zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC001428206510 | CCO[C@H](C(=O)N[C@H]1C[C@H](NC(=O)C2CC3(CC3)C2)C1)C1CC1 |
ZINC000383447425 | CCN[C@@H](CCN(C)[C@@H]1CCCN(C)C1)C(C)(C)OC |
ZINC000156243971 | CC(C)N(CCC(=O)O)[C@@H]1CCC(C)(C)C[C@H]1C |
ZINC000862869411 | CCOC(=O)C1=CC[C@@H](NC(=O)c2cn3ccccc3n2)C1 |
ZINC001017434437 | C[C@@H](C(=O)N1CC=C(CNC(=O)c2ncc[nH]2)CC1)C1CCOCC1 |
ZINC000682688415 | Cc1ccc(S(N)(=O)=O)cc1C(=O)N(C)CCCCO |
ZINC000491146407 | O=C1N[C@H]2CCN(C(=O)c3cccc(-n4cncn4)c3)C[C@@H]2CO1 |
ZINC000302016293 | Cc1cc(NC[C@@]2(N3CCOCC3)CCSC2)c2cccc([N+](=O)[O-])c2n1 |
ZINC000630234073 | O=C(O)[C@@H]1c2ccoc2CCN1C(=O)CCOC[C@@H]1CCCO1 |
ZINC001054960056 | Cc1ccccc1CN[C@H]1CN(C(=O)c2cccc3c[nH]nc23)C[C@@H]1C |
ZINC000353263262 | N#CCN1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)CC1 |
ZINC000406227888 | CC(C)(C)OC(=O)NCc1nc([C@@H](N)c2cc(F)ccc2F)cs1 |
ZINC001418144030 | CC(C)CNC(=O)[C@H](C)NC[C@H]1CCCN(C(=O)c2cocn2)C1 |
ZINC001304451476 | O=C(CNS(=O)(=O)c1ccc(Cl)s1)N[C@@H]([C@@H]1CCOC1)C(F)(F)F |
ZINC001817767730 | CCc1ccnc(C(=O)Nc2cc([C@H]3CCCCN3C(=O)CNC(=O)c3cccnc3)[nH]n2)c1 |
ZINC000228299462 | CCc1ccc(C(=O)CN2CCC(NC(C)=O)CC2)s1 |
ZINC001023465738 | CCCc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)cnn1C |
ZINC000337200928 | NC(=O)NC(=O)CCCN[C@@H](CO)c1cccc(Cl)c1F |
ZINC000177576096 | CO[C@@H](C)c1nc(CO/N=C(\C)c2cnn(C)c2)cs1 |
ZINC000183250155 | COCCN(C)CCCNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 |
ZINC001586459958 | CN(C)c1ncc(C(=O)Nc2ccc(N3C(=O)CCC3=O)cc2)cc1Cl |
ZINC001318211376 | COc1ccc(NC(=O)C(=O)NCc2nnc(C)n2C)c(C)c1 |
ZINC000514008972 | CCc1c(C(=O)NCc2ncoc2-c2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C |
ZINC001114927308 | CC(C)OCCCN1C[C@H]2C(NC(=O)c3ccsc3Cl)[C@@H]2C1 |
ZINC001157246622 | N[C@@H](CSSC[C@H](NC(F)(F)c1ccnc(Cl)n1)C(=O)O)C(=O)O |
ZINC001837253019 | CCOc1ncc(Cl)cc1C(=O)N1CCOC[C@]2(CN(C(=O)/C=C\C(=O)NC3CC3)CCO2)C1 |
ZINC001325067734 | COC1(C)CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCCN3C)C2)CC1 |
ZINC000982130171 | CC(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ncoc2C(C)C)C1 |
ZINC001556656045 | COc1ccc(N2CCN(C(=O)/C=C\C(=O)NC[C@]3(C)CC3(Cl)Cl)CC2)cc1 |
ZINC000231850235 | CCN(C)C(=O)[C@@H](C)N[C@H]1CCCCNC1=O |
ZINC000924798608 | C[C@H](N[C@@H](C)C1CCN(S(C)(=O)=O)CC1)c1ccc(N2CCOC2=O)cc1 |
ZINC001819234027 | C=C[C@@H](O)C(C)(C)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc3cn[nH]c3cn2)n[nH]1 |
ZINC001546038221 | CCC(O)(CC)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](COC)C1 |
ZINC000544540315 | COc1ccc([C@@H]2[C@H](C(=O)N[C@H]3CNC(=O)C3)CC(=O)N2C)cc1 |
ZINC001834894510 | Cc1cnn(CC(=O)NC2CCN(C3CCN(C(=O)c4cccc(Cl)c4)CC3)CC2)c1 |
ZINC001478519654 | CCC[C@H](O)CCNC(=O)NCCN1CCC2(CCCCC2)CC1 |
ZINC000073444067 | C[C@H](O)CC(C)(C)CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 |
ZINC000471087008 | Cc1nc2ccc(C(=O)Nc3cnc(N4CCCC[C@@H]4C)c(C)c3)cc2o1 |
ZINC000354737134 | C/C=C/c1ccc(NC(=O)C(=O)N(C)[C@H](C)C2CCC2)cc1 |
ZINC001114211140 | CCCC[C@H](CNc1ccc(C#N)nc1)NC(=O)CNC(=O)OC |
ZINC001533208136 | CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2ccc(=O)n(-c3ccccc3F)n2)[C@@H]1n1cccn1 |
ZINC000968037701 | C#CCN1CCC(C(=O)N(CC)C2CN(C(=O)/C=C/C3CC3)C2)CC1 |
ZINC001448263042 | CCCC[C@@H](CN[C@H]1CCCNC1=O)NC(=O)c1cncc(OC)n1 |
ZINC000771600293 | C#CCOc1ccccc1[C@H](C)OC(=O)CCNS(C)(=O)=O |
ZINC000764071507 | C#C[C@@H](CC)OC(=O)C1Cc2ccccc2C1 |
ZINC000288266216 | COC(=O)C(C)(C)CS(=O)(=O)Nc1ccccc1NC(C)(C)C |
ZINC001797565864 | C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1c[nH]c2cnccc12)[C@@H]1SC(=N)NC1=O |
ZINC000048975756 | Cc1cc(Br)oc1C(=O)N[C@H]1CCc2c(Cl)cccc21 |
ZINC001650580628 | O=C(N[C@@H]1CCC[C@H]1N1CCC(O)CC1)c1cc(Cl)c(Cl)[nH]1 |
ZINC001028017068 | COc1cnc(C(=O)NC[C@H]2CCCN2Cc2cnns2)nc1 |
ZINC000719591856 | CCCOc1nc(Cl)nc(NCc2nc(C)c(C)s2)n1 |
ZINC001765630837 | CCNC(=O)c1cccc(Cn2c(COCC)nnc2N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1 |
ZINC000374199022 | Cc1cc(S(C)(=O)=O)ccc1NC(=O)C(=O)N1CCC(c2cnc[nH]2)CC1 |
ZINC001299603562 | C/C=C(\C)C(=O)N1CC[C@@](C)(CNC(=O)CCN(C)CC)C1 |
ZINC000820137882 | CC(C)NC(=O)c1ccccc1NC(=O)Cc1cccc(-c2nn[nH]n2)c1 |
ZINC000153018857 | Cc1n[nH]c(C(C)C)c1C(=O)N1CCn2cnnc2C1 |
ZINC000559315328 | COc1cc2c(cc1S(=O)(=O)N1CC[C@](C(=O)O)(C(F)(F)F)C1)OCC(=O)N2 |
ZINC001480207931 | CCC/C=C/CCN[C@H]1C[C@@H](NC(=O)c2ccc(N(C)C)cc2F)C1 |
ZINC000651007106 | O=C(NCC1CCN(c2ccncc2)CC1)N1CCn2c(CC3CC3)nnc2C1 |
ZINC000940748666 | C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1c1ccccc1 |
ZINC001037899042 | CC[C@H]1CN(C(=O)c2c(C)nn(C)c2C)CC[C@@H]1NCC1CCCC1 |
ZINC001116969564 | CC(C)n1ncc2c1[C@@H](NC(=O)C(=O)NCc1nc3ccccc3s1)CCC2 |
ZINC001759656295 | Cn1nccc1C(=O)NC/C=C\CNC(=O)Cc1ccncc1Cl |
ZINC001585122128 | C=C[C@@H](CC)CC(=O)NCC1(NC(=O)CC2CCOCC2)CC1 |
ZINC000262710137 | Cc1ccc(Oc2ccccc2NC(=O)c2ccn([C@H]3CCCNC3)n2)cc1 |
ZINC000937176317 | CCCC(=O)N1CCCC[C@H]1CNC(=O)c1c(Cl)n[nH]c1C |
ZINC001011304900 | C=C[C@@](C)(CC)C(=O)N1CCN(C(=O)[C@H]2CCn3ccnc3C2)CC1 |
ZINC000638842022 | N=c1[nH]cc(CN2CCC(F)(F)C2)c(=N)[nH]1 |
ZINC000904604244 | COc1cccc(-c2noc(/C=C(\C)c3cccs3)n2)c1 |
ZINC000955253753 | CCC[C@@H]1C[C@H]1C(=O)N(C)C1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)C1 |
ZINC000537235947 | CC(C)[C@@H]1CCN1C(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 |
ZINC001030935454 | N#Cc1ccc(CN2CC(NC(=O)[C@H]3CCCc4nc[nH]c43)C2)s1 |
ZINC000575934765 | O=C(Cc1cncc(O)c1)NCCNC(=O)CC1CCCC1 |
ZINC001566555115 | CCN(CCCNC(=O)c1cncc(OC)c1C)Cc1ccccc1 |
ZINC001794409347 | COc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CCCc2ccncc2)c(O)c1 |
ZINC001812175344 | C=C(C)CC(C)(C)C(=O)N1CC[C@@H](CNC(=O)c2cccc3nccn23)[C@H]1c1cccnc1 |
ZINC000812037861 | C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC |
ZINC001100491703 | CCOCCNC1CC(CNC(=O)c2cc(Cl)n(C)n2)C1 |
ZINC001700196187 | C=C(C)CN1CCC[C@@H]([C@H]2CCCN(C(=O)COCC3CC3)C2)C1 |
ZINC000419513467 | CC(C)C[C@@H](CN)NC(=O)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C |
ZINC001170857993 | CC[C@](N)(CO)Nc1nc(Cl)nc(C2CCCC2)n1 |
ZINC000439555725 | C[C@H](Nc1ccc(OCC(F)(F)F)nc1)C(=O)N1CCSc2ccccc21 |
ZINC000847362815 | O=C(NCc1ccc2c(n1)CCCC2)NC[C@H]1CN(C2CC2)C(=O)O1 |
ZINC000938512121 | Cn1ccc(C(=O)N2CC[C@H](NC(=O)c3ncccn3)C2)n1 |
ZINC001340203979 | CCSCCC(=O)N(C)C[C@H]1CCCCN1C(=O)CCC(C)C |
ZINC001111435234 | O=C(CCCOc1cccnc1)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cnon1 |
ZINC000665596728 | COCc1csc(CNC(=O)Nc2ccc(CC(=O)N(C)C)cc2)c1 |
ZINC000876537694 | CSc1ccccc1NC(=O)CN(C)Cc1cccnc1Br |
ZINC000813333041 | Fc1cc(F)c(CNCCO[C@@H]2CCCCO2)cc1F |
ZINC000584026156 | O=C(COn1cccn1)N1CCC[C@@H]2CCCC[C@@H]21 |
ZINC001544899817 | C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NCCc1coc(-c2ccc(OC)cc2)n1 |
ZINC001804414563 | Cc1ccc(CCC(=O)N2CC[C@H](CNC(=O)Cc3noc(C(C)C)n3)[C@@H]2c2cccnc2)cc1 |
ZINC000811935369 | Cn1cc(N2CCN(C(=O)NCc3ccc(C(=O)OCc4ccccc4)cc3)CC2=O)cn1 |
ZINC000591097209 | CC(C)NC(=O)CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 |
ZINC000413887396 | CCc1cnc(CN(C)C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)s1 |
ZINC000808940314 | C[C@H](Sc1ccccc1)c1ccc(NC(=O)C(=O)Nc2cccc3c2COC3=O)cc1 |
ZINC000659204890 | Cc1ccc(C(=O)Nc2ccn(C(C)(C)C(=O)O)n2)c(F)c1 |
ZINC000553997785 | Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)N[C@@H]2CC(=O)N(C)C2)C1=O |
ZINC000219053101 | CC(C)(C)OC(=O)N1CC[C@@H]([C@H](O)Cc2c(Cl)cccc2Cl)C1 |
ZINC001655761595 | CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2C3CCC2(C(N)=O)CC3)CCC1 |