CSV generated by the Python script

approved_drugs.csv

compound_chembl_id,canonical_smiles,molregno,structure_type,first_in_class,indication_class,first_approval
CHEMBL1000,O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,111185,MOL,0,Antihistaminic,1995.0
CHEMBL100116,CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C,165474,MOL,0,,1967.0
CHEMBL1002,CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1,111482,MOL,0,Bronchodilator; Asthma Prophylactic,1999.0
CHEMBL100259,O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1,161181,MOL,0,,
CHEMBL1003,O=C([O-])[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21.[K+],111491,MOL,0,Inhibitor (beta-lactamase),1984.0
CHEMBL1004,CN(C)CCOC(C)(c1ccccc1)c1ccccn1,111498,MOL,0,Antihistaminic,1948.0
CHEMBL1005,CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC)CC1,111871,MOL,0,Analgesic,1996.0
CHEMBL1006,NCCCNCCSP(=O)(O)O,112480,MOL,0,Protectant (topical); Radioprotector,1995.0
CHEMBL1007,CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O,112560,BOTH,0,Gonad-Stimulating Principle,1982.0
CHEMBL1008,CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1,112651,MOL,0,Vasodilator,1990.0
CHEMBL1009,N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O,112655,MOL,0,Antiparkinsonian,1970.0
CHEMBL101,CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,12417,MOL,0,Antirheumatic,1980.0
CHEMBL1010,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)n1.[Na+],112665,MOL,0,Antibacterial,1981.0
CHEMBL101253,Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1,165012,MOL,0,,
CHEMBL1013,N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1,114480,MOL,0,Antibacterial,1991.0
CHEMBL1014,CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,116349,MOL,0,Antagonist (angiotensin II receptor); Antihypertensive,1998.0
CHEMBL1015,Cc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c2c1O,116659,MOL,0,,
CHEMBL1016,CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,116848,MOL,0,Antihypertensive; Antagonist (angiotensin II receptor),
CHEMBL1017,CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,116949,MOL,0,Antagonist (angiotensin II receptor); Antihypertensive,1998.0
CHEMBL1018,C/C=C(C(=C/C)/c1ccc(O)cc1)\c1ccc(O)cc1,117108,MOL,0,Estrogen,1947.0
CHEMBL1020,Cc1ccc(C(=O)c2ccc(CC(=O)O)n2C)cc1,118617,MOL,0,Anti-Inflammatory,1976.0
CHEMBL1021,NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N,119162,MOL,0,,2005.0
CHEMBL1023,C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,119498,MOL,0,,1999.0
CHEMBL1024,O=P1(NCCCl)OCCCN1CCCl,119640,MOL,0,Antineoplastic,1988.0
CHEMBL1025,CC(C)OP(=O)(F)OC(C)C,119717,MOL,0,Cholinergic (ophthalmic),1957.0
CHEMBL1026,CS(=O)(=O)O.Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1,121124,MOL,0,Dopamine Agonist; Antihypertensive,1997.0
CHEMBL1027,Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C,122170,MOL,0,Anticonvulsant,1997.0
CHEMBL1029,CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,122901,MOL,1,,2003.0
CHEMBL102970,Cc1ncc(CO)c(C=O)c1O,169111,MOL,0,,
CHEMBL103,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,12825,MOL,0,Progestin,1976.0
CHEMBL10316,c1ccc2c(c1)OCC(C1=NCCN1)O2,6784,MOL,0,,
CHEMBL1034,O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+],123693,MOL,0,Anti-Inflammatory,1988.0
CHEMBL1037,N=C(N)NCC1COC2(CCCCC2)O1,123976,MOL,0,Antihypertensive,1982.0
CHEMBL104,Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1,13494,MOL,0,Antifungal,1975.0
CHEMBL1040,C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O,125261,MOL,0,Regulator (calcium),1980.0
CHEMBL1042,C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C,125294,MOL,0,Vitamin (antirachitic),1999.0
CHEMBL1043,Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1,126356,MOL,0,Antibacterial (leprostatic); Suppressant (dermatitis herpetiformis),1979.0
CHEMBL1046,NCCCCCC(=O)O,127755,MOL,0,Hemostatic,1964.0
CHEMBL105,CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12,13590,MOL,0,Antineoplastic,1981.0
CHEMBL1051,CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1,132003,MOL,0,Antiglaucoma Agent,1996.0
CHEMBL1054,NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O,134100,MOL,0,Diuretic; Antihypertensive,1960.0
CHEMBL1055,NS(=O)(=O)c1cc(C2(O)NC(=O)c3ccccc32)ccc1Cl,134333,MOL,0,Diuretic,1960.0
CHEMBL1059,CC(C)C[C@H](CN)CC(=O)O,136161,MOL,0,Anticonvulsant,2004.0
CHEMBL106,OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F,13758,MOL,0,Antifungal,1990.0
CHEMBL1060,O=P([O-])([O-])O.[Na+].[Na+],136282,MOL,0,"Diagnostic Aid (neoplasm); Antineoplastic; Radioactive Agent; Antipolycythemic,Laxative",1957.0
CHEMBL1064,CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,138562,MOL,0,Antihyperlipidemic,1991.0
CHEMBL1067,NC(=O)N1c2ccccc2CC(O)c2ccccc21,138950,MOL,0,,
CHEMBL1068,NC(=O)N1c2ccccc2CC(=O)c2ccccc21,139014,MOL,0,,2000.0
CHEMBL1069,CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C,139045,MOL,0,Antihypertensive,1996.0
CHEMBL107,COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2,14440,MOL,0,Suppressant (gout),1961.0
CHEMBL1070,COc1ccc2cc(CCC(C)=O)ccc2c1,139210,MOL,0,Anti-Inflammatory,1991.0
CHEMBL1071,O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1,139225,MOL,0,Anti-Inflammatory,1992.0
CHEMBL1072,CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1,139281,MOL,0,Diuretic,1983.0
CHEMBL1073,Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1,139286,MOL,0,Antidiabetic,1984.0
CHEMBL1075,CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2,139866,MOL,0,Cardiac Depressant (anti-arrhythmic),1990.0
CHEMBL1075733,CCC(C)C(CC)C(N)=O,610416,MOL,0,Tranquilizer,
CHEMBL1076211,Cc1ccc(C(=O)C(C)CN2CCCCC2)cc1,611591,MOL,0,,
CHEMBL1076347,O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1,612198,MOL,0,Disinfectant,
CHEMBL1077,Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1,140107,MOL,0,Analgesic,1997.0
CHEMBL1077896,CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C,618203,MOL,0,,1996.0
CHEMBL1078178,N#CCNC(=O)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1,617563,MOL,0,,
CHEMBL1078261,CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1,618127,MOL,0,,
CHEMBL1078549,C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@@H]3C[C@@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,617883,MOL,0,,
CHEMBL1079,Clc1ccc2nsnc2c1NC1=NCCN1,140117,MOL,0,Antispasmodic,1996.0
CHEMBL1079604,Cc1cc(C)cc(OCC2CNC(=O)O2)c1,611679,MOL,0,Relaxant (skeletal muscle),1962.0
CHEMBL1079742,C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.Cl,611647,MOL,0,,2004.0
CHEMBL108,NC(=O)N1c2ccccc2C=Cc2ccccc21,15086,MOL,0,Analgesic; Anticonvulsant,1968.0
CHEMBL108030,CCCCCCCCCCC(=O)O,178483,MOL,0,,
CHEMBL1082,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O,143284,MOL,0,Antibacterial,1974.0
CHEMBL1082407,CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F,630886,MOL,0,,2012.0
CHEMBL1082607,O=C(O)c1ccc2ccccc2c1O.OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O,631502,MOL,0,Bronchodilator,1994.0
CHEMBL1083385,COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.O=S(=O)(O)O,630396,MOL,0,Inhibitor (platelet),1997.0
CHEMBL1083390,O=S(=O)(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1,630553,MOL,0,,
CHEMBL1083659,Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CC[C@H]2C)c1,630322,MOL,1,,2014.0
CHEMBL1083993,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl,630439,MOL,0,,1985.0
CHEMBL1084172,O=C(O)C(c1ccccc1)(c1ccccc1)c1ccccc1.OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O,631810,MOL,0,,2013.0
CHEMBL1085,CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2,147927,MOL,0,Antipsychotic,1961.0
CHEMBL108545,COC(=O)c1ccccc1O,178495,MOL,0,Pharmaceutic Aid (flavor),2008.0
CHEMBL1085699,COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1c1cccc([N+](=O)[O-])c1,630356,MOL,0,,
CHEMBL1086,CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1,147956,MOL,0,Anesthetic (local),1982.0
CHEMBL1086218,C/C=C/C[C@@H](C)C(=O)[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C,631325,BOTH,0,,
CHEMBL1086440,CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1,630539,MOL,0,,2019.0
CHEMBL1086863,OC[C@H]1O[C@H](O)[C@H](F)[C@@H](O)[C@@H]1O,613911,MOL,0,,1994.0
CHEMBL1086997,CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO,613996,MOL,0,,
CHEMBL1087,Cc1cccc(C)c1NC(=O)C1CCCCN1C,147981,MOL,0,Anesthetic (local),1960.0
CHEMBL10878,COc1ccc2cccc(CCNC(C)=O)c2c1,8209,MOL,0,,
CHEMBL1088,CN1CCCCC1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21,148004,MOL,0,Antipsychotic,1970.0
CHEMBL1088750,CC(C)Cn1ncc2cc(Oc3ccc(F)cc3F)c(C(=O)NCCN(C)C)cc21,619398,MOL,0,,
CHEMBL1088752,Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC(C)(C)C)cn1,619400,MOL,0,,
CHEMBL1088977,C[S+](CC[C@H](N)C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,621368,MOL,0,,
CHEMBL1089,NNCCc1ccccc1,148018,MOL,0,Antidepressant,1961.0
CHEMBL1089221,O=C(O)COc1nn(Cc2ccccc2)c2ccccc12,621308,MOL,0,Anti-Inflammatory,1984.0
CHEMBL1089318,Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1,622408,MOL,0,,2020.0
CHEMBL1089636,CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](OC(=O)CCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)CCC(=O)O[C@@H](C(=O)O[C@H]3C[C@@]4(O)[C@@H](OC(=O)c5ccccc5)[C@H]5[C@](C)(C(=O)[C@H](OC(C)=O)C(=C3C)C4(C)C)[C@@H](O)C[C@H]3OC[C@]35OC(C)=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCNC(=O)CCC(=O)O[C@@H](C(=O)O[C@H]3C[C@@]4(O)[C@@H](OC(=O)c5ccccc5)[C@H]5[C@](C)(C(=O)[C@H](OC(C)=O)C(=C3C)C4(C)C)[C@@H](O)C[C@H]3OC[C@]35OC(C)=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)[C@@H](C)O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C,621486,MOL,0,,
CHEMBL1089641,Cc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(C)c2)ccc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O,622436,MOL,0,,2004.0
CHEMBL109,CCCC(CCC)C(=O)O,15217,MOL,0,Anticonvulsant,1978.0
CHEMBL1090,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,149095,MOL,0,Antiviral,1976.0
CHEMBL1091,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,150313,MOL,0,Glucocorticoid,1951.0
CHEMBL1091644,C[C@]1(O)C[C@@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn32)C1,623658,MOL,0,,
CHEMBL1092,Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1,150389,MOL,0,Anticholinergic; Antiparkinsonian,1949.0
CHEMBL1092067,OC[C@H]1O[C@H](O)[C@H]([18F])[C@@H](O)[C@@H]1O,622931,MOL,0,,1994.0
CHEMBL1093,CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC,150423,MOL,0,,2000.0
CHEMBL1093458,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCNC)cc1)c1ccccc1,620890,MOL,0,,
CHEMBL1094,NC(=O)OCC(COC(N)=O)c1ccccc1,150451,MOL,0,Anti-Epileptic,1993.0
CHEMBL1094636,NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12,624225,MOL,1,,2017.0
CHEMBL109480,C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O,183934,MOL,0,,
CHEMBL1094966,CC(C)(C)NCC(O)c1ccc(O)c(CO)n1,624172,MOL,0,Bronchodilator,1986.0
CHEMBL1095,CCN1C(=O)NC(c2ccccc2)C1=O,150452,MOL,0,Anticonvulsant,1957.0
CHEMBL1095097,COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13,626453,MOL,0,Antihypertensive; Aldosterone Antagonist,2002.0
CHEMBL1095283,CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccccc3)c3ccccc3)C(=O)N2[C@H]1C(=O)O,624269,MOL,0,Antibacterial,
CHEMBL1095292,CC[N+](C)(C)Cc1ccccc1Br.Cc1ccc(S(=O)(=O)[O-])cc1,624251,MOL,0,Cardiac Depressant (anti-arrhythmic); Anti-Adrenergic,1986.0
CHEMBL1095607,Cn1c(=O)c2c(ncn2CCCNCC(O)c2cc(O)cc(O)c2)n(C)c1=O,624233,MOL,0,Bronchodilator,
CHEMBL1095777,CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2,625589,MOL,0,,2011.0
CHEMBL1095930,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(C)OC(C)=O)=C(COC(N)=O)CS[C@H]12)c1ccco1,624296,MOL,0,Antibacterial,1987.0
CHEMBL1096,CC(C)c1ccc2oc3nc(N)c(C(=O)O)cc3c(=O)c2c1,150549,MOL,0,Anti-Allergic,1996.0
CHEMBL1096146,CCC/N=C1\S/C(=C\c2ccc(OC[C@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C,628156,MOL,0,,2021.0
CHEMBL1096380,CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O,625898,MOL,0,,
CHEMBL109648,COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(-c3nn[nH]n3)c2)nc1OCCO,182389,MOL,0,,
CHEMBL1096562,COC(=O)CCC(=O)CN,624125,MOL,0,,2004.0
CHEMBL1096882,Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O,624161,MOL,0,Antineoplastic,1991.0
CHEMBL1096885,CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O,624185,MOL,0,,1998.0
CHEMBL1096979,NC(CO)C(=O)NNCc1ccc(O)c(O)c1O,627070,MOL,0,Inhibitor (decarboxylase),
CHEMBL1097235,NS(=O)(=O)c1cc(-c2nn[nH]n2)c(NCc2cccs2)cc1Cl,624231,MOL,0,Diuretic,
CHEMBL1097279,CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])C(Cl)(Cl)P(=O)([O-])[O-])[C@@H](O)[C@H]1O.[Na+].[Na+].[Na+].[Na+],626138,MOL,0,,2015.0
CHEMBL1097615,CC#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O,624081,MOL,0,,
CHEMBL1097620,CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I.[Na+],624171,MOL,0,Diagnostic Aid (radiopaque medium),
CHEMBL1098,CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C,150882,MOL,0,Anesthetic (local),1972.0
CHEMBL1098285,CN(CCCCCCN(C)C(=O)Oc1ccc[n+](C)c1)C(=O)Oc1ccc[n+](C)c1.[Br-].[Br-],624468,MOL,0,,
CHEMBL1098659,O,627419,MOL,0,"Diagnostic Aid (radioactive, vascular disorders); Radioactive Agent,Radioactive Agent",2011.0
CHEMBL11,CN(C)CCCN1c2ccccc2CCc2ccccc21,605,MOL,0,Antidepressant,1959.0
CHEMBL110,O=C(Cn1ccnc1[N+](=O)[O-])NCc1ccccc1,15890,MOL,0,,2017.0
CHEMBL1100,CCC1(C)OC(=O)N(C)C1=O,150989,MOL,0,,1949.0
CHEMBL110094,CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21,176875,MOL,0,Antidepressant,
CHEMBL1101,OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,151063,MOL,0,"Anticholinergic; Antiparkinsonian,Antiparkinsonian; Anticholinergic",1959.0
CHEMBL1102,CCC1(c2ccccc2)CCC(=O)NC1=O,151300,MOL,0,Sedative-Hypnotic,1976.0
CHEMBL1103,O=C1OCCN1/N=C/c1ccc([N+](=O)[O-])o1,151310,MOL,0,"Anti-Infective, Topical; Antiprotozoal (trichomonas, topical)",1958.0
CHEMBL1104,CC[N+](C)(C)c1cccc(O)c1,151408,MOL,0,Antidote (to curare principles); Diagnostic Aid (myasthenia gravis),1951.0
CHEMBL110458,OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O,178290,MOL,1,,2018.0
CHEMBL1106,NC1=NCC2c3ccccc3Cc3ccccc3N12,152610,MOL,0,,2003.0
CHEMBL110691,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,182928,MOL,0,Progestin,
CHEMBL1107,CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12,152728,MOL,0,Antimalarial,1992.0
CHEMBL110739,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO,182165,MOL,0,,
CHEMBL1108,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,152751,MOL,0,Antipsychotic,1970.0
CHEMBL1109,Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1,153330,MOL,0,,1982.0
CHEMBL111,Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,16088,MOL,0,,2006.0
CHEMBL1110,Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O,153342,MOL,0,Anti-Emetic,2000.0
CHEMBL1111,COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O,154051,MOL,0,,2007.0
CHEMBL1112,O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,155006,MOL,0,Antipsychotic; Antischizophrenic,2002.0
CHEMBL111272,N=C(N)NCc1cccc(F)c1,200516,MOL,0,,
CHEMBL1113,Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,155045,MOL,0,Antidepressant,1980.0
CHEMBL1114,Cn1cnc2c1c(=O)[nH]c(=O)n2C,155584,MOL,0,,
CHEMBL1115,CN(C)C(=O)Oc1ccc[n+](C)c1,157330,MOL,0,Cholinergic,1955.0
CHEMBL1116,Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,158276,MOL,0,Anti-Estrogen,1997.0
CHEMBL1117,CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O,158277,MOL,0,Antineoplastic,1990.0
CHEMBL1118,CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1,161281,MOL,0,,2008.0
CHEMBL111861,C[C@]12CC(=O)[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,182920,MOL,0,,
CHEMBL112,CC(=O)Nc1ccc(O)cc1,16450,MOL,0,Analgesic; Antipyretic,1968.0
CHEMBL1120,,161649,NONE,0,Antidiarrheal; Anti-Ulcerative; Antacid,1996.0
CHEMBL1121,CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,164064,BOTH,0,Choleretic,1976.0
CHEMBL1123,CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1,165774,MOL,0,Anticholinergic,1950.0
CHEMBL112302,O=[Se]([O-])[O-].[Na+].[Na+],185238,MOL,0,,
CHEMBL112570,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,182921,MOL,0,Pharmaceutic Aid (emulsifying agent),
CHEMBL1126,CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+],167260,MOL,0,Antibacterial,1988.0
CHEMBL1128,CC[N+](C)(C)c1cccc(O)c1.[Cl-],167875,MOL,0,Antidote (to curare principles); Diagnostic Aid (myasthenia gravis),1951.0
CHEMBL1129,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F,169321,MOL,0,Antiviral (ophthalmic),1980.0
CHEMBL11298,N[C@@H](CO)C(=O)O,9413,MOL,0,Amino Acid,
CHEMBL113,Cn1c(=O)c2c(ncn2C)n(C)c1=O,16485,MOL,0,Stimulant (central),1948.0
CHEMBL1130,C[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O,169379,MOL,0,,
CHEMBL1131,COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C,169652,MOL,0,Antipsoriatic,1996.0
CHEMBL113150,CCCCCCCCCCCCCC[N+](C)(C)C.[Br-],182325,MOL,0,,
CHEMBL113178,C[Se]CC[C@H](N)C(=O)O,184737,MOL,0,Diagnostic Aid (pancreas function determination); Radioactive Agent,1973.0
CHEMBL1133,CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl,170395,MOL,0,Anticholinergic,1975.0
CHEMBL1134,C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-],171062,MOL,0,,1982.0
CHEMBL11359,,8633,NONE,0,Antineoplastic,1978.0
CHEMBL1136,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C,171587,MOL,0,,2004.0
CHEMBL1138,O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1,175106,MOL,0,,2002.0
CHEMBL1139,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)O)C[C@@H]21,175331,MOL,0,Inhibitor (platelet),1995.0
CHEMBL114,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1,17169,MOL,0,Antiviral,1995.0
CHEMBL1140,NC(=O)c1cccnc1,175447,MOL,0,Vitamin (enzyme co-factor),
CHEMBL1141,[I-].[K+],178545,MOL,0,Supplement (iodine); Expectorant; Antifungal,1979.0
CHEMBL1144,CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21,178796,MOL,0,Antihyperlipidemic,1991.0
CHEMBL1146,Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](O)c3ccccc3)[C@H]2SC1,180228,MOL,0,Antibacterial,
CHEMBL1148,Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1,180329,MOL,0,Diuretic,1993.0
CHEMBL1149,C[N+](C)(C)C[C@H](O)CC(=O)[O-],181939,MOL,0,Replenisher (carnitine),1985.0
CHEMBL115,CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O,17170,MOL,0,Antiviral,1996.0
CHEMBL1152,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,182546,MOL,0,Glucocorticoid,1955.0
CHEMBL1159,CC(N/C(=N\C#N)Nc1ccncc1)C(C)(C)C,187515,MOL,0,Antihypertensive,1989.0
CHEMBL1159650,CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,641189,MOL,0,Anti-Inflammatory,1985.0
CHEMBL1159717,CC(C)(C)NCC(O)c1ccccc1Cl,641256,MOL,0,,
CHEMBL116,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1,17347,MOL,0,,1999.0
CHEMBL11608,NCCc1ccc(O)cc1,9060,MOL,0,,
CHEMBL1160819,N,642358,MOL,0,"Pharmaceutic Aid (solvent and source of ammonia),Radioactive Agent; Diagnostic Aid (cardiac imaging); Diagnostic Aid (liver imaging)",2007.0
CHEMBL1161,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl,187696,MOL,0,Steroid (topical),1987.0
CHEMBL1161632,O=C(O)O,643171,MOL,0,,
CHEMBL1161681,O=NO,643220,MOL,0,Antidote (to cyanide poisoning),2011.0
CHEMBL1162,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,187962,MOL,0,Progestin,1962.0
CHEMBL1163,COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C,188196,MOL,0,,2003.0
CHEMBL116438,COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O,190171,MOL,0,,
CHEMBL1164729,Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O,647206,MOL,0,,2009.0
CHEMBL1165,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O,188707,MOL,0,Antihypertensive; Enzyme Inhibitor (angiotensin-converting),1995.0
CHEMBL1165268,O=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I,646449,MOL,0,"Diagnostic Aid (radiopaque medium),Radioactive Agent",
CHEMBL1165342,CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@](O)(C(=O)OC)C1)[C@@H]32,644928,MOL,0,,
CHEMBL1166,CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1,188815,MOL,0,Anticoagulant,2000.0
CHEMBL11662,O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1,9623,MOL,0,,
CHEMBL1167,CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@H]12,189099,MOL,0,Antibacterial,1971.0
CHEMBL1168,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21,189203,MOL,0,Enzyme Inhibitor (angiotensin-converting); Antihypertensive,1991.0
CHEMBL1169,Nc1ccc(C(=O)O)c(O)c1,190484,MOL,0,Antibacterial (tuberculostatic),1950.0
CHEMBL1170,CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,190629,MOL,0,Androgen,1974.0
CHEMBL1170047,NC(=O)c1ccc(I)c([N+](=O)[O-])c1,651089,MOL,0,,
CHEMBL1171829,C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1)C(F)(F)F,649450,MOL,0,,
CHEMBL1171837,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12,649637,MOL,0,,2012.0
CHEMBL1172,Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1,191342,MOL,0,,2001.0
CHEMBL117287,COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1,191172,MOL,0,,2018.0
CHEMBL1173055,CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1,651088,MOL,0,,2016.0
CHEMBL117348,Nc1nc(=O)c2c([nH]1)NCC1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21,192598,MOL,0,,
CHEMBL1173655,CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1,650126,MOL,0,,2013.0
CHEMBL1174,N=C(N)NCCCC[C@@H]1NC(=O)CCSSC[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O,191902,MOL,0,,1998.0
CHEMBL1175,CNCC[C@H](Oc1cccc2ccccc12)c1cccs1,192908,MOL,0,Antidepressant,2004.0
CHEMBL1177,NC1=NC(=O)C(c2ccccc2)O1,193096,MOL,0,Stimulant (central),1975.0
CHEMBL117785,COc1cc2c(cc1OC)C1CC(=O)C(CC(C)C)CN1CC2,193281,MOL,0,,2008.0
CHEMBL117822,C=C,190956,MOL,0,,
CHEMBL1179047,CCN(CC)CCOC(=O)c1ccc(N)cc1Cl,652997,MOL,0,Anesthetic (local),1955.0
CHEMBL118,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1,18694,MOL,0,,1998.0
CHEMBL1180003,CCCCCCCCCCCCCC[N+](C)(C)C,653953,MOL,0,,
CHEMBL1180725,CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C,654675,MOL,0,Anticholinergic,1953.0
CHEMBL118218,CC1=C(CO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1,197166,MOL,0,,
CHEMBL1182833,COc1cc2c(cc1OC)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2,656783,MOL,0,Neuromuscular Blocking Agent,1992.0
CHEMBL1183349,CNCC(=O)OCc1cccnc1N(C)C(=O)OC(C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1,657299,MOL,0,,2015.0
CHEMBL1183717,C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1,657667,MOL,0,,
CHEMBL1184,CC(=O)OCC[N+](C)(C)C.[Cl-],195974,MOL,0,Vasodilator (peripheral); Cardiac Depressant; Miotic; Cholinergic,1973.0
CHEMBL1184360,CCN(CC)CCOc1ccc2nc(N(C)C)sc2c1,658310,MOL,0,,
CHEMBL1184904,C=CCNc1c(O)cc2c(O)c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)N2,658854,MOL,0,,
CHEMBL1185,CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12,196215,MOL,0,Antimigraine,1997.0
CHEMBL1185568,CCN1C(=CC=CC=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21,659518,MOL,0,,
CHEMBL1186579,C[N+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,660529,MOL,0,,2008.0
CHEMBL1186610,CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C,660560,MOL,0,Anticholinergic,1962.0
CHEMBL1186894,CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O,660844,MOL,0,,
CHEMBL1187,O=P(O)(O)O,199357,MOL,0,Pharmaceutic Aid (solvent),
CHEMBL1187011,CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1,660961,MOL,0,"Anti-Infective, Topical",
CHEMBL1187417,CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1,661367,MOL,0,Pharmaceutic Aid (preservative),
CHEMBL1187724,C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2,661674,MOL,0,Anticholinergic,
CHEMBL1187833,OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2,661783,MOL,0,,2013.0
CHEMBL1189,CCNCC,199817,MOL,0,,
CHEMBL1189432,CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21,663382,MOL,0,Anti-Allergic,1996.0
CHEMBL1189679,O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2,663629,MOL,0,Antinauseant; Anti-Emetic,2003.0
CHEMBL119,COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC,19101,MOL,0,Antineoplastic,1993.0
CHEMBL1190,C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C,203048,MOL,0,,1982.0
CHEMBL1190199,CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccccc1,664149,MOL,0,,
CHEMBL1191,Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,204115,MOL,0,Antibacterial,1953.0
CHEMBL1193,CN(C)CCC(c1ccccc1)c1ccccn1,208661,MOL,0,,1994.0
CHEMBL1193948,CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2,667898,MOL,0,,
CHEMBL1194,CCCNC(C)C(=O)Nc1ccccc1C,208749,MOL,0,Anesthetic (local),1965.0
CHEMBL119423,Sc1[nH]cnc2nncc1-2,193277,MOL,0,,
CHEMBL1194325,O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1,668275,MOL,0,,2012.0
CHEMBL119443,C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,196351,MOL,0,Oxytocic,
CHEMBL1194666,CCN(CC)C(C)C(=O)c1ccccc1,668616,MOL,0,Anorexic,1959.0
CHEMBL1195,CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC,208978,MOL,0,Anesthetic (local),1982.0
CHEMBL1196,CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N,209007,MOL,0,"Anesthetic (topical, ophthalmic)",1953.0
CHEMBL119604,OCCNCCO,195479,MOL,0,Pharmaceutic Aid (alkalizing agent),
CHEMBL1197,CC(CNC1CCCCC1)OC(=O)c1ccccc1,209162,MOL,0,,1982.0
CHEMBL1197051,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1,671001,MOL,0,Vasodilator,
CHEMBL1198,CCCCOc1ccc(OCCCN2CCOCC2)cc1,209224,MOL,0,Anesthetic (topical),1976.0
CHEMBL1198857,OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O,672807,MOL,0,,2013.0
CHEMBL1199080,CC[N+](C)(C)Cc1ccccc1Br,673030,MOL,0,Cardiac Depressant (anti-arrhythmic); Anti-Adrenergic,1986.0
CHEMBL1199307,CN(CCCCCCN(C)C(=O)Oc1ccc[n+](C)c1)C(=O)Oc1ccc[n+](C)c1,673257,MOL,0,,
CHEMBL1199324,C[C@@H](O[C@H]1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,673274,MOL,0,,2008.0
CHEMBL12,CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21,721,MOL,0,Sedative-Hypnotic,1963.0
CHEMBL1200,CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N,209594,MOL,0,Anesthetic (topical),1982.0
CHEMBL1200321,Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C.OCCNCCO,674272,MOL,0,Antibacterial,1982.0
CHEMBL1200322,CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21.O=C(O)C(=O)O,674273,MOL,0,,2002.0
CHEMBL1200323,CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1.Cl,674274,MOL,0,Anti-Adrenergic (beta-receptor); Anti-Adrenergic (alpha-receptor),1984.0
CHEMBL1200326,COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1.Cl,674277,MOL,0,Vasodilator,1988.0
CHEMBL1200328,CNCC[C@H](Oc1cccc2ccccc12)c1cccs1.Cl,674279,MOL,0,Antidepressant,2004.0
CHEMBL1200329,Cl.Clc1ccc2nsnc2c1NC1=NCCN1,674280,MOL,0,Antispasmodic,1996.0
CHEMBL1200330,CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C.Cl,674281,MOL,0,Cholinergic (ophthalmic),1984.0
CHEMBL1200331,C[C@@H]1O[C@@H]1P(=O)(O)O.NC(CO)(CO)CO,674282,MOL,0,Antibacterial,1996.0
CHEMBL1200332,CNCCCC1c2ccccc2C=Cc2ccccc21.Cl,674283,MOL,0,Antidepressant,1967.0
CHEMBL1200333,,674284,NONE,0,Radioactive Agent,
CHEMBL1200334,CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1S2.Cl,674285,MOL,0,,1990.0
CHEMBL1200335,CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,674286,MOL,0,Androgen,1953.0
CHEMBL1200338,CC(N/C(=N\C#N)Nc1ccncc1)C(C)(C)C.O,674289,MOL,0,Antihypertensive,1989.0
CHEMBL1200339,CNC[C@H](O)c1cccc(O)c1.Cl,674290,MOL,0,Adrenergic (ophthalmic),1952.0
CHEMBL1200340,CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1.O=P(O)(O)O,674291,MOL,0,,1999.0
CHEMBL1200341,CC(C)NCCCC1(C(N)=O)c2ccccc2-c2ccccc21.Cl,674292,MOL,0,Cardiac Depressant (anti-arrhythmic),1989.0
CHEMBL1200342,CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,674293,MOL,0,Glucocorticoid,1982.0
CHEMBL1200343,CC(C)(C)N.CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC,674294,MOL,0,Antihypertensive,1993.0
CHEMBL1200345,O=C([O-])CCC(=O)O.[Na+],674296,MOL,0,,
CHEMBL1200346,,674297,NONE,0,"Diagnostic Aid (paramagnetic, brain disorders, spine disorders)",1993.0
CHEMBL1200347,CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C.[I-],674298,MOL,0,Anticholinergic,1957.0
CHEMBL1200348,Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O,674299,MOL,0,Antifungal,1985.0
CHEMBL1200350,O=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)[O-])c1I)Nc1c(I)cc(I)c(C(=O)[O-])c1I.[Na+].[Na+],674301,MOL,0,,
CHEMBL1200351,Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Na+],674302,MOL,0,Antibacterial,1941.0
CHEMBL1200353,CC(=O)Nc1c(I)c(C(=O)O)c(I)c(N(C)C(C)=O)c1I.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,674304,MOL,0,,
CHEMBL1200354,CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-].[Na+],674305,MOL,0,,1946.0
CHEMBL1200356,CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O,674307,MOL,0,Antibacterial,1979.0
CHEMBL1200357,CO[C@@]1(NC(=O)C(C(=O)[O-])c2ccc(O)cc2)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CO[C@@H]21.[Na+].[Na+],674308,MOL,0,Anti-Infective,1982.0
CHEMBL1200358,O=C([O-])Cc1ccccc1.[Na+],674309,MOL,0,Antihyperammonemic,1987.0
CHEMBL1200359,COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1,674310,MOL,0,Antibacterial,1966.0
CHEMBL1200360,CC(C)NC(C)Cc1ccc([123I])cc1.Cl,674311,MOL,0,Radioactive Agent; Diagnostic Aid,1987.0
CHEMBL1200365,Nc1ccc(C(=O)NCC(=O)[O-])cc1.[Na+],674316,MOL,0,Diagnostic Aid (renal function determination),
CHEMBL1200366,CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1.Cl.O,674317,MOL,0,Antibacterial,1987.0
CHEMBL1200367,CCOP(=O)(OCC)SCC[N+](C)(C)C.[I-],674318,MOL,0,Cholinergic (ophthalmic),1960.0
CHEMBL1200368,O=C(O)c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1,674319,MOL,0,Diagnostic Aid (pancreas function determination),1983.0
CHEMBL1200370,O=C(OOC(=O)c1ccccc1)c1ccccc1,674321,MOL,0,Keratolytic,1984.0
CHEMBL1200374,C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12,674325,MOL,0,,1999.0
CHEMBL1200375,O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+],674326,MOL,0,Chelating Agent (metal),1953.0
CHEMBL1200376,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccccc1)C(=O)CO,674327,MOL,0,Glucocorticoid,1982.0
CHEMBL1200377,CC(N)Cc1ccccc1.NC(CC(=O)O)C(=O)O,674328,MOL,0,,1996.0
CHEMBL1200379,Cl.Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1,674330,MOL,0,Adrenergic (alpha12-agonist),1987.0
CHEMBL1200380,Nc1nc([O-])c2ncn(COCCO)c2n1.[Na+],674331,MOL,0,Antiviral,1982.0
CHEMBL1200381,Cl.N=C(N)NCCC[C@H](N)C(=O)O,674332,MOL,0,Ammonia Detoxicant,
CHEMBL1200382,CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1.Cl.O,674333,MOL,0,Vasodilator,1990.0
CHEMBL1200383,CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2.CS(=O)(=O)O,674334,MOL,0,Antiparkinsonian,1954.0
CHEMBL1200384,CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,674335,MOL,0,Glucocorticoid,1975.0
CHEMBL1200385,Cl.Oc1ccc(CCCCNC[C@H](O)c2ccc(O)c(O)c2)cc1,674336,MOL,0,Stimulant (cardiac),1997.0
CHEMBL1200386,CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,674337,MOL,0,Glucocorticoid,1991.0
CHEMBL1200387,CC(N)Cc1ccccc1.O=C(O)CCCCC(=O)O,674338,MOL,0,,1975.0
CHEMBL1200388,Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+],674339,MOL,0,Antibacterial,1974.0
CHEMBL1200391,NC(CO)(CO)CO,674342,MOL,0,Alkalizer,1965.0
CHEMBL1200392,CN(C)CCOC(C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O,674343,MOL,0,Antihistaminic,1948.0
CHEMBL1200393,Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1.Cl,674344,MOL,0,Antibacterial,1997.0
CHEMBL1200395,Cc1ccccc1C(OCCN(C)C)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,674346,MOL,0,Antihistaminic; Relaxant (skeletal muscle),1959.0
CHEMBL1200396,CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl,674347,MOL,0,Anesthetic (local),1972.0
CHEMBL1200397,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12.Cl,674348,MOL,0,Antifungal,1996.0
CHEMBL1200398,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1.O=[N+]([O-])O,674349,MOL,0,Antifungal,1985.0
CHEMBL1200399,Cl.O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,674350,MOL,0,Tranquilizer (minor),1986.0
CHEMBL1200400,Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[n-]c12.[Na+],674351,MOL,0,Immunosuppressant,1974.0
CHEMBL1200402,CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=S(=O)(O)c1ccccc1,674353,MOL,0,Antihypertensive; Anti-Anginal,1992.0
CHEMBL1200405,CS(=O)(=O)O.Cc1ccc(C(=O)Oc2ccc(C(O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1,674356,MOL,0,Bronchodilator,1984.0
CHEMBL1200406,CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O,674357,MOL,0,Anti-Emetic,1972.0
CHEMBL1200409,CCN(CC)CC(=O)Nc1c(C)cccc1C.Cl.O,674360,MOL,0,Anesthetic (local),1948.0
CHEMBL1200410,CNNCc1ccc(C(=O)NC(C)C)cc1.Cl,674361,MOL,0,Antineoplastic,1969.0
CHEMBL1200411,CCCN(CCC)CCc1cccc2c1CC(=O)N2.Cl,674362,MOL,0,Antiparkinsonian (D2 receptor agonist),1997.0
CHEMBL1200412,C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1,674363,MOL,0,Androgen,1959.0
CHEMBL1200413,Cl.c1ccc2c(c1)CCCC2C1=NCCN1,674364,MOL,0,Adrenergic (vasoconstrictor),1979.0
CHEMBL1200415,,674366,NONE,0,Radioactive Agent; Diagnostic Aid (skeletal imaging),
CHEMBL1200418,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1.Cl,674369,MOL,0,Cardiotonic,1978.0
CHEMBL1200419,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2.Cl,674370,MOL,0,Antipsychotic,1974.0
CHEMBL1200420,Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2.Cl,674371,MOL,0,Anesthetic (injectable),1985.0
CHEMBL1200421,,674372,NONE,0,Radioactive Agent,1987.0
CHEMBL1200423,CC(=O)Nc1c(I)c(C(=O)[O-])c(I)c(N(C)C(C)=O)c1I.[Na+],674374,MOL,0,Diagnostic Aid (radiopaque medium),
CHEMBL1200424,O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Zn+2],674375,MOL,0,,2004.0
CHEMBL1200425,C#CCN(C)Cc1ccccc1.Cl,674376,MOL,0,Antihypertensive,1982.0
CHEMBL1200426,CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1.Cl.O,674377,MOL,0,Relaxant (smooth muscle),1982.0
CHEMBL1200430,CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,674381,MOL,0,,2003.0
CHEMBL1200431,,674382,NONE,0,Diagnostic Aid,1988.0
CHEMBL1200432,CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1.Cl,674383,MOL,0,Antihypertensive,1962.0
CHEMBL1200434,C[N+](C)(C)CCO.Cn1c(=O)c2[n-]cnc2n(C)c1=O,674385,MOL,0,Bronchodilator,1981.0
CHEMBL1200436,C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,674387,MOL,0,Androgen,1964.0
CHEMBL1200437,C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,674388,MOL,0,Cardiac Depressant (anti-arrhythmic),1950.0
CHEMBL1200438,Clc1ccc(C(Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1,674389,MOL,0,Antifungal,1983.0
CHEMBL1200439,O=C([O-])CNC(=O)c1ccccc1[123I].[Na+],674390,MOL,0,Radioactive Agent; Diagnostic Aid (renal function determination),1984.0
CHEMBL1200440,Cc1cccc(C)c1NC(=O)C1CCCCN1C.Cl,674391,MOL,0,Anesthetic (local),1960.0
CHEMBL1200443,,674394,NONE,0,,
CHEMBL1200444,CC(=O)O.CC(C)(C)NCC(O)c1ccc(O)c(CO)n1,674395,MOL,0,Bronchodilator,1986.0
CHEMBL1200446,CN(C)CCN(Cc1ccccc1)c1ccccn1.Cl,674397,MOL,0,Antihistaminic,1948.0
CHEMBL1200448,O=P([O-])(O)C(Sc1ccc(Cl)cc1)P(=O)([O-])O.[Na+].[Na+],674399,MOL,0,Osteoporosis Treatment And Prevention; Paget's Disease Treatment,1997.0
CHEMBL1200449,CC(=O)OCC(=O)[C@@]1(O)[C@H](OC(C)=O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,674400,MOL,0,Glucocorticoid,1959.0
CHEMBL1200452,,674403,NONE,0,Diagnostic Aid; Radioactive Agent,1985.0
CHEMBL1200453,CCCCCCCCCCCCCCCCCCCCCCO,674404,MOL,0,,2000.0
CHEMBL1200454,CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)nc(N)[nH]c21.Cl,674405,MOL,0,Antiviral,2001.0
CHEMBL1200455,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,674406,MOL,0,Diagnostic Aid (radiopaque medium),1985.0
CHEMBL1200457,,674408,NONE,0,"Diagnostic Aid (paramagnetic, brain disorders, spine disorders)",1999.0
CHEMBL1200458,O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[K+].[K+].[K+],674409,MOL,0,Alkalizer,1985.0
CHEMBL1200459,O=P([O-])([O-])O.[K+].[K+],674410,MOL,0,Regulator (calcium),
CHEMBL1200460,,674411,NONE,0,,1997.0
CHEMBL1200461,COc1ccc(OC)c(C(O)CNC(=O)CN)c1.Cl,674412,MOL,0,Antihypotensive,1996.0
CHEMBL1200463,O=C([O-])CCc1nc(-c2ccccc2)c(-c2ccccc2)o1.[K+],674414,MOL,0,,2002.0
CHEMBL1200464,CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N.Cl,674415,MOL,0,"Anesthetic (topical, ophthalmic)",1953.0
CHEMBL1200467,O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,674418,MOL,0,Tranquilizer (minor),1959.0
CHEMBL1200468,CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC,674419,MOL,0,Pediculicide,1982.0
CHEMBL1200469,CN(C)CCCN1c2ccccc2Sc2ccccc21.Cl,674420,MOL,0,Antipsychotic,1956.0
CHEMBL1200470,COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Na+],674421,MOL,0,,2005.0
CHEMBL1200472,Fc1ccccc1C1=NCC(=S)N(CC(F)(F)F)c2ccc(Cl)cc21,674423,MOL,0,Sedative-Hypnotic,1985.0
CHEMBL1200473,CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1.Cl,674424,MOL,0,Anticholinergic (ophthalmic),1974.0
CHEMBL1200474,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12.Cl,674425,MOL,0,Antibacterial,1960.0
CHEMBL1200475,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.O=C(O)CC(O)(CC(=O)O)C(=O)O,674426,MOL,0,,1996.0
CHEMBL1200477,O=c1[n-]cnc2[nH]ncc12.[Na+],674428,MOL,0,,1996.0
CHEMBL1200478,CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1.Cl,674429,MOL,0,Anesthetic (topical),1982.0
CHEMBL1200479,CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1.Cl,674430,MOL,0,Anticholinergic,1950.0
CHEMBL1200480,CC(=O)O.C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O,674431,MOL,0,Antisecretory (gastric),1988.0
CHEMBL1200482,CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O.[Na+],674433,MOL,0,Antibacterial,1982.0
CHEMBL1200483,CC1NCCOC1c1ccccc1.Cl,674434,MOL,0,Anorexic,1982.0
CHEMBL1200485,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1.Cc1ccc(S(=O)(=O)O)cc1,674436,MOL,0,,2005.0
CHEMBL1200487,C=C(CC)C(=O)c1ccc(OCC(=O)[O-])c(Cl)c1Cl.[Na+],674438,MOL,0,Diuretic,1967.0
CHEMBL1200490,CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,674441,BOTH,0,,2000.0
CHEMBL1200491,Cl.NC1=NCC2c3ccccc3Cc3ccccc3N12,674442,MOL,0,,2003.0
CHEMBL1200492,CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1.Cl,674443,MOL,0,Antidepressant,1994.0
CHEMBL1200493,CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12.Cl,674444,MOL,0,Antifungal,1988.0
CHEMBL1200494,Cl.N=C(N)NC(=O)Cc1c(Cl)cccc1Cl,674445,MOL,0,Antihypertensive,1986.0
CHEMBL1200495,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)[O-].[Na+],674446,MOL,0,Glucocorticoid,1955.0
CHEMBL1200497,CC(O)C(=O)O.CN1CCN(C(c2ccccc2)c2ccccc2)CC1,674448,MOL,0,Antinauseant,1982.0
CHEMBL1200498,CS(=O)(=O)O.C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]21,674449,MOL,0,Antibacterial,1997.0
CHEMBL1200500,CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C,674451,MOL,0,Glucocorticoid,1976.0
CHEMBL1200501,CC(=O)O.CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O,674452,MOL,0,,1989.0
CHEMBL1200503,CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O,674454,MOL,0,Enzyme Inhibitor (prolactin),1978.0
CHEMBL1200506,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.O=C(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,674457,MOL,0,Antibacterial,1964.0
CHEMBL1200507,CC(=O)N(CC(O)CN(C(C)=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,674458,MOL,0,Diagnostic Aid (radiopaque medium),1996.0
CHEMBL1200508,CNC(=O)c1c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c(I)c(N(C)C(C)=O)c1I.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,674459,MOL,0,Diagnostic Aid (radiopaque medium),1985.0
CHEMBL1200509,CC(=O)O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1,674460,MOL,0,,1991.0
CHEMBL1200510,CCCCCCCCCCCCCCCCCC(=O)O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,674461,MOL,0,Antibacterial,1964.0
CHEMBL1200511,CC(=O)O.CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O,674462,BOTH,0,Gonad-Stimulating Principle,1989.0
CHEMBL1200514,CN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-].[Br-],674465,MOL,0,Cholinergic (ophthalmic),1959.0
CHEMBL1200515,COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,674466,MOL,0,,1957.0
CHEMBL1200516,CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O.Cl,674467,BOTH,0,Gonad-Stimulating Principle,1982.0
CHEMBL1200517,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CS(=O)(=O)O,674468,MOL,0,Anti-Adrenergic,1946.0
CHEMBL1200521,CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.O=C(O)CC(O)C(=O)O,674472,MOL,0,,2001.0
CHEMBL1200522,COc1ccc(C(=O)CC(=O)c2ccc(C(C)(C)C)cc2)cc1,674473,MOL,0,Sunscreen,1992.0
CHEMBL1200523,Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1.[Na+],674474,MOL,0,Antibacterial (systemic),1973.0
CHEMBL1200527,COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1,674478,MOL,0,Neuromuscular Blocking Agent,1983.0
CHEMBL1200528,,674479,NONE,0,Supplement (trace mineral),1986.0
CHEMBL1200529,,674480,NONE,0,Radioactive Agent,
CHEMBL1200530,CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@@H]21.[Na+],674481,MOL,0,Antibacterial,1978.0
CHEMBL1200531,CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1.Cl,674482,MOL,0,Analgesic (narcotic),1986.0
CHEMBL1200532,CN1CCC(CN2c3ccccc3Sc3ccccc32)C1.Cl,674483,MOL,0,Antipruritic,1982.0
CHEMBL1200534,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O.Cl,674485,MOL,0,Antihypertensive; Enzyme Inhibitor (angiotensin-converting),1995.0
CHEMBL1200535,,674486,NONE,0,Diagnostic Aid (radiopaque medium); Radioactive Agent,1977.0
CHEMBL1200538,CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,674489,MOL,0,Glucocorticoid,1965.0
CHEMBL1200539,O=C([O-])[O-].[Ca+2],674490,MOL,0,Antacid,2000.0
CHEMBL1200541,CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl.[Cl-].[Cl-],674492,MOL,0,,1956.0
CHEMBL1200542,CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,674493,MOL,0,Adrenocortical Steroid (salt-regulating),1939.0
CHEMBL1200543,CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1.O=P(O)(O)O,674494,MOL,0,,1982.0
CHEMBL1200544,CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1.O,674495,MOL,0,Antibacterial,1971.0
CHEMBL1200545,CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,674496,MOL,0,Anti-Inflammatory (topical),1977.0
CHEMBL1200548,,674499,NONE,0,Supplement (trace mineral),1986.0
CHEMBL1200549,C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)[C@@H](N6CCCCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(=O)CC)CCCCC1.[Br-],674500,MOL,0,Neuromuscular Blocking Agent,1999.0
CHEMBL1200550,O=P(O)(O)O.c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1,674501,MOL,0,Antihistaminic,1994.0
CHEMBL1200553,,674504,NONE,0,Supplement (trace mineral),1986.0
CHEMBL1200554,CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,674505,BOTH,0,,2000.0
CHEMBL1200555,CN(C(=O)CC(=O)N(C)c1c(I)c(C(=O)NC(CO)C(O)CO)c(I)c(C(=O)NC(CO)C(O)CO)c1I)c1c(I)c(C(=O)NC(CO)C(O)CO)c(I)c(C(=O)NC(CO)C(O)CO)c1I,674506,MOL,0,Diagnostic Aid (radiopaque medium),1989.0
CHEMBL1200556,CC(=O)O.N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O,674507,MOL,0,Antidiuretic,1978.0
CHEMBL1200558,CC[C@H](C)[C@H](N)C1=N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC)CS1,674509,BOTH,0,Antibacterial,1948.0
CHEMBL1200559,CC(O)C(=O)O,674510,MOL,0,,2006.0
CHEMBL1200560,CC(=O)O.N=C(N)N/N=C/c1c(Cl)cccc1Cl,674511,MOL,0,Antihypertensive,1982.0
CHEMBL1200561,COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC.CS(=O)(=O)O,674512,MOL,0,Antihypertensive,1990.0
CHEMBL1200562,CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,674513,MOL,0,Glucocorticoid,1978.0
CHEMBL1200563,COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c1-c1ccc(F)cc1.[Na+],674514,MOL,0,Inhibitor (HMG-CoA reductase); Antihyperlipidemic,1997.0
CHEMBL1200569,Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=C(O)CC(O)(CC(=O)O)C(=O)O,674520,MOL,0,,1999.0
CHEMBL1200570,CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,674521,MOL,0,Diagnostic Aid (radiopaque medium),
CHEMBL1200571,,674522,NONE,0,Diagnostic Aid (paramagnetic),2004.0
CHEMBL1200572,O=[Mg],674523,MOL,0,Pharmaceutic Aid (sorbent),1982.0
CHEMBL1200574,[Cl-].[Na+],674525,MOL,0,"Pharmaceutic Aid (tonicity agent),Radioactive Agent",
CHEMBL1200578,Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCC(=O)[O-].[Na+],674529,MOL,0,Relaxant (smooth muscle),1982.0
CHEMBL1200580,O=S([O-])CNc1ccc(S(=O)(=O)c2ccc(NCS(=O)[O-])cc2)cc1.[Na+].[Na+],674531,MOL,0,,1982.0
CHEMBL1200581,CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)[O-])c1I.[Na+],674532,MOL,0,Diagnostic Aid (radiopaque medium),1954.0
CHEMBL1200582,Cl.NCC(=O)CCC(=O)O,674533,MOL,0,Antineoplastic,1999.0
CHEMBL1200584,Nc1ccc(C(=O)[O-])c(O)c1.[K+],674535,MOL,0,,1955.0
CHEMBL1200585,C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,674536,MOL,0,Androgen,1972.0
CHEMBL1200586,CCCNC(C)C(=O)Nc1ccccc1C.Cl,674537,MOL,0,Anesthetic (local),1965.0
CHEMBL1200588,CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1.Cl,674539,MOL,0,Antibacterial,1970.0
CHEMBL1200589,CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1.Cl,674540,MOL,0,Antibacterial,1988.0
CHEMBL1200592,CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,674543,MOL,0,Adrenocortical Steroid (salt-regulating),1982.0
CHEMBL1200593,,674544,NONE,0,Diagnostic Aid (paramagnetic),1992.0
CHEMBL1200595,CC(C)(N)Cc1ccc(Cl)cc1.Cl,674546,MOL,0,Anorexic,1982.0
CHEMBL1200596,Oc1c(Cl)cc(Cl)c2cccnc12,674547,MOL,0,Antiseborrheic,1976.0
CHEMBL1200597,CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C.Cl,674548,MOL,0,,1976.0
CHEMBL1200598,CC/C(=C(/CC)c1ccc(OP(=O)(O)O)cc1)c1ccc(OP(=O)(O)O)cc1,674549,MOL,0,Estrogen,1982.0
CHEMBL1200599,Cl.N#CC(CCN1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1,674550,MOL,0,,1978.0
CHEMBL1200600,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,674551,MOL,0,Glucocorticoid,1972.0
CHEMBL1200601,CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.Cl,674552,MOL,0,Antimigraine,1998.0
CHEMBL1200604,CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1,674555,MOL,0,Anticholinergic,1960.0
CHEMBL1200606,Cc1cccc(C)c1OCC(C)N.Cl,674557,MOL,0,Cardiac Depressant (anti-arrhythmic),1985.0
CHEMBL1200607,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,674558,MOL,0,,2002.0
CHEMBL1200609,CS(=O)(=O)O.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,674560,MOL,0,,2003.0
CHEMBL1200610,N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CC[C@H]12)c1ccccc1.O,674561,MOL,0,Antibacterial,1991.0
CHEMBL1200612,CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1.Cl,674563,MOL,0,Anesthetic (local),1982.0
CHEMBL1200613,Cc1ccc(C(=O)c2ccc(CC(=O)[O-])n2C)cc1.[Na+],674564,MOL,0,Anti-Inflammatory,1976.0
CHEMBL1200614,O=C(NCC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(N(CCO)C(=O)CO)c1I,674565,MOL,0,Diagnostic Aid (radiopaque medium),1988.0
CHEMBL1200616,NS(=O)(=O)c1cc2c(cc1Cl)N=C[N-]S2(=O)=O.[Na+],674567,MOL,0,Antihypertensive; Diuretic,1958.0
CHEMBL1200617,CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,674568,MOL,0,Anti-Inflammatory,1994.0
CHEMBL1200618,CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl,674569,MOL,0,Antihistaminic,1996.0
CHEMBL1200621,CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN.CS(=O)(=O)O,674572,MOL,0,,2003.0
CHEMBL1200622,C[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C)C(C)(C)O,674573,MOL,0,,1998.0
CHEMBL1200623,CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C,674574,MOL,0,Anabolic,1964.0
CHEMBL1200624,C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C,674575,MOL,0,Progestin,1966.0
CHEMBL1200625,[89Sr+2].[Cl-].[Cl-],674576,MOL,0,Antineoplastic; Radioactive Agent,1993.0
CHEMBL1200627,O=C1CCO1,674578,MOL,0,Disinfectant,
CHEMBL1200628,CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O.Cl,674579,MOL,0,Antibacterial,1964.0
CHEMBL1200629,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1.[Br-],674580,MOL,0,Neuromuscular Blocking Agent,1984.0
CHEMBL1200630,Cl.N[C@@H](CS)C(=O)O,674581,MOL,0,Amino Acid,1986.0
CHEMBL1200632,CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC.Cl,674583,MOL,0,,1986.0
CHEMBL1200633,CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O,674584,MOL,0,Antiparasitic,1996.0
CHEMBL1200635,CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C.Cl,674586,MOL,0,,1956.0
CHEMBL1200636,CN(C)CCC=C1c2ccccc2C=Cc2ccccc21.Cl,674587,MOL,0,Relaxant (muscle),1977.0
CHEMBL1200638,CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,674589,MOL,0,Antihistaminic,1963.0
CHEMBL1200639,,674590,NONE,0,Radioactive Agent,1978.0
CHEMBL1200640,,674591,NONE,0,Hematinic,
CHEMBL1200641,COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1,674592,MOL,0,Neuromuscular Blocking Agent,1995.0
CHEMBL1200642,,674593,NONE,0,Diagnostic Aid; Radioactive Agent,1994.0
CHEMBL1200644,CO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]5NS(=O)(=O)[O-])[C@H](O)[C@H]4O)[C@H](OS(=O)(=O)[O-])[C@H]3NS(=O)(=O)[O-])[C@H](O)[C@H]2OS(=O)(=O)[O-])[C@H](O)[C@H]1NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],674595,MOL,0,,2001.0
CHEMBL1200645,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OP(=O)(O)O,674596,MOL,0,Antineoplastic,1996.0
CHEMBL1200647,CC1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(OC2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)CC(O)CC(O)CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(O)CC(=O)c1ccc(N)cc1,674598,MOL,0,Antifungal,1982.0
CHEMBL1200648,C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1.[Br-],674599,MOL,0,Neuromuscular Blocking Agent,1994.0
CHEMBL1200649,CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)[C@H](CS[C@@H]3CN4CCC3CC4)CN2C(=O)[C@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O,674600,MOL,0,Antibacterial,1999.0
CHEMBL1200654,CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N.Cl,674605,MOL,0,Anesthetic (topical),1982.0
CHEMBL1200656,C[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3/C=C/C(=O)O1)C[C@H](O)[C@H]2C(=O)O,674607,MOL,0,Antibacterial (ophthalmic),1978.0
CHEMBL1200659,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O.O=C(O)/C=C\C(=O)O,674610,MOL,0,Antihypertensive,1985.0
CHEMBL1200660,O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12,674611,MOL,0,Diuretic,1974.0
CHEMBL1200661,CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC(C)C,674612,MOL,0,,2000.0
CHEMBL1200662,,674613,NONE,0,,
CHEMBL1200663,,674614,NONE,0,Radioactive Agent,1986.0
CHEMBL1200664,CC(O)C(=O)[O-].[K+],674615,MOL,0,,1986.0
CHEMBL1200665,CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1.Cl,674616,MOL,0,Antiperistaltic,1960.0
CHEMBL1200666,C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O,674617,MOL,0,Antipsoriatic,1993.0
CHEMBL1200667,CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,674618,MOL,0,,
CHEMBL1200668,[Ca+2].[Cl-].[Cl-],674619,MOL,0,"Radioactive Agent,Replenisher (calcium)",
CHEMBL1200670,CC(=O)O.CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C.O,674621,BOTH,0,Antihypertensive,1982.0
CHEMBL1200671,CC(=O)O.CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O,674622,BOTH,0,LHRH Agonist,1990.0
CHEMBL1200672,Cc1cc(O)c(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)cn1.[Na+],674623,MOL,0,Antibacterial,1989.0
CHEMBL1200673,[127Xe],674624,MOL,0,"Diagnostic Aid; Radioactive Agent; Gas, Medicinal",1982.0
CHEMBL1200675,CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,674626,MOL,0,Anti-Estrogen; Antineoplastic,1997.0
CHEMBL1200676,,674627,NONE,0,Radioactive Agent,1974.0
CHEMBL1200678,COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C.O=S(=O)(O)O,674629,MOL,0,,2003.0
CHEMBL1200679,[Cl-].[Cl-].[Zn+2],674630,MOL,0,Astringent; Dentin Desensitizer,1986.0
CHEMBL1200680,S=[Se]=S,674631,MOL,0,Antifungal; Antiseborrheic,1951.0
CHEMBL1200681,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)[O-])CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1.[Na+],674632,MOL,0,Anti-Asthmatic (leukotriene antagonist),1998.0
CHEMBL1200682,O=C([O-])CCCO.[Na+],674633,MOL,0,"Anesthesia, Adjunct To",2002.0
CHEMBL1200685,[133Xe],674636,MOL,0,Radioactive Agent,
CHEMBL1200686,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,674637,MOL,0,,2001.0
CHEMBL1200688,CCOC(=O)CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C,674639,MOL,0,Antibacterial,1965.0
CHEMBL1200689,[N]=O,674640,MOL,0,,1999.0
CHEMBL1200690,NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O,674641,BOTH,0,Antidiuretic; Vasoconstrictor,1982.0
CHEMBL1200691,CC(=O)[O-].CC(=O)[O-].[Mg+2],674642,MOL,0,,
CHEMBL1200692,CCCc1nc(C(C)(C)O)c(C(=O)OCc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,674643,MOL,0,,2002.0
CHEMBL1200693,,674644,NONE,0,Supplement (trace mineral),1986.0
CHEMBL1200694,FCOC(C(F)(F)F)C(F)(F)F,674645,MOL,0,Anesthetic (inhalation),1995.0
CHEMBL1200695,CC(N)C(O)c1ccccc1.Cl,674646,MOL,0,Adrenergic (vasoconstrictor),1958.0
CHEMBL1200696,[K+].[O-][Cl+3]([O-])([O-])[O-],674647,MOL,0,,1974.0
CHEMBL1200698,,674649,NONE,0,Radioactive Agent,1976.0
CHEMBL1200699,C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.O,674650,MOL,0,Antibacterial,1967.0
CHEMBL1200701,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+],674652,MOL,0,Antibacterial,1968.0
CHEMBL1200703,CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1.Cl,674654,MOL,1,Sedative-Hypnotic,1960.0
CHEMBL1200705,Br.CC(N)Cc1ccc(O)cc1,674656,MOL,0,Adrenergic (ophthalmic),1969.0
CHEMBL1200706,[Al+3].[OH-].[OH-].[OH-],674657,MOL,0,Antacid,1983.0
CHEMBL1200707,CCN(CC)C(=O)C1CN2CCc3cc(OC)c(OC)cc3C2CC1OC(C)=O.Cl,674658,MOL,0,,1974.0
CHEMBL1200709,C/C=C/C(=O)N(CC)c1ccccc1C,674660,MOL,0,Scabicide,1949.0
CHEMBL1200710,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl,674661,MOL,0,Antidepressant,1989.0
CHEMBL1200711,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC,674662,MOL,0,,2004.0
CHEMBL1200712,Cc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c4c3O)c(C)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N)c2c1O.[Na+].[Na+].[Na+].[Na+],674663,MOL,0,,
CHEMBL1200714,CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)cc1,674665,MOL,0,,1960.0
CHEMBL1200715,CC(CNC1CCCCC1)OC(=O)c1ccccc1.Cl,674666,MOL,0,,1982.0
CHEMBL1200718,[Mg+2].[OH-].[OH-],674669,MOL,0,Laxative; Antacid,2000.0
CHEMBL1200721,C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)([O-])[O-].[Na+].[Na+],674672,MOL,0,Antineoplastic,1981.0
CHEMBL1200722,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1.[Br-].[Br-],674673,MOL,0,Neuromuscular Blocking Agent,1990.0
CHEMBL1200724,CN[C@@H](C)[C@@H](O)c1ccccc1.Cl,674675,MOL,0,Adrenergic (vasoconstrictor),1975.0
CHEMBL1200725,Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1.O=[N+]([O-])O,674676,MOL,0,,2003.0
CHEMBL1200727,[82Rb+].[Cl-],674678,MOL,0,"Diagnostic Aid (radioactive, cardiac disease); Radioactive Agent",1989.0
CHEMBL1200728,Cl.N=C(N)N,674679,MOL,0,,1939.0
CHEMBL1200729,O=C([O-])CCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1.[Na+],674680,MOL,0,Antirickettsial; Antibacterial,1959.0
CHEMBL1200731,[Cl-].[K+],674682,MOL,0,"Radioactive Agent,Replenisher (electrolyte)",
CHEMBL1200732,CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,674683,MOL,0,Glucocorticoid,1979.0
CHEMBL1200733,FC(F)OC(F)C(F)(F)F,674684,MOL,0,Anesthetic,1992.0
CHEMBL1200734,CC(C)CN(C[C@@H](OP(=O)([O-])[O-])[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1.[Ca+2],674685,MOL,0,,2003.0
CHEMBL1200735,COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.Cl,674686,MOL,0,,1999.0
CHEMBL1200736,O=C([O-])[O-].[Mg+2],674687,MOL,0,Antacid,1990.0
CHEMBL1200737,CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC,674688,MOL,0,Pulmonary Surfactant,1990.0
CHEMBL1200743,CNC(=O)c1c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)[O-])c(I)c(C(=O)NCCO)c2I)c(I)c(N(C)C(C)=O)c1I.[Na+],674694,MOL,0,Diagnostic Aid (radiopaque medium),1985.0
CHEMBL1200744,[18F-].[Na+],674695,MOL,0,Radioactive Agent,1972.0
CHEMBL1200745,C=CCOc1ccccc1OCC(O)CNC(C)C.Cl,674696,MOL,0,Vasodilator (coronary),1983.0
CHEMBL1200747,CC(O)C(=O)O.N,674698,MOL,0,Antipruritic (topical),1985.0
CHEMBL1200748,C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O.O,674699,MOL,0,Inhibitor (decarboxylase),1975.0
CHEMBL1200749,CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.Cl,674700,MOL,0,,1999.0
CHEMBL1200750,CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cl,674701,MOL,0,Antihistaminic; Anti-Emetic,1951.0
CHEMBL1200751,O.Sc1ncnc2nc[nH]c12,674702,MOL,0,Antineoplastic,1953.0
CHEMBL1200755,CCNCC.CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,674706,BOTH,0,Stimulant (gastric secretory),1982.0
CHEMBL1200756,Cc1ncc(CO)c(CO)c1O.Cl,674707,MOL,0,Vitamin (enzyme co-factor),
CHEMBL1200757,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1.[Br-].[Br-],674708,MOL,0,Neuromuscular Blocking Agent,1972.0
CHEMBL1200758,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+],674709,MOL,0,Antibacterial,1971.0
CHEMBL1200759,Cl.O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1,674710,MOL,0,Antithrombotic,1997.0
CHEMBL1200760,O=C([O-])CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)[O-])c2)cc1.[Na+].[Na+],674711,MOL,0,Anti-Inflammatory (gastrointestinal),2000.0
CHEMBL1200761,COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,674712,MOL,0,Estrogen,1982.0
CHEMBL1200762,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+],674713,MOL,0,Glucocorticoid,1965.0
CHEMBL1200763,O=C([O-])CNC(=O)c1ccccc1[131I].[Na+],674714,MOL,0,Diagnostic Aid (renal function determination); Radioactive Agent,
CHEMBL1200764,CC(=O)OC(C)C[N+](C)(C)C.[Cl-],674715,MOL,0,Cholinergic,1986.0
CHEMBL1200768,CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12)c1csc(N)n1)C(=O)[O-].[Na+],674719,MOL,0,,1989.0
CHEMBL1200769,CN(C)CCN(Cc1ccccc1)c1ccccn1.O=C(O)CC(O)(CC(=O)O)C(=O)O,674720,MOL,0,Antihistaminic,1948.0
CHEMBL1200770,CC(=O)N(CC(C)C(=O)O)c1c(I)cc(I)c(N)c1I,674721,MOL,0,Diagnostic Aid (radiopaque medium),
CHEMBL1200771,CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1.[Cl-],674722,MOL,0,,1954.0
CHEMBL1200772,CC(=O)CC(c1ccccc1)c1c([O-])c2ccccc2oc1=O.[K+],674723,MOL,0,,1982.0
CHEMBL1200773,Cc1cccc(C)c1NC(=O)C(C)N.Cl,674724,MOL,0,Cardiac Depressant (anti-arrhythmic),1984.0
CHEMBL1200774,C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,674725,MOL,0,Glucocorticoid,1982.0
CHEMBL1200775,CC(=O)O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1,674726,MOL,0,LHRH Agonist; Antineoplastic,1985.0
CHEMBL1200776,C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.Cl,674727,MOL,0,,2004.0
CHEMBL1200778,C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1.Cl,674729,MOL,0,,1995.0
CHEMBL1200779,CS(=O)(=O)O.N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12,674730,MOL,0,Antibacterial,1997.0
CHEMBL1200781,Br.CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,674732,MOL,0,,1998.0
CHEMBL1200782,C[C@H](N)Cc1ccccc1.O=C(O)CCCCC(=O)O,674733,MOL,0,,1975.0
CHEMBL1200787,CC(COc1ccccc1)N(CCCl)Cc1ccccc1.Cl,674738,MOL,0,Antihypertensive,1953.0
CHEMBL1200789,O=P([O-])(O)OCC(Cl)(Cl)Cl.[Na+],674740,MOL,0,Sedative-Hypnotic,1982.0
CHEMBL1200790,CCC1(CC)C(=O)NCC(C)C1=O,674741,MOL,0,,1982.0
CHEMBL1200791,Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1.Cl,674742,MOL,0,Adrenergic (vasoconstrictor),1986.0
CHEMBL1200794,CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.Cl,674745,MOL,0,Analgesic (narcotic),1959.0
CHEMBL1200795,CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1.O=C(O)/C=C/C(=O)O,674746,MOL,0,Antihistaminic,1977.0
CHEMBL1200796,O.O=P1(N(CCCl)CCCl)NCCCO1,674747,MOL,0,Immunosuppressant; Antineoplastic,1959.0
CHEMBL1200797,,674748,NONE,0,Radioactive Agent; Diagnostic Aid (renal function determination),1982.0
CHEMBL1200798,Cl.O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,674749,MOL,0,Antidepressant,1981.0
CHEMBL1200799,CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1,674750,MOL,0,,2001.0
CHEMBL1200800,CC(=O)[O-].CC(=O)[O-].[Ca+2],674751,MOL,0,Pharmaceutic Aid (buffering agent),1982.0
CHEMBL1200802,C=CCC1(C(C)CC)C(=O)NC(=O)NC1=O,674753,MOL,0,,1982.0
CHEMBL1200803,O=C(O)CCC(=O)O.O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1,674754,MOL,0,,2004.0
CHEMBL1200804,O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[K+],674755,MOL,0,Anti-Inflammatory,1993.0
CHEMBL1200805,COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1.O=C(O)CC(O)C(=O)O,674756,MOL,0,Antihypertensive,1996.0
CHEMBL1200806,COc1ccc2cc([C@H](C)C(=O)[O-])ccc2c1.[Na+],674757,MOL,0,Antipyretic; Anti-Inflammatory; Analgesic,1980.0
CHEMBL1200807,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC,674758,MOL,0,,2001.0
CHEMBL1200809,CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1.Cl,674760,MOL,0,Anti-Asthmatic; Anti-Allergic,1996.0
CHEMBL1200810,C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O,674761,MOL,0,,1999.0
CHEMBL1200813,CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1.Cl,674764,MOL,0,Anti-Adrenergic (beta-receptor),1984.0
CHEMBL1200814,CC(=O)Nc1nnc(S([NH-])(=O)=O)s1.[Na+],674765,MOL,0,,1990.0
CHEMBL1200817,CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1.Cl,674768,MOL,0,Analgesic (narcotic),1993.0
CHEMBL1200819,CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC.Cl,674770,MOL,0,,2000.0
CHEMBL1200820,CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)[O-])C(C)(C)S[C@H]23)c2ccccc2)C(=O)C1=O.[Na+],674771,MOL,0,Antibacterial,1981.0
CHEMBL1200821,CCCOC(=O)Cn1cc(I)c(=O)c(I)c1,674772,MOL,0,Diagnostic Aid (radiopaque medium),
CHEMBL1200822,CC(=O)O.O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F,674773,MOL,0,Cardiac Depressant (anti-arrhythmic),1985.0
CHEMBL1200823,,674774,NONE,0,,2000.0
CHEMBL1200825,CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.Cl,674776,MOL,0,Analgesic (narcotic),1947.0
CHEMBL1200826,O=C([O-])[O-].[Li+].[Li+],674777,MOL,0,Antimanic,1970.0
CHEMBL1200828,Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCC1,674779,MOL,0,,1982.0
CHEMBL1200829,O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,674780,MOL,0,Chelating Agent,1990.0
CHEMBL1200830,,674781,NONE,0,Hematinic,
CHEMBL1200831,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2.Cl,674782,MOL,0,Enzyme Inhibitor (angiotensin-converting),1994.0
CHEMBL1200832,CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12.Cl,674783,MOL,0,,1992.0
CHEMBL1200833,CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1.Cl,674784,MOL,0,Antiglaucoma Agent,1980.0
CHEMBL1200835,,674786,NONE,0,Radioactive Agent,1973.0
CHEMBL1200836,Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O,674787,MOL,0,Antifungal,1988.0
CHEMBL1200837,CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1.Cl,674788,MOL,0,Anti-Adrenergic (beta-receptor),2000.0
CHEMBL1200839,CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,674790,MOL,0,Diagnostic Aid (radiopaque medium),
CHEMBL1200841,CCN(CC)CCOC(=O)c1ccc(N)cc1.Cl,674792,MOL,0,Anesthetic (local),1954.0
CHEMBL1200843,CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O=C(O)/C=C\C(=O)O,674794,MOL,0,Oxytocic,1946.0
CHEMBL1200845,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1,674796,MOL,0,Anti-Inflammatory (topical),1974.0
CHEMBL1200848,CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,674799,MOL,0,Progestin,1975.0
CHEMBL1200850,Nc1nc([O-])c2ncn(COC(CO)CO)c2n1.[Na+],674801,MOL,0,Antiviral,1989.0
CHEMBL1200851,C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2.[Br-],674802,MOL,0,Anticholinergic,1943.0
CHEMBL1200852,CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+],674803,MOL,0,Antibacterial,1958.0
CHEMBL1200853,CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C,674804,MOL,0,Progestin,1982.0
CHEMBL1200854,CCCCCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,674805,MOL,0,Antipsychotic,1972.0
CHEMBL1200855,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)[O-])c3ccsc3)C(=O)N2[C@H]1C(=O)[O-].[Na+].[Na+],674806,MOL,0,Antibacterial,1976.0
CHEMBL1200857,,674808,NONE,0,Radioactive Agent,1996.0
CHEMBL1200859,CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2cc(S(=O)(=O)[O-])ccc2S(=O)(=O)[O-])cc1.[Na+],674810,MOL,0,Diagnostic Aid (lymphangiography),1981.0
CHEMBL1200861,O=C(O)[C@@H](O)[C@H](O)C(=O)O,674812,MOL,0,Pharmaceutic Aid (buffering agent),1985.0
CHEMBL1200862,C[C@](N)(Cc1ccc(O)cc1)C(=O)O,674813,MOL,0,Antihypertensive,1979.0
CHEMBL1200863,Cl.N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O,674814,MOL,0,,1992.0
CHEMBL1200865,CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,674816,MOL,0,Anti-Inflammatory (topical),1998.0
CHEMBL1200866,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br,674817,MOL,0,Blood Substitute,1993.0
CHEMBL1200868,Nc1ccc(C(=O)Oc2ccccc2)c(O)c1,674819,MOL,0,Antibacterial (tuberculostatic),1982.0
CHEMBL1200869,Cc1ncc([N+](=O)[O-])n1CCO.Cl,674820,MOL,0,Antibacterial,1980.0
CHEMBL1200870,CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1.O=C(O)/C=C\C(=O)O,674821,MOL,0,Anti-Adrenergic (beta-receptor),1978.0
CHEMBL1200873,CS(=O)(=O)O.Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1,674824,MOL,0,Anti-Adrenergic,1952.0
CHEMBL1200874,CCCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1.[Na+],674825,MOL,0,Diagnostic Aid (diabetes),1961.0
CHEMBL1200875,Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O.Cl,674826,MOL,0,Relaxant (smooth muscle),1970.0
CHEMBL1200877,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C,674828,MOL,0,Glucocorticoid,1982.0
CHEMBL1200878,CC(C)(C)CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,674829,MOL,0,Glucocorticoid,1969.0
CHEMBL1200879,CC(=O)CC(c1ccccc1)c1c([O-])c2ccccc2oc1=O.[Na+],674830,MOL,0,Anticoagulant,1954.0
CHEMBL1200880,COS(=O)(=O)[O-].C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1,674831,MOL,0,,1982.0
CHEMBL1200881,CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cl,674832,MOL,0,Antibacterial,1971.0
CHEMBL1200883,CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1.[Br-],674834,MOL,0,Detergent,
CHEMBL1200885,Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C)C1=O.Cl,674836,MOL,0,Anti-Emetic,2000.0
CHEMBL1200887,COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC.Cl,674838,MOL,0,Anti-Emetic,1974.0
CHEMBL1200890,COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314.Cl,674841,MOL,0,Analgesic (narcotic),1950.0
CHEMBL1200891,CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl,674842,MOL,0,,1982.0
CHEMBL1200893,CC(Cc1ccc2c(c1)OCO2)NCC(O)c1ccc(O)c(O)c1.Cl,674844,MOL,0,,1982.0
CHEMBL1200895,NNCCc1ccccc1.O=S(=O)(O)O,674846,MOL,0,Antidepressant,1961.0
CHEMBL1200896,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O.NC(CO)(CO)CO,674847,MOL,0,Oxytocic; Prostaglandin,1982.0
CHEMBL1200899,CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)[O-])c1I.[Na+],674850,MOL,0,"Diagnostic Aid (radiopaque medium, cholecystographic)",1969.0
CHEMBL1200901,CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12.Cl,674852,MOL,0,Antimalarial,1992.0
CHEMBL1200903,C=CCC1(C(C)CCC)C(=O)[N-]C(=O)NC1=O.[Na+],674854,MOL,0,Sedative-Hypnotic,1950.0
CHEMBL1200904,C#CCN(C)[C@H](C)Cc1ccccc1.Cl,674855,MOL,0,Antidyskinetic; Antiparkinsonian (in combination with levodopa/carbidopa),1989.0
CHEMBL1200906,CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.[Br-],674857,MOL,0,,1982.0
CHEMBL1200907,C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O,674858,MOL,0,Adrenocortical Suppressant,1984.0
CHEMBL1200908,CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,674859,MOL,0,Anti-Inflammatory (topical),1990.0
CHEMBL1200909,CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,674860,MOL,0,Glucocorticoid,1956.0
CHEMBL1200910,CC(=O)N(c1onc(C)c1C)S(=O)(=O)c1ccc(N)cc1,674861,MOL,0,Antibacterial,1953.0
CHEMBL1200912,CC(C)(N)Cc1ccccc1.Cl,674863,MOL,0,Appetite Suppressant (systemic),1973.0
CHEMBL1200914,CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1.Cl,674865,MOL,0,Benign Prostatic Hyperplasia Therapy Agent,1997.0
CHEMBL1200916,CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2.Cl,674867,MOL,0,Sedative-Hypnotic; Antipsychotic,1962.0
CHEMBL1200920,CCC(NC(C)C)C(O)c1ccc(O)c(O)c1.Cl,674871,MOL,0,Bronchodilator,1979.0
CHEMBL1200922,CCC(C)C(C)(COC(N)=O)COC(N)=O,674873,MOL,0,Antihypertensive,1982.0
CHEMBL1200923,,674874,NONE,0,Diagnostic Aid (hepatobiliary function determination); Radioactive Agent,1982.0
CHEMBL1200925,O=P([O-])(O)O.[K+],674876,MOL,0,Pharmaceutic Aid (buffering agent),
CHEMBL1200927,CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,674878,MOL,0,Antihistaminic,1981.0
CHEMBL1200928,CC(=O)[O-].CC(=O)[O-].[Zn+2],674879,MOL,0,,
CHEMBL1200929,O=S(=O)([O-])[O-].[Zn+2],674880,MOL,0,Astringent (ophthalmic),1987.0
CHEMBL1200930,COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[n-]2)c1C.[Na+],674881,MOL,0,Anti-Ulcerative; Gastric Acid Pump Inhibitor,1999.0
CHEMBL1200931,,674882,NONE,0,Radioactive Agent; Diagnostic Aid (skeletal imaging),
CHEMBL1200932,C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I,674883,MOL,0,Diagnostic Aid (radiopaque medium),1985.0
CHEMBL1200933,C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21.[Br-].[Br-],674884,MOL,0,Relaxant (skeletal muscle); Synergist (succinylcholine),1982.0
CHEMBL1200934,C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC,674885,MOL,0,Progestin,1989.0
CHEMBL1200935,Br.NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1,674886,MOL,0,,2004.0
CHEMBL1200936,CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CCN(CC)CCOC(=O)c1ccc(N)cc1.O,674887,MOL,0,Antibacterial,1948.0
CHEMBL1200937,CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@@H](C)[C@@H](C(C)C)OC(=O)[C@@H]12,674888,MOL,0,Antibacterial,1999.0
CHEMBL1200939,Cl.N,674890,MOL,0,Acidifier; Diuretic,
CHEMBL1200940,CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.Cl.O,674891,MOL,0,Anti-Emetic,1979.0
CHEMBL1200941,Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.Cl.[Cl-],674892,MOL,0,Vitamin (enzyme co-factor),
CHEMBL1200943,,674894,NONE,0,,
CHEMBL1200944,CC1(C)[C@H](C(=O)[O-])N2C(=O)C[C@H]2S1(=O)=O.[Na+],674895,MOL,0,Synergist (penicillin/cephalosporin); Inhibitor (beta-lactamase),1986.0
CHEMBL1200945,O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+].[Na+],674896,MOL,0,Chelating Agent (plutonium),2004.0
CHEMBL1200946,CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C,674897,MOL,0,Androgen,1983.0
CHEMBL1200947,CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C.Cl,674898,MOL,0,,1989.0
CHEMBL1200948,CC(CN(C)C)CN1c2ccccc2CCc2ccccc21.O=C(O)/C=C\C(=O)O,674899,MOL,0,Antidepressant,1979.0
CHEMBL1200949,Cl.NCCc1cc[nH]n1,674900,MOL,0,,1982.0
CHEMBL1200950,C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-],674901,MOL,0,Anticholinergic,1982.0
CHEMBL1200951,CCCCCCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,674902,MOL,0,Antipsychotic,1967.0
CHEMBL1200952,CN[C@@H](C)Cc1ccccc1.Cl,674903,MOL,0,Stimulant (central),1943.0
CHEMBL1200953,CCCC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,674904,MOL,0,Glucocorticoid,1997.0
CHEMBL1200955,COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2.Cl,674906,MOL,0,,1998.0
CHEMBL1200959,CN1CCC(CN2c3ccccc3Sc3ccccc32)C1,674910,MOL,0,Antipruritic,1982.0
CHEMBL1200961,CN(C)CCC(c1ccc(Br)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,674912,MOL,0,Antihistaminic,1957.0
CHEMBL1200962,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1.Cl.O.[Cl-],674913,MOL,0,Antibacterial,1996.0
CHEMBL1200963,CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1,674914,MOL,0,,2001.0
CHEMBL1200964,CN(C)CCC=C1c2ccccc2CCc2ccccc21.Cl,674915,MOL,0,Antidepressant,1961.0
CHEMBL1200965,CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C.Cl,674916,MOL,0,Antibacterial,1980.0
CHEMBL1200967,CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1.Cl,674918,MOL,0,Antihistaminic,1954.0
CHEMBL1200968,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+],674919,MOL,0,Glucocorticoid,1960.0
CHEMBL1200969,C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F,674920,MOL,0,,2001.0
CHEMBL1200970,CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21.Cl,674921,MOL,0,Antiparkinsonian,1982.0
CHEMBL1200971,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1,674922,MOL,0,Antibacterial,1970.0
CHEMBL1200972,CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl.Cl,674923,MOL,0,Antitussive,1982.0
CHEMBL1200973,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1,674924,MOL,0,Estrogen,1979.0
CHEMBL1200974,CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,674925,MOL,0,Antihistaminic,2003.0
CHEMBL1200975,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)C(C)(C)C,674926,MOL,0,Glucocorticoid,1977.0
CHEMBL1200976,CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O.Cl,674927,MOL,0,Antineoplastic,1990.0
CHEMBL1200977,CC(O)C(=O)O.Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1,674928,MOL,0,,1987.0
CHEMBL1200979,CC(C)(CO)[C@@H](O)C(=O)NCCCO,674930,MOL,0,Cholinergic,1985.0
CHEMBL1200980,C1CNCCN1.C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O,674931,MOL,0,Estrogen,1977.0
CHEMBL1200981,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1.Cl,674932,MOL,0,Antineoplastic,1999.0
CHEMBL1200982,CCC(C)C1(CC)C(=O)[N-]C(=O)NC1=O.[Na+],674933,MOL,0,Sedative-Hypnotic,1939.0
CHEMBL1200983,,674934,NONE,0,Regulator (calcium),1991.0
CHEMBL1200984,CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=C(O)/C=C\C(=O)O,674935,MOL,0,Antihypertensive; Anti-Anginal,2003.0
CHEMBL1200986,CCCCCCCCCC(=O)OC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,674937,MOL,0,Antipsychotic,1986.0
CHEMBL1200987,CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1.CS(=O)(=O)O,674938,MOL,0,Antihypertensive,1997.0
CHEMBL1200988,CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21.[Br-],674939,MOL,0,,1951.0
CHEMBL1200989,CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl,674940,MOL,0,Anti-Inflammatory (topical),1982.0
CHEMBL1200991,CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccc4c(c3)CCC4)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+],674942,MOL,0,Antibacterial,1972.0
CHEMBL1200993,CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC.[I-].[I-].[I-],674944,MOL,0,Neuromuscular Blocking Agent,1982.0
CHEMBL1200994,,674945,NONE,0,Diagnostic Aid (radiopaque medium); Radioactive Agent,1976.0
CHEMBL1201,CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,209829,MOL,0,Antipsychotic,1967.0
CHEMBL1201000,O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)[N-]1.[Na+],674951,MOL,0,,1960.0
CHEMBL1201001,CN(CCCl)CCCl.Cl,674952,MOL,0,Antineoplastic,1949.0
CHEMBL1201002,CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2.Cl,674953,MOL,0,Anti-Adrenergic (beta-receptor),1988.0
CHEMBL1201003,Br.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12,674954,MOL,0,,2002.0
CHEMBL1201005,O=C([O-])C1=C(CSc2nnnn2CS(=O)(=O)[O-])CS[C@@H]2[C@H](NC(=O)[C@H](O)c3ccccc3)C(=O)N12.[Na+].[Na+],674956,MOL,0,Antibacterial,1984.0
CHEMBL1201006,COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.O=C(O)/C=C\C(=O)O,674957,MOL,0,Antihistaminic,1973.0
CHEMBL1201010,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,674961,MOL,0,Adrenocortical Steroid (salt-regulating),1955.0
CHEMBL1201011,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O.Cl,674962,MOL,0,Enzyme Inhibitor (angiotensin-converting); Antihypertensive,1991.0
CHEMBL1201012,CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,674963,MOL,0,Glucocorticoid,1965.0
CHEMBL1201013,O=C([O-])c1cc(/N=N/c2ccc(O)c(C(=O)[O-])c2)ccc1O.[Na+].[Na+],674964,MOL,0,Anti-Inflammatory (gastrointestinal),1990.0
CHEMBL1201014,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+],674965,MOL,0,Glucocorticoid,1973.0
CHEMBL1201015,CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Al+3],674966,MOL,0,Astringent,1976.0
CHEMBL1201016,COCC1=C(C(=O)OC(C)OC(=O)OC(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OC)c3csc(N)n3)[C@H]2SC1,674967,MOL,0,Antibacterial,1992.0
CHEMBL1201018,N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1.O,674969,MOL,0,Antibacterial,1979.0
CHEMBL1201019,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=CCS[C@H]12)c1csc(N)n1.[Na+],674970,MOL,0,Antibacterial,1983.0
CHEMBL1201020,CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C.O=P(O)(O)O,674971,MOL,0,Cardiac Depressant (anti-arrhythmic),1977.0
CHEMBL1201022,Cl.Nc1ccc(/N=N/c2ccccc2)c(N)n1,674973,MOL,0,Analgesic (urinary tract),1987.0
CHEMBL1201023,Cc1ccccc1C(OCCN(C)C)c1ccccc1.Cl,674974,MOL,0,,1957.0
CHEMBL1201027,C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.[Br-],674978,MOL,0,Anticholinergic,1961.0
CHEMBL1201032,CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12.O=C(O)c1ccccc1,674983,MOL,0,Antimigraine,1998.0
CHEMBL1201033,CN(C)/C=N/c1c(I)cc(I)c(CCC(=O)[O-])c1I.[Na+],674984,MOL,0,Diagnostic Aid (radiopaque medium),1962.0
CHEMBL1201035,Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,674986,MOL,0,Anticholinergic; Antiparkinsonian,1959.0
CHEMBL1201037,Cl.NCCCC(N)(C(=O)O)C(F)F.O,674988,MOL,0,Antineoplastic; Antiprotozoal,1990.0
CHEMBL1201038,CCCCCCc1ccc(O)cc1O.Nc1c2ccccc2nc2ccccc12,674989,MOL,0,Antifungal,1982.0
CHEMBL1201039,NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O,674990,MOL,0,Antihypertensive; Diuretic,1960.0
CHEMBL1201041,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+],674992,MOL,0,Antibacterial,1982.0
CHEMBL1201042,CC(O)(P(=O)([O-])O)P(=O)([O-])O.[Na+].[Na+],674993,MOL,0,Bone Resorption Inhibitor,1977.0
CHEMBL1201043,CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1.[Na+],674994,MOL,0,Antibacterial,1974.0
CHEMBL1201044,Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1.Cl,674995,MOL,0,Antiglaucoma Agent; Psychotropic; Adrenergic (alpha-blocking); Neuroleptic,1990.0
CHEMBL1201045,CC(=O)Nc1c(I)cc(I)c(C(=O)[O-])c1I.O.[Na+],674996,MOL,0,,
CHEMBL1201046,NCc1ccccc1CC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=O)O)CS[C@H]12,674997,MOL,0,Antibacterial,1984.0
CHEMBL1201047,CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1.Cl,674998,MOL,0,Analgesic (narcotic),1982.0
CHEMBL1201048,CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C,674999,MOL,0,Antineoplastic,1982.0
CHEMBL1201049,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O,675000,MOL,0,Antifungal,1982.0
CHEMBL1201050,Cc1cccn2c(=O)c(-c3nnn[n-]3)cnc12.[K+],675001,MOL,0,Anti-Allergic; Inhibitor (mediator release),1999.0
CHEMBL1201051,CN/C(=N\CCSCc1nc[nH]c1C)NC#N.Cl,675002,MOL,0,Antagonist (to histamine-H2 receptors),1977.0
CHEMBL1201052,CN1CCCCC1CCN1c2ccccc2Sc2ccc([S+](C)[O-])cc21.O=S(=O)(O)c1ccccc1,675003,MOL,0,Antipsychotic,1970.0
CHEMBL1201054,C[75Se]CC[C@H](N)C(=O)O,675005,MOL,0,Diagnostic Aid (pancreas function determination); Radioactive Agent,1973.0
CHEMBL1201056,CCn1ccc(NS(=O)(=O)c2ccc(N)cc2)nc1=O,675007,MOL,0,Antibacterial,1975.0
CHEMBL1201057,CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCSC[C@H](N)C(=O)O)C(=O)[O-].[Na+],675008,MOL,0,Enzyme Inhibitor,1985.0
CHEMBL1201058,CC(=O)[O-].[K+],675009,MOL,0,Replenisher (electrolyte),
CHEMBL1201059,CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1.Cl,675010,MOL,0,,2000.0
CHEMBL1201060,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1.Cl,675011,MOL,0,,1976.0
CHEMBL1201061,CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1.Cl,675012,MOL,0,Bronchodilator; Asthma Prophylactic,1999.0
CHEMBL1201063,CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1.Cl,675014,MOL,0,Cardiac Depressant (anti-arrhythmic),1989.0
CHEMBL1201064,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,675015,MOL,0,Anti-Inflammatory,1986.0
CHEMBL1201065,C=CCC1(C(C)CCC)C(=O)N=C([S-])NC1=O.[Na+],675016,MOL,0,Anesthetic (intravenous),1982.0
CHEMBL1201066,COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1.Cl,675017,MOL,0,Antidepressant,1993.0
CHEMBL1201067,CC(O)C(=O)O.OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2,675018,MOL,0,Antiparkinsonian; Anticholinergic,1961.0
CHEMBL1201068,CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2.Cl,675019,MOL,0,,1960.0
CHEMBL1201071,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.O=P(O)(O)O,675022,MOL,0,Antibacterial,1957.0
CHEMBL1201073,O=C(O)[C@H](S)[C@H](S)C(=O)O,675024,MOL,0,Diagnostic Aid,1991.0
CHEMBL1201075,CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I,675026,MOL,0,Diagnostic Aid,1995.0
CHEMBL1201078,,675029,NONE,0,Radioactive Agent,1992.0
CHEMBL1201080,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.Cl,675031,MOL,0,,1995.0
CHEMBL1201081,C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(=O)[O-])[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12.[Na+],675032,MOL,0,Glucocorticoid,1959.0
CHEMBL1201082,CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.Cl,675033,MOL,0,Antidepressant,1987.0
CHEMBL1201083,[123I-].[Na+],675034,MOL,0,Diagnostic Aid (thyroid function determination); Radioactive Agent,1976.0
CHEMBL1201084,[131I-].[Na+],675035,MOL,0,Diagnostic Aid (thyroid function determination); Radioactive Agent; Antineoplastic,
CHEMBL1201087,C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,675038,MOL,0,Dopamine Agonist; Antidyskinetic; Antihyperprolactinemic,1996.0
CHEMBL1201089,CN(C)CCOC(c1ccccc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,675040,MOL,0,Antihistaminic,2005.0
CHEMBL1201093,COC(=O)CCC(=O)CN.Cl,675044,MOL,0,,2004.0
CHEMBL1201094,,675045,NONE,0,Radioactive Agent,
CHEMBL1201095,,675046,NONE,0,Radioactive Agent; Diagnostic Aid (renal function determination),
CHEMBL1201096,[81Kr],675047,MOL,0,Radioactive Agent,
CHEMBL1201098,CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)[O-])S2)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]21.[Na+].[Na+],675049,MOL,0,Antibacterial,1985.0
CHEMBL1201099,COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314.O.O=P(O)(O)O,675050,MOL,0,Antitussive; Analgesic (narcotic),1952.0
CHEMBL1201101,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1,675052,MOL,0,Androgen,1978.0
CHEMBL1201102,CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21.Cl,675053,MOL,0,Antipsychotic,1957.0
CHEMBL1201103,COc1ccc(OC)c(C(O)C(C)N)c1.Cl,675054,MOL,0,,1982.0
CHEMBL1201104,C1N2CN3CN1CN(C2)C3.O=C(O)CNC(=O)c1ccccc1,675055,MOL,0,Antibacterial (urinary),1967.0
CHEMBL1201108,Cc1nc2c([nH]1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2.Cl,675059,MOL,0,,2005.0
CHEMBL1201109,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,675060,MOL,0,Anti-Inflammatory,1972.0
CHEMBL1201110,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21.Cl,675061,MOL,0,Antiviral,1995.0
CHEMBL1201112,COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,675063,MOL,0,Antineoplastic,2005.0
CHEMBL1201115,COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1.Cl,675066,MOL,0,Anti-Adrenergic (beta-receptor),1986.0
CHEMBL1201116,CC1(C)S[C@@H]2[C@H](N3C(=O)[C@@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)O,675067,MOL,0,Antibacterial,1982.0
CHEMBL1201117,COc1ccccc1OCC(O)COC(N)=O,675068,MOL,0,Relaxant (skeletal muscle),1957.0
CHEMBL1201118,CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]21.[Na+],675069,MOL,0,Antibacterial,1989.0
CHEMBL1201119,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-].[Na+],675070,MOL,0,Thyroid Hormone,1956.0
CHEMBL1201120,CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC)CC1.Cl,675071,MOL,0,Analgesic,1996.0
CHEMBL1201121,CC1(C)S[C@@H]2[C@H](N3C(=O)[C@@H](c4ccccc4)NC3(C)C)C(=O)N2[C@H]1C(=O)[O-].[K+],675072,MOL,0,Antibacterial,1982.0
CHEMBL1201124,NC(CO)(CO)CO.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O,675075,MOL,0,Analgesic,1989.0
CHEMBL1201125,CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,675076,MOL,0,Diagnostic Aid (radiopaque medium),1962.0
CHEMBL1201127,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1.CCO,675078,MOL,0,,2006.0
CHEMBL1201129,Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1,675080,MOL,0,Antineoplastic,2006.0
CHEMBL1201130,C[N+](C)(C)CC(=O)O.[Cl-],675081,MOL,0,Replenisher Adjunct (electrolyte),
CHEMBL1201131,CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2,675082,MOL,0,,2000.0
CHEMBL1201132,Cl.Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314,675083,MOL,0,Antagonist (to narcotics); Analgesic,1979.0
CHEMBL1201134,CCCCC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)O)O1,675085,MOL,0,,2006.0
CHEMBL1201136,,675087,NONE,0,Protectant (topical),2006.0
CHEMBL1201138,Nc1nc(O)c2c(n1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2C=O.[Ca+2],675089,MOL,0,Antidote (to folic acid antagonists); Anti-Anemic (folate deficiency),1952.0
CHEMBL1201139,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,675090,MOL,0,Antineoplastic,1971.0
CHEMBL1201141,CC(C)Cc1ccc(C(C)C(=O)O)cc1.NCCCC[C@H](N)C(=O)O,675092,MOL,0,,2006.0
CHEMBL1201142,C#CCN[C@@H]1CCc2ccccc21.CS(=O)(=O)O,675093,MOL,0,Antiparkinsonian,2006.0
CHEMBL1201146,C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,675097,MOL,0,Progestin,1973.0
CHEMBL1201147,CCCCC(CC)COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1,675098,MOL,0,Ultraviolet Screen,2006.0
CHEMBL1201148,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO,675099,MOL,0,,1982.0
CHEMBL1201149,Cl.O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,675100,MOL,0,,1984.0
CHEMBL1201150,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1.O=C(O)CCC(=O)O,675101,MOL,0,Antimigraine,1992.0
CHEMBL1201151,C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C,675102,MOL,0,Estrogen,1961.0
CHEMBL1201152,C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl,675103,MOL,0,,1995.0
CHEMBL1201153,CCC(NC(C)C)C(O)c1ccc(O)c(O)c1.CS(=O)(=O)O,675104,MOL,0,Bronchodilator,1984.0
CHEMBL1201154,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.O=S(=O)(O)CCS(=O)(=O)O,675105,MOL,0,Antipsychotic; Anti-Emetic,1957.0
CHEMBL1201155,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1.O=C(O)CCC(=O)O,675106,MOL,0,Tranquilizer (minor),1975.0
CHEMBL1201156,CNCCC=C1c2ccccc2CCc2ccccc21.Cl,675107,MOL,0,Antidepressant,1964.0
CHEMBL1201159,CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.Cl,675110,MOL,0,,2006.0
CHEMBL1201161,CC(=O)O.NCc1ccc(S(N)(=O)=O)cc1,675112,MOL,0,"Anti-Infective, Topical",1969.0
CHEMBL1201162,CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.Cl,675113,MOL,0,Carbonic Anhydrase Inhibitor,1994.0
CHEMBL1201163,CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O,675114,MOL,0,Analgesic (narcotic),1984.0
CHEMBL1201165,C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C,675116,MOL,0,Estrogen,1982.0
CHEMBL1201167,COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.O=P(O)(O)O,675118,MOL,0,,2006.0
CHEMBL1201168,Cc1cc(C(=O)NNCc2ccccc2)no1,675119,MOL,0,Antidepressant,1959.0
CHEMBL1201171,CCCCOc1ccc(OCCCN2CCOCC2)cc1.Cl,675122,MOL,0,Anesthetic (topical),1976.0
CHEMBL1201172,CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,675123,MOL,0,Diagnostic Aid (radiopaque medium),
CHEMBL1201173,CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C,675124,MOL,0,Glucocorticoid,1969.0
CHEMBL1201174,N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F.O.O=P(O)(O)O,675125,MOL,0,,2006.0
CHEMBL1201177,CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O.Cl,675128,MOL,0,Anti-Adrenergic (beta-receptor),1985.0
CHEMBL1201178,CS(=O)(=O)O.CS(=O)(=O)O.C[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN,675129,MOL,0,,2007.0
CHEMBL1201179,CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.O,675130,MOL,0,,2007.0
CHEMBL1201180,O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl.OCCN1CCCC1,675131,MOL,0,,2007.0
CHEMBL1201182,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)C(C)(CO)CO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C,675133,MOL,0,,2007.0
CHEMBL1201184,CC(=O)O.CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O,675135,BOTH,0,Antineoplastic,2007.0
CHEMBL1201185,CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O,675136,BOTH,0,Antineoplastic,2007.0
CHEMBL1201186,,675137,NONE,0,,2006.0
CHEMBL1201187,Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1,675138,MOL,1,,2007.0
CHEMBL1201189,[13NH3],675140,MOL,0,Radioactive Agent; Diagnostic Aid (cardiac imaging); Diagnostic Aid (liver imaging),2007.0
CHEMBL1201190,Cl.Cl.O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1,675141,MOL,0,,2007.0
CHEMBL1201191,O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1,675142,MOL,0,,2007.0
CHEMBL1201192,NC(=O)C[S@@+]([O-])C(c1ccccc1)c1ccccc1,675143,MOL,0,,2007.0
CHEMBL1201193,CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C,675144,MOL,0,,1999.0
CHEMBL1201195,CO[C@@]1(NC(=O)CSCC#N)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,675146,MOL,0,Antibacterial,1989.0
CHEMBL1201196,Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1,675147,MOL,0,,2003.0
CHEMBL1201197,C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]21,675148,MOL,0,Antibacterial,1997.0
CHEMBL1201198,Cc1cccn2c(=O)c(-c3nnn[nH]3)cnc12,675149,MOL,0,Anti-Allergic; Inhibitor (mediator release),1999.0
CHEMBL1201199,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1,675150,MOL,0,LHRH Agonist; Antineoplastic,1985.0
CHEMBL1201201,CN[C@@H](C)Cc1ccccc1,675152,MOL,0,Stimulant (central),1943.0
CHEMBL1201202,CO[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O[C@H]3O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O[C@H]5O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]5NS(=O)(=O)O)[C@H](O)[C@H]4O)[C@H](OS(=O)(=O)O)[C@H]3NS(=O)(=O)O)[C@H](O)[C@H]2OS(=O)(=O)O)[C@H](O)[C@H]1NS(=O)(=O)O,675153,MOL,0,,2001.0
CHEMBL1201203,CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2,675154,MOL,0,Antiparkinsonian,1954.0
CHEMBL1201204,Cc1cc(O)c(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)cn1,675155,MOL,0,Antibacterial,1989.0
CHEMBL1201206,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H](N3CC[N+](C)(C)CC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CC[N+](C)(C)CC1,675157,MOL,0,Neuromuscular Blocking Agent,1990.0
CHEMBL1201207,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O,675158,MOL,0,Glucocorticoid,1965.0
CHEMBL1201210,CCC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2,675161,MOL,0,Sedative (pre-anesthetic),1960.0
CHEMBL1201212,COc1ccc(OC)c(C(O)CNC(=O)CN)c1,675163,MOL,0,Antihypotensive,1996.0
CHEMBL1201213,CCC(NC(C)C)C(O)c1ccc(O)c(O)c1,675164,MOL,0,Bronchodilator,1979.0
CHEMBL1201216,Cc1ccccc1N1CCN(CCc2nnc3n2CCCC3)CC1,675167,MOL,0,Antiglaucoma Agent; Psychotropic; Adrenergic (alpha-blocking); Neuroleptic,1990.0
CHEMBL1201217,CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1,675168,MOL,0,Anesthetic (topical),1982.0
CHEMBL1201218,Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](OC=O)c3ccccc3)[C@H]2SC1,675169,MOL,0,Antibacterial,1978.0
CHEMBL1201219,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1,675170,MOL,0,Neuromuscular Blocking Agent,1984.0
CHEMBL1201220,CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I,675171,MOL,0,"Diagnostic Aid (radiopaque medium),Radioactive Agent",1954.0
CHEMBL1201222,C[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN,675173,MOL,0,,2007.0
CHEMBL1201224,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1,675175,MOL,0,Antibacterial,1987.0
CHEMBL1201225,II,675176,MOL,0,"Anti-Infective, Topical",
CHEMBL1201229,CN(CCCCCCCCCCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1)C(=O)Oc1cccc([N+](C)(C)C)c1,675180,MOL,0,Cholinergic (ophthalmic),1959.0
CHEMBL1201231,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O,675182,MOL,0,Glucocorticoid,1973.0
CHEMBL1201232,CC(C)[N+](C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)C(C)C,675183,MOL,0,Anticholinergic,1957.0
CHEMBL1201234,CNC(C)(C)Cc1ccccc1,675185,MOL,0,Adrenergic (vasoconstrictor),1951.0
CHEMBL1201236,C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O,675187,MOL,0,Inhibitor (decarboxylase),1975.0
CHEMBL1201237,CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O,675188,MOL,0,Anti-Adrenergic (beta-receptor),1985.0
CHEMBL1201239,CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I,675190,MOL,0,Diagnostic Aid (radiopaque medium),
CHEMBL1201242,CC(C)NCCCC1(C(N)=O)c2ccccc2-c2ccccc21,675193,MOL,0,Cardiac Depressant (anti-arrhythmic),1989.0
CHEMBL1201243,CN(C)/C=N/c1c(I)cc(I)c(CCC(=O)O)c1I,675194,MOL,0,Diagnostic Aid (radiopaque medium),1962.0
CHEMBL1201244,C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1,675195,MOL,0,Neuromuscular Blocking Agent,1994.0
CHEMBL1201245,CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1,675196,MOL,0,Antihistaminic,1954.0
CHEMBL1201247,CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O,675198,MOL,0,LHRH Agonist,1989.0
CHEMBL1201248,COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC,675199,MOL,0,Neuromuscular Blocking Agent,1995.0
CHEMBL1201250,CCN(CC)C(=O)C1CN2CCc3cc(OC)c(OC)cc3C2CC1OC(C)=O,675201,MOL,0,Anti-Emetic,1974.0
CHEMBL1201251,Oc1ccc(CCCCNC[C@H](O)c2ccc(O)c(O)c2)cc1,675202,MOL,0,Stimulant (cardiac),1997.0
CHEMBL1201255,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1,675206,MOL,0,LHRH Agonist,1991.0
CHEMBL1201256,COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC,675207,MOL,0,Anti-Emetic,1974.0
CHEMBL1201260,C/N=C(\NC)NCc1ccccc1,675211,MOL,0,Antihypertensive,1982.0
CHEMBL1201261,CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)O)c1I,675212,MOL,0,"Diagnostic Aid (radiopaque medium, cholecystographic)",1969.0
CHEMBL1201262,CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1,675213,MOL,0,"Adrenergic (ophthalmic),Antiglaucoma Agent",1980.0
CHEMBL1201263,CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,675214,MOL,0,,1956.0
CHEMBL1201264,CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21,675215,MOL,0,,1951.0
CHEMBL1201265,C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(=O)O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12,675216,MOL,0,"Adrenocortical Steroid,Glucocorticoid",1959.0
CHEMBL1201266,N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1,675217,MOL,0,Anti-Asthmatic; Anti-Allergic,1993.0
CHEMBL1201269,CC(C)(N)Cc1ccc(Cl)cc1,675220,MOL,0,Anorexic,1982.0
CHEMBL1201270,C1N2CN3CN1CN(C2)C3,675221,MOL,0,Antibacterial (urinary),1967.0
CHEMBL1201271,CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1,675222,MOL,0,Antinauseant,1982.0
CHEMBL1201273,CC(Cc1ccc2c(c1)OCO2)NCC(O)c1ccc(O)c(O)c1,675224,MOL,0,,1982.0
CHEMBL1201274,CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1,675225,MOL,0,Anti-Adrenergic (beta-receptor),2000.0
CHEMBL1201281,O=C(O)CCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1,675232,MOL,0,Antirickettsial; Antibacterial,1959.0
CHEMBL1201284,C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12,675235,MOL,0,,2004.0
CHEMBL1201286,CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,675237,MOL,0,,1982.0
CHEMBL1201287,CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1,675238,MOL,0,Antihistaminic,1963.0
CHEMBL1201288,O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1,675239,MOL,0,Relaxant (skeletal muscle),1974.0
CHEMBL1201289,CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC,675240,MOL,0,,1986.0
CHEMBL1201290,[K],675241,MOL,0,,
CHEMBL1201291,CNC(=O)c1c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c(I)c(N(C)C(C)=O)c1I,675242,MOL,0,Diagnostic Aid (radiopaque medium),1985.0
CHEMBL1201293,CC(=O)NCCCS(=O)(=O)O,675244,MOL,0,,2004.0
CHEMBL1201294,CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1,675245,MOL,0,Antiperistaltic,1960.0
CHEMBL1201295,Cc1ccc(C(=O)Oc2ccc(C(O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1,675246,MOL,0,Bronchodilator,1984.0
CHEMBL1201300,CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I,675251,MOL,0,"Diagnostic Aid (radiopaque medium),Radioactive Agent",1962.0
CHEMBL1201301,,675252,NONE,0,,1997.0
CHEMBL1201302,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)(O)O,675253,MOL,0,Glucocorticoid,1959.0
CHEMBL1201303,Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1,675254,MOL,0,Anthelmintic,1982.0
CHEMBL1201304,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21,675255,MOL,0,,1959.0
CHEMBL1201308,CC(C)NC(C)Cc1ccc(I)cc1,675259,MOL,0,Radioactive Agent; Diagnostic Aid,1987.0
CHEMBL1201309,CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O,675260,BOTH,0,LHRH Agonist,1990.0
CHEMBL1201313,CN(C)CCC(O)(c1ccccc1)c1ccccc1Cl,675264,MOL,0,Antitussive,1982.0
CHEMBL1201314,CC(C)[C@H](N)C(=O)OCC(CO)OCn1cnc2c(=O)[nH]c(N)nc21,675265,MOL,0,Antiviral,2001.0
CHEMBL1201315,,675266,NONE,0,,
CHEMBL1201317,O=P(O)(O)OCC(Cl)(Cl)Cl,675268,MOL,0,Sedative-Hypnotic,1982.0
CHEMBL1201319,C[C@H](N)[C@H](O)c1cccc(O)c1,675270,MOL,0,Adrenergic,1954.0
CHEMBL1201320,COc1ccc2[nH]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1,675271,MOL,0,,2001.0
CHEMBL1201321,N#CC(CCN1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1,675272,MOL,0,Antiperistaltic,1978.0
CHEMBL1201322,CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1,675273,MOL,0,Detergent,
CHEMBL1201323,NCCc1cc[nH]n1,675274,MOL,0,,1982.0
CHEMBL1201325,C[N+]1(C)CCN(CC(O)(c2ccccc2)C2CCCCC2)CC1,675276,MOL,0,,1982.0
CHEMBL1201326,[Rb],675277,MOL,0,,
CHEMBL1201327,CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I,675278,MOL,0,,
CHEMBL1201328,CCC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2,675279,MOL,0,Antipsychotic,1982.0
CHEMBL1201329,O=C1N(Cc2ccccc2)C2C[S+]3CCCC3C2N1Cc1ccccc1,675280,MOL,0,Antihypertensive,1982.0
CHEMBL1201334,CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O,675285,BOTH,0,Antineoplastic,2000.0
CHEMBL1201335,C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1,675286,MOL,0,Anticholinergic,1961.0
CHEMBL1201336,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O,675287,MOL,0,Anticonvulsant,1996.0
CHEMBL1201338,CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1,675289,MOL,0,Anticholinergic (ophthalmic),1974.0
CHEMBL1201340,C[N+]1(C)CCC(=C(c2ccccc2)c2ccccc2)CC1,675291,MOL,0,,1982.0
CHEMBL1201341,CCOP(=O)(OCC)SCC[N+](C)(C)C,675292,MOL,0,Cholinergic (ophthalmic),1960.0
CHEMBL1201342,CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1,675293,MOL,0,Relaxant (smooth muscle),1982.0
CHEMBL1201345,CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)O,675296,MOL,0,,1946.0
CHEMBL1201346,O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1,675297,MOL,0,Anti-Inflammatory (gastrointestinal),2000.0
CHEMBL1201347,CCOC(=O)C1(c2ccccc2)CCN(CCc2ccc(N)cc2)CC1,675298,MOL,0,Analgesic (narcotic),1982.0
CHEMBL1201349,C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21,675300,MOL,0,Relaxant (skeletal muscle); Synergist (succinylcholine),1982.0
CHEMBL1201353,CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1,675304,MOL,0,Antihistaminic,1981.0
CHEMBL1201354,CC[N+](CC)(CC)CCC(O)(c1ccccc1)C1CCCCC1,675305,MOL,0,,1954.0
CHEMBL1201355,CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,675306,BOTH,0,Stimulant (gastric secretory),1982.0
CHEMBL1201356,CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,675307,MOL,0,Oxytocic,1946.0
CHEMBL1201389,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)O,675340,MOL,0,,
CHEMBL1201409,,675499,SEQ,0,Radioactive Agent,1983.0
CHEMBL1201410,,675415,SEQ,0,Radioactive Agent,
CHEMBL1201411,,675517,NONE,0,,
CHEMBL1201412,,675471,SEQ,0,,
CHEMBL1201413,,675513,NONE,0,Radioactive Agent,1999.0
CHEMBL1201414,,675528,NONE,0,Antithrombotic; Anticoagulant,2000.0
CHEMBL1201419,,675530,SEQ,0,,2004.0
CHEMBL1201420,,675518,SEQ,0,Plasminogen Activator,2007.0
CHEMBL1201421,,675418,NONE,0,,2004.0
CHEMBL1201431,,675570,SEQ,0,Cystic Fibrosis Therapy Adjunct,1993.0
CHEMBL1201438,,675456,SEQ,0,Biological Response Modifier; Antineoplastic; Immunostimulant,1992.0
CHEMBL1201439,,675419,SEQ,0,,1998.0
CHEMBL1201441,,675516,NONE,0,Antibacterial,1970.0
CHEMBL1201444,,675460,NONE,0,,1982.0
CHEMBL1201446,,675433,NONE,0,Barrier for The Prevention of Allergic Contact Dermatitis,1996.0
CHEMBL1201447,,675443,NONE,0,,1998.0
CHEMBL1201448,,675462,NONE,0,Anticoagulant,1997.0
CHEMBL1201450,,675411,SEQ,0,Radioactive Agent,1976.0
CHEMBL1201451,,675406,SEQ,0,Blood Volume Supporter,1997.0
CHEMBL1201452,,675407,SEQ,0,Diagnostic Aid (blood volume determination); Radioactive Agent,1976.0
CHEMBL1201453,,675408,SEQ,0,Diagnostic Aid (intrathecal imaging); Radioactive Agent; Diagnostic Aid (blood volume determination),
CHEMBL1201454,,675463,NONE,0,,1982.0
CHEMBL1201457,,675430,NONE,0,Anti-Urolithic,1982.0
CHEMBL1201458,,675416,NONE,0,Diagnostic Aid (radiopaque medium),1954.0
CHEMBL1201459,,675539,NONE,0,,1964.0
CHEMBL1201460,,675574,NONE,0,Anticoagulant; Antithrombotic,1994.0
CHEMBL1201461,,675464,NONE,0,Antitussive,1982.0
CHEMBL1201463,,675465,NONE,0,Antitussive,1985.0
CHEMBL1201464,,675508,SEQ,0,,2000.0
CHEMBL1201465,,675559,NONE,0,Enzyme (proteolytic),1959.0
CHEMBL1201466,,675552,NONE,0,,1999.0
CHEMBL1201467,,675596,NONE,0,,2004.0
CHEMBL1201468,,675571,NONE,0,Estrogen,1977.0
CHEMBL1201469,,675500,NONE,0,Antibacterial,1968.0
CHEMBL1201470,,675466,NONE,0,Antitussive,1987.0
CHEMBL1201471,,675538,NONE,0,Pharmaceutic Aid (emulsifying agent); Pharmaceutic Aid (tablet coating agent); Protectant (topical),
CHEMBL1201472,,675492,NONE,0,,2002.0
CHEMBL1201473,,675572,NONE,0,Antihyperlipidemic,2000.0
CHEMBL1201474,,675562,NONE,0,Antihyperlipidemic,1977.0
CHEMBL1201476,,675454,NONE,0,,1993.0
CHEMBL1201477,,675467,NONE,0,,1957.0
CHEMBL1201478,,675447,NONE,0,Pharmaceutic Aid (suppository base); Pharmaceutic Aid (tablet excipient); Pharmaceutic Aid (solvent); Pharmaceutic Aid (ointment base); Pharmaceutic Aid (tablet and/or capsule lubricant),
CHEMBL1201479,,675520,NONE,0,,1984.0
CHEMBL1201480,,675450,NONE,0,,2000.0
CHEMBL1201481,,675597,NONE,0,Antineoplastic,1995.0
CHEMBL1201482,,675598,NONE,0,,1996.0
CHEMBL1201483,,675599,NONE,0,Nasal Decongestant,1987.0
CHEMBL1201484,,675556,NONE,0,Ion-Exchange Resin (potassium),1958.0
CHEMBL1201485,,675511,NONE,0,Pharmaceutic Necessity,
CHEMBL1201486,,675468,NONE,0,,1982.0
CHEMBL1201487,,675600,NONE,0,,1998.0
CHEMBL1201488,,675369,SEQ,0,,2004.0
CHEMBL1201489,,675424,SEQ,0,Hormone (adrenocorticotropic),1978.0
CHEMBL1201490,,675506,SEQ,0,Diagnostic Aid; Growth Hormone-Releasing Hormone,1990.0
CHEMBL1201492,,675495,NONE,0,Antihyperphosphatemic,1998.0
CHEMBL1201493,,675601,NONE,0,,1998.0
CHEMBL1201494,,675527,NONE,0,,1999.0
CHEMBL1201495,,675496,NONE,0,Enzyme (proteolytic),1969.0
CHEMBL1201496,,675441,SEQ,0,,2000.0
CHEMBL1201497,,675383,SEQ,0,,2000.0
CHEMBL1201498,,675602,NONE,0,,
CHEMBL1201501,,675469,NONE,0,,2002.0
CHEMBL1201502,,675551,NONE,0,Diagnostic Aid (paramagnetic),1996.0
CHEMBL1201503,,675603,NONE,0,Diagnostic Aid (paramagnetic),1996.0
CHEMBL1201504,,675405,SEQ,0,Diagnostic Aid (vascular patency); Radioactive Agent,1976.0
CHEMBL1201505,,675522,NONE,0,,1964.0
CHEMBL1201506,,675524,SEQ,0,,2000.0
CHEMBL1201507,,675604,NONE,0,Immunomodulator,1996.0
CHEMBL1201509,,675623,SEQ,0,Gonad-Stimulating Principle,1973.0
CHEMBL1201512,,675519,NONE,0,Antisense Antiviral Used In The Therapy of Cytomegalovirus Retinitis,1998.0
CHEMBL1201513,,675473,NONE,0,Anticoagulant,1982.0
CHEMBL1201514,,675398,SEQ,0,Replacement Therapy (adenosine deaminase deficiency),1990.0
CHEMBL1201515,,675474,SEQ,0,,2003.0
CHEMBL1201516,,675428,NONE,0,Anti-Inflammatory (interstitial cystitis),1996.0
CHEMBL1201517,,675504,NONE,0,,2000.0
CHEMBL1201519,,675491,NONE,0,,2000.0
CHEMBL1201520,,675507,SEQ,0,Hormone (follicle-stimulating),1986.0
CHEMBL1201522,,675414,SEQ,0,Radioactive Agent; Diagnostic Aid (lung imaging),
CHEMBL1201524,,675605,NONE,0,,1998.0
CHEMBL1201525,,675420,NONE,0,,
CHEMBL1201526,,675514,NONE,0,Radioactive Agent,
CHEMBL1201527,,675448,NONE,0,Radioactive Agent,1991.0
CHEMBL1201528,,675409,SEQ,0,,1982.0
CHEMBL1201529,,675452,NONE,0,Radioactive Agent,
CHEMBL1201531,,675438,NONE,0,,1982.0
CHEMBL1201532,,675540,SEQ,0,,1953.0
CHEMBL1201533,,675607,SEQ,0,Thyroid Hormone,1998.0
CHEMBL1201534,,675608,NONE,0,Antithrombotic,1996.0
CHEMBL1201535,,675476,NONE,0,Adrenergic (vasoconstrictor),1984.0
CHEMBL1201536,,675444,NONE,0,Smoking Cessation Adjunct,1984.0
CHEMBL1201537,,675477,NONE,0,,1958.0
CHEMBL1201538,,675366,SEQ,0,Antidiabetic,1996.0
CHEMBL1201539,,675478,SEQ,0,,1966.0
CHEMBL1201540,,675609,SEQ,0,,1982.0
CHEMBL1201541,,675610,SEQ,0,,1980.0
CHEMBL1201542,,675547,SEQ,0,,1982.0
CHEMBL1201543,,675510,SEQ,0,,1983.0
CHEMBL1201544,,675442,NONE,0,Hematinic,
CHEMBL1201545,,675436,SEQ,0,,1982.0
CHEMBL1201546,,675560,SEQ,0,,1980.0
CHEMBL1201548,,675611,NONE,0,Detergent,1990.0
CHEMBL1201549,,675370,SEQ,0,Diagnostic Aid (hypocalcemia),1987.0
CHEMBL1201550,,675367,SEQ,0,Antineoplastic; Biological Response Modifier,1999.0
CHEMBL1201554,,675404,SEQ,0,,
CHEMBL1201556,,675377,SEQ,0,Chronic Dermal Ulcers Treatment (promotes the proliferation of mesenchymally-derived cells),1997.0
CHEMBL1201557,,675613,SEQ,0,Biological Response Modifier; Antiviral,1997.0
CHEMBL1201558,,675368,SEQ,0,Antineoplastic; Biological Response Modifier,1986.0
CHEMBL1201560,,675549,SEQ,0,,2002.0
CHEMBL1201561,,675616,SEQ,0,,2001.0
CHEMBL1201562,,675521,SEQ,0,Biological Response Modifier; Antineoplastic,1996.0
CHEMBL1201563,,675558,SEQ,0,Immunomodulator,1993.0
CHEMBL1201564,,675394,SEQ,0,Immunoregulator; Antineoplastic; Biological Response Modifier,1999.0
CHEMBL1201565,,675361,SEQ,0,Hematinic; Anti-Anemic,1989.0
CHEMBL1201566,,675493,SEQ,0,,2001.0
CHEMBL1201567,,675434,SEQ,0,Antineutropenic; Hematopoietic Stimulant,1991.0
CHEMBL1201568,,675363,SEQ,0,,2002.0
CHEMBL1201569,,675387,SEQ,0,,2000.0
CHEMBL1201570,,675577,SEQ,0,Suppressant (inflammatory bowel disease); Anti-Inflammatory (nonsteroidal),2001.0
CHEMBL1201571,,675480,SEQ,0,,2003.0
CHEMBL1201572,,675371,SEQ,0,,1998.0
CHEMBL1201573,,675548,SEQ,0,Hematopoietic Stimulant,1997.0
CHEMBL1201574,,675360,SEQ,0,,1991.0
CHEMBL1201575,,675481,SEQ,0,,2003.0
CHEMBL1201576,,675578,SEQ,0,Monoclonal Antibody; Antineoplastic (microtubule inhibitor),1997.0
CHEMBL1201577,,675579,SEQ,0,,2004.0
CHEMBL1201579,,675502,SEQ,0,Monoclonal Antibody,1996.0
CHEMBL1201580,,675482,SEQ,0,,2002.0
CHEMBL1201581,,675617,SEQ,0,,1998.0
CHEMBL1201582,,675575,SEQ,0,Immunizing Agent (passive),
CHEMBL1201583,,675483,SEQ,0,,2004.0
CHEMBL1201584,,675576,SEQ,0,Monoclonal Antibody (antithrombotic),1993.0
CHEMBL1201585,,675581,SEQ,0,,1998.0
CHEMBL1201586,,675484,SEQ,0,,1998.0
CHEMBL1201587,,675582,SEQ,0,,2001.0
CHEMBL1201589,,675485,SEQ,0,,2003.0
CHEMBL1201591,,675392,SEQ,0,Hormone (corticotropin-releasing); Diagnostic Aid (adrenocortical insufficiency); Diagnostic Aid (cushing's syndrome),1996.0
CHEMBL1201593,,675431,SEQ,0,Plasminogen Activator,1996.0
CHEMBL1201594,,675388,SEQ,0,,2002.0
CHEMBL1201595,,675399,SEQ,0,,2003.0
CHEMBL1201599,,675486,SEQ,0,Immunizing Agent (passive),
CHEMBL1201600,,675453,SEQ,0,Immunizing Agent (passive),
CHEMBL1201603,,675586,NONE,0,,1982.0
CHEMBL1201604,,675487,SEQ,0,,2003.0
CHEMBL1201605,,675587,SEQ,1,Monoclonal Antibody (immunosuppressant),1997.0
CHEMBL1201606,,675439,SEQ,0,,2002.0
CHEMBL1201607,,675488,SEQ,0,,2004.0
CHEMBL1201608,,675588,SEQ,0,Monoclonal Antibody (immunosuppressant),1986.0
CHEMBL1201609,,675376,SEQ,0,Hormone (adrenocorticotropic); Glucocorticoid; Diagnostic Aid (adrenocortical insufficiency),1955.0
CHEMBL1201610,,675393,SEQ,0,"Diagnostic Aid (adrenocortical insufficiency); Glucocorticoid; Hormone (adrenocorticotropic),Diagnostic Aid (adrenocortical insufficiency); Hormone (adrenocorticotropic); Glucocorticoid",1950.0
CHEMBL1201611,,675446,SEQ,0,,1999.0
CHEMBL1201613,,675589,SEQ,0,,2004.0
CHEMBL1201616,,675494,SEQ,0,,2002.0
CHEMBL1201618,,675501,SEQ,0,,1960.0
CHEMBL1201619,,675554,SEQ,0,Enzyme Inhibitor (proteinase),1993.0
CHEMBL1201620,,675381,SEQ,0,Hormone (growth),1985.0
CHEMBL1201621,,675591,SEQ,0,Hormone (growth),1976.0
CHEMBL1201622,,675553,SEQ,0,,1999.0
CHEMBL1201624,,675546,NONE,0,Pulmonary Surfactant,1991.0
CHEMBL1201625,,675490,NONE,0,,1973.0
CHEMBL1201626,,675593,NONE,0,Enzyme (proteolytic),1982.0
CHEMBL1201627,,675386,SEQ,0,,1985.0
CHEMBL1201628,,675535,SEQ,0,,1966.0
CHEMBL1201629,,675451,SEQ,0,,1980.0
CHEMBL1201630,,675594,SEQ,0,,1979.0
CHEMBL1201631,,675534,SEQ,0,Antidiabetic,1982.0
CHEMBL1201632,,675396,SEQ,0,Enzyme Replenisher (glucocerebrosidase),1994.0
CHEMBL1201633,,675389,SEQ,0,Enzyme Replenisher (glucocerebrosidase),1991.0
CHEMBL1201634,,675541,SEQ,0,,1982.0
CHEMBL1201635,,675542,SEQ,0,,1966.0
CHEMBL1201636,,675561,NONE,0,,2004.0
CHEMBL1201637,,675374,SEQ,0,,1996.0
CHEMBL1201638,,675505,SEQ,0,,1979.0
CHEMBL1201639,,675526,SEQ,0,,1982.0
CHEMBL1201640,,675595,SEQ,0,,1982.0
CHEMBL1201641,,675373,SEQ,0,,1987.0
CHEMBL1201642,,675615,SEQ,0,,1982.0
CHEMBL1201643,,675536,SEQ,0,,1982.0
CHEMBL1201644,,675618,SEQ,0,,1985.0
CHEMBL1201645,,675455,NONE,0,,
CHEMBL1201646,,675619,NONE,0,Diagnostic Aid (renal function determination),
CHEMBL1201647,,675620,NONE,0,Replenisher (fluid and nutrient),
CHEMBL1201648,,675380,SEQ,0,,1996.0
CHEMBL1201649,,675621,NONE,0,Estrogen,1942.0
CHEMBL1201650,,675537,NONE,0,Thyroid Hormone,1982.0
CHEMBL1201651,,675563,NONE,0,Antidote (to heparin),1969.0
CHEMBL1201652,,675564,NONE,0,Replenisher (fluid and nutrient),1984.0
CHEMBL1201653,,675565,SEQ,0,,1979.0
CHEMBL1201655,,675543,SEQ,0,,1980.0
CHEMBL1201656,,675503,SEQ,0,,1979.0
CHEMBL1201657,,675515,NONE,0,Anticoagulant,1939.0
CHEMBL1201658,,675567,NONE,0,,1982.0
CHEMBL1201659,,675544,NONE,0,Antihistaminic,1984.0
CHEMBL1201660,,675568,NONE,0,"Pharmaceutic Aid (vehicle, oleaginous)",
CHEMBL1201661,,675410,SEQ,0,,2005.0
CHEMBL1201662,,675525,NONE,0,Anticoagulant,2003.0
CHEMBL1201664,,675445,SEQ,0,,2001.0
CHEMBL1201666,,675435,SEQ,0,,1998.0
CHEMBL1201668,,675413,SEQ,0,,2001.0
CHEMBL1201670,,675569,SEQ,0,Hematopoietic Stimulant; Antineutropenic,1991.0
CHEMBL1201688,,675630,NONE,1,,
CHEMBL1201692,,675667,SEQ,0,,1997.0
CHEMBL1201697,,675639,SEQ,0,,1975.0
CHEMBL1201716,,675637,SEQ,0,,2005.0
CHEMBL1201717,,675627,SEQ,0,,2005.0
CHEMBL1201718,,675545,NONE,0,,2005.0
CHEMBL1201719,,675622,NONE,0,"Protectant (topical); Pharmaceutic Aid (ointment base, oleaginous)",2006.0
CHEMBL1201721,,675625,NONE,0,,2006.0
CHEMBL1201723,,675628,NONE,0,,2006.0
CHEMBL1201724,,675675,NONE,0,"Anti-Infective, Topical",1985.0
CHEMBL1201726,,675677,NONE,0,,
CHEMBL1201728,CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O=C(O)CCC(=O)O,675679,MOL,0,,2008.0
CHEMBL1201729,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1.Cl,675680,MOL,0,,2009.0
CHEMBL1201731,Cl.OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1,675682,MOL,0,,2007.0
CHEMBL1201733,Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O.Cl,675684,MOL,0,,2009.0
CHEMBL1201734,Cl.Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21,675685,MOL,0,,2008.0
CHEMBL1201735,Br.CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,675686,MOL,0,,2008.0
CHEMBL1201740,Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1.Cl.O,675691,MOL,0,,2007.0
CHEMBL1201743,Cl.N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2,675694,MOL,0,,2009.0
CHEMBL1201745,CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)[O-].C[N+](C)(C)CCO,675696,MOL,0,,2008.0
CHEMBL1201746,C#CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,675697,MOL,0,,2009.0
CHEMBL1201747,CN1CCC(=C2c3ccccc3CCn3c(C=O)cnc32)CC1,675698,MOL,0,,2010.0
CHEMBL1201748,CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@]12C)C3(C)C,675699,MOL,0,,2010.0
CHEMBL1201749,CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,675700,MOL,0,Anti-Inflammatory,2008.0
CHEMBL1201752,C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)N1,675703,MOL,0,,2007.0
CHEMBL1201753,O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1,675704,MOL,0,,2009.0
CHEMBL1201754,NC(=O)c1cn(Cc2c(F)cccc2F)nn1,675705,MOL,0,,2008.0
CHEMBL1201758,O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1,675709,MOL,0,,2009.0
CHEMBL1201759,O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1.O=S(=O)(O)c1ccccc1,675710,MOL,0,,2009.0
CHEMBL1201760,N[C@@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1,675711,MOL,0,,2009.0
CHEMBL1201761,Cl.N[C@@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1,675712,MOL,0,,2009.0
CHEMBL1201764,CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1,675715,MOL,0,,2008.0
CHEMBL1201765,CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1.O=C(O)/C=C/C(=O)O,675716,MOL,0,,2008.0
CHEMBL1201766,CC(C)c1cccc(C(C)C)c1OCOP(=O)(O)O,675717,MOL,0,,2008.0
CHEMBL1201770,C[N+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.[Br-],675721,MOL,0,,2008.0
CHEMBL1201772,CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2,675723,MOL,0,,2009.0
CHEMBL1201773,CC(=O)Oc1cc2c(s1)CCN(C(C(=O)C1CC1)c1ccccc1F)C2.Cl,675724,MOL,0,,2009.0
CHEMBL1201774,C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)nc(O)c2N1,675725,MOL,1,,2007.0
CHEMBL1201775,C[C@H](O)[C@H](O)[C@H]1CNc2[nH]c(N)nc(=O)c2N1.Cl.Cl,675726,MOL,1,,2007.0
CHEMBL1201776,CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C,675727,MOL,0,,2008.0
CHEMBL1201777,CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C.Cl,675728,MOL,0,,2008.0
CHEMBL1201779,,675730,NONE,0,Diagnostic Aid (penicillin sensitivity),1974.0
CHEMBL1201780,NC(=O)N[C@@H](CCC(=O)O)C(=O)O,675731,MOL,1,,2010.0
CHEMBL1201782,CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.C[C@@H](O[C@H]1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,675733,MOL,0,,2008.0
CHEMBL1201784,CCCCCCOC(=O)CCC(=O)CN,675735,MOL,0,,2010.0
CHEMBL1201785,CCCCCCOC(=O)CCC(=O)CN.Cl,675736,MOL,0,,2010.0
CHEMBL1201787,CCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1.[Cl-],675738,MOL,0,Pharmaceutic Aid (surfactant),1982.0
CHEMBL1201794,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C,675745,MOL,0,Vitamin,1985.0
CHEMBL1201798,C=CCN.ClCC1CO1,675749,MOL,0,,2007.0
CHEMBL1201799,C=CCN.ClCC1CO1.O=C(O)O,675750,MOL,0,,2007.0
CHEMBL1201821,,675772,SEQ,0,,2005.0
CHEMBL1201822,,675773,SEQ,0,,2005.0
CHEMBL1201823,,675774,SEQ,0,,2006.0
CHEMBL1201824,,675775,SEQ,0,,2006.0
CHEMBL1201825,,675776,SEQ,0,,2006.0
CHEMBL1201826,,675777,NONE,0,,2006.0
CHEMBL1201827,,675778,SEQ,0,,2006.0
CHEMBL1201828,,675779,SEQ,1,,2007.0
CHEMBL1201830,,675781,SEQ,0,,2008.0
CHEMBL1201831,,675782,SEQ,0,,2008.0
CHEMBL1201832,,675783,SEQ,0,,2008.0
CHEMBL1201833,,675784,SEQ,0,,2009.0
CHEMBL1201834,,675785,SEQ,0,,2009.0
CHEMBL1201835,,675786,SEQ,1,,2009.0
CHEMBL1201836,,675787,SEQ,0,,2009.0
CHEMBL1201837,,675788,SEQ,0,,2009.0
CHEMBL1201863,Cc1c(OCC(F)(F)F)ccnc1C[S@@+]([O-])c1nc2ccccc2[nH]1,675812,MOL,0,,2009.0
CHEMBL1201864,C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N,675813,MOL,0,,2010.0
CHEMBL1201865,,675814,SEQ,0,,2010.0
CHEMBL1201867,,675816,NONE,0,,2009.0
CHEMBL1201891,CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C,675842,MOL,1,Anti-Inflammatory,2017.0
CHEMBL1202,Cl.O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,210388,MOL,0,Antibacterial,1987.0
CHEMBL1204165,C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1.Cl,678116,MOL,0,Anti-Adrenergic (beta-receptor); Antihypertensive,1990.0
CHEMBL1204644,CN(CC(=O)O)C(=N)NP(=O)(O)O,678595,MOL,0,,
CHEMBL1205,CS(=O)(=O)O.Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C,213505,MOL,0,Antiviral,1997.0
CHEMBL1206,CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21,213639,MOL,0,Antiparkinsonian,1982.0
CHEMBL1206232,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(O)O,680183,MOL,0,,
CHEMBL1206690,CCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1,680641,MOL,0,,
CHEMBL1207745,CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)O)c3O[C@H]2C[C@H]1O,681696,MOL,0,Platelet Aggregation Inhibitor,
CHEMBL1208,CCn1nc(C(=O)O)c(=O)c2cc3c(cc21)OCO3,214701,MOL,0,Antibacterial,1980.0
CHEMBL1208155,COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F,682106,MOL,1,,2018.0
CHEMBL1208422,O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12,682373,MOL,0,,1971.0
CHEMBL1208642,O=S(=O)(O)S,682593,MOL,0,Antidote (to cyanide poisoning),1992.0
CHEMBL121,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1,20027,MOL,0,Antidiabetic,1999.0
CHEMBL1213135,C[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O=C(O)/C=C\C(=O)O,684975,MOL,0,Oxytocic,
CHEMBL1213136,CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C.O=[N+]([O-])O,684976,MOL,0,Cholinergic (ophthalmic),
CHEMBL1213165,C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c([O-])c3C(=O)N21.[Na+],685006,MOL,0,,2013.0
CHEMBL1213250,Cn1c(N)c(NC(=O)NCCN)c[n+]1CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC(C)(C)C(=O)[O-])c3nsc(N)n3)[C@H]2SC1.O=S(=O)(O)O,685091,MOL,0,,2014.0
CHEMBL1213252,O=C(O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O,685093,MOL,0,Tranquilizer (minor),1972.0
CHEMBL1213327,CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS,685169,MOL,0,,
CHEMBL1213351,CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C,685193,MOL,0,Analgesic,1957.0
CHEMBL1213456,COc1c(N2C[C@@H](C)C[C@H](N)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12,685299,MOL,0,,
CHEMBL1213492,CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(C(=O)NO)cc3)ccc2c1,685336,MOL,0,,
CHEMBL1213553,CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1,685397,MOL,0,,
CHEMBL1213583,C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC,685428,MOL,0,Progestin,
CHEMBL1214,CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,218758,MOL,0,Antibacterial,
CHEMBL1214124,N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O,685974,MOL,1,,2012.0
CHEMBL1214185,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O,686036,MOL,0,Antibacterial,
CHEMBL1214598,CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12,686453,MOL,0,,
CHEMBL1215,CNC[C@H](O)c1cccc(O)c1,219334,MOL,0,Adrenergic (ophthalmic),1952.0
CHEMBL121626,Cc1c(Cl)cccc1Nc1ccccc1C(=O)O,199490,MOL,0,,
CHEMBL121663,Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21.[Cl-].[Cl-],201284,MOL,0,,
CHEMBL1218,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3,221962,MOL,1,,2005.0
CHEMBL1219,COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C,222203,MOL,0,Anti-Ulcerative; Gastric Acid Pump Inhibitor,1999.0
CHEMBL12198,CC(N)C(=O)O,9400,MOL,0,Amino Acid,
CHEMBL122,CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1,21697,MOL,0,,1999.0
CHEMBL1220,CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C,222633,MOL,0,Antiprotozoal,2004.0
CHEMBL1221,Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,223819,MOL,0,Antifungal,1985.0
CHEMBL1222250,OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,688684,MOL,0,Pharmaceutic Aid (tablet coating agent); Pharmaceutic Aid (tablet binder),
CHEMBL1222251,O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O,688685,MOL,0,,
CHEMBL1223,CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+],226400,MOL,0,Antibacterial,1947.0
CHEMBL1224,Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1,226880,MOL,0,Antihistaminic,1994.0
CHEMBL1228,CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O,227917,MOL,0,Antirheumatic; Anti-Inflammatory,1960.0
CHEMBL1229,CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1,228121,MOL,0,,1999.0
CHEMBL1229211,C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21,691562,MOL,0,,2013.0
CHEMBL1229517,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F,691867,MOL,1,,2011.0
CHEMBL1229846,OCCOc1ccccc1,692196,MOL,0,,
CHEMBL1229908,CCN(CC)C(=O)c1ccc(O)c(OC)c1,692258,MOL,0,Stimulant (central and respiratory),
CHEMBL1229937,O=C(CO)CO,692287,MOL,0,,
CHEMBL1230191,O=P(O)(O)OP(=O)(O)OP(=O)(O)O,692541,MOL,0,,
CHEMBL1230245,C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)nc(N)c2N1,692595,MOL,0,,
CHEMBL1230314,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2O,692664,MOL,0,,2021.0
CHEMBL1230866,[Ag+],693216,MOL,0,,
CHEMBL1231,CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1,229058,MOL,0,Anticholinergic,1975.0
CHEMBL1231052,[AsH3],693402,MOL,0,,
CHEMBL1231160,NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c(N[C@H]4CCc5ccccc54)ncnc32)C[C@@H]1O,693510,MOL,0,,
CHEMBL1231574,CN1c2c([nH]c(N)nc2=O)NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,693924,MOL,0,,2010.0
CHEMBL1231700,C[N+](C)(C)CCOP(=O)(O)OP(=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O,694050,MOL,0,Post-Stroke And Post-Head Trauma Treatment,
CHEMBL1231723,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,694073,MOL,0,,2010.0
CHEMBL12318,O=P(O)(O)C(Cl)(Cl)P(=O)(O)O,10423,MOL,0,Regulator (calcium),
CHEMBL1231840,[C-]#[O+],694190,MOL,0,Radioactive Agent; Diagnostic Aid (blood volume determination),
CHEMBL1231871,O=C=O,694221,MOL,0,Stimulant (respiratory),
CHEMBL1232,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)[O-])c4)C3)[C@H](C)[C@H]12.[Na+],229172,MOL,0,,2001.0
CHEMBL1232510,CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cc(-c4cccc(N)c4)nn3)C(=O)O[C@]12C,694860,MOL,0,,
CHEMBL1232767,F,695117,MOL,0,,
CHEMBL1232801,Nc1nc(=O)c2c([nH]1)NC[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O,695151,MOL,0,,
CHEMBL1233,CCCC(C)(COC(N)=O)COC(=O)NC(C)C,230249,MOL,0,Relaxant (skeletal muscle),1959.0
CHEMBL1233058,OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,695408,MOL,0,,
CHEMBL1233511,O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O,695861,MOL,0,Pharmaceutic Aid,
CHEMBL1233528,CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)N[C@H]4CC[C@H](N5CCN(CC6CC6)CC5)CC4)cc3OC)nc2N1C(C)C,695878,MOL,0,,
CHEMBL1234,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O,230444,MOL,0,Antidote (to iron poisoning); Chelating Agent,1968.0
CHEMBL1234270,Nc1nc(=O)c2c([nH]1)NC[C@@H]1CN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CN21,696620,MOL,0,,
CHEMBL1234579,N#[N+][O-],696929,MOL,0,Anesthetic (inhalation),
CHEMBL1234886,O=O,697236,MOL,0,"Gas, Medicinal",2015.0
CHEMBL1235478,,697828,NONE,0,,
CHEMBL123558,CN1CCN(CCCCN2C(=O)CN(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)CC1,208679,MOL,0,Cardiac Depressant (anti-arrhythmic),
CHEMBL1235646,C=C1CS[C@H]([C@H](NC(=O)CCCC[C@@H](N)C(=O)O)C(=O)O)N=C1C(=O)O,697996,MOL,0,,
CHEMBL1235931,CC(=O)CCC(=O)O,698281,MOL,0,Replenisher (calcium),
CHEMBL1236183,O=C(CO)[C@@H](O)[C@@H](O)[C@H](O)CO,698533,MOL,0,,
CHEMBL1236395,OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,698745,MOL,0,,
CHEMBL1236802,[Xe],699152,MOL,0,"Diagnostic Aid; Radioactive Agent; Gas, Medicinal,Radioactive Agent",1982.0
CHEMBL1236970,[Zn+2],699320,MOL,0,,
CHEMBL1237,NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O,230659,MOL,0,Antihypertensive,1987.0
CHEMBL1237021,O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1,699372,MOL,0,,2010.0
CHEMBL1237022,,699373,SEQ,0,,2005.0
CHEMBL1237023,,699374,SEQ,0,,2010.0
CHEMBL1237024,,699375,NONE,1,,
CHEMBL1237025,,699376,SEQ,0,,2010.0
CHEMBL1237026,,699377,SEQ,0,,2010.0
CHEMBL1237044,COc1cccc(C2(O)CCCCC2CN(C)C)c1,699395,MOL,0,Analgesic,1995.0
CHEMBL1237054,CO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1Cc2cc3cc(O[C@H]4C[C@@H](O[C@@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@@H]2C[C@@H](O)[C@@H](O[C@@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@H](O)[C@@H](C)O1,699405,MOL,0,Antineoplastic,1970.0
CHEMBL1237055,CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5.Cl,699406,MOL,0,Analgesic (narcotic),1984.0
CHEMBL1237061,O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.[Ca+2],699412,MOL,0,,2009.0
CHEMBL1237065,COc1cccc(C2(O)CCCCC2CN(C)C)c1.Cl,699416,MOL,0,Analgesic,1995.0
CHEMBL1237066,O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Ca+2],699417,MOL,0,Replenisher (calcium),
CHEMBL1237070,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)[O-])c5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)no2)cc1.[Na+],699421,MOL,0,,2005.0
CHEMBL1237072,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O,699423,MOL,0,,1995.0
CHEMBL1237080,CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2.Cl,699431,MOL,0,Anti-Emetic,1993.0
CHEMBL1237082,CNC1(C)C2CCC(C2)C1(C)C.Cl,699433,MOL,0,Antihypertensive,1956.0
CHEMBL1237099,COc1cc(CC2c3c(cc(OC)c(OC)c3OC)CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCc3cc(OC)c(OC)c(OC)c3C2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.[Cl-].[Cl-],699450,MOL,0,Neuromuscular Blocking Agent,1991.0
CHEMBL1237102,C[C@@H]1CN([C@H]2CC[C@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1.Cl,699453,MOL,0,Antihistaminic,1993.0
CHEMBL1237104,CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C.Cl,699455,MOL,0,Analgesic,1957.0
CHEMBL1237105,CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O.NC(CO)(CO)CO,699456,MOL,0,Oxytocic,1979.0
CHEMBL1237111,,699462,NONE,0,,1994.0
CHEMBL1237119,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O,699470,MOL,0,,2002.0
CHEMBL1237122,CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O,699473,MOL,0,Oxytocic,1979.0
CHEMBL1237123,COc1cc(CC2c3c(cc(OC)c(OC)c3OC)CC[N+]2(C)CCCOC(=O)CCC(=O)OCCC[N+]2(C)CCc3cc(OC)c(OC)c(OC)c3C2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,699474,MOL,0,Neuromuscular Blocking Agent,1991.0
CHEMBL1237132,CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,699483,MOL,0,,2008.0
CHEMBL1237135,CNCCCC12CCC(c3ccccc31)c1ccccc12.Cl,699486,MOL,0,Antidepressant,1980.0
CHEMBL1238,O=C(O)CCCCCCCC(=O)O,230691,MOL,0,Anti-Acne,1995.0
CHEMBL1239,O=C(OCc1ccccc1)c1ccccc1,230966,MOL,0,,1976.0
CHEMBL1240,CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C.[Br-],230999,MOL,0,Anticholinergic,1953.0
CHEMBL1241,CN(C)CCN(Cc1ccccc1)c1ccccn1,231013,MOL,0,Antihistaminic,1948.0
CHEMBL1241348,C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(=O)C(C)C)n3)nc3c(Br)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)O,700566,MOL,0,,
CHEMBL1241855,COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCC(=O)O)c2)c(OC)c1,701078,MOL,0,,
CHEMBL1241951,COc1cccc(N2CCN(C3=Nc4c(F)cccc4[C@H](CC(=O)O)N3c3cc(C(F)(F)F)ccc3OC)CC2)c1,701175,MOL,1,,2017.0
CHEMBL1242,Nc1ccc(/N=N/c2ccccc2)c(N)n1,231062,MOL,0,Analgesic (urinary tract),1987.0
CHEMBL1243,Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2)cc1,233590,MOL,0,Antibacterial,1945.0
CHEMBL1245,CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2.O=C1N(Cc2ccccc2)C2C[S+]3CCCC3C2N1Cc1ccccc1,235211,MOL,0,Antihypertensive,1982.0
CHEMBL125,CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C,25047,MOL,1,,2014.0
CHEMBL1251,CC/N=C(\NCC)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCN/C(=N/CC)NCC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,236376,BOTH,0,Gonad-Stimulating Principle,1999.0
CHEMBL1252,CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,237298,BOTH,0,Gonad-Stimulating Principle; Antagonist (LHRH),2003.0
CHEMBL1254025,CO/N=C1/C[C@@H](CO)N(C(=O)c2ccc(-c3ccccc3C)cc2)C1,703484,MOL,0,,
CHEMBL1254682,C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13,704148,MOL,0,,1982.0
CHEMBL1254990,C[C@H](CC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,704459,MOL,0,,
CHEMBL1255,C=O,237763,MOL,0,Disinfectant,
CHEMBL1255654,CCCCNc1ccc(C(=O)OCCN(C)C)cc1.Cl,704633,MOL,0,Anesthetic (local),2016.0
CHEMBL1255739,CN(C)CCN(Cc1cccs1)c1ccccn1.Cl,704719,MOL,0,,
CHEMBL1255794,CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2,704774,MOL,0,,
CHEMBL1255800,CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O[C@H]1[C@H](O)[C@H](OC)[C@H](OC/C2=C\C=C\C[C@H](O)/C(C)=C/[C@H](CC)[C@@H](O[C@@H]3OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]3O)/C(C)=C/C(C)=C/C[C@@H]([C@@H](C)O)OC2=O)O[C@@H]1C,704780,MOL,0,,2011.0
CHEMBL1255871,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O,704852,MOL,0,,
CHEMBL1255891,CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1,704872,MOL,0,,
CHEMBL1255943,Cl.N[C@@H](CCC(=O)O)C(=O)O,704925,MOL,0,,
CHEMBL1256,FC(F)OC(Cl)C(F)(F)F,238127,MOL,0,Anesthetic (inhalation),1979.0
CHEMBL1256137,Cl.NCCS,705121,MOL,0,Anti-Urolithic (cystine calculi),2012.0
CHEMBL1256175,CC(=O)O.CNC(=N)NCCC[C@H](N)C(=O)O,705159,MOL,0,,
CHEMBL1256391,Cc1ccc(=O)n(-c2ccccc2)c1,705377,MOL,1,Antipyretic; Analgesic; Anti-Inflammatory,2011.0
CHEMBL1256400,Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1.Cl,705386,MOL,0,Adrenergic (vasoconstrictor),
CHEMBL1256472,Cl.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1,705459,MOL,0,Antiviral,
CHEMBL1256696,CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O,705687,MOL,0,,
CHEMBL1256723,C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.Cl,705715,MOL,0,,
CHEMBL1256772,CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC.Cl,705764,MOL,0,,
CHEMBL1256786,COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1,705778,MOL,0,Bronchodilator,2001.0
CHEMBL1256818,Br.COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3.O,705811,MOL,0,Antitussive,1984.0
CHEMBL1256819,Cl.c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1,705812,MOL,0,,
CHEMBL1256841,O=C(CCNNC(=O)c1ccncc1)NCc1ccccc1,705834,MOL,0,,
CHEMBL1256842,CN1Cc2c(N)cccc2C(c2ccccc2)C1.O=C(O)/C=C\C(=O)O,705835,MOL,0,Antidepressant,1984.0
CHEMBL1256901,CCCC[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21.[Br-],705894,MOL,0,,
CHEMBL1256958,CNC[C@H](O)c1ccc(O)c(O)c1.O=C(O)C(O)C(O)C(=O)O,705952,MOL,0,Adrenergic (ophthalmic),1965.0
CHEMBL1256987,CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)[O-].[Na+],705981,MOL,0,,
CHEMBL1256994,C[N+](C)(C)CCOP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.[Na+],705988,MOL,0,Post-Stroke And Post-Head Trauma Treatment,
CHEMBL1257,FC(F)OC(F)(F)C(F)Cl,238429,MOL,0,Anesthetic (inhalation),1972.0
CHEMBL1257015,COc1ccc(C(=O)NCc2cccnc2)cc1C(=O)NCc1cccnc1,706010,MOL,0,,
CHEMBL1257030,O=C(O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12,706025,MOL,0,,
CHEMBL1257040,CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1.Cl.Cl,706035,MOL,0,,1959.0
CHEMBL1257051,Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cn2)n1,706046,MOL,0,,
CHEMBL1257070,Cc1oc(=O)oc1COC(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12,706065,MOL,0,,
CHEMBL1257073,O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1,706068,MOL,1,,2018.0
CHEMBL1259,COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3,239465,MOL,0,Neuromuscular Blocking Agent,1982.0
CHEMBL1259059,CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1,708075,MOL,1,,2013.0
CHEMBL126,CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1,26280,MOL,0,Antibacterial,2000.0
CHEMBL1261,O=C(O)CC(O)(CC(=O)O)C(=O)O,240769,MOL,0,,1982.0
CHEMBL12610,CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12,9913,MOL,0,Anti-Inflammatory; Antipyretic; Analgesic,
CHEMBL1262,Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,242303,MOL,0,Antifungal,1988.0
CHEMBL126224,CN(C)CCCn1c2c(c3ccccc31)CCCCCC2,209838,MOL,0,Antidepressant,
CHEMBL1263,OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O,242716,MOL,0,Bronchodilator,1994.0
CHEMBL1265,COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2,244450,MOL,0,Anti-Acne,1996.0
CHEMBL1266,c1ccc2c(c1)CCCC2C1=NCCN1,245084,MOL,0,Adrenergic (vasoconstrictor),1979.0
CHEMBL1269025,CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1,709600,MOL,0,,2015.0
CHEMBL127,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12,26386,MOL,0,Antibacterial,1996.0
CHEMBL1271,C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1,247401,MOL,0,,1982.0
CHEMBL12713,O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1,10813,MOL,0,Antipsychotic; Neuroleptic,
CHEMBL1272,CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O,248669,MOL,0,,1997.0
CHEMBL1274,CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O,249414,MOL,0,Antineoplastic,1996.0
CHEMBL1275,CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21.CS(=O)(=O)O,249814,MOL,0,Dopamine Agonist,1988.0
CHEMBL127516,CCCCOC(=O)c1ccc(N)cc1,209964,MOL,0,Anesthetic (topical),
CHEMBL1275802,CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC)C(C)C,711762,BOTH,0,,
CHEMBL1275839,CNc1ccc(C(=O)CC(O)CC[C@H](C)C2OC(=O)C[C@H](O)CC(=O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)NCCN(C)C)[C@H](C[C@@H](O[C@@H]4O[C@H](C)[C@@H](O)[C@H](NC(=O)CN(C)C)[C@@H]4O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C2C)O3)cc1.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CC(=O)O)C(=O)O,711799,MOL,0,,
CHEMBL1275868,CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)=C(N)N1,711829,MOL,0,,
CHEMBL127592,CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1,209074,MOL,0,Anesthetic (topical),
CHEMBL1276308,CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,712273,MOL,0,,2000.0
CHEMBL1276310,CO[C@@]1(NC(=O)C(C(=O)O)c2ccsc2)C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@@H]21,712275,MOL,0,Antibacterial,
CHEMBL1278,CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1,250297,MOL,0,Antimigraine,1998.0
CHEMBL1279,CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1,250328,MOL,0,,2001.0
CHEMBL128,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1,27111,MOL,0,Antimigraine,1992.0
CHEMBL1280,COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl,250508,MOL,0,Anti-Anginal; Cardiac Depressant (anti-arrhythmic),1981.0
CHEMBL1282,CC(C)Cn1cnc2c(N)nc3ccccc3c21,250908,MOL,0,Immunomodulator,1997.0
CHEMBL12856,Nc1cc(-c2ccncc2)c[nH]c1=O,11066,MOL,0,Cardiotonic,1984.0
CHEMBL1286,CC[C@@H](C(N)=O)N1CCCC1=O,252155,MOL,0,,1999.0
CHEMBL1287853,Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1,714243,MOL,0,,2019.0
CHEMBL1288810,OC[C@@H](O)CN1CCN(c2ccccc2)CC1,715210,MOL,0,,
CHEMBL1289,Clc1cc(Cl)c(OCC#CI)cc1Cl,253862,MOL,0,Antibacterial,1982.0
CHEMBL1289110,CN1c2ccccc2C(NCCCCCCC(=O)O)c2ccc(Cl)cc2S1(=O)=O,715513,MOL,0,,
CHEMBL1289494,COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC,715901,MOL,0,,2021.0
CHEMBL1289601,COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O,716009,MOL,0,,2015.0
CHEMBL1289926,CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1,716337,MOL,0,,2012.0
CHEMBL129,Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O,27307,MOL,0,Antiviral,1987.0
CHEMBL1290,CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1,254975,MOL,0,Anti-Adrenergic (beta-receptor),1987.0
CHEMBL1291,CC(=O)Oc1c(C)cc(OCC(O)CNC(C)C)c(C)c1C,255221,MOL,0,"Antihypertensive (beta-blocker, ophthalmic)",1989.0
CHEMBL1292,CC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1,255347,MOL,0,Antibacterial (tuberculostatic); Antibacterial (leprostatic),1986.0
CHEMBL1293,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1,255373,MOL,0,Ultraviolet Screen,
CHEMBL1294,C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12,255477,MOL,0,Cardiac Depressant (anti-arrhythmic),1950.0
CHEMBL12948,CC1CCC(NC(=O)N(CCCl)N=O)CC1,10881,MOL,0,Antineoplastic,
CHEMBL1295,Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1,255508,MOL,0,Antifungal,1985.0
CHEMBL1296,CN(C)CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3csc(N)n3)[C@H]2SC1,255510,MOL,0,Antibacterial,1988.0
CHEMBL1297,CC(C(=O)O)c1cccc(Oc2ccccc2)c1,255534,MOL,0,"Analgesic; Anti-Inflammatory,Anti-Inflammatory; Analgesic",1976.0
CHEMBL13,COCCc1ccc(OCC(O)CNC(C)C)cc1,789,MOL,0,"Anti-Adrenergic (beta-receptor),Antihypertensive,Antihypertensive; Anti-Anginal",1978.0
CHEMBL130,O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl,27340,MOL,0,Antibacterial; Antirickettsial,1950.0
CHEMBL1301,N=C(N)c1ccc(/C=C/c2ccc(C(=N)N)cc2O)cc1,257016,MOL,0,,1953.0
CHEMBL1303,CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1,258371,MOL,0,,2007.0
CHEMBL1305,c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1,258709,MOL,0,Antihistaminic,1994.0
CHEMBL1306,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,259959,MOL,0,Antifungal,1987.0
CHEMBL1308,Cc1cn[nH]c1,261343,MOL,0,Antidote (alcohol dehydrogenase inhibitor),1997.0
CHEMBL131,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,27370,MOL,0,Glucocorticoid,1955.0
CHEMBL1311,O=[N+]([O-])O[C@@H]1CO[C@@H]2[C@@H](O)CO[C@H]12,263453,MOL,0,Vasodilator (coronary),1991.0
CHEMBL1314,CC(S)C(=O)NCC(=O)O,264400,MOL,0,,1988.0
CHEMBL1314751,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O,738635,MOL,0,,1956.0
CHEMBL1315867,CC(C)(C)NCC(O)c1cc(O)cc(O)c1.CC(C)(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O,739751,MOL,0,,1974.0
CHEMBL1316,CC(C(=O)O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12,264453,MOL,0,Anti-Inflammatory,1987.0
CHEMBL1318287,C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.O=C([O-])[C@H](O)[C@@H](O)C(=O)O.O=C([O-])[C@H](O)[C@@H](O)C(=O)O,742171,MOL,0,,1982.0
CHEMBL1319139,CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1.Cl,743023,MOL,0,Expectorant; Mucolytic,
CHEMBL1319362,Br.CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2,743246,MOL,0,Anticholinergic,
CHEMBL13209,O=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1,11745,MOL,0,Anticonvulsant; Sedative-Hypnotic,
CHEMBL1321,CNNCc1ccc(C(=O)NC(C)C)cc1,266225,MOL,0,Antineoplastic,1969.0
CHEMBL1322218,CCC(NC(C)C)C(O)c1ccc(O)c2nc(O)ccc12.Cl,746102,MOL,0,Bronchodilator,
CHEMBL1322884,CC(C)=CC1C(C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C,746768,MOL,0,,
CHEMBL1323,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1,267163,MOL,0,,2006.0
CHEMBL1323699,CCCCC(CC)COC(=O)c1ccc(N(C)C)cc1,747583,MOL,0,Ultraviolet Screen,
CHEMBL1324,Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1,267825,MOL,0,Antiparkinsonian,1998.0
CHEMBL1324714,CN1CCN(C(c2ccccc2)c2ccccc2)CC1.Cl,748598,MOL,0,Anti-Emetic,
CHEMBL132530,C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1CCC2=O,217341,MOL,0,,
CHEMBL1328,CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,271725,MOL,0,Diagnostic Aid (gastric secretion indicator),1974.0
CHEMBL13280,CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21,11715,MOL,0,Sedative-Hypnotic,
CHEMBL1329455,CCOC(=O)[N-]c1c[n+](N2CCOCC2)no1,753339,MOL,0,,
CHEMBL1329567,O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1.O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1.O=C(O)/C=C/C(=O)O,753451,MOL,0,,
CHEMBL1330596,CC(N)(Cc1ccc(O)cc1)C(=O)O,754480,MOL,0,,
CHEMBL1330729,CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1.Cl,754613,MOL,0,,
CHEMBL1330792,CC(=O)Nc1cc([As](=O)(O)O)ccc1O,754676,MOL,0,,
CHEMBL1331216,CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2,755100,MOL,0,Anticholinergic,
CHEMBL1332032,CC(=O)Oc1cc(C(F)(F)F)ccc1C(=O)O,755916,MOL,0,,
CHEMBL1334033,C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1.O=C(O)/C=C\C(=O)O,757917,MOL,0,Vasodilator (coronary),1974.0
CHEMBL1334078,[Na+].[O-]Cl,757962,MOL,0,Disinfectant,
CHEMBL1334860,CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1,758744,MOL,0,,
CHEMBL1336,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,276734,MOL,0,,2005.0
CHEMBL1337,O=C1CCCC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-],281549,MOL,1,,2002.0
CHEMBL13376,COc1ccc2c(C(=O)c3ccc(Cl)cc3)c(C)n(CC(=O)O)c2c1,11685,MOL,0,,
CHEMBL1339,CCCc1nc(C)c2c(O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nn12.Cl,283529,MOL,0,,2003.0
CHEMBL134,Clc1cccc(Cl)c1N=C1NCCN1,27609,MOL,0,Antihypertensive,1974.0
CHEMBL1341,COC(F)(F)C(Cl)Cl,284208,MOL,0,Anesthetic (inhalation),
CHEMBL1342,O=C(O)CCCO,286065,MOL,0,"Anesthesia, Adjunct To",2002.0
CHEMBL1345,N=C(N)NCCN1CCCCCCC1.O=S(=O)(O)O,289505,MOL,0,Antihypertensive,1960.0
CHEMBL134561,COc1cc(Cc2cnc(N)nc2N)c2c(c1OC)OC(C1CC1)C=C2,221924,MOL,0,,
CHEMBL1346,NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1,291960,MOL,0,,2004.0
CHEMBL1349,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)[nH]c21,297372,MOL,0,Antiviral,1995.0
CHEMBL135,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,27626,MOL,0,Estrogen,1975.0
CHEMBL1350,O=P(O)(O)C(Sc1ccc(Cl)cc1)P(=O)(O)O,299299,MOL,0,Osteoporosis Treatment And Prevention; Paget's Disease Treatment,1997.0
CHEMBL1351,,300022,NONE,0,Antineoplastic,1989.0
CHEMBL1351474,CC1=CC(=O)[N-]S(=O)(=O)O1.[K+],775358,MOL,0,,
CHEMBL1352,O=[N+]([O-])O,304304,MOL,0,Pharmaceutic Aid (acidifying agent),
CHEMBL1353,O=C([O-])O.[Na+],304381,MOL,0,Alkalizer (systemic); Replenisher (electrolyte),1985.0
CHEMBL1354,CC(=O)[O-].[Na+],304383,MOL,0,"Pharmaceutic Aid (in dialysis solutions),Radioactive Agent",1983.0
CHEMBL135400,CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1,224263,MOL,0,,
CHEMBL1354199,C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21.[Br-],778083,MOL,0,,1953.0
CHEMBL1355,O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+],304390,MOL,0,Alkalizer (systemic),1983.0
CHEMBL1356,O=C([O-])c1ccccc1.[Na+],304398,MOL,0,Antihyperammonemic; Pharmaceutic Aid (antifungal agent),1987.0
CHEMBL1357,CC(O)C(=O)[O-].[Na+],304417,MOL,0,Replenisher (electrolyte),
CHEMBL1357648,CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl.O.O,781532,MOL,0,,1982.0
CHEMBL1358,C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O,304798,MOL,0,,2002.0
CHEMBL1359,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)O)c4)C3)[C@H](C)[C@H]12,304903,MOL,0,,2001.0
CHEMBL1360,COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2Cc2ccc(OC)c(OC)c2)cc1OC,306485,MOL,0,Neuromuscular Blocking Agent,1983.0
CHEMBL1363,COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1,308174,MOL,0,,2006.0
CHEMBL1364,Cc1ncc(CO)c(CO)c1O,308201,MOL,0,Vitamin (enzyme co-factor),1985.0
CHEMBL1364144,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,788028,MOL,0,,1959.0
CHEMBL1364551,Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1.Cl.Cl,788435,MOL,0,,
CHEMBL136478,,226851,NONE,0,Antihypertensive,1981.0
CHEMBL1366,,308917,NONE,0,Antirheumatic,1985.0
CHEMBL1366933,CN1CCN2c3ncccc3Cc3ccccc3[C@H]2C1,790817,MOL,0,,
CHEMBL1367605,CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1.Cl,791489,MOL,0,,1991.0
CHEMBL1368,O=P([O-])(O)O.[Na+],311242,MOL,0,,1983.0
CHEMBL137,Cc1ncc([N+](=O)[O-])n1CCO,27912,MOL,0,"Antibacterial,Antiprotozoal (trichomonas)",1963.0
CHEMBL1370,CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,313314,MOL,0,Anti-Inflammatory,1994.0
CHEMBL1370561,Cn1c(=O)c2[nH]cnc2n(C)c1=O.Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCN,794445,MOL,0,Relaxant (smooth muscle),1940.0
CHEMBL1371,O=c1[nH]c2cc(Cl)ccc2o1,315123,MOL,0,Relaxant (skeletal muscle),1958.0
CHEMBL1371200,C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)[O-].[K+],795084,MOL,0,Aldosterone Antagonist,
CHEMBL1371770,c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc1,795654,MOL,0,,
CHEMBL1371937,CC(C)(CO)C(O)C(=O)NCCCO,795821,MOL,0,Vitamin,
CHEMBL1372,N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O,316787,MOL,0,,2008.0
CHEMBL1372950,CO[C@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13,796834,MOL,0,Vasodilator,
CHEMBL1373,NC(=O)C[S+]([O-])C(c1ccccc1)c1ccccc1,317124,MOL,0,Analeptic (treatment of narcolepsy hypersomnia),1998.0
CHEMBL1373254,NS(=O)(=O)c1cc2c(cc1Cl)NC(CC1CCCC1)NS2(=O)=O,797138,MOL,0,Antihypertensive,
CHEMBL1374101,,797985,NONE,0,,
CHEMBL1374379,CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1,798263,MOL,0,Antitussive,1958.0
CHEMBL1375743,Cl.O.O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1,799627,MOL,0,,2001.0
CHEMBL13766,COc1ccccc1O,13476,MOL,0,,
CHEMBL1377,CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1,320522,MOL,0,,2000.0
CHEMBL1378,CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2,320810,MOL,0,Anti-Emetic,1961.0
CHEMBL1378024,CCCc1cc(C(N)=S)ccn1,801908,MOL,0,,
CHEMBL1380,Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1,321707,MOL,0,Antiviral,1998.0
CHEMBL1382,Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1,321964,MOL,0,Anticholinergic,1998.0
CHEMBL1382627,Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1.[Ag+],806511,MOL,0,"Anti-Infective, Topical",1973.0
CHEMBL13828,O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1,12890,MOL,0,Anti-Allergic; Anti-Asthmatic,
CHEMBL1384,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,325239,MOL,0,Antibacterial,1973.0
CHEMBL1386,,328069,NONE,0,,
CHEMBL1387,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(CCC(=O)C4)[C@H]3CC[C@@]21C,328153,MOL,0,Progestin,1961.0
CHEMBL1388,Oc1ccc(OCc2ccccc2)cc1,328158,MOL,0,Depigmentor,1952.0
CHEMBL1389,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC,328164,MOL,0,Progestin,1982.0
CHEMBL139,O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl,29890,MOL,0,Anti-Inflammatory,1988.0
CHEMBL1393,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21,328201,MOL,0,Diuretic; Aldosterone Antagonist,1960.0
CHEMBL139367,CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N,228354,MOL,0,,2014.0
CHEMBL1395,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,328400,MOL,0,Androgen,1973.0
CHEMBL1396,c1cnc2cc3c(cc2n1)C1CNCC3C1,330452,MOL,0,,2006.0
CHEMBL13960,O=C(O)C(Cl)Cl,13366,MOL,0,,
CHEMBL1397,CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O,334337,MOL,0,,2006.0
CHEMBL1398126,Cl.N=C(N)NC(=O)c1nc(Cl)c(N)nc1N.O.O,822010,MOL,0,Diuretic,1981.0
CHEMBL139835,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C,236019,MOL,0,Anti-Androgen,
CHEMBL139877,NC(=O)NS(=O)(=O)c1ccc(N)cc1,233553,MOL,0,,
CHEMBL1399,CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1,337366,MOL,0,Antineoplastic,1995.0
CHEMBL14,C[N+](C)(C)CCOC(N)=O.[Cl-],892,MOL,0,Cholinergic (ophthalmic),1972.0
CHEMBL1401,CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1,338934,MOL,0,,2002.0
CHEMBL1401367,CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-],825251,MOL,0,,
CHEMBL1401508,COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O,825392,MOL,0,,
CHEMBL1402684,CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)Nc3ccccc32)cc1,826568,MOL,0,Laxative,
CHEMBL1404,COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1,341382,MOL,0,Anti-Anginal,2006.0
CHEMBL1405,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O,342897,MOL,0,Estrogen,1979.0
CHEMBL14053,O=C(O)C(Cl)(Cl)Cl,13437,MOL,0,,
CHEMBL14060,Oc1ccccc1,13456,MOL,0,"Disinfectant,Pharmaceutic Aid (preservative)",
CHEMBL1406148,CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC,830032,MOL,0,,
CHEMBL1407915,CN1CCOC(c2ccccc2)c2ccccc2C1.Cl,831799,MOL,0,Analgesic,
CHEMBL1408594,CCN(CCCc1ccccc1)CCCc1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,832478,MOL,0,Anticholinergic,
CHEMBL1409,COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1.O=C(O)/C=C\C(=O)O,345595,MOL,0,Antiobsessional Agent,1994.0
CHEMBL141,Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1,33986,MOL,0,Antiviral,1995.0
CHEMBL1410,CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1,345872,MOL,0,Spermaticide; Pharmaceutic Aid (wetting and/or solubilizing agent),
CHEMBL1410743,CC1OC(C)OC(C)O1,834627,MOL,0,Sedative-Hypnotic,
CHEMBL1410808,Cc1ccc(O)cc1.Cc1cccc(O)c1.Cc1ccccc1O,834692,MOL,0,,
CHEMBL1411731,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OC1OC(=O)c2ccccc21.Cl,835615,MOL,0,Antibacterial,
CHEMBL1411979,CN(C)CCN(Cc1cccs1)c1ccccn1,835863,MOL,0,,
CHEMBL1412,C1CNCCN1,352917,MOL,0,Anthelmintic,
CHEMBL1413,Cc1cc(C2CCCCC2)n(O)c(=O)c1,353011,MOL,0,Antifungal,1982.0
CHEMBL141305,CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1,231925,MOL,0,,
CHEMBL1417019,Cl.Cl.O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21,840903,MOL,0,Antineoplastic,1987.0
CHEMBL1418176,C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,842060,MOL,0,,
CHEMBL1419,CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1,358192,MOL,0,Antidepressant; Anorexic,1997.0
CHEMBL1420,C[n+]1ccccc1C=NO,359778,MOL,0,Cholinesterase Reactivator,1964.0
CHEMBL1421,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1,361469,MOL,1,,2006.0
CHEMBL1422,N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F,363589,MOL,0,,2006.0
CHEMBL1423,O=c1[nH]c2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,364141,MOL,0,Antipsychotic,1984.0
CHEMBL142438,N#N,238336,MOL,0,Pharmaceutic Aid (air displacement),2015.0
CHEMBL1425,Sc1ncnc2nc[nH]c12,364693,MOL,0,Antineoplastic,1953.0
CHEMBL142635,COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1,237007,MOL,0,,
CHEMBL142703,N#C[C@@H]1CCCN1C(=O)CNC12CC3CC(CC(O)(C3)C1)C2,234541,MOL,0,,
CHEMBL1428,COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,365248,MOL,0,Vasodilator,1988.0
CHEMBL1429,N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O,366868,MOL,0,Antidiuretic,1978.0
CHEMBL1430,CC(C)(S)[C@@H](N)C(=O)O,369179,MOL,0,Chelating Agent,1970.0
CHEMBL1431,CN(C)C(=N)NC(=N)N,369464,MOL,0,Antidiabetic,1995.0
CHEMBL1433,C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21,371546,MOL,0,"Antibacterial,Antibacterial; Antiprotozoal",1967.0
CHEMBL1433361,CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1,857245,MOL,0,,
CHEMBL1434,CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O,371561,MOL,0,Antibacterial,1971.0
CHEMBL1434513,NC[C@H](O)c1ccc(O)c(O)c1.O.O=C(O)C(O)C(O)C(=O)O,858397,MOL,0,,1950.0
CHEMBL1435,Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1,371631,MOL,0,Antibacterial (systemic),1973.0
CHEMBL1436,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1ccco1,371655,MOL,0,Antibacterial,
CHEMBL1437,NC[C@H](O)c1ccc(O)c(O)c1,372912,MOL,0,Adrenergic (vasoconstrictor),1950.0
CHEMBL14370,CCOc1ccccc1OC(c1ccccc1)C1CNCCO1,14263,MOL,0,,
CHEMBL14376,COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1,13949,MOL,0,Antipsychotic,2009.0
CHEMBL1439,C[C@]1(Cn2ccnn2)[C@H](C(=O)[O-])N2C(=O)C[C@H]2S1(=O)=O.[Na+],373856,MOL,0,Inhibitor (beta-lactamase),1993.0
CHEMBL1439973,CC(C)(O)C(Cl)(Cl)Cl,863857,MOL,0,Pharmaceutic Aid (antimicrobial agent),
CHEMBL1440,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12,373985,MOL,0,"Anti-Amebic; Antirickettsial; Antibacterial,Antibacterial,Antibacterial; Anti-Amebic; Antirickettsial",1953.0
CHEMBL1441,CCc1cc(C(N)=S)ccn1,374005,MOL,0,Antibacterial (tuberculostatic),1965.0
CHEMBL1441059,CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.O=S(=O)(O)O,864943,MOL,0,,1982.0
CHEMBL1442422,CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21,866306,MOL,0,Antidepressant,
CHEMBL1443,CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12,374064,MOL,0,Antibacterial,1965.0
CHEMBL1444,N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1,374548,MOL,0,Antineoplastic,1997.0
CHEMBL1445,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,377718,MOL,0,Androgen,1956.0
CHEMBL1446,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.O=S(=O)(O)O,378124,MOL,0,Antibacterial,1973.0
CHEMBL1446650,CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1.Cl,870534,MOL,0,Relaxant (smooth muscle),
CHEMBL144673,CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1,240864,MOL,0,,
CHEMBL1446813,CNCCc1ccccn1.Cl.Cl,870697,MOL,0,Vasodilator,
CHEMBL1447,CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1,378207,MOL,0,Antibacterial,1964.0
CHEMBL1447476,[Na+].[Na+].[O-]c1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1[O-],871360,MOL,0,"Anti-Infective, Topical",
CHEMBL1447815,,871699,NONE,0,Radioactive Agent,1992.0
CHEMBL1448,O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O,378218,MOL,0,Anthelmintic,1982.0
CHEMBL1448187,Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,872071,MOL,0,,1959.0
CHEMBL1449,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O,378225,MOL,0,Antibacterial,1976.0
CHEMBL1449676,Cc1ncc([N+](=O)[O-])n1CC(O)CCl,873560,MOL,0,Anti-Infective,
CHEMBL145,O=C(O)/C=C/c1ccc(O)c(O)c1,37812,MOL,0,,
CHEMBL1450,O=C1C(O)=C([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21,378315,MOL,0,Antipneumocystic,1992.0
CHEMBL1451,C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO,381691,MOL,0,Glucocorticoid,1957.0
CHEMBL1451116,IC(I)I,875000,MOL,0,,
CHEMBL1452696,CC(C)=CCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,876580,MOL,0,,1997.0
CHEMBL1453317,CCN(CC)C(=O)c1cccc(C)c1,877201,MOL,0,"Repellant, Arthropod",
CHEMBL1454,c1ccc([C@H]2CN3CCSC3=N2)cc1,384948,MOL,0,Biological Response Modifier,1990.0
CHEMBL1455,CN(C)c1nc(N(C)C)nc(N(C)C)n1,386327,MOL,0,Antineoplastic,1990.0
CHEMBL1455497,O=C(O)CC(O)C(=O)O,879381,MOL,0,Pharmaceutic Aid (acidifying agent),
CHEMBL1456,COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2,386457,MOL,0,Immunomodulator,1995.0
CHEMBL1457,COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314,388373,MOL,0,Antitussive,
CHEMBL1460,O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1,390877,MOL,0,Antiviral,1991.0
CHEMBL146095,O=C(OCC(O)CO)c1ccccc1Nc1ccnc2cc(Cl)ccc12,244737,MOL,0,,
CHEMBL1463,Nc1[nH]c(=O)ncc1F,393942,MOL,0,Antifungal,1971.0
CHEMBL1463345,C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1,887229,MOL,0,Aldosterone Antagonist,
CHEMBL1464,CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O,394165,MOL,0,Anticoagulant,1954.0
CHEMBL1465,CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O,394229,MOL,0,,1957.0
CHEMBL1466,O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O,394231,MOL,0,Anticoagulant,1944.0
CHEMBL1467,O=c1ncnc2[nH][nH]cc1-2,395607,MOL,0,Xanthine Oxidase Inhibitor,1966.0
CHEMBL1469,O=C(O)CCCc1ccccc1,397873,MOL,0,Antihyperammonemic,1996.0
CHEMBL1471,C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,399361,MOL,1,,2003.0
CHEMBL1472,NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1,400344,BOTH,0,Prothyrotropin,1976.0
CHEMBL1472989,CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1.O=C(O)/C=C/C(=O)O,896873,MOL,0,,1992.0
CHEMBL1473,CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,401141,MOL,0,Anti-Inflammatory,1990.0
CHEMBL1474889,CC(CN(C)C)C(C)(O)Cc1ccc(Cl)cc1,898773,MOL,0,,1961.0
CHEMBL1474963,CCc1oc2ccccc2c1C(=O)c1ccc(O)cc1,898847,MOL,0,,
CHEMBL1475,Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1,402531,MOL,0,Pigmentation Agent,1964.0
CHEMBL1476022,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,899906,MOL,0,,
CHEMBL1477,COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c1-c1ccc(F)cc1,403465,MOL,0,Inhibitor (HMG-CoA reductase); Antihyperlipidemic,1997.0
CHEMBL1477036,CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O,900920,MOL,0,"Stool Softener,Stool Softener; Pharmaceutic Aid (surfactant)",
CHEMBL1477274,CCC1(c2cccc(O)c2)CCCCN(C)C1.Cl,901158,MOL,0,Analgesic,
CHEMBL1479,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C,405364,MOL,0,Anterior Pituitary Suppressant,1976.0
CHEMBL1479848,CC(=O)Oc1cc(C)c(OC(C)=O)c2ccccc12,903732,MOL,0,,
CHEMBL148,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12,43934,MOL,0,Antibacterial,1985.0
CHEMBL1480,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl,405365,MOL,0,Vasodilator,1991.0
CHEMBL1480987,CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)C1,904871,MOL,0,,
CHEMBL1481,CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)cc2)C1=O,405366,MOL,0,Hypoglycemic,1995.0
CHEMBL1482,CC(C[N+](C)(C)C)OC(N)=O,406520,MOL,0,Cholinergic,1948.0
CHEMBL1483,CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1,406787,MOL,0,Anthelmintic,1996.0
CHEMBL1484,COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1,407549,MOL,0,Vasodilator,1988.0
CHEMBL1484251,Cl.Cl.N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1,908135,MOL,0,"Anti-Infective, Topical",
CHEMBL1485,N=C(N)NCCC[C@H](N)C(=O)O,411450,MOL,0,Ammonia Detoxicant; Diagnostic Aid (pituitary function determination),
CHEMBL1486,CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C.O=C(O)/C=C/C(=O)O,417163,MOL,0,,2001.0
CHEMBL1487,CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O,417180,MOL,0,Inhibitor (HMG-CoA reductase),1996.0
CHEMBL1488,O=c1[nH]cc(N(CCCl)CCCl)c(=O)[nH]1,418344,MOL,0,Antineoplastic,1962.0
CHEMBL1489,Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1,418401,MOL,0,Antineoplastic,2004.0
CHEMBL1490,OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1,418411,MOL,0,Anticholinergic; Antiparkinsonian,1949.0
CHEMBL149082,NCCCS(=O)(=O)O,247406,MOL,0,,
CHEMBL1491,CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl,418414,MOL,0,Antihypertensive; Anti-Anginal,1992.0
CHEMBL1491306,Oc1cc(Cc2ccccc2)nc(S)n1,915190,MOL,0,,
CHEMBL1492,CN1CCC(OC(c2ccccc2)c2ccccc2)CC1,418482,MOL,0,,1982.0
CHEMBL1492500,CN(C)CC/C=C1\c2ccccc2CSc2ccccc21,916384,MOL,0,Antidepressant,
CHEMBL1493,Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O,418484,MOL,0,Relaxant (smooth muscle),1970.0
CHEMBL1495,CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1,418489,MOL,0,,1982.0
CHEMBL1496,CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O,418845,MOL,0,,2003.0
CHEMBL1497,CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,419410,MOL,0,Glucocorticoid,1967.0
CHEMBL149972,CCC1(c2ccccc2)C(=O)[N-]C(=O)NC1=O.[Na+],250525,MOL,0,Anticonvulsant; Sedative-Hypnotic,
CHEMBL1501,CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,419542,MOL,0,Glucocorticoid,1971.0
CHEMBL1502,COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[nH]2)c1OC,419598,MOL,0,Anti-Ulcerative,2000.0
CHEMBL15023,O=C(CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1,14882,MOL,0,Antipsychotic,
CHEMBL1503,COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1,419601,MOL,0,"Antisecretory (gastric),Depressant (gastric acid secretory)",1989.0
CHEMBL1504,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,419622,MOL,0,Glucocorticoid,1960.0
CHEMBL1505,CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12,420985,MOL,0,Antimigraine,2001.0
CHEMBL1506,CCCCCCCCCCCCCCCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1,420999,MOL,0,Antirickettsial; Antibacterial,1982.0
CHEMBL1508,CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,421007,MOL,0,,2002.0
CHEMBL1509,C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C,421032,MOL,0,Aldosterone Antagonist,2001.0
CHEMBL1510,CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12,421034,MOL,0,,2002.0
CHEMBL1511,CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C,421038,MOL,0,Estrogen,2010.0
CHEMBL1511957,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1.Cl,935841,MOL,0,,
CHEMBL1512,CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,421058,MOL,0,Glucocorticoid,1981.0
CHEMBL1512580,FC(F)(F)c1cccc(C2=CCN(CCc3ccc4ccccc4c3)CC2)c1,936464,MOL,0,,
CHEMBL1512677,CCCCCc1ccc(C)cc1O,936561,MOL,0,,
CHEMBL1512949,O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1c2ccccc2Sc2ccccc21,936833,MOL,0,,
CHEMBL1513,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,421066,MOL,0,Antihypertensive (angiotensin II receptor antagonist),1997.0
CHEMBL1514,CC[C@H](OC(C)=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1,421070,MOL,0,Analgesic (narcotic),1993.0
CHEMBL151445,OCC(O)CN1CCN(c2ccccc2)CC1,248988,MOL,0,,
CHEMBL1514715,CCNCC.O=S(=O)(O)c1cc(O)ccc1O,938599,MOL,0,Hemostatic,
CHEMBL1515,Cn1cc[nH]c1=S,421089,MOL,0,Thyroid Inhibitor,1950.0
CHEMBL1516,CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,421145,MOL,0,,
CHEMBL1516474,CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12.O=C(O)/C=C\C(=O)O,940358,MOL,0,,2002.0
CHEMBL1517,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12,421157,MOL,0,"Antibacterial,Antirickettsial; Antibacterial",1964.0
CHEMBL1518,CCCc1cc(=O)[nH]c(=S)[nH]1,421208,MOL,0,Thyroid Inhibitor,1947.0
CHEMBL1519,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21,421317,MOL,0,,1996.0
CHEMBL152,Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1,48701,MOL,0,Antiviral,1996.0
CHEMBL1520,CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12,421326,MOL,0,,2003.0
CHEMBL1520188,O=P([O-])(O)C(Cl)(Cl)P(=O)([O-])O.[Na+].[Na+],944072,MOL,0,,
CHEMBL1521,CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1,421332,MOL,0,Sedative-Hypnotic,1999.0
CHEMBL1522,CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1,421334,MOL,0,,2004.0
CHEMBL1523964,CN[C@@H](C)[C@H](O)c1ccccc1.CN[C@@H](C)[C@H](O)c1ccccc1.O=S(=O)(O)O,947848,MOL,0,Adrenergic,2016.0
CHEMBL1524273,O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,948157,MOL,0,,
CHEMBL15245,COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21,15191,MOL,0,,
CHEMBL1525,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1,421902,MOL,0,Ectoparasiticide,1986.0
CHEMBL1525826,COc1nccnc1NS(=O)(=O)c1ccc(N)cc1,949710,MOL,0,Antibacterial,
CHEMBL1527608,Cn1c(=O)c2c(ncn2CC2OCCO2)n(C)c1=O,951492,MOL,0,Bronchodilator,
CHEMBL1528,[F-].[Na+],426045,MOL,0,"Dental Caries Prophylactic,Radioactive Agent",1972.0
CHEMBL1528134,CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.Cl,952018,MOL,0,Anti-Inflammatory; Antipyretic; Analgesic,
CHEMBL1528839,Cl.N=C(N)NC(=N)NCCc1ccccc1,952723,MOL,0,,
CHEMBL1529,Cl.OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1,426067,MOL,0,Anti-Emetic,1967.0
CHEMBL1530428,CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,954312,MOL,0,,1973.0
CHEMBL1531,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC,428747,MOL,0,Progestin,2001.0
CHEMBL1531134,CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1,955018,MOL,0,,
CHEMBL1532,CCC1NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1,428791,MOL,0,,1963.0
CHEMBL1533,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC,429174,MOL,0,Progestin,1992.0
CHEMBL1533310,Cl.Cl.NCCc1c[nH]cn1,957194,MOL,0,,
CHEMBL1534,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C,429204,MOL,0,Vitamin (enzyme co-factor),1993.0
CHEMBL1534525,COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C.Cl.Cl,958409,MOL,0,Vasodilator,1997.0
CHEMBL153479,Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1,253571,MOL,0,,
CHEMBL1535,CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12,429737,MOL,0,Antimalarial; Suppressant (lupus erythematosus),1955.0
CHEMBL1536,C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C,430124,MOL,0,Vitamin (antirachitic),1941.0
CHEMBL1537,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,430506,MOL,0,Antibacterial,1982.0
CHEMBL1538,CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C,430522,MOL,0,,2001.0
CHEMBL1539,COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC,430546,MOL,0,Antibacterial,1981.0
CHEMBL154,COc1ccc2cc([C@H](C)C(=O)O)ccc2c1,51056,MOL,0,"Anti-Inflammatory; Antipyretic; Analgesic,Antipyretic; Anti-Inflammatory; Analgesic",1976.0
CHEMBL1540,Nc1nc(O)c2ncn(CCC(CO)CO)c2n1,430597,MOL,0,Antiviral,1996.0
CHEMBL1541,C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OCC(=O)O)c3csc(N)n3)[C@H]2SC1,430642,MOL,0,Antibacterial,1989.0
CHEMBL154111,O=C(Oc1ccccc1C(=O)O)c1ccccc1O,255532,MOL,0,Anti-Inflammatory; Analgesic,
CHEMBL15413,CO[C@@]1(NC(=O)CSC(F)F)C(=O)N2C(C(=O)O)=C(CSc3nnnn3CCO)CO[C@@H]21,16199,MOL,0,,
CHEMBL1542,Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12,431141,MOL,0,Immunosuppressant,1968.0
CHEMBL1543,N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,432232,MOL,0,,
CHEMBL1544,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O,433015,MOL,0,"Radioactive Agent,Thyroid Hormone",1956.0
CHEMBL1546,CC(N)Cc1ccc(O)cc1,436204,MOL,0,Adrenergic (ophthalmic),1969.0
CHEMBL1547,Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1,437211,MOL,0,Vitamin (enzyme co-factor),1985.0
CHEMBL1549,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC1CCCC1,439720,MOL,0,,1955.0
CHEMBL1550,CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,441571,MOL,0,Vitamin (prothrombogenic),
CHEMBL1551,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,442013,MOL,0,Anticholelithogenic,1987.0
CHEMBL1551365,CCON=O,975249,MOL,0,,
CHEMBL1551724,NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N,975608,MOL,0,Platelet Aggregation Inhibitor,
CHEMBL1554,Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O,442943,MOL,0,Antineoplastic,1964.0
CHEMBL1555,Br.COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2,443255,MOL,0,,2001.0
CHEMBL1556,O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,444029,MOL,0,,
CHEMBL15562,c1cncnc1,16340,MOL,0,,
CHEMBL1557,Cl.NCCc1ccc(O)c(O)c1,444077,MOL,0,Adrenergic,1974.0
CHEMBL1558,COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC.Cl,444191,MOL,0,Antihypertensive,1976.0
CHEMBL1559,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O,444419,MOL,0,Antifungal,1974.0
CHEMBL1560,C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O,444750,MOL,0,Enzyme Inhibitor (angiotensin-converting); Antihypertensive,1981.0
CHEMBL1560089,CN(CCO)CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.O=C(O)c1cccnc1,983973,MOL,0,,
CHEMBL156025,CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O,261203,BOTH,0,Immunoregulator,
CHEMBL1561,OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,445681,MOL,0,Inhibitor (alpha-glucosidase),1996.0
CHEMBL1562610,Cc1ccc(Cl)c(Nc2ccccc2C(=O)[O-])c1Cl.O.[Na+],986494,MOL,0,,1980.0
CHEMBL1563,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl,446279,MOL,0,Antineoplastic,1979.0
CHEMBL1564,CN1CCC(OC(c2ccccc2)c2ccccc2)CC1.Cl,447448,MOL,0,,1982.0
CHEMBL1564747,Cc1ccc(O)c(-n2nc3ccccc3n2)c1,988631,MOL,0,Ultraviolet Screen,
CHEMBL1565476,CCCC1C(=O)N2C(N(C)C)=Nc3ccc(C)cc3N2C1=O,989360,MOL,0,Anti-Inflammatory,
CHEMBL1566,C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O,448986,MOL,0,Inhibitor (alpha-glucosidase),1995.0
CHEMBL1567,CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C.O=C(O)C[C@H](O)C(=O)O,450864,MOL,0,,2006.0
CHEMBL1567328,COc1ccc2[n-]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Mg+2],991212,MOL,0,,2003.0
CHEMBL1567463,C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO,991347,MOL,0,,
CHEMBL15677,O=C(O)Cc1ccccc1Oc1ccc(Cl)cc1Cl,16521,MOL,0,Anti-Inflammatory,1978.0
CHEMBL1568057,CC(C)NCC(O)c1cc(O)cc(O)c1.CC(C)NCC(O)c1cc(O)cc(O)c1.O=S(=O)(O)O,991941,MOL,0,,1973.0
CHEMBL1568276,CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+],992160,MOL,0,,1965.0
CHEMBL1568698,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C,992582,MOL,0,,
CHEMBL1569,Cl.NC12CC3CC(CC(C3)C1)C2,452635,MOL,0,Antiviral,1968.0
CHEMBL1569487,CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O,993371,MOL,0,Anti-Inflammatory; Analgesic,
CHEMBL1570,O=S(O)CNc1ccc(S(=O)(=O)c2ccc(NCS(=O)O)cc2)cc1,453043,MOL,0,,1982.0
CHEMBL1571,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CCC(=O)O2,453121,MOL,0,Antineoplastic,1969.0
CHEMBL157101,CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,255904,MOL,0,,1981.0
CHEMBL157138,CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,263558,MOL,0,,
CHEMBL1571863,Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1,995747,MOL,0,Antifungal; Antibacterial,
CHEMBL1572,CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O,453520,MOL,0,Antibacterial,1983.0
CHEMBL1574,CC(C)(N)Cc1ccccc1,453532,MOL,0,"Anorexic,Appetite Suppressant (systemic)",1959.0
CHEMBL1575,C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,453536,MOL,0,Antineoplastic,
CHEMBL1576,C#CC1(OC(N)=O)CCCCC1,453538,MOL,0,,1982.0
CHEMBL1577,CN1C(CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O,453564,MOL,0,Diuretic; Antihypertensive,1960.0
CHEMBL15770,CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc([S+](C)[O-])cc1,16510,MOL,0,Anti-Inflammatory,1978.0
CHEMBL1578,CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C.[Br-],453573,MOL,0,Anticholinergic,1962.0
CHEMBL15797,c1cnccn1,16383,MOL,0,,
CHEMBL158,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O,61680,MOL,0,Antimicrobial,1986.0
CHEMBL1580,OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O,453578,MOL,0,Potentiator,1991.0
CHEMBL1581,CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC,453579,MOL,0,"Antihypertensive,Enzyme Inhibitor (angiotensin-converting)",1993.0
CHEMBL1583,CCOC(=O)OC(C)OC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C,453719,MOL,0,Antibacterial,1980.0
CHEMBL1584,CC(=O)c1ccc2c(c1)N(CCCN1CCC(CCO)CC1)c1ccccc1S2,453721,MOL,0,Antipsychotic,1969.0
CHEMBL1585,O=C(CCBr)N1CCN(C(=O)CCBr)CC1,453722,MOL,0,Antineoplastic,1966.0
CHEMBL1587,CN1C(CSCC(F)(F)F)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O,453832,MOL,0,Antihypertensive; Diuretic,1961.0
CHEMBL15870,CC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1,16599,MOL,0,Analgesic; Anti-Inflammatory,1979.0
CHEMBL1588,Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.[Cl-],453914,MOL,0,,1985.0
CHEMBL1589,CC(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,454070,MOL,0,Antidiabetic,1964.0
CHEMBL15891,Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl,16654,MOL,0,Pediculicide; Scabicide,1974.0
CHEMBL159,CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,71516,MOL,0,Antineoplastic,1965.0
CHEMBL1590,CN[C@@H](C)[C@@H](O)c1ccccc1,454076,MOL,0,"Adrenergic (vasoconstrictor),Decongestant,Nasal Decongestant",1963.0
CHEMBL1590946,NC(=O)c1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)[O-])[C@H]3SC2)cc1.[Na+],1014830,MOL,0,,
CHEMBL1591,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12,454084,MOL,0,Antibacterial,1960.0
CHEMBL1592,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O,454141,MOL,0,Enzyme Inhibitor (angiotensin-converting); Antihypertensive,1991.0
CHEMBL1592101,,1015985,NONE,0,,
CHEMBL159226,CC(=O)Oc1cc(C(C)C)c(OCCN(C)C)cc1C,265957,MOL,0,,
CHEMBL1593558,N=C(N)N1CCc2ccccc2C1.N=C(N)N1CCc2ccccc2C1.O=S(=O)(O)O,1017442,MOL,0,Antihypertensive,
CHEMBL1593906,CCC(=O)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C)CN(C)C.O=S(=O)(O)c1ccc2ccccc2c1,1017790,MOL,0,Antitussive,1962.0
CHEMBL1594,CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,454250,MOL,0,Vitamin (enzyme co-factor),1993.0
CHEMBL1595,COc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314,454306,MOL,0,Analgesic,1983.0
CHEMBL1596,CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccc4c(c3)CCC4)c3ccccc3)C(=O)N2[C@H]1C(=O)O,454373,MOL,0,Antibacterial,1972.0
CHEMBL1597,OCC(S)CS,454382,MOL,0,Antidote (to arsenic and gold and mercury poisoning),1946.0
CHEMBL1599,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1,454446,MOL,0,Antibacterial,1974.0
CHEMBL1599768,CN1CCCN=C1/C=C/c1cccs1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,1023652,MOL,0,Anthelmintic,
CHEMBL16,O=C1N=C(O)NC1(c1ccccc1)c1ccccc1,921,MOL,0,Anticonvulsant,1953.0
CHEMBL160,C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C,72873,BOTH,0,Immunosuppressant,1983.0
CHEMBL1601,O=C(O)C1=C(CSc2nnnn2CS(=O)(=O)O)CS[C@@H]2[C@H](NC(=O)[C@H](O)c3ccccc3)C(=O)N12,454514,MOL,0,Antibacterial,1984.0
CHEMBL1601669,C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O,1025553,MOL,0,,
CHEMBL1604,CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1,454576,MOL,0,Antibacterial,1974.0
CHEMBL1605,Nc1nc(/C(=C/CC(=O)O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=CCS[C@H]23)cs1,454578,MOL,0,Antibacterial,1995.0
CHEMBL160519,CCC(NC(C)C)C(O)c1ccc(O)c2[nH]c(=O)ccc12,262509,MOL,0,Bronchodilator,
CHEMBL1607,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.Cl,456266,MOL,0,Antineoplastic (DNA topoisomerase I Inhibitor),1996.0
CHEMBL1607273,Cl.Cl.O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,1031157,MOL,0,,1995.0
CHEMBL16073,CCOc1ccc(NC(C)=O)cc1,16498,MOL,0,,
CHEMBL1607480,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12.Cl,1031364,MOL,0,Antirickettsial; Antibacterial,1964.0
CHEMBL16080,CC(Cl)(Cl)Cl,16727,MOL,0,,
CHEMBL1609,O=C(O)C(O)c1ccccc1,458901,MOL,0,,
CHEMBL161,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1,83724,MOL,0,Antibacterial,1984.0
CHEMBL1611,O=C1N=C([O-])NC1(c1ccccc1)c1ccccc1.[Na+],458912,MOL,0,Anticonvulsant,1956.0
CHEMBL1614,C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@]4(C)[C@H]5C[C@@H](O)[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]6(O)[C@@H]5CC[C@@H]4C3)O[C@@H]2C)C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)O1,465356,MOL,0,Cardiotonic,1982.0
CHEMBL1614637,CC(Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12,1037639,MOL,0,,
CHEMBL1614650,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](N)CC3,1037657,MOL,0,,
CHEMBL1614701,Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21,1037712,MOL,1,,2020.0
CHEMBL1615350,CN(C)CCCC1c2ccccc2Nc2ccc(Cl)cc21,1038336,MOL,0,Antipsychotic,
CHEMBL1615369,CCCCCCOC(=O)/N=C(\N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1.CS(=O)(=O)O,1038352,MOL,0,,2010.0
CHEMBL1615371,CN1c2c([nH]c(N)nc2=O)NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1.[Ca+2],1038354,MOL,0,,2010.0
CHEMBL1615372,Cl.O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1,1038355,MOL,0,,2010.0
CHEMBL1615374,Cl.N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1,1038357,MOL,0,,2011.0
CHEMBL1615438,C[C@@H]1CN([C@H]2CC[C@](C#N)(c3ccc(F)cc3)CC2)CC[C@]1(C(=O)O)c1ccccc1,1038389,MOL,0,Antihistaminic,1993.0
CHEMBL1615439,C[C@H]1[C@H](c2ccccc2)OCCN1C,1038390,MOL,0,,1976.0
CHEMBL1615487,O=C(CCOCCOCCOCCOCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I,1038438,MOL,0,Diagnostic Aid (radiopaque medium),
CHEMBL1615779,N=C(N)NCc1cccc([131I])c1,1038730,MOL,0,Radioactive Agent; Diagnostic Aid,2018.0
CHEMBL1615784,CCOCCP(CCOCC)CCP(CCOCC)CCOCC,1038735,MOL,0,Diagnostic Aid,
CHEMBL1615933,CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O,1038884,BOTH,0,,
CHEMBL1616,CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl,466038,MOL,0,Emetic,2004.0
CHEMBL1616046,OCl,1038997,MOL,0,Disinfectant,
CHEMBL1616951,C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CCC(=O)O,1039902,MOL,0,Aldosterone Antagonist,
CHEMBL1617,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,466768,MOL,0,Antibacterial,2004.0
CHEMBL1618,Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](OC=O)c3ccccc3)[C@H]2SC1.[Na+],466810,MOL,0,Antibacterial,1978.0
CHEMBL1618018,CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2,1040969,MOL,0,Anticholinergic,
CHEMBL1618102,CCCC[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21,1041053,MOL,0,,
CHEMBL1618340,C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O,1041291,MOL,0,Post-Stroke And Post-Head Trauma Treatment,
CHEMBL1619,Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1,467361,MOL,0,Antineoplastic,1993.0
CHEMBL1619528,CC[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1,1042479,MOL,0,,
CHEMBL1619785,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OC1OC(=O)c2ccccc21,1042736,MOL,0,Antibacterial,
CHEMBL1620,CN(C)CCOC(c1ccccc1)c1ccccc1.Cl,468199,MOL,0,Antihistaminic,1946.0
CHEMBL162036,CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1,270986,MOL,0,,
CHEMBL1620875,CCN(CC)CCc1nc(-c2ccccc2)no1,1043826,MOL,0,,
CHEMBL1621,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O,468656,MOL,0,,2006.0
CHEMBL1621597,CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2,1044548,MOL,0,Bronchodilator,1986.0
CHEMBL1622,Nc1nc(=O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2[nH]1,469217,MOL,0,Vitamin (hematopoietic),
CHEMBL1623,Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1,469632,MOL,0,Anti-Emetic,1957.0
CHEMBL1623992,CCN1CCCC(OC(=O)C(c2ccccc2)c2ccccc2)C1,1046943,MOL,0,,
CHEMBL1624,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,469690,MOL,0,Thyroid Hormone,2000.0
CHEMBL1625,COc1ccc(C(=O)c2ccccc2)c(O)c1,469732,MOL,0,Ultraviolet Screen,1992.0
CHEMBL1625607,CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1,1048558,MOL,0,,
CHEMBL1626,CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1,469763,MOL,0,Antihistaminic,1977.0
CHEMBL1626223,CN1CCCN=C1/C=C/c1cccs1,1049174,MOL,0,Anthelmintic,
CHEMBL1626570,COS(=O)(=O)[O-].C[N+]1(C)CCN(CC(O)(c2ccccc2)C2CCCCC2)CC1,1049461,MOL,0,,1982.0
CHEMBL1627367,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](F)[C@@H]2O,1050258,MOL,0,,2020.0
CHEMBL1628227,CN(C)CCC=C1c2ccccc2COc2ccccc21,1051118,MOL,0,Antidepressant,1969.0
CHEMBL1628233,O=C([O-])c1ccccc1-c1c2ccc(=O)cc-2oc2cc([O-])ccc12.[Na+].[Na+],1051124,MOL,0,Diagnostic Aid (corneal trauma indicator),1976.0
CHEMBL1628234,CN(C)CCC=C1c2ccccc2COc2ccccc21.Cl,1051125,MOL,0,Antidepressant,1969.0
CHEMBL1628385,CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CCN(CC)CCOC(=O)c1ccc(N)cc1,1051276,MOL,0,Antibacterial,1948.0
CHEMBL1628502,CC(OC(=O)NCC1(CC(=O)O)CCCCC1)OC(=O)C(C)C,1051353,MOL,0,,2011.0
CHEMBL1628504,Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1.Cl,1051355,MOL,0,,2011.0
CHEMBL1628688,COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1,1051539,MOL,0,,
CHEMBL163,CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1,88100,MOL,0,Antiviral,1996.0
CHEMBL1630578,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1,1052744,MOL,0,,
CHEMBL1631694,CSc1ccc(OCc2ncc([N+](=O)[O-])n2C)cc1,1054485,MOL,0,,
CHEMBL1632,CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1.[Na+],478059,MOL,0,Antibacterial,1974.0
CHEMBL1633,CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1.O=C(O)/C=C/C(=O)O,479129,MOL,0,Anti-Asthmatic,1999.0
CHEMBL1637,Cl.Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1,480382,MOL,0,Antineoplastic,1996.0
CHEMBL1639,COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC,480746,MOL,1,,2007.0
CHEMBL1640,Cc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)[O-])cc4cc(S(=O)(=O)[O-])cc(N)c4c3O)c(C)c2)ccc1/N=N/c1c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc(N)c2c1O.[Na+].[Na+].[Na+].[Na+],482031,MOL,0,,2004.0
CHEMBL1641,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COP(=O)(O)O,483808,MOL,0,Glucocorticoid,1960.0
CHEMBL1642,CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,485100,MOL,0,,2001.0
CHEMBL1643,NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1,485738,MOL,0,Antiviral,1985.0
CHEMBL1643895,Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc21,1058607,MOL,0,,
CHEMBL1644,CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1,485902,MOL,0,Antibacterial,1978.0
CHEMBL1644029,O=[N+]([O-])[O-].[K+],1058777,MOL,0,,
CHEMBL1644030,[Br-].[K+],1058780,MOL,0,,
CHEMBL1644694,[Br-].[Na+],1059667,MOL,0,,
CHEMBL1644695,[I-].[Na+],1059668,MOL,0,"Diagnostic Aid (thyroid function determination); Radioactive Agent,Diagnostic Aid (thyroid function determination); Radioactive Agent; Antineoplastic,Radioactive Agent; Diagnostic Aid (thyroid function determination),Supplement (iodine)",1976.0
CHEMBL1646,CC1(C)C(/C=C/C=C/C=C/C=C2\N(CCCCS(=O)(=O)[O-])c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccc3ccccc3c21.[Na+],486421,MOL,0,Diagnostic Aid (hepatic function determination); Diagnostic Aid (cardiac output determination),1959.0
CHEMBL16476,CC(C)NCC(O)c1ccc2ccccc2c1,18271,MOL,0,,
CHEMBL1648,COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12,486789,MOL,0,Antagonist (calcium channel),1990.0
CHEMBL165,Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1,103658,MOL,0,,
CHEMBL1650,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C,487711,MOL,0,Glucocorticoid,1950.0
CHEMBL1650443,Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O,1062164,MOL,0,,
CHEMBL1650559,CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CNCCO)=CC[C@H]3N)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CCN)OC[C@]1(C)O,1062308,MOL,0,,2018.0
CHEMBL1650619,On1ccccc1=S,1062512,MOL,0,,1986.0
CHEMBL1650818,CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](/N=C/N3CCCCCC3)[C@H]2SC1(C)C,1062842,MOL,0,Antibacterial,
CHEMBL1651906,CN(N=O)C(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O,1064511,MOL,0,Antineoplastic,1982.0
CHEMBL1651956,C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](C)C(=O)N(CC)[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C,1064694,BOTH,0,,
CHEMBL1651990,Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1,1064822,MOL,0,Antifungal,
CHEMBL1651998,CC1(O)CCC(C(C)(C)O)CC1,1064837,MOL,0,Expectorant,
CHEMBL1652,CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl,490064,MOL,0,,1956.0
CHEMBL1652606,Cc1oc(=O)oc1COC(=O)N1CC[C@@H](N2CC/C(=C\C3=C(C(=O)O)N4C(=O)[C@@H](NC(=O)/C(=N/O)c5nsc(N)n5)[C@H]4SC3)C2=O)C1,1066078,MOL,0,,
CHEMBL1653,CN(C)CCC(c1ccccc1)c1ccccn1.O=C(O)/C=C\C(=O)O,490981,MOL,0,,1994.0
CHEMBL1654,O=P([O-])(O)C(O)(Cc1cccnc1)P(=O)(O)O.[Na+],494630,MOL,0,Regulator (calcium),1998.0
CHEMBL1655,CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1,495109,MOL,0,Anti-Estrogen; Antineoplastic,1997.0
CHEMBL1657,CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1,495572,MOL,0,Keratolytic,1997.0
CHEMBL1658,C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O,496769,MOL,0,,2007.0
CHEMBL1659,CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,496910,MOL,0,Antihistaminic,1950.0
CHEMBL166,Nc1nc(N)nc(Nc2ccc([As]3SCC(CO)S3)cc2)n1,118669,MOL,0,,
CHEMBL1660,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,497291,MOL,0,Antibacterial,1998.0
CHEMBL1661,OC[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,497330,MOL,0,,2020.0
CHEMBL1663,FC(F)(F)C(F)(F)C(F)(F)F,498105,MOL,0,,2001.0
CHEMBL1664,CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1,499624,MOL,0,,2003.0
CHEMBL1668,COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,503213,MOL,0,,1956.0
CHEMBL1668019,CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2.Cl,1066574,MOL,0,,
CHEMBL166863,CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2cccc(F)c2)C1=O,277493,MOL,0,,
CHEMBL1670,Clc1ccc(C(c2ccccc2Cl)C(Cl)Cl)cc1,504310,MOL,0,Antineoplastic,1970.0
CHEMBL1671,CC(C)NCC(O)COc1cccc2ccccc12.Cl,505776,MOL,0,Cardiac Depressant (anti-arrhythmic); Anti-Adrenergic (beta-receptor),1967.0
CHEMBL167150,COP(=O)(OC)C(O)C(Cl)(Cl)Cl,277372,MOL,0,Anthelmintic (veterinary),
CHEMBL1672,COCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC)c3csc(N)n3)[C@H]2SC1,506443,MOL,0,,
CHEMBL1672054,CC(=O)N1CCN([C@H]2CCN(C(=O)N(C)[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3C)C2)CC1,1069144,MOL,0,,
CHEMBL1673148,C[N+](C)(CCOc1ccccc1)Cc1ccccc1.O=C([O-])c1cc2ccccc2cc1O,1070837,MOL,0,,
CHEMBL1675,CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,508441,MOL,0,,
CHEMBL1676,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF,508532,MOL,0,,2007.0
CHEMBL167691,CNC(=O)N(N(CCCl)S(C)(=O)=O)S(C)(=O)=O,277853,MOL,0,,
CHEMBL1677,Cl.Nc1c2c(nc3ccccc13)CCCC2,508604,MOL,0,Cognition Adjuvant; Dementia Symptoms Treatment Adjunct,1993.0
CHEMBL167731,NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O,280181,MOL,0,,
CHEMBL1678,COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2.Cl,508667,MOL,0,Dementia Symptoms Treatment Adjunct; Inhibitor (acetylcholinesterase); Cognition Adjuvant; Alzheimer's Disease Treatment (adjunct),1996.0
CHEMBL1679,Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O,510462,MOL,0,Antidote (to folic acid antagonists); Anti-Anemic (folate deficiency),1952.0
CHEMBL1680,C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O,511465,MOL,0,"Antineoplastic,Antisecretory (gastric)",1988.0
CHEMBL1681,O=C(O)CNC(=O)c1ccccc1I,513301,MOL,0,"Diagnostic Aid (renal function determination); Radioactive Agent,Radioactive Agent,Radioactive Agent; Diagnostic Aid (renal function determination)",1984.0
CHEMBL1682,OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,513323,MOL,0,Pharmaceutic Aid (flavor); Pharmaceutic Aid (tablet excipient),
CHEMBL1683,CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,515027,MOL,0,Glucocorticoid,1982.0
CHEMBL1683544,C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)CN)[C@@H]3OC.CS(=O)(=O)O,1073669,MOL,0,,2010.0
CHEMBL1683590,C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)CN)[C@@H]3OC,1073717,MOL,0,,2010.0
CHEMBL1684,NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NC(Cc1ccccc1)NS2(=O)=O,515239,MOL,0,Antihypertensive; Diuretic,1959.0
CHEMBL1685,C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc31)[C@@H]2N,518361,MOL,0,Analgesic,1989.0
CHEMBL168815,CC1OC2(CS1)CN1CCC2CC1,279727,MOL,0,Alzheimer's Disease Treatment (adjunct),2000.0
CHEMBL1688530,CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(NCc3ccc(-c4ccc(Cl)cc4)cc3)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O,1076140,MOL,0,,2014.0
CHEMBL1689,Cl.c1ccc(CC2=NCCN2)cc1,524710,MOL,0,Vasodilator (peripheral),1985.0
CHEMBL1689063,NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O,1077322,MOL,0,,2015.0
CHEMBL1689772,CN(C)c1cc(CNCC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O,1078379,MOL,0,,2018.0
CHEMBL1690,CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O,529987,MOL,0,Antimalarial; Suppressant (lupus erythematosus),1955.0
CHEMBL1691,CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1.Cl,543228,MOL,0,Antihypertensive; Anti-Anginal,1985.0
CHEMBL1692,CN(C)CCCN1c2ccccc2CCc2ccccc21.Cl,543658,MOL,0,Antidepressant,1959.0
CHEMBL1693,CCN(CC)C(C)C(=O)c1ccccc1.Cl,543703,MOL,0,Anorexic,1959.0
CHEMBL1694,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O.Cl,544432,MOL,0,Enzyme Inhibitor (angiotensin-converting),1991.0
CHEMBL1695,Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C.Cl,544765,MOL,0,Anticonvulsant,1997.0
CHEMBL1696,CNCCCN1c2ccccc2CCc2ccccc21.Cl,545075,MOL,0,Antidepressant,1964.0
CHEMBL1697,COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1.Cl,545509,MOL,0,Vasodilator (coronary),1982.0
CHEMBL1697686,CCOC(=O)NC(C)(C)Cc1ccc(Cl)cc1,1078456,MOL,0,,
CHEMBL1697708,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+],1078476,MOL,0,Antibacterial,1981.0
CHEMBL1697717,CC1(C)[C@@H](OC(=O)CCC(=O)[O-])CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C.[Na+].[Na+],1078485,MOL,0,Glucocorticoid,
CHEMBL1697733,CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,1078496,MOL,0,,
CHEMBL1697737,CCc1cc2c(s1)N(C)C(=O)CN=C2c1ccccc1Cl,1078501,MOL,0,,
CHEMBL1697742,O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,1078506,MOL,0,,
CHEMBL1697744,O=C(O)CSCC(=O)NC1CCSC1=O,1078508,MOL,0,,
CHEMBL1697748,CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](C(=O)O)O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]3NC(C)=O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O,1078512,MOL,0,,
CHEMBL1697751,CC(C)Nc1ncccn1.O=P(O)(O)O,1078515,MOL,0,,
CHEMBL1697753,CC(=O)Oc1ccccc1C(=O)O.NCCCCC(N)C(=O)O,1078517,MOL,0,,
CHEMBL1697756,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC.C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,1078520,MOL,0,,
CHEMBL1697760,CC(c1ccc(Cl)c(Cl)c1)N1N=C(N)CC1=O,1078524,MOL,0,Antihypertensive; Diuretic,
CHEMBL1697766,CN1CCN(CCCN2c3ccccc3Sc3ccccc32)CC1,1078530,MOL,0,,
CHEMBL1697768,O=S(=O)([O-])Oc1ccc(C(c2ccc(OS(=O)(=O)[O-])cc2)c2ccccn2)cc1.[Na+].[Na+],1078532,MOL,0,,2012.0
CHEMBL1697771,O=C(NC(Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1,1078535,MOL,0,,
CHEMBL1697782,CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,1078542,MOL,0,,
CHEMBL1697838,COCCOc1cnc(NS(=O)(=O)c2ccccc2)nc1,1078587,MOL,0,Antidiabetic,
CHEMBL1697841,CNC(C)CCC=C(C)C,1078590,MOL,0,,
CHEMBL1697843,CO[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@@H]1C,1078592,MOL,0,,
CHEMBL1697844,O=C(OC[C@H]1O[C@](O)(COC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@@H]1OC(=O)c1cccnc1)c1cccnc1,1078593,MOL,0,,
CHEMBL1697845,CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,1078594,MOL,0,,
CHEMBL1697847,,1078596,NONE,0,Pharmaceutic Aid (surfactant),
CHEMBL1697851,CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,1078601,MOL,0,,
CHEMBL1697856,CCOc1ccc(NC(=O)CC(C)O)cc1,1078605,MOL,0,,
CHEMBL1698,CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1.Cl,545956,MOL,0,Antidepressant,1985.0
CHEMBL1699,CC12CC3CC(C)(C1)CC(N)(C3)C2.Cl,545974,MOL,0,,2003.0
CHEMBL169901,N=C(N)N1CCc2ccccc2C1,282577,MOL,0,Antihypertensive,
CHEMBL17,NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1,1085,MOL,0,Carbonic Anhydrase Inhibitor,1958.0
CHEMBL170,C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12,255947,MOL,0,"Antimalarial,Deterrent (smoking)",2005.0
CHEMBL1700,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1.Cl,546564,MOL,0,Anti-Adrenergic (beta-receptor),1992.0
CHEMBL1701,CCOC(=O)C1(c2ccccc2)CCN(C)CC1.Cl,547402,MOL,0,Analgesic (narcotic),1942.0
CHEMBL1702,CNCC[C@@H](Oc1ccccc1C)c1ccccc1.Cl,547576,MOL,0,,2002.0
CHEMBL1703,CN(C)C(=N)N=C(N)N.Cl,547681,MOL,0,Antidiabetic,1995.0
CHEMBL1705,Cl.Clc1cccc(Cl)c1NC1=NCCN1,548124,MOL,0,Antihypertensive,1974.0
CHEMBL1705373,COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1C(NC(C)=O)CC2,1086104,MOL,0,,
CHEMBL1705709,,1086440,NONE,0,,
CHEMBL1706,Cl.c1ccc2c(CC3=NCCN3)cccc2c1,548594,MOL,0,Adrenergic (vasoconstrictor),1971.0
CHEMBL1707,CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.Cl,548913,MOL,0,Antiperistaltic,1976.0
CHEMBL1707007,Cl.N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O,1087738,MOL,0,,
CHEMBL1708,Cl.Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,549367,MOL,0,,1992.0
CHEMBL1709,CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21.Cl,549372,MOL,0,Antidepressant,1991.0
CHEMBL170988,N=C(N)NC(=N)NCCc1ccccc1,282509,MOL,0,,
CHEMBL1711,CC(C)NCC(O)c1ccc(O)c(O)c1.Cl,550053,MOL,0,Bronchodilator,1956.0
CHEMBL1711280,CN(C)CC/C=C1\c2ccccc2CSc2ccccc21.Cl,1092011,MOL,0,Antidepressant,
CHEMBL1712842,CC(=O)O.CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1,1093573,MOL,0,,
CHEMBL1713,CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21.Cl,550303,MOL,0,Antipsychotic; Anti-Emetic,1957.0
CHEMBL1714,CNC1(c2ccccc2Cl)CCCCC1=O.Cl,550657,MOL,0,Anesthetic,1970.0
CHEMBL1715,CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cl,550857,MOL,0,Antidiabetic,1999.0
CHEMBL17157,CC(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,19569,MOL,0,Antihistaminic,1985.0
CHEMBL1716,CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1.Cl,550917,MOL,0,Antihistaminic; Antipruritic,1961.0
CHEMBL171679,COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O,285694,MOL,0,Sweetener,
CHEMBL1716983,C[n+]1ccc(C(=O)NCc2ccccc2)cc1.[I-],1097714,MOL,0,,
CHEMBL1717,Cl.Clc1ccccc1CN1CCc2sccc2C1,551003,MOL,0,Inhibitor (platelet),1991.0
CHEMBL1718,C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5.Cl,551147,MOL,0,Antagonist (to narcotics),1971.0
CHEMBL1719,CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21.Cl,551224,MOL,0,Anti-Allergic,1996.0
CHEMBL1720,Cl.O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2,551486,MOL,0,Antinauseant; Anti-Emetic,2003.0
CHEMBL1721515,O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1,1102246,MOL,0,,
CHEMBL1722,COC(=O)C(c1ccccc1)C1CCCCN1.Cl,552883,MOL,0,Stimulant (central),1955.0
CHEMBL1722209,Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1.O=C(O)C(O)C(O)C(=O)O,1102940,MOL,0,,1998.0
CHEMBL1723,COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC.Cl,553490,MOL,0,Antihypertensive (alpha-blocker),2003.0
CHEMBL1723241,CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1.O.[Na+],1103972,MOL,0,,1961.0
CHEMBL1724,C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-],554127,MOL,0,Anticholinergic,1956.0
CHEMBL1725,COCC(=O)Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I,554800,MOL,0,Diagnostic Aid (radiopaque medium),1995.0
CHEMBL172513,C[N+](C)(C)CC(O)CC(=O)[O-],283927,MOL,0,,
CHEMBL1725730,COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2.O=C(O)/C=C\C(=O)O,1106461,MOL,0,,
CHEMBL1726,COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)C1c1ccccc1[N+](=O)[O-],554892,MOL,0,Vasodilator (coronary),1995.0
CHEMBL1727,CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1,555972,MOL,0,Antibacterial,1971.0
CHEMBL1727605,,1108336,NONE,0,,
CHEMBL1728,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21.Cl,557467,MOL,0,Antibacterial,1992.0
CHEMBL1729,COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCOc2ccc(F)cc2)CC1OC,557741,MOL,0,Stimulant (peristaltic),1993.0
CHEMBL1730,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(N)n1,558106,MOL,0,Antibacterial,1981.0
CHEMBL1730601,Oc1cc(O)c(Cl)cn1,1111332,MOL,0,,
CHEMBL1731,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(S(C)(=O)=O)C3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,558295,MOL,0,Antibacterial,1981.0
CHEMBL1732,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,558566,MOL,0,Anti-Adrenergic,1946.0
CHEMBL1733174,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1.O=C(O)CC(O)(CC(=O)O)C(=O)O,1113905,MOL,0,,
CHEMBL1734,O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1,561914,MOL,0,,2004.0
CHEMBL1735,CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O.O=S(=O)(O)O,563318,MOL,0,Antiviral,1996.0
CHEMBL1736,CC(=O)Nc1c(I)c(C(=O)O)c(I)c(N(C)C(C)=O)c1I,563573,MOL,0,Diagnostic Aid (radiopaque medium),
CHEMBL1737,CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12.O=C(O)CC(O)(CC(=O)O)C(=O)O,564291,MOL,0,Impotence Therapy,1998.0
CHEMBL1738,C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1,567195,MOL,0,Cardioprotectant,1995.0
CHEMBL1738699,Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-n2ccnc2)cc1,1117746,MOL,0,,
CHEMBL1738797,CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O,1117844,MOL,0,,2015.0
CHEMBL1738889,C[C@](O)(COc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,1117936,MOL,0,,
CHEMBL1739,COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3.[I-].[I-],567201,MOL,0,Neuromuscular Blocking Agent,1982.0
CHEMBL173929,CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,288612,MOL,0,,
CHEMBL174,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O,305519,MOL,0,Antibacterial,1965.0
CHEMBL1740513,CC(C)Nc1ncccn1,1119564,MOL,0,,
CHEMBL1740659,C/C(=C(/CCO)SSCC1CCCO1)N(C=O)Cc1cnc(C)nc1N,1119710,MOL,0,,
CHEMBL1741,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,570147,MOL,0,Antibacterial,1991.0
CHEMBL1741134,O=S(=O)(O)Oc1ccc(C(c2ccc(OS(=O)(=O)O)cc2)c2ccccn2)cc1,1120185,MOL,0,,2012.0
CHEMBL1742408,c1ccc2c(c1)OC[C@H](CNCCCOc1ccc3c(c1)OCO3)O2,1121279,MOL,0,,
CHEMBL1742423,CCOCCn1c(C2CCN(CCc3ccc(C(C)(C)C(=O)O)cc3)CC2)nc2ccccc21,1121294,MOL,0,,
CHEMBL1742424,CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1.Cl,1121295,MOL,0,Anti-Adrenergic (beta-receptor),
CHEMBL1742461,O=C(C[S+]([O-])Cc1ccco1)NC/C=C\COc1cc(CN2CCCCC2)ccn1,1121332,MOL,0,,
CHEMBL1742466,CC1(C)OC[C@@H](COC(=O)CCc2ccc(OC[C@@H](O)CNCCNC(=O)N3CCOCC3)cc2)O1,1121337,MOL,0,,
CHEMBL1742471,N=C(N)Nc1nc(CSCCN/C=N/S(=O)(=O)c2ccc(Br)cc2)cs1,1121342,MOL,0,,
CHEMBL1742981,,1121852,SEQ,0,,
CHEMBL1742982,,1121853,SEQ,0,,2011.0
CHEMBL1742989,,1121860,SEQ,0,,
CHEMBL1742990,,1121861,SEQ,1,,2011.0
CHEMBL1742991,,1121862,SEQ,1,,2017.0
CHEMBL1742992,,1121863,SEQ,1,,2014.0
CHEMBL1742994,,1121865,SEQ,1,,2011.0
CHEMBL1742995,,1121866,SEQ,0,,
CHEMBL1742996,,1121867,SEQ,1,,2017.0
CHEMBL1743004,,1121875,SEQ,0,,
CHEMBL1743007,,1121878,SEQ,1,,2015.0
CHEMBL1743009,,1121880,SEQ,0,,
CHEMBL1743010,,1121881,SEQ,1,,2015.0
CHEMBL1743015,,1121886,SEQ,0,,
CHEMBL1743016,,1121887,SEQ,0,,
CHEMBL1743019,,1121890,SEQ,0,,
CHEMBL1743023,,1121894,SEQ,0,,
CHEMBL1743024,,1121895,SEQ,0,,
CHEMBL1743025,,1121896,SEQ,0,,
CHEMBL1743026,,1121897,SEQ,0,,
CHEMBL1743027,,1121898,SEQ,0,,
CHEMBL1743029,,1121900,SEQ,1,,2018.0
CHEMBL1743033,,1121904,SEQ,0,,
CHEMBL1743034,,1121905,SEQ,0,,2016.0
CHEMBL1743035,,1121906,SEQ,0,,
CHEMBL1743041,,1121912,SEQ,1,,2018.0
CHEMBL1743042,,1121913,SEQ,0,,
CHEMBL1743043,,1121914,SEQ,0,,2018.0
CHEMBL1743047,,1121918,SEQ,0,,2015.0
CHEMBL1743048,,1121919,SEQ,0,,2013.0
CHEMBL1743049,,1121920,SEQ,0,,2016.0
CHEMBL1743050,,1121921,SEQ,0,,
CHEMBL1743051,,1121922,SEQ,0,,
CHEMBL1743052,,1121923,SEQ,0,,
CHEMBL1743053,,1121924,SEQ,0,,
CHEMBL1743059,,1121930,SEQ,0,,
CHEMBL1743062,,1121933,SEQ,0,,2014.0
CHEMBL1743063,,1121934,SEQ,0,,
CHEMBL1743068,,1121939,SEQ,1,,2015.0
CHEMBL1743070,,1121941,SEQ,1,,2014.0
CHEMBL1743071,,1121942,SEQ,0,,
CHEMBL1743072,,1121943,SEQ,0,,
CHEMBL1743073,,1121944,SEQ,0,,
CHEMBL1743075,,1121946,SEQ,0,,
CHEMBL1743078,,1121949,SEQ,0,,
CHEMBL1743079,,1121950,SEQ,1,,2020.0
CHEMBL1743080,,1121951,SEQ,0,,
CHEMBL1743081,,1121952,SEQ,0,,
CHEMBL1743082,,1121953,SEQ,1,,2013.0
CHEMBL1743087,,1121958,SEQ,1,,2014.0
CHEMBL1743090,,1121961,SEQ,0,Radioactive Agent,
CHEMBL1743260,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CC[Si](C)(C)C)cccc3nc2-1,1122108,MOL,0,,
CHEMBL1744033,,1122604,NONE,0,,
CHEMBL1744447,CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2],1123018,MOL,0,,2003.0
CHEMBL1746,O=C([O-])CCCc1ccccc1.[Na+],575670,MOL,0,Antihyperammonemic,1996.0
CHEMBL1747,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O,577488,MOL,0,Antibacterial,1975.0
CHEMBL1749,O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)O.[Na+].[Na+],580438,MOL,0,Pharmaceutic Aid (chelating agent); Chelating Agent (metal),1982.0
CHEMBL175,CC(C)Cc1ccc([C@H](C)C(=O)O)cc1,317909,MOL,0,Anti-Inflammatory; Analgesic,
CHEMBL1750,Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F,581569,MOL,0,,2004.0
CHEMBL1751,C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O,581814,MOL,0,Cardiotonic,1975.0
CHEMBL1752,Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O,581819,MOL,0,Bronchodilator,1951.0
CHEMBL175247,CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O,293438,MOL,0,Inhibitor (pancreatic lipase),1999.0
CHEMBL1753,CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1,581843,MOL,0,Antibacterial,1970.0
CHEMBL1754,CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O,581848,MOL,0,Stimulant (respiratory),1965.0
CHEMBL1755,Cc1nc2c([nH]1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1-2,581850,MOL,0,,2005.0
CHEMBL1756,C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)(O)O,581858,MOL,0,Antineoplastic,1981.0
CHEMBL175691,Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1,296388,MOL,0,,2011.0
CHEMBL1757,C[C@@H]1O[C@@H]1P(=O)(O)O,581859,MOL,0,Antibacterial,1996.0
CHEMBL176,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,325238,MOL,0,,
CHEMBL1760,CC(C)(C)NCC(O)c1cc(O)cc(O)c1,583322,MOL,0,Bronchodilator,1974.0
CHEMBL1761,Cl.OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,583519,MOL,0,Antiparkinsonian; Relaxant (skeletal muscle),1955.0
CHEMBL1762,Cc1cccc(C)c1NC(=O)C(C)N,583520,MOL,0,Cardiac Depressant (anti-arrhythmic),1984.0
CHEMBL1762621,COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2,1139916,MOL,0,,
CHEMBL1763,NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O,583522,MOL,0,Antihypertensive; Diuretic,1959.0
CHEMBL1764,COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2,583530,MOL,0,Analgesic,1982.0
CHEMBL1765292,CCC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1,1140314,MOL,0,,
CHEMBL1766,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,591037,MOL,0,Anti-Inflammatory,1977.0
CHEMBL176687,CC1=CC(=O)NS(=O)(=O)O1,292300,MOL,0,,
CHEMBL1767407,Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)O2)c(=O)n1.[Na+].[Na+].[Na+].[Na+],1142450,MOL,0,,
CHEMBL1767408,O=c1ccn([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1.[Na+].[Na+].[Na+].[Na+],1142451,MOL,0,,
CHEMBL1768,CC(C[N+](C)(C)C)OC(N)=O.[Cl-],594843,MOL,0,Cholinergic,1948.0
CHEMBL1769,CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC.Cl,595277,MOL,0,Anesthetic (local),1982.0
CHEMBL177,NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O,333157,MOL,0,Antibacterial,1981.0
CHEMBL1770,Cl.c1ccc([C@H]2CN3CCSC3=N2)cc1,596044,MOL,0,Biological Response Modifier,1990.0
CHEMBL1770248,CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1,1142547,MOL,0,,2017.0
CHEMBL1770916,CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(C)(C)C)cn1,1143222,MOL,0,,
CHEMBL1771,COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1,598402,MOL,0,Inhibitor (platelet),1997.0
CHEMBL1773,CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F,598447,MOL,0,Antineoplastic,1998.0
CHEMBL177367,O=[N+]([O-])[O-].[Ag+],294933,MOL,0,,
CHEMBL1774461,CNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])nc2)cc1,1145509,MOL,1,,2012.0
CHEMBL1779710,CC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F,1148185,MOL,0,,
CHEMBL178,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,336913,MOL,0,Antineoplastic,1979.0
CHEMBL178459,Cc1c(-c2cnccn2)ssc1=S,300769,MOL,0,,
CHEMBL17860,CC(Oc1c(Cl)cccc1Cl)C1=NCCN1,20130,MOL,1,Antihypertensive,2018.0
CHEMBL178803,CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1,300585,MOL,0,,
CHEMBL1788132,CC(Oc1c(Cl)cccc1Cl)C1=NCCN1.Cl,1151796,MOL,1,Antihypertensive,2018.0
CHEMBL1789842,CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2.O=C(O)/C=C\C(=O)O,1153493,MOL,0,,2011.0
CHEMBL1789843,,1153494,SEQ,1,,2011.0
CHEMBL1789844,,1153495,SEQ,1,,2011.0
CHEMBL1789941,N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1,1153572,MOL,1,,2011.0
CHEMBL1790041,CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1,1153672,MOL,0,Antagonist (to histamine-H2 receptors),1983.0
CHEMBL1795071,N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1.O=P(O)(O)O,1158402,MOL,1,,2011.0
CHEMBL1795072,,1158403,SEQ,0,,2004.0
CHEMBL1796997,[He],1160052,MOL,0,"Gases, Diluent for",2015.0
CHEMBL1796998,FS(F)(F)(F)(F)F,1160053,MOL,0,,
CHEMBL17976,C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(COC(=O)Cc1ccc(O)c(OC)c1)C[C@]1(O)C(=O)C(C)=C[C@H]14)O2,20668,MOL,0,,
CHEMBL18,CCOc1ccc2nc(S(N)(=O)=O)sc2c1,1096,MOL,0,,1982.0
CHEMBL1800159,CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)C)c(=O)n(-c2ccc(OC)nn2)c(=O)n3Cc2c(F)cccc2F)cc1,1161221,MOL,0,,2020.0
CHEMBL180022,CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C,299120,MOL,0,,2017.0
CHEMBL1800807,COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C,1161875,MOL,0,,
CHEMBL1800955,COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CC1,1162025,MOL,0,,
CHEMBL180101,CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1,302799,MOL,0,,
CHEMBL1801800,O=C(Nc1ccccc1)c1cc(Br)cc(Br)c1O,1162878,MOL,0,Disinfectant,
CHEMBL180570,O=P(O)(O)CP(=O)(O)O,302314,MOL,0,Pharmaceutic Aid,
CHEMBL1808388,OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(OCCOC4CC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O,1166082,MOL,0,,
CHEMBL181,CC1=NS(=O)(=O)c2cc(Cl)ccc2N1,364859,MOL,0,Antihypertensive,1973.0
CHEMBL181932,O=C(O)c1nc(=O)[nH]c(=O)[nH]1,300973,MOL,0,,
CHEMBL182,Nc1nc(O)c2ncn(COC(CO)CO)c2n1,365284,MOL,0,Antiviral,1989.0
CHEMBL1823872,C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O,1173967,BOTH,0,,
CHEMBL1829174,Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1,1175867,MOL,0,,
CHEMBL184,Nc1nc(O)c2ncn(COCCO)c2n1,365538,MOL,0,Antiviral,1982.0
CHEMBL184412,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1,308422,MOL,0,,2009.0
CHEMBL18442,c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1,20346,MOL,1,,2008.0
CHEMBL184618,NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,312304,MOL,0,"Antibacterial,Antifungal; Antibacterial",
CHEMBL185,O=c1[nH]cc(F)c(=O)[nH]1,368538,MOL,0,Antineoplastic,1962.0
CHEMBL185073,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1,306486,MOL,0,Neuromuscular Blocking Agent,1972.0
CHEMBL1851943,CCCCc1nc2cc(/C=C/C(=O)NO)ccc2n1CCN(CC)CC,1192622,MOL,0,,
CHEMBL1852688,CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1,1193367,MOL,0,,
CHEMBL186,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1,372385,MOL,0,Antibacterial,1996.0
CHEMBL186141,C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1O,308355,MOL,0,,
CHEMBL186179,COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2)cc1,311988,MOL,0,,
CHEMBL186314,O=C([O-])[O-].[Na+].[Na+],311503,MOL,0,Pharmaceutic Aid (alkalizing agent),1982.0
CHEMBL1863513,C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,1204084,MOL,1,,2010.0
CHEMBL1863514,,1204085,NONE,0,,2011.0
CHEMBL1863515,,1204086,NONE,1,,2012.0
CHEMBL1868702,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC,1209273,MOL,0,Progestin,
CHEMBL1870768,CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1.O=C(O)/C=C\C(=O)O,1211339,MOL,0,Antihistaminic,
CHEMBL1873475,C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,1214046,MOL,1,,2013.0
CHEMBL1874750,COc1cc(/C=C/C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1OC,1215321,MOL,0,,1980.0
CHEMBL187709,CCN(CC)CCOc1ccc(C(O)(Cc2ccc(Cl)cc2)c2ccc(C)cc2)cc1,316600,MOL,0,,
CHEMBL187927,c1cnc2c(c1)O[C@H]1CCN3CC[C@@]1(C2)C3,316336,MOL,0,,
CHEMBL1879463,Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21,1220034,MOL,0,,
CHEMBL188185,CCCC(=O)N1CCCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1,315827,MOL,0,,
CHEMBL1887891,CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1.Cl,1228462,MOL,0,Appetite Suppressant (systemic),
CHEMBL1888176,O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1,1228747,MOL,0,,2004.0
CHEMBL1889140,CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.Cl,1229711,MOL,0,,1996.0
CHEMBL1889436,C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O.O.O.O.O.O.O.O.O,1230007,MOL,0,,
CHEMBL188952,CC(C(=O)O)c1ccc(N2CC=CC2)c(Cl)c1,314827,MOL,0,Anti-Inflammatory,1987.0
CHEMBL189,Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1,380567,MOL,0,Cardiotonic,1987.0
CHEMBL18901,Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)O)cc2)c1,21393,MOL,0,,
CHEMBL189171,COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,314587,MOL,0,,
CHEMBL189475,C[C@@H](C(=O)NS(C)(=O)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1,320007,MOL,0,,
CHEMBL1898387,COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1,1238958,MOL,0,,
CHEMBL189963,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O,319858,MOL,1,,2015.0
CHEMBL19,CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C,1124,MOL,0,Carbonic Anhydrase Inhibitor,1959.0
CHEMBL190,Cn1c(=O)c2nc[nH]c2n(C)c1=O,381693,MOL,0,"Bronchodilator,Diuretic; Relaxant (smooth muscle),Relaxant (smooth muscle)",1940.0
CHEMBL190044,CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C,321213,MOL,0,,
CHEMBL1900528,C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21,1241099,MOL,0,,2004.0
CHEMBL190083,C[C@@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1,317540,MOL,0,,
CHEMBL19019,O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,21459,MOL,0,Antagonist (to narcotics),1984.0
CHEMBL1902981,CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1,1243552,MOL,0,,
CHEMBL190461,C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O,318390,MOL,0,,2018.0
CHEMBL1905872,CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+],1246443,MOL,0,Stool Softener; Pharmaceutic Aid (surfactant),
CHEMBL190677,O=C(c1ccccc1)C(O)c1ccccc1,318924,MOL,0,Protectant (topical),
CHEMBL1906890,CC[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12,1247476,MOL,0,,
CHEMBL1908305,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CC[S@@+]([O-])C3)S[C@H]12,1248676,MOL,0,,
CHEMBL1908307,Cn1cc([S+](C)[O-])c(=O)c2ccc(F)cc21,1248678,MOL,0,Antihypertensive (vasodilator),1992.0
CHEMBL1908315,CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C/C(=O)OC,1248686,MOL,0,Prostaglandin,
CHEMBL1908359,O=P([O-])([O-])F.[Na+].[Na+],1248730,MOL,0,Dental Caries Prophylactic,1986.0
CHEMBL1908360,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C,1248731,MOL,0,,2009.0
CHEMBL1908361,Nc1nc(=O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2C=O.[Ca+2],1248732,MOL,0,Antidote (to folic acid antagonists),2008.0
CHEMBL1908362,,1248733,NONE,0,,2008.0
CHEMBL1908365,OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,1248736,MOL,0,,
CHEMBL1908370,N#Cc1c(N2C[C@@H]3NCCO[C@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,1248741,MOL,0,,2014.0
CHEMBL1908371,CO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@H]2O[C@@H](C(=O)[O-])[C@@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](OC)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)[C@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])[C@H](OC)[C@H]2OC)[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],1248742,MOL,0,,
CHEMBL1908373,CN(C)c1ccc([C@H]2C[C@]3(C)[C@@H](CC[C@]3(O)CCCO)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,1248744,MOL,0,,
CHEMBL1908376,C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/C=C/C(O)(CC)CC)C[C@@H](O)C[C@@H]1O,1248747,MOL,0,,
CHEMBL1908377,Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.O=C([O-])c1cc2ccccc2c(Cc2c(O)c(C(=O)[O-])cc3ccccc23)c1O,1248748,MOL,0,Anthelmintic,1982.0
CHEMBL1908391,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nc(-c2cccnc2)cs1,1248752,MOL,0,,
CHEMBL1908841,Nc1nc(=O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O,1248760,MOL,0,Antidote (to folic acid antagonists),2008.0
CHEMBL1908843,,1248762,NONE,0,,2008.0
CHEMBL1908906,CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)cc2)cc1,1248825,MOL,0,,2014.0
CHEMBL1908919,CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)nc2)cc1,1248838,MOL,1,,2012.0
CHEMBL1909055,,1248979,NONE,0,Radioactive Agent,
CHEMBL1909072,NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,1248996,MOL,0,,
CHEMBL1909079,,1249004,NONE,0,,
CHEMBL1909282,O=C(O)Cc1csc(-c2ccc(Cl)cc2)n1,1249052,MOL,0,,
CHEMBL1909283,CC(NN)c1ccccc1,1249053,MOL,0,,
CHEMBL1909285,Cc1nc([N+](=O)[O-])cn1-c1ccc([N+](=O)[O-])cc1,1249055,MOL,0,,
CHEMBL1909286,CC(COc1ccccc1)NN,1249056,MOL,0,,
CHEMBL1909288,CC(=O)Oc1ccc(C2(c3ccc(OC(C)=O)cc3)C(=O)N(C(C)=O)c3ccccc32)cc1,1249058,MOL,0,,
CHEMBL1909289,CCOC(Nc1ccc(C(=O)O)cc1)C(=O)c1ccc(-c2ccccc2)cc1,1249059,MOL,0,,
CHEMBL1909298,COc1cc(Br)c(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)cc1OC.[Br-],1249064,MOL,0,,
CHEMBL1909324,COc1cc(Br)c(C[N+]2(CCOCCC3CCC4CC3C4(C)C)CCOCC2)cc1OC,1249092,MOL,0,,
CHEMBL191,CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,408842,MOL,0,Antihypertensive,1995.0
CHEMBL191083,CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1,316765,MOL,0,Antidote (to cyanide poisoning); Antimethemoglobinemic,2016.0
CHEMBL191413,CC(C)Cc1ccc([C@@H](C)C(=O)NS(C)(=O)=O)cc1,316774,MOL,0,,
CHEMBL192,CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12,410802,MOL,0,Impotence Therapy,1998.0
CHEMBL19215,CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21,21938,MOL,0,,
CHEMBL1921976,CNC(=O)c1ccc2cc([C@@]3(O)CCn4cncc43)ccc2c1,1265566,MOL,0,,
CHEMBL1922235,COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1,1265828,MOL,0,,
CHEMBL19224,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,21716,MOL,0,Relaxant (smooth muscle),
CHEMBL1922660,CCOc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c4cc(OCc5ccc(C)cn5)ccc43)cc2)cn1,1266257,MOL,0,,
CHEMBL1922673,CCOc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)[O-])c(SC(C)(C)C)c4cc(OCc5ccc(C)cn5)ccc43)cc2)cn1.[Na+],1266270,MOL,0,,
CHEMBL1923502,C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1.Cl.O,1267108,MOL,0,,
CHEMBL19236,COc1nc(C)nc(Cl)c1NC1=NCCN1,21698,MOL,0,,
CHEMBL1929396,Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)cn2n1,1270372,MOL,0,,
CHEMBL19299,CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1,22873,MOL,0,,
CHEMBL193,COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-],419596,MOL,0,Vasodilator (coronary),1981.0
CHEMBL193240,O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1,321696,MOL,1,,2011.0
CHEMBL193482,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O,328137,MOL,0,Estrogen,
CHEMBL19449,CC(C)C(=O)c1c(C(C)C)nn2ccccc12,23745,MOL,0,,
CHEMBL1945778,COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2CCCF,1277157,MOL,0,,2011.0
CHEMBL1946170,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1,1277553,MOL,0,,2012.0
CHEMBL19490,Cc1cc(CC(=O)O)n(C)c1C(=O)c1ccc(Cl)cc1,23001,MOL,0,Analgesic; Anti-Inflammatory,1980.0
CHEMBL1950554,Nc1nc(N/N=C/C2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,1279532,MOL,0,,
CHEMBL1950576,CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O,1279554,MOL,0,Antibacterial,
CHEMBL1950649,CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CC[C@H]4CC[C@H](C(=O)OC)CC4)nc32)[C@H](O)[C@@H]1O,1279628,MOL,0,,
CHEMBL1951071,COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1.O=C(O)C(O)C(O)C(=O)O,1280054,MOL,0,,2006.0
CHEMBL1951095,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)c(NC(=O)CN5CCCC5)cc(F)c4C[C@H]3C[C@@H]12,1280078,MOL,0,,2018.0
CHEMBL1951143,CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,1280127,MOL,0,,
CHEMBL195560,Oc1ccc(C2=COc3cc(O)ccc3C2)cc1,321667,MOL,0,,
CHEMBL195591,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.Cc1cc(CS(=O)(=O)c2ccc(N)cc2)no1,324977,MOL,0,,
CHEMBL196,O=C1O[C@H]([C@@H](O)CO)C(O)=C1O,443348,MOL,0,Acidifier (urlnary); Vitamin (antiscorbutic),1985.0
CHEMBL1963249,C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1,1284960,MOL,0,,
CHEMBL1963681,COc1ccc(C/N=c2\[nH]c(N3CCC[C@H]3CO)ncc2C(=O)NCc2ncccn2)cc1Cl,1285392,MOL,0,,2011.0
CHEMBL1963683,CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/C(F)(F)COc1ccccc1,1285394,MOL,0,,2012.0
CHEMBL1963684,,1285395,NONE,1,,2012.0
CHEMBL1963685,,1285396,NONE,1,,2012.0
CHEMBL1964120,,1285397,NONE,0,,2012.0
CHEMBL197084,C[C@@]1(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCN1C(=O)CN,325711,BOTH,0,,
CHEMBL1972860,CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccccc1,1294151,MOL,0,,
CHEMBL1980825,O=C1CC[C@H](NC(=O)Cc2ccccc2)C(=O)N1,1302116,MOL,0,,
CHEMBL1983268,CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1,1304559,MOL,0,,2019.0
CHEMBL1983350,CC(C)(C)C(O)/C=C/c1ccc2c(c1)OCO2,1304641,MOL,0,Anticonvulsant,2018.0
CHEMBL198362,O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1,328601,MOL,1,,2011.0
CHEMBL1985928,CNC(C)Cc1ccccc1OC.Cl,1307219,MOL,0,,
CHEMBL1987462,CCCCNCC(O)c1ccc(O)cc1,1308753,MOL,0,Vasodilator,
CHEMBL1998966,C/C(=N\O)c1ccc(OCC(=O)N2CCCCC2)cc1,1320257,MOL,0,,
CHEMBL2,COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC,97,MOL,0,Antihypertensive,1976.0
CHEMBL20,CC(=O)Nc1nnc(S(N)(=O)=O)s1,1125,MOL,0,Carbonic Anhydrase Inhibitor,1953.0
CHEMBL2000813,Br.Oc1ccc(C(O)C2CCCCN2)cc1O,1322104,MOL,0,,
CHEMBL2003538,CCCCCCCCCCCCCCCC[n+]1ccccc1.O.[Cl-],1324829,MOL,0,"Anti-Infective, Topical; Pharmaceutic Aid (preservative)",
CHEMBL2004297,CCN(CC)C(=S)SC(=S)N(CC)CC,1325588,MOL,0,,
CHEMBL2007641,,1328912,SEQ,0,,2012.0
CHEMBL2009089,O=[Se](O)O,1330340,MOL,0,,2019.0
CHEMBL2010507,CNC(C)Cc1ccccc1OC,1331758,MOL,0,,
CHEMBL2010601,CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O,1331852,MOL,1,,2012.0
CHEMBL2013119,COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCC(=O)[O-])c2)c(OC)c1.[Na+],1334185,MOL,0,,
CHEMBL2017179,Cc1cc(C)c2c(c1)[C@@H](N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)CCCN2C[C@H]1CC[C@H](C(=O)O)CC1,1334901,MOL,0,,
CHEMBL2017974,Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1,1335704,MOL,0,,
CHEMBL2018096,OC[C@H]1O[C@@H](c2ccc(F)c(Cc3cc4ccccc4s3)c2)[C@H](O)[C@@H](O)[C@@H]1O,1335827,MOL,0,,
CHEMBL201960,CCCC(C(=O)c1ccc(C)cc1)N1CCCC1,339024,MOL,0,Stimulant (central),
CHEMBL2021422,CC(C)c1cccc(C(C)C)c1OCOP(=O)([O-])[O-].[Na+].[Na+],1336997,MOL,0,,2008.0
CHEMBL2021423,O=S(=O)([O-])[O-].[Mg+2],1336998,MOL,0,Anticonvulsant; Replenisher (electrolyte); Laxative,1981.0
CHEMBL2021424,O=S(=O)([O-])[O-].[K+].[K+],1336999,MOL,0,,2010.0
CHEMBL2021430,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+],1337005,MOL,0,,1959.0
CHEMBL2023895,N=C(N)c1ccc(/C=C/c2ccc(C(=N)N)cc2O)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO,1339278,MOL,0,,1953.0
CHEMBL2023898,COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C,1339281,MOL,0,,2015.0
CHEMBL2024517,CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1.Cl,1339907,MOL,0,,2015.0
CHEMBL2028019,CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1,1340277,MOL,0,,2015.0
CHEMBL2028661,CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1,1340892,MOL,0,,2011.0
CHEMBL2028663,CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1,1340894,MOL,0,,2013.0
CHEMBL2028850,N=C(N)NCCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCCNC(=N)N)C(=O)O,1341082,BOTH,1,Antagonist (bradykinin),2011.0
CHEMBL2028852,CC(=O)O.N=C(N)NCCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCCNC(=N)N)C(=O)O,1341084,BOTH,1,Antagonist (bradykinin),2011.0
CHEMBL2028987,CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)C(=O)N[C@H](Cc1ccc(NC(N)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O.CC(=O)O,1341219,MOL,0,,2008.0
CHEMBL203125,O=CN(O)CCCP(=O)(O)O,343725,MOL,0,,
CHEMBL203266,COc1ccc(CN2CCNCC2)c(OC)c1OC,341383,MOL,0,,
CHEMBL203321,CCCCCCCCCCCCCCCCOCCCOP(=O)(O)CO[C@H](CO)Cn1ccc(N)nc1=O,341064,MOL,0,,
CHEMBL2035187,C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC/1,1344709,MOL,0,,
CHEMBL2035874,CC(C)c1cc(Oc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)ccc1O,1345403,MOL,0,,
CHEMBL204021,CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCC2,154,MOL,0,,
CHEMBL2040682,CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C,1347273,MOL,0,,2006.0
CHEMBL2042122,CNc1ccc(-c2nc3ccc(O)cc3s2)cc1[18F],1348550,MOL,0,,2013.0
CHEMBL2043437,CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1,1349878,MOL,0,,2018.0
CHEMBL204656,COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C,340684,MOL,0,,2012.0
CHEMBL2048028,CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)O)c1,1351456,MOL,1,,2016.0
CHEMBL2048484,Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1,1351917,MOL,1,,2011.0
CHEMBL2051955,C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1,1352913,MOL,0,,
CHEMBL205596,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,343964,MOL,0,,2015.0
CHEMBL2062163,C[C@H]1[C@H](c2ccccc2)OCCN1C.O=C(O)C(O)C(O)C(=O)O,1355754,MOL,0,,1976.0
CHEMBL2062257,Brc1c(NC2=NCCN2)ccc2nccnc12.O=C(O)C(O)C(O)C(=O)O,1355848,MOL,0,Adrenergic (ophthalmic),1996.0
CHEMBL2062259,O=C(O)C(O)C(O)C(=O)O.c1cnc2cc3c(cc2n1)C1CNCC3C1,1355850,MOL,0,,2006.0
CHEMBL2062262,C[C@H](N)[C@H](O)c1cccc(O)c1.O=C(O)C(O)C(O)C(=O)O,1355853,MOL,0,Adrenergic,1954.0
CHEMBL2062263,NCCS.O=C(O)C(O)C(O)C(=O)O,1355854,MOL,0,,1994.0
CHEMBL2062264,CNC[C@H](O)c1cccc(O)c1.O=C(O)C(O)C(O)C(=O)O,1355855,MOL,0,,1973.0
CHEMBL2062266,COc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314.O=C(O)C(O)C(O)C(=O)O,1355857,MOL,0,Analgesic,1983.0
CHEMBL2062276,C=CCN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13.O=C(O)C(O)C(O)C(=O)O,1355867,MOL,0,,1982.0
CHEMBL2062335,COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)C(O)C(O)C(=O)O,1355926,MOL,0,,1978.0
CHEMBL206253,Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,341603,MOL,0,,2014.0
CHEMBL2063090,C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(=O)NS(=O)(=O)C1CC1,1356484,MOL,0,,2016.0
CHEMBL2064032,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1.O=C(O)/C=C/C(=O)O,1357436,MOL,0,,
CHEMBL2068237,,1358551,NONE,0,,1978.0
CHEMBL2068408,O=[Si](O)O,1358722,MOL,0,,
CHEMBL2068723,CC(=O)Nc1c(I)c(C(=O)[O-])c(I)c(N(C)C(C)=O)c1I.CC(=O)Nc1c(I)c(C(=O)[O-])c(I)c(N(C)C(C)=O)c1I.[Ca+2],1359037,MOL,0,,
CHEMBL2068724,CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2],1359038,MOL,0,,2004.0
CHEMBL2068725,CN(C)/C=N/c1c(I)cc(I)c(CCC(=O)[O-])c1I.CN(C)/C=N/c1c(I)cc(I)c(CCC(=O)[O-])c1I.[Ca+2],1359039,MOL,0,Diagnostic Aid (radiopaque medium),
CHEMBL2068884,O=C([O-])[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O.[Na+],1359198,MOL,0,Replenisher (electrolyte),
CHEMBL2070241,CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O,1360388,BOTH,1,,2019.0
CHEMBL2074655,Nc1nc(=O)c2c([nH]1)NC[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2,1362461,MOL,0,,
CHEMBL2074689,Cl.Cl.Cl.O[C@@H](COc1cccc2ncccc12)CN1CCN([C@@H]2c3ccccc3[C@@H]3[C@H](c4ccccc42)C3(F)F)CC1,1362495,MOL,0,,
CHEMBL2074972,COC(=O)C1=C(C)NC(C)=C(C(=O)OC2CCCN(Cc3ccccc3)C2)C1c1cccc([N+](=O)[O-])c1,1362783,MOL,0,,
CHEMBL207538,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,348726,MOL,1,,2019.0
CHEMBL2079130,CNCc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1,1363360,MOL,0,,
CHEMBL2079587,C[C@]12Cc3c[nH]nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,1363818,MOL,0,Androgen,1962.0
CHEMBL2079699,,1363930,NONE,0,,
CHEMBL2087003,NC(=O)OC[C@@H](O)c1ccccc1Cl,1364661,MOL,0,,
CHEMBL2087361,C#Cc1cccc(Nc2ncnc3cc4c(cc23)OCCOCCOCCO4)c1,1365023,MOL,0,,
CHEMBL20883,O=c1[nH]c(=O)n(C2CCCO2)cc1F,24522,MOL,0,Antineoplastic,
CHEMBL2095207,C[N+](C)([11CH3])CCO.[Cl-],1369603,MOL,0,,2012.0
CHEMBL2095208,CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1,1369604,MOL,0,,2012.0
CHEMBL2095209,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC,1369605,MOL,0,,2012.0
CHEMBL2095211,C[C@H]1CNCCc2ccc(Cl)cc21.Cl,1369607,MOL,1,,2012.0
CHEMBL2095212,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1,1369608,MOL,1,,2012.0
CHEMBL2095222,,1369610,NONE,1,,2010.0
CHEMBL2095223,CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O,1369611,MOL,0,,
CHEMBL2096629,,1369638,NONE,0,,2003.0
CHEMBL2096631,O=C([O-])C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O.[K+].[K+].[OH-],1369640,MOL,0,Tranquilizer (minor),1972.0
CHEMBL2096633,O=[Si]([O-])O[Si]([O-])([O-])O[Si](=O)[O-].[Mg+2].[Mg+2],1369642,MOL,0,Antacid,1983.0
CHEMBL2096634,,1369643,NONE,0,Diagnostic Aid (blood volume determination); Radioactive Agent,
CHEMBL2096635,N[14C](N)=O,1369644,MOL,0,,1997.0
CHEMBL2096637,C=C/C=C\CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](/C=C(\C)C(=O)OC)C2(C)C)CC1=O.C=C/C=C\CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O,1369646,MOL,0,,2000.0
CHEMBL2096639,CC[C@H](C)[C@H](N)C1=N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)[O-])NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC)CS1.[Zn+2],1369648,BOTH,0,Antibacterial,1957.0
CHEMBL2096641,,1369650,NONE,0,Radioactive Agent,
CHEMBL2096642,CC(O)C(=O)O.Nc1cc(-c2ccncc2)c[nH]c1=O,1369651,MOL,0,,1984.0
CHEMBL2096646,Nc1ccc(C(=O)[O-])c(O)c1.O.O.[Na+],1369655,MOL,0,Antibacterial (tuberculostatic),1950.0
CHEMBL2096647,,1369656,NONE,0,,2004.0
CHEMBL2096648,N[13C](N)=O,1369657,MOL,0,,1996.0
CHEMBL2096650,O.O.O.O.O.O=S([O-])([O-])=S.[Na+].[Na+],1369659,MOL,0,Antidote (to cyanide poisoning),1992.0
CHEMBL2096651,,1369660,NONE,0,,1997.0
CHEMBL2096655,,1369664,NONE,0,Radioactive Agent; Diagnostic Aid (pernicious anemia),
CHEMBL2096656,,1369665,NONE,0,Radioactive Agent,
CHEMBL2096660,,1369669,NONE,0,Radioactive Agent; Antineoplastic,1997.0
CHEMBL2096895,Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cccc(Cl)c2)O1,1369879,MOL,0,,
CHEMBL2097081,,1370034,NONE,0,Antihypertensive,1981.0
CHEMBL209821,CC(=O)Nc1cccc(N2CCN(CCCCNS(=O)(=O)CC3CCCCC3)CC2)c1,347877,MOL,0,,
CHEMBL21,Nc1ccc(S(N)(=O)=O)cc1,1159,MOL,0,,1985.0
CHEMBL2103735,CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O.CC(=O)O,1376005,BOTH,0,,2000.0
CHEMBL2103736,CC(C(=O)[O-])c1cccc(Oc2ccccc2)c1.CC(C(=O)[O-])c1cccc(Oc2ccccc2)c1.O.O.[Ca+2],1376006,MOL,0,Anti-Inflammatory; Analgesic,1976.0
CHEMBL2103737,,1376007,NONE,0,Vitamin (hematopoietic),
CHEMBL2103738,O.O.O.O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Li+].[Li+].[Li+],1376008,MOL,0,Antimanic,1980.0
CHEMBL2103739,CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O,1376009,MOL,0,"Anti-Allergic; Antihistaminic, H1-Receptor; Asthma Prophylactic",1997.0
CHEMBL2103740,,1376010,NONE,0,,2008.0
CHEMBL2103741,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-].O.[Na+],1376011,MOL,0,Thyroid Hormone,2000.0
CHEMBL2103742,,1376012,NONE,0,Supplement (trace mineral),1987.0
CHEMBL2103743,C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12.O=C(O)CC(O)(CC(=O)O)C(=O)O,1376013,MOL,0,,2012.0
CHEMBL2103744,CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.O.O.O.O.O.O=S(=O)(O)O,1376014,MOL,0,Analgesic (narcotic),1984.0
CHEMBL2103745,N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2.O,1376015,MOL,0,,
CHEMBL2103749,CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)O,1376019,BOTH,0,Antithrombotic; Anticoagulant,2000.0
CHEMBL2103758,CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O,1376028,BOTH,0,Antidiabetic,2005.0
CHEMBL2103772,CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1,1376042,MOL,0,,
CHEMBL2103773,CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1.[Br-],1376043,MOL,0,,
CHEMBL2103774,C#C[C@]1(O)CC[C@H]2[C@H]3[C@H](CC[C@@]21C)C1=C(CC(=O)CC1)C[C@H]3C,1376044,MOL,0,Menopausal Symptoms Suppressant,
CHEMBL2103784,CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C)C(C)C,1376054,BOTH,0,Hormone (adrenocorticotropic),1970.0
CHEMBL2103792,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3CO)O2)c(=O)[nH]c1=O,1376062,MOL,0,,
CHEMBL2103793,Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP([O-])(=S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP([O-])(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP([O-])(=S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP([O-])(=S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP([O-])(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP([O-])(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP([O-])(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP([O-])(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP([O-])(=S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP([O-])(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP([O-])(=S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP([O-])(=S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP([O-])(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP([O-])(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP([O-])(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP([O-])(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP([O-])(=S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP([O-])(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP([O-])(=S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP([O-])(=S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP([O-])(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP([O-])(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3CO)O2)c(=O)[nH]c1=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],1376063,MOL,0,,
CHEMBL2103794,CN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1.Cl,1376064,MOL,0,,
CHEMBL2103795,CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[n-]2)cc1.[K+],1376065,MOL,0,,2011.0
CHEMBL2103798,COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1.O=C(O)/C=C\C(=O)O,1376068,MOL,0,,
CHEMBL2103800,,1376070,NONE,0,,
CHEMBL2103802,CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1.C[C@H](O)CO.O,1376072,MOL,0,,2014.0
CHEMBL2103811,Nc1nc(=O)c2c([nH]1)NCC1CN(c3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)CN21.[Ca+2],1376081,MOL,0,,
CHEMBL2103815,CC(=O)O.CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)C(C)C,1376085,BOTH,0,,
CHEMBL2103822,CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2,1376092,MOL,0,,2014.0
CHEMBL2103823,O=C([N-]S(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl.[Na+],1376093,MOL,0,,
CHEMBL2103827,N[C@H](C(=O)O)[C@H](O)c1ccc(O)c(O)c1,1376097,MOL,1,,2014.0
CHEMBL2103830,COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC,1376100,MOL,1,,2018.0
CHEMBL2103831,COc1ccc2cc([C@H](C)C(=O)OCCCCO[N+](=O)[O-])ccc2c1,1376101,MOL,0,,
CHEMBL2103832,CN1CCN(c2cccc3[nH]c(=O)oc23)CC1,1376102,MOL,0,,
CHEMBL2103836,CCC[C@@H](C)C[C@H](N)CC(=O)O,1376106,MOL,0,,
CHEMBL2103837,O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1,1376107,MOL,1,,2019.0
CHEMBL2103839,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OP(C)(C)=O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C,1376109,MOL,0,,
CHEMBL2103840,CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@H]3CCO)nc12,1376110,MOL,0,,
CHEMBL2103844,NCCNc1ccc(NCCN)c2c1C(=O)c1ccncc1C2=O.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O,1376114,MOL,0,,
CHEMBL2103846,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,1376116,MOL,0,,
CHEMBL2103849,CCCOc1ccc(S(=O)(=O)NCCC2CCCN2C)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1,1376119,MOL,0,,
CHEMBL2103854,CN(C)c1cc(CNCC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cc1ccc(S(=O)(=O)O)cc1,1376124,MOL,0,,2018.0
CHEMBL2103855,Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)n1,1376125,MOL,0,,
CHEMBL2103857,COc1ccc(F)cc1C[C@@](O)(C1CCOCC1)[C@@H]1CNCCO1,1376127,MOL,0,,
CHEMBL2103863,CN(C)Cc1c(C(=O)NCCOc2ccc(C(=O)NO)cc2)oc2ccccc12,1376133,MOL,0,,
CHEMBL2103867,CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC2=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)O,1376137,BOTH,0,,2017.0
CHEMBL2103868,COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC.O=C(O)C[C@H](O)C(=O)O,1376138,MOL,0,,2012.0
CHEMBL2103870,Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1,1376140,MOL,1,,2015.0
CHEMBL2103872,Cn1c(N)c(NC(=O)NCCN)c[n+]1CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC(C)(C)C(=O)[O-])c3nsc(N)n3)[C@H]2SC1,1376142,MOL,0,,2014.0
CHEMBL2103873,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1,1376143,MOL,0,,2010.0
CHEMBL2103875,CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1,1376145,MOL,0,,
CHEMBL2103876,Cc1ccc2c(NC[C@](O)(CC(C)(C)c3cc(F)cc4c3OCC4)C(F)(F)F)cccc2n1,1376146,MOL,0,,
CHEMBL2103877,C=C1CCN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1,1376147,MOL,0,,2014.0
CHEMBL2103879,CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O,1376149,MOL,0,,
CHEMBL2103881,CN[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C,1376151,MOL,0,,
CHEMBL2103882,O=C1NC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12,1376152,MOL,0,,
CHEMBL2103883,O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1,1376153,MOL,0,,2018.0
CHEMBL2103920,CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)O)CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O,1376190,BOTH,0,,
CHEMBL2103929,CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC[C@H](N)C(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12,1376199,MOL,0,,
CHEMBL2103975,CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O,1376245,BOTH,0,Antineoplastic,
CHEMBL2103979,CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O,1376249,BOTH,0,Hepatitis Treatment; Antineoplastic; Infectious Disease Treatment; Vaccine Enhancement,
CHEMBL2103991,Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccccc2c1=O,1376261,MOL,0,,
CHEMBL2104038,CC(C)OC(=O)OC1CCCCC1,1376308,MOL,0,,
CHEMBL2104045,CCOCCOC(=O)/C=C/c1ccc(OC)cc1,1376315,MOL,0,Ultraviolet Screen,
CHEMBL2104095,C[N+](C)(C)CCO.O=C([O-])c1ccccc1O,1376365,MOL,0,,
CHEMBL2104118,,1376388,NONE,0,Diagnostic Aid (pernicious anemia); Radioactive Agent,
CHEMBL2104136,CN(C)CCCC1c2ccccc2Nc2ccc(Cl)cc21.O=P(O)(O)O,1376406,MOL,0,Antipsychotic,
CHEMBL2104251,C=C(C#N)C(=O)OCCCC,1376521,MOL,0,,
CHEMBL2104287,CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21.Cl,1376557,MOL,0,Antidepressant,
CHEMBL2104318,O=S(=O)([O-])CCSSCCS(=O)(=O)[O-].[Na+].[Na+],1376588,MOL,0,,
CHEMBL2104356,CC1=CC(=O)N2CC(=O)N(C)c3ccc(Cl)cc3C2(c2ccccc2)O1,1376626,MOL,0,Tranquilizer (minor),
CHEMBL2104381,,1376651,NONE,0,,
CHEMBL2104386,CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O,1376656,BOTH,0,,
CHEMBL2104391,CCCCCCCCCCCCCC(=O)NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc3ccccc3)C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2)[C@@H](C)O)C(=O)O,1376661,MOL,0,,2005.0
CHEMBL2104397,O=[Ca],1376667,MOL,0,"Carbon Dioxide Absorbant,Pharmaceutic Necessity",
CHEMBL2104398,OCC(O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,1376668,MOL,0,,
CHEMBL2104414,CCc1c(CC)c2cc3nc(cnc4cc(OCCOCCOCCOC)c(OCCOCCOCCOC)cc4ncc4nc(cc1[nH]2)C(CCCO)=C4C)C(C)=C3CCCO,1376684,MOL,0,,
CHEMBL2104415,CO/N=C1\C[C@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C,1376685,MOL,0,Antiparasitic (veterinary),2018.0
CHEMBL2104445,CCOc1c(N)c2c(c(OCC)c1OCC)C(C1c3c(cc4c(c3OC)OCO4)CCN1C)OC2=O,1376715,MOL,0,,
CHEMBL2104489,CC(=O)O[C@]1(C(C)=O)CCC2[C@@H]3C[C@H](C)C4=CCCC[C@]4(C)[C@H]3CC[C@@]21C,1376759,MOL,0,Progestin,
CHEMBL2104496,Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.O=[N+]([O-])[O-],1376766,MOL,0,Vitamin (enzyme co-factor),
CHEMBL2104514,N=C(N)NCCC[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O,1376784,MOL,0,Ammonia Detoxicant,
CHEMBL2104523,CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCN(CC2CC=CCC2)CC1,1376793,MOL,0,,
CHEMBL2104537,COc1cc(C(=O)OC(COCCC(C)C)CN2CCOCC2)cc(OC)c1OC,1376807,MOL,0,,
CHEMBL2104574,CCCCC[C@H](O)/C=C/[C@@H]1C(CCCCCCC(=O)OCCCC)=C(OC(=O)CCC)C[C@H]1O,1376844,MOL,0,,
CHEMBL2104585,CC(C)c1cc2c(cc1S(=O)(=O)O)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1CC2,1376855,MOL,0,,
CHEMBL2104594,O.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.[Ca+2],1376864,MOL,0,Replenisher (calcium),
CHEMBL2104607,CCN(CC)C(=O)c1cccnc1,1376877,MOL,0,,
CHEMBL2104612,O[C@H](CBr)[C@H](O)[C@H](O)[C@@H](O)CBr,1376882,MOL,0,,
CHEMBL2104613,CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCO)cc1,1376883,MOL,0,Pharmaceutic Aid (surfactant),
CHEMBL2104688,CCCN(CCC)C(=O)C(Cc1ccc(OCCN(CC)CC)cc1)NC(=O)c1ccccc1,1376958,MOL,0,,
CHEMBL2104734,CC(CN(C)C)CN1c2ccccc2S(=O)(=O)c2ccccc21,1377004,MOL,0,,
CHEMBL2104753,COc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2c1,1377023,MOL,0,,
CHEMBL2104765,C[C@H](O)C(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C,1377035,MOL,0,Progestin,
CHEMBL2104771,Cl.Cn1c(=O)c2c(ncn2CCCNCC(O)c2cc(O)cc(O)c2)n(C)c1=O,1377041,MOL,0,Bronchodilator,
CHEMBL2104786,CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO,1377056,MOL,0,,
CHEMBL2104793,CCCC(C(=O)c1ccc(C)cc1)N1CCCC1.Cl,1377063,MOL,0,Stimulant (central),
CHEMBL2104973,COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2.Cl,1377243,MOL,0,,
CHEMBL2104979,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,1377249,MOL,0,,
CHEMBL2104987,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC,1377257,BOTH,1,,2012.0
CHEMBL2104993,Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1,1377263,MOL,1,,2013.0
CHEMBL2105002,CC(CC(C#N)(c1ccccc1)C(C)C)N(C)C,1377272,MOL,0,,
CHEMBL2105006,Ic1[nH]c(I)c(I)c1I,1377276,MOL,0,,
CHEMBL2105019,CC(C)(C)c1ccc(CCC(O)COc2ccc(C(=O)O)cc2)cc1,1377289,MOL,0,Hypocholesterolemic,
CHEMBL2105085,CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(=O)OC/C=C(\C)CCC=C(C)C,1377355,MOL,0,,
CHEMBL2105131,CN(CC1(C)CCCO1)S(=O)(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,1377401,MOL,0,Diuretic,
CHEMBL2105161,CCCCOCCOC(=O)c1cccnc1,1377431,MOL,0,,
CHEMBL2105224,CN1CC[C@]23c4c5ccc(OCCN6CCOCC6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,1377494,MOL,0,,
CHEMBL2105233,C=CCC1(CC(C)O)C(=O)NC(=O)NC1=O,1377503,MOL,0,,
CHEMBL2105248,O=C([O-])[C@H](O)[C@@H](O)C(=O)O.[K+],1377518,MOL,0,,2020.0
CHEMBL2105294,COc1ccc2[n-]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Na+],1377564,MOL,0,Antisecretory (gastric),
CHEMBL2105345,CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1,1377615,MOL,0,Anesthetic (intravenous),
CHEMBL2105348,CO[C@H]1O[C@H](CNC(=O)N(CCCl)N=O)[C@@H](O)[C@H](O)[C@H]1O,1377618,MOL,0,,
CHEMBL2105373,CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C,1377643,MOL,0,Non-Hormonal Sterol Derivative,
CHEMBL2105394,CCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC)CC[C@@H]12,1377664,MOL,0,,
CHEMBL2105395,OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1,1377665,MOL,0,,2013.0
CHEMBL2105420,O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1,1377690,MOL,0,,
CHEMBL2105458,CN1CCC(N(Cc2cccs2)c2ccccc2)CC1,1377728,MOL,0,,
CHEMBL2105487,[S],1377757,MOL,0,Scabicide,
CHEMBL2105527,CN1C(=O)CN=C(C2=CCCCC2)c2cc(Cl)ccc21,1377797,MOL,0,,
CHEMBL2105561,CN1CCN(C(=O)OC2C3=C(SCCS3)C(=O)N2c2ccc3ccc(Cl)nc3n2)CC1,1377831,MOL,0,,
CHEMBL2105581,C=CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)cc(OC)c1OC,1377851,MOL,0,,1979.0
CHEMBL2105611,C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@@H](O)C(C)C)C[C@@H](O)C[C@@H]1O,1377881,MOL,0,,
CHEMBL2105612,CCC(Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12,1377882,MOL,0,,
CHEMBL2105613,CCCC(CCC)C(=O)O.CCCC(CCC)C(=O)[O-].[Na+],1377883,MOL,0,Anticonvulsant,1983.0
CHEMBL2105614,CC1(O)CCC(C(C)(C)O)CC1.O,1377884,MOL,0,Expectorant,
CHEMBL2105617,CCC1C2CC3C4N(C)c5ccccc5C45CC(C2[C@H]5O)N3C1O,1377887,MOL,0,,
CHEMBL2105618,C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCCC4[C@H]3CC[C@@]21C,1377888,MOL,0,,
CHEMBL2105637,Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(O)C4)c(Cl)c32)c(F)cc1F,1377907,MOL,0,,2017.0
CHEMBL2105638,CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(O)C4)c(Cl)c32)c(F)cc1F,1377908,MOL,0,,2017.0
CHEMBL2105639,CC[C@H](C)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C,1377909,BOTH,0,,
CHEMBL2105646,CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)C(C)C,1377916,BOTH,0,,
CHEMBL2105648,CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(/C=C/c3ccc(C(=O)O)cc3)cc21,1377918,MOL,0,,
CHEMBL2105656,CCO.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c([O-])nc3ncccc32)CC1.[K+],1377926,MOL,0,,
CHEMBL2105659,CCc1c(C(=O)C(N)=O)c2c(OCC(=O)OC)cccc2n1Cc1ccccc1,1377929,MOL,0,,
CHEMBL2105662,CS(=O)(=O)O.O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1,1377932,MOL,0,,2012.0
CHEMBL2105664,CC(OC(=O)c1ccc(Cc2c(O)c3ccccc3oc2=O)cc1)(C(F)(F)F)C(F)(F)F,1377934,MOL,0,,
CHEMBL2105665,CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O,1377935,MOL,0,,
CHEMBL2105669,Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COP(=O)(O)O)OC4=O)cc3F)cn2)n1,1377939,MOL,0,,2014.0
CHEMBL2105675,CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1,1377945,MOL,1,,2019.0
CHEMBL2105680,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c([O-])c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.[Na+],1377950,MOL,0,,2018.0
CHEMBL2105681,CCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2C#N)c(=O)n1,1377951,MOL,0,,
CHEMBL2105682,CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1.Cc1ccc(S(=O)(=O)O)cc1,1377952,MOL,0,,2015.0
CHEMBL2105684,Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21.O=S(=O)(O)O,1377954,MOL,1,,2020.0
CHEMBL2105689,N#C/C(=C1/SC[C@@H](c2ccc(Cl)cc2Cl)S1)n1ccnc1,1377959,MOL,0,,2013.0
CHEMBL2105694,COCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,1377964,MOL,0,,
CHEMBL2105695,CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1,1377965,MOL,1,,2017.0
CHEMBL2105700,COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12.O=C(O)/C=C/C(=O)O,1377970,MOL,0,,2012.0
CHEMBL2105704,COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O.CS(=O)(=O)O,1377974,MOL,0,,2015.0
CHEMBL2105708,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12.Cl,1377978,MOL,0,,2012.0
CHEMBL2105709,CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1.Cl.Cl,1377979,MOL,0,,
CHEMBL2105711,CCc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1.O,1377981,MOL,0,,
CHEMBL2105712,CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O,1377982,MOL,0,,2013.0
CHEMBL2105717,COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC,1377987,MOL,1,,2012.0
CHEMBL2105719,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1.O,1377989,MOL,0,,2018.0
CHEMBL2105720,O=C(O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12,1377990,MOL,0,,2015.0
CHEMBL2105722,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,1377992,MOL,0,,
CHEMBL2105728,CC1(COc2ccc3c(c2)ncn3-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1,1377998,MOL,0,,
CHEMBL2105729,CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1.CS(=O)(=O)O,1377999,MOL,0,,2013.0
CHEMBL2105732,CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN.Cl,1378002,MOL,0,,2013.0
CHEMBL2105735,C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2ncc(OC)c3ccc(Cl)cc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1,1378005,MOL,0,,
CHEMBL2105737,Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1,1378007,MOL,0,,2015.0
CHEMBL2105738,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1cnc2ccccc21,1378008,MOL,0,,
CHEMBL2105740,Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)[N-]c1onc(C)c1Cl)OCO2.[Na+],1378010,MOL,0,,2006.0
CHEMBL2105741,CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1.C[S+](C)[O-],1378011,MOL,1,,2013.0
CHEMBL2105743,COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1.Cl,1378013,MOL,0,,2014.0
CHEMBL2105745,O=C(CCCc1ccccc1)OCC(COC(=O)CCCc1ccccc1)OC(=O)CCCc1ccccc1,1378015,MOL,0,,2013.0
CHEMBL2105747,COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12,1378017,MOL,0,,
CHEMBL2105748,COCCCN1CCC(NC(=O)c2cc(Cl)c(N)c3c2OCC3)CC1.O=C(O)CCC(=O)O,1378018,MOL,0,,2018.0
CHEMBL2105753,CN[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C.Cl,1378023,MOL,0,,
CHEMBL2105754,Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2C#N)c1=O.O=C(O)CCC(=O)O,1378024,MOL,0,,
CHEMBL2105755,CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)c1nc(-c2ccccc2)no1,1378025,MOL,0,,2017.0
CHEMBL2105756,COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC.Cl.O,1378026,MOL,0,,2021.0
CHEMBL2105758,O=C(Nc1nc(-c2cc(Cl)cs2)c(N2CCN(C3CCCCC3)CC2)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1.O=C(O)/C=C\C(=O)O,1378028,MOL,0,,2018.0
CHEMBL2105759,CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4[nH]ccc34)cn2)C1,1378029,MOL,0,,2018.0
CHEMBL2105760,O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1,1378030,MOL,0,,2015.0
CHEMBL2105762,CS(=O)(=O)n1cc2c(n1)CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2,1378032,MOL,0,,
CHEMBL2105774,CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,1378044,MOL,0,,
CHEMBL2105834,C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,1378104,MOL,0,Antineoplastic,
CHEMBL2105842,CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3C=C(C)C4=Cc5c(cnn5-c5ccccc5)C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C,1378112,MOL,0,Glucocorticoid,
CHEMBL2105862,CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N2.Cl,1378132,BOTH,0,,
CHEMBL2105891,CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.O=S(=O)(O)O,1378161,MOL,0,Cholinergic (ophthalmic),
CHEMBL2105897,O=S(=O)([O-])[O-].[Ba+2],1378167,MOL,0,Diagnostic Aid (radiopaque medium),2016.0
CHEMBL2105904,CCC1(CC)C(=O)[N-]C(=O)NC1=O.[Na+],1378174,MOL,0,,
CHEMBL2105935,C[N+](C)(C)CCO.O=C([O-])C(O)C(O)C(=O)O,1378205,MOL,0,,
CHEMBL2105941,CCC1(CCC(C)C)C(=O)N=C([O-])NC1=O.[Na+],1378211,MOL,0,Sedative-Hypnotic,
CHEMBL2105945,CC(=O)N[C@H]([C@@H](O)CC(=O)C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO,1378215,MOL,0,,
CHEMBL2105950,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)[O-].[Na+],1378220,MOL,0,,
CHEMBL2105970,N.O=C(O)c1ccccc1,1378240,MOL,0,,
CHEMBL2105972,CC[N+](C)(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1.[Br-],1378242,MOL,0,,
CHEMBL2105977,C[N+]1(CC2CC2)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21.[Br-],1378247,MOL,0,,
CHEMBL2105980,CN(C)CCOC(C)(c1ccccc1)c1ccc(Cl)cc1.Cl,1378250,MOL,0,,
CHEMBL2105987,CC1=CC(=O)C=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]12C,1378257,MOL,0,,
CHEMBL2105996,CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccccc3)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+],1378266,MOL,0,Antibacterial,
CHEMBL2106049,[C],1378319,MOL,0,Pharmaceutic Aid (adsorbant); Antidote (general purpose),
CHEMBL2106065,CCN(CC)CCCNCc1cc(Cl)c2cccnc2c1O.Cl,1378335,MOL,0,Anti-Amebic,
CHEMBL2106068,CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1.Cl,1378338,MOL,0,,
CHEMBL2106076,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CS[C@H]12)c1csc(N)n1.O=S(=O)(O)O,1378346,MOL,0,Antibacterial,
CHEMBL2106111,CC(O)C(=O)[O-].CC(O)C(=O)[O-].[Ca+2],1378381,MOL,0,Replenisher (calcium),
CHEMBL2106119,O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Ca+2],1378389,MOL,0,Replenisher (calcium),2017.0
CHEMBL2106122,CC[N+](C)(C)C(C)CC(c1ccccc1)c1ccccc1.[Br-],1378392,MOL,0,,
CHEMBL2106123,O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Ca+2].[Ca+2].[Ca+2],1378393,MOL,0,Supplement (calcium),
CHEMBL2106155,COc1ccc(C(=O)Nc2ccccc2CCC2CCCCN2C)cc1.Cl,1378425,MOL,0,Cardiac Depressant (anti-arrhythmic),1986.0
CHEMBL2106191,O=S(=O)([O-])c1cc(O)ccc1O.O=S(=O)([O-])c1cc(O)ccc1O.[Ca+2],1378461,MOL,0,,
CHEMBL2106195,Cc1cccc([C@H](C)c2c[nH]cn2)c1C.Cl,1378465,MOL,0,,1999.0
CHEMBL2106198,CC(=O)O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1,1378468,MOL,0,Gonad-Stimulating Principle,
CHEMBL2106217,CCNC(C)Cc1cccc(C(F)(F)F)c1.Cl,1378487,MOL,0,Anorexic,2020.0
CHEMBL2106227,CCNC1=Nc2ccc(Cl)cc2C(C)(c2ccccc2)O1,1378497,MOL,0,,
CHEMBL2106313,CC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.[Cl-],1378583,MOL,0,,
CHEMBL2106318,CNC(=O)c1c(I)c(NC(C)=O)c([125I])c(C(=O)[O-])c1[125I].[Na+],1378588,MOL,0,Radioactive Agent,
CHEMBL2106323,O.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,1378593,MOL,0,Pharmaceutic Aid (tablet and capsule diluent),
CHEMBL2106370,COc1ccnc(C[S+]([O-])c2nc3cc(-n4cccc4)ccc3[nH]2)c1C,1378640,MOL,0,,
CHEMBL2106388,[Ca+2].[OH-].[OH-],1378658,MOL,0,Astringent,
CHEMBL2106419,COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1.Cl,1378689,MOL,0,,
CHEMBL2106424,C=C(C#N)C(=O)OC,1378694,MOL,0,Surgical Aid (tissue adhesive),
CHEMBL2106439,CCCCCCCCCCCCCCCC(=O)OCCC1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1,1378709,MOL,0,Antipsychotic,
CHEMBL2106441,CNC(=S)NCO,1378711,MOL,0,,
CHEMBL2106483,CCOc1ccccc1OCC1CNCCO1.Cl,1378753,MOL,0,Antidepressant,2021.0
CHEMBL2106489,[15OH2],1378759,MOL,0,"Diagnostic Aid (radioactive, vascular disorders); Radioactive Agent",
CHEMBL210651,Nc1ccn([C@H]2CO[C@@H](CO)S2)c(=O)n1,349723,MOL,0,,
CHEMBL2106556,CCC1(C2=CCCCC2)C(=O)[N-]C(=O)NC1=O.CCC1(C2=CCCCC2)C(=O)[N-]C(=O)NC1=O.[Ca+2],1378826,MOL,0,,
CHEMBL2106574,CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1.Cl,1378844,MOL,0,Antidepressant,
CHEMBL2106613,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C,1378883,MOL,0,,
CHEMBL2106615,CC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,1378885,MOL,0,,2009.0
CHEMBL2106627,CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314.Cl,1378897,MOL,0,,
CHEMBL2106636,CCCCNCC(O)c1ccc(O)cc1.CCCCNCC(O)c1ccc(O)cc1.O=S(=O)(O)O,1378906,MOL,0,Vasodilator,
CHEMBL2106638,CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1.Cl,1378908,MOL,0,Antidepressant,
CHEMBL2106640,,1378910,NONE,0,Radioactive Agent,1973.0
CHEMBL2106643,COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)[O-])C(=O)OC2.[Na+],1378913,MOL,0,,
CHEMBL2106660,C1CNCCN1.Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O,1378930,MOL,0,,
CHEMBL2106678,CCN(C)C(C)C(O)c1ccccc1.Cl,1378948,MOL,0,Adrenergic,
CHEMBL2106739,COS(=O)(=O)[O-].C[N+]1(C)CCCC1COC(=O)C(O)(c1ccccc1)c1ccccc1,1379009,MOL,0,Anticholinergic,
CHEMBL2106794,NC(=O)N/N=C1\C=Cc2ccccc2C1=O,1379064,MOL,0,,
CHEMBL2106798,CC1(C)CC(C)(C)CC(C)(N)C1.CS(=O)(=O)O,1379068,MOL,0,,
CHEMBL2106825,CC(=O)[C@@]1(C)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,1379095,MOL,0,Progestin,
CHEMBL2106829,Cc1ccccc1-n1c(C)nc2ccccc2c1=O.Cl,1379099,MOL,0,,
CHEMBL2106915,COc1cc2c(cc1OC)C(CCc1ccc(Cl)cc1)N(C)CC2,1379185,MOL,0,Analgesic,
CHEMBL2106922,Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2.O=C(O)/C=C\C(=O)O,1379192,MOL,0,Anesthetic (intravenous),
CHEMBL2106939,CCCCCCNC(=N)NC(=N)N,1379209,MOL,0,,
CHEMBL2106975,O=C([O-])O.[K+],1379245,MOL,0,Pharmaceutic Necessity,
CHEMBL2106978,O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[K+],1379248,MOL,0,Replenisher (electrolyte),
CHEMBL2106988,CC(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@H]2SC1(C)C,1379258,MOL,0,Antibacterial,
CHEMBL2107004,C[C@]12CC[C@@H]3c4ccc(OC5CCCC5)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O,1379274,MOL,0,,
CHEMBL2107011,COc1cc2[nH]c(C)c(CCN3CCN(c4ccccc4)CC3)c2cc1OC,1379281,MOL,0,Antidepressant,
CHEMBL2107014,O=C(Oc1ccc2c(c1)CCCN2C(=O)C(Cl)Cl)c1ccco1,1379284,MOL,0,Anti-Amebic,
CHEMBL2107062,CCC(C(=O)NC(N)=O)c1ccccc1,1379332,MOL,0,,
CHEMBL2107067,CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,1379337,MOL,0,,2014.0
CHEMBL2107074,,1379344,NONE,0,Radioactive Agent,1988.0
CHEMBL2107124,CN(C)CCCN1c2ccccc2Sc2cccnc21.Cl,1379394,MOL,0,,
CHEMBL2107143,O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,1379413,MOL,0,,
CHEMBL2107168,O.O.O.O.O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].[K+].[Na+],1379438,MOL,0,Laxative,
CHEMBL2107175,N#Cc1c(N(CC(=O)O)CC(=O)O)sc(C(=O)O)c1CC(=O)O,1379445,MOL,0,,
CHEMBL2107212,CN(CC(O)CO)C(=O)c1c(I)c(NC(=O)C(CO)CO)c(I)c(C(=O)N(C)CC(O)CO)c1I,1379482,MOL,0,,
CHEMBL2107213,CN1CCC2=C(C1)C(c1ccccc1)c1ccccc12.O=C(O)C(O)C(O)C(=O)O,1379483,MOL,0,,
CHEMBL2107214,CN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I,1379484,MOL,0,Diagnostic Aid (radiopaque medium),
CHEMBL2107253,COc1cc([N-]S(=O)(=O)c2ccc(N)cc2)nc(OC)n1.[Na+],1379523,MOL,0,,
CHEMBL2107297,Br.CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc1ccccc1,1379567,MOL,0,,
CHEMBL2107308,COc1cc(O)c(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1OC.Cl.O.O.O,1379578,MOL,0,,
CHEMBL2107312,CC(C)C(=O)O[C@@H](OC(=O)NC[C@H](CC(=O)O)c1ccc(Cl)cc1)C(C)C,1379582,MOL,0,,
CHEMBL2107313,CCN(CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4n([C@@H]4O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]4O)c3c3[nH]c4c(Cl)cccc4c23)C1=O,1379583,MOL,0,,
CHEMBL2107319,Cl.N[C@@H](CCC(=O)N[C@@H](CS(=O)(=O)CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)C(=O)N[C@@H](C(=O)O)c1ccccc1)C(=O)O,1379589,MOL,0,,
CHEMBL2107324,CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CO)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(N)=O,1379594,BOTH,0,,
CHEMBL2107333,COC(=O)/C=C/C(=O)OC,1379603,MOL,1,,2013.0
CHEMBL2107334,CC(C)(C)[N+]([O-])=Cc1ccc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-].[Na+].[Na+],1379604,MOL,0,,
CHEMBL2107337,Cl.Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21,1379607,MOL,0,,
CHEMBL2107338,O=S(=O)([O-])CCCS(=O)(=O)[O-].[Na+].[Na+],1379608,MOL,0,,
CHEMBL2107339,CN1CCN2c3ncccc3Cc3ccccc3[C@H]2C1.O=C(O)/C=C\C(=O)O,1379609,MOL,0,,
CHEMBL2107349,C[C@H](CN(C(=O)c1ccc(C#N)cc1)c1ccccn1)N1CCN(c2cccc3c2OCCO3)CC1.Cl,1379619,MOL,0,,
CHEMBL2107354,CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)[C@H](C)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(O)[C@@H]1NC(C)=O)C(N)=O)OC(=O)CCCCCCCCCCCCCCC.O.[Na+],1379624,MOL,0,,
CHEMBL2107355,Cl.OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O,1379625,MOL,1,,2018.0
CHEMBL2107357,CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21.O=P(O)(O)O.O=P(O)(O)O,1379627,MOL,0,,
CHEMBL2107358,COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\c1[nH]c(C)cc1C.CS(=O)(=O)O,1379628,MOL,0,,
CHEMBL2107359,CONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)cc3)o2)cc1.O=C(O)/C=C\C(=O)O,1379629,MOL,0,,
CHEMBL2107360,CCCCCCCCCCCCCCCC(=O)OC1CCCn2c1nc(C)c(CCN1CCC(c3noc4cc(F)ccc34)CC1)c2=O,1379630,MOL,0,,2009.0
CHEMBL2107374,O=C([O-])CCSC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CSCCC(=O)[O-])O[C@H](O[C@@H]4[C@@H](CSCCC(=O)[O-])O[C@H](O[C@@H]5[C@@H](CSCCC(=O)[O-])O[C@H](O[C@@H]6[C@@H](CSCCC(=O)[O-])O[C@H](O[C@@H]7[C@@H](CSCCC(=O)[O-])O[C@H](O[C@@H]8[C@@H](CSCCC(=O)[O-])O[C@H](O[C@@H]9[C@@H](CSCCC(=O)[O-])O[C@H](O[C@H]1[C@H](O)C2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],1379644,MOL,1,,2015.0
CHEMBL2107375,Cl.N=C(N)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1,1379645,MOL,0,,
CHEMBL2107378,C1CCC2(C1)[C@H]1CN(CC3CC3)C[C@@H]2CN(CC2CC2)C1.C1CCC2(C1)[C@H]1CN(CC3CC3)C[C@@H]2CN(CC2CC2)C1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O,1379648,MOL,0,,
CHEMBL2107381,CC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,1379651,MOL,1,,2015.0
CHEMBL2107383,COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC.Cl,1379653,MOL,0,,
CHEMBL2107384,COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C.O=C(O)/C=C\C(=O)O,1379654,MOL,0,,
CHEMBL2107386,CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1.O=S(=O)(O)O,1379656,MOL,1,,2014.0
CHEMBL2107387,Br.Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1,1379657,MOL,1,,2013.0
CHEMBL2107389,CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,1379659,MOL,0,Progestin,
CHEMBL2107430,Fc1ccc(C(c2ccccc2)(c2ccccc2F)n2ccnc2)cc1,1379700,MOL,0,,
CHEMBL2107431,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C,1379701,MOL,0,Progestin,
CHEMBL2107455,CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1,1379725,MOL,0,,
CHEMBL2107456,CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC/C=C/C(=O)O,1379726,MOL,0,,
CHEMBL2107457,COc1ccc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc1OC,1379727,MOL,0,,
CHEMBL2107480,,1379750,NONE,0,Diagnostic Aid; Radioactive Agent,1982.0
CHEMBL2107486,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(SC3CN(C4=NCCS4)C3)[C@H](C)[C@H]12,1379756,MOL,0,,
CHEMBL2107488,,1379758,NONE,0,Radioactive Agent; Diagnostic Aid (renal function determination),1990.0
CHEMBL2107495,CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1.Cl,1379765,MOL,0,Antibacterial (microbial DNA topoisomerase inhibitor),1992.0
CHEMBL2107525,O=[32P]([O-])([O-])O.[Na+].[Na+],1379795,MOL,0,Diagnostic Aid (neoplasm); Antineoplastic; Radioactive Agent; Antipolycythemic,1957.0
CHEMBL2107560,O.O.O=P([O-])([O-])O.[Na+].[Na+],1379830,MOL,0,Laxative,1983.0
CHEMBL2107567,O=P([O-])([O-])O.[Ca+2],1379837,MOL,0,,
CHEMBL2107606,CCC(=O)C(CC(C)N1CCCCC1)(c1ccccc1)c1ccccc1.Cl,1379876,MOL,0,,
CHEMBL2107679,CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.c1ccc(CCNCc2ccccc2)cc1,1379949,MOL,0,,
CHEMBL2107703,Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1.O=[N+]([O-])O,1379973,MOL,0,Antifungal,
CHEMBL2107723,COc1cc(O)c(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1OC,1379993,MOL,0,,
CHEMBL2107726,[O-][n+]1cccc(/C(Cl)=N/OC[C@H](O)CN2CCCCC2)c1,1379996,MOL,0,,
CHEMBL2107751,C[C@H](CCC(=O)N[C@@H](CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,1380021,MOL,0,,
CHEMBL2107771,C[C@H](NCc1ccc(OCc2ccccc2F)cc1)C(N)=O,1380041,MOL,0,,
CHEMBL2107773,Cc1cc(OCC(=O)O)c(C)cc1CCN[C@@H](C)[C@H](O)c1ccc(O)cc1,1380043,MOL,0,,
CHEMBL2107777,CCOc1ccc2c(c1)[C@]1(CC[C@H](CCN3CCOCC3)CC1)C(=O)N2S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1OC,1380047,MOL,0,,
CHEMBL2107784,COc1cccc2c1c(O)c(C(=O)N(C)c1ccc(C(F)(F)F)cc1)c(=O)n2C,1380054,MOL,0,,
CHEMBL2107786,Cc1ccc2c(c1CCC(=O)O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C2,1380056,MOL,0,,
CHEMBL2107787,CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN(C)C)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ncccc4F)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C,1380057,MOL,0,,
CHEMBL2107797,C#CC1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC,1380067,MOL,0,Progestin,1968.0
CHEMBL2107798,C[N+](C)(C)CCOP(=O)([O-])OCC(COC=O)OC=O,1380068,MOL,0,,
CHEMBL2107806,C=Cc1c(C)c2cc3nc(c(CC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CC)c(C)c4C(=O)[O-])[C@@H](CCC(=O)[O-])[C@@H]3C.[Na+].[Na+].[Na+].[Na+],1380076,MOL,0,,
CHEMBL2107811,CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC12CNC2,1380081,MOL,0,,
CHEMBL2107815,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O.OCCNCCO,1380085,MOL,0,,2013.0
CHEMBL2107816,[223Ra+2].[Cl-].[Cl-],1380086,MOL,0,,2013.0
CHEMBL2107817,NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)[O-].[Na+],1380087,MOL,0,,2015.0
CHEMBL2107818,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)CCCCCN1C(=O)C=CC1=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,1380088,MOL,0,,
CHEMBL2107821,NCC[C@@H](O)c1cccc(OCC2CCCCC2)c1,1380091,MOL,0,,
CHEMBL2107825,CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1,1380095,MOL,0,,2015.0
CHEMBL2107826,O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2nccc(=O)n21,1380096,MOL,0,,2020.0
CHEMBL2107830,OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O,1380100,MOL,0,,2014.0
CHEMBL2107831,CCCCCCO[C@@H](C)c1cccc(-c2csc(NC(=O)c3cc(Cl)c(/C=C(\C)C(=O)O)c(Cl)c3)n2)c1OC,1380101,MOL,0,,2018.0
CHEMBL2107834,COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N,1380104,MOL,1,,2013.0
CHEMBL2107840,,1380106,NONE,0,,2015.0
CHEMBL2107841,,1380107,NONE,0,,2014.0
CHEMBL2107842,,1380108,NONE,0,,
CHEMBL2107843,,1380109,NONE,0,,
CHEMBL2107856,,1380122,NONE,0,,
CHEMBL2107857,,1380123,NONE,1,,2014.0
CHEMBL2107860,,1380126,NONE,0,,
CHEMBL2107861,,1380127,SEQ,0,,
CHEMBL2107862,,1380128,NONE,0,,
CHEMBL2107863,,1380129,NONE,0,,
CHEMBL2107865,,1380131,NONE,0,,
CHEMBL2107866,,1380132,NONE,0,,
CHEMBL2107869,,1380135,NONE,0,,2015.0
CHEMBL2107870,,1380136,NONE,0,,
CHEMBL2107873,,1380139,NONE,0,,
CHEMBL2107874,,1380140,SEQ,1,,2019.0
CHEMBL2107875,,1380141,NONE,0,,
CHEMBL2107876,,1380142,NONE,0,,
CHEMBL2107877,,1380143,SEQ,0,,
CHEMBL2107881,,1380147,NONE,0,Hematopoietic Stimulant; Antineutropenic,
CHEMBL2107882,,1380148,NONE,0,,
CHEMBL2107884,,1380150,SEQ,0,,2016.0
CHEMBL2107885,,1380151,NONE,0,Myocardial Infarction Therapy; Plasminogen Activator,1996.0
CHEMBL2107886,,1380152,NONE,0,,
CHEMBL2107891,,1380157,NONE,0,,
CHEMBL2107902,,1380168,NONE,0,,2004.0
CHEMBL2107909,,1380175,NONE,0,Immunizing Agent (active),
CHEMBL2107910,,1380176,NONE,0,Pharmaceutic Aid,2013.0
CHEMBL2107911,,1380177,SEQ,0,,
CHEMBL2107914,,1380180,NONE,0,,
CHEMBL2107915,,1380181,NONE,0,,
CHEMBL2107917,,1380183,SEQ,0,,
CHEMBL2107931,,1380197,NONE,0,,
CHEMBL2107935,,1380201,NONE,0,,
CHEMBL2107943,,1380209,NONE,0,,1974.0
CHEMBL2107948,,1380214,NONE,0,,
CHEMBL2107951,,1380217,NONE,0,Pharmaceutic Aid (tablet binder); Pharmaceutic Aid (tablet and capsule diluent); Pharmaceutic Aid (viscosity-increasing agent); Pharmaceutic Aid (coating agent),
CHEMBL2107962,,1380228,NONE,0,Immunizing Agent (active),
CHEMBL2107968,,1380234,NONE,0,"Surgical Aid (surgical suture material, absorbable)",
CHEMBL2107979,,1380245,SEQ,0,,
CHEMBL2107991,,1380257,NONE,0,,
CHEMBL2107994,,1380260,NONE,0,,
CHEMBL2108015,,1380281,NONE,0,,
CHEMBL2108021,,1380287,SEQ,0,,
CHEMBL2108027,,1380293,NONE,0,,2014.0
CHEMBL2108028,,1380294,NONE,0,,
CHEMBL2108035,,1380301,NONE,0,,2010.0
CHEMBL2108041,,1380307,SEQ,1,,2017.0
CHEMBL2108046,,1380312,NONE,0,,
CHEMBL2108054,,1380320,NONE,0,,
CHEMBL2108060,,1380326,NONE,0,,
CHEMBL2108061,,1380327,SEQ,0,,
CHEMBL2108063,,1380329,SEQ,0,,
CHEMBL2108064,,1380330,NONE,0,,
CHEMBL2108073,,1380339,NONE,0,Enzyme (digestant adjunct),
CHEMBL2108074,,1380340,NONE,0,Enzyme (digestant adjunct),1996.0
CHEMBL2108076,,1380342,NONE,0,Pharmaceutic Aid (stiffening agent),
CHEMBL2108078,,1380344,NONE,0,,2015.0
CHEMBL2108080,,1380346,NONE,0,,
CHEMBL2108081,,1380347,NONE,0,Fibroblast Growth Factor; Stroke Treatment,
CHEMBL2108086,,1380352,NONE,0,,
CHEMBL2108101,,1380367,NONE,0,,
CHEMBL2108102,,1380368,NONE,0,,
CHEMBL2108106,,1380372,NONE,0,Vitamin E Supplement,
CHEMBL2108108,,1380374,NONE,0,Contact Lens Material (hydrophilic),
CHEMBL2108110,,1380376,NONE,0,Hemostatic (local),
CHEMBL2108113,,1380379,NONE,0,"Pharmaceutic Aid (solvent); Pharmaceutic Aid (vehicle, oleaginous)",
CHEMBL2108117,,1380383,NONE,0,,
CHEMBL2108122,,1380388,NONE,0,Leukopheresis Adjunct (red cell sedimenting agent),
CHEMBL2108126,,1380392,NONE,0,Laxative,
CHEMBL2108129,,1380395,NONE,0,,
CHEMBL2108131,,1380397,NONE,0,,
CHEMBL2108134,,1380400,NONE,0,Pharmaceutic Aid (suppository base); Pharmaceutic Aid (surfactant); Pharmaceutic Aid (tablet coating agent); Pharmaceutic Aid (tablet binder and emulsifying agent); Pharmaceutic Aid (ointment base),
CHEMBL2108135,,1380401,NONE,0,,
CHEMBL2108139,,1380405,NONE,0,Pharmaceutic Aid (dispersing and suspending agent),
CHEMBL2108147,,1380413,NONE,0,,1997.0
CHEMBL2108148,,1380414,NONE,0,,
CHEMBL2108161,,1380427,NONE,0,Diagnostic Aid (dermal reactivity indicator),
CHEMBL2108163,,1380429,NONE,0,,
CHEMBL2108165,,1380431,NONE,0,,
CHEMBL2108172,,1380438,NONE,0,Pharmaceutic Aid (suspending and/or viscosity agent),
CHEMBL2108175,,1380441,NONE,0,Antihemophilic,
CHEMBL2108181,,1380447,NONE,0,Pharmaceutic Aid (flavor),
CHEMBL2108182,,1380448,NONE,0,,
CHEMBL2108184,,1380450,NONE,1,,2012.0
CHEMBL2108185,,1380451,NONE,0,,
CHEMBL2108195,,1380461,NONE,0,Blood Replenisher,
CHEMBL2108197,,1380463,NONE,0,Pharmaceutic Aid (suspending agent); Pharmaceutic Aid (tablet and capsule diluent); Pharmaceutic Aid (tablet binder); Pharmaceutic Aid (viscosity-increasing agent),
CHEMBL2108200,,1380466,NONE,0,Prosthetic Aid (soft tissue); Lubricant And Hydrophobing Agent,
CHEMBL2108201,,1380467,NONE,0,,
CHEMBL2108208,,1380474,SEQ,0,Immunomodulator,
CHEMBL2108210,,1380476,NONE,0,,
CHEMBL2108214,,1380480,NONE,0,,
CHEMBL2108215,,1380481,NONE,0,Pharmaceutic Aid (suspending agent),
CHEMBL2108221,,1380487,NONE,0,,
CHEMBL2108222,,1380488,NONE,0,,
CHEMBL2108228,,1380494,SEQ,0,Monoclonal Antibody (diagnosis of non-hodgkin's lymphoma and detection of aids-related lymphoma),
CHEMBL2108231,,1380497,NONE,0,Contact Lens Material (hydrophilic),
CHEMBL2108232,,1380498,NONE,0,Anti-Eczematic (topical),
CHEMBL2108233,,1380499,NONE,0,,
CHEMBL2108234,,1380500,NONE,0,"Vitamins A And D, source of",
CHEMBL2108236,,1380502,NONE,0,Carminative; Stomachic; Counterirritant (external),
CHEMBL2108239,,1380505,NONE,0,Hematopoietic (macrophage colony-stimulating factor),
CHEMBL2108243,,1380509,NONE,0,Pharmaceutic Aid (solvent),
CHEMBL2108245,,1380511,NONE,0,,
CHEMBL2108247,,1380513,NONE,0,Pharmaceutic Aid (flavor),
CHEMBL2108250,,1380516,NONE,0,Fibrinolytic,
CHEMBL2108255,,1380521,NONE,0,Prosthetic Aid (arterial),
CHEMBL2108265,,1380531,NONE,0,,
CHEMBL2108268,,1380534,NONE,0,Hemostatic (local),
CHEMBL2108278,,1380544,SEQ,1,,2016.0
CHEMBL2108282,,1380548,NONE,0,,
CHEMBL2108286,,1380552,NONE,0,,
CHEMBL2108287,,1380553,NONE,0,,
CHEMBL2108290,,1380556,NONE,0,,
CHEMBL2108291,,1380557,NONE,0,,
CHEMBL2108293,,1380559,NONE,0,,
CHEMBL2108299,,1380565,NONE,0,,
CHEMBL2108304,,1380570,NONE,0,,
CHEMBL2108308,,1380574,NONE,0,,
CHEMBL2108309,,1380575,NONE,0,,
CHEMBL2108311,,1380577,SEQ,1,,2015.0
CHEMBL2108312,,1380578,NONE,0,,
CHEMBL2108313,,1380579,SEQ,0,,
CHEMBL2108314,,1380580,NONE,0,,
CHEMBL2108322,,1380588,NONE,0,,
CHEMBL2108326,,1380592,NONE,0,,
CHEMBL2108334,,1380600,NONE,0,,
CHEMBL2108336,,1380602,NONE,0,,2016.0
CHEMBL2108340,,1380606,NONE,0,,
CHEMBL2108342,,1380608,NONE,0,,
CHEMBL2108345,,1380611,NONE,0,,
CHEMBL2108348,,1380614,NONE,0,,
CHEMBL2108350,,1380616,NONE,0,,
CHEMBL2108354,,1380620,NONE,0,,
CHEMBL2108357,,1380623,NONE,0,,
CHEMBL2108358,,1380624,NONE,0,,
CHEMBL2108359,,1380625,SEQ,0,,
CHEMBL2108370,,1380636,SEQ,0,,
CHEMBL2108373,,1380639,NONE,0,Spermaticide; Pharmaceutic Aid (surfactant),
CHEMBL2108378,,1380644,SEQ,0,Monoclonal Antibody (anti-endotoxin),
CHEMBL2108387,,1380653,NONE,0,"Pharmaceutic Aid (ointment base, absorbent)",
CHEMBL2108390,,1380656,NONE,0,,
CHEMBL2108391,,1380657,NONE,0,,
CHEMBL2108396,,1380662,NONE,0,,
CHEMBL2108402,,1380668,NONE,0,,
CHEMBL2108404,,1380670,SEQ,0,,
CHEMBL2108405,,1380671,NONE,0,,
CHEMBL2108426,,1380692,NONE,0,,
CHEMBL2108427,,1380693,NONE,0,Gonad-Stimulating Principle,1975.0
CHEMBL2108429,,1380695,SEQ,1,,2015.0
CHEMBL2108442,,1380708,SEQ,0,,
CHEMBL2108446,,1380712,NONE,0,Pharmaceutic Aid (tablet disintegrant); Pharmaceutic Aid (tablet binder),
CHEMBL2108448,,1380714,NONE,0,Plasma Volume Extender,
CHEMBL2108451,,1380717,NONE,0,Plasma Volume Extender,
CHEMBL2108455,,1380721,NONE,0,,
CHEMBL2108456,,1380722,NONE,0,Contact Lens Material (hydrophilic),
CHEMBL2108458,,1380724,NONE,0,Contact Lens Material (hydrophilic),
CHEMBL2108462,,1380728,NONE,0,,
CHEMBL2108463,,1380729,NONE,0,,
CHEMBL2108465,,1380731,NONE,0,,
CHEMBL2108466,,1380732,NONE,0,,
CHEMBL2108479,,1380745,NONE,0,,
CHEMBL2108481,,1380747,NONE,0,Anticoagulant,
CHEMBL2108484,,1380750,NONE,0,Pharmaceutic Aid (perfume),
CHEMBL2108492,,1380758,NONE,0,Antidiabetic,
CHEMBL2108493,,1380759,NONE,0,Antidiabetic,
CHEMBL2108494,,1380760,NONE,0,,
CHEMBL2108505,,1380771,NONE,0,,
CHEMBL2108506,,1380772,NONE,0,,
CHEMBL2108508,,1380774,NONE,0,Antineoplastic; Biological Response Modifier,1986.0
CHEMBL2108510,,1380776,NONE,0,,
CHEMBL2108511,,1380777,NONE,0,,
CHEMBL2108512,,1380778,NONE,0,Immunizing Agent (passive),
CHEMBL2108514,,1380780,NONE,0,Diagnostic Aid (paramagnetic),
CHEMBL2108518,,1380784,NONE,0,Pharmaceutic Aid (encapsulating agent); Pharmaceutic Aid (suspending agent); Pharmaceutic Aid (tablet binder); Pharmaceutic Aid (tablet coating agent),
CHEMBL2108519,,1380785,NONE,0,,
CHEMBL2108525,,1380791,NONE,0,Hematinic,
CHEMBL2108535,,1380801,NONE,0,,
CHEMBL2108539,,1380805,NONE,0,"Surgical Aid (surgical suture material, absorbable)",
CHEMBL2108546,,1380812,NONE,0,Antineoplastic,1994.0
CHEMBL2108555,,1380821,NONE,0,Pharmaceutic Aid (ointment base),
CHEMBL2108556,,1380822,NONE,0,,
CHEMBL2108558,,1380824,NONE,0,Laxative,
CHEMBL2108559,,1380825,NONE,0,Laxative,
CHEMBL2108563,,1380829,NONE,0,Pharmaceutic Aid (dispersing and suspending agent),
CHEMBL2108566,,1380832,SEQ,0,Monoclonal Antibody,
CHEMBL2108567,,1380833,SEQ,0,,
CHEMBL2108568,,1380834,SEQ,0,,
CHEMBL2108569,,1380835,NONE,0,,
CHEMBL2108570,,1380836,NONE,0,,2009.0
CHEMBL2108574,,1380840,NONE,0,,
CHEMBL2108576,,1380842,SEQ,0,,
CHEMBL2108577,,1380843,NONE,0,,
CHEMBL2108581,,1380847,SEQ,0,,
CHEMBL2108583,,1380849,NONE,0,,
CHEMBL2108584,,1380850,NONE,0,,
CHEMBL2108589,,1380855,SEQ,0,,
CHEMBL2108593,,1380859,NONE,0,,
CHEMBL2108594,,1380860,NONE,0,,
CHEMBL2108597,,1380863,NONE,0,,2013.0
CHEMBL2108607,,1380873,NONE,0,Spreading Agent,
CHEMBL2108609,,1380875,NONE,0,,
CHEMBL2108611,,1380877,SEQ,1,,2017.0
CHEMBL2108620,,1380886,NONE,0,,
CHEMBL2108626,,1380892,NONE,0,,
CHEMBL2108628,,1380894,NONE,0,,
CHEMBL2108632,,1380898,NONE,0,,
CHEMBL2108638,,1380904,SEQ,1,,2012.0
CHEMBL2108642,,1380908,NONE,0,,
CHEMBL2108651,,1380917,NONE,0,,
CHEMBL2108653,,1380919,SEQ,0,,
CHEMBL2108655,,1380921,NONE,0,,
CHEMBL2108658,,1380924,SEQ,0,,
CHEMBL2108659,,1380925,NONE,0,,2016.0
CHEMBL2108661,,1380927,NONE,0,,
CHEMBL2108663,,1380929,NONE,0,,
CHEMBL2108667,,1380933,NONE,0,,2002.0
CHEMBL2108670,,1380936,SEQ,1,,2016.0
CHEMBL2108675,,1380941,SEQ,1,,2017.0
CHEMBL2108676,,1380942,NONE,1,,2014.0
CHEMBL2108677,,1380943,NONE,0,,2014.0
CHEMBL2108681,,1380947,SEQ,0,,2018.0
CHEMBL2108688,,1380954,NONE,0,Immunizing Agent (active),
CHEMBL2108693,,1380959,NONE,0,,
CHEMBL2108696,,1380962,NONE,0,,
CHEMBL2108698,,1380964,NONE,0,Astringent,
CHEMBL2108701,,1380967,NONE,0,,
CHEMBL2108703,,1380969,NONE,0,,
CHEMBL2108705,,1380971,NONE,0,,
CHEMBL2108708,,1380974,NONE,0,,
CHEMBL2108709,,1380975,NONE,0,,2010.0
CHEMBL2108713,,1380979,NONE,0,,
CHEMBL2108717,,1380983,NONE,0,,
CHEMBL2108718,,1380984,NONE,0,,
CHEMBL2108723,,1380989,NONE,0,,
CHEMBL2108724,,1380990,NONE,0,,2017.0
CHEMBL2108725,,1380991,NONE,0,,
CHEMBL2108726,,1380992,NONE,0,,2013.0
CHEMBL2108727,,1380993,NONE,0,,
CHEMBL2108728,,1380994,NONE,0,,2018.0
CHEMBL2108730,,1380996,SEQ,0,,2017.0
CHEMBL2108733,,1380999,NONE,0,,
CHEMBL2108735,,1381001,NONE,0,,
CHEMBL2108738,,1381004,SEQ,0,,2015.0
CHEMBL2108741,,1381007,NONE,0,,
CHEMBL2108744,,1381010,NONE,0,Pharmaceutic Aid (suspending agent),
CHEMBL2108750,,1381016,NONE,0,Pharmaceutic Aid (solvent),
CHEMBL2108751,,1381017,NONE,0,Pharmaceutic Aid (suspending agent); Protectant,
CHEMBL2108752,,1381018,NONE,0,,
CHEMBL2108757,,1381023,NONE,0,,
CHEMBL2108758,,1381024,NONE,0,Pharmaceutic Aid (flavor),
CHEMBL2108764,,1381030,NONE,0,,
CHEMBL2108767,,1381033,SEQ,0,,
CHEMBL2108769,,1381035,NONE,0,,
CHEMBL2108774,,1381040,NONE,0,Replenisher (platelets),
CHEMBL2108775,,1381041,NONE,0,,
CHEMBL2108778,,1381044,NONE,0,Immunizing Agent (active),
CHEMBL2108780,,1381046,NONE,0,,
CHEMBL2108782,,1381048,NONE,0,,
CHEMBL2108791,,1381057,NONE,0,,2000.0
CHEMBL2108792,,1381058,NONE,0,,
CHEMBL2108793,,1381059,NONE,0,,
CHEMBL2108796,,1381062,SEQ,0,,
CHEMBL2108800,,1381066,SEQ,0,"Monoclonal Antibody,Radioactive Agent",
CHEMBL2108806,,1381072,NONE,0,,
CHEMBL2108809,,1381075,NONE,0,Monoclonal Antibody (diagnostic for the detection of infectious lesions),
CHEMBL2108811,,1381077,SEQ,0,,
CHEMBL2108813,,1381079,NONE,0,Pharmaceutic Aid (stiffening agent); Pharmaceutic Aid (emulsifying agent),
CHEMBL2108816,,1381082,NONE,0,Immunizing Agent (active),
CHEMBL2108821,,1381087,NONE,0,Enzyme (proteolytic),
CHEMBL2108822,,1381088,NONE,0,Immunizing Agent (active),
CHEMBL2108832,,1381098,NONE,0,Pharmaceutic Aid (suspending agent),
CHEMBL2108833,,1381099,NONE,0,,
CHEMBL2108834,,1381100,NONE,0,,
CHEMBL2108835,,1381101,NONE,0,,
CHEMBL2108858,,1381124,NONE,0,Immunizing Agent (passive),
CHEMBL2108862,,1381128,NONE,0,,
CHEMBL2108866,,1381132,NONE,0,Dusting Powder; Pharmaceutic Aid,
CHEMBL2108875,,1381141,NONE,0,Immunizing Agent (active),
CHEMBL2108876,,1381142,NONE,0,Immunizing Agent (active),
CHEMBL2108878,,1381144,NONE,0,Thyroid Hormone,
CHEMBL2108880,,1381146,NONE,0,,
CHEMBL2108885,,1381151,NONE,0,,
CHEMBL2108888,,1381154,NONE,0,,2003.0
CHEMBL2108890,,1381156,NONE,0,Diagnostic Aid (lung imaging),
CHEMBL2108893,,1381159,NONE,0,,
CHEMBL2108894,,1381160,NONE,0,Pharmaceutic Aid (tablet binder and emulsifying agent),
CHEMBL2108905,,1381171,NONE,0,Immunizing Agent (active),
CHEMBL2108906,,1381172,NONE,0,,
CHEMBL2108912,,1381178,NONE,0,Diagnostic Aid (dermal reactivity indicator),
CHEMBL2108918,,1381184,NONE,0,,
CHEMBL2108921,,1381187,NONE,0,,
CHEMBL2108922,,1381188,NONE,0,,
CHEMBL2108924,,1381190,NONE,0,,
CHEMBL2108931,,1381197,NONE,0,,
CHEMBL2108938,,1381204,NONE,0,Antiseptic; Anti-Ulcerative,
CHEMBL2108939,,1381205,NONE,0,Immunizing Agent (active),
CHEMBL2108947,,1381213,NONE,0,,
CHEMBL2108955,,1381221,SEQ,0,Monoclonal Antibody (antineoplastic adjuvant),
CHEMBL2108956,,1381222,NONE,0,Pharmaceutic Aid (suspending agent); Pharmaceutic Aid (viscosity-increasing agent); Pharmaceutic Aid (tablet excipient),
CHEMBL2108964,,1381230,NONE,0,Antidiabetic,
CHEMBL2108967,,1381233,SEQ,0,,
CHEMBL2108968,,1381234,NONE,0,,
CHEMBL2108973,,1381239,NONE,0,Antidiabetic,
CHEMBL2108986,,1381252,NONE,0,Antidiuretic,
CHEMBL2108989,,1381255,NONE,0,Antineoplastic,1994.0
CHEMBL2108995,,1381261,NONE,0,Pharmaceutic Aid (emulsifying agent); Pharmaceutic Aid (suspending agent),
CHEMBL2109001,,1381267,NONE,0,Pharmaceutic Aid (viscosity-increasing agent); Pharmaceutic Aid (suspending agent); Pharmaceutic Aid (tablet excipient),
CHEMBL2109005,,1381271,NONE,0,Laxative,
CHEMBL2109009,,1381275,NONE,0,Pharmaceutic Aid (tablet and capsule diluent),
CHEMBL2109016,,1381282,NONE,0,Anhidrotic,
CHEMBL2109027,,1381293,NONE,0,Anti-Inflammatory,
CHEMBL2109033,,1381299,NONE,0,,
CHEMBL2109035,,1381301,NONE,0,"Anti-Infective, Topical",
CHEMBL2109036,,1381302,SEQ,0,,
CHEMBL2109038,,1381304,NONE,0,Monoclonal Antibody (antimyosin),1996.0
CHEMBL2109042,,1381308,NONE,0,Immunizing Agent (active),
CHEMBL2109046,,1381312,NONE,0,,
CHEMBL2109047,,1381313,NONE,0,Biological Response Modifier; Antineoplastic,1989.0
CHEMBL2109048,,1381314,NONE,0,,
CHEMBL2109050,,1381316,NONE,0,,
CHEMBL2109058,,1381324,NONE,0,,
CHEMBL2109060,,1381326,NONE,0,,
CHEMBL2109065,,1381331,NONE,0,,2001.0
CHEMBL2109067,,1381333,NONE,0,,
CHEMBL2109070,,1381336,NONE,0,,
CHEMBL2109072,,1381338,NONE,0,,
CHEMBL2109079,,1381345,NONE,0,,
CHEMBL2109084,,1381350,NONE,0,,
CHEMBL2109085,,1381351,SEQ,0,,
CHEMBL2109092,,1381358,NONE,0,Anti-Anemic; Hematinic,
CHEMBL2109093,,1381359,NONE,0,,
CHEMBL2109121,,1381387,NONE,0,Immunizing Agent (active),
CHEMBL2109128,,1381394,NONE,0,Hematopoietic Stimulant; Antineutropenic,
CHEMBL2109134,,1381400,NONE,0,Antineutropenic; Hematopoietic Stimulant,
CHEMBL2109137,,1381403,NONE,0,,
CHEMBL2109150,,1381416,SEQ,0,,
CHEMBL2109152,,1381418,NONE,0,Laxative; Pharmaceutic Aid (solvent),
CHEMBL2109158,,1381424,NONE,0,,
CHEMBL2109163,,1381429,NONE,0,Immunizing Agent (active),
CHEMBL2109171,,1381437,NONE,0,,
CHEMBL2109172,,1381438,NONE,0,Cardiotonic,
CHEMBL2109177,,1381443,SEQ,0,,
CHEMBL2109181,,1381447,SEQ,0,Monoclonal Antibody (anti-endotoxin),1991.0
CHEMBL2109188,,1381454,NONE,0,,
CHEMBL2109191,,1381457,SEQ,0,,
CHEMBL2109193,,1381459,SEQ,0,,
CHEMBL2109198,,1381464,NONE,0,Pharmaceutic Aid (suspending agent),
CHEMBL2109199,,1381465,NONE,0,,
CHEMBL2109201,,1381467,NONE,0,Immunizing Agent (active),
CHEMBL2109203,,1381469,NONE,0,,
CHEMBL2109204,,1381470,NONE,0,,
CHEMBL2109205,,1381471,NONE,0,,
CHEMBL2109208,,1381474,NONE,0,,
CHEMBL2109211,,1381477,NONE,0,Immunizing Agent (active),
CHEMBL2109217,,1381483,NONE,0,,
CHEMBL2109219,,1381485,NONE,0,Immunizing Agent (active),
CHEMBL2109220,,1381486,NONE,0,Immunizing Agent (active),
CHEMBL2109225,,1381491,NONE,0,Immunizing Agent (active),
CHEMBL2109228,,1381494,NONE,0,,
CHEMBL2109229,,1381495,NONE,0,,
CHEMBL2109253,,1381693,SEQ,0,,
CHEMBL2109256,,1381696,SEQ,0,,
CHEMBL2109259,,1381699,SEQ,0,,
CHEMBL2109287,,1381727,SEQ,0,,1996.0
CHEMBL2109312,,1381752,SEQ,0,,
CHEMBL2109321,,1381761,SEQ,0,,
CHEMBL2109334,,1381774,SEQ,1,,2020.0
CHEMBL2109361,,1381801,SEQ,0,,
CHEMBL2109377,,1381817,SEQ,0,,
CHEMBL2109388,,1381828,SEQ,0,,
CHEMBL2109399,,1381839,SEQ,0,,
CHEMBL2109406,,1381846,SEQ,0,,
CHEMBL2109408,,1381848,SEQ,0,,
CHEMBL2109418,,1381858,SEQ,0,,
CHEMBL2109420,,1381860,SEQ,0,,
CHEMBL2109427,,1381867,SEQ,0,,
CHEMBL2109433,,1381873,SEQ,0,,
CHEMBL2109447,,1381887,SEQ,0,,
CHEMBL2109457,,1381897,SEQ,0,,
CHEMBL2109511,,1381951,SEQ,0,,
CHEMBL2109524,,1381964,SEQ,0,,
CHEMBL2109528,,1381968,SEQ,0,,
CHEMBL2109540,,1381980,SEQ,1,,2015.0
CHEMBL2109569,,1382009,SEQ,0,,
CHEMBL2109588,,1382028,SEQ,0,,
CHEMBL2109592,,1382032,SEQ,0,,
CHEMBL2109608,,1382048,SEQ,0,,
CHEMBL2109624,,1382064,SEQ,1,,2019.0
CHEMBL2109626,,1382066,SEQ,0,,
CHEMBL2109643,,1382083,SEQ,0,,
CHEMBL2109653,,1382093,SEQ,0,,
CHEMBL2109662,,1382102,SEQ,0,,
CHEMBL2110367,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.O=S(=O)(O)O,1382807,MOL,0,,1988.0
CHEMBL2110368,C/N=C(\NC)NCc1ccccc1.C/N=C(\NC)NCc1ccccc1.O=S(=O)(O)O,1382808,MOL,0,Antihypertensive,1982.0
CHEMBL2110372,CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1.Cl,1382812,MOL,0,Antagonist (to histamine-H2 receptors),1983.0
CHEMBL2110553,,1382993,NONE,0,Diagnostic Aid (radiopaque medium); Radioactive Agent,1976.0
CHEMBL2110562,,1383002,NONE,0,Radioactive Agent; Diagnostic Aid (renal function determination),
CHEMBL2110563,,1383003,NONE,0,"Diagnostic Aid (pernicious anemia); Radioactive Agent,Radioactive Agent; Diagnostic Aid (pernicious anemia),Vitamin (hematopoietic)",
CHEMBL2110577,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2OC(C)=O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,1383017,MOL,0,Antibacterial,
CHEMBL2110579,CN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1,1383019,MOL,0,,
CHEMBL2110581,Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(=O)(O)O[C@@H]3[C@@H](COP(=O)(O)O[C@@H]4[C@@H](COP(=O)(O)O[C@@H]5[C@@H](COP(=O)(O)O[C@@H]6[C@@H](COP(=O)(O)O[C@@H]7[C@@H](COP(=O)(O)O[C@@H]8[C@@H](COP(=O)(O)O[C@@H]9[C@@H](COP(=O)(O)O[C@@H]%10[C@@H](COP(=O)(O)O[C@@H]%11[C@@H](COP(=O)(O)O[C@@H]%12[C@@H](COP(=O)(O)O[C@@H]%13[C@@H](COP(=O)(O)O[C@@H]%14[C@@H](COP(=O)(O)O[C@@H]%15[C@@H](COP(=O)(O)O[C@@H]%16[C@@H](COP(=O)(O)O[C@@H]%17[C@@H](COP(=O)(O)O[C@@H]%18[C@@H](COP(=O)(O)O[C@@H]%19[C@@H](COP(=O)(O)O[C@@H]%20[C@@H](COP(=O)(O)O[C@@H]%21[C@@H](CO)O[C@@H](n%22cnc%23c(N)ncnc%23%22)[C@@H]%21O)O[C@@H](n%21ccc(N)nc%21=O)[C@@H]%20O)O[C@@H](n%20ccc(N)nc%20=O)[C@@H]%19O)O[C@@H](n%19ccc(=O)[nH]c%19=O)[C@@H]%18O)O[C@@H](n%18ccc(N)nc%18=O)[C@@H]%17O)O[C@@H](n%17cnc%18c(N)ncnc%18%17)[C@@H]%16O)O[C@@H](n%16ccc(N)nc%16=O)[C@@H]%15O)O[C@@H](n%15ccc(N)nc%15=O)[C@@H]%14O)O[C@@H](n%14cnc%15c(N)ncnc%15%14)[C@@H]%13O)O[C@@H](n%13cnc%14c(N)ncnc%14%13)[C@@H]%12O)O[C@@H](n%12cnc%13c(=O)[nH]c(N)nc%13%12)[C@@H]%11O)O[C@@H](n%11cnc%12c(=O)[nH]c(N)nc%12%11)[C@@H]%10O)O[C@@H](n%10ccc(N)nc%10=O)[C@@H]9O)O[C@@H](n9ccc(N)nc9=O)[C@@H]8O)O[C@@H](n8cnc9c(N)ncnc98)[C@@H]7O)O[C@@H](n7cnc8c(=O)[nH]c(N)nc87)[C@@H]6O)O[C@@H](n6ccc(N)nc6=O)[C@@H]5O)O[C@@H](n5cnc6c(N)ncnc65)[C@@H]4O)O[C@@H](n4ccc(N)nc4=O)[C@@H]3O)O2)c(=O)[nH]c1=O,1383021,MOL,0,,
CHEMBL2110587,O=C(NS(=O)(=O)c1ccc(Br)s1)c1ccc(Cl)cc1Cl,1383027,MOL,0,,
CHEMBL2110588,CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2,1383028,MOL,0,,2014.0
CHEMBL2110674,CC(=O)N[C@@H]1C[C@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](C(=O)O)O[C@@H](O)[C@H](O)[C@H]1O,1383114,MOL,0,Synovitis Agent (veterinary),
CHEMBL2110675,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CI)[C@H]3CC[C@@]21C,1383115,MOL,0,Radioactive Agent,
CHEMBL2110725,CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C[C@@H](C(C)(F)F)CN(Cc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32,1383165,MOL,0,,
CHEMBL2110727,CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@+]([O-])Cc4cncn4CCC)cc2)CCCN3CC(C)C)cc1,1383167,MOL,0,,
CHEMBL2110730,CSCC[C@H](N)C(=O)N[C@@]1(C(=O)O)CS(=O)(=O)[C@H]2[C@H](C(=O)O)[C@H]21,1383170,MOL,0,,
CHEMBL2110731,CCc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,1383171,MOL,0,,
CHEMBL2110732,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1,1383172,MOL,0,,2018.0
CHEMBL2110773,C[N+]1(CC2CC2)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21,1383213,MOL,0,,
CHEMBL2110774,CN(C)CCOC(C)(c1ccccc1)c1ccc(Cl)cc1,1383214,MOL,0,,
CHEMBL2110791,CCN(CC)CCCNCc1cc(Cl)c2cccnc2c1O,1383231,MOL,0,Anti-Amebic,
CHEMBL2110805,CC[N+](C)(C)C(C)CC(c1ccccc1)c1ccccc1,1383245,MOL,0,,
CHEMBL2110816,CC(CC1c2ccccc2CCc2ccccc21)CN(C)C,1383256,MOL,0,Antidepressant,
CHEMBL2110824,CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1,1383264,MOL,0,Gonad-Stimulating Principle,
CHEMBL2110900,CN(C)[C@@H](CCOc1cccc2ccccc12)c1ccccc1,1383340,MOL,0,Antidepressant,
CHEMBL2110948,C[N+]1(C)CCCC1COC(=O)C(O)(c1ccccc1)c1ccccc1,1383388,MOL,0,Anticholinergic,
CHEMBL2110954,CC1(C)CC(C)(C)CC(C)(N)C1,1383394,MOL,0,,
CHEMBL2111029,N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,1383469,MOL,0,,
CHEMBL2111030,CN(C)CCCN1c2ccccc2Sc2cccnc21,1383470,MOL,0,,
CHEMBL2111084,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCNC(C)C,1383524,MOL,0,,
CHEMBL2111086,N[C@@H](CCC(=O)N[C@@H](CS(=O)(=O)CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)C(=O)N[C@@H](C(=O)O)c1ccccc1)C(=O)O,1383526,MOL,0,,
CHEMBL2111092,O=S(=O)(O)CCCS(=O)(=O)O,1383532,MOL,0,,
CHEMBL2111097,CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl,1383537,MOL,0,,2019.0
CHEMBL2111101,CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1,1383541,MOL,0,,2016.0
CHEMBL2111107,O=C(O)CCSC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CSCCC(=O)O)O[C@H](O[C@@H]4[C@@H](CSCCC(=O)O)O[C@H](O[C@@H]5[C@@H](CSCCC(=O)O)O[C@H](O[C@@H]6[C@@H](CSCCC(=O)O)O[C@H](O[C@@H]7[C@@H](CSCCC(=O)O)O[C@H](O[C@@H]8[C@@H](CSCCC(=O)O)O[C@H](O[C@@H]9[C@@H](CSCCC(=O)O)O[C@H](O[C@H]1[C@H](O)C2O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O,1383547,MOL,1,,2015.0
CHEMBL2111108,N=C(N)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1,1383548,MOL,0,,
CHEMBL2111110,C1CCC2(C1)[C@H]1CN(CC3CC3)C[C@@H]2CN(CC2CC2)C1,1383550,MOL,0,,
CHEMBL2111112,COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC,1383552,MOL,0,,
CHEMBL2111187,[Cl-].[Cl-].[Ra+2],1383627,MOL,0,,2013.0
CHEMBL2111286,CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Bi+3],1383722,MOL,0,Antagonist (to histamine-H2 receptors),1996.0
CHEMBL2111290,,1383724,NONE,0,,2010.0
CHEMBL211456,CN[C@@H](C)[C@H](O)c1ccccc1,351701,MOL,0,"Adrenergic,Bronchodilator",2016.0
CHEMBL211471,CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.COS(=O)(=O)[O-],353902,MOL,0,Cholinergic,2013.0
CHEMBL21333,O=C(Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12)c1ccc(OCCCCc2ccccc2)cc1,26451,MOL,0,,
CHEMBL2134724,CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2.O.[Br-],1406675,MOL,0,Bronchodilator,1986.0
CHEMBL2135460,NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O,1407411,BOTH,0,,
CHEMBL2138684,CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1.O.O=C(O)CCC(=O)O,1410635,MOL,0,,2001.0
CHEMBL2141296,CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O,1413247,MOL,0,,
CHEMBL2142890,CC(=O)NC(CCC(=O)O)C(=O)O,1414841,MOL,0,,
CHEMBL2145077,COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2.Cl,1417028,MOL,1,,2015.0
CHEMBL2146063,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12.Cl,1418014,MOL,0,Antiprotozoal; Antibacterial,1950.0
CHEMBL2146083,C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.O=S(=O)(O)O.O=S(=O)(O)O,1418034,MOL,0,,
CHEMBL2146088,C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.Cl.Cl,1418039,MOL,0,,
CHEMBL2146102,CN[C@@H](C)[C@H](O)c1ccccc1.Cl,1418053,MOL,0,Bronchodilator,
CHEMBL2146110,Cl.Fc1ccc(-c2cncc(CNC[C@H]3CCc4ccccc4O3)c2)cc1,1418061,MOL,0,,
CHEMBL2146121,[CaH2],1418072,MOL,0,,
CHEMBL2146123,C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12.Cl,1418074,MOL,0,Antibacterial,1982.0
CHEMBL2146124,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(N)=O)CS[C@H]12)c1ccco1.[Na+],1418075,MOL,0,Antibacterial,1983.0
CHEMBL2146125,[MgH2],1418076,MOL,0,,
CHEMBL2146126,[LiH],1418077,MOL,0,,
CHEMBL2146133,COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Mg+2],1418084,MOL,0,,2001.0
CHEMBL2146140,COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.O.O.O.O.[Sr+2],1418091,MOL,0,,2013.0
CHEMBL2146146,CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2.O=S(=O)(O)O,1418097,MOL,0,Anticholinergic (ophthalmic),1960.0
CHEMBL2146161,CC1=C\[C@@H](O)CC(=O)Cc2nc(co2)C(=O)N2CCC=C2C(=O)O[C@H](C(C)C)[C@H](C)/C=C/C(=O)NC\C=C\1.CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O,1418112,MOL,0,,
CHEMBL2146883,O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1,1420377,MOL,0,,2015.0
CHEMBL2147777,Cc1cc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)n(-c2ccccc2)n1,1421280,MOL,0,,
CHEMBL2151572,O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(Cl)c2s1,1422241,MOL,0,,
CHEMBL21536,CCCCCCOc1nsnc1C1=CCCN(C)C1,26653,MOL,0,Alzheimer's Disease Treatment (cholinergic agonist),
CHEMBL215645,CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1.O=C(O)C(O)C(O)C(=O)O,355897,MOL,0,,2000.0
CHEMBL2158051,CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O,1424583,MOL,0,,
CHEMBL2159122,COc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2nc(-c3ccccc3)c[nH]2)cc1C(=O)O,1425665,MOL,0,,2015.0
CHEMBL2165224,CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H](O)C2,1428659,MOL,0,,
CHEMBL2165326,NS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1,1428762,MOL,0,,
CHEMBL2165402,CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,1428839,MOL,0,,
CHEMBL216913,CC(/C=N/N=C(N)N)=N\N=C(N)N,365276,MOL,0,,
CHEMBL217092,CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1,361444,MOL,0,,
CHEMBL21731,CNCCCC12CCC(c3ccccc31)c1ccccc12,27713,MOL,0,Antidepressant,1980.0
CHEMBL2177390,CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1,1438174,MOL,0,,
CHEMBL2178422,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F,1439217,MOL,0,,2020.0
CHEMBL2178578,CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cc[n+]([O-])cc2)cc1,1439374,MOL,0,,
CHEMBL218166,O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5ccccc5)c4)CC3)c2o1,367160,MOL,0,,
CHEMBL2181927,CCOc1ncc(C)c2c1[C@H](c1ccc(C#N)cc1OC)C(C(N)=O)=C(C)N2,1442757,MOL,0,,
CHEMBL218394,CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C,360720,MOL,1,,2011.0
CHEMBL218490,CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,366274,MOL,0,Carbonic Anhydrase Inhibitor,1994.0
CHEMBL218650,C[C@]1(COc2ccc(N3CCC(Oc4ccc(OC(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1,365195,MOL,0,,
CHEMBL21869,O=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1O,27104,MOL,0,Disinfectant,
CHEMBL219410,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@H](n3cnnn3)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C,333801,MOL,0,,
CHEMBL219568,Nc1nc2[nH]cnc2c(=O)[nH]1,364690,MOL,0,,
CHEMBL219916,O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1,364745,MOL,0,Anti-Emetic,
CHEMBL22,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,1216,MOL,0,Antibacterial,1973.0
CHEMBL220360,C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1,364983,MOL,0,,
CHEMBL220491,CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21,366278,MOL,0,Antiglaucoma Agent,1998.0
CHEMBL220492,CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1,366279,MOL,0,Anticonvulsant,1996.0
CHEMBL2205807,Cc1ccc(-c2ccc(C)cn2)nc1,1445435,MOL,1,,2020.0
CHEMBL2206196,NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O.O=S(=O)(O)O,1445828,MOL,0,Anti-Amebic,1969.0
CHEMBL2207138,CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)C(C)C,1446779,BOTH,0,,
CHEMBL220808,Fc1ccc(-c2cncc(CNC[C@H]3CCc4ccccc4O3)c2)cc1,367154,MOL,0,,
CHEMBL22097,CN1C(=O)C(O)N=C(c2ccccc2Cl)c2cc(Cl)ccc21,27028,MOL,0,Sedative-Hypnotic,
CHEMBL22108,CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1,26443,MOL,0,Antihistaminic,
CHEMBL221326,O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1,370168,MOL,0,,
CHEMBL2216870,CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1,1448219,MOL,1,,2014.0
CHEMBL221722,NC(=O)c1nc(F)cnc1O,373798,MOL,0,,
CHEMBL221886,CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CN)=CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O,371527,MOL,0,Antibacterial,
CHEMBL2218860,,1449133,NONE,0,,2011.0
CHEMBL2218877,CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C.CCCCCCCCCCCCOS(=O)(=O)O,1449150,MOL,0,Antibacterial,1967.0
CHEMBL2218878,COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC.O=C(O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,1449151,MOL,0,Antineoplastic,1993.0
CHEMBL2218885,C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)c(CCC(=O)OC)c4C)C1(C)C3=CC=C(C(=O)OC)C1C(=O)OC.C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)OC)c(CCC(=O)O)c4C)C1(C)C3=CC=C(C(=O)OC)C1C(=O)OC,1449158,MOL,0,Antineoplastic,2000.0
CHEMBL2218892,C/C(=N\O)C(C)NCC(C)(C)CNC(C)/C(C)=N/O,1449165,MOL,0,Diagnostic Aid (regional cerebral perfusion imaging),
CHEMBL2218894,CC(C)n1c(/C=C/C(O)CC(O)CC(=O)[O-])c(-c2ccc(F)cc2)c2ccccc21.[Na+],1449167,MOL,0,Antihyperlipidemic; Inhibitor (HMG-CoA reductase),1993.0
CHEMBL2218896,CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(=O)CC21,1449169,MOL,0,Tranquilizer (minor),1985.0
CHEMBL2218908,CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O.CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O.O=S(=O)(O)O.O=S(=O)(O)O,1449181,MOL,0,Antibacterial,1962.0
CHEMBL2218913,C[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@H](C2CCNC(=N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC1=O.N=C1NCCC([C@@H]2NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC2=O)N1.O=S(=O)(O)O.O=S(=O)(O)O,1449186,MOL,0,Antibacterial (tuberculostatic),1971.0
CHEMBL2218916,O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[OH-],1449189,MOL,0,Prosthetic Aid,
CHEMBL2218917,CC1OC2(CS1)CN1CCC2CC1.Cl.O,1449190,MOL,0,Alzheimer's Disease Treatment (adjunct),2000.0
CHEMBL2218919,C=C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C,1449192,BOTH,0,,2021.0
CHEMBL2219414,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)c(NC(=O)CN5CCCC5)cc(F)c4C[C@H]3C[C@@H]12.Cl.Cl,1449218,MOL,0,,2018.0
CHEMBL2219415,,1449219,NONE,0,,2013.0
CHEMBL2219416,C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OCCOCCOCCOCCOCCOCCOCCOC)CC[C@@]3(O)[C@H]1C5.O=C(O)C(=O)O,1449220,MOL,0,,2014.0
CHEMBL2219418,C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OCCOCCOCCOCCOCCOCCOCCOC)CC[C@@]3(O)[C@H]1C5,1449222,MOL,0,,2014.0
CHEMBL2219425,CCCCCCCCCCCC(=O)OCN1C(=O)CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21,1449229,MOL,0,,2015.0
CHEMBL2219536,COCCO[C@H]1[C@@H](O)[C@H](COP(=O)(O)S[C@H]2[C@H](COP(=O)(O)S[C@H]3[C@H](COP(=O)(O)S[C@H]4[C@H](COP(=O)(O)S[C@H]5[C@@H](OCCOC)[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]5COP(=O)(O)S[C@H]5C[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)(O)S[C@H]5C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)(O)S[C@H]5C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)(O)S[C@H]5C[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)(O)S[C@H]5C[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]5COP(=O)(O)S[C@H]5C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)(O)S[C@H]5C[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)(O)S[C@H]5C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)(O)S[C@H]5C[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]5COP(=O)(O)S[C@H]5C[C@H](n6cnc7c(N)ncnc76)O[C@@H]5COP(=O)(O)S[C@H]5[C@@H](OCCOC)[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)(O)S[C@H]5[C@@H](OCCOC)[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)(O)S[C@H]5[C@@H](OCCOC)[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)(O)S[C@H]5[C@@H](OCCOC)[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)(O)S[C@H]5[C@@H](OCCOC)[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]5CO)O[C@H](n5cc(C)c(N)nc5=O)[C@H]4OCCOC)O[C@H](n4cnc5c(N)ncnc54)[C@H]3OCCOC)O[C@H](n3cc(C)c(N)nc3=O)[C@H]2OCCOC)O[C@@H]1n1cc(C)c(N)nc1=O,1449347,MOL,1,,2013.0
CHEMBL221959,C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12,367860,MOL,0,,2012.0
CHEMBL2219605,,1449416,NONE,0,,
CHEMBL2219640,[Cl-].[Cl-].[Sr+2],1449451,MOL,0,"Antineoplastic; Radioactive Agent,Radioactive Agent",1993.0
CHEMBL2219773,,1449584,NONE,0,,
CHEMBL2220427,CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O)O[C@H](C)C[C@@H]1N(C)C,1450238,MOL,0,Antibacterial,1967.0
CHEMBL2220442,CC(C)n1c(/C=C/C(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21,1450253,MOL,0,Antihyperlipidemic; Inhibitor (HMG-CoA reductase),1993.0
CHEMBL2221249,CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O.CCC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H](CN[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O,1451060,MOL,0,Antibacterial,1962.0
CHEMBL2221250,C[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@H](C2CCNC(=N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC1=O.N=C1NCCC([C@@H]2NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC2=O)N1,1451061,MOL,0,Antibacterial (tuberculostatic),1971.0
CHEMBL2221312,,1451123,NONE,0,,2008.0
CHEMBL22242,CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC,27616,MOL,0,Antipsychotic,1990.0
CHEMBL222559,CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1,372438,MOL,0,,2005.0
CHEMBL222645,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12,371745,MOL,0,Antibacterial,
CHEMBL222813,CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO,373806,MOL,0,Enzyme Inhibitor (influenza virus neuraminidase); Antiviral,1999.0
CHEMBL222863,C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O,372805,MOL,0,,
CHEMBL223228,O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1,374719,MOL,0,,1998.0
CHEMBL223360,Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1,371147,MOL,0,,
CHEMBL224325,Cc1ccc2c(Cl)cc(Cl)c(O)c2n1,373953,MOL,0,,
CHEMBL224436,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O,374015,MOL,0,Antibacterial,
CHEMBL225071,Cc1nc(=O)c2cc(CN(C)c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)ccc2[nH]1,374007,MOL,0,Advanced Colorectal Cancer Treatment (thymidylate synthase inhibitor),
CHEMBL225072,Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1,374008,MOL,0,,2004.0
CHEMBL2251240,Br.CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21.O.O.O,1475158,MOL,0,,
CHEMBL225157,CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1Cl,374248,MOL,0,,
CHEMBL226267,COc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1,378692,MOL,0,,
CHEMBL226345,Nc1ncnc2[nH]cnc12,379069,MOL,0,Anticoagulant (for storage of whole blood); Vitamin,
CHEMBL227529,Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O.O=C(O)c1ccccc1,377715,MOL,0,,2013.0
CHEMBL227875,O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2,378216,MOL,1,,2019.0
CHEMBL229128,Cc1ccccc1OCC(O)CO,380430,MOL,0,,
CHEMBL23,COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1,1278,MOL,0,"Antihypertensive,Vasodilator (coronary)",1982.0
CHEMBL23013,N=C(N)c1ccc(OCCCOc2ccc(C(=N)N)cc2)cc1,28487,MOL,0,,
CHEMBL230158,CCO[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1,384165,MOL,0,,
CHEMBL2303613,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(C)c(CC(=O)O)s3)CS[C@H]12)c1csc(N)n1,1503084,MOL,0,,
CHEMBL2303614,CC(=O)N[C@@H]1[C@@H](COC[C@@H]2O[C@H](C(=O)O)[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](CS(=O)(=O)O)[C@@H](CO)O[C@H]1CO,1503085,MOL,0,,
CHEMBL2303617,C1CCN2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]2C1.O.O.O.O.O.O=S(=O)(O)O,1503088,MOL,0,Oxytocic,
CHEMBL2303621,COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C.Cl.Cl,1503092,MOL,0,,2015.0
CHEMBL2304327,CCC(C)CCCCC(=O)N(CS(=O)(=O)O)[C@@H](CCNCS(=O)(=O)O)C(=O)N[C@@H](CN[C@@H](CCNCS(=O)(=O)O)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CCNCS(=O)(=O)O)NC(=O)[C@H](CCNCS(=O)(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCNCS(=O)(=O)O)NC1=O)[C@@H](C)O,1503778,MOL,0,,
CHEMBL2308885,CCCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)C(=O)C[C@@]21C,1508315,MOL,0,Anti-Inflammatory,
CHEMBL231068,O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1,388819,MOL,1,,2015.0
CHEMBL2311030,CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O.CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CCC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O,1510461,MOL,0,Cognition Adjuvant,1953.0
CHEMBL2311071,C=CCl,1510482,MOL,0,,
CHEMBL2315212,CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].[Mg+2],1514286,MOL,0,,
CHEMBL231616,NC(=S)N/N=C/c1ncccc1N,383750,MOL,0,,
CHEMBL231779,COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1,397524,MOL,0,,2012.0
CHEMBL231813,CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1,394996,MOL,0,,2011.0
CHEMBL231884,COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,393440,MOL,0,,
CHEMBL232201,CCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1,395946,MOL,0,,
CHEMBL2322189,C[C@@H]1O[C@@H]1P(=O)([O-])O.[Na+],1516335,MOL,0,,
CHEMBL2325741,NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,1519923,MOL,0,,
CHEMBL23261,COc1cc(OC)nc(O[C@H](C(=O)O)C(OC)(c2ccccc2)c2ccccc2)n1,30255,MOL,0,,
CHEMBL233406,O=S(=O)([O-])[O-].[Na+].[Na+],394539,MOL,0,Regulator (calcium),1984.0
CHEMBL2336071,CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1,1525737,MOL,0,,2019.0
CHEMBL2338329,Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12,1528018,MOL,0,,
CHEMBL2338675,Nc1nc2c(c(=O)[nH]1)N[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C1(O)O,1528367,MOL,1,,2021.0
CHEMBL23393,CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+],30211,MOL,0,Pharmaceutic Aid (surfactant),
CHEMBL235191,CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1,399340,MOL,0,,
CHEMBL2354444,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1,1531633,MOL,0,,
CHEMBL2354773,,1531962,NONE,0,,
CHEMBL2355051,CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1,1532240,MOL,0,Anti-Estrogen,1967.0
CHEMBL2355333,CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1.Cl.Cl.O,1532522,MOL,0,,
CHEMBL2355456,CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.O=C(O)/C=C/C(=O)O,1532645,MOL,0,,1995.0
CHEMBL2355839,CNC(C)CCC=C(C)C.CNC(C)CCC=C(C)C.O=C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O,1533028,MOL,0,,
CHEMBL2356023,CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](O)CC[C@@H]3C)CCC[C@@]21C,1533212,MOL,0,,
CHEMBL2356097,COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)CCC(=O)O,1533286,MOL,0,,1992.0
CHEMBL235668,N=C1CCCN1Cc1nc(O)nc(O)c1Cl,399292,MOL,0,,2015.0
CHEMBL2358147,CCC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O,1535336,MOL,0,Antipsychotic,1982.0
CHEMBL23588,O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1,29860,MOL,0,Anti-Inflammatory,
CHEMBL2359093,O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c([O-])c(I)cc12.[Na+].[Na+],1536282,MOL,0,,
CHEMBL2359248,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1,1536437,MOL,0,,
CHEMBL2359370,,1536559,NONE,0,,
CHEMBL2359670,CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2.O=C(O)CC(O)C(=O)O.O=C(O)CC(O)C(=O)O,1536859,MOL,0,,1961.0
CHEMBL2359966,C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.O.O.O=S(=O)(O)O,1537155,MOL,0,Antimalarial,2005.0
CHEMBL2360079,CC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O,1537268,MOL,0,Antipsychotic,1961.0
CHEMBL2360464,Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(=O)[nH]1.[Na+].[Na+],1537653,MOL,0,,2004.0
CHEMBL2360580,CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1.Cl.Cl,1537769,MOL,0,,1982.0
CHEMBL2360628,C[n+]1c2cc(N)ccc2cc2ccc(N)cc21.Nc1ccc2cc3ccc(N)cc3nc2c1.[Cl-],1537817,MOL,0,,
CHEMBL2361370,CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1.CC(C)(C)NC[C@H](O)COc1ccccc1C1CCCC1.O=S(=O)(O)O,1538559,MOL,0,,1987.0
CHEMBL2362016,O1[As]2O[As]3O[As]1O[As](O2)O3,1539205,MOL,0,,2000.0
CHEMBL236297,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,398457,MOL,0,Antibacterial (antimycobacterial),
CHEMBL2364574,C[C@H]1c2cccc([O-])c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.C[C@H]1c2cccc([O-])c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.[Ca+2],1540465,MOL,0,Antibacterial; Antiprotozoal,1974.0
CHEMBL2364605,CN(C)[C@]1(c2ccccc2)CC[C@]2(CC1)OCCc1c3cc(F)ccc3[nH]c12,1540477,MOL,0,,
CHEMBL2364607,O=C(O)/C=C/C(=O)O.O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1.O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1,1540479,MOL,0,,2015.0
CHEMBL2364608,Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(Cl)cc(C#N)c3)c2=O)n[nH]c1=O,1540480,MOL,0,,2018.0
CHEMBL2364609,CN[C@]1(c2ccccc2Cl)CCCCC1=O.Cl,1540481,MOL,0,,2019.0
CHEMBL2364612,O=C(CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1)OCCCCO[N+](=O)[O-],1540484,MOL,0,,2017.0
CHEMBL2364617,CC(=O)O.CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O,1540489,MOL,1,,2017.0
CHEMBL2364623,CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3OC(CNCCO)=CC[C@H]3N)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CCN)OC[C@]1(C)O.O=S(=O)(O)O,1540495,MOL,0,,2018.0
CHEMBL2364624,O=C(O)C[C@H]1CC[C@H](c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)cn3)cc2)CC1,1540496,MOL,0,,
CHEMBL2364629,N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F.N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F.O.O.O.O=S(=O)(O)O,1540501,MOL,0,,2020.0
CHEMBL2364632,CON(C)Cc1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O,1540504,MOL,0,,2018.0
CHEMBL2364633,CON(C)Cc1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O.Cl,1540505,MOL,0,,2018.0
CHEMBL2364635,COc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc(NC(C)CCCN)c2n1.O=C(O)CCC(=O)O,1540507,MOL,0,,2018.0
CHEMBL2364637,CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1.CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1.O=C(O)/C=C/C(=O)O,1540509,MOL,0,,2015.0
CHEMBL2364638,C[C@@H]1[C@H](c2ccccc2)C[C@H](NC(=O)c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F,1540510,MOL,0,,2019.0
CHEMBL2364639,COc1cc2c(cc1OC)[C@H]1C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CC2,1540511,MOL,0,,2017.0
CHEMBL2364648,,1540520,SEQ,1,,2017.0
CHEMBL2364649,,1540521,SEQ,0,,2020.0
CHEMBL2364653,,1540525,SEQ,0,,
CHEMBL2364655,,1540527,SEQ,0,,2015.0
CHEMBL2364656,,1540528,SEQ,0,,
CHEMBL2364665,,1540537,NONE,0,,
CHEMBL2364720,CC(Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.[K+],1540558,MOL,0,,
CHEMBL2364738,CC(=O)Nc1c(I)c(C(=O)[O-])c(I)c(N(C)C(C)=O)c1I.CC(=O)Nc1c(I)c(C(=O)[O-])c(I)c(N(C)C(C)=O)c1I.[Mg+2],1540576,MOL,0,,
CHEMBL236593,O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(O)nc3ncccc32)CC1,402280,MOL,0,,
CHEMBL2367706,O=S(=O)(OC[C@H]1O[C@@H](O[C@]2(COS(=O)(=O)O[Al](O)O)O[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]2OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O)O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O,1542157,MOL,0,Anti-Ulcerative (gastrointestinal),1981.0
CHEMBL2368861,CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5.Cl,1543312,MOL,0,Analgesic,1981.0
CHEMBL2368924,CS(=O)(=O)O.O.O=C(O[C@@H]1C[C@@H]2C[C@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12,1543375,MOL,0,Antimigraine; Anti-Emetic,1997.0
CHEMBL2368925,O=C(O[C@@H]1C[C@@H]2C[C@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12,1543376,MOL,0,Antimigraine; Anti-Emetic,1997.0
CHEMBL2374220,COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1nc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5[nH]c([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)ccc2-3)c[nH]1)C(C)C,1548671,MOL,1,,2014.0
CHEMBL237500,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C,399873,MOL,0,,2011.0
CHEMBL2375161,CCCCCc1ccc(/C(C)=C/C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]2C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c3ccccc3N)C(=O)O[C@@H]2C)cc1,1549612,MOL,0,,
CHEMBL238071,CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,401769,MOL,0,,
CHEMBL2386081,O=C(O)Cn1c2c(c3cc(F)ccc31)CN(C(=O)c1cccc3ccccc13)CC2,1562844,MOL,0,,
CHEMBL2387080,Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(C(C)(C)C(N)=O)c4)cc2OCC3)n(C(C)C)n1,1563853,MOL,0,,
CHEMBL2387408,CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(CC(=O)O)CC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1,1564184,MOL,0,,
CHEMBL238804,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1,406189,MOL,0,,2015.0
CHEMBL2391146,CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C,1564715,BOTH,0,,
CHEMBL239129,,404631,NONE,0,,
CHEMBL239243,NCCS(=O)(=O)O,407393,MOL,0,,
CHEMBL2393130,COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1,1566719,MOL,0,,
CHEMBL2396661,Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(C(C)(C)C(F)(F)F)c1,1567700,MOL,0,,2019.0
CHEMBL24,CC(C)NCC(O)COc1ccc(CC(N)=O)cc1,1279,MOL,0,Anti-Adrenergic (beta-receptor),1981.0
CHEMBL240163,C[C@H]1COc2c(C3(N)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,405103,MOL,0,,
CHEMBL2402737,COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F,1570331,MOL,0,,
CHEMBL2403108,Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1,1570706,MOL,0,,2014.0
CHEMBL2403238,C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12,1570837,MOL,0,,2021.0
CHEMBL2403318,Cn1c(C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Br)cn5)n(C)c4c3)CCC2)nc2ccc(/C=C/C(=O)O)cc21,1570918,MOL,0,,
CHEMBL240597,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,404691,MOL,0,Anticholelithogenic,1983.0
CHEMBL240624,COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1,410123,MOL,0,,
CHEMBL24072,CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1,31171,MOL,0,Vasodilator (coronary),
CHEMBL24147,Oc1cccc(O)c1,32978,MOL,0,Keratolytic,
CHEMBL241694,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,407453,MOL,0,,
CHEMBL24171,COc1c2ccoc2cc2oc(=O)ccc12,31196,MOL,0,,
CHEMBL242580,Cc1cc(C2CCCCC2)n(O)c(=O)c1.NCCO,389955,MOL,0,Antifungal,
CHEMBL243712,CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC,389011,MOL,0,,2020.0
CHEMBL2443262,COc1ccsc1CNCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1,1589794,MOL,0,,2020.0
CHEMBL24441,CNCCc1ccccn1,32459,MOL,0,Vasodilator,
CHEMBL2447938,O=[O+][O-],1590086,MOL,0,,
CHEMBL2448612,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21.CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21.O=C(O)C(O)C(O)C(=O)O,1590760,MOL,0,,1948.0
CHEMBL2448613,CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1.CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1.O=C(O)C(O)C(O)C(=O)O,1590761,MOL,0,,2016.0
CHEMBL244888,O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(O)cc1,389718,MOL,0,,
CHEMBL245019,NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O,386756,MOL,0,,
CHEMBL24778,C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F,33307,MOL,0,,2008.0
CHEMBL247951,CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(=O)O,411854,MOL,0,,
CHEMBL24828,COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1,33576,MOL,0,,2011.0
CHEMBL248594,CCCCC1OC(=O)c2ccccc21,416796,MOL,0,,
CHEMBL248702,CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1,421350,MOL,0,Appetite Suppressant (systemic),
CHEMBL24924,O=C1c2ccccc2C(=O)C1c1ccc(F)cc1,33810,MOL,0,,
CHEMBL249420,CCCN[C@@H]1CCc2nc(N)sc2C1,416719,MOL,0,,
CHEMBL24944,O=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O,27105,MOL,0,Disinfectant,
CHEMBL249837,C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12,421082,MOL,0,Antibacterial,1982.0
CHEMBL249856,CSc1ccc(C(=O)c2[nH]c(=O)[nH]c2C)cc1,421520,MOL,0,Cardiotonic,
CHEMBL25,CC(=O)Oc1ccccc1C(=O)O,1280,MOL,0,Analgesic; Antirheumatic; Antipyretic,1950.0
CHEMBL250270,COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1,418487,MOL,0,,
CHEMBL250892,N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O,421077,MOL,0,,
CHEMBL25105,N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2)cc1,28516,MOL,0,,
CHEMBL251634,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,421059,MOL,0,Glucocorticoid,
CHEMBL251940,N#Cc1ccc2c(c1)N(CCCN1CCC(O)CC1)c1ccccc1S2,418410,MOL,0,,
CHEMBL252518,C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4,420212,MOL,0,,
CHEMBL252556,COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O,418736,MOL,0,,
CHEMBL25336,C(=N/NC1=NCCN1)\c1c2ccccc2c(/C=N/NC2=NCCN2)c2ccccc12,28177,MOL,0,,
CHEMBL253371,CCN(CCCc1ccccc1)CCCc1ccccc1,418413,MOL,0,Anticholinergic,
CHEMBL253376,CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1,418419,MOL,0,Expectorant; Mucolytic,
CHEMBL253582,OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,419617,MOL,0,Pharmaceutic Aid (flavor); Pharmaceutic Aid (tablet excipient),
CHEMBL254219,C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O,419508,MOL,0,Cardiotonic,1982.0
CHEMBL254316,Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1,422253,MOL,1,,2007.0
CHEMBL254328,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1,422175,MOL,1,,
CHEMBL254857,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,418438,MOL,0,,
CHEMBL255863,Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1,426660,MOL,0,,2007.0
CHEMBL256087,CC1CCC(C(C)C)C(O)C1,425650,MOL,0,Antipruritic (topical),2008.0
CHEMBL256147,CNC(=N)NCCC[C@H](N)C(=O)O,425372,MOL,0,,
CHEMBL256997,O=C(O)c1cccc(-c2noc(-c3ccccc3F)n2)c1,426110,MOL,0,,
CHEMBL257704,CN(C)CCO/N=C(/C=C/c1ccc(O)cc1)c1ccccc1F,434796,MOL,0,,
CHEMBL258405,O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1ccccc1O,426152,MOL,0,,
CHEMBL258734,CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O,431125,MOL,0,,
CHEMBL258918,C[C@H]1CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C,429213,MOL,0,Androgen,
CHEMBL259209,CCN(CC)C(=O)C1(c2ccccc2)CC1CN,427379,MOL,0,,2009.0
CHEMBL259223,CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O,431765,MOL,0,,
CHEMBL259571,CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O,427670,MOL,0,,
CHEMBL26,CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC,1333,MOL,0,Antidepressant,
CHEMBL260046,Cn1c(COP(=O)(NCCBr)NCCBr)cnc1[N+](=O)[O-],429507,MOL,0,,
CHEMBL260538,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C,431376,MOL,0,,2010.0
CHEMBL261772,C=C1c2c(Cl)ccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12.O=C(O)c1cc(S(=O)(=O)O)ccc1O,430250,MOL,0,Antibacterial,1982.0
CHEMBL262075,CC(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1,433297,MOL,0,,
CHEMBL262135,,321172,NONE,0,,2016.0
CHEMBL262777,CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(N)[C@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O,70140,MOL,0,Antibacterial,1964.0
CHEMBL263198,Nc1c2c(nc3c1CCCC3)CCCC2,219503,MOL,0,,
CHEMBL264241,CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)cc5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)cc2)cc1,84251,MOL,0,,2006.0
CHEMBL264374,CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O,57488,MOL,0,Antihyperlipoproteinemic,
CHEMBL265502,Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)ccc3C)c2)c1,29061,MOL,0,Antineoplastic,
CHEMBL266125,Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1,388891,MOL,0,,
CHEMBL266481,CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O,40542,BOTH,0,Antidiabetic,1998.0
CHEMBL266497,O=C1NC(=O)[C@@]2(CCOc3ccc(F)cc32)N1,2029,MOL,0,Enzyme Inhibitor (aldose reductase),
CHEMBL266510,COc1ccc(Cl)cc1[C@]1(F)C(=O)Nc2cc(C(F)(F)F)ccc21,3103,MOL,0,,
CHEMBL267345,C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2,8873,MOL,0,Antifungal,1964.0
CHEMBL267431,COC[C@]1(OC)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(/C=N/O)cc3)C[C@@]21C,431456,MOL,0,,
CHEMBL267495,CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,438664,MOL,0,,
CHEMBL267648,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21,11474,MOL,0,Antibacterial,
CHEMBL267744,O=C(O)COc1ccc(C(=O)c2cccs2)c(Cl)c1Cl,2819,MOL,0,Diuretic; Uricosuric; Antihypertensive,1979.0
CHEMBL267894,CCC1(CCC(C)C)C(=O)N=C(O)NC1=O,2366,MOL,0,Sedative-Hypnotic,
CHEMBL267936,CNC1(C)C2CCC(C2)C1(C)C,880,MOL,0,Antihypertensive,1956.0
CHEMBL268164,CCC1(C2=CCCCC2)C(=O)NC(=O)NC1=O,2198,MOL,0,,
CHEMBL268869,COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1,2516,MOL,0,,
CHEMBL269732,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,924,MOL,0,Immunosuppressant,1994.0
CHEMBL27,CC(C)NCC(O)COc1cccc2ccccc12,1370,MOL,0,Cardiac Depressant (anti-arrhythmic); Anti-Adrenergic (beta-receptor),1967.0
CHEMBL270190,C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1,435293,MOL,0,,2008.0
CHEMBL270995,Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1,441029,MOL,0,,
CHEMBL271227,CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(c5cccnc5)[C@@]4(C)CC[C@@H]32)C1,438435,MOL,1,,2011.0
CHEMBL27193,C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1,37260,MOL,0,Anti-Adrenergic (beta-receptor); Antihypertensive,1990.0
CHEMBL273264,N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1,7289,MOL,0,Antifihrinolytic; Anticoagulant,
CHEMBL273575,CN1Cc2c(N)cccc2C(c2ccccc2)C1,16225,MOL,0,Antidepressant,1984.0
CHEMBL273862,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1,7427,MOL,0,,
CHEMBL274323,N[C@@H](CC(=O)O)C(=O)O,9311,MOL,0,Amino Acid,
CHEMBL274654,Cc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(C)c1CCC(=O)O,12922,MOL,0,,
CHEMBL276520,c1ccc2c(CCC3CCNCC3)c[nH]c2c1,16580,MOL,0,,
CHEMBL276711,Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1,12911,MOL,0,,
CHEMBL276832,NNc1nncc2ccccc12,8788,MOL,0,Antihypertensive,1953.0
CHEMBL277062,O=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1,16960,MOL,0,Tranquilizer (minor),
CHEMBL277100,CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1,15371,MOL,0,Antibacterial (microbial DNA topoisomerase inhibitor),1992.0
CHEMBL277474,Cc1cc(=O)n(-c2ccccc2)n1C,26820,MOL,0,Analgesic,
CHEMBL277522,O=C(O)CCC(=O)c1ccc(-c2ccccc2)cc1,16456,MOL,0,Anti-Inflammatory,
CHEMBL277535,c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1,16973,MOL,0,Antifungal,
CHEMBL27759,Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1,36237,MOL,0,,
CHEMBL278020,CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1,14126,MOL,0,Cholinergic,2013.0
CHEMBL27810,CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1,36502,MOL,0,Anti-Adrenergic (beta-receptor),
CHEMBL278172,CCOC(=O)c1ccc(N)cc1,16735,MOL,0,Anesthetic (topical),
CHEMBL278398,CN1CCC2=C(C1)C(c1ccccc1)c1ccccc12,30096,MOL,0,,
CHEMBL278623,CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O,22393,MOL,1,,2017.0
CHEMBL278819,Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1,33583,MOL,0,"Antidepressant,Psychotropic",
CHEMBL279229,COc1ccccc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1,33469,MOL,0,,
CHEMBL279516,O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1,33466,MOL,0,Antihypertensive,
CHEMBL279785,CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C,23430,MOL,0,Antineoplastic (matrix metalloproteinase inhibitor),
CHEMBL279816,ClC=C(Cl)Cl,16971,MOL,0,,
CHEMBL281594,Fc1ccc(C(OCCN2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1,24971,MOL,0,,
CHEMBL282042,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1.CS(=O)(=O)O,24418,MOL,0,Antiviral,1995.0
CHEMBL282052,Cc1ccccc1-n1c(C)nc2ccccc2c1=O,22572,MOL,0,Sedative-Hypnotic,
CHEMBL282121,CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1,38293,MOL,0,Relaxant (smooth muscle),
CHEMBL28218,O=C(CCCN1CCC(O)(c2ccc(Br)cc2)CC1)c1ccc(F)cc1,34949,MOL,0,Antipsychotic,
CHEMBL282468,C[N+](C)(C)CCO.[Cl-],33341,MOL,0,,2012.0
CHEMBL282575,C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,39821,MOL,0,,
CHEMBL282686,CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O,33827,MOL,0,,
CHEMBL282724,Cc1cc2c(cc1CC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl)OCO2,23417,MOL,0,,2006.0
CHEMBL28333,CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21,34350,MOL,0,Tranquilizer (minor),
CHEMBL283800,CN(CC(=O)O)C(=N)N,25249,MOL,0,,
CHEMBL284348,Nc1ccncc1,31289,MOL,0,Multiple Sclerosis Symptomatic Treatment,2010.0
CHEMBL284906,O=C(NCCO[N+](=O)[O-])c1cccnc1,37980,MOL,0,Vasodilator (coronary),
CHEMBL285123,N[C@H](CO)C(=O)O,43888,MOL,0,,
CHEMBL285674,Clc1ccc2c(c1)C(c1ccccc1)=NCc1nncn1-2,49847,MOL,0,Sedative-Hypnotic,1990.0
CHEMBL285802,CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21,34266,MOL,0,,
CHEMBL286398,CC(O)CO,42689,MOL,0,Pharmaceutic Aid (humectant); Pharmaceutic Aid (solvent); Pharmaceutic Aid (suspending agent),
CHEMBL286494,Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65,36295,MOL,0,,
CHEMBL288441,COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl,62111,MOL,0,,2010.0
CHEMBL288470,Cc1c(N(C)C)c(=O)n(-c2ccccc2)n1C,60246,MOL,0,,
CHEMBL289228,Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C,56713,MOL,0,,
CHEMBL289469,CN1C2CCCC1CC(NC(=O)c1nn(C)c3ccccc13)C2,54547,MOL,0,Anti-Emetic,1993.0
CHEMBL289480,C1COC(NC(C2CC2)C2CC2)=N1,60422,MOL,0,,
CHEMBL29,CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O,1615,MOL,0,Antibacterial,1947.0
CHEMBL290106,Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O,46656,MOL,0,"Anti-Infective, Topical",
CHEMBL290194,C=CCN1CCCC1CNC(=O)c1cc2nn[nH]c2cc1OC,57186,MOL,0,,
CHEMBL290352,CCSCc1ccc2c(c1)c1c3c(c4c5cc(CSCC)ccc5n5c4c1n2[C@H]1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O,52141,MOL,0,,
CHEMBL290916,CC1=NN(c2ccccc2)C(=O)C1,60371,MOL,1,,2017.0
CHEMBL290960,CC1CS(=O)(=O)CCN1/N=C/c1ccc([N+](=O)[O-])o1,56480,MOL,0,,2020.0
CHEMBL291157,CCn1cc(C(=O)O)c(=O)c2ccc(-c3ccncc3)cc21,60500,MOL,0,Antibacterial,
CHEMBL291338,O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)cc(Cl)c1O,88648,MOL,0,,
CHEMBL291657,C#CCN(c1nc(-c2cc(C)c(OC)cc2Cl)c(C)s1)[C@@H](CC1CC1)c1ccc(C)c(F)c1,102752,MOL,0,,
CHEMBL291962,CC(C)C[C@H](N)C(=O)O,84592,MOL,0,Amino Acid,
CHEMBL29411,Cc1ccc(C(C)C)c(O)c1,38579,MOL,0,Pharmaceutic Aid (stabilizer),
CHEMBL294199,COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O,91783,MOL,0,"Antineuralgic, Specific Pain Syndromes, Topical; Analgesic (topical)",2009.0
CHEMBL295124,COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,66831,MOL,0,,
CHEMBL295698,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1,72036,MOL,0,Antifungal,
CHEMBL296306,OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,76538,MOL,0,Laxative,1976.0
CHEMBL296419,COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1,65605,MOL,0,Antihistaminic; Anti-Allergic,1988.0
CHEMBL296522,COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCCC1C2,61127,MOL,0,,
CHEMBL296913,CCC(=O)[N-]S(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1.[Na+],67050,MOL,0,,
CHEMBL297302,O=C(CCCN1CCC(n2c(O)nc3ccccc32)CC1)c1ccc(F)cc1,65455,MOL,0,Antipsychotic,
CHEMBL297453,O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,67987,MOL,0,,
CHEMBL298359,COC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21,79107,MOL,0,,
CHEMBL298406,CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21,88246,MOL,0,,
CHEMBL298470,COc1cc(C)c2c(Oc3cccc(C(F)(F)F)c3)c(OC)cc(NC(C)CCCN)c2n1,72505,MOL,0,,2018.0
CHEMBL298734,NC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1,84655,MOL,1,,2020.0
CHEMBL299400,O=C(O)C(O)C(O)C(=O)O.Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,76963,MOL,0,Analgesic; Antitussive,1978.0
CHEMBL3,CN1CCC[C@H]1c1cccnc1,115,MOL,0,Smoking Cessation Adjunct,1984.0
CHEMBL30,CN/C(=N/CCSCc1nc[nH]c1C)NC#N,1620,MOL,0,Antagonist (to histamine-H2 receptors),1977.0
CHEMBL30008,Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,38764,MOL,0,Vasodilator,
CHEMBL300138,Cn1cc(C2=C(c3cn(C4CCN(Cc5ccccn5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21,83217,MOL,0,,
CHEMBL30116,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21,37731,MOL,0,,
CHEMBL301265,CCCN[C@H]1CCc2nc(N)sc2C1,88815,MOL,0,"Antidepressant; Antischizophrenic; Dopamine Agonist; Antiparkinsonian,Antiparkinsonian; Antischizophrenic; Dopamine Agonist; Antidepressant",1997.0
CHEMBL301267,CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3,88317,MOL,0,,
CHEMBL301523,N[C@@H](Cc1ccccc1)C(=O)O,84516,MOL,0,Amino Acid,
CHEMBL301742,NC[C@H](CC(=O)O)c1ccc(Cl)cc1,81559,MOL,0,,
CHEMBL30219,C=CCC1(C(C)C#CCC)C(=O)[N-]C(=O)N(C)C1=O.[Na+],38588,MOL,0,Anesthetic (intravenous),1960.0
CHEMBL302795,CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,112102,MOL,0,Anti-Inflammatory,
CHEMBL3039113,CCNC(=O)CC[C@H](N)C(=O)O,1591933,MOL,0,,
CHEMBL303933,Clc1ccc2c(N3CCN(CCCN4CCN(c5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1,105568,MOL,0,,
CHEMBL3039502,C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1,1592320,MOL,0,,2018.0
CHEMBL3039504,CCS(=O)(=O)O.COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1,1592322,MOL,1,,2014.0
CHEMBL3039505,CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2cc[n+]([O-])cc2)cc1.[Na+],1592323,MOL,0,,
CHEMBL3039507,CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,1592325,MOL,0,,
CHEMBL3039508,CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)c1nc(-c2ccccc2)no1.Cc1ccc(S(=O)(=O)O)cc1,1592326,MOL,0,,2017.0
CHEMBL3039511,COc1cc(CNCCC2CCOCC2)ccc1Oc1cnc(C(N)=O)cn1,1592329,MOL,0,,
CHEMBL3039514,COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc3c(c2)O[C@@H](c2ccccc2)n2c-3cc3cc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)ccc32)c[nH]1)C(C)C,1592332,MOL,0,,2016.0
CHEMBL3039515,CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)NCC(=O)O)c3ccccc3)cc2S(=O)(=O)C1,1592333,MOL,0,,
CHEMBL3039520,CN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1,1592338,MOL,1,,2020.0
CHEMBL3039521,CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)NNC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)CC[C@H](NC(=O)c5ccc(NCc6cnc7[nH]c(N)nc(=O)c7n6)cc5)C(=O)O)C(=O)O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,1592339,MOL,0,,
CHEMBL3039526,CN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1.CN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1.O=C(O)CCC(=O)O,1592344,MOL,0,,2020.0
CHEMBL3039528,CN1CCN([C@@H]2C[C@@H](c3ccccc3)c3ccc(Cl)cc32)CC1(C)C,1592346,MOL,0,,
CHEMBL3039529,C#Cc1cnc2nc(O)n(C(CC)CC)c2n1,1592347,MOL,0,,
CHEMBL3039533,C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(=O)NS(=O)(=O)C1CC1.O,1592351,MOL,0,,
CHEMBL3039537,,1592355,SEQ,1,,2015.0
CHEMBL3039538,,1592356,SEQ,0,,
CHEMBL3039540,,1592358,SEQ,0,,
CHEMBL3039544,,1592362,SEQ,0,,
CHEMBL3039545,,1592363,SEQ,1,,2019.0
CHEMBL3039547,,1592365,NONE,0,,
CHEMBL3039550,,1592368,NONE,0,,
CHEMBL3039558,,1592376,NONE,0,,
CHEMBL3039561,,1592379,NONE,0,,
CHEMBL3039564,,1592382,NONE,0,,
CHEMBL3039566,,1592384,NONE,0,,2013.0
CHEMBL3039567,O.O=P(O)(O)OCC([O-])C[O-].[Na+].[Na+],1592385,MOL,0,,2014.0
CHEMBL3039582,CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@H](C(N)=O)C(C)C,1592393,BOTH,0,,2002.0
CHEMBL3039583,NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O,1592394,BOTH,1,,2012.0
CHEMBL3039588,NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O.N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CC(=O)O)C(=O)O,1592399,BOTH,0,,2012.0
CHEMBL3039594,CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C(C)N)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.O=S(=O)(O)O,1592405,MOL,0,Antibacterial,1970.0
CHEMBL3039596,CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-])C(C)C.[Na+],1592407,MOL,0,Antihypertensive; Enzyme Inhibitor (angiotensin-converting),1991.0
CHEMBL3039597,CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C(C)N)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O.CN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H](N)C[C@H]2N)OC[C@]1(C)O,1592408,MOL,0,Antibacterial,1970.0
CHEMBL3039598,CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C,1592409,MOL,0,Antihypertensive; Enzyme Inhibitor (angiotensin-converting),1991.0
CHEMBL304902,CN1CCN(C2=Nc3ccccc3Sc3ccc(Cl)cc32)CC1,103542,MOL,0,Antipsychotic,
CHEMBL305187,CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1,104385,MOL,0,,
CHEMBL305660,CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1,111060,MOL,0,Antihistaminic,
CHEMBL305906,CCCCCCCCCCCCCCCC[n+]1ccccc1,114108,MOL,0,"Anti-Infective, Topical; Pharmaceutic Aid (preservative)",
CHEMBL306043,,113247,NONE,0,,
CHEMBL306700,CCOc1ccccc1OCC1CNCCO1,114406,MOL,0,Antidepressant,2021.0
CHEMBL306823,O=C([O-])C(Cl)Cl.[Na+],115554,MOL,0,,
CHEMBL307145,Oc1cccc(O)c1O,120669,MOL,0,,
CHEMBL308148,CC(=O)NC1(c2ccccc2)CCN(CC[C@H](CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1,115369,MOL,0,,
CHEMBL3084748,O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1.[Cl-],1594639,MOL,0,,2004.0
CHEMBL3085436,NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@H]([C@H]2C[C@H](O)NC(N)=N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O,1595327,MOL,0,,1982.0
CHEMBL3085504,Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1.O=S(=O)(O)O,1595395,MOL,0,,1973.0
CHEMBL308954,Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br,113138,MOL,0,,2008.0
CHEMBL3099695,N#Cc1ccc([C@H]2CCc3cncn32)c(F)c1,1610476,MOL,1,,2020.0
CHEMBL31,COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,1712,MOL,0,Antibacterial,1999.0
CHEMBL310671,O=C1NS(=O)(=O)c2ccccc21,129777,MOL,0,Pharmaceutic Aid (flavor),
CHEMBL3112741,O=C(NC1CCNCC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O,1615692,MOL,0,,2019.0
CHEMBL311498,Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2,128555,MOL,0,,1977.0
CHEMBL312443,Oc1noc2c1CCNC2,132234,MOL,0,,
CHEMBL312448,Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1,114810,MOL,0,Adrenergic (vasoconstrictor),
CHEMBL3126004,C[C@H](NP(=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O)Oc1ccccc1)C(=O)OCc1ccccc1,1622615,MOL,0,,
CHEMBL3126842,COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C3CCC1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21,1623461,MOL,0,,
CHEMBL3127326,COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@H]2CC[C@@H](c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)cc3)N2c2ccc(C(C)(C)C)cc2)cc1)C(C)C,1623950,MOL,0,,2014.0
CHEMBL313006,CCC(CC)CC1(C(=O)Nc2ccccc2SC(=O)C(C)C)CCCCC1,140637,MOL,0,,
CHEMBL3137301,CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O,1626732,MOL,1,,2015.0
CHEMBL3137308,NC(=O)c1cnc2[nH]ccc2c1N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2,1626739,MOL,0,,
CHEMBL3137309,CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1,1626740,MOL,1,,2016.0
CHEMBL3137310,COc1ccc2c3c1O[C@H]1C(OC(=O)c4ccccc4)=CC[C@@H]4[C@@H](C2)N(C)CC[C@@]341.Cl,1626741,MOL,0,,2018.0
CHEMBL3137312,COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C,1626743,MOL,0,,2014.0
CHEMBL3137314,CC#CC[C@H](C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)O)c3O[C@H]2C[C@H]1O,1626745,MOL,0,,
CHEMBL3137317,Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1.O=P(O)(O)O.O=P(O)(O)O,1626748,MOL,0,,2015.0
CHEMBL3137318,Cc1ccc(S(=O)(=O)O)cc1.Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1,1626749,MOL,0,,2018.0
CHEMBL3137320,Cn1ncnc1[C@H]1c2n[nH]c(=O)c3cc(F)cc(c23)N[C@@H]1c1ccc(F)cc1,1626751,MOL,0,,2018.0
CHEMBL3137321,COc1ccc2c3c1O[C@H]1C(OC(=O)c4ccccc4)=CC[C@@H]4[C@@H](C2)N(C)CC[C@@]341,1626752,MOL,0,,2018.0
CHEMBL3137322,O[C@H]([C@@H]1CO1)[C@@H](O)[C@H]1CO1,1626753,MOL,0,,
CHEMBL3137323,Cl.O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(Cl)c2s1,1626754,MOL,0,,
CHEMBL3137326,[2H]C([2H])([2H])Oc1cc2c(cc1OC([2H])([2H])[2H])C1CC(=O)C(CC(C)C)CN1CC2,1626757,MOL,0,,2017.0
CHEMBL3137327,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O.CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O.CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,1626758,MOL,0,,2014.0
CHEMBL3137330,C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c([O-])c3C(=O)N12.[Na+],1626761,MOL,0,,2021.0
CHEMBL3137332,Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)cc1C(F)(F)F,1626763,MOL,0,,
CHEMBL3137333,CNCC(=O)OCc1cccnc1N(C)C(=O)OC(C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1.O=S(=O)([O-])O,1626764,MOL,0,,2015.0
CHEMBL3137341,,1626775,NONE,0,,
CHEMBL3137342,,1626776,SEQ,1,,2015.0
CHEMBL3137343,,1626777,SEQ,1,,2014.0
CHEMBL3137349,,1626783,SEQ,0,,
CHEMBL3137353,,1626787,SEQ,0,,
CHEMBL3137355,,1626789,NONE,0,,
CHEMBL3137358,COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)[N-]S(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C.[Na+],1626792,MOL,0,,2013.0
CHEMBL3137685,,1627018,NONE,0,,
CHEMBL3137691,CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@@H](C)[C@@H](C(C)C)OC(=O)[C@@H]12.CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)[C@H](CS[C@@H]3CN4CCC3CC4)CN2C(=O)[C@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O,1627024,MOL,0,,
CHEMBL313971,COc1cc(CNC(=O)CCCC/C=C\C(C)C)ccc1O,141088,MOL,0,Analgesic (topical),
CHEMBL313972,C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1,144744,MOL,0,,1992.0
CHEMBL3140361,CC[C@@H](CO)NCCN[C@@H](CC)CO.Cl.Cl,1629652,MOL,0,,1967.0
CHEMBL3140370,CN1CCN(CCCCN2C(=O)CN(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)CC1.Cl.Cl,1629661,MOL,0,,
CHEMBL31422,Cc1occc(=O)c1O,42577,MOL,0,,
CHEMBL3142541,CCCCOC(=O)c1ccc(N)cc1.CCCCOC(=O)c1ccc(N)cc1.O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1,1631832,MOL,0,,
CHEMBL314437,CCC1(c2cccc(O)c2)CCCCN(C)C1,139237,MOL,0,Analgesic,
CHEMBL314854,CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1,144940,MOL,1,,2010.0
CHEMBL315795,Cc1ncsc1CCCl,139608,MOL,0,,
CHEMBL315838,COc1ccc(C(=O)Nc2ccccc2CCC2CCCCN2C)cc1,139046,MOL,0,Cardiac Depressant (anti-arrhythmic),1986.0
CHEMBL315985,NC(=O)N1c2ccccc2C[C@H](O)c2ccccc21,139782,MOL,0,,
CHEMBL316561,CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1,153476,MOL,0,Anticholinergic,
CHEMBL317052,CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,162546,MOL,0,,2008.0
CHEMBL317094,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)N(C)C[C@H]1C(=O)O,164680,MOL,0,,
CHEMBL3181832,COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+],1671123,MOL,0,,1982.0
CHEMBL3181841,Cl.Cn1cc(C(=O)[C@@H]2CCc3[nH]cnc3C2)c2ccccc21,1671132,MOL,0,,
CHEMBL3181870,Cc1ncc(COP(=O)(O)O)c(C=O)c1O.O,1671161,MOL,0,,
CHEMBL3181957,C=CCNc1nc(NCC=C)nc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1.CS(=O)(=O)O.CS(=O)(=O)O,1671248,MOL,0,,
CHEMBL3182314,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)[O-])cc1.O.O.O.O.[Na+],1671605,MOL,0,,
CHEMBL3182320,C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(OCCO)c(OCCO)c4)oc4cc(OCCO)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,1671611,MOL,0,,
CHEMBL3182343,CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1(C)C,1671634,MOL,0,,
CHEMBL3182733,CCCN[C@H]1CCc2nc(N)sc2C1.Cl.Cl.O,1672024,MOL,0,,1997.0
CHEMBL3183075,CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1,1672366,MOL,0,,1988.0
CHEMBL3183184,CCCCC(CC)COC(=O)C=Cc1ccc(OC)cc1,1672475,MOL,0,,1992.0
CHEMBL3183193,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1.CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@H]12)c1csc(N)n1.Cl,1672484,MOL,0,Antibacterial,1987.0
CHEMBL3183409,CNC(=O)c1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F,1672700,MOL,0,,2018.0
CHEMBL3183453,CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C.[Na+],1672744,MOL,0,Antibacterial,1964.0
CHEMBL3183549,CC(=C(CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N,1672840,MOL,0,,
CHEMBL3183968,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(=O)c([O-])nn3C)CS[C@H]12)c1csc(N)n1.O.O.O.[Na+].[Na+],1673259,MOL,0,,1984.0
CHEMBL3184143,N=C(N)NCC1COC2(CCCCC2)O1.N=C(N)NCC1COC2(CCCCC2)O1.O=S(=O)(O)O,1673434,MOL,0,,1982.0
CHEMBL3184437,OCc1ccc(Cl)cc1Cl,1673728,MOL,0,,
CHEMBL3184512,CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)N(C)C1,1673803,MOL,0,Antibacterial,1972.0
CHEMBL3184791,CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](N=C(N)N)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](N=C(N)N)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O,1674082,MOL,0,,1946.0
CHEMBL3184799,CNC(C)(C)Cc1ccccc1.CNC(C)(C)Cc1ccccc1.O=S(=O)(O)O,1674090,MOL,0,,1951.0
CHEMBL3184906,CC=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1.O,1674197,MOL,0,Antibacterial,1991.0
CHEMBL3184986,CC(=O)[O-].CC(=O)[O-].O.O.[Zn+2],1674277,MOL,0,,
CHEMBL3185229,O.O.O.O.O.O.[Cl-].[Cl-].[Mg+2],1674520,MOL,0,,
CHEMBL3185958,CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,1675249,MOL,0,Anti-Estrogen,1967.0
CHEMBL3186011,COCC1(CO)C(=O)C2CCN1CC2,1675302,MOL,0,,
CHEMBL3186492,Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl.O.O,1675783,MOL,0,,1991.0
CHEMBL3186534,N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CCCC1,1675825,MOL,0,,
CHEMBL3186849,O=C(O)CCCCC(CCSCc1ccccc1)SCc1ccccc1,1676140,MOL,0,,
CHEMBL3186993,Cl.Cl.OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,1676284,MOL,0,,1956.0
CHEMBL3187246,CN(C)CCN(Cc1cccs1)c1ccccn1.CN(C)CCN(Cc1cccs1)c1ccccn1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O,1676537,MOL,0,,
CHEMBL3187365,CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1,1676656,MOL,0,,2009.0
CHEMBL3187723,Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)NOCCO)cc21,1677014,MOL,0,,2018.0
CHEMBL3188034,Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1.Cl.O,1677325,MOL,0,,1983.0
CHEMBL3188267,CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F,1677558,MOL,0,,2020.0
CHEMBL3188339,C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69.[Cl-].[Cl-],1677630,MOL,0,,
CHEMBL3188576,CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)CO)O[C@@H](CO)[C@H](O)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O,1677867,MOL,0,Antibacterial,
CHEMBL3188993,O=C(O)/C=C/C(=O)O.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1.OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,1678284,MOL,0,,1997.0
CHEMBL3189072,CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O.Cl.O,1678363,MOL,0,,1998.0
CHEMBL319144,O=P(O)(O)C(O)(Cc1cnc2ccccn12)P(=O)(O)O,161549,MOL,0,,
CHEMBL31965,C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1,41764,MOL,0,,
CHEMBL319669,CONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)cc3)o2)cc1,167324,MOL,0,,
CHEMBL32,COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12,1788,MOL,0,,1999.0
CHEMBL320775,Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1,183333,MOL,0,,
CHEMBL3215298,CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O,1704075,MOL,0,Antiparasitic,
CHEMBL3218576,COc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21,1724957,MOL,1,,2017.0
CHEMBL3233142,CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12.Cc1ccc(S(=O)(=O)O)cc1,1731642,MOL,0,,2019.0
CHEMBL3237547,O=C1N[C@H](O)CCN1[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F,1736091,MOL,0,,2020.0
CHEMBL3244648,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1.[Na+].[Na+],1737244,MOL,0,,1953.0
CHEMBL32479,Cc1nnc2n1-c1sc(Br)cc1C(c1ccccc1Cl)=NC2,47006,MOL,0,Sedative-Hypnotic,
CHEMBL325041,CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O,187372,MOL,1,,2003.0
CHEMBL325109,COc1cc(N)c(Cl)cc1C(=O)NC1CCN(Cc2ccccc2)CC1,182814,MOL,0,Anti-Emetic,
CHEMBL3261331,CC(C)c1cc(Oc2c(Cl)cc(-n3nc(C#N)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O,1746288,MOL,0,,
CHEMBL32800,CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1,49226,MOL,0,Bronchodilator,
CHEMBL328190,Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1,162444,MOL,0,,
CHEMBL328560,NS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1,151273,MOL,0,Anticonvulsant,
CHEMBL3286580,Fc1ccc2c(CCNCc3cccc(OCC(F)(F)C(F)F)c3)c[nH]c2c1,1757098,MOL,0,,
CHEMBL3286830,C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)c2ccc(F)cc21,1757351,MOL,0,,2018.0
CHEMBL3291398,C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2CC[C@@H](N)C[C@H]2O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O,1761965,MOL,0,,2019.0
CHEMBL329522,O=C(c1cc(O)c(O)c(O)c1)c1ccc(O)c(O)c1O,163172,MOL,0,,
CHEMBL33,C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,1795,MOL,0,Antibacterial,1996.0
CHEMBL3301572,,1763534,NONE,1,,
CHEMBL3301573,,1763535,NONE,0,,
CHEMBL3301574,,1763536,NONE,0,,
CHEMBL3301576,,1763538,NONE,0,,
CHEMBL3301581,,1763543,SEQ,0,,2017.0
CHEMBL3301582,,1763544,SEQ,1,,2019.0
CHEMBL3301583,,1763545,SEQ,0,,
CHEMBL3301587,,1763549,SEQ,0,,2017.0
CHEMBL3301589,,1763551,SEQ,1,,2019.0
CHEMBL3301592,,1763554,NONE,0,,2018.0
CHEMBL3301594,COc1cnc(-n2cnc(C)n2)c2c1c(C(=O)C(=O)N1CCN(C(=O)c3ccccc3)CC1)cn2COP(=O)(O)O,1763556,MOL,1,,2020.0
CHEMBL3301595,N[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,1763557,MOL,0,,
CHEMBL3301597,,1763559,NONE,0,,2014.0
CHEMBL3301598,COc1cnc(-n2cnc(C)n2)c2c1c(C(=O)C(=O)N1CCN(C(=O)c3ccccc3)CC1)cn2COP(=O)(O)O.NC(CO)(CO)CO,1763560,MOL,1,,2020.0
CHEMBL3301601,CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)CS1(=O)=O,1763563,MOL,0,,
CHEMBL3301603,CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1.CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1.O=C(O)/C=C/C(=O)O,1763565,MOL,0,,2018.0
CHEMBL3301604,O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1,1763566,MOL,0,,
CHEMBL3301605,O.O=C(NC1CCNCC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O,1763567,MOL,0,,2019.0
CHEMBL3301607,O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1,1763569,MOL,0,,
CHEMBL3301610,CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1,1763572,MOL,0,,2017.0
CHEMBL3301611,Nc1ccncc1N.O=P(O)(O)O,1763573,MOL,0,,2018.0
CHEMBL3301612,COC(=O)N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1,1763574,MOL,0,,2018.0
CHEMBL3301621,c1ccc2cc([C@]34CNC[C@H]3C4)ccc2c1,1763583,MOL,0,,
CHEMBL3301622,CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1,1763584,MOL,0,,2018.0
CHEMBL3301624,CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](C)NC1=O,1763586,BOTH,1,,2020.0
CHEMBL3301627,CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1.Cl.Cl,1763589,MOL,0,,2019.0
CHEMBL3301650,CN[C@H]1C(=O)N[C@@H]2Cc3ccc(cc3)Oc3cc4cc(c3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc(O)cc1[C@@H](C(=O)NCCCN(C)C)NC3=O.Cl,1763612,MOL,0,,2014.0
CHEMBL3301668,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,1763639,MOL,0,,
CHEMBL3301669,CN[C@H]1C(=O)N[C@@H]2Cc3ccc(cc3)Oc3cc4cc(c3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3NC(=O)CCCCCCCCC(C)C)Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc(O)cc1[C@@H](C(=O)NCCCN(C)C)NC3=O,1763640,MOL,0,,2014.0
CHEMBL3301670,CN(C)CC(C)(C)OC(=O)C(O)(c1ccccc1)c1ccccc1.Cl,1763641,MOL,0,,
CHEMBL3301672,CCCCCC/C=C\CCCCCCCCCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)([O-])[O-])[C@H](NC(=O)CC(=O)CCCCCCCCCCC)[C@@H](OCCCCCCCCCC)[C@@H]2O)O[C@H](COC)[C@@H](OP(=O)([O-])[O-])[C@@H]1OCC[C@@H](CCCCCCC)OC.[Na+].[Na+].[Na+].[Na+],1763643,MOL,0,,
CHEMBL3301675,C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)CSSC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC3=O)C(=O)N2,1763646,BOTH,1,,2012.0
CHEMBL3301678,CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC.CCCCCCCC(=O)OCC(O)CO.CCCCCCCCCC(=O)OCC(O)CO.OCC(O)CO,1763649,MOL,0,Anticholelithic (dissolution of gallstones),1985.0
CHEMBL3301680,CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]5C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c5cc(O)c(CNCP(=O)(O)O)c(O)c5-c5cc3ccc5O)[C@H](O)c3ccc(c(Cl)c3)O4)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@@H](C)[C@H]1O.Cl,1763651,MOL,0,,2009.0
CHEMBL3301800,CC=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1,1763771,MOL,0,Antibacterial,1991.0
CHEMBL3304485,CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1,1766456,MOL,1,,2019.0
CHEMBL3304486,CN(C)CC(C)(C)OC(=O)C(O)(c1ccccc1)c1ccccc1,1766457,MOL,0,,
CHEMBL3305985,C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69,1767956,MOL,0,,
CHEMBL3306803,CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12,1768774,MOL,0,,2019.0
CHEMBL3311228,O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1,1780336,MOL,0,,
CHEMBL3317856,O=c1ccc2ncc(=O)n3c2n1C[C@H]3CN1CCC(NCc2cc3c(cn2)OCCC3)CC1,1782495,MOL,0,,
CHEMBL3317857,O=C(O)C[C@@H]1CC[C@H](NC(=O)Cc2cccs2)B(O)O1,1782496,MOL,0,,2017.0
CHEMBL3318007,O=C(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,1782648,MOL,0,,
CHEMBL332750,CCOc1ccc(-c2nc(-c3cccc(C(=O)O)n3)cs2)cc1OCC,197090,MOL,0,,
CHEMBL3334567,C[C@@H](c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21,1790692,MOL,0,,
CHEMBL333826,Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21,192290,MOL,0,,
CHEMBL333950,C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)OCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O,195734,MOL,0,,
CHEMBL334533,CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@H]1CC=C(CO)C[C@H]21,221361,MOL,0,,
CHEMBL334830,O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1cccn12,219259,MOL,0,,
CHEMBL3348963,CCOC(=O)[C@@H](N)Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1.O=C(O)CNC(=O)c1ccccc1,1797574,MOL,0,,2017.0
CHEMBL334966,CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]1O,217548,MOL,0,,2015.0
CHEMBL3351077,NC(=O)c1cc[n+](CC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)[C@@H](c4ccccc4)S(=O)(=O)[O-])[C@H]3SC2)cc1,1799684,MOL,0,,
CHEMBL3353410,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,1817518,MOL,0,,2015.0
CHEMBL3358920,O=C(O)C[C@H]1CCc2c1[nH]c1ccc(OCc3ccc(C4CCCC4)c(C(F)(F)F)c3)cc21,1823083,MOL,0,,
CHEMBL336296,O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1,216457,MOL,0,,
CHEMBL33864,O=C(O)CCCCC1CCSS1,46958,MOL,0,,
CHEMBL338802,NC(N)=NS(=O)(=O)c1ccc(N)cc1,204090,MOL,0,,
CHEMBL338975,CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C.O=C(O)c1ccccc1O,200958,MOL,0,Cholinergic (ophthalmic),
CHEMBL3391662,Cc1cnc(C(=O)N[C@H]2CCCCC/C=C\[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5ccccc5c5ccccc45)CN3C2=O)cn1,1825632,MOL,0,,2014.0
CHEMBL3392049,[O-]n1ccccc1=S.[O-]n1ccccc1=S.[Zn+2],1826000,MOL,0,,1986.0
CHEMBL339427,COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C,203627,MOL,0,Neuromuscular Blocking Agent,1945.0
CHEMBL33986,Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3,45838,MOL,0,Analgesic; Antitussive,1978.0
CHEMBL3400972,N[C@@H](Cc1cc(O)c(O)cc1[18F])C(=O)O,1831168,MOL,0,,2019.0
CHEMBL3402762,CN1CCC(COc2cnc(-c3cccc(Cn4nc(-c5cccc(C#N)c5)ccc4=O)c3)nc2)CC1,1832976,MOL,0,,2021.0
CHEMBL340978,CC(C(=O)O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1,219327,MOL,0,Analgesic; Anti-Inflammatory,1982.0
CHEMBL3414621,CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,1837803,MOL,1,,2020.0
CHEMBL341812,CC(C)Cc1ccc(CC(=O)O)cc1,228897,MOL,0,Analgesic; Anti-Inflammatory,
CHEMBL34259,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,49931,MOL,0,Antineoplastic,1953.0
CHEMBL343448,C/C=C1\NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O,246935,MOL,0,,2009.0
CHEMBL344159,Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cc(Cl)ccc32)c(C)c1,227437,MOL,0,,2009.0
CHEMBL345524,O=C(OCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc12,254983,MOL,0,,
CHEMBL345714,Cc1cnc(C(=O)O)c[n+]1[O-],255548,MOL,0,,
CHEMBL346235,CCN(CC)CCOc1ccc2nc(N(C)C)sc2c1.Cl.Cl,255981,MOL,0,,
CHEMBL346977,CC(CN1c2ccccc2Sc2ccc(S(=O)(=O)N(C)C)cc21)N(C)C,264669,MOL,0,Serotonin Inhibitor,
CHEMBL348475,COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2,259664,MOL,0,,
CHEMBL349803,NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1,258666,MOL,0,Diuretic,
CHEMBL35,NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl,2046,MOL,0,Diuretic,1966.0
CHEMBL350221,N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O,262631,MOL,0,,
CHEMBL350719,CCC(=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1,266284,MOL,0,,
CHEMBL35228,COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1,51003,MOL,0,,
CHEMBL354077,Nc1ccncc1N,282661,MOL,0,,2018.0
CHEMBL3544906,C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1.Cl,1926755,MOL,0,,1960.0
CHEMBL3544907,,1926756,NONE,0,,
CHEMBL3544908,CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O,1926757,MOL,0,Antihistaminic,1977.0
CHEMBL3544909,C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O.O,1926758,MOL,0,Regulator (calcium),1980.0
CHEMBL3544910,,1926759,NONE,0,,
CHEMBL3544913,NC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cc2)N1,1926762,MOL,0,,
CHEMBL3544914,CC(C)(CO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2n1C[C@@H](O)CO,1926763,MOL,0,,2018.0
CHEMBL3544916,Nc1ncn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O)[C@@H](CO)O2)c(=O)n1,1926765,MOL,0,,
CHEMBL3544917,C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O,1926766,BOTH,0,,
CHEMBL3544921,,1926770,SEQ,1,,2017.0
CHEMBL3544926,,1926775,SEQ,0,,2016.0
CHEMBL3544954,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CCCC(=O)NCCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,1926803,MOL,0,,
CHEMBL3544956,,1926805,NONE,0,,
CHEMBL3544971,C[C@H](N)Cc1ccccc1.C[C@H](N)Cc1ccccc1.O=S(=O)(O)O,1926820,MOL,0,Stimulant (central),1960.0
CHEMBL3544973,CC(=O)O.CCO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@H]12)c1nsc(NP(=O)(O)O)n1.O,1926822,MOL,0,,2010.0
CHEMBL3544974,CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1.O=C(O)/C=C\C(=O)O,1926823,MOL,0,,2009.0
CHEMBL3544978,C[C@@H]1O[C@H](C)CN2c3c(cc4c(N5C(=O)OC[C@@H]5C)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@@H]12,1926827,MOL,0,,
CHEMBL3544981,NCCCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)c2cc([N+](=O)[O-])ccc2OCC[C@@H](C(=O)NCC(=O)O)NC1=O,1926830,MOL,0,,
CHEMBL3544983,COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@@H]1C[C@@H]2CN(C)C[C@@H]2C1,1926832,MOL,0,,
CHEMBL3544984,O=C(c1ccccc1Cl)c1cccnc1-c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccncc1,1926833,MOL,0,,
CHEMBL3544985,COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[n-]c2=O)cc1C(C)(C)C.O.[Na+],1926834,MOL,0,,2014.0
CHEMBL3544986,CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC.N=C(N)NCCC[C@H](N)C(=O)O,1926835,MOL,0,,2015.0
CHEMBL3544988,O=C(O)CNC(=O)C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O,1926837,MOL,0,,
CHEMBL3544993,,1926842,NONE,0,,
CHEMBL3544994,,1926843,NONE,0,,
CHEMBL3544996,,1926845,SEQ,1,,2015.0
CHEMBL3545021,,1926870,NONE,0,,
CHEMBL3545026,,1926875,NONE,0,,
CHEMBL3545043,CC(C)Oc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ncco4)c(OCC(=O)O)c3)CC2)cc1,1926892,MOL,0,,
CHEMBL3545057,CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6CC[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O,1926906,MOL,0,,1982.0
CHEMBL3545058,N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-].O.[Na+],1926907,MOL,0,Antihyperlipidemic,1967.0
CHEMBL3545059,COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC.O=C(O)/C=C/C(=O)O,1926908,MOL,1,,2007.0
CHEMBL3545060,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.O=C(O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,1926909,MOL,0,Antibacterial,1982.0
CHEMBL3545061,CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)[C@@H](C)CC)C(C)C,1926910,BOTH,0,,
CHEMBL3545062,COC[C@H]1C[C@@H](c2nc(-c3ccc4c(c3)COc3cc5c(ccc6nc([C@@H]7CC[C@H](C)N7C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c65)cc3-4)c[nH]2)N(C(=O)[C@H](NC(=O)OC)c2ccccc2)C1,1926911,MOL,0,,2016.0
CHEMBL3545063,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C.CS(=O)(=O)O,1926912,MOL,0,,2015.0
CHEMBL3545068,COc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21.Cl.Cl,1926917,MOL,1,,2017.0
CHEMBL3545069,,1926918,NONE,0,,
CHEMBL3545070,,1926919,SEQ,0,,
CHEMBL3545110,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1,1926959,MOL,1,,2017.0
CHEMBL3545123,COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2cc([C@H]3CC[C@H](c4cc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)[nH]c5cc4F)N3c3cc(F)c(N4CCC(c5ccc(F)cc5)CC4)c(F)c3)c(F)cc2[nH]1)[C@@H](C)OC,1926972,MOL,0,,2017.0
CHEMBL3545125,CCC1=C[C@@H]2[C@H](C1)C[C@]2(CN)CC(=O)O,1926974,MOL,0,,
CHEMBL3545128,,1926977,NONE,0,,
CHEMBL3545130,,1926979,NONE,0,,
CHEMBL3545131,,1926980,SEQ,0,,2020.0
CHEMBL3545132,,1926981,SEQ,0,,
CHEMBL3545166,CS(=O)(=O)N(c1cc(F)cc(F)c1)C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1,1927015,MOL,0,,
CHEMBL3545181,C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21.O.[Br-],1927030,MOL,0,,2004.0
CHEMBL3545184,CC(=O)N[C@H](CSSC[C@H](N)C(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C)C(=O)N[C@H](CCCNC(=N)N)C(N)=O,1927033,BOTH,0,,2017.0
CHEMBL3545185,O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnccn1,1927034,MOL,1,,2019.0
CHEMBL3545186,Cc1cc2c(CCc3sc(-c4ccc(C(F)(F)F)cc4)nc3C(C)C)noc2cc1OCC(=O)O,1927035,MOL,0,,
CHEMBL3545188,NCCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2C[C@H](OC(=O)NCCN)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC1=O.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,1927037,MOL,0,,2014.0
CHEMBL3545189,,1927038,SEQ,0,,2018.0
CHEMBL3545190,,1927039,SEQ,0,,
CHEMBL3545191,,1927040,SEQ,1,,2021.0
CHEMBL3545235,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CC2(CC2)C2(C1)OCCO2,1927084,MOL,0,,
CHEMBL3545252,CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C.O.O.O,1927101,MOL,0,Antineoplastic,1996.0
CHEMBL3545253,[18F]c1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1,1927102,MOL,0,,2020.0
CHEMBL3545254,CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@]4(C)[C@H]3CC[C@@]21C,1927103,MOL,0,,
CHEMBL3545262,,1927111,SEQ,1,,2020.0
CHEMBL3545306,,1927155,NONE,0,,2014.0
CHEMBL3545308,C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2C(F)(F)F)c1,1927157,MOL,0,,
CHEMBL3545309,C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2CC[C@@H](N)C[C@H]2O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O.CC(=O)O,1927158,MOL,0,,2019.0
CHEMBL3545311,COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1,1927160,MOL,0,,2017.0
CHEMBL3545313,CC(C)(CCCCCC(O)CCCCCC(C)(C)C(=O)O)C(=O)O,1927162,MOL,1,,2020.0
CHEMBL3545314,CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O)C(C)C,1927163,BOTH,0,,
CHEMBL3545318,,1927167,NONE,0,,
CHEMBL3545348,,1927197,NONE,0,,
CHEMBL3545363,CC(C)(C)[C@@H]1NC(=O)O[C@@H]2CCC[C@H]2OC/C=C/C(F)(F)c2nc3ccccc3nc2O[C@@H]2C[C@@H](C(=O)N[C@]3(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]3C(F)F)N(C2)C1=O,1927212,MOL,0,,2017.0
CHEMBL3545367,Cc1ncc(OC[C@@]2(c3cccc(F)c3)C[C@H]2C(=O)Nc2ccc(F)cn2)c(C)n1,1927216,MOL,0,,2020.0
CHEMBL3545368,CC(O)C(=O)O.Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1,1927217,MOL,0,,2015.0
CHEMBL3545369,NS(=O)(=O)NCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1,1927218,MOL,0,,
CHEMBL3545376,COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1,1927225,MOL,1,,2019.0
CHEMBL3545393,,1927242,NONE,0,,
CHEMBL3545407,O=[N+]([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O,1927256,MOL,0,,
CHEMBL354541,O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1,282991,MOL,1,,2012.0
CHEMBL3545411,,1927260,NONE,0,,
CHEMBL3545412,,1927261,NONE,0,,
CHEMBL3545413,Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,1927262,MOL,0,,
CHEMBL3545414,CS(=O)(=O)O.N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CCCC1,1927263,MOL,0,,
CHEMBL3545415,,1927264,NONE,0,,
CHEMBL3545427,,1927276,NONE,0,,
CHEMBL3545432,CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)C(CC(=O)O)(CC(=O)O)O1,1927281,MOL,0,,2015.0
CHEMBL3545985,C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1,1927831,MOL,0,,1960.0
CHEMBL3546271,Fc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1,1928117,MOL,0,,2020.0
CHEMBL355200,C#Cc1cnc(O)nc1O,283293,MOL,0,Antineoplastic (adjunct),
CHEMBL3559671,,1941482,NONE,0,Pharmaceutic Aid (viscosity-increasing agent),
CHEMBL3559672,,1941483,NONE,0,Antihypertensive,1954.0
CHEMBL3585580,COc1ccc(Oc2cc(N(C)CCOc3ccc(CC4SC(=O)NC4=O)cc3)ncn2)cc1,1948790,MOL,0,,
CHEMBL358850,C[C@@H](O)C(=O)O,236686,MOL,0,,
CHEMBL3590187,CCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,1951344,MOL,1,,2020.0
CHEMBL359744,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl,462435,MOL,0,Antineoplastic,1974.0
CHEMBL3597971,Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,1954930,MOL,0,,
CHEMBL36,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,2080,MOL,0,Antimalarial,1953.0
CHEMBL360055,CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC,306429,MOL,0,Neuromuscular Blocking Agent,1982.0
CHEMBL360328,C[C@H]1CNCCc2ccc(Cl)cc21,301194,MOL,1,,2012.0
CHEMBL3608680,Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3C)n1,1959536,MOL,0,,
CHEMBL361497,C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4,316347,MOL,0,,2020.0
CHEMBL361506,N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO.O=S(=O)(O)CCO,314132,MOL,0,,1984.0
CHEMBL3621988,Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cccnc2)cc1,1965665,MOL,0,,
CHEMBL3622820,N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)C1,1966506,MOL,0,,
CHEMBL3622821,CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c1cnc2cnc3[nH]ccc3n12,1966507,MOL,0,,2019.0
CHEMBL363295,CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C,308699,MOL,0,Vasodilator (coronary),1986.0
CHEMBL363392,CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCc3ccc(C[N+]45CCN(CC4)CC5)cc3)cc2)[C@H]1O,328286,MOL,0,,
CHEMBL363449,CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,318321,MOL,0,,
CHEMBL3646221,O=C(O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1O,1978977,MOL,0,,
CHEMBL364713,COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C,320260,MOL,0,Antitussive,
CHEMBL364804,CCOc1ccc(-c2nn3ncccc3c2-c2ccc(S(C)(=O)=O)cc2)cc1,310199,MOL,0,,
CHEMBL36506,CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C,48697,MOL,0,Antibacterial,1964.0
CHEMBL3655081,CCCS(=O)(=O)N[C@H]1C[C@@H](N(C)c2ncnc3[nH]ccc23)C1,1987927,MOL,0,,
CHEMBL365795,CC(C(=O)O)c1ccc(C(=O)c2ccccc2)s1,317367,MOL,0,,
CHEMBL3663929,C=CC(=O)N1CC[C@@H](Oc2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)c(C(N)=O)nc2CC)C1,1996864,MOL,0,,
CHEMBL366460,O=c1c(-c2ccccc2)coc2ccccc12,293946,MOL,0,,
CHEMBL3668014,COc1cc(F)c(-n2c(=O)[nH]c3csc(C(=O)O)c3c2=O)cc1OCc1c(OC)ccc(F)c1F,2000990,MOL,0,,
CHEMBL367149,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O,302932,MOL,0,,
CHEMBL36715,NC(=O)CN1CCCC1=O,53623,MOL,0,Cognition Adjuvant,
CHEMBL3678958,CC(C)n1c(Nc2cccnc2)nc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21,2012045,MOL,0,,
CHEMBL3697617,Cc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C,2030892,MOL,0,,
CHEMBL3701238,C=CC(=O)N1CC[C@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1,2034550,MOL,0,,
CHEMBL370143,NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O,325236,MOL,0,Anti-Amebic,1969.0
CHEMBL3702854,CC(C)(/C=C(\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCN(C2COC2)CC1,2036182,MOL,0,,
CHEMBL3707183,C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O.O.O=S(=O)(O)O,2039153,MOL,0,Cardiac Depressant (anti-arrhythmic),1962.0
CHEMBL3707207,,2039178,NONE,0,,
CHEMBL3707208,,2039179,NONE,0,,
CHEMBL3707223,CCOC(=O)C[N+]1(C)CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1.[Br-],2039194,MOL,0,,
CHEMBL3707226,,2039197,NONE,1,,2016.0
CHEMBL3707227,,2039198,SEQ,1,,2016.0
CHEMBL3707229,,2039200,SEQ,0,,
CHEMBL3707230,,2039201,NONE,0,,
CHEMBL3707232,,2039203,NONE,0,,
CHEMBL3707235,N[C@@H](CC(=O)N1CCc2c(nc(C(F)(F)F)nc2C(F)(F)F)C1)CN1CC(F)(F)CCC1=O,2039206,MOL,0,,
CHEMBL3707243,C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.Cc1ccc(S(=O)(=O)[O-])cc1.O,2039214,MOL,0,,2018.0
CHEMBL3707246,CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N.Cl,2039217,MOL,0,,2020.0
CHEMBL3707247,CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N,2039218,MOL,0,,2020.0
CHEMBL3707248,COc1cc2c(cc1OC)[C@H]1C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CC2.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1,2039219,MOL,0,,2017.0
CHEMBL3707260,Nc1nc(O)c2c(n1)NCC(CNc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)N2C=O.[Na+].[Na+],2039231,MOL,0,,
CHEMBL3707266,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1.O=C(O)CCC(=O)O,2039237,MOL,1,,2017.0
CHEMBL3707267,C[C@]1([18F])C[C@@](N)(C(=O)O)C1,2039238,MOL,0,,2016.0
CHEMBL3707268,C[C@]1(F)C[C@@](N)(C(=O)O)C1,2039239,MOL,0,,2016.0
CHEMBL3707275,,2039246,NONE,1,,
CHEMBL3707276,,2039247,SEQ,0,,
CHEMBL3707277,,2039248,SEQ,0,,
CHEMBL3707279,,2039250,SEQ,0,,
CHEMBL3707280,,2039251,NONE,0,,
CHEMBL3707281,CC(O)C(=O)[O-].CC(O)C(=O)[O-].[Mg+2],2039252,MOL,0,,
CHEMBL3707282,O=C([O-])c1cc(=O)[nH]c(=O)[nH]1.O=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[Mg+2],2039253,MOL,0,,
CHEMBL3707290,C=C(CCCCCCCCCCCCCCCc1nnn[nH]1)NS(=O)(=O)CCCC(=O)NCCOCCOCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(=O)CSC[C@H](N)C(=O)O)C(N)=O)C(=O)O)C(=O)O,2039261,MOL,0,,2020.0
CHEMBL3707295,,2039266,SEQ,0,,
CHEMBL3707297,,2039268,SEQ,0,,
CHEMBL3707305,,2039276,NONE,0,,
CHEMBL3707306,N#Cc1c(N(CC(=O)[O-])CC(=O)[O-])sc(C(=O)[O-])c1CC(=O)[O-].[Sr+2].[Sr+2],2039277,MOL,0,,
CHEMBL3707307,CCOc1ccc2nc(SCCN3CCOCC3)[nH]c2c1,2039278,MOL,0,,
CHEMBL3707309,CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC)[C@@H](C)CC)C(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F,2039280,MOL,0,,
CHEMBL3707310,Cc1cc(C2=NO[C@@](c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)sc1C(=O)NCC(=O)NCC(F)(F)F,2039281,MOL,0,,
CHEMBL3707312,COC(=O)c1cccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)c1,2039283,MOL,0,,
CHEMBL3707313,CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCO)ccc1N1CCCC1,2039284,MOL,0,,2019.0
CHEMBL3707314,,2039285,NONE,0,,
CHEMBL3707320,CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O.Cl,2039291,MOL,0,,2015.0
CHEMBL3707323,,2039294,SEQ,0,,
CHEMBL3707324,,2039295,SEQ,0,,
CHEMBL3707325,,2039296,SEQ,0,,
CHEMBL3707326,,2039297,SEQ,1,,2018.0
CHEMBL3707327,,2039298,SEQ,0,,
CHEMBL3707328,,2039299,SEQ,0,,2018.0
CHEMBL3707330,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl.O,2039301,MOL,0,,2015.0
CHEMBL3707331,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,2039302,MOL,0,,2015.0
CHEMBL3707333,O[B-]1(O)OO[B-](O)(O)OO1.[Na+].[Na+],2039304,MOL,0,,
CHEMBL3707345,C[N+](C)(C)CCOC[18F],2039316,MOL,0,,
CHEMBL3707348,CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12,2039319,MOL,0,,2017.0
CHEMBL3707350,C=CC(=O)N1CC[C@@H](Oc2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)c(C(N)=O)nc2CC)C1.CS(=O)(=O)O,2039321,MOL,0,,
CHEMBL3707352,,2039323,NONE,0,,
CHEMBL3707356,,2039327,NONE,0,,
CHEMBL3707357,,2039328,SEQ,0,,2019.0
CHEMBL3707359,,2039330,SEQ,0,,
CHEMBL3707365,,2039336,NONE,0,,
CHEMBL3707366,C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O,2039337,MOL,0,,
CHEMBL3707372,CC[C@H]1[C@@H](C(=O)N[C@]2(C(=O)NS(=O)(=O)C3(C)CC3)C[C@H]2C(C)C)N2C[C@@H]1Oc1nc3cc(OC)ccc3nc1C(F)(F)CCCC[C@@H]1C[C@H]1OC(=O)N[C@@H](C(C)(C)C)C2=O,2039343,MOL,0,,2017.0
CHEMBL3707376,O=C(O)c1cn(C2CC2)c2cc(N3CCC(O)(COc4ccc(N5C[C@H](CO)OC5=O)cc4F)CC3)c(F)cc2c1=O,2039347,MOL,0,,
CHEMBL3707377,C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O,2039348,MOL,0,,2018.0
CHEMBL3707381,,2039352,NONE,0,,
CHEMBL3707382,,2039353,NONE,1,,2017.0
CHEMBL3707383,,2039354,NONE,0,,
CHEMBL3707392,O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1Cc1ncccn1,2039363,MOL,0,,
CHEMBL3707393,N#Cc1ccc([C@H]2CCc3cncn32)c(F)c1.O=P(O)(O)O,2039364,MOL,1,,2020.0
CHEMBL3707395,CSc1ccc(C(=O)/C=C/c2cc(C)c(OC(C)(C)C(=O)O)c(C)c2)cc1,2039366,MOL,0,,
CHEMBL3707398,,2039369,NONE,0,,
CHEMBL3707403,CCCCc1oc2ccc(C(=O)OC(C)C)cc2c1C(=O)c1ccc(CCCN(CCCC)CCCC)cc1,2039374,MOL,0,,
CHEMBL3707446,C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(=O)c3cc(=O)[nH]c(=O)[nH]3)C[C@@H](C(=O)NCCNC(=O)COCCOCC(=O)Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)C[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(=O)O)[C@H]2OC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O,2039417,MOL,0,,
CHEMBL370753,OCCN1CCN(CCCN2c3ccccc3C=Cc3ccccc32)CC1,316208,MOL,0,Antidepressant; Antipsychotic,
CHEMBL370805,COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C,333370,MOL,0,Anesthetic (topical),2017.0
CHEMBL371405,C[C@@]12OC(=O)[C@]1([C@@H](O)[C@@H]1C=CCCC1)NC(=O)[C@@H]2CCCl,322351,MOL,0,,
CHEMBL3716057,COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(N)(=O)=O,2041038,MOL,0,,
CHEMBL372205,C[C@H](CN(C(=O)c1ccc(C#N)cc1)c1ccccn1)N1CCN(c2cccc3c2OCCO3)CC1,321917,MOL,0,,
CHEMBL372764,CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](C)(C)CC1,328891,MOL,0,,
CHEMBL372795,CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](N=C(N)N)[C@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O,334866,MOL,0,Antibacterial (tuberculostatic),1946.0
CHEMBL373742,N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O,366860,BOTH,0,Hormone (antidiuretic),2014.0
CHEMBL37390,CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C,53737,MOL,0,,
CHEMBL374478,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,365189,MOL,0,Antibacterial,1971.0
CHEMBL374731,Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O,366271,MOL,0,,2006.0
CHEMBL374975,CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)O,372428,MOL,0,Antibacterial,
CHEMBL3753858,c1cc(-c2nc3ccc(-c4ccc5nc(-c6ccncc6)[nH]c5c4)cc3[nH]2)ccn1,2060545,MOL,0,,
CHEMBL376140,CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O,373970,MOL,0,,2005.0
CHEMBL376359,Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O,377721,MOL,0,,2013.0
CHEMBL376488,COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12,373981,MOL,1,,2012.0
CHEMBL376756,CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,368126,BOTH,0,,
CHEMBL376897,C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21,370289,MOL,0,,1953.0
CHEMBL377300,Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)ccc2[nH]1,343041,MOL,0,,
CHEMBL37744,CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1,54070,MOL,0,Antidepressant,
CHEMBL377559,C=CCNc1c(O)cc2c(O)c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)N2.Cl,353628,MOL,0,,
CHEMBL3780740,COc1ccc(Oc2cc(N(C)CCOc3ccc(CC4SC(=O)NC4=O)cc3)ncn2)cc1.O=S(=O)(O)O,2075784,MOL,0,,
CHEMBL378544,CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O,355917,MOL,0,Antineoplastic,1965.0
CHEMBL3786673,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCNC(=O)c1ccccc1O,2076856,MOL,0,,
CHEMBL379845,COC(=O)c1cccnc1,351700,MOL,0,,
CHEMBL38,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1,2208,MOL,0,Keratolytic,1971.0
CHEMBL3813873,FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1,2089491,MOL,1,,2019.0
CHEMBL382301,CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1,332615,MOL,0,Antagonist (oxytocin),
CHEMBL3828074,CCc1nc2c(C)cc(N3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1,2095675,MOL,0,,
CHEMBL3833301,CCC1(c2ccccc2)C(=O)NC(=O)NC1=O.CNC(C)CC1CCCCC1,2096352,MOL,0,,
CHEMBL3833303,,2096354,NONE,0,,
CHEMBL3833304,,2096355,NONE,0,,
CHEMBL3833305,,2096356,NONE,0,,
CHEMBL3833307,,2096358,NONE,1,,2020.0
CHEMBL3833311,C[C@@H](CC(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1)N1CCOCC1.O=C(O)C(O)C(O)C(=O)O,2096362,MOL,0,,
CHEMBL3833312,C1N2CN3CN1CN(C2)C3.O=C(O)C(O)c1ccccc1,2096363,MOL,0,,
CHEMBL3833314,Cl[Al](Cl)Cl.O.O.O.O.O.O,2096365,MOL,0,,
CHEMBL3833317,,2096368,NONE,0,,2015.0
CHEMBL3833319,CN(CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)C(=O)c1ccc(CN2CCC(C(N)=O)CC2)cc1,2096370,MOL,0,,2018.0
CHEMBL3833320,,2096371,NONE,0,,2020.0
CHEMBL3833321,,2096372,NONE,0,,
CHEMBL3833322,O.O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Al+3].[Al+3].[Mg+2],2096373,MOL,0,,
CHEMBL3833327,CC(=O)Nc1ccc(C(=O)O)cc1.CC(=O)Nc1ccc(C(=O)O)cc1.CC(=O)Nc1ccc(C(=O)O)cc1.CC(O)CN(C)C.CC(O)CN(C)C.CC(O)CN(C)C.O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,2096378,MOL,0,,
CHEMBL3833329,,2096380,SEQ,1,,2018.0
CHEMBL3833332,O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3],2096383,MOL,0,,
CHEMBL3833333,C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O.CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,2096384,MOL,0,,
CHEMBL3833334,CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.COc1ccc2c3c1OC1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314.Cl.Cl.Cl,2096385,MOL,0,,
CHEMBL3833335,C[N+](C)(C)CC(=O)[O-].OC(O)C(Cl)(Cl)Cl,2096386,MOL,0,,
CHEMBL3833337,,2096388,NONE,0,,
CHEMBL3833339,CC(C)CCON=O.CCC(C)CON=O,2096390,MOL,0,,
CHEMBL3833342,,2096393,NONE,0,,2016.0
CHEMBL3833345,,2096396,NONE,0,,
CHEMBL3833346,,2096397,NONE,0,,
CHEMBL3833347,CC(=O)NC(CCC(=O)O)C(=O)O.CN(C)CCO,2096398,MOL,0,,
CHEMBL3833350,O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-],2096401,MOL,0,,
CHEMBL3833351,O.O.O.O.O=C([O-])[O-].[Al+3].[Al+3].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-],2096402,MOL,0,,
CHEMBL3833353,CC(=O)O.CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O,2096404,MOL,0,,2005.0
CHEMBL3833357,,2096408,NONE,0,,
CHEMBL3833358,Oc1c(Cl)cc(Cl)c2cccnc12.Oc1c(Cl)ccc2cccnc12.Oc1ccc(Cl)c2cccnc12,2096409,MOL,0,,
CHEMBL3833361,CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O,2096412,MOL,0,,
CHEMBL3833362,CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Zn+2],2096413,MOL,0,,
CHEMBL3833364,,2096415,NONE,0,,
CHEMBL3833367,,2096418,NONE,0,,
CHEMBL3833368,CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)C(=O)C2.CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1,2096419,MOL,0,,2016.0
CHEMBL3833369,,2096420,NONE,0,,2016.0
CHEMBL3833370,Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,2096421,MOL,0,,
CHEMBL3833372,,2096423,SEQ,0,,
CHEMBL3833373,,2096424,NONE,0,,2017.0
CHEMBL3833374,,2096425,NONE,0,,
CHEMBL3833377,O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Zn+2],2096428,MOL,0,,
CHEMBL3833381,,2096432,NONE,0,,
CHEMBL3833382,CCC[N+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@H](CC)[C@H]2O)[C@H]3[C@H]5O,2096433,MOL,0,,
CHEMBL3833384,,2096435,SEQ,0,,
CHEMBL3833386,,2096437,SEQ,0,,
CHEMBL3833388,CCC[N+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@H](CC)[C@H]2O)[C@H]3[C@H]5O.O=C([O-])C(O)C(O)C(=O)O,2096439,MOL,0,,
CHEMBL3833389,C[C@@H](CC(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1)N1CCOCC1,2096440,MOL,0,,
CHEMBL3833393,,2096444,NONE,1,,2017.0
CHEMBL3833401,Cl[Al](Cl)Cl,2096452,MOL,0,,
CHEMBL3833409,O=C([O-])[O-].[Al+3].[Al+3].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-],2096460,MOL,0,,
CHEMBL383634,COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C,341224,MOL,0,,
CHEMBL383675,Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4nc2CC4)C=C3)c1,348717,MOL,0,Antineoplastic,
CHEMBL38380,O=S(=O)(c1cccc2cnccc12)N1CCCNCC1,50822,MOL,0,,
CHEMBL384467,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,365281,MOL,0,Glucocorticoid,1958.0
CHEMBL385517,N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2,360723,MOL,0,,2009.0
CHEMBL386630,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,364520,MOL,0,Androgen,1972.0
CHEMBL387675,CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c2ccccc2N)C(=O)O[C@@H]1C,374037,MOL,0,Antibacterial,2003.0
CHEMBL38827,CCCCN(CCCC)CC(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1,56095,MOL,0,,2009.0
CHEMBL388590,CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1,374182,MOL,0,Uricosuric,
CHEMBL3889654,O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1,2099025,MOL,1,,2018.0
CHEMBL3894860,CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1,2104231,MOL,1,,2021.0
CHEMBL389621,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,374052,MOL,0,Glucocorticoid,1952.0
CHEMBL39,NCCc1c[nH]c2ccc(O)cc12,2214,MOL,0,,
CHEMBL3918017,CC[C@@H](C(N)=O)N1C[C@H](C=C(F)F)CC1=O,2127388,MOL,0,,
CHEMBL3930624,O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2nc(C(F)(F)F)nc2C1,2139995,MOL,0,,
CHEMBL393220,CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2],407354,MOL,0,Inhibitor (HMG-CoA reductase),1996.0
CHEMBL3936761,C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1,2146132,MOL,0,,2019.0
CHEMBL3940890,Cc1n[nH]c(C)c1CCCOc1cc(C(=O)O)ccc1F,2150261,MOL,0,,
CHEMBL3946483,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCCN)NC(=O)[C@H](CCN)NC1=O,2155854,MOL,0,,
CHEMBL3948730,CC(C)Oc1ccc(-c2nn([C@@H](C)c3oc4ccc(F)cc4c(=O)c3-c3cccc(F)c3)c3ncnc(N)c23)cc1F,2158101,MOL,0,,2021.0
CHEMBL395091,CN[C@]1(c2ccccc2Cl)CCCCC1=O,390556,MOL,0,,2019.0
CHEMBL395110,CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1,396101,MOL,0,,
CHEMBL395429,CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,392195,BOTH,0,Oxytocic,1980.0
CHEMBL396416,N[C@@H](CSCC(=O)O)C(=O)O,397731,MOL,0,Mucolytic,
CHEMBL396778,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O,388574,MOL,0,,2017.0
CHEMBL39736,CCCC/N=C(/N)N=C(N)N,56090,MOL,0,Antidiabetic,
CHEMBL397420,CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O,394206,MOL,0,,
CHEMBL398435,CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1,416772,MOL,0,,2011.0
CHEMBL398440,Cc1cc(O)cc(C)c1Cl,419430,MOL,0,Antibacterial,
CHEMBL398707,CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5,419580,MOL,0,Analgesic (narcotic),1984.0
CHEMBL3988900,[O-2].[Zn+2],2196851,MOL,0,,2006.0
CHEMBL3989401,NCCC(O)(P(=O)([O-])O)P(=O)([O-])O.O.O.O.O.O.[Na+].[Na+],2197272,MOL,0,,1991.0
CHEMBL3989402,CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N.O.O.O,2197273,MOL,0,,2014.0
CHEMBL3989403,Cc1cc(CC(=O)[O-])n(C)c1C(=O)c1ccc(Cl)cc1.O.O.[Na+],2197274,MOL,0,,1980.0
CHEMBL3989405,,2197276,NONE,0,,
CHEMBL3989406,C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O.O.O,2197277,MOL,0,,1988.0
CHEMBL3989408,CC(C)Cc1ccc(C(C)C(=O)[O-])cc1.O.O.[Na+],2197279,MOL,0,,2012.0
CHEMBL3989409,CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](COP(=O)(O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)CC)C(C)C,2197280,MOL,0,,
CHEMBL3989410,COc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1.O.O.O.[Na+],2197281,MOL,0,,1985.0
CHEMBL3989426,,2197297,NONE,0,,
CHEMBL3989432,CC(=O)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.CC(=O)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,2197303,MOL,0,,
CHEMBL3989461,O=C([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc([131I])c(=O)c(I)c-2oc2c(I)c([O-])c([131I])cc12.[Na+].[Na+],2197332,MOL,0,,1971.0
CHEMBL3989478,CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O,2197349,MOL,0,,1961.0
CHEMBL3989480,O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Mg+2].[Mg+2].[Mg+2],2197351,MOL,0,,
CHEMBL3989507,O.O.O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)O.[Na+].[Na+],2197378,MOL,0,,1982.0
CHEMBL3989509,CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C.CC(O)C(=O)O,2197380,MOL,0,,1967.0
CHEMBL3989510,CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C.Cl,2197381,MOL,0,,1969.0
CHEMBL3989511,N=C(N)NCc1cccc([131I])c1.N=C(N)NCc1cccc([131I])c1.O=S(=O)(O)O,2197382,MOL,0,,1994.0
CHEMBL3989514,CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.Cl.O.O.O,2197385,MOL,0,,1996.0
CHEMBL3989515,CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.O.O.O.O.c1ccc(CNCCNCc2ccccc2)cc1,2197386,MOL,0,,1952.0
CHEMBL3989516,COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)([O-])[O-])C(=O)C(C)(C)O4)n2)cc(OC)c1OC.O.O.O.O.O.O.[Na+].[Na+],2197387,MOL,1,,2018.0
CHEMBL3989517,COC(=O)[C@H]1[C@@H](c2ccc([123I])cc2)C[C@@H]2CC[C@H]1N2CCCF,2197388,MOL,0,,2011.0
CHEMBL3989519,CCN1CC(CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O.Cl.O,2197390,MOL,0,,1965.0
CHEMBL3989520,NCCc1c[nH]cn1.O=P(O)(O)O.O=P(O)(O)O,2197391,MOL,0,,1939.0
CHEMBL3989521,CC(C)NCC(O)c1ccc(O)c(O)c1.CC(C)NCC(O)c1ccc(O)c(O)c1.O.O.O=S(=O)(O)O,2197392,MOL,0,,1956.0
CHEMBL3989522,O.O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+].[Na+],2197393,MOL,0,,1953.0
CHEMBL3989523,N=C(N)NCc1cccc([123I])c1.N=C(N)NCc1cccc([123I])c1.O=S(=O)(O)O,2197394,MOL,0,,2008.0
CHEMBL3989529,CCCCCCCC/C=C\CCCCCCCC(=O)O.NCCO,2197400,MOL,0,,1988.0
CHEMBL3989543,CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(N)=O)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O,2197414,MOL,0,,
CHEMBL3989545,O=S([O-])([O-])=S.[K+].[K+].[K]S[K],2197416,MOL,0,,
CHEMBL3989551,CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1.Cl.O,2197422,MOL,0,,1964.0
CHEMBL3989553,CS(=O)(=O)O.CS(=O)(=O)O.N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1,2197424,MOL,0,,
CHEMBL3989555,Cc1cccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)c1.Cl.Cl.O,2197426,MOL,0,,1957.0
CHEMBL3989556,CCN1CCC[C@H]1CNC(=O)c1c(OC)ccc(Br)c1OC.Cl.O,2197427,MOL,0,,1990.0
CHEMBL3989558,CCC(CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1.O=C(O)/C=C\C(=O)O,2197429,MOL,0,,1962.0
CHEMBL3989559,COc1ccnc(C[S+]([O-])c2nc3cc(OC(F)F)ccc3[n-]2)c1OC.O.[Na+],2197430,MOL,0,,2000.0
CHEMBL3989562,COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC.Cl.O.O,2197433,MOL,0,,1987.0
CHEMBL3989563,CN1CCC[C@H]1c1cccnc1.O.O.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O,2197434,MOL,0,,
CHEMBL3989564,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O.NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O,2197435,MOL,0,,1975.0
CHEMBL3989566,COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)/C=C/C(=O)O,2197437,MOL,0,,1989.0
CHEMBL3989567,Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.O.[Na+],2197438,MOL,0,,1971.0
CHEMBL3989568,CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12.CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12.[Ca+2],2197439,MOL,0,,1982.0
CHEMBL3989569,CCCCCN(C)CCC(O)(P(=O)([O-])O)P(=O)(O)O.O.[Na+],2197440,MOL,0,,2003.0
CHEMBL3989570,CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2.CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2.O.O.O=S(=O)(O)O,2197441,MOL,0,,
CHEMBL3989571,CN[C@H]1[C@@H](O)[C@@H](NC)[C@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@H]12.Cl.Cl.O.O.O.O.O,2197442,MOL,0,,1971.0
CHEMBL3989581,Cl.Cl.Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O,2197452,MOL,0,,
CHEMBL3989640,O.O.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Mg+2],2197511,MOL,0,,
CHEMBL3989646,CC(C)(C)NCC(O)c1ccc(O)c(CO)n1.Cl.Cl,2197517,MOL,0,,
CHEMBL3989647,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)[O-].O.[Na+],2197518,MOL,0,,
CHEMBL3989658,CS(=O)(=O)O.Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cccc(Cl)c2)O1,2197529,MOL,0,,
CHEMBL3989663,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O.O,2197534,MOL,0,,
CHEMBL3989676,CCCCC1C(=O)N(c2ccccc2)N(c2ccc(O)cc2)C1=O.O,2197547,MOL,0,,1960.0
CHEMBL3989677,COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314.O.O.O=C(O)C(O)C(O)C(=O)O,2197548,MOL,0,,1943.0
CHEMBL3989678,C1CNCCN1.C1CNCCN1.C1CNCCN1.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O,2197549,MOL,0,,1954.0
CHEMBL3989686,CN1CCCC[C@H]1CCc1ccccc1NC(=O)/C=C/c1ccccc1,2197557,MOL,0,,
CHEMBL3989689,CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](NCCCNCCCCN)C[C@@H]1C[C@H]3O)OS(=O)(=O)O.C[C@H](O)C(=O)O.O,2197560,MOL,0,,
CHEMBL3989691,CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(C(=O)O)c2)c1O.NCCO.NCCO,2197562,MOL,0,,2008.0
CHEMBL3989693,CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1.CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1.O=C(O)C(O)C(O)C(=O)O,2197564,MOL,0,,2005.0
CHEMBL3989694,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1.O.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,2197565,MOL,0,,2009.0
CHEMBL3989695,CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1.O,2197566,MOL,0,,2008.0
CHEMBL3989697,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])O)c2cc1C.O.O.[Na+],2197568,MOL,0,,1985.0
CHEMBL3989698,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1.O=S(=O)(O)O,2197569,MOL,0,,1961.0
CHEMBL3989702,C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O.O,2197573,MOL,0,,
CHEMBL3989714,CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O.CC[C@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O.O=S(=O)(O)O,2197585,MOL,0,,1957.0
CHEMBL3989715,C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O.C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O.O.O.[Ca+2],2197586,MOL,0,,1995.0
CHEMBL3989716,CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C.O.O=S(=O)(O)c1ccc2ccccc2c1,2197587,MOL,0,,1971.0
CHEMBL3989724,CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21.Cl.Cl,2197595,MOL,0,,1970.0
CHEMBL3989725,N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1.NC(CO)(CO)CO.NC(CO)(CO)CO,2197596,MOL,0,,1993.0
CHEMBL3989727,,2197598,NONE,0,,1985.0
CHEMBL3989728,Cc1cc(OP(=O)([O-])[O-])c2ccccc2c1OP(=O)([O-])[O-].O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+],2197599,MOL,0,,
CHEMBL3989738,CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O.CC[C@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCN)NC1=O)[C@@H](C)O,2197609,MOL,0,,1957.0
CHEMBL3989740,CCO.C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.Cl.Cl.O,2197611,MOL,0,,1967.0
CHEMBL3989750,N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O.O=S(=O)(O)O,2197621,MOL,0,,
CHEMBL3989751,,2197622,NONE,0,,
CHEMBL3989754,CC(C(=O)[O-])c1ccc(-c2ccccc2)c(F)c1.O.O.[Na+],2197625,MOL,0,,1986.0
CHEMBL3989756,O.O=[Mg].O=[Mg].O=[Mg].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O,2197627,MOL,0,,1997.0
CHEMBL3989759,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](N)CC3.CS(=O)(=O)O.O.O,2197630,MOL,0,,
CHEMBL3989766,CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(NCc3ccc(-c4ccc(Cl)cc4)cc3)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O.O=P(O)(O)O.O=P(O)(O)O,2197637,MOL,0,,2014.0
CHEMBL3989767,CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O,2197638,MOL,0,,1978.0
CHEMBL3989768,CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13.O.O.O=C(O)C(O)C(O)C(=O)O,2197639,MOL,0,,1991.0
CHEMBL3989769,,2197640,NONE,0,,1957.0
CHEMBL3989777,Cl.Cl.NCCNCCNCCN,2197648,MOL,0,,1985.0
CHEMBL3989780,O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=S(=O)(OC[C@H]1O[C@@H](O[C@]2(COS(=O)(=O)O[Al](O)O)O[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]2OS(=O)(=O)O[Al](O)O)[C@H](OS(=O)(=O)O[Al](O)O)[C@@H](OS(=O)(=O)O[Al](O)O)[C@@H]1OS(=O)(=O)O[Al](O)O)O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O.O[Al](O)O,2197651,MOL,0,,1981.0
CHEMBL3989786,CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.Cl.Cl,2197657,MOL,0,,
CHEMBL3989798,COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1.COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1.O.O.O=C(O)/C=C/C(=O)O,2197669,MOL,0,,2001.0
CHEMBL3989801,CC(=O)O.CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](COP(=O)(O)O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)CC)C(C)C,2197672,MOL,0,,
CHEMBL3989803,Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C.O.[Na+],2197674,MOL,0,,
CHEMBL3989806,CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(CCCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I,2197677,MOL,0,,
CHEMBL3989820,Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.O=C(O)C(O)C(O)C(=O)O,2197691,MOL,0,,1992.0
CHEMBL3989821,COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C.Cl.O.O.O.O.O.[Cl-],2197692,MOL,0,,1945.0
CHEMBL3989822,O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[K+].[K+].[K+],2197693,MOL,0,,1985.0
CHEMBL3989823,NCCC[C@H](N)CC(=O)N[C@H]1CNC(=O)[C@H]([C@H]2C[C@H](O)NC(N)=N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O.O=S(=O)(O)O,2197694,MOL,0,,1982.0
CHEMBL3989824,CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1.Cl.Cl.O.O,2197695,MOL,0,,1970.0
CHEMBL3989825,CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1.CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,2197696,MOL,0,,
CHEMBL3989826,COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314.COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314.O=C(O)c1ccc(C(=O)O)cc1,2197697,MOL,0,,1950.0
CHEMBL3989829,CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O.CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O,2197700,MOL,0,,1983.0
CHEMBL3989830,CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1.Cl.O,2197701,MOL,0,,1997.0
CHEMBL3989833,CS(=O)(=O)O.O.O.O.O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1,2197704,MOL,0,,2002.0
CHEMBL3989834,COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccncc2)nc1OC,2197705,MOL,0,,
CHEMBL3989843,N[C@@H]1C[C@H]1c1ccccc1.N[C@H]1C[C@@H]1c1ccccc1,2197714,MOL,0,,1961.0
CHEMBL3989844,C[C@H](N)Cc1ccccc1.O=C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O,2197715,MOL,0,,1996.0
CHEMBL3989845,CN(C)CCCN1c2ccccc2CCc2ccccc21.CN(C)CCCN1c2ccccc2CCc2ccccc21.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,2197716,MOL,0,,1973.0
CHEMBL3989850,CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2=Cc1ccc(C=C2C(=O)C3(CS(=O)(=O)O)CCC2C3(C)C)cc1,2197721,MOL,0,,2006.0
CHEMBL3989855,CN[C@@H](C)[C@@H](O)c1ccccc1.CN[C@@H](C)[C@@H](O)c1ccccc1.O=S(=O)(O)O,2197726,MOL,0,,1963.0
CHEMBL3989856,O.O.O.O.O.O.O.O.O.O.O=S(=O)([O-])[O-].[Na+].[Na+],2197727,MOL,0,,1984.0
CHEMBL3989857,O.O.O.O.O.O.O.O=S(=O)([O-])[O-].[Mg+2],2197728,MOL,0,,1981.0
CHEMBL3989858,CC(=O)[O-].CC(=O)[O-].O.O.O.O.[Mg+2],2197729,MOL,0,,
CHEMBL3989859,CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2,2197730,MOL,0,,2001.0
CHEMBL3989861,CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1.O.O=C(O)/C=C/C(=O)O,2197732,MOL,0,,2013.0
CHEMBL3989862,C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)OCC(=O)NCC(F)(F)C(F)(F)F)=CC[C@@H]23)C[C@@H](O)C[C@@H]1O,2197733,MOL,0,,
CHEMBL3989866,O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N1[C@H]3CC[C@H](C3)O[C@@H]1C2,2197737,MOL,0,,2018.0
CHEMBL3989867,O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c([O-])c1=O)C(=O)N1[C@H]3CC[C@H](C3)O[C@@H]1C2.[Na+],2197738,MOL,0,,2018.0
CHEMBL3989868,Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1ccn2ncnc2c1,2197739,MOL,0,,2020.0
CHEMBL3989869,CC(C)Oc1ccc(-c2nn([C@@H](C)c3oc4ccc(F)cc4c(=O)c3-c3cccc(F)c3)c3ncnc(N)c23)cc1F.Cc1ccc(S(=O)(=O)O)cc1,2197740,MOL,0,,2021.0
CHEMBL3989871,Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3c(C)cccc3F)[C@H]2c2ccc(NC3CCCC3)cc2)cc1C(F)(F)F,2197742,MOL,0,,
CHEMBL3989873,CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(I)cc4)ncnc32)[C@H](O)[C@@H]1O,2197744,MOL,0,,
CHEMBL3989885,CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.CC(CN(C)C)CN1c2ccccc2Sc2ccccc21.O=C(O)C(O)C(O)C(=O)O,2197756,MOL,0,,1982.0
CHEMBL3989887,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC.O,2197758,MOL,0,,1994.0
CHEMBL3989904,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OCC=Cc2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C,2197775,MOL,0,,
CHEMBL3989908,CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1,2197779,MOL,1,,2017.0
CHEMBL3989915,CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(C(=O)O)CC1,2197786,MOL,0,,
CHEMBL3989917,Cc1ccccc1-c1cc(N2CC[N+](C)(COP(=O)([O-])O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,2197788,MOL,0,,2018.0
CHEMBL3989918,CCc1noc(CC)c1C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,2197789,MOL,0,,
CHEMBL3989919,Cc1ccccc1-c1cc(N2CC[N+](C)(COP(=O)(O)O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl.[Cl-],2197790,MOL,0,,2018.0
CHEMBL3989920,O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.[Na+],2197791,MOL,0,,2017.0
CHEMBL3989921,CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C.O=C(O)/C=C\C(=O)O,2197792,MOL,0,,2017.0
CHEMBL3989922,Cc1ccc(S(=O)(=O)O)cc1.NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12.O,2197793,MOL,0,,2017.0
CHEMBL3989923,O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.[Mg+2],2197794,MOL,0,,2017.0
CHEMBL3989924,,2197795,NONE,1,,2018.0
CHEMBL3989926,COCCNCc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)C5(C(=O)Nc6ccc(F)cc6)CC5)cc4F)c3s2)nc1,2197797,MOL,0,,
CHEMBL3989929,CCCCc1nc(-c2ccc(OCCCN(CC)CC)cc2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1,2197800,MOL,0,,
CHEMBL3989931,CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CS(=O)(=O)O,2197802,MOL,1,,2017.0
CHEMBL3989932,CC(=O)O.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O,2197803,MOL,0,,2017.0
CHEMBL3989936,C[C@]12C[C@H](c3ccc(S(C)(=O)=O)cc3)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C(F)(F)C(F)(F)F,2197807,MOL,0,,
CHEMBL3989937,CNC(=O)c1ccc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1F.Cl.Cl.O,2197808,MOL,0,,2020.0
CHEMBL3989938,COC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(N[C@@H](C)C(=O)OC)Oc1ccccc1,2197809,MOL,0,,
CHEMBL3989939,O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1.O=S(=O)(O)O,2197810,MOL,1,,2018.0
CHEMBL3989944,COC(=O)/C=C/C(=O)OCCN1C(=O)CCC1=O,2197815,MOL,0,,2019.0
CHEMBL3989945,CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](OCC[N+](C)(C)C)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)cc5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)cc2)cc1,2197816,MOL,0,,
CHEMBL3989947,CCCCCCCCCCCCCCOc1ccc(C(=O)OCC(=O)N(C)CC(=O)OCC)o1,2197818,MOL,0,,
CHEMBL3989948,CC#Cc1cncc(-c2ccc3c(c2)[C@@]2(N=C(C)C(N)=N2)[C@]2(CC[C@H](OC)CC2)C3)c1,2197819,MOL,0,,
CHEMBL3989949,NC(=O)O[C@@H](Cn1ncnn1)c1ccccc1Cl,2197820,MOL,0,,2020.0
CHEMBL3989950,CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)O)C(C)C,2197821,MOL,0,,
CHEMBL3989954,C=C1CC[C@H]2[C@H](CN)[C@@H]([C@@]3(C)CC[C@H](O)C[C@@H]3CO)CC[C@]12C,2197825,MOL,0,,
CHEMBL3989958,N#Cc1ccnc(N2C(=O)CC[C@H]2C(=O)N(c2cncc(F)c2)[C@H](C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)c1,2197829,MOL,1,,2018.0
CHEMBL3989968,CCOc1ccccc1C(=O)NCc1coc(-c2ccc(OC(F)F)c(OC(C)C)c2)n1,2197839,MOL,0,,
CHEMBL3989971,CC[C@H]1C[C@@H](C(=O)NCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(=O)O)[C@H]2NC(C)=O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O,2197842,MOL,0,,
CHEMBL3989973,Cl.FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1,2197844,MOL,0,,2019.0
CHEMBL3989974,CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(CCNC(=O)c4ccc(O)c(O)c4Cl)CCCC3)CS[C@H]12)c1csc(N)n1)C(=O)O,2197845,MOL,0,,2019.0
CHEMBL3989977,,2197848,SEQ,1,,2018.0
CHEMBL3989986,,2197857,SEQ,0,,2018.0
CHEMBL3989987,,2197858,NONE,1,,
CHEMBL3989989,,2197860,NONE,0,,
CHEMBL3989992,,2197863,SEQ,0,,
CHEMBL3990008,,2197879,NONE,0,,
CHEMBL3990011,,2197882,SEQ,0,,
CHEMBL3990014,,2197885,SEQ,0,,
CHEMBL3990026,,2197897,SEQ,0,,2018.0
CHEMBL3990029,,2197900,SEQ,0,,2019.0
CHEMBL3990031,,2197902,SEQ,0,,
CHEMBL3990033,,2197904,NONE,0,,
CHEMBL3990034,,2197905,NONE,0,,
CHEMBL3990039,,2197910,SEQ,0,,
CHEMBL3990040,,2197911,NONE,0,,
CHEMBL3990041,,2197912,NONE,0,,
CHEMBL3990043,,2197914,NONE,0,,
CHEMBL3990047,CNc1ncc(-c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)cc1C,2197918,MOL,0,,2017.0
CHEMBL3990276,O=[Mg].O=[Mg].O=[Mg].O=[Si]=O.O=[Si]=O.O=[Si]=O.O=[Si]=O,2198147,MOL,0,,1997.0
CHEMBL3991065,C[C@@H]1[C@H](c2c(F)ccc(F)c2F)C[C@H](NC(=O)c2cnc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F,2198936,MOL,0,,
CHEMBL399510,CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC,418421,MOL,0,,
CHEMBL4,CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23,146,MOL,0,Antibacterial,1990.0
CHEMBL40,CCC1(c2ccccc2)C(=O)NC(=O)NC1=O,2217,MOL,0,"Anticonvulsant; Sedative-Hypnotic,Sedative-Hypnotic; Anticonvulsant",
CHEMBL400599,CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)c1ccccc1,418415,MOL,0,,1974.0
CHEMBL403,CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O,194,MOL,0,"Inhibitor (beta-lactamase); Synergist (penicillin/cephalosporin),Synergist (penicillin/cephalosporin); Inhibitor (beta-lactamase)",1986.0
CHEMBL403664,Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1c[nH]cn1,427010,MOL,0,,1973.0
CHEMBL404,C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O,207,MOL,0,Inhibitor (beta-lactamase),1993.0
CHEMBL404108,Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1,424824,MOL,0,,
CHEMBL404422,CCCCC1(CC)C(=O)NC(=O)NC1=O,419412,MOL,0,,
CHEMBL404431,CC(C)(N)CNC(=O)C[C@H]1CC[C@]2(CC1)OO[C@]1(O2)C2CC3CC(C2)CC1C3,436587,MOL,0,,
CHEMBL404520,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12,438486,MOL,0,"Antibacterial; Antiprotozoal,Antiprotozoal; Antibacterial",1950.0
CHEMBL404849,CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1,418491,MOL,0,,1979.0
CHEMBL405,CC(N)Cc1ccccc1,543,MOL,0,Stimulant (central),1955.0
CHEMBL405821,NC(=O)C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1,442178,MOL,0,,
CHEMBL406,CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1,619,MOL,0,Antihypertensive; Diuretic,1983.0
CHEMBL406117,N=C(N)NCCCCCCC(=O)NC(O)C(=O)NCCCCNCCCN,430481,MOL,0,Immunosuppressant,
CHEMBL406393,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C,442077,MOL,0,,2015.0
CHEMBL4065122,C[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3CO)cn(C)c2=O)nc1,2205033,MOL,0,,
CHEMBL4065616,CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O)Oc1ccccc1,2205527,MOL,1,,2020.0
CHEMBL4066936,COC(=O)Nc1c(N)nc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)nc1N,2206847,MOL,0,,2021.0
CHEMBL4068611,Cn1cc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3cc(C(F)(F)F)ccn3)C2)cn1,2208522,MOL,0,,
CHEMBL4069597,Cc1nc(N(C)C(=O)Cc2ccc(-c3ccccn3)cc2)sc1S(N)(=O)=O,2209508,MOL,0,,
CHEMBL407,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2,635,MOL,0,Antagonist (to benzodiazepine),1991.0
CHEMBL4072833,C=CC(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1,2212744,MOL,0,,
CHEMBL407874,Nc1nc(OCc2ccccc2)c2nc[nH]c2n1,440654,MOL,0,,
CHEMBL408,Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2,666,MOL,0,Antidiabetic,1997.0
CHEMBL408194,COC1=CC(c2cc3ccccc3[nH]2)=N/C1=C\c1[nH]c(C)cc1C,429157,MOL,0,,
CHEMBL408403,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O,429156,BOTH,1,,2017.0
CHEMBL408513,O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO,435188,MOL,0,,2014.0
CHEMBL4085457,C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1C,2225368,MOL,0,,
CHEMBL408701,C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,442375,MOL,0,,
CHEMBL409,CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1,717,MOL,0,Antineoplastic,1995.0
CHEMBL409153,C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1cc(F)ccc1F,433556,MOL,0,,
CHEMBL4094894,CC(C)c1cccc([C@H](C)C2CC2)c1O,2234805,MOL,0,,
CHEMBL41,CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1,2223,MOL,0,Antidepressant,1987.0
CHEMBL4101807,CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O,2241718,MOL,1,,2019.0
CHEMBL4105630,C[C@]12CC[C@@H]3[C@H]4CC[C@@](C)(O)C[C@H]4CC[C@H]3[C@@H]1CC[C@@H]2C(=O)Cn1cc(C#N)cn1,2245541,MOL,0,,
CHEMBL411,CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1,860,MOL,0,Estrogen,1973.0
CHEMBL411070,C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O,442313,MOL,0,,
CHEMBL4112930,C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34,2252281,MOL,0,,
CHEMBL4113131,C[C@H]1CN(C(=O)c2ccc(NC(=O)c3cc(O[C@H](C)c4c(Cl)ccc(F)c4Cl)c(N)nn3)cc2)C[C@@H](C)N1,2252482,MOL,0,,
CHEMBL412531,CC[C@H](C)[C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H](N)CS)C(C)C)C(C)C)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)O)C(C)C)C(C)C)C(C)C)[C@H](C)O,57157,BOTH,0,,
CHEMBL41286,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O,61717,MOL,0,,
CHEMBL412873,C1CCN2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]2C1,11265,MOL,0,Oxytocic,
CHEMBL413,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C,923,MOL,0,Immunosuppressant,1999.0
CHEMBL413376,Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[O-])c3cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c23)cc1NC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cc(C(=O)Nc4ccc(S(=O)(=O)[O-])c5cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c45)ccc3C)c2)c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],59311,MOL,0,Antineoplastic,
CHEMBL41355,CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N,61945,MOL,1,,2011.0
CHEMBL413965,O=C(O)Cc1ccc(-c2ccccc2)cc1,151923,MOL,0,Anti-Inflammatory,
CHEMBL414157,CCCn1c(=O)c2nc(C34CCC(CCC(=O)O)(CC3)CC4)[nH]c2n(CCC)c1=O,361763,MOL,0,,
CHEMBL414357,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O,390990,BOTH,0,,2005.0
CHEMBL414804,,243124,NONE,0,,2002.0
CHEMBL415,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21,996,MOL,0,Antidepressant,1989.0
CHEMBL415049,CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(O)O,363089,MOL,0,,
CHEMBL415324,COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC,179594,MOL,0,Anti-Asthmatic,
CHEMBL415606,CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)C(=O)N[C@H](Cc1ccc(NC(N)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,237139,MOL,0,,2008.0
CHEMBL415690,OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O,395055,MOL,0,Pharmaceutic Aid (sequestering agent),
CHEMBL416,COc1c2occc2cc2ccc(=O)oc12,1063,MOL,0,Pigmentation Agent,1954.0
CHEMBL416146,Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1,6706,MOL,0,,
CHEMBL4164059,Cl.Clc1ccc(CCCOCCCN2CCCCC2)cc1,2267090,MOL,0,,2019.0
CHEMBL416898,Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1,16530,MOL,0,,
CHEMBL416956,OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1,51162,MOL,0,Antimalarial,1989.0
CHEMBL417,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1,1114,MOL,0,Antineoplastic,1999.0
CHEMBL417016,OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,77092,MOL,0,Pharmaceutic Aid (tablet and capsule diluent),
CHEMBL4173394,CCOc1ccc(Nc2ccc(/C(=C3/C=C/C(=[N+](/CC)Cc4cccc(S(=O)(=O)[O-])c4)C=C3C)c3ccc(N(CC)Cc4cccc(S(=O)(=O)[O-])c4)cc3C)cc2)cc1.[Na+],2276425,MOL,0,,2019.0
CHEMBL418995,O=C(O)CCCCCCNC1c2ccccc2CCc2ccccc21,176014,MOL,0,,
CHEMBL419,NCc1ccc(S(N)(=O)=O)cc1,1148,MOL,0,"Anti-Infective, Topical,Antibacterial",1969.0
CHEMBL419213,NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O.O.O,189204,MOL,0,,1987.0
CHEMBL419792,CN[C@@H]1Cc2cccc3[nH]c(=O)n(c23)C1,208205,MOL,0,,
CHEMBL42,CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1,2261,MOL,0,Antipsychotic,1989.0
CHEMBL420,N=C(N)N/N=C/c1c(Cl)cccc1Cl,1202,MOL,0,Antihypertensive,1982.0
CHEMBL4204794,Cn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(N)c6ccc(F)cc6)cn5)CC4)ncnn3c2)cn1,2282945,MOL,0,,2020.0
CHEMBL4204869,C[C@H]1OC[C@]2(c3cc(NC(=O)c4cnc(C(F)F)cn4)ccc3F)N=C(N)SC[C@H]12,2283020,MOL,0,,
CHEMBL4208229,O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cc[nH]n2)c1,2286380,MOL,0,,
CHEMBL4208954,NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O,2287105,MOL,0,,1981.0
CHEMBL421,O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,1223,MOL,0,Antibacterial,1950.0
CHEMBL4216467,CCn1c(=O)c(-c2cc(NC(=O)Nc3ccccc3)c(F)cc2Br)cc2cnc(NC)cc21,2294618,MOL,0,,2020.0
CHEMBL421701,CCN1/C(=C/C=C/C=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21.[I-],128275,MOL,0,,
CHEMBL422,CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,1325,MOL,0,Antipsychotic; Sedative-Hypnotic,1959.0
CHEMBL422648,Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1,238204,MOL,0,,
CHEMBL423,CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1,1354,MOL,0,Antihypertensive; Anti-Anginal,1985.0
CHEMBL423337,CCOc1ccc(Nc2ccc(/C(=C3/C=C/C(=[N+](/CC)Cc4cccc(S(=O)(=O)[O-])c4)C=C3C)c3ccc(N(CC)Cc4cccc(S(=O)(=O)[O-])c4)cc3C)cc2)cc1.[Cl-].[Na+].[Na+],217692,MOL,0,,
CHEMBL42336,CSCC[C@H](N)C(=O)O,63949,MOL,0,"Amino Acid,Radioactive Agent",
CHEMBL424,O=C(O)c1ccccc1O,1362,MOL,0,Keratolytic,
CHEMBL42403,OB(O)O,63997,MOL,0,,
CHEMBL425,O=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O,1369,MOL,0,Anti-Inflammatory (gastrointestinal),1990.0
CHEMBL4250860,CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)c2ccc(-c3cnc(C)nc3)cc12,2315431,MOL,0,,
CHEMBL426559,CS(=O)(=O)c1cc(F)cc2c3c(n(Cc4ccc(Cl)cc4)c12)[C@@H](CC(=O)O)CC3,367314,MOL,0,,
CHEMBL427,CN(CCCl)CCCl,1470,MOL,0,Antineoplastic,1949.0
CHEMBL427216,Cc1ccc(S(=O)(=O)NC(=O)NN2CC3CCCC3C2)cc1,346895,MOL,0,,
CHEMBL4279047,C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F,2318498,MOL,0,,
CHEMBL4279455,CC(=O)O[C@H]1C(=O)[C@]23C[C@H]2C[C@H]2OC[C@@]2(OC(C)=O)[C@H]3[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C,2318906,MOL,0,,
CHEMBL428,N[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@H]12,1616,MOL,0,Antibacterial,
CHEMBL428647,CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C,8062,MOL,0,Antineoplastic,1992.0
CHEMBL428676,CN(C)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O,23998,MOL,0,,
CHEMBL428690,CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1,14366,MOL,0,,
CHEMBL428880,O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1,7725,MOL,0,Anti-Asthmatic (prophylactic),1982.0
CHEMBL429,CC(CCc1ccccc1)NCC(O)c1ccc(O)c(C(N)=O)c1,1785,MOL,0,Anti-Adrenergic (beta-receptor); Anti-Adrenergic (alpha-receptor),1984.0
CHEMBL4296719,O=C(CN[C@@H]1CCNC1)N1CCC[C@H]1B(O)O,2334770,MOL,0,,
CHEMBL4297064,CCN(CC)C(=O)C1(c2ccccc2)CC1CN.Cl,2335035,MOL,0,,2009.0
CHEMBL4297065,CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)C2CC(=O)O1.CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@H]4C(C)=C[C@H]3[C@@H]2CC(=O)O1,2335036,MOL,1,,2011.0
CHEMBL4297066,CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2.CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2.O=C(O)C(O)C(O)C(=O)O,2335037,MOL,0,,2014.0
CHEMBL4297067,O=C1C=CC2C(=C1)Oc1cc(O)ccc1C21OC(=O)c2ccccc21,2335038,MOL,0,Diagnostic Aid (corneal trauma indicator),1976.0
CHEMBL4297088,N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,2335059,MOL,0,,1976.0
CHEMBL4297091,COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314.COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314.O.O.O.O=S(=O)(O)O,2335062,MOL,0,,2009.0
CHEMBL4297101,Cc1oc(=O)oc1COC(=O)N1CC[C@@H](N2CC/C(=C\C3=C(C(=O)[O-])N4C(=O)[C@@H](NC(=O)/C(=N/O)c5nsc(N)n5)[C@H]4SC3)C2=O)C1.[Na+],2335072,MOL,0,,
CHEMBL4297109,CC[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21.[Br-],2335080,MOL,0,,
CHEMBL4297142,CC(=O)O.CC(=O)O.CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O,2335113,MOL,0,,2001.0
CHEMBL4297147,CC(O)C(=O)O.O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,2335118,MOL,0,,1967.0
CHEMBL4297163,,2335134,NONE,0,,
CHEMBL4297165,CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.Cl.Cl,2335136,MOL,0,,1949.0
CHEMBL4297166,,2335137,NONE,0,,
CHEMBL4297183,CN1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1,2335154,MOL,0,,
CHEMBL4297185,CC(O)c1cc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)n[nH]1,2335156,MOL,0,,2019.0
CHEMBL4297190,Cc1cc2cc(Oc3ccnc(Nc4cccc(CS(=O)(=O)NCCN(C)C)c4)n3)ccc2[nH]1,2335161,MOL,0,,
CHEMBL4297192,,2335163,NONE,0,,1996.0
CHEMBL4297202,,2335173,NONE,0,,
CHEMBL4297203,O=C(CN[C@@H]1CCNC1)N1CCC[C@H]1B(O)O.O=C(O)C(O)C(O)C(=O)O,2335174,MOL,0,,
CHEMBL4297206,F[Ag].N.N,2335177,MOL,0,,
CHEMBL4297207,,2335178,NONE,0,,
CHEMBL4297210,CC(C)(O)c1nc2ccc(Cl)cc2cc1N,2335181,MOL,0,,
CHEMBL4297211,CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[N+]3(CCNC(=O)c4ccc(O)c(O)c4Cl)CCCC3)CS[C@H]12)c1csc(N)n1)C(=O)O.CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[N+]3(CCNC(=O)c4ccc(O)c(O)c4Cl)CCCC3)CS[C@H]12)c1csc(N)n1)C(=O)O.CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[N+]3(CCNC(=O)c4ccc(O)c(O)c4Cl)CCCC3)CS[C@H]12)c1csc(N)n1)C(=O)O.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)[O-])cc1.O.O=S(=O)([O-])[O-],2335182,MOL,0,,2019.0
CHEMBL4297212,Cl.NC(=O)OC[C@H](N)Cc1ccccc1,2335183,MOL,0,,2019.0
CHEMBL4297216,Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cl.Cl.O,2335187,MOL,0,,2019.0
CHEMBL4297221,CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2.CS(=O)(=O)O.CS(=O)(=O)O,2335192,MOL,0,,
CHEMBL4297229,,2335200,SEQ,0,,2019.0
CHEMBL4297236,,2335207,NONE,0,,
CHEMBL4297240,,2335211,SEQ,1,,
CHEMBL4297243,,2335214,SEQ,0,,
CHEMBL4297245,,2335216,SEQ,0,,
CHEMBL4297247,,2335218,NONE,0,,
CHEMBL4297257,CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)CCN1C(=O)C=CC1=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O,2335228,MOL,0,,
CHEMBL4297262,CCCCCCCCCCCCCCCCCCCC(=O)N[C@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](O)[C@@H]1[C@@H]2C[C@H](O)[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCC(=O)O,2335233,MOL,0,,
CHEMBL4297264,C1=Cc2ccccc2NN=C1,2335235,MOL,0,,
CHEMBL4297285,,2335256,NONE,0,,
CHEMBL4297291,O=C(O)CCCC(=O)NCCc1c[nH]cn1,2335262,MOL,0,,
CHEMBL4297305,Nc1ncnc2c1ncn2CCNCCCCCO,2335276,MOL,0,,
CHEMBL4297324,COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Br)ccc2-n2c(C)cnc21.Cc1ccc(S(=O)(=O)O)cc1,2335295,MOL,0,,
CHEMBL4297330,CC(C)=CCCC(C)=CCCC(C)=CCCC1(C)CCc2cc(O)ccc2O1,2335301,MOL,0,,
CHEMBL4297334,O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc([18F])nc1)C(=O)O)C(=O)O,2335305,MOL,0,,
CHEMBL4297335,,2335306,NONE,0,,2020.0
CHEMBL4297339,,2335310,NONE,0,,2020.0
CHEMBL4297340,,2335311,NONE,0,,2016.0
CHEMBL4297341,,2335312,NONE,0,,
CHEMBL4297348,CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CC(=O)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)O)[C@H](C)O)[C@H](C)O,2335319,MOL,0,,
CHEMBL4297349,C[C@@H]1NC(=O)[C@H](CC(=O)O)NC1=O,2335320,MOL,0,,
CHEMBL429736,CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(C)n1,438452,MOL,0,,
CHEMBL4297364,CC[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21,2335335,MOL,0,,
CHEMBL4297378,CC1=C[C@@H]2CN(C(=O)N2OS(=O)(=O)[O-])[C@@H]1C(N)=O.[Na+],2335349,MOL,0,,
CHEMBL4297380,CCCCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](COC(=O)[C@@H](N)C(C)C)O4)c(=O)nc3o2)cc1.Cl,2335351,MOL,0,,
CHEMBL4297389,O=C1[C@H](C/C=C(\CO)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1,2335360,MOL,0,,
CHEMBL4297403,CCOC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)Cc1ccc(N(CCCl)CCCl)cc1.Cl,2335374,MOL,0,,2021.0
CHEMBL4297404,COc1ccc(CC2OC(=O)NC2=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1,2335375,MOL,0,,
CHEMBL4297407,COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C/C=C/[123I],2335378,MOL,0,,
CHEMBL4297409,COC(=O)c1ccc(-c2ccc(C(=O)OC)cc2)cc1,2335380,MOL,0,,
CHEMBL4297411,Nc1c2c(nc3c1CCCC3)CCCC2.O=C(O)CCC(=O)O,2335382,MOL,0,,
CHEMBL4297412,CC1(C)C(/C=C/C2=C(Oc3ccc(C[C@H](NC(=O)c4ccc(NCc5cnc6nc(N)[nH]c(=O)c6n5)cc4)C(=O)O)cc3)/C(=C/C=C3/N(CCCCS(=O)(=O)O)c4ccc(S(=O)(=O)O)cc4C3(C)C)CCC2)=[N+](CCCCS(=O)(=O)O)c2ccc(S(=O)(=O)[O-])cc21,2335383,MOL,0,,
CHEMBL4297415,,2335386,NONE,0,,
CHEMBL4297420,[223Ra],2335391,MOL,0,,
CHEMBL4297424,[82Rb],2335395,MOL,0,,
CHEMBL4297426,,2335397,NONE,0,,
CHEMBL4297431,CCOc1ccc(Cc2cc([C@@]34OC[C@@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1F,2335402,MOL,0,,
CHEMBL4297435,COC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2,2335406,MOL,0,,
CHEMBL4297441,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](O)C[C@H]1OC[C@]13OC(C)=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1,2335412,MOL,0,,
CHEMBL4297443,,2335414,NONE,0,,
CHEMBL4297444,,2335415,NONE,0,,
CHEMBL4297445,Cc1cc(Cc2c(C)nn(CCC(=O)O)c2C)c2c(c1O)CCC2,2335416,MOL,0,,
CHEMBL4297455,O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2nccnc12,2335426,MOL,0,,
CHEMBL4297490,[2H]C([2H])([2H])NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,2335461,MOL,0,,
CHEMBL4297502,C=Cc1cc(C(=O)Nc2ccc(C(=N)N)cc2)c(-c2ccc(C(=O)NCC3CC3)nc2C(=O)O)cc1OC,2335473,MOL,0,,
CHEMBL4297503,COC(=O)OCOc1c2n(ccc1=O)N([C@@H]1c3ccccc3SCc3c1ccc(F)c3F)[C@@H]1COCCN1C2=O,2335474,MOL,1,,2018.0
CHEMBL4297504,CO[C@H]1[C@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)/C=C/c1ccc(OCCN(C)C)cc1)CO2,2335475,MOL,0,,
CHEMBL4297506,FC(F)(F)c1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,2335477,MOL,0,,
CHEMBL4297508,CC(C)C[C@@H](C(=O)Nc1ccn(C[C@@H](O)CO)n1)N1CC(Oc2ccccc2Cl)=CC1=O,2335479,MOL,0,,
CHEMBL4297509,CCNCCc1ccc(CN(CC)c2cc(OC)ccc2[C@@H]2CCc3cc(O)ccc3C2)cc1,2335480,MOL,0,,
CHEMBL4297511,N[C@@H](CCS(=O)(=O)O)CSSC[C@@H](N)CCS(=O)(=O)O,2335482,MOL,0,,
CHEMBL4297513,CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)COC[C@@]4(C[C@@H](n4ncnc4-c4ccncc4)[C@@H]5OC[C@](C)(N)C(C)(C)C)C3=CC[C@@]2(C)[C@@H]1C(=O)O,2335484,MOL,0,,
CHEMBL4297516,COc1ccc2[nH]c3c(c2c1)CCN[C@]31CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H](O)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4,2335487,MOL,0,,2020.0
CHEMBL4297517,CC(C)n1c(=O)cc(N[C@@H](C)c2ccccc2)[nH]c1=O,2335488,MOL,0,,
CHEMBL4297521,COCc1nn2c(CN3C[C@@H](CC(F)(F)Cl)CC3=O)c(C(F)(F)F)nc2s1,2335492,MOL,0,,
CHEMBL4297522,CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc3[nH]c(CN4CCOCC4)cc3c21,2335493,MOL,0,,2020.0
CHEMBL4297524,Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cnccn5)n4)c3)cc(C(F)(F)F)c2)cn1,2335495,MOL,0,,
CHEMBL4297525,NC(=O)C1(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2csc3ccccc23)NC(=O)C2CCNCC2)CCNCC1,2335496,MOL,0,,
CHEMBL4297526,COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Br)ccc2-n2c(C)cnc21,2335497,MOL,0,,2020.0
CHEMBL4297528,Cc1cn2nc(-c3cc(=O)n4cc(N5CCNC6(CC6)C5)ccc4n3)cc(C)c2n1,2335499,MOL,0,,2020.0
CHEMBL4297530,CCO[C@@H](Cc1ccc(OCCn2c(C)ccc2-c2ccc(SC)cc2)cc1)C(=O)O,2335501,MOL,0,,
CHEMBL4297533,CC(=O)O.CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O,2335504,MOL,1,,2019.0
CHEMBL4297534,CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1.O=C(O)/C=C\C(=O)O,2335505,MOL,0,,2018.0
CHEMBL4297535,,2335506,NONE,0,,2018.0
CHEMBL4297536,,2335507,NONE,1,,2018.0
CHEMBL4297537,,2335508,NONE,1,,2018.0
CHEMBL4297544,C=C(C#N)C(=O)OC(C)CCCCCC,2335515,MOL,0,,
CHEMBL4297547,,2335518,NONE,0,,
CHEMBL4297549,,2335520,NONE,0,,
CHEMBL4297551,,2335522,NONE,0,,
CHEMBL4297558,,2335529,NONE,0,,
CHEMBL4297564,,2335535,NONE,0,,
CHEMBL4297566,,2335537,NONE,0,,2021.0
CHEMBL4297569,,2335540,NONE,0,,
CHEMBL4297571,,2335542,NONE,0,,
CHEMBL4297573,,2335544,NONE,1,,2018.0
CHEMBL4297574,,2335545,NONE,0,,
CHEMBL4297575,,2335546,SEQ,0,,
CHEMBL4297579,,2335550,NONE,0,,
CHEMBL4297581,,2335552,NONE,0,,
CHEMBL4297583,Cc1nc2cc(C(=O)N(C)C)cc(O[C@H]3CCOc4cc(F)cc(F)c43)c2[nH]1,2335554,MOL,0,,
CHEMBL4297585,CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC,2335556,MOL,0,,2020.0
CHEMBL4297586,CN(CC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1)C(=O)CNC(=O)CN,2335557,MOL,0,,
CHEMBL4297588,CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(=O)O)c3ccc(O)cc3)cc2S(=O)(=O)N1,2335559,MOL,0,,
CHEMBL4297590,COc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@]2(C)c2nc3c(C)c(Cl)ccc3[nH]2)c1,2335561,MOL,0,,
CHEMBL4297592,Cc1cccc(C)c1N(CC(=O)Nc1ccc(-c2ncon2)cc1)C(=O)C1CCS(=O)(=O)CC1,2335563,MOL,0,,
CHEMBL4297594,CC(C)OCCn1c(=S)[nH]c(=O)c2[nH]ccc21,2335565,MOL,0,,
CHEMBL4297598,C[C@@H](C(=O)Nc1ccc(Cl)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1,2335569,MOL,0,,
CHEMBL4297605,O=C(CN1CCC(CN2Cc3ccccc3C2=O)CC1)c1ccc(F)cc1,2335576,MOL,0,,
CHEMBL4297606,COc1ccc(-c2cc(=O)c3c(OC)cc(OCC(=O)O)cc3o2)cc1OC,2335577,MOL,0,,
CHEMBL4297608,C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)[C@@H](OCCCO)[C@@H]1O,2335579,MOL,0,,
CHEMBL4297611,CC(C)(NC(=O)O[C@@H]1CN2CCC1CC2)c1csc(-c2ccc(F)cc2)n1,2335582,MOL,0,,
CHEMBL4297613,O=C(O)c1ccnc(N2CC(O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1,2335584,MOL,0,,
CHEMBL4297615,CCOc1c([C@H](C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(F)c1[C@@H]1CNC(=O)C1,2335586,MOL,0,,
CHEMBL4297619,O=C(O)CNC(=O)c1c(O)cc(CCc2ccccc2)n2ncnc12,2335590,MOL,0,,
CHEMBL4297620,NC(=O)OC[C@H](N)Cc1ccccc1,2335591,MOL,0,,2019.0
CHEMBL4297621,C[C@@H](N[C@H]1CCN(c2ccc(CC(=O)O)cc2)C1)c1cccc2ccccc12,2335592,MOL,0,,
CHEMBL4297622,C[C@@H]1OC(=O)N[C@@H]1C(=O)N[C@@H](Cc1cscn1)C(=O)N1CCC[C@H]1C,2335593,MOL,0,,
CHEMBL4297632,COCCOCCOCCOCCOCCOCCO[C@H]1CCC2(O)[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5,2335603,MOL,0,,
CHEMBL4297634,,2335605,NONE,0,,
CHEMBL4297639,CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5cncc(-c6cccc(F)c6)c5[nH]4)c3c2)c1,2335610,MOL,0,,
CHEMBL4297646,Fc1cc(F)c(OCc2ccccc2C2CCNCC2)c(F)c1,2335617,MOL,0,,
CHEMBL4297647,CC(C)Oc1ccc(-c2nc(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)c3oc4ccccc4c3n2)cc1,2335618,MOL,0,,
CHEMBL4297650,CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CC(=O)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(N)=O)[C@H](C)O)[C@H](C)O,2335621,MOL,0,,
CHEMBL4297653,[Ba],2335624,MOL,0,,
CHEMBL4297654,N=C(N)NC(=N)N,2335625,MOL,0,,
CHEMBL4297657,CC(=O)O.CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2,2335628,MOL,0,,
CHEMBL4297658,O=C(O)[C@@H]1CCCN1.OC[C@H]1O[C@@H](c2ccc(F)c(Cc3cc4ccccc4s3)c2)[C@H](O)[C@@H](O)[C@@H]1O,2335629,MOL,0,,
CHEMBL4297663,Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O.Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1,2335634,MOL,0,,
CHEMBL4297666,CC(C)OC(=O)CNc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)n1,2335637,MOL,0,,
CHEMBL4297671,,2335642,NONE,0,,
CHEMBL4297673,CN(CC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1)C(=O)CNC(=O)CN.Cl,2335644,MOL,0,,
CHEMBL4297678,CC(O)COC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](OCC(C)O)[C@@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](COCC(C)O)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](COCC(C)O)O[C@H](O[C@H]1C[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)O[C@@H]3CO,2335649,MOL,0,,
CHEMBL4297684,,2335655,NONE,0,,
CHEMBL4297699,,2335670,NONE,0,,
CHEMBL4297700,,2335671,NONE,0,,
CHEMBL4297711,,2335682,NONE,0,,
CHEMBL4297715,,2335686,NONE,0,,
CHEMBL4297716,,2335687,NONE,0,,
CHEMBL4297717,,2335688,NONE,0,,
CHEMBL4297723,,2335694,SEQ,0,,2018.0
CHEMBL4297724,,2335695,NONE,0,,
CHEMBL4297727,,2335698,NONE,0,,
CHEMBL4297729,,2335700,NONE,0,,
CHEMBL4297730,,2335701,NONE,0,,
CHEMBL4297731,,2335702,NONE,0,,
CHEMBL4297734,,2335705,SEQ,1,,2019.0
CHEMBL4297741,,2335712,NONE,0,,
CHEMBL4297742,,2335713,NONE,0,,
CHEMBL4297747,,2335718,NONE,0,,
CHEMBL4297750,,2335721,NONE,0,,
CHEMBL4297751,,2335722,NONE,0,,
CHEMBL4297753,,2335724,NONE,0,,
CHEMBL4297754,,2335725,NONE,0,,
CHEMBL4297756,,2335727,SEQ,0,,2018.0
CHEMBL4297760,,2335731,NONE,1,,
CHEMBL4297761,,2335732,SEQ,0,,
CHEMBL4297762,,2335733,NONE,0,,2019.0
CHEMBL4297764,,2335735,NONE,0,,
CHEMBL4297767,,2335738,NONE,0,,
CHEMBL4297768,,2335739,NONE,0,,
CHEMBL4297770,,2335741,NONE,1,,
CHEMBL4297774,,2335745,NONE,0,,
CHEMBL4297778,,2335749,SEQ,0,,2021.0
CHEMBL4297779,,2335750,NONE,1,,
CHEMBL4297787,,2335758,NONE,0,,
CHEMBL4297788,,2335759,NONE,0,,
CHEMBL4297794,,2335765,NONE,0,,
CHEMBL4297801,,2335772,NONE,0,,
CHEMBL4297802,,2335773,NONE,1,,2018.0
CHEMBL4297803,,2335774,NONE,0,,
CHEMBL4297811,,2335782,NONE,0,,
CHEMBL4297814,,2335785,NONE,0,,
CHEMBL4297817,,2335788,NONE,0,,
CHEMBL4297818,,2335789,NONE,0,,
CHEMBL4297819,,2335790,NONE,0,,
CHEMBL4297820,,2335791,NONE,0,,
CHEMBL4297828,,2335799,NONE,0,,
CHEMBL4297829,,2335800,NONE,0,,
CHEMBL4297830,,2335801,NONE,0,,
CHEMBL4297831,,2335802,NONE,0,,
CHEMBL4297832,,2335803,NONE,0,,
CHEMBL4297839,,2335810,SEQ,0,,
CHEMBL4297840,,2335811,NONE,0,,
CHEMBL4297841,,2335812,NONE,0,,
CHEMBL4297843,,2335814,NONE,0,,
CHEMBL4297844,,2335815,NONE,0,,2019.0
CHEMBL4297846,,2335817,NONE,0,,
CHEMBL4297849,C[C@@H]1CN(c2nc(-n3ccc(OCCC4(C(F)(F)F)CC4)n3)ccc2C(=O)NS(=O)(=O)c2ccccc2)C(C)(C)C1,2335820,MOL,0,,
CHEMBL4297852,,2335823,NONE,1,,2018.0
CHEMBL4297855,,2335826,NONE,0,,
CHEMBL4297862,,2335833,NONE,0,,
CHEMBL4297864,,2335835,NONE,0,,
CHEMBL4297865,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3[nH]ccc23)c1,2335836,MOL,0,,
CHEMBL4297866,C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc3[nH]ccc23)c1.O.O.O=C(O)/C=C\C(=O)O,2335837,MOL,0,,
CHEMBL4297869,,2335840,NONE,0,,
CHEMBL4297873,,2335844,NONE,0,,
CHEMBL4297878,,2335849,NONE,0,,
CHEMBL4297879,,2335850,NONE,0,,
CHEMBL4297911,,2335882,NONE,0,,
CHEMBL4297912,,2335883,NONE,0,,
CHEMBL4297919,,2335890,NONE,0,,
CHEMBL4297924,,2335895,NONE,0,,
CHEMBL4297925,,2335896,SEQ,0,,
CHEMBL4297927,,2335898,NONE,0,,
CHEMBL4297928,,2335899,SEQ,0,,
CHEMBL4297932,,2335903,NONE,0,,
CHEMBL4297934,,2335905,NONE,0,,
CHEMBL4297939,,2335910,NONE,0,,
CHEMBL4297940,,2335911,NONE,0,,
CHEMBL4297943,,2335914,NONE,0,,
CHEMBL4297946,,2335917,NONE,0,,
CHEMBL4297947,,2335918,NONE,0,,
CHEMBL4297949,,2335920,NONE,0,,
CHEMBL4297950,,2335921,NONE,0,,
CHEMBL4297951,,2335922,NONE,0,,
CHEMBL4297953,,2335924,NONE,0,,
CHEMBL4297955,,2335926,NONE,0,,
CHEMBL4297957,,2335928,NONE,0,,
CHEMBL4297958,,2335929,NONE,0,,
CHEMBL4297959,,2335930,NONE,0,,
CHEMBL4297963,,2335934,NONE,0,,
CHEMBL4297964,,2335935,NONE,0,,
CHEMBL4297969,,2335940,NONE,0,,
CHEMBL4297973,,2335944,NONE,0,,
CHEMBL4297975,,2335946,NONE,0,,
CHEMBL4297977,,2335948,NONE,0,,
CHEMBL4297981,,2335952,NONE,0,,
CHEMBL4297984,,2335955,NONE,0,,2020.0
CHEMBL4297985,,2335956,NONE,0,,
CHEMBL4297988,,2335959,NONE,0,,
CHEMBL4297994,,2335965,NONE,0,,
CHEMBL4297997,,2335968,NONE,0,,
CHEMBL4298001,,2335972,NONE,0,,
CHEMBL4298005,,2335976,NONE,0,,
CHEMBL4298007,,2335978,NONE,0,,
CHEMBL4298010,,2335981,NONE,0,,
CHEMBL4298024,,2335995,NONE,0,,
CHEMBL4298037,,2336008,NONE,0,,
CHEMBL4298042,,2336013,NONE,0,,
CHEMBL4298046,,2336017,NONE,0,,
CHEMBL4298047,,2336018,NONE,1,,2020.0
CHEMBL4298050,,2336021,NONE,0,,
CHEMBL4298052,,2336023,SEQ,0,,
CHEMBL4298054,,2336025,NONE,0,,
CHEMBL4298058,,2336029,NONE,0,,
CHEMBL4298062,,2336033,NONE,0,,2020.0
CHEMBL4298065,,2336036,NONE,0,,
CHEMBL4298071,,2336042,NONE,0,,
CHEMBL4298074,,2336045,NONE,0,,
CHEMBL4298075,,2336046,NONE,0,,
CHEMBL4298078,,2336049,NONE,0,,
CHEMBL4298080,,2336051,NONE,0,,
CHEMBL4298086,,2336057,NONE,0,,
CHEMBL4298092,,2336063,NONE,0,,
CHEMBL4298098,,2336069,NONE,0,,
CHEMBL4298106,,2336077,NONE,0,,
CHEMBL4298110,,2336081,NONE,0,,2019.0
CHEMBL4298124,,2336095,SEQ,0,,2021.0
CHEMBL4298125,,2336096,NONE,0,,
CHEMBL4298126,,2336097,NONE,0,,
CHEMBL4298128,Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC(C)(C)C(F)(F)F)n2)nc1N1C[C@@H](C)CC1(C)C,2336099,MOL,0,,2019.0
CHEMBL4298129,,2336100,NONE,0,,
CHEMBL4298137,CC1=C[C@@H]2CN(C(=O)N2OS(=O)(=O)O)[C@@H]1C(N)=O,2336108,MOL,0,,
CHEMBL4298139,COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1C(=O)OC[n+]1cccc(C(=O)N[C@@H](CO)C(=O)O)c1.[Cl-],2336110,MOL,0,,2021.0
CHEMBL4298150,CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1.CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1.O=C(O)/C=C/C(=O)O,2336121,MOL,0,,2019.0
CHEMBL4298176,,2336147,NONE,0,,
CHEMBL4298178,,2336149,NONE,0,,
CHEMBL4298180,,2336151,NONE,0,,
CHEMBL4298183,,2336154,NONE,1,,2020.0
CHEMBL4298184,,2336155,NONE,1,,2020.0
CHEMBL4298185,,2336156,NONE,0,,
CHEMBL4298187,,2336158,NONE,0,,2020.0
CHEMBL4298188,,2336159,NONE,1,,2020.0
CHEMBL4298190,,2336161,NONE,0,,
CHEMBL4298191,,2336162,NONE,0,,
CHEMBL4298195,,2336166,NONE,0,,
CHEMBL4298196,,2336167,NONE,0,,
CHEMBL4298199,,2336170,NONE,0,,
CHEMBL4298207,,2336178,NONE,0,,
CHEMBL4298209,,2336180,NONE,1,,2020.0
CHEMBL4298211,,2336182,NONE,0,,
CHEMBL429876,CC(C)[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N1C,433425,BOTH,0,,
CHEMBL429910,CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,441579,MOL,0,,2014.0
CHEMBL4299851,O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(F)nc1)C(=O)O)C(=O)O,2337802,MOL,0,,
CHEMBL4299940,O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(CC2CC2)CC1,2337891,MOL,0,,
CHEMBL43,COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12,2580,MOL,0,Antineoplastic,
CHEMBL430,CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN,1853,MOL,0,,2003.0
CHEMBL4300244,,2338195,NONE,0,,
CHEMBL4301492,COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C/C=C/I,2339443,MOL,0,,
CHEMBL4303060,CCOC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)Cc1ccc(N(CCCl)CCCl)cc1,2341011,MOL,0,,2021.0
CHEMBL4303214,CNC(=O)c1c(C)oc2cc(Oc3ncnc4cc(OC)c(OC)cc34)ccc12,2341085,MOL,0,,
CHEMBL4303288,Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1.Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1.O=S(=O)(O)O,2341159,MOL,0,,1998.0
CHEMBL4303404,Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(N)=O,2341275,MOL,0,,
CHEMBL43048,CNC(C)Cc1ccc2c(c1)OCO2,66613,MOL,0,,
CHEMBL43064,C(=C/c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1,66311,MOL,0,Antihistaminic,
CHEMBL431,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2,1967,MOL,0,Enzyme Inhibitor (angiotensin-converting),1994.0
CHEMBL43128,COc1cc(NC(C)CCCN)c2ncccc2c1.O=P(O)(O)O.O=P(O)(O)O,58232,MOL,0,Antimalarial,1952.0
CHEMBL431701,COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O,47766,MOL,0,,
CHEMBL431770,CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)c(OC)c3)n2C)n(CC)c1=O,122252,MOL,1,,2019.0
CHEMBL433,CCCC(CCC)C(=O)[O-].[Na+],1991,MOL,0,Anticonvulsant,1996.0
CHEMBL434,CC(C)NCC(O)c1ccc(O)c(O)c1,1994,MOL,0,Bronchodilator,1956.0
CHEMBL434200,CC(C)(C)NCC(O)COc1cccc2c1SCCC2,36633,MOL,0,,
CHEMBL434394,OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1,27569,MOL,0,Antihypertensive (beta-blocker),2007.0
CHEMBL43452,Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O,63100,MOL,0,,2013.0
CHEMBL435,NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O,2045,MOL,0,Diuretic,1959.0
CHEMBL435191,O=C1c2c(c3c4ccc(O)cc4n([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NC(CO)CO,222232,MOL,0,,
CHEMBL435224,COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(=O)O)CC3)C(=O)N(CC(C)(C)COC(C)=O)c3ccc(Cl)cc32)c1OC,235143,MOL,0,,
CHEMBL435298,C[C@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1,317541,MOL,0,,
CHEMBL435883,CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)[O-])c3O[C@H]2C[C@H]1O.[Na+],318711,MOL,0,Platelet Aggregation Inhibitor,
CHEMBL435966,O=[N+]([O-])c1cncn1CCN1CCOCC1,99368,MOL,0,,
CHEMBL436,COc1ccc2c(C(=S)N(C)CC(=O)O)cccc2c1C(F)(F)F,2084,MOL,0,Inhibitor (aldose reductase),
CHEMBL437,Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,2095,MOL,0,Antibacterial,1945.0
CHEMBL43708,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12.O,610112,MOL,0,Antibacterial,1985.0
CHEMBL437765,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,398458,MOL,0,,2018.0
CHEMBL438,Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1,2130,MOL,0,Antibacterial,1982.0
CHEMBL438497,NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1,399997,MOL,0,,
CHEMBL439,Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,2131,MOL,0,"Anti-Infective, Topical,Antibacterial",1941.0
CHEMBL439849,N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1,312971,MOL,0,,2011.0
CHEMBL440,C=CCC1(C(C)CCC)C(=O)N=C(S)NC1=O,2132,MOL,0,Anesthetic (intravenous),1982.0
CHEMBL440294,NC(=O)C1(N2CCCCC2)CCN(CCCC(=O)c2ccc(F)cc2)CC1,65538,MOL,0,Antipsychotic,
CHEMBL441,CCCC(C)C1(CC)C(=O)NC(=S)NC1=O,2166,MOL,0,Anesthetic (intravenous); Anticonvulsant,1982.0
CHEMBL441738,CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C,54825,BOTH,1,,2019.0
CHEMBL442,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21,2203,MOL,0,Analgesic (specific in migraine),1948.0
CHEMBL443,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,2247,MOL,0,Antibacterial,1973.0
CHEMBL443052,OB1OCc2cc(F)ccc21,353270,MOL,1,,2014.0
CHEMBL4435170,[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC,2342179,MOL,0,,
CHEMBL44354,CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3ccccc3)CS[C@H]12)c1csc(N)n1)C(=O)O,61682,MOL,0,Antibacterial,1985.0
CHEMBL443605,CCCCCCc1ccc(O)cc1O,471514,MOL,0,Anthelmintic,
CHEMBL443684,CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1,508147,MOL,0,,
CHEMBL4437054,CS(=O)(=O)CCCn1c(Cn2c(=O)n(CC(F)(F)F)c3ccncc32)cc2cc(Cl)ccc21,2344063,MOL,0,,
CHEMBL444,CCC1(CC)C(=O)NC(=O)NC1=O,2256,MOL,0,,
CHEMBL444172,O[C@@H](COc1cccc2ncccc12)CN1CCN([C@@H]2c3ccccc3[C@@H]3[C@H](c4ccccc42)C3(F)F)CC1,517186,MOL,0,,
CHEMBL444186,CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1,454214,MOL,0,,
CHEMBL444633,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O,397074,MOL,0,Antibacterial (antimycobacterial),1992.0
CHEMBL444814,NC(=O)NCCC[C@H](N)C(=O)O,454243,MOL,0,,
CHEMBL444929,CC(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](NCCCNCCCCN)C[C@@H]1C[C@H]3O)OS(=O)(=O)O,502254,MOL,0,,
CHEMBL445,CNCCC=C1c2ccccc2CCc2ccccc21,2262,MOL,0,Antidepressant,1964.0
CHEMBL446,Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,2265,MOL,0,Antibacterial,1949.0
CHEMBL446061,OCCN(CCO)CCO,460417,MOL,0,Pharmaceutic Aid (alkalizing agent); Analgesic,
CHEMBL446143,NCCC[C@H](N)C(=O)O,84680,MOL,0,,
CHEMBL44618,ClC(Cl)Cl,67839,MOL,0,,
CHEMBL446452,c1ccc2c(Cc3c[nH]c4ccccc34)c[nH]c2c1,386903,MOL,0,,
CHEMBL44657,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O,68607,MOL,0,Antineoplastic,1983.0
CHEMBL446785,CC(/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,484345,MOL,0,,
CHEMBL4468815,Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)nc(NCC3(N)COC3)c2c1,2375824,MOL,0,,
CHEMBL447,C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O,2326,MOL,0,Sedative-Hypnotic,1950.0
CHEMBL447629,O[C@H](CBr)[C@@H](O)[C@H](O)[C@H](O)CBr,453566,MOL,0,,
CHEMBL447868,O=C([O-])c1ccccc1O.[Na+],464003,MOL,0,Analgesic,
CHEMBL447955,C[C@@H](O[C@H]1CC[C@@H]2CN(C3=CC(=O)CC3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,519979,MOL,0,,
CHEMBL448,CCCC(C)C1(CC)C(=O)NC(=O)NC1=O,2327,MOL,0,Sedative-Hypnotic,1973.0
CHEMBL44884,CC[C@@H](CO)NCCN[C@@H](CC)CO,67617,MOL,0,Antibacterial (tuberculostatic),1967.0
CHEMBL449,CCC(C)C1(CC)C(=O)NC(=O)NC1=O,2393,MOL,0,Sedative-Hypnotic,1939.0
CHEMBL449317,COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)cc1O,442830,MOL,0,,
CHEMBL45,COc1ccc2[nH]cc(CCNC(C)=O)c2c1,3012,MOL,0,,
CHEMBL450,CCC1(CC)C(=O)NC(=O)N(C)C1=O,2408,MOL,0,,1982.0
CHEMBL45029,CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O,65567,MOL,0,Anticonvulsant; Sedative-Hypnotic,
CHEMBL450449,COc1cc2c(cc1O)CCN[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H](O)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4,493099,MOL,0,,2015.0
CHEMBL450895,C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/CC/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2,444572,MOL,0,,1964.0
CHEMBL451,CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1,2431,MOL,1,"Sedative-Hypnotic,Tranquilizer (minor)",1960.0
CHEMBL451887,CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1,520664,BOTH,0,,2009.0
CHEMBL451930,CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)=O)[C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@H](C(C)C)OC(=O)C[C@@H]1O,484950,MOL,0,,
CHEMBL452,O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1,2465,MOL,0,Anticonvulsant,1975.0
CHEMBL452076,COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1,451341,MOL,0,,
CHEMBL452231,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O,453046,MOL,0,Antineoplastic,1992.0
CHEMBL4524066,CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O,2394512,MOL,0,,2010.0
CHEMBL453,Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C,2484,MOL,0,Antibacterial,1971.0
CHEMBL453514,CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O,497011,MOL,0,,
CHEMBL4535757,C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1,2406188,MOL,0,,
CHEMBL454,C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O,2524,MOL,0,Sedative-Hypnotic,1983.0
CHEMBL454446,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(/C=C\c3scnc3C)CS[C@H]12)c1csc(N)n1,506444,MOL,0,,2001.0
CHEMBL454801,COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O,502152,MOL,0,,
CHEMBL454950,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.Cl,455284,MOL,0,Anti-Amebic; Antirickettsial; Antibacterial,1953.0
CHEMBL455,CC(=O)NS(=O)(=O)c1ccc(N)cc1,2525,MOL,0,Antibacterial,1945.0
CHEMBL455136,CNC(=O)[C@@H](c1ccccc1)N1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1,455140,MOL,0,,
CHEMBL455186,CS(=O)(=O)OC[C@H](O)[C@@H](O)COS(C)(=O)=O,452239,MOL,0,,
CHEMBL4558324,C=CC(=O)Nc1cc(Nc2nccc(-n3cc(CN(C)C)c(-c4ccccc4)n3)n2)c(OC)cc1N1CCOCC1,2428752,MOL,0,,
CHEMBL4559134,COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)cn1,2429562,MOL,0,,2020.0
CHEMBL455917,OC(O)C(Cl)(Cl)Cl,453652,MOL,0,Sedative-Hypnotic,
CHEMBL456,C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl,2654,MOL,0,Diuretic,1967.0
CHEMBL456341,CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C(=O)O)C[C@@H]21,512450,MOL,0,,
CHEMBL4563522,CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O,2433950,MOL,0,,
CHEMBL457,Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1,2994,MOL,0,Antihyperlipidemic,1981.0
CHEMBL457299,OCCO,466350,MOL,0,,
CHEMBL457547,CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)O)c5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)no2)cc1,500520,MOL,0,,2005.0
CHEMBL45816,COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C,72035,MOL,0,Vasodilator,1997.0
CHEMBL4582651,CO[C@]1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CC[C@H](c2nc(C)cc(Nc3cc(C)[nH]n3)n2)CC1,2453082,MOL,0,,2020.0
CHEMBL4585668,CS(=O)(=O)c1ccc(Oc2cc(F)cc(C#N)c2)c2c1[C@H](O)[C@H](F)[C@@H]2F,2456099,MOL,0,,
CHEMBL458875,Cc1cn([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)c(=O)[nH]c1=O,496771,MOL,0,,
CHEMBL459,C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O,3730,MOL,0,Antihypertensive,1962.0
CHEMBL459265,CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1,504234,MOL,0,"Anti-Infective, Topical",1982.0
CHEMBL459324,CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,472505,MOL,0,,
CHEMBL4594214,CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@@H](C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC3=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O,2464645,MOL,0,,2004.0
CHEMBL4594217,Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1.O,2464648,MOL,1,,2011.0
CHEMBL4594222,,2464653,NONE,0,,1990.0
CHEMBL4594230,,2464661,SEQ,0,,
CHEMBL4594231,CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(CCOCCOCCOCCOCCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I,2464662,MOL,0,,
CHEMBL4594240,,2464671,NONE,0,,
CHEMBL4594241,,2464672,NONE,0,,1990.0
CHEMBL4594242,,2464673,NONE,0,,
CHEMBL4594244,,2464675,NONE,0,,
CHEMBL4594246,CCC(CC)C(=O)OCOC(=O)C1=C(S[C@H]2CC[S+]([O-])C2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12,2464677,MOL,0,,
CHEMBL4594248,CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O)C(C)C,2464679,MOL,0,,1986.0
CHEMBL4594250,Cc1ccc(C(=O)OCc2ccc([C@@H](CN)C(=O)Nc3ccc4cnccc4c3)cc2)c(C)c1,2464681,MOL,1,,2017.0
CHEMBL4594251,CS(=O)(=O)O.CS(=O)(=O)O.Cc1ccc(C(=O)OCc2ccc([C@@H](CN)C(=O)Nc3ccc4cnccc4c3)cc2)c(C)c1,2464682,MOL,1,,2017.0
CHEMBL4594252,O=[Al]O[Al]=O,2464683,MOL,0,,
CHEMBL4594256,,2464687,NONE,0,,
CHEMBL4594259,,2464690,NONE,0,,
CHEMBL4594260,Br.CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1,2464691,MOL,1,,2020.0
CHEMBL4594261,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H]([18F])[C@@H]2O,2464692,MOL,0,,2020.0
CHEMBL4594262,CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=C(O)c1ccccc1,2464693,MOL,0,,2019.0
CHEMBL4594263,,2464694,NONE,0,,2004.0
CHEMBL4594264,,2464695,NONE,0,,2019.0
CHEMBL4594265,,2464696,NONE,1,,2019.0
CHEMBL4594271,N#Cc1cccc(C(NCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(CN)c3)c2)c1,2464702,MOL,0,,2020.0
CHEMBL4594272,Cl.Cl.N#Cc1cccc(C(NCC2CC2)c2ccc(F)c(NC(=O)c3cc(C(F)(F)F)nn3-c3cccc(CN)c3)c2)c1,2464703,MOL,0,,2020.0
CHEMBL4594284,,2464715,NONE,0,,
CHEMBL4594287,COc1cc2c(cc1OC)-c1c/c(=N\c3c(C)cc(C)cc3C)n(CCNC(N)=O)c(=O)n1CC2,2464718,MOL,0,,
CHEMBL4594288,CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl.O=C(O)/C=C\C(=O)O,2464719,MOL,0,,2019.0
CHEMBL4594292,CN1CCC(COc2cnc(-c3cccc(Cn4nc(-c5cccc(C#N)c5)ccc4=O)c3)nc2)CC1.Cl.O,2464723,MOL,0,,2021.0
CHEMBL4594300,Br.Nc1nc(=O)c2c([nH]1)N[C@@H]1O[C@@H]3COP(=O)(O)O[C@@H]3C(O)(O)[C@@H]1N2.O.O,2464731,MOL,1,,2021.0
CHEMBL4594301,COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Br)ccc2-n2c(C)cnc21.O=S(=O)(O)c1ccccc1,2464732,MOL,0,,2020.0
CHEMBL4594312,,2464743,NONE,0,,
CHEMBL4594315,,2464746,NONE,0,,
CHEMBL4594316,,2464747,SEQ,0,,
CHEMBL4594329,,2464760,SEQ,0,,
CHEMBL4594334,,2464765,NONE,0,,
CHEMBL4594338,,2464769,NONE,0,,
CHEMBL4594340,,2464771,NONE,0,,
CHEMBL4594350,C=C(F)C(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N,2464781,MOL,0,,
CHEMBL4594354,,2464785,NONE,0,,
CHEMBL4594379,N[C@@H](Cc1ccc(OP(=O)(O)O)c(O)c1)C(=O)O,2464810,MOL,0,,
CHEMBL4594381,[2H]C1([2H])C([C@@H](CC#N)n2cc(-c3ncnc4[nH]ccc34)cn2)C([2H])([2H])C([2H])([2H])C1([2H])[2H],2464812,MOL,0,,
CHEMBL4594388,,2464819,SEQ,0,,2020.0
CHEMBL4594393,O=C([O-])CCCO.O=C([O-])CCCO.[Ca+2],2464824,MOL,0,,2020.0
CHEMBL4594394,O=C([O-])CCCO.O=C([O-])CCCO.[Mg+2],2464825,MOL,0,,2020.0
CHEMBL4594395,O=C([O-])CCCO.[K+],2464826,MOL,0,,2020.0
CHEMBL4594401,CC1=NN(c2ccc3c(c2)CCCC3)C(=O)/C1=N\Nc1cccc(-c2ccc(C(=O)O)o2)c1O,2464832,MOL,0,,
CHEMBL4594406,,2464837,NONE,0,,
CHEMBL4594417,CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2F)C(=S)N1c1ccc(CCCc2ncco2)nc1,2464848,MOL,0,,
CHEMBL4594421,[2H]C([2H])([2H])NC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F,2464852,MOL,0,,
CHEMBL4594445,CNCc1cn(S(=O)(=O)c2cccc(F)c2)c(-c2ccc(F)cc2F)c1OC,2464876,MOL,0,,
CHEMBL4594446,O=C(c1cc(Cl)c(O)c(Cl)c1)N1CS(=O)(=O)c2ccccc21,2464877,MOL,0,,
CHEMBL4594448,CCO[C@H]1CCN(Cc2c(OC)cc(C)c3[nH]ccc23)[C@H](c2ccc(C(=O)O)cc2)C1,2464879,MOL,0,,
CHEMBL4594453,CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C.N[C@@H](CC(=O)O)C(=O)O,2464884,MOL,0,,
CHEMBL4594458,,2464889,NONE,0,,
CHEMBL4594462,,2464893,NONE,0,,
CHEMBL4594468,,2464899,NONE,0,,
CHEMBL4594471,,2464902,NONE,0,,
CHEMBL4594511,,2464942,NONE,0,,
CHEMBL4594526,,2464957,NONE,0,,
CHEMBL4594550,,2464981,NONE,0,,
CHEMBL4594554,,2464985,NONE,0,,
CHEMBL4594565,,2464996,NONE,0,,
CHEMBL4594566,,2464997,NONE,0,,
CHEMBL4594575,,2465006,NONE,0,,
CHEMBL4594584,,2465015,NONE,0,,
CHEMBL4594594,,2465025,NONE,0,,
CHEMBL4594598,,2465029,NONE,0,,
CHEMBL4594599,,2465030,NONE,0,,
CHEMBL4594600,,2465031,NONE,0,,
CHEMBL4594603,,2465034,NONE,0,,
CHEMBL4594605,,2465036,NONE,0,,
CHEMBL4594607,,2465038,NONE,0,,
CHEMBL46,Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O,3183,MOL,0,Anti-Anxiety Agent; Anti-Emetic; Antischizophrenic,1991.0
CHEMBL460,CCc1c(C)[nH]c2c1C(=O)C(CN1CCOCC1)CC2,3799,MOL,0,Antipsychotic,1974.0
CHEMBL460026,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,446432,MOL,0,,
CHEMBL460287,C(COCCOCC1CO1)OCCOCC1CO1,453486,MOL,0,,
CHEMBL460291,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1/C=C/C(=O)OC(C)(C)C,453548,MOL,0,Antihypertensive,
CHEMBL46058,CCCl,67784,MOL,0,Anesthetic (topical),
CHEMBL461101,CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(C(=O)O)c2)c1O,457398,MOL,0,,2008.0
CHEMBL461332,CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@]2(C(=O)CO)O1,452532,MOL,0,Glucocorticoid,
CHEMBL461522,Cc1c(N(C)CS(=O)(=O)O)c(=O)n(-c2ccccc2)n1C,453508,MOL,0,Analgesic; Antipyretic,
CHEMBL462019,O=P1(N(CCCl)CCCl)OCCCN1CCCl,452472,MOL,0,,
CHEMBL462394,CC(=O)Nc1c(I)c(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(I)c(N(C)C(C)=O)c1I,453512,MOL,0,,1978.0
CHEMBL462547,CCOC(N)=O,452538,MOL,0,,
CHEMBL46257,NCCCCN,71335,MOL,0,,
CHEMBL462605,Clc1ccc(CCCOCCCN2CCCCC2)cc1,454365,MOL,1,,2019.0
CHEMBL46286,COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4,69277,MOL,1,,2009.0
CHEMBL463,Nc1ccc(C(=O)NCC(=O)O)cc1,4011,MOL,0,Diagnostic Aid (renal function determination),
CHEMBL463763,CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2O,345080,MOL,0,,
CHEMBL46399,CC1C2Cc3ccc(O)cc3C1(C)CCN2CCc1ccccc1,65590,MOL,0,,
CHEMBL464,CCOC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C,4193,MOL,0,Antipsoriatic,1986.0
CHEMBL46469,O=C1c2c(O)cccc2Cc2cccc(O)c21,66687,MOL,0,Antipsoriatic,
CHEMBL464982,CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,503630,MOL,0,,
CHEMBL465,CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21,4496,MOL,0,Anti-Emetic,1985.0
CHEMBL4650214,CN1CCC(c2ccccc2CC(C)(C)Nc2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1,2486474,MOL,0,,
CHEMBL465026,CN1CCOC(c2ccccc2)c2ccccc2C1,458338,MOL,0,Analgesic,
CHEMBL4650272,CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCCC3)CNC5=O)nc2)CC1.Cl.Cl,2486532,MOL,1,,2021.0
CHEMBL4650273,CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](C)NC1=O.CC(=O)O.CC(=O)O,2486533,MOL,1,,2020.0
CHEMBL4650274,,2486534,NONE,0,,2021.0
CHEMBL4650275,,2486535,NONE,1,,2020.0
CHEMBL4650276,CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(OC[C@@H](O)CO)cc1,2486536,MOL,0,,
CHEMBL4650299,,2486559,NONE,0,,
CHEMBL4650316,C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCCF)C3)cc2F)N1CC(F)(F)CO,2486576,MOL,0,,
CHEMBL4650319,C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C,2486579,MOL,0,,
CHEMBL4650323,C=CC(=O)N1CCC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccc32)C1,2486583,MOL,0,,
CHEMBL4650326,C(=C/c1cccs1)\c1cc[nH]n1,2486586,MOL,0,,
CHEMBL4650337,CNC[C@@H]1OCCc2ccsc21,2486597,MOL,0,,
CHEMBL4650347,COCCCOc1cccc(C[S+]([O-])c2nc3cc4c(cc3[n-]2)OCC4)c1C.[Na+],2486607,MOL,0,,
CHEMBL4650349,O=C(c1ccc(F)cc1)c1ccccc1N[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccccc32)cc1)C(=O)O,2486609,MOL,0,,
CHEMBL4650351,O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1,2486611,MOL,0,,
CHEMBL4650354,N=C(N)NCc1cccc([18F])c1,2486614,MOL,0,,
CHEMBL4650365,C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F,2486625,MOL,0,,
CHEMBL4650379,,2486639,SEQ,0,,
CHEMBL4650384,,2486644,NONE,0,,
CHEMBL4650385,,2486645,NONE,0,,
CHEMBL4650392,,2486652,NONE,0,,
CHEMBL4650393,,2486653,NONE,0,,
CHEMBL4650397,,2486657,NONE,0,,
CHEMBL4650400,,2486660,NONE,0,,
CHEMBL4650405,,2486665,NONE,0,,
CHEMBL4650406,,2486666,NONE,0,,
CHEMBL4650410,,2486670,NONE,0,,
CHEMBL4650411,,2486671,NONE,0,,
CHEMBL4650416,,2486676,NONE,0,,
CHEMBL4650429,,2486689,NONE,0,,
CHEMBL4650431,,2486691,NONE,0,,
CHEMBL4650438,,2486698,SEQ,0,,
CHEMBL4650439,,2486699,NONE,0,,
CHEMBL4650447,,2486707,NONE,0,,
CHEMBL4650466,,2486726,NONE,0,,
CHEMBL4650469,,2486729,NONE,0,,
CHEMBL4650472,,2486732,NONE,0,,
CHEMBL4650483,,2486743,NONE,0,,
CHEMBL4650485,COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn([C@@H](C)C(F)(F)F)c(N)c2C(N)=O)cc1,2486745,MOL,0,,
CHEMBL4650488,,2486748,SEQ,0,,
CHEMBL4650491,,2486751,NONE,0,,
CHEMBL4650503,,2486763,NONE,0,,
CHEMBL4650524,,2486784,NONE,0,,
CHEMBL46516,O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2,66238,MOL,0,Antipsychotic,
CHEMBL46618,COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cc[n+]([O-])cc2)cc1,67105,MOL,0,,
CHEMBL466659,O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],479621,MOL,0,Vasodilator,
CHEMBL467,NC(=O)NO,4730,MOL,0,Antineoplastic,1967.0
CHEMBL467058,CCCCCCCC(=O)OC[C@@H](O)[C@@H](OC)[C@@H]1OC(C(=O)O)=C[C@H](NC(=N)N)[C@H]1NC(C)=O,479445,MOL,0,,
CHEMBL46740,Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12,65648,MOL,0,,2009.0
CHEMBL468,O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1,5028,MOL,0,Sedative-Hypnotic,1998.0
CHEMBL469,O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O,5080,MOL,0,Analgesic,1989.0
CHEMBL46917,CNC(=O)Oc1cccc2ccccc12,66028,MOL,0,,
CHEMBL470670,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O,445611,MOL,0,,
CHEMBL471,CC(C)NCC(O)c1ccc(NS(C)(=O)=O)cc1,5528,MOL,0,Anti-Adrenergic (beta-receptor),1992.0
CHEMBL471498,O=C(O)[C@H](CC(=O)N1C[C@H]2CCCC[C@H]2C1)Cc1ccccc1,451662,MOL,0,,
CHEMBL471737,COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2,448872,MOL,1,,2015.0
CHEMBL472,COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,5582,MOL,0,Antidiabetic,1984.0
CHEMBL473,CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1,5638,MOL,0,Cardiac Depressant (anti-arrhythmic),1999.0
CHEMBL473159,Oc1cc(O)cc(O)c1,459125,MOL,0,,
CHEMBL473417,CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1,460092,MOL,1,,2012.0
CHEMBL473659,CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C,445892,MOL,0,,
CHEMBL474579,CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21,458729,MOL,0,Antibacterial,1985.0
CHEMBL475534,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1,453570,MOL,0,Antihypertensive,
CHEMBL476,CN(C)/N=N/c1[nH]cnc1C(N)=O,5772,MOL,0,Antineoplastic,1975.0
CHEMBL476960,OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O,490151,MOL,0,,
CHEMBL477,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,5797,MOL,0,Cardiac Depressant (anti-arrhythmic),1989.0
CHEMBL477772,Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O,489525,MOL,0,,2009.0
CHEMBL479,CSc1ccc2c(c1)N(CCC1CCCCN1C)c1ccccc1S2,5970,MOL,0,"Antipsychotic; Sedative-Hypnotic,Sedative-Hypnotic; Antipsychotic",1962.0
CHEMBL479527,CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)C[C@H]1CC,517982,MOL,0,,
CHEMBL480,Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1,5975,MOL,0,Anti-Ulcerative,1995.0
CHEMBL481,CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC,5985,MOL,0,Antineoplastic (DNA topoisomerase I Inhibitor),1996.0
CHEMBL481611,CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1,474601,MOL,0,,
CHEMBL481958,CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O.Cl,467796,MOL,0,,
CHEMBL482950,CC[C@@H](C)Nc1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12,520543,MOL,0,,
CHEMBL483,C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O,6012,MOL,0,,
CHEMBL483158,COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2OC)=NC3)ccc1C(=O)O,520053,MOL,0,,
CHEMBL483254,Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1,499179,MOL,0,,2015.0
CHEMBL48361,Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21,75302,MOL,0,,
CHEMBL484,Nc1ncnc2c1ncn2CCOCP(=O)(O)O,6078,MOL,0,Antiviral,
CHEMBL48449,C[C@]12C(=O)OC(=O)[C@@]1(C)[C@@H]1CC[C@H]2O1,69448,MOL,0,,
CHEMBL484785,N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1,520269,MOL,0,,2016.0
CHEMBL485,COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,6167,MOL,0,"Analgesic (narcotic); Antitussive,Antitussive,Antitussive; Analgesic (narcotic)",1952.0
CHEMBL485253,CCC(CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1,484020,MOL,0,,1962.0
CHEMBL485259,CC12CCC(CC1)C(C)(C)O2,484235,MOL,0,,
CHEMBL485747,OCCCc1ccc(O)c(O)c1,516890,MOL,0,,
CHEMBL48582,CS(=O)(=O)O.C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O,76760,MOL,0,,2017.0
CHEMBL486696,CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1.[Br-],500307,MOL,0,"Anti-Infective, Topical",
CHEMBL486819,CC(=O)O.CC(=O)O.NC(=N\CCCCCC/N=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1,445872,MOL,0,,
CHEMBL487,CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1,6288,MOL,0,Antineoplastic,
CHEMBL487253,Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21,453911,MOL,0,,2008.0
CHEMBL488,CCC1(c2ccc(N)cc2)CCC(=O)NC1=O,6317,MOL,0,Adrenocortical Suppressant; Antineoplastic,1980.0
CHEMBL48802,C[S+]([O-])CCCCN=C=S,75869,MOL,0,,
CHEMBL488025,CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1,451936,MOL,0,,
CHEMBL488093,Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O,453831,MOL,0,,
CHEMBL488280,CCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-],454015,MOL,0,Vasodilator (coronary),
CHEMBL489,CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,6402,MOL,0,,
CHEMBL489095,C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1,454842,MOL,0,,
CHEMBL489411,CCC(C)(C)c1ccc(CC(C)CN2C[C@H](C)O[C@H](C)C2)cc1,499440,MOL,0,Antimycotic,
CHEMBL49,O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,3599,MOL,0,Tranquilizer (minor),1986.0
CHEMBL490,Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1,6643,MOL,0,Antidepressant,1992.0
CHEMBL490665,CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl,514258,MOL,0,,
CHEMBL490672,CCc1cc(CC[C@]2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc(CC)n1,454954,MOL,0,,
CHEMBL49080,CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1,74690,MOL,0,,
CHEMBL491473,COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1,456867,MOL,0,,
CHEMBL491571,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12,460466,MOL,0,,2007.0
CHEMBL492,CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C,6883,MOL,0,Anesthetic (local),1976.0
CHEMBL493,CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12,7065,MOL,0,Enzyme Inhibitor (prolactin),1978.0
CHEMBL493287,N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O,470033,MOL,0,,
CHEMBL493982,CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1,486977,MOL,1,,2014.0
CHEMBL494,CC#CCC(C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O,7494,MOL,0,,2004.0
CHEMBL49429,Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1,73070,MOL,0,,
CHEMBL494397,C/N=C(\N)N(C)C(=N)N.Cl,477984,MOL,0,,
CHEMBL494753,C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O,485955,MOL,0,Estrogen,1977.0
CHEMBL495,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O,8130,MOL,0,Vasodilator,1981.0
CHEMBL496,Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl,8167,MOL,0,"Anti-Infective, Topical; Detergent",1949.0
CHEMBL497,Oc1c(I)cc(Cl)c2cccnc12,8193,MOL,0,"Anti-Amebic; Anti-Infective, Topical",1982.0
CHEMBL497939,O=c1cccc2n1C[C@@H]1CNC[C@H]2C1,522894,MOL,0,,
CHEMBL498,CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,8516,MOL,0,Antidiabetic,1958.0
CHEMBL498485,COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc1,510953,MOL,0,,
CHEMBL498847,Cc1ncc([N+](=O)[O-])n1CC(C)O,497784,MOL,0,,2017.0
CHEMBL499,CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1,8531,MOL,0,Anti-Adrenergic (beta-receptor),1978.0
CHEMBL499808,CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O,497229,MOL,0,,2001.0
CHEMBL499915,CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C,454298,MOL,0,Glucocorticoid,
CHEMBL5,CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21,147,MOL,0,Antibacterial,1964.0
CHEMBL50,O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,3666,MOL,0,,
CHEMBL500,CC(C)NCC(O)COc1cccc2[nH]ccc12,8543,MOL,0,Vasodilator,1982.0
CHEMBL500468,CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O,485215,BOTH,0,,
CHEMBL501,CC(N)Cc1ccccc1.O=S(=O)(O)O,8838,MOL,0,Stimulant (central),1960.0
CHEMBL501122,CCO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@H]12)c1nsc(NP(=O)(O)O)n1,497230,MOL,0,,2010.0
CHEMBL501174,CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C,502735,MOL,0,,
CHEMBL501259,CCCCCC/C=C\CCCCCCCCCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)CC(=O)CCCCCCCCCCC)[C@@H](OCCCCCCCCCC)[C@@H]2O)O[C@H](COC)[C@@H](OP(=O)(O)O)[C@@H]1OCC[C@@H](CCCCCCC)OC,514906,MOL,0,,
CHEMBL501613,C#CC(C)(O)CC,453505,MOL,0,,
CHEMBL501849,COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C,451744,MOL,0,,2013.0
CHEMBL501867,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.O=S(=O)(O)O,490427,MOL,0,Antineoplastic,1963.0
CHEMBL502,COc1cc2c(cc1OC)C(=O)C(CC1CCN(Cc3ccccc3)CC1)C2,9372,MOL,0,Dementia Symptoms Treatment Adjunct; Inhibitor (acetylcholinesterase); Cognition Adjuvant; Alzheimer's Disease Treatment (adjunct),1996.0
CHEMBL502097,COCCO[C@H]1[C@@H](O)[C@H](COP(=O)([O-])S[C@H]2[C@H](COP(=O)([O-])S[C@H]3[C@H](COP(=O)([O-])S[C@H]4[C@H](COP(=O)([O-])S[C@H]5[C@@H](OCCOC)[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]5COP(=O)([O-])S[C@H]5C[C@H](n6cnc7c(N)ncnc76)O[C@@H]5COP(=O)([O-])S[C@H]5[C@@H](OCCOC)[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)([O-])S[C@H]5[C@@H](OCCOC)[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]5COP(=O)([O-])S[C@H]5[C@@H](OCCOC)[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)([O-])S[C@H]5[C@@H](OCCOC)[C@H](n6cc(C)c(N)nc6=O)O[C@@H]5COP(=O)([O-])S[C@H]5[C@@H](OCCOC)[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]5CO)O[C@H](n5cc(C)c(N)nc5=O)[C@H]4OCCOC)O[C@H](n4cnc5c(N)ncnc54)[C@H]3OCCOC)O[C@H](n3cc(C)c(N)nc3=O)[C@H]2OCCOC)O[C@@H]1n1cc(C)c(N)nc1=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],456123,MOL,1,,2013.0
CHEMBL502109,CCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-],445858,MOL,0,Pharmaceutic Aid (preservative),
CHEMBL502135,OC1OC[C@@H](O)[C@H](O)[C@H]1O,513206,MOL,0,Diagnostic Aid (intestinal function determination),
CHEMBL502182,COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)[O-])c3ccccc3)c2=O)c1F.[Na+],515206,MOL,1,,2018.0
CHEMBL502630,CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C,469750,BOTH,0,,
CHEMBL502835,COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1,522730,MOL,1,,2014.0
CHEMBL503,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21,9495,MOL,1,Inhibitor (HMG-CoA reductase); Antihyperlipidemic,1987.0
CHEMBL503160,O=C(O)/C=C/C(=O)O,516838,MOL,0,Acidifier,
CHEMBL503481,CCCCCCCCCCCCCCSCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CSCCCCCCCCCCCCCC,456305,MOL,0,,
CHEMBL504,C[S+](C)[O-],10009,MOL,0,Anti-Inflammatory (topical),1978.0
CHEMBL504760,CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2,445067,MOL,0,Antipruritic,
CHEMBL505,CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1,10358,MOL,0,Antihistaminic,1950.0
CHEMBL506,COc1cc(NC(C)CCCN)c2ncccc2c1,10389,MOL,0,Antimalarial,1952.0
CHEMBL506110,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OCOC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C,451591,MOL,0,Antibacterial,
CHEMBL506247,O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1,464846,MOL,0,Astringent,
CHEMBL506569,CC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,465355,MOL,0,,
CHEMBL506871,C[C@]1(c2nc3cccc(C(N)=O)c3[nH]2)CCCN1,494280,MOL,0,,
CHEMBL506981,COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccnc2cc(Cl)ccc12,457258,MOL,0,,
CHEMBL507048,CCC(C)CCCCC(=O)NCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)NC1=O,507880,MOL,0,,
CHEMBL507282,Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)O2)c(=O)n1,507618,MOL,0,,
CHEMBL507674,CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O,508755,MOL,0,Antibacterial,1982.0
CHEMBL507870,CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]5C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c5cc(O)c(CNCP(=O)(O)O)c(O)c5-c5cc3ccc5O)[C@H](O)c3ccc(c(Cl)c3)O4)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@@H](C)[C@H]1O,497165,MOL,0,,2009.0
CHEMBL507974,NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO,449338,MOL,0,,
CHEMBL508102,CCOC(=O)n1ccn(C)c1=S,517099,MOL,0,,
CHEMBL508338,,445859,NONE,0,,
CHEMBL50882,Nc1n[n+]([O-])c2ccccc2[n+]1[O-],78108,MOL,0,Antineoplastic,
CHEMBL509,Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl,10531,MOL,0,Anti-Inflammatory,1980.0
CHEMBL509924,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO,454305,MOL,0,Glucocorticoid,
CHEMBL51,O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1,3683,MOL,0,Serotonin Antagonist,
CHEMBL51085,O=c1c2ccccc2[se]n1-c1ccccc1,75507,MOL,0,,
CHEMBL511,COc1ccc(CN(CCN(C)C)c2ccccn2)cc1,10661,MOL,0,Antihistaminic,1973.0
CHEMBL511099,Cc1ccc(C23CNCC2C3)cc1,449425,MOL,0,Analgesic,
CHEMBL511115,COc1ccc([C@]2(C#N)CC[C@@H](C(=O)O)CC2)cc1OC1CCCC1,451253,MOL,0,,
CHEMBL511142,CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,446784,MOL,0,Analgesic,1981.0
CHEMBL512351,COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1,459679,MOL,0,,2017.0
CHEMBL513,O=NN(CCCl)C(=O)NCCCl,10840,MOL,0,Antineoplastic,1977.0
CHEMBL514,O=NN(CCCl)C(=O)NC1CCCCC1,10898,MOL,0,Antineoplastic,1976.0
CHEMBL514446,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C,515105,MOL,0,Choleretic,
CHEMBL514800,CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC,458773,MOL,1,,2014.0
CHEMBL51483,Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,78169,MOL,0,,
CHEMBL515,O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1,11002,MOL,0,Antineoplastic,1957.0
CHEMBL515387,O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1)N1CCC(F)(F)C1,460014,MOL,0,,
CHEMBL515408,CC(C)Nc1nc2cc(Cl)c(Cl)cc2n1[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O,519284,MOL,0,,
CHEMBL515606,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O,453655,MOL,0,Antihypertensive,
CHEMBL515914,CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O,453649,MOL,0,Antipsoriatic,
CHEMBL516,CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1,11005,MOL,0,Antihistaminic; Antipruritic,1961.0
CHEMBL516476,C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2.O=[N+]([O-])[O-],453513,MOL,0,Anticholinergic,
CHEMBL517,CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C,11143,MOL,0,Cardiac Depressant (anti-arrhythmic),1977.0
CHEMBL517199,Cc1cccc(C)c1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O,452689,MOL,0,Antihypertensive; Diuretic,
CHEMBL517427,COC(=O)C1=C(C#N)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1,518263,MOL,0,Antagonist (calcium channel),
CHEMBL517712,CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2,445395,MOL,0,"Anticholinergic,Anticholinergic (ophthalmic)",1960.0
CHEMBL518520,Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c([O-])c(=O)n2C)o1.[K+],470800,MOL,1,,2007.0
CHEMBL518924,NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21,508408,MOL,0,,
CHEMBL519504,CO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O,520672,MOL,0,,
CHEMBL520642,Nc1nc(/C(=N/O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(/C=C4\CCN([C@@H]5CCNC5)C4=O)CS[C@H]23)ns1,508138,MOL,0,,
CHEMBL520733,CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc21,447948,MOL,0,,
CHEMBL521,CC(C)Cc1ccc(C(C)C(=O)O)cc1,11674,MOL,0,Anti-Inflammatory,1974.0
CHEMBL521078,CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@H]1[C@@H]2N1C,453833,MOL,0,Antineoplastic; Antibacterial,
CHEMBL521589,CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(O)CNC(C)(C)C)c1,453827,MOL,0,,
CHEMBL521686,O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1,469866,MOL,1,,2014.0
CHEMBL522038,CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCc1ccc(/C(N)=N\O)cc1)C1CCCCC1,478003,MOL,0,,
CHEMBL522892,CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,494834,MOL,0,,
CHEMBL523299,OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2.[Br-],499120,MOL,0,,2013.0
CHEMBL52333,CCCn1c(=O)c2nc(C34CC5CC(CC3C5)C4)[nH]c2n(CCC)c1=O,76666,MOL,0,,
CHEMBL524,COc1ccc(OC)c(C(O)C(C)N)c1,11775,MOL,0,,1982.0
CHEMBL524004,C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1,469580,MOL,0,Anticholinergic,1956.0
CHEMBL52440,COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3,77456,MOL,0,Antitussive,1982.0
CHEMBL525028,CC[C@@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(C)C)[C@@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O,467332,BOTH,0,,
CHEMBL525076,CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O,508828,BOTH,1,,2003.0
CHEMBL525610,CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C,500007,BOTH,0,Bone Resorption Inhibitor; Osteoporosis Therapy Adjunct,2002.0
CHEMBL526,CC(C)c1cccc(C(C)C)c1O,11819,MOL,0,Anesthetic (intravenous),1989.0
CHEMBL527,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,11968,MOL,0,"Anti-Inflammatory,Anti-Inflammatory; Analgesic",1982.0
CHEMBL528,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1,12105,MOL,0,Antibacterial,1983.0
CHEMBL529,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O,12428,MOL,0,Antibacterial,1991.0
CHEMBL52939,COc1cccc(CCc2ccccc2OCC(CN(C)C)OC(=O)CCC(=O)O)c1,80532,MOL,0,,
CHEMBL529437,COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C.Cl,447955,MOL,0,Anesthetic (topical),2017.0
CHEMBL529888,Cc1ccc(S(=O)(=O)NC(=O)N[C@H]2[C@H]3CC[C@@](C)([C@H]2O)C3(C)C)cc1,452837,MOL,0,Antidiabetic,
CHEMBL53,CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,3854,MOL,0,Emetic,2004.0
CHEMBL530,CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O,12465,MOL,0,Antibacterial,1984.0
CHEMBL531,CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,12494,MOL,0,Dopamine Agonist,1988.0
CHEMBL532,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,12506,MOL,0,Antibacterial,1964.0
CHEMBL53292,Cc1cc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)no1,78364,MOL,0,Anti-Inflammatory,
CHEMBL533,CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)cc1,12608,MOL,0,Cardiac Depressant (anti-arrhythmic),1995.0
CHEMBL53366,Cc1nccn1CCC(C(N)=O)(c1ccccc1)c1ccccc1,80299,MOL,0,,
CHEMBL534,CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1,12957,MOL,0,Anti-Asthmatic,1999.0
CHEMBL53418,O=C1c2cccc(O)c2C(=O)c2c(O)cccc21,82895,MOL,0,,
CHEMBL53463,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1,78759,MOL,0,Antineoplastic,1974.0
CHEMBL535,CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C,13048,MOL,0,,2006.0
CHEMBL535396,CC(N)C12CC3CC(CC(C3)C1)C2.Cl,549674,MOL,0,Antiviral,1993.0
CHEMBL535650,Cl.OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCCN1,543171,MOL,0,Antimalarial,1989.0
CHEMBL537,Oc1ccc(O)cc1,13329,MOL,0,Depigmentor,2002.0
CHEMBL537669,COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21.Cl,549934,MOL,0,,
CHEMBL538867,CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@H](NS(C)(=O)=O)CC[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,554350,MOL,0,,
CHEMBL538943,CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2.O=C(O)C(O)C(O)C(=O)O.O=C(O)C(O)C(O)C(=O)O,564219,MOL,0,Antineoplastic,1994.0
CHEMBL539,CC(=O)O,13342,MOL,0,Pharmaceutic Aid (acidifying agent),
CHEMBL53904,OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1,80351,MOL,0,Antipsychotic,
CHEMBL539423,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c(COCC)c1,298316,MOL,0,,
CHEMBL539697,CCCCCCOC(=O)/N=C(\N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1,561520,MOL,0,,2010.0
CHEMBL539770,CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C.Cl,551160,MOL,0,Vasodilator (coronary),1986.0
CHEMBL54,O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,3859,MOL,0,Antidyskinetic (in gilles de la tourette's disease); Antipsychotic,1967.0
CHEMBL541,O=C(O)c1ccccc1,13371,MOL,0,Pharmaceutic Aid (antifungal agent),
CHEMBL54126,CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.[Br-],79557,MOL,0,Cholinergic,
CHEMBL542,Nc1ccc(C(=O)O)cc1,13372,MOL,0,"Analgesic,Ultraviolet Screen",
CHEMBL542541,Cl.NNc1nncc2ccccc12,543263,MOL,0,Antihypertensive,1953.0
CHEMBL54349,CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12,83245,MOL,0,Anti-Anxiety Agent,
CHEMBL544,COc1ccc(O)cc1,13474,MOL,0,,1999.0
CHEMBL544428,CN1CCN2c3ccccc3Cc3ccccc3C2C1.Cl,543384,MOL,0,Antihistaminic; Serotonin Inhibitor,
CHEMBL544665,CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1.Cl,543306,MOL,1,,2010.0
CHEMBL545,CCO,13618,MOL,0,"Pharmaceutic Aid (solvent); Anti-Infective, Topical",
CHEMBL545315,C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1.Cl.Cl,547496,MOL,0,,
CHEMBL545437,CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2.Cl,545114,MOL,0,,
CHEMBL546,C=CCOc1ccccc1OCC(O)CNC(C)C,13756,MOL,0,Vasodilator (coronary),1983.0
CHEMBL54661,OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,80542,MOL,0,,
CHEMBL547,CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1,13928,MOL,0,Keratolytic,1982.0
CHEMBL548,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O,14125,MOL,0,Oxytocic; Prostaglandin,1977.0
CHEMBL549,CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21,14367,MOL,0,,1998.0
CHEMBL549386,CCOP(=O)(OCC)C(C)NC(=O)N(CCCl)N=O,561038,MOL,0,,
CHEMBL54976,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,84633,MOL,0,Amino Acid,
CHEMBL549963,CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2,559957,MOL,0,,
CHEMBL55,N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1,3965,MOL,0,,1984.0
CHEMBL550,CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C,14406,MOL,0,"Antiglaucoma Agent; Cholinergic (ophthalmic),Cholinergic (ophthalmic)",1974.0
CHEMBL550348,O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1,564990,MOL,0,,2005.0
CHEMBL550495,CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1.O.O.O.[Cl-],563451,MOL,0,Antidote (to cyanide poisoning); Antimethemoglobinemic,2016.0
CHEMBL550781,CCCCCN(CCCOC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1,560084,MOL,0,,
CHEMBL551466,O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1.[Br-],562404,MOL,0,,2012.0
CHEMBL551978,CCOc1ccc(/C=C2\NCCc3cc(OCC)c(OCC)cc32)cc1OCC,565387,MOL,0,,
CHEMBL55214,NCCCCCC(O)(P(=O)(O)O)P(=O)(O)O,84059,MOL,0,,
CHEMBL552659,Cl.Cl.Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1,546730,MOL,0,Vasodilator,
CHEMBL553,C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1,14785,MOL,0,,2004.0
CHEMBL553025,CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2,560078,MOL,0,Antineoplastic,1994.0
CHEMBL553204,COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1,567325,MOL,0,,
CHEMBL554,CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1,14805,MOL,0,,2007.0
CHEMBL55400,Nc1ccc2cc3ccc(N)cc3nc2c1,88248,MOL,0,,
CHEMBL556,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN,15938,MOL,0,"Antidote (to iron poisoning); Chelating Agent,Chelating Agent (iron)",1968.0
CHEMBL556262,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C([C@H]3CCCO3)S[C@H]12,566893,MOL,0,,
CHEMBL55643,,87251,NONE,0,,
CHEMBL556578,CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.Cl,550395,MOL,0,,
CHEMBL557555,CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O,563655,MOL,0,Antihyperlipoproteinemic,
CHEMBL558,Cc1cccc(C)c1OCC(C)N,15958,MOL,0,Cardiac Depressant (anti-arrhythmic),1985.0
CHEMBL559,N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O,15990,MOL,0,Antihyperlipidemic,1967.0
CHEMBL559180,CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl,549033,MOL,0,Vasodilator,
CHEMBL559288,N#CC(CCN1CCC(C(N)=O)(N2CCCCC2)CC1)(c1ccccc1)c1ccccc1,567161,MOL,0,,
CHEMBL560592,NCC(=O)N1C[C@H](NC(=O)c2ccccc2)C[C@H]1C(=O)O,558923,MOL,0,,
CHEMBL561,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21,16278,MOL,0,Antibacterial,1992.0
CHEMBL562,COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O,16303,MOL,0,Antifungal,1962.0
CHEMBL562668,CCNC1(C(N)=O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,556582,MOL,0,,
CHEMBL563,CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1,16308,MOL,0,"Anti-Inflammatory; Analgesic,Inhibitor (prostaglandin synthesis)",1986.0
CHEMBL56367,CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1,85553,MOL,0,,
CHEMBL564,CN(C)CCCN1c2ccccc2Sc2ccccc21,16391,MOL,0,Antipsychotic,1956.0
CHEMBL564085,CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](OC(C)=O)[C@@H](C)C(=O)[C@]3(CO3)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@H]2C)O[C@@H](C)[C@@H]1OC(C)=O,559106,MOL,0,Antibacterial,1969.0
CHEMBL565,CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1,16415,MOL,0,Antihyperlipidemic,1967.0
CHEMBL56564,CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)c1c[nH]c3ccccc13)C2,88800,MOL,0,,
CHEMBL566,O=c1cc[nH]c(=O)[nH]1,16417,MOL,0,Antineoplastic (adjunct),
CHEMBL566315,CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]2[C@@H]1O,574221,MOL,1,,2016.0
CHEMBL566534,CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3,573926,MOL,1,,2009.0
CHEMBL566752,CNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])cc2)cc1,574519,MOL,0,,2014.0
CHEMBL567,OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,16505,MOL,0,Antipsychotic,1957.0
CHEMBL567597,C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4,575613,MOL,1,,
CHEMBL568,O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O,16506,MOL,0,Tranquilizer (minor),1965.0
CHEMBL569,CCN(CC)CCOC(=O)c1ccc(N)cc1,16581,MOL,0,Anesthetic (local),1954.0
CHEMBL56900,c1ccc(Cn2c(N3CCNCC3)nc3ccccc32)cc1,88791,MOL,0,,
CHEMBL569713,CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21,579689,MOL,0,,1979.0
CHEMBL57,Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1,4345,MOL,0,Antiviral,1996.0
CHEMBL570,CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21,16584,MOL,0,Antipsychotic,1957.0
CHEMBL571,CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1,16591,MOL,0,Anti-Inflammatory,1986.0
CHEMBL571546,O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1)NCc1ccccc1,579824,MOL,1,,2020.0
CHEMBL572,O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1,16592,MOL,0,Antibacterial (urinary),1953.0
CHEMBL572284,COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO,581382,MOL,0,,
CHEMBL57242,CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2noc(O)n2)cc1,87493,MOL,0,,
CHEMBL572881,CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21,568338,MOL,0,,
CHEMBL573,O=C(O)c1cccnc1,16656,MOL,0,Vitamin (enzyme co-factor); Antihyperlipidemic,
CHEMBL574,Cc1ccc(S(N)(=O)=O)cc1,16688,MOL,0,,
CHEMBL575,COc1cccc(OC)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12,16716,MOL,0,Antibacterial,1982.0
CHEMBL575060,N[C@@H](CCC(=O)O)C(=O)O,573408,MOL,0,,
CHEMBL576,O=C(O)CCC(=O)O,16740,MOL,0,,
CHEMBL576982,CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1,573133,MOL,0,,
CHEMBL577,C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O,16759,MOL,0,Antihypertensive,
CHEMBL577736,CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O,577826,MOL,0,Antibacterial,
CHEMBL578,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O,16847,MOL,0,Antihypertensive,1985.0
CHEMBL579205,CNc1ccc(-c2nc3ccc(O)cc3s2)cc1F,577065,MOL,0,,2013.0
CHEMBL58,O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21,4504,MOL,0,Antineoplastic,1987.0
CHEMBL580,O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O,16959,MOL,0,Tranquilizer (minor),1977.0
CHEMBL582,CC(C)O,17025,MOL,0,"Anti-Infective, Topical; Pharmaceutic Aid (solvent)",2000.0
CHEMBL583,Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1,17136,MOL,0,Antibacterial,1997.0
CHEMBL58323,COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1,88739,MOL,0,,2008.0
CHEMBL584,Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C,17224,MOL,0,Antiviral,1997.0
CHEMBL585,Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1,17411,MOL,0,Diuretic,1964.0
CHEMBL58510,CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O.O=P(O)(O)O,90635,MOL,0,,1949.0
CHEMBL588,Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1,19278,MOL,0,Dopamine Agonist; Antihypertensive,1997.0
CHEMBL588046,C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.Cl,531397,MOL,0,,
CHEMBL589,CCCN(CCC)CCc1cccc2c1CC(=O)N2,19316,MOL,0,Antiparkinsonian (D2 receptor agonist),1997.0
CHEMBL589390,Cc1ccc2c(c1)c1c(n2CCc2ccc(C)nc2)CCN(C)C1,590783,MOL,0,,
CHEMBL589583,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(=O)O)C1Cc2ccccc2C1,598323,MOL,0,Enzyme Inhibitor (angiotensin-converting); Antihypertensive,
CHEMBL589586,COC(=O)/C=C/C(=O)O,598560,MOL,0,,2020.0
CHEMBL59,NCCc1ccc(O)c(O)c1,4584,MOL,0,Adrenergic,1974.0
CHEMBL590,CC1=CC(=O)c2ccccc2C1=O,19344,MOL,0,Vitamin (prothrombogenic),
CHEMBL590540,N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O,597971,MOL,0,Amino Acid,
CHEMBL590799,CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1,598444,MOL,0,,
CHEMBL591,C#CC(O)(/C=C/Cl)CC,19469,MOL,0,Sedative-Hypnotic,1961.0
CHEMBL591665,O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O.[Na+],597282,MOL,0,Vitamin (antiscorbutic),2006.0
CHEMBL592,CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13,19572,MOL,0,Analgesic (narcotic),1991.0
CHEMBL592054,Cc1oc(-c2ccccc2)nc1COc1ccc(CO/N=C(\CCC(=O)O)c2ccccc2)cc1,598833,MOL,0,,
CHEMBL592868,CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,600686,MOL,0,,
CHEMBL592943,CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2,594487,MOL,0,,
CHEMBL593,CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1,19573,MOL,0,Antiviral,1997.0
CHEMBL594,CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21,19712,MOL,0,"Anti-Allergic; Antihistaminic, H1-Receptor; Asthma Prophylactic",1997.0
CHEMBL595,CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1,19737,MOL,0,Antidiabetic,1999.0
CHEMBL595573,O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21,593301,MOL,0,,
CHEMBL596,CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1,19915,MOL,0,Analgesic (narcotic),1968.0
CHEMBL596186,Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]2O)c(=O)n1,594200,MOL,0,,
CHEMBL596802,CCCN1CCC(c2cccc(S(C)(=O)=O)c2)CC1,596524,MOL,0,,
CHEMBL597,Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1,20131,MOL,0,Anti-Adrenergic,1952.0
CHEMBL599,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1,20496,MOL,0,Anti-Inflammatory (nonsteroidal),2000.0
CHEMBL599552,O=C1/C(=C2\Nc3ccccc3C2=O)Nc2ccccc21,601890,MOL,0,,
CHEMBL599872,C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)NS(=O)(=O)C1CC1,597302,MOL,0,,
CHEMBL6,COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1,173,MOL,0,Anti-Inflammatory,1965.0
CHEMBL600,CC(=O)N[C@@H](CS)C(=O)O,20881,MOL,0,Mucolytic,1963.0
CHEMBL600325,C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[C@H]1O,421211,MOL,0,Cardiotonic,
CHEMBL601,NCC(=O)CCC(=O)O,20917,MOL,0,Antineoplastic,
CHEMBL601719,C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,602271,MOL,1,,2011.0
CHEMBL602,NCCS,21036,MOL,0,Anti-Urolithic (cystine calculi),1994.0
CHEMBL603,COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12,21523,MOL,0,Anti-Asthmatic (leukotriene antagonist),1996.0
CHEMBL603469,C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O,597145,MOL,0,,
CHEMBL604,,21741,NONE,0,Antidote (to phosphorus),1987.0
CHEMBL604608,OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O,604844,MOL,0,Nutrient,
CHEMBL605,CCN(CC)CCNC(=O)c1ccc(N)cc1.Cl,21845,MOL,0,Cardiac Depressant (anti-arrhythmic),1950.0
CHEMBL605846,COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1,603199,MOL,0,,2014.0
CHEMBL606,CCCCC(C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC,22391,MOL,0,Anti-Ulcerative,1988.0
CHEMBL606260,CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)[O-])c3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[Na+].[Na+],604643,MOL,0,Antibacterial,1982.0
CHEMBL607,CCOC(=O)C1(c2ccccc2)CCN(C)CC1,22528,MOL,0,Analgesic (narcotic),1942.0
CHEMBL607400,CCC[C@@H]1CC(=O)N([C@@H](CC)C(N)=O)C1,609761,MOL,0,,2016.0
CHEMBL607710,NC(=O)OCC(O)COc1ccc(Cl)cc1,604618,MOL,0,Relaxant (skeletal muscle),1965.0
CHEMBL608,CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,22641,MOL,0,Antihyperlipidemic,1977.0
CHEMBL608533,CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,608601,MOL,1,,2017.0
CHEMBL60889,CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1,93995,MOL,0,,
CHEMBL609,NCCNCCNCCN,22956,MOL,0,Chelating Agent,1985.0
CHEMBL61,COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC,4775,MOL,0,Antimitotic,1990.0
CHEMBL61006,CC(N)C(O)c1ccccc1,94091,MOL,0,Adrenergic (vasoconstrictor),1958.0
CHEMBL611,COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC,23093,MOL,0,Antihypertensive,1987.0
CHEMBL612,C[C@H](N)Cc1ccccc1,23199,MOL,0,Stimulant (central),1955.0
CHEMBL614,NC(=O)c1cnccn1,23522,MOL,0,Antibacterial (tuberculostatic),1971.0
CHEMBL615,CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O,24806,MOL,0,Antibacterial,1958.0
CHEMBL61593,NS(=O)(=O)c1cc2c(cc1Cl)NC(C1CC3C=CC1C3)NS2(=O)=O,92458,MOL,0,Antihypertensive; Diuretic,1982.0
CHEMBL617,CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1,24991,MOL,0,Antibacterial,1974.0
CHEMBL61780,COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccnc(-c3nn[nH]n3)c2)nc1OCCO,94071,MOL,0,,
CHEMBL620,C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2,26351,MOL,0,Anticholinergic,1982.0
CHEMBL621,O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12,26401,MOL,0,Antidepressant,1981.0
CHEMBL62193,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1,93930,MOL,0,,
CHEMBL622,CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3,26431,MOL,0,Anti-Inflammatory,1991.0
CHEMBL623,CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1,26465,MOL,0,Antidepressant,1994.0
CHEMBL625,c1ccc2[nH]c(-c3cscn3)nc2c1,26590,MOL,0,Anthelmintic,1967.0
CHEMBL626,CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12,26722,MOL,0,Antifungal,1988.0
CHEMBL627,C[N+](C)([O-])CCC=C1c2ccccc2CCc2ccccc21,26821,MOL,0,,
CHEMBL628,CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O,27029,MOL,0,Vasodilator,1984.0
CHEMBL629,CN(C)CCC=C1c2ccccc2CCc2ccccc21,27072,MOL,0,Antidepressant,1961.0
CHEMBL631,CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1,27112,MOL,0,Cardiac Depressant (anti-arrhythmic),1989.0
CHEMBL632,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,27152,MOL,0,Glucocorticoid,1961.0
CHEMBL633,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,27185,MOL,0,,1985.0
CHEMBL634,CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1,27190,MOL,0,Analgesic (narcotic),1986.0
CHEMBL635,C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO,27229,MOL,0,Glucocorticoid,1955.0
CHEMBL636,CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1,27251,MOL,0,,2000.0
CHEMBL637,COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1,27278,MOL,0,Antidepressant,1993.0
CHEMBL638,C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F,27308,MOL,0,,2002.0
CHEMBL63857,O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21,104250,MOL,0,Laxative,
CHEMBL639,CN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1,27309,MOL,0,Anti-Asthmatic; Anti-Allergic,1996.0
CHEMBL64,NNC(=O)c1ccncc1,4941,MOL,0,Antibacterial (tuberculostatic),1952.0
CHEMBL640,CCN(CC)CCNC(=O)c1ccc(N)cc1,27341,MOL,0,Cardiac Depressant (anti-arrhythmic),1950.0
CHEMBL641,CNCC[C@@H](Oc1ccccc1C)c1ccccc1,27342,MOL,0,,2002.0
CHEMBL64130,CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O,96210,MOL,0,,
CHEMBL64195,O=C(CCCl)NCc1ccccc1,99581,MOL,0,,
CHEMBL642,CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1,27347,MOL,0,Anti-Adrenergic (beta-receptor),1984.0
CHEMBL643,CC(CN1c2ccccc2Sc2ccccc21)N(C)C,27368,MOL,0,Antihistaminic; Anti-Emetic,1951.0
CHEMBL6437,CN1CCN2c3ccccc3Cc3ccccc3C2C1,573,MOL,0,Antihistaminic; Serotonin Inhibitor,
CHEMBL64391,CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O,97867,MOL,0,,1992.0
CHEMBL644,CC(CN(C)C)CN1c2ccccc2CCc2ccccc21,27385,MOL,0,Antidepressant,1979.0
CHEMBL645,CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1,27417,MOL,0,Antihypertensive (beta-blocker),1992.0
CHEMBL646,Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2,27419,MOL,0,Sedative-Hypnotic,1978.0
CHEMBL6466,O=c1ccc2ccccc2o1,1256,MOL,0,,
CHEMBL647,Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1,27495,MOL,0,Adrenergic (alpha12-agonist),1987.0
CHEMBL648,CN1CCN(C(c2ccccc2)c2ccccc2)CC1,27546,MOL,0,"Anti-Emetic,Antihistaminic,Antinauseant",1982.0
CHEMBL64894,CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-],98346,MOL,0,"Anti-Infective, Topical",1982.0
CHEMBL649,CC(C)(C)NCC(O)COc1cccc2c1C[C@H](O)[C@H](O)C2,27570,MOL,0,Anti-Adrenergic (beta-receptor),1979.0
CHEMBL650,C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12,27575,MOL,0,Glucocorticoid,1957.0
CHEMBL651,CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1,27576,MOL,0,Analgesic (narcotic),1947.0
CHEMBL652,O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F,27588,MOL,0,Cardiac Depressant (anti-arrhythmic),1985.0
CHEMBL65375,Cl.N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl,102584,MOL,0,,2015.0
CHEMBL654,CN1CCN2c3ncccc3Cc3ccccc3C2C1,27610,MOL,0,Antidepressant,1996.0
CHEMBL655,Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2,27611,MOL,0,"Anesthetic (injectable),Anesthetic (intravenous)",1985.0
CHEMBL65567,CN1CC(=O)N=C1N,101329,MOL,0,Bulking Agent for Freeze Drying,
CHEMBL656,COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314,27624,MOL,0,Analgesic (narcotic),1950.0
CHEMBL657,CN(C)CCOC(c1ccccc1)c1ccccc1,27629,MOL,0,Antihistaminic,1946.0
CHEMBL65794,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[n+]3cccc4c3CCC4)CS[C@H]12)c1csc(N)n1,104846,MOL,0,Antibacterial,
CHEMBL658,CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1,27638,MOL,0,"Analgesic,Analgesic (narcotic)",1984.0
CHEMBL659,COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2,27639,MOL,0,,2001.0
CHEMBL660,NC12CC3CC(CC(C3)C1)C2,27647,MOL,0,Antiviral,1968.0
CHEMBL66092,CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1,102755,MOL,0,,
CHEMBL661,Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2,27648,MOL,0,Sedative-Hypnotic,1981.0
CHEMBL6622,O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-],556,MOL,0,Vasodilator (coronary),1986.0
CHEMBL666,O=C(O)P(=O)(O)O,27780,MOL,0,Antiviral,1991.0
CHEMBL667,CC(=O)OCC[N+](C)(C)C,27812,MOL,0,Vasodilator (peripheral); Cardiac Depressant; Miotic; Cholinergic,1973.0
CHEMBL668,CNCCCC1c2ccccc2C=Cc2ccccc21,28112,MOL,0,Antidepressant,1967.0
CHEMBL669,CN(C)CCC=C1c2ccccc2C=Cc2ccccc21,28119,MOL,0,Relaxant (muscle),1977.0
CHEMBL671,S=P(N1CC1)(N1CC1)N1CC1,28310,MOL,0,Antineoplastic,1959.0
CHEMBL672,CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1,28331,MOL,0,,1993.0
CHEMBL67279,CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O,103029,MOL,0,,
CHEMBL673,C#CCN(C)Cc1ccccc1,28477,MOL,0,Antihypertensive,1982.0
CHEMBL675,NCCCC(O)(P(=O)([O-])O)P(=O)(O)O.[Na+],28699,MOL,0,Bone Resorption Inhibitor,1995.0
CHEMBL677,C[C@H](N)[C@H](O)c1ccc(O)c(O)c1,28939,MOL,0,Adrenergic (vasoconstrictor),1960.0
CHEMBL679,CNC[C@H](O)c1ccc(O)c(O)c1,28976,MOL,0,"Adrenergic (ophthalmic),Adrenergic (vasoconstrictor)",1976.0
CHEMBL680,N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1,29005,MOL,0,Antibacterial,1979.0
CHEMBL68055,CC1=C(c2ccc(O)cc2)[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21,103971,MOL,0,,
CHEMBL681,CCOC(=O)c1cncn1[C@H](C)c1ccccc1,29090,MOL,0,Sedative-Hypnotic,1982.0
CHEMBL68117,CN[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@@H]1OC,103395,MOL,0,,
CHEMBL682,CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O,29097,MOL,0,"Antimalarial,Antiprotozoal",1982.0
CHEMBL684,CCN(CC)C(=O)N1CCN(C)CC1,29569,MOL,0,Anthelmintic,1950.0
CHEMBL685,COC(=O)Nc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1,29637,MOL,0,Anthelmintic,1974.0
CHEMBL686,Cc1cccc(Nc2ccccc2C(=O)O)c1C,29989,MOL,0,Anti-Inflammatory; Analgesic,1967.0
CHEMBL688,CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O,30072,MOL,0,Analgesic (narcotic),1968.0
CHEMBL689,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,30180,MOL,0,Diagnostic Aid (renal function determination); Diuretic,
CHEMBL690,CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21.[Na+],30602,MOL,0,Antihyperlipidemic,1991.0
CHEMBL691,C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C,31241,MOL,0,Estrogen,2001.0
CHEMBL692,OCC(O)CO,31422,MOL,0,Pharmaceutic Aid (solvent); Pharmaceutic Aid (humectant),1982.0
CHEMBL69308,CC(C(=O)O)c1ccc(/C=C2\CCCCC2=O)cc1,107098,MOL,0,,
CHEMBL695,CN1C(=O)OC(C)(C)C1=O,31804,MOL,0,Anticonvulsant,1946.0
CHEMBL696,CCC1(C)CC(=O)NC1=O,31811,MOL,0,Anticonvulsant,1960.0
CHEMBL6966,COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC,1219,MOL,0,"Anti-Anginal; Cardiac Depressant (anti-arrhythmic),Vasodilator (coronary)",1981.0
CHEMBL697,CN1C(=O)CC(C)(c2ccccc2)C1=O,31857,MOL,0,Anticonvulsant,1957.0
CHEMBL698,CCCCNc1ccc(C(=O)OCCN(C)C)cc1,32027,MOL,1,"Anesthetic (local),Anesthetic (topical)",2005.0
CHEMBL6995,CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1,1380,MOL,0,Anti-Adrenergic (beta-receptor),
CHEMBL70,CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5,6005,MOL,0,Analgesic (narcotic),1984.0
CHEMBL700,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,32842,MOL,0,Suppressant (dermatitis herpetiformis),1939.0
CHEMBL70046,O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1/C=C/Br,110103,MOL,0,Antiviral,
CHEMBL701,NCC(CC(=O)O)c1ccc(Cl)cc1,32869,MOL,0,Relaxant (muscle),1977.0
CHEMBL702,CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@H]23)c2ccccc2)C(=O)C1=O,33055,MOL,0,Antibacterial,1981.0
CHEMBL70246,Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O,106280,MOL,0,,
CHEMBL703,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C,33060,MOL,0,Neuromuscular Blocking Agent,1952.0
CHEMBL704,Nc1ccc(O)c(C(=O)O)c1,33202,MOL,0,Anti-Inflammatory,1987.0
CHEMBL70418,CN1C(=O)CC(=O)N(c2ccccc2)c2cc(Cl)ccc21,111390,MOL,0,Tranquilizer (minor),2005.0
CHEMBL705,CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)O)C(C)(C)CCC1,33216,MOL,0,,1999.0
CHEMBL706,CCCCCCCCCCCCCCCCO,33254,MOL,0,Pharmaceutic Aid (emulsifying and stiffening agent),1990.0
CHEMBL70663,Cc1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1,114423,MOL,0,,
CHEMBL707,COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC,33373,MOL,0,Antihypertensive,1990.0
CHEMBL708,O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1,33664,MOL,0,Antipsychotic,2001.0
CHEMBL709,COc1cc2nc(N(C)CCCNC(=O)C3CCCO3)nc(N)c2cc1OC,33667,MOL,0,Antihypertensive (alpha-blocker),2003.0
CHEMBL70927,Cc1c(O)c(=O)ccn1C,112090,MOL,0,,1999.0
CHEMBL71,CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21,6216,MOL,0,Antipsychotic; Anti-Emetic,1957.0
CHEMBL710,CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,33679,MOL,0,Inhibitor (alpha reductase),1992.0
CHEMBL711,O=C1c2ccccc2C(=O)C1c1ccccc1,33727,MOL,0,,1982.0
CHEMBL712,COc1ccc(C2C(=O)c3ccccc3C2=O)cc1,33809,MOL,0,,1957.0
CHEMBL71263,Cc1ccc2c(=O)c3cccc(CC(=O)O)c3oc2c1C,112046,MOL,0,,
CHEMBL713,C=C1[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@H](O)[C@H]1CO,33889,MOL,0,,2005.0
CHEMBL714,CC(C)(C)NCC(O)c1ccc(O)c(CO)c1,34094,MOL,0,Bronchodilator,1981.0
CHEMBL715,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,34197,MOL,0,Antipsychotic,1996.0
CHEMBL71595,OO,195106,MOL,0,"Anti-Infective, Topical",2017.0
CHEMBL716,OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1,34234,MOL,0,Antipsychotic,1997.0
CHEMBL717,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,34608,MOL,0,Progestin,1959.0
CHEMBL71752,CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32,110947,MOL,0,,
CHEMBL719,C/C(=C\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O,35271,MOL,0,Antibacterial (topical),1987.0
CHEMBL72,CNCCCN1c2ccccc2CCc2ccccc21,6243,MOL,0,Antidepressant,1964.0
CHEMBL720,OCc1ccccc1,35486,MOL,0,Pharmaceutic Aid (antimicrobial agent),2009.0
CHEMBL723,COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12,36662,MOL,0,Antihypertensive; Anti-Anginal,1995.0
CHEMBL726,OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,36842,MOL,0,Antipsychotic,
CHEMBL727,Nc1nc2[nH]cnc2c(=S)[nH]1,36864,MOL,0,Antineoplastic,1966.0
CHEMBL728,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1,37266,MOL,0,"Anti-Emetic,Anti-Emetic; Antipsychotic,Antipsychotic; Anti-Emetic",1956.0
CHEMBL729,Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O,37316,MOL,0,,2000.0
CHEMBL730,O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-],37493,MOL,0,Vasodilator (coronary),1981.0
CHEMBL7301,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1,853,MOL,0,Antineoplastic,
CHEMBL73234,CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1,117805,MOL,0,,
CHEMBL734,CC(=O)NO,37820,MOL,0,Enzyme Inhibitor (urease),1983.0
CHEMBL73451,c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2,112175,MOL,0,,
CHEMBL738,CCCC(C)C1(CC)C(=O)N=C([S-])NC1=O.[Na+],38569,MOL,0,Anesthetic (intravenous); Anticonvulsant,1982.0
CHEMBL73822,Cn1c(/C=C/CO)c(CO)c2c1C(=O)C=C(N1CC1)C2=O,121457,MOL,0,,
CHEMBL74,O=C([O-])c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)[O-])cc(=O)c34)cccc2o1.[Na+].[Na+],6480,MOL,0,Anti-Asthmatic (prophylactic),1982.0
CHEMBL741,Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1,38727,MOL,0,Anticonvulsant,1994.0
CHEMBL7413,C=CCC1(C(C)C#CCC)C(=O)NC(=O)N(C)C1=O,2216,MOL,0,Anesthetic (intravenous),1960.0
CHEMBL742,CNC1(c2ccccc2Cl)CCCCC1=O,38833,MOL,0,Anesthetic,1970.0
CHEMBL74355,COc1cccc([C@H](O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC,120674,MOL,0,,
CHEMBL744,Nc1nc2ccc(OC(F)(F)F)cc2s1,38898,MOL,0,Amyotrophic Lateral Sclerosis Treatment,1995.0
CHEMBL74415,CCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2,119942,MOL,0,,
CHEMBL746,CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12,39540,MOL,0,Anti-Allergic (prophylactic),1992.0
CHEMBL74632,CO[C@@]1(NC(=O)C(C(=O)O)c2ccc(O)cc2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CO[C@@H]21,114506,MOL,0,Anti-Infective,1982.0
CHEMBL748,C[n+]1ccccc1/C=N/O.[Cl-],39624,MOL,0,Cholinesterase Reactivator,1964.0
CHEMBL750,N=S(=O)(O)Cc1noc2ccccc12,39857,MOL,0,Anticonvulsant,2000.0
CHEMBL75094,CC1(C)SCCN(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)[C@H]1C(=O)NO,120195,MOL,0,,
CHEMBL751,Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(Br)cc1.[Na+],40536,MOL,0,Analgesic,1997.0
CHEMBL75124,CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1,122567,MOL,0,,
CHEMBL752,Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,40940,MOL,0,Nutrient,
CHEMBL753,CC(COc1ccccc1)N(CCCl)Cc1ccccc1,41434,MOL,0,Antihypertensive,1953.0
CHEMBL754,O=C([O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+],41644,MOL,0,Antiviral,1991.0
CHEMBL75435,C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1,117758,MOL,0,,
CHEMBL757,C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O,42013,MOL,0,,
CHEMBL75753,O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1,122859,MOL,0,Stimulant (cardiac),
CHEMBL75880,C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1,119288,MOL,0,Vasodilator (coronary),1974.0
CHEMBL76,CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12,6579,MOL,0,"Anti-Amebic; Antimalarial,Anti-Amebic; Suppressant (lupus erythematosus); Antimalarial",1949.0
CHEMBL760,O=C1CN2Cc3c(ccc(Cl)c3Cl)N=C2N1,42290,MOL,0,Antithrombotic,1997.0
CHEMBL761,c1ccc2c(CC3=NCCN3)cccc2c1,42468,MOL,0,Adrenergic (vasoconstrictor),1971.0
CHEMBL762,Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1,42520,MOL,0,Adrenergic (vasoconstrictor),1986.0
CHEMBL76370,CCCCCNC(=N)N/N=C/c1c[nH]c2ccc(OC)cc12,122247,MOL,0,,2002.0
CHEMBL765,NC(N)=NCCN1CCCCCCC1,43086,MOL,0,Antihypertensive,1960.0
CHEMBL766,CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCSC[C@H](N)C(=O)O)C(=O)O,43261,MOL,0,Enzyme Inhibitor,1985.0
CHEMBL76688,CC(C)(C)C(=O)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(=O)O)cc1,122423,MOL,0,,
CHEMBL768,COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1,43354,MOL,0,Anti-Adrenergic (beta-receptor),1986.0
CHEMBL77,C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1C32OO4,6677,MOL,0,,
CHEMBL770,c1ccc(CC2=NCCN2)cc1,43448,MOL,0,Vasodilator (peripheral),1985.0
CHEMBL771,N[C@@H]1CONC1=O,43740,MOL,0,Antibacterial (tuberculostatic),1964.0
CHEMBL772,COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC,43952,MOL,0,Antihypertensive,1960.0
CHEMBL773,NCC(=O)O,44010,MOL,0,,
CHEMBL77305,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])cccc3nc2-1,124181,MOL,0,,
CHEMBL776,CC(C)NCC(O)c1cc(O)cc(O)c1,44647,MOL,0,Bronchodilator,1973.0
CHEMBL77622,Oc1ccc(CCNCCCCCCNCCc2ccccc2)cc1O,123372,MOL,0,Cardiovascular Agent,
CHEMBL777,O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21,44876,MOL,0,Inhibitor (beta-lactamase),1984.0
CHEMBL778,Cc1cccc([C@H](C)c2c[nH]cn2)c1C,44905,MOL,0,Tranquilizer,1999.0
CHEMBL779,CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O,44920,MOL,0,,2003.0
CHEMBL77921,Cc1cccc(C(C)c2c[nH]cn2)c1C,121477,MOL,0,Sedative (veterinary); Analgesic (veterinary),
CHEMBL780,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O,46073,MOL,0,"Chelating Agent (plutonium),Diagnostic Aid",2004.0
CHEMBL781,OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21,46385,MOL,0,Anorexic,1973.0
CHEMBL782,CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,46726,MOL,0,"Antidiabetic,Diagnostic Aid (diabetes)",1961.0
CHEMBL783,CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1,46727,MOL,0,,2000.0
CHEMBL786,CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1.O=C(O)CC(O)(CC(=O)O)C(=O)O,47340,MOL,0,Anti-Estrogen,1977.0
CHEMBL787,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1,47447,MOL,0,Anti-Asthmatic (leukotriene antagonist),1998.0
CHEMBL788,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I,47675,MOL,0,Antiviral (ophthalmic),1963.0
CHEMBL79,CCN(CC)CC(=O)Nc1c(C)cccc1C,6723,MOL,0,"Anesthetic (local),Anesthetic (topical)",1948.0
CHEMBL790,N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1,48849,MOL,0,"Anti-Infective, Topical,Antibacterial,Antimicrobial",1976.0
CHEMBL796,COC(=O)C(c1ccccc1)C1CCCCN1,49842,MOL,0,Stimulant (central),1955.0
CHEMBL797,CN1C(=O)CC(c2ccccc2)C1=O,49869,MOL,0,Anticonvulsant,1982.0
CHEMBL799,O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1,50440,MOL,0,Inhibitor (platelet); Vasodilator; Antithrombotic,1999.0
CHEMBL8,O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,241,MOL,0,Antibacterial,1987.0
CHEMBL80,C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,6902,MOL,0,Antagonist (to narcotics),1971.0
CHEMBL802,Nc1cc(N2CCCCC2)nc(N)[n+]1[O-],51042,MOL,0,Hair Growth Stimulant (topical); Antihypertensive,1979.0
CHEMBL803,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1,51182,MOL,0,"Antiviral,Antiviral; Antineoplastic",1969.0
CHEMBL806,CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,52087,MOL,0,,1989.0
CHEMBL807,CC12CC3CC(C)(C1)CC(N)(C3)C2,52523,MOL,0,,2003.0
CHEMBL808,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,52874,MOL,0,Antifungal,1982.0
CHEMBL80830,CC(C)(S)C(=O)N[C@@H](CS)C(=O)O,125999,MOL,0,,
CHEMBL8085,NCCCC[C@H](N)C(=O)O,3059,MOL,0,Amino Acid,
CHEMBL809,CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21,53616,MOL,0,Antidepressant,1991.0
CHEMBL81,O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,6914,MOL,0,Anti-Estrogen,1997.0
CHEMBL810,Cn1nnc2c(C(N)=O)ncn2c1=O,53686,MOL,0,,1999.0
CHEMBL811,CN(C)CCC(c1ccc(Br)cc1)c1ccccn1,54051,MOL,0,Antihistaminic,1957.0
CHEMBL812,CN(C)C(=O)Oc1ccc[n+](C)c1.[Br-],54149,MOL,0,Cholinergic,1955.0
CHEMBL813,CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1,54211,MOL,0,Antihypertensive,1997.0
CHEMBL814,COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1,54722,MOL,0,Antiobsessional Agent,1994.0
CHEMBL815,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O,55033,MOL,0,Oxytocic; Prostaglandin,1982.0
CHEMBL816,NCCN,55080,MOL,0,,
CHEMBL817,Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1,56131,MOL,0,Antidiabetic,1966.0
CHEMBL818,N=C(N)NCc1cccc(I)c1,56402,MOL,0,"Diagnostic Aid (radioactive, adrenomedullary disorders and neuroendocrine tumors); Radioactive Agent,Radioactive Agent,Radioactive Agent; Diagnostic Aid",1994.0
CHEMBL819,Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12,56432,MOL,0,Antibacterial,1971.0
CHEMBL820,CS(=O)(=O)OCCCCOS(C)(=O)=O,56644,MOL,0,,1954.0
CHEMBL821,N=C(N)N,56752,MOL,0,,1939.0
CHEMBL822,CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12,56831,MOL,0,Antifungal,1992.0
CHEMBL82202,Cc1ncc(COP(=O)(O)O)c(C=O)c1O,134571,MOL,0,,
CHEMBL82301,COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C,127116,MOL,0,,
CHEMBL826,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21,57175,MOL,0,Antibacterial,1991.0
CHEMBL827,COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1,57397,MOL,0,,2001.0
CHEMBL829,CC(CN(C)C)CN1c2ccccc2Sc2ccccc21,57833,MOL,0,Antipruritic,1982.0
CHEMBL83,CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,6968,MOL,0,Anti-Estrogen,1977.0
CHEMBL830,NCCCC(N)(C(=O)O)C(F)F,58841,MOL,0,Antineoplastic; Antiprotozoal,1990.0
CHEMBL83063,CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1,138594,MOL,0,,1991.0
CHEMBL831,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1,59519,MOL,0,Tranquilizer (minor),1975.0
CHEMBL832,O=C1C(CC[S+]([O-])c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1,60232,MOL,0,Uricosuric,1959.0
CHEMBL833,Clc1ccccc1CN1CCc2sccc2C1,60319,MOL,0,Inhibitor (platelet),1991.0
CHEMBL834,NCCC(O)(P(=O)(O)O)P(=O)(O)O,60401,MOL,0,Bone Resorption Inhibitor,1991.0
CHEMBL836,CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1,61181,MOL,0,Benign Prostatic Hyperplasia Therapy Agent,1997.0
CHEMBL83626,CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)CCC(=O)O)c(C(C)(C)C)c1,137246,MOL,0,,
CHEMBL83668,Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1,134040,MOL,0,Antifungal,
CHEMBL838,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O,61706,MOL,0,Enzyme Inhibitor (angiotensin-converting),1991.0
CHEMBL839,CC(C)(C)NCC(O)COc1cccc2c1CCC(=O)N2,62182,MOL,0,Anti-Adrenergic (beta-receptor),1988.0
CHEMBL84,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1,7501,MOL,0,Antineoplastic (DNA topoisomerase I Inhibitor),1996.0
CHEMBL841,CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1,62259,MOL,0,Antiperistaltic,1976.0
CHEMBL84158,CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC,132933,MOL,0,,
CHEMBL842,NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O,62615,MOL,0,"Antihypertensive; Diuretic,Diuretic",1958.0
CHEMBL843,CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O,62701,MOL,0,Antidiabetic,1999.0
CHEMBL844,Brc1c(NC2=NCCN2)ccc2nccnc12,62817,MOL,0,Adrenergic (ophthalmic),1996.0
CHEMBL846,C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O,63252,MOL,0,Regulator (calcium),1978.0
CHEMBL847,CC(C)NCC1CCc2cc(CO)c([N+](=O)[O-])cc2N1,63445,MOL,0,Antischistosomal,1980.0
CHEMBL848,Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O,63649,MOL,0,,2005.0
CHEMBL849,Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,64200,MOL,0,Disinfectant,1997.0
CHEMBL85,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2,7714,MOL,0,Neuroleptic,1993.0
CHEMBL850,C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1,65351,MOL,0,Antibacterial,1996.0
CHEMBL85164,CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1.CS(=O)(=O)O,135391,MOL,0,,
CHEMBL852,N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O,65415,MOL,0,Antineoplastic,1964.0
CHEMBL853,Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1,65494,MOL,0,Antiviral,1992.0
CHEMBL85398,O=C1CSC(=O)N1,135405,MOL,0,,
CHEMBL855,Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1,65539,MOL,0,Antihistaminic,1983.0
CHEMBL856,CCC1(c2ccccc2)C(=O)NCNC1=O,65728,MOL,0,Anticonvulsant,1954.0
CHEMBL857,O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12,65798,MOL,0,Vitamin,1985.0
CHEMBL858,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O,65917,MOL,0,Pharmaceutic Aid (chelating agent),
CHEMBL859,O=c1[nH]c(=O)c2c[nH]nc2[nH]1,65935,MOL,0,Xanthine Oxidase Inhibitor,
CHEMBL86,CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,7736,MOL,0,Anti-Emetic,1979.0
CHEMBL861,CCC1(c2ccccc2)NC(=O)N(C)C1=O,66016,MOL,0,Anticonvulsant,1946.0
CHEMBL862,N=C(N)NC(=O)Cc1c(Cl)cccc1Cl,66029,MOL,0,Antihypertensive,1986.0
CHEMBL863,N[C@@H](CS)C(=O)O,66213,MOL,0,Amino Acid,1986.0
CHEMBL86304,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1,139099,MOL,0,Antidepressant,
CHEMBL864,CN(C)CCOC(c1ccc(Cl)cc1)c1ccccn1,66273,MOL,0,Antihistaminic,2003.0
CHEMBL865,Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1,67010,MOL,0,,2001.0
CHEMBL866,COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2,68396,MOL,0,Antineoplastic,2004.0
CHEMBL867,CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O,68817,MOL,0,Diagnostic Aid (radiopaque medium),1951.0
CHEMBL86715,OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1,139241,MOL,0,Antiparkinsonian; Relaxant (skeletal muscle),1955.0
CHEMBL86882,CCNCC(O)c1cccc(O)c1,139072,MOL,0,,
CHEMBL869,NC(=O)N/N=C/c1ccc([N+](=O)[O-])o1,70239,MOL,0,"Anti-Infective, Topical",1945.0
CHEMBL870,NCCCC(O)(P(=O)(O)O)P(=O)(O)O,70674,MOL,0,Bone Resorption Inhibitor,1995.0
CHEMBL871,CC(O)(P(=O)(O)O)P(=O)(O)O,70675,MOL,0,"Bone Resorption Inhibitor,Regulator (calcium)",1977.0
CHEMBL87493,CCNC(C)Cc1cccc(C(F)(F)F)c1,139434,MOL,0,Anorexic,2020.0
CHEMBL87563,CCOC(=O)c1ccc(OC(=O)CCCCCN=C(N)N)cc1,138792,MOL,0,,
CHEMBL877,NC[C@H]1CC[C@H](C(=O)O)CC1,73547,MOL,0,Hemostatic,1986.0
CHEMBL87708,CN(CCCN1c2ccccc2CCc2ccccc21)CC(=O)c1ccc(Cl)cc1,139311,MOL,0,Antidepressant,
CHEMBL878,Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC1C,73548,MOL,0,Antihypertensive; Diuretic,1973.0
CHEMBL87992,CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21,139940,MOL,0,,2009.0
CHEMBL88,O=P1(N(CCCl)CCCl)NCCCO1,8417,MOL,0,Immunosuppressant; Antineoplastic,1959.0
CHEMBL880,CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O,74284,MOL,0,Antiviral,1994.0
CHEMBL88055,Oc1ccc(C(O)C2CCCCN2)cc1O,140105,MOL,0,,
CHEMBL885,Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F,74911,MOL,0,,2003.0
CHEMBL887,C#CCN[C@@H]1CCc2ccccc21,75752,MOL,0,Antiparkinsonian,2006.0
CHEMBL88712,O=C(O)[C@@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1,144761,MOL,0,,
CHEMBL888,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1,75901,MOL,0,Antineoplastic,1996.0
CHEMBL889,O=P(O)(NCCCl)NCCCl,76250,MOL,0,,
CHEMBL891,Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12,76766,MOL,0,Antibacterial,1974.0
CHEMBL893,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12,77085,MOL,0,Antibacterial,1968.0
CHEMBL894,CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1,77128,MOL,0,Antidepressant,1985.0
CHEMBL895,Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314,77207,MOL,0,Antagonist (to narcotics); Analgesic,1979.0
CHEMBL89598,C=CC(N)CCC(=O)O,141484,MOL,0,Anticonvulsant (tardive dyskinesia),2009.0
CHEMBL896,OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,77459,MOL,0,Tranquilizer (minor),1956.0
CHEMBL897,CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1,77474,MOL,0,Uricosuric,1951.0
CHEMBL898,O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O,77652,MOL,0,Analgesic; Anti-Inflammatory,1982.0
CHEMBL9,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21,246,MOL,0,Antibacterial,1986.0
CHEMBL90,NCCc1c[nH]cn1,8910,MOL,0,Stimulant (gastric secretory),1939.0
CHEMBL900,Cc1ccccc1C(OCCN(C)C)c1ccccc1,77779,MOL,0,Antihistaminic; Relaxant (skeletal muscle),1957.0
CHEMBL902,NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1,78303,MOL,0,Antagonist (to histamine-H2 receptors),1986.0
CHEMBL904,COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1.Cl,78902,MOL,0,,2001.0
CHEMBL905,CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12,79047,MOL,0,Antimigraine,1998.0
CHEMBL90555,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1,142808,MOL,0,Antineoplastic,1963.0
CHEMBL90593,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O,149457,MOL,0,,2016.0
CHEMBL908,CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21,80209,MOL,0,Antipsychotic,1967.0
CHEMBL91,Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,8917,MOL,0,Antifungal,1974.0
CHEMBL911,Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1,80965,MOL,0,Sedative-Hypnotic,1992.0
CHEMBL91397,Cc1cncc(CN2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1,147769,MOL,0,,
CHEMBL914,CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1,81683,MOL,0,Antihistaminic,1996.0
CHEMBL915,CCCc1c2oc(C(=O)[O-])cc(=O)c2cc2c(=O)cc(C(=O)[O-])n(CC)c12.[Na+].[Na+],82047,MOL,0,Anti-Allergic (prophylactic),1992.0
CHEMBL916,CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O,82721,MOL,0,Treatment of Unstable Angina,1998.0
CHEMBL917,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F,82983,MOL,0,Antiviral; Antineoplastic,1970.0
CHEMBL918,NC(=O)NC(=O)Cc1ccccc1,83000,MOL,0,Anticonvulsant,1951.0
CHEMBL91829,CN(C)C[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1,144959,MOL,0,,
CHEMBL919,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)([O-])[O-].[Na+].[Na+],83044,MOL,0,Anticonvulsant,1996.0
CHEMBL9194,CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1,5200,MOL,0,,
CHEMBL92,CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C,9097,MOL,0,Antineoplastic,1996.0
CHEMBL922,CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C,83515,MOL,0,Antiviral,2002.0
CHEMBL923,O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O,83772,MOL,0,Regulator (calcium),1998.0
CHEMBL924,O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O,83838,MOL,0,"Bone Resorption Inhibitor; Osteoporosis Therapy Adjunct,Osteoporosis Therapy Adjunct,Osteoporosis Therapy Adjunct; Bone Resorption Inhibitor",2001.0
CHEMBL92401,CC(C)NNC(=O)c1ccncc1,150743,MOL,1,,
CHEMBL925,N[C@@H](Cc1ccc(O)cc1)C(=O)O,84482,MOL,0,Amino Acid,
CHEMBL926,CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1,84505,MOL,0,Cardiotonic,1978.0
CHEMBL927,C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\O)c3csc(N)n3)[C@H]2SC1,84624,MOL,0,Antibacterial,1997.0
CHEMBL928,O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[N-]1.[Na+],84644,MOL,0,Relaxant (skeletal muscle),1974.0
CHEMBL92870,Cc1cccc(C)c1NC(=O)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,150806,MOL,0,Vasodilator (coronary),
CHEMBL929,CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1.CS(=O)(=O)O,85233,MOL,0,Antiviral,1997.0
CHEMBL93,CC(c1cc2ccccc2s1)N(O)C(N)=O,9217,MOL,0,Inhibitor (5-lipoxygenase),1996.0
CHEMBL930,NC(=O)CC[C@H](N)C(=O)O,85305,MOL,0,,2004.0
CHEMBL931,FC(F)(F)C(Cl)Br,85649,MOL,0,Anesthetic (inhalation),1958.0
CHEMBL932,OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1,86042,MOL,0,Vasodilator (coronary),1961.0
CHEMBL93268,O=N[O-].[Na+],150941,MOL,0,Antidote (to cyanide poisoning),2011.0
CHEMBL93298,CC(C)(C)NCC(O)CSc1nc(-c2ccc(C(N)=O)s2)cs1,150436,MOL,0,,
CHEMBL934,CC(C)(C(=O)c1cccnc1)c1cccnc1,86284,MOL,0,Diagnostic Aid (pituitary function determination),1961.0
CHEMBL936,OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1,86466,MOL,0,Anti-Emetic,1967.0
CHEMBL93645,O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,150585,MOL,0,,
CHEMBL937,CCN(CC)C(=O)N1CCN(C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O,86784,MOL,0,Anthelmintic,1950.0
CHEMBL938,CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C,87771,BOTH,0,Antihypertensive,1982.0
CHEMBL939,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1,88232,MOL,0,,2003.0
CHEMBL94,CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C,9277,MOL,0,Cholinergic (ophthalmic),
CHEMBL940,NCC1(CC(=O)O)CCCCC1,88316,MOL,0,Anticonvulsant,1993.0
CHEMBL94081,C=CCOc1ccc(CC(=O)O)cc1Cl,150722,MOL,0,Anti-Inflammatory,
CHEMBL941,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1,88797,MOL,0,,2001.0
CHEMBL942,CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1,88841,MOL,0,Laxative,2004.0
CHEMBL94394,CCCCOc1ccc(CC(=O)NO)cc1,153408,MOL,0,,
CHEMBL944,CCN(CC)CCOC(=O)c1ccc(N)cc1Cl.Cl,89357,MOL,0,Anesthetic (local),1955.0
CHEMBL94454,CN(c1nccc(=O)[nH]1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,152819,MOL,0,,
CHEMBL945,N=C(N)NC(=O)c1nc(Cl)c(N)nc1N,89526,MOL,0,Diuretic,1981.0
CHEMBL946,CN1CCC(=C2c3ccccc3CCc3cccnc32)CC1,89672,MOL,0,Antihistaminic,1977.0
CHEMBL94657,C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1,152995,MOL,0,,
CHEMBL95,Nc1c2c(nc3ccccc13)CCCC2,9333,MOL,0,Cognition Adjuvant; Dementia Symptoms Treatment Adjunct,1993.0
CHEMBL951,CCOC(=O)CCCCCCCCC(C)c1ccc(I)cc1,91369,MOL,0,Diagnostic Aid (radiopaque medium),
CHEMBL953,CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1,92412,MOL,0,Antidyskinetic,1999.0
CHEMBL954,CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,92984,MOL,0,,
CHEMBL95431,NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N,157682,MOL,0,,
CHEMBL956,CC(C(=O)O)c1ccc(C(=O)c2cccs2)cc1,93117,MOL,0,Anti-Inflammatory,1985.0
CHEMBL957,COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO,93617,MOL,0,Antagonist (endothelin receptor),2001.0
CHEMBL95889,C[N+](C)(C)CC(=O)O,160056,MOL,0,Replenisher Adjunct (electrolyte),1996.0
CHEMBL959,CC(N)C12CC3CC(CC(C3)C1)C2,93858,MOL,0,Antiviral,1993.0
CHEMBL960,Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1,93895,MOL,0,,1998.0
CHEMBL962,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)[O-])C[C@@H]21.[Na+],94408,MOL,0,Inhibitor (platelet),1995.0
CHEMBL963,CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,94484,MOL,0,Analgesic (narcotic),1959.0
CHEMBL964,CCN(CC)C(=S)SSC(=S)N(CC)CC,94571,MOL,0,Alcohol Deterrent,1951.0
CHEMBL965,C[N+](C)(C)CCOC(N)=O,94790,MOL,0,Cholinergic (ophthalmic),1972.0
CHEMBL967,CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21,95909,MOL,0,Tranquilizer (minor),1981.0
CHEMBL96783,OC[C@H](O)[C@@H](O)[C@H](O)CO,153147,MOL,0,"Pharmaceutic Aid (vehicle, sweetened)",
CHEMBL968,CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21,95929,MOL,0,Sedative-Hypnotic; Relaxant (muscle); Anticonvulsant,1970.0
CHEMBL969,O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1,95969,MOL,0,Sedative-Hypnotic,1982.0
CHEMBL970,O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC(F)(F)F,95970,MOL,0,Sedative-Hypnotic,1981.0
CHEMBL971,CCCC(C)C1(CC)C(=O)[N-]C(=O)NC1=O.[Na+],95978,MOL,0,Sedative-Hypnotic,1973.0
CHEMBL972,C#CCN(C)[C@H](C)Cc1ccccc1,96021,MOL,0,Antidyskinetic; Antiparkinsonian (in combination with levodopa/carbidopa),1989.0
CHEMBL973,C/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1,96107,MOL,1,,2012.0
CHEMBL975,O=S(=O)([O-])CCS.[Na+],96595,MOL,0,Detoxifying Agent,1988.0
CHEMBL976,O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1,99024,MOL,0,Anthelmintic (veterinary),1982.0
CHEMBL977,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O,99284,MOL,0,"Adrenocortical Steroid,Glucocorticoid",1955.0
CHEMBL978,CC(=O)OC(C)C[N+](C)(C)C,99320,MOL,0,Cholinergic,1986.0
CHEMBL979,CCCC(C)(COC(N)=O)COC(N)=O,99389,MOL,0,Sedative-Hypnotic,1955.0
CHEMBL98,O=C(CCCCCCC(=O)Nc1ccccc1)NO,11305,MOL,0,,2006.0
CHEMBL980,COc1ccccc1OCC(O)CO,100157,MOL,0,Expectorant,2002.0
CHEMBL981,CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O,100310,MOL,0,,2008.0
CHEMBL98123,COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cl,154419,MOL,0,Relaxant (smooth muscle),
CHEMBL982,C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,100696,MOL,0,Antagonist (to narcotics),1995.0
CHEMBL983,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C.[Cl-].[Cl-],101810,MOL,0,Neuromuscular Blocking Agent,1952.0
CHEMBL984,COc1cc2c(cc1OC)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2.[Cl-].[Cl-],101924,MOL,0,Neuromuscular Blocking Agent,1992.0
CHEMBL985,NC(N)=O,102073,MOL,0,Diuretic,1996.0
CHEMBL986,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,104574,MOL,0,Vitamin (anti-xerophthalmic),
CHEMBL989,CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1,105252,MOL,0,Glucocorticoid,1963.0
CHEMBL990,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12,105442,MOL,0,Antifungal,1996.0
CHEMBL991,Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O,107119,MOL,0,Antiviral,1994.0
CHEMBL995,CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1.[K+],109797,MOL,0,Antihypertensive,1995.0
CHEMBL996,CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@@H]21,109807,MOL,0,Antibacterial,1978.0
CHEMBL9967,CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,6772,MOL,0,Anti-Ulcerative,
CHEMBL997,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O,110435,MOL,0,Antihypercalcemic; Bone Resorption Inhibitor,2003.0
CHEMBL998,CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1,110803,MOL,0,Antihistaminic,1993.0
CHEMBL99946,CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN,164035,MOL,0,,2013.0