zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000823454223 | COC(=O)c1cnc([C@@H](C)NCC(=O)N=c2cc[nH]n2[C@H](C)C2CC2)s1 |
ZINC000923386174 | Cn1nc(C(F)(F)F)cc1CNC(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 |
ZINC000847091506 | CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C(=O)N2Cc3ccc(Cl)cc3C2)C1 |
ZINC000213869973 | C[C@H](Nc1cccc(OCC#N)c1)c1ccc(Cl)c(F)c1 |
ZINC000352435261 | CC(=O)C1(C(=O)NC[C@@H]2CC[C@H](C)C2)CC1 |
ZINC000743435237 | Cc1cc(C=NNC(=O)NC2CCCC2)ccc1-n1cncn1 |
ZINC001649808050 | CCC1(O)CCC(NS(=O)(=O)c2c[nH]c(C(F)(F)F)c2)CC1 |
ZINC001271460310 | Cc1nc[nH]c1C(=O)N1CC[C@@H](NCC(=O)NCC#N)[C@@H](C)C1 |
ZINC000914161749 | Cc1csc(C)c1S(=O)(=O)N[C@H](CO)C1CC1 |
ZINC001377565962 | NC(=O)NCCC(=O)NCCN(CC1CCCCCC1)C1CC1 |
ZINC001724153067 | Cc1cnc(CN2CC[C@](C)(NC(=O)CCc3ccsc3)C2)s1 |
ZINC000718818776 | O=C(O)c1cc(F)cnc1NCc1cnoc1 |
ZINC001369347269 | O=C(CN[C@H](CO)CNC(=O)C1CC2(CC2)C1)NC1CCOCC1 |
ZINC001594320621 | C[C@@H]1CC[C@H](NCc2cc(C(=O)O)c3n2CCCC3)CN1C(=O)OC(C)(C)C |
ZINC001105112204 | Cc1cnc(C(=O)NC[C@H](Nc2cccc(F)c2C#N)C(C)C)cn1 |
ZINC001506195030 | CC1(C(=O)NCC2(NC(=O)[C@H]3CC[C@H]4C[C@H]4CC3)CC2)CC=CC1 |
ZINC000073105842 | CCOC(=O)C1(C(=O)N2CCC(C(=O)NC3CCCCC3)CC2)CC1 |
ZINC000651026663 | CC[C@H]1CO[C@H](CC)CN1C(=O)NCC[C@@H]1CCOC1 |
ZINC001493898156 | C=CCC1(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)CCCC1 |
ZINC000604050359 | COc1ccc(Cl)cc1CS[C@H](C)c1nc(C(C)C)no1 |
ZINC000967105979 | CC1(CC(=O)N2CC[C@@H](NC(=O)Cc3cnoc3)C(C)(C)C2)CC1 |
ZINC000037370334 | CCS(=O)(=O)CCOc1c(Br)cc(CN)cc1OC |
ZINC001401423247 | CCNC(=O)CN(C)CCN(C)C(=O)[C@H](NC(C)=O)C(C)C |
ZINC000988993668 | Cc1ccc(C(=O)N[C@H]2CCN(C(=O)c3ccco3)[C@@H]2C)nc1C |
ZINC000399277510 | CCn1c(N)c(N2C[C@H](O)CC[C@@H]2C)c(O)nc1=O |
ZINC000778059463 | C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CSC[C@H]1CCCCO1 |
ZINC001615305646 | CCN(C[C@H](O)c1ccc(C)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCC1(F)F |
ZINC001011225103 | CC[C@@H](C(=O)N1CCN(C(=O)c2cnc3[nH]cnc3c2)CC1)N(C)C |
ZINC001489208399 | COCCCN1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH]nc4C3)C[C@@H]2C1 |
ZINC000727499648 | CC(C)=C[C@H]1[C@H](C(=O)NNC(=S)Nc2ccc(OC(C)C)cc2)C1(C)C |
ZINC001605975974 | Cc1cnc(C(=O)NC[C@H](CO)Nc2cncc(-c3nn[nH]n3)n2)cn1 |
ZINC001187245385 | CCOC(=O)CCNC(=O)NC[C@@H](CO)c1ccc(Cl)cc1 |
ZINC001804343274 | COc1ncccc1C(=O)N1CC[C@H](CNC(=O)C[C@H]2NC(=O)NC2=O)[C@H]1c1cccnc1 |
ZINC001682851729 | C[C@@H]1CN(C(=O)c2cccc3nsnc23)C[C@H]1NC(=O)C#CC(C)(C)C |
ZINC000157242087 | CSC[C@H]1CCCN1C(=O)c1nnn(-c2cccc(Cl)c2)c1C |
ZINC001284218027 | C/C=C(\C)C(=O)NC[C@H](C)NC(=O)C(=O)C(C)(C)C |
ZINC001235234170 | COC1CCC(CN2CCC([C@H]3CCCCN3)CC2)CC1 |
ZINC001159969612 | N[C@H](CC(=O)N1C[C@H]2C[C@H]1CN(C(=O)c1cccc(F)c1)C2)Cc1ccc(F)c(F)c1 |
ZINC000177754983 | CN(C)S(=O)(=O)c1ccc(NC(=O)Cn2ccnn2)cc1 |
ZINC001101848825 | Cc1nc(NCCN(C)C(=O)[C@H]2CCS(=O)(=O)C2)ccc1C#N |
ZINC000515633467 | COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 |
ZINC000709160952 | O=C(O)CCS(=O)(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2CN1 |
ZINC000981751989 | C[C@@H](C(=O)N(C)C)N1CCCC2(CN(C(=O)[C@@H]3CC3(F)F)C2)C1 |
ZINC001398920758 | CC[C@H](CNC(=O)Cc1cc[nH]n1)NC(=O)[C@H](C)c1ccccc1F |
ZINC000687027735 | CC(C)[C@@H](C)[C@H](O)c1ccnn1CC1CC1 |
ZINC001197358941 | COc1cccc(CS(=O)(=O)Nc2cnc(-n3nccn3)c(Cl)c2)c1 |
ZINC000289075212 | C[C@H](CN1CCOCC1)NC(=O)c1ocnc1C1CC1 |
ZINC000500736882 | Cc1ccc(CCN(Cc2ccco2)C(=O)C(=O)Nc2cc3n(n2)CCCC3)cc1 |
ZINC001051531990 | CCCn1nnnc1CNC[C@H]1CN(C(=O)c2cc[nH]c2C)CCO1 |
ZINC000343549076 | CCn1nccc1NC(=O)NCC[C@@H](C)OC |
ZINC000906171694 | C[C@@H]1CCCN(CCNC(=O)c2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)C1 |
ZINC001355615927 | COC(=O)Cc1cccc(NC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)c1 |
ZINC000443482354 | C[C@@H](CNC(=O)N[C@@H]1CCSc2c(F)cccc21)S(N)(=O)=O |
ZINC000974313719 | COc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)c3cnn(C)n3)C2)cc(C)n1 |
ZINC000844809448 | C[C@]1(CCNC(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)C[C@]1(F)Cl |
ZINC001248613320 | Nc1ncnc2c1ncn2Cc1nc(-c2ccccc2-n2ccnc2)no1 |
ZINC000044397770 | COc1cc(Cl)c(CCN)c(Cl)c1O |
ZINC000836594193 | CO[C@](C)(CNC(=O)N1CCC=C(Br)C1)c1ccccc1 |
ZINC001522079416 | C[C@@]1(CNC(=O)[C@@H]2C[C@H]2C2CC2)CN(C(=O)c2cc(Cl)no2)CCO1 |
ZINC001813189868 | CC[C@H]1CC[C@H](C(=O)N2CC[C@H](CNC(=O)[C@H]3CC[C@H](O)CC3)[C@H]2c2cccnc2)CC1 |
ZINC001059776282 | Cc1cc(N[C@H]2C[C@@H](NC(=O)c3c[nH]nc3C)C2)nc(CO)n1 |
ZINC001283575046 | CN(CCCNC(=O)[C@H]1CCCCC1(C)C)C(=O)[C@@H]1COC(=O)N1 |
ZINC001080351062 | CCN(C(=O)Cc1ncc[nH]1)C1CN(C(=O)C2(CF)CCC2)C1 |
ZINC001815724392 | COc1cc(CCC(=O)Nc2cc([C@H]3CCCCN3C(=O)[C@H](O)C(C)C)[nH]n2)ccn1 |
ZINC000442064571 | CO[C@@H]1[C@@H](C)[C@H](NC(=O)Nc2nc(C3CCC3)cs2)C1(C)C |
ZINC001824634041 | CC(=O)NCC(C)(C)C(=O)N1CCCC[C@H]1C1CCN(C(=O)Cc2ccc(C)c(C)c2)CC1 |
ZINC000066636783 | CCn1c(CNC(=O)Cc2ccccc2)n[nH]c1=S |
ZINC001572696913 | Cc1nc[nH]c1C(=O)N1CC=C(CCNC(=O)c2ncn(C)n2)CC1 |
ZINC000709654752 | CNc1ccc(C(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)cn1 |
ZINC000237623492 | C[C@H](C(=O)O)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 |
ZINC000871478623 | CCOC(=O)[C@H](CC=C(C)C)NC(=O)c1cccc(Cn2cncn2)c1 |
ZINC001121620014 | C=CCn1c(-c2sc3ccccc3c2N)nnc1N1C[C@H](OC)[C@H](OC)C1 |
ZINC001572617589 | C[C@@H]1CC[C@@H](NC(=O)C(C)(C)C(N)=O)CN1C(=O)c1cnn[nH]1 |
ZINC001798891666 | COc1cc(C)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)no2)cc1OC |
ZINC000629091280 | O=C([C@@H](O)CCc1ccccc1)N1C[C@@H]2CCC[C@]2(CO)C1 |
ZINC001726668867 | C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(C)CN(C)C2=O)C[C@@H](C)O1 |
ZINC000967151243 | CCc1ncoc1C(=O)N[C@H]1CCN(C(=O)[C@H](C)OC)CC1(C)C |
ZINC000246169004 | CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cc(OC)ccc2F)C1 |
ZINC001737859017 | C=CC(C)(C)C(=O)N(CCC)CCNC(=O)Cc1ccccc1C |
ZINC000733239735 | CO[C@@H](CNC(=O)[C@@H](Oc1ccccc1)c1ccccc1)C(F)(F)F |
ZINC001829632371 | COCc1c[nH]c(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3ccc(CO)c(F)c3)CC2)c1 |
ZINC000921159145 | CC(=O)Nc1cc(NC(=O)c2ccccc2OCC#N)c(F)cc1F |
ZINC001752741499 | CC[C@H](C)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1CC1(C)COC1 |
ZINC001222032025 | COC(=O)[C@@H]1CN(C(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)C[C@H]1c1ccc(O)cc1 |
ZINC001401210762 | Cc1cc(NC(=O)CNC[C@H](C)N(C)C(=O)[C@@H](C)n2cccn2)on1 |