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All Molecules

IDNameSMILESStructureLink
CHEMBL1006 CHEMBL1006 NCCCNCCSP(=O)(O)O View
CHEMBL1009 CHEMBL1009 N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O View
CHEMBL101253 CHEMBL101253 Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1 View
CHEMBL1016 CHEMBL1016 CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 View
CHEMBL1029 CHEMBL1029 CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO View
CHEMBL103667 CHEMBL103667 Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1 View
CHEMBL1046 CHEMBL1046 NCCCCCC(=O)O View
CHEMBL106 CHEMBL106 OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F View
CHEMBL1062 CHEMBL1062 CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C View
CHEMBL1082 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 View
CHEMBL1086997 CHEMBL1086997 CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO View
CHEMBL1095032 CHEMBL1095032 O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCCNC2=O)CC1 View
CHEMBL1103 CHEMBL1103 O=C1OCCN1/N=C/c1ccc([N+](=O)[O-])o1 View
CHEMBL110458 CHEMBL110458 OC[C@H]1NC[C@H](O)[C@@H](O)[C@H]1O View
CHEMBL1105 CHEMBL1105 COc1ccc2cc(CC(=O)O)ccc2c1 View
CHEMBL1116 CHEMBL1116 Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12 View
CHEMBL112 CHEMBL112 CC(=O)Nc1ccc(O)cc1 View
CHEMBL113 CHEMBL113 Cn1c(=O)c2c(ncn2C)n(C)c1=O View
CHEMBL114715 CHEMBL114715 N=C(N)NCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC1CCCCC1)NCC(=O)O View
CHEMBL1159 CHEMBL1159 CC(N/C(=N\C#N)Nc1ccncc1)C(C)(C)C View
CHEMBL116 CHEMBL116 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 View
CHEMBL1166 CHEMBL1166 CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1 View
CHEMBL119 CHEMBL119 COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC View
CHEMBL119385 CHEMBL119385 O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl View
CHEMBL1200624 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 View
CHEMBL1201207 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 View
CHEMBL1222251 CHEMBL1222251 O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O View
CHEMBL1241348 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 View
CHEMBL124660 CHEMBL124660 COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1 View
CHEMBL1256819 CHEMBL1256819 Cl.c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1 View
CHEMBL1276308 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 View
CHEMBL12856 CHEMBL12856 Nc1cc(-c2ccncc2)c[nH]c1=O View
CHEMBL1289 CHEMBL1289 Clc1cc(Cl)c(OCC#CI)cc1Cl View
CHEMBL1336 CHEMBL1336 CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 View
CHEMBL1339 CHEMBL1339 CCCc1nc(C)c2c(O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nn12.Cl View
CHEMBL135 CHEMBL135 C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O View
CHEMBL1358 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 View
CHEMBL1365675 CHEMBL1365675 Cc1ccc(/N=C/N(C)/C=N/c2ccc(C)cc2C)c(C)c1 View
CHEMBL1370561 CHEMBL1370561 Cn1c(=O)c2[nH]cnc2n(C)c1=O.Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCN View
CHEMBL13828 CHEMBL13828 O=c1[nH]c2ccccc2n1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 View
CHEMBL1405 CHEMBL1405 C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O View
CHEMBL141305 CHEMBL141305 CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1 View
CHEMBL142635 CHEMBL142635 COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 View
CHEMBL145 CHEMBL145 O=C(O)/C=C/c1ccc(O)c(O)c1 View
CHEMBL14762 CHEMBL14762 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 View
CHEMBL1496 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 View
CHEMBL1520 CHEMBL1520 CCCc1nc(C)c2c(=O)nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)[nH]n12 View
CHEMBL1536 CHEMBL1536 C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12 View
CHEMBL1561 CHEMBL1561 OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO View
CHEMBL1580 CHEMBL1580 OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O View
CHEMBL1642 CHEMBL1642 CS(=O)(=O)O.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 View
CHEMBL17 CHEMBL17 NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1 View
CHEMBL1721885 CHEMBL1721885 Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 View
CHEMBL1737 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 View
CHEMBL174 CHEMBL174 CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O View
CHEMBL177 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 View
CHEMBL17962 CHEMBL17962 N[C@@H](Cc1c[nH]cn1)C(=O)O View
CHEMBL18 CHEMBL18 CCOc1ccc2nc(S(N)(=O)=O)sc2c1 View
CHEMBL186141 CHEMBL186141 C=C1CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O View
CHEMBL188921 CHEMBL188921 COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1 View
CHEMBL189 CHEMBL189 Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1 View
CHEMBL19 CHEMBL19 CC(=O)/N=c1/sc(S(N)(=O)=O)nn1C View
CHEMBL190 CHEMBL190 Cn1c(=O)c2[nH]cnc2n(C)c1=O View
CHEMBL192 CHEMBL192 CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12 View
CHEMBL1922235 CHEMBL1922235 COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1 View
CHEMBL19224 CHEMBL19224 COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC View
CHEMBL19633 CHEMBL19633 COc1ccc(Cc2cnc(N)nc2N)cc1OC View
CHEMBL20 CHEMBL20 CC(=O)Nc1nnc(S(N)(=O)=O)s1 View
CHEMBL2016757 CHEMBL2016757 N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO)[C@@H](O)[C@H]1O View
CHEMBL206335 CHEMBL206335 CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1 View
CHEMBL206834 CHEMBL206834 Cc1ccc(NC(=O)c2ccc(CN3CC[C@H](N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1 View
CHEMBL21 CHEMBL21 Nc1ccc(S(N)(=O)=O)cc1 View
CHEMBL2110680 CHEMBL2110680 COc1cc([S+](C)[O-])ccc1-c1nc2cnccc2[nH]1 View
CHEMBL215152 CHEMBL215152 CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1 View
CHEMBL217092 CHEMBL217092 CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1 View
CHEMBL218490 CHEMBL218490 CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 View
CHEMBL22 CHEMBL22 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC View
CHEMBL220050 CHEMBL220050 C[C@@H](C(=O)N1CCOCC1)N1CC[C@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)C1=O View
CHEMBL220491 CHEMBL220491 CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21 View
CHEMBL220492 CHEMBL220492 CC1(C)O[C@@H]2[C@@H](CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@@H]23)O1 View
CHEMBL221959 CHEMBL221959 C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12 View
CHEMBL2220442 CHEMBL2220442 CC(C)n1c(/C=C/C(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21 View
CHEMBL223360 CHEMBL223360 Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH]nc(N)c34)cc2)c1 View
CHEMBL225072 CHEMBL225072 Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1 View
CHEMBL24 CHEMBL24 CC(C)NCC(O)COc1ccc(CC(N)=O)cc1 View
CHEMBL242948 CHEMBL242948 NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O View
CHEMBL24828 CHEMBL24828 COc1cc2/c(=N/c3ccc(Br)cc3F)nc[nH]c2cc1OCC1CCN(C)CC1 View
CHEMBL259084 CHEMBL259084 O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1 View
CHEMBL266349 CHEMBL266349 N=C(N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(=O)O)C2CCCCC2)cc1 View
CHEMBL267345 CHEMBL267345 C[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/C=C/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](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C(=O)O View
CHEMBL270515 CHEMBL270515 CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B(O)O View
CHEMBL273196 CHEMBL273196 CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N View
CHEMBL273264 CHEMBL273264 N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 View
CHEMBL274323 CHEMBL274323 N[C@@H](CC(=O)O)C(=O)O View
CHEMBL276711 CHEMBL276711 Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1 View
CHEMBL280378 CHEMBL280378 CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-n1cccc1 View
CHEMBL28079 CHEMBL28079 CCCOc1ccccc1-c1nc2[nH]nnc2c(=O)[nH]1 View
CHEMBL281872 CHEMBL281872 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCn1ccnn1 View
CHEMBL284348 CHEMBL284348 Nc1ccncc1 View
CHEMBL284483 CHEMBL284483 OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)[C@H](O)[C@@H]1O View
CHEMBL286020 CHEMBL286020 COc1cc([S+](C)[O-])ccc1-c1nc2cccnc2[nH]1 View
CHEMBL286452 CHEMBL286452 C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@H]2O View
CHEMBL288441 CHEMBL288441 COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl View
CHEMBL290106 CHEMBL290106 Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O View
CHEMBL290916 CHEMBL290916 CC1=NN(c2ccccc2)C(=O)C1 View
CHEMBL296373 CHEMBL296373 CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 View
CHEMBL296419 CHEMBL296419 COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 View
CHEMBL296468 CHEMBL296468 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 View
CHEMBL299613 CHEMBL299613 COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 View
CHEMBL30008 CHEMBL30008 Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 View
CHEMBL301523 CHEMBL301523 N[C@@H](Cc1ccccc1)C(=O)O View
CHEMBL305686 CHEMBL305686 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O View
CHEMBL307429 CHEMBL307429 OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O View
CHEMBL3084803 CHEMBL3084803 CO[C@H]1[C@@H](O)[C@H](N)[C@@H](O[C@H]2O[C@H]([C@H](C)N)CC[C@H]2N)[C@H](O)[C@@H]1N(C)C(=O)CN View
CHEMBL31 CHEMBL31 COc1c(N2CCNC(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 View
CHEMBL313842 CHEMBL313842 COc1cc(-c2ccc(=O)[nH]n2)ccc1OC(F)F View
CHEMBL314854 CHEMBL314854 CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 View
CHEMBL31965 CHEMBL31965 C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1 View
CHEMBL32039 CHEMBL32039 COCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC View
CHEMBL3215298 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@]54O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O View
CHEMBL325041 CHEMBL325041 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O View
CHEMBL32749 CHEMBL32749 COc1cc(/C=C/C(=O)O)ccc1O View
CHEMBL3354637 CHEMBL3354637 OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccccc2)c(F)c1 View
CHEMBL34259 CHEMBL34259 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 View
CHEMBL34431 CHEMBL34431 CN(C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1)C1CCCCC1 View
CHEMBL35 CHEMBL35 NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl View
CHEMBL356323 CHEMBL356323 Nc1nc2c([nH]1)c(=O)n(CC1CC1)c(=O)n2CC1CC1 View
CHEMBL36 CHEMBL36 CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1 View
CHEMBL37390 CHEMBL37390 CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C View
CHEMBL376180 CHEMBL376180 Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1 View
CHEMBL402548 CHEMBL402548 CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1 View
CHEMBL411 CHEMBL411 CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 View
CHEMBL415690 CHEMBL415690 OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]1[C@H](O)[C@H]2O)O[C@@H]8CO)O[C@@H]7CO)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO View
CHEMBL417975 CHEMBL417975 CC(C)CN[C@H]1CCS(=O)(=O)c2sc(S(N)(=O)=O)cc21 View
CHEMBL419 CHEMBL419 NCc1ccc(S(N)(=O)=O)cc1 View
CHEMBL428690 CHEMBL428690 CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1 View
CHEMBL429694 CHEMBL429694 Nc1c(/N=N/c2ccc(-c3ccc(/N=N/c4cc(S(=O)(=O)[O-])c5ccccc5c4N)cc3)cc2)cc(S(=O)(=O)[O-])c2ccccc12.[Na+].[Na+] View
CHEMBL435 CHEMBL435 NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O View
CHEMBL44 CHEMBL44 O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12 View
CHEMBL441687 CHEMBL441687 CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 View
CHEMBL441738 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 View
CHEMBL44426 CHEMBL44426 Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12 View
CHEMBL445813 CHEMBL445813 O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl View
CHEMBL456 CHEMBL456 C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl View
CHEMBL45816 CHEMBL45816 COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C View
CHEMBL46740 CHEMBL46740 Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12 View
CHEMBL476960 CHEMBL476960 OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O View
CHEMBL477 CHEMBL477 Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O View
CHEMBL477772 CHEMBL477772 Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O View
CHEMBL482968 CHEMBL482968 Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1 View
CHEMBL483321 CHEMBL483321 COCC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1 View
CHEMBL48361 CHEMBL48361 Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C(=O)N(CCC(=O)O)c3ccccn3)ccc21 View
CHEMBL48449 CHEMBL48449 C[C@@]12C(=O)OC(=O)[C@]1(C)[C@H]1CC[C@@H]2O1 View
CHEMBL485259 CHEMBL485259 CC12CCC(CC1)C(C)(C)O2 View
CHEMBL4863829 CHEMBL4863829 CC(C)C(=O)OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@H](O)[C@@H]1O View
CHEMBL49035 CHEMBL49035 CC1(C)Oc2ccc(C#N)cc2C(N2CCCC2=O)C1O View
CHEMBL495727 CHEMBL495727 O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1 View
CHEMBL496 CHEMBL496 Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl View
CHEMBL50 CHEMBL50 O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 View
CHEMBL502620 CHEMBL502620 CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC View
CHEMBL50588 CHEMBL50588 CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 View
CHEMBL508102 CHEMBL508102 CCOC(=O)n1ccn(C)c1=S View
CHEMBL511115 CHEMBL511115 COc1ccc([C@]2(C#N)CC[C@@H](C(=O)O)CC2)cc1OC1CCCC1 View
CHEMBL515914 CHEMBL515914 CC(=O)OC[C@H]1O[C@@H](n2ncc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O View
CHEMBL517712 CHEMBL517712 CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2 View
CHEMBL522892 CHEMBL522892 CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1 View
CHEMBL5314360 CHEMBL5314360 CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@@H](O)[C@@H]6OC View
CHEMBL5314374 CHEMBL5314374 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+] View
CHEMBL535 CHEMBL535 CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C View
CHEMBL53538 CHEMBL53538 CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCO)CC4)ccc3OCC)nc12 View
CHEMBL545315 CHEMBL545315 C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1.Cl.Cl View
CHEMBL553 CHEMBL553 C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1 View
CHEMBL554 CHEMBL554 CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1 View
CHEMBL558752 CHEMBL558752 Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21 View
CHEMBL564829 CHEMBL564829 CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2 View
CHEMBL572878 CHEMBL572878 Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1 View
CHEMBL572881 CHEMBL572881 CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21 View
CHEMBL574738 CHEMBL574738 CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 View
CHEMBL601719 CHEMBL601719 C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl View
CHEMBL607707 CHEMBL607707 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C View
CHEMBL608533 CHEMBL608533 CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 View
CHEMBL629 CHEMBL629 CN(C)CCC=C1c2ccccc2CCc2ccccc21 View
CHEMBL63 CHEMBL63 COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1 View
CHEMBL642 CHEMBL642 CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1 View
CHEMBL64894 CHEMBL64894 CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1.[Cl-] View
CHEMBL712 CHEMBL712 COc1ccc(C2C(=O)c3ccccc3C2=O)cc1 View
CHEMBL734 CHEMBL734 CC(=O)NO View
CHEMBL747 CHEMBL747 CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 View
CHEMBL7492 CHEMBL7492 COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1 View
CHEMBL768 CHEMBL768 COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1 View
CHEMBL77517 CHEMBL77517 NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1 View
CHEMBL779 CHEMBL779 CN1CC(=O)N2[C@H](c3ccc4c(c3)OCO4)c3[nH]c4ccccc4c3C[C@@H]2C1=O View
CHEMBL81 CHEMBL81 O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12 View
CHEMBL8145 CHEMBL8145 O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12 View
CHEMBL8184 CHEMBL8184 CCCCNc1c(C(=O)OCC)cnc2c1cnn2CC View
CHEMBL8260 CHEMBL8260 O=c1cc(-c2ccccc2)oc2cc(O)c(O)c(O)c12 View
CHEMBL83 CHEMBL83 CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1 View
CHEMBL844 CHEMBL844 Brc1c(NC2=NCCN2)ccc2nccnc12 View
CHEMBL865 CHEMBL865 Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1 View
CHEMBL87563 CHEMBL87563 CCOC(=O)c1ccc(OC(=O)CCCCCNC(=N)N)cc1 View
CHEMBL90 CHEMBL90 NCCc1c[nH]cn1 View
CHEMBL917 CHEMBL917 O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F View
CHEMBL91829 CHEMBL91829 CN(C)C[C@@H]1CCn2cc(c3ccccc32)C2=C(C(=O)NC2=O)c2cn(c3ccccc23)CCO1 View
CHEMBL932 CHEMBL932 OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1 View
CHEMBL939 CHEMBL939 COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 View
CHEMBL941 CHEMBL941 Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1 View
CHEMBL945 CHEMBL945 N=C(N)NC(=O)c1nc(Cl)c(N)nc1N View
CHEMBL98 CHEMBL98 O=C(CCCCCCC(=O)Nc1ccccc1)NO View
CHEMBL980 CHEMBL980 COc1ccccc1OCC(O)CO View
CHEMBL989 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 View