zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC001018864226 | CC[C@@H](OC)C(=O)N1CC2(CCN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C2)C1 |
ZINC000110644719 | Cn1cc(/C=C/C(=O)Nc2cccc(F)c2C#N)cn1 |
ZINC000065020284 | Cc1ccc(CNC(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)cc1 |
ZINC001677580506 | O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)NC1(c2ccccc2)CCC1 |
ZINC000183250210 | CN(C)CCOc1cc(C(=O)N(C)Cc2ccc(Cl)c(F)c2)ccn1 |
ZINC000727640407 | C[C@H](OC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1cccc(C#N)c1 |
ZINC000632248732 | CC[C@@H](C)Cc1noc([C@@H]2CCc3n[nH]cc3C2)n1 |
ZINC000856851311 | O=C(NCCOC(F)(F)F)NCC[C@H]1CC1(Cl)Cl |
ZINC000233030084 | CCCCNc1nccn1[C@@H]1CCCC(C)(C)C1 |
ZINC001135563264 | CCN(CC)C(=O)Cc1cc(F)ccc1O |
ZINC000223458017 | N#C[C@H]1CCCCN1C(=O)[C@H]1CCc2ccccc2C1 |
ZINC001091129809 | C=CCC1(C(=O)N[C@@H]2CN(c3cnc(F)cn3)C[C@@H]2O)CCOCC1 |
ZINC000613454833 | Cc1nnc(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)n1C |
ZINC000690893286 | CC[C@H]1NCC[C@@H]1C(=O)N1CCN(c2nccs2)CC1 |
ZINC000916283181 | CCCOc1ccc(C=NNC(=S)NCc2ccc(OC)cc2)cc1OC |
ZINC000698794118 | COC[C@@H]1CC(=O)[C@H]([C@@H]2C[C@@H]2c2ccccc2)C1 |
ZINC000108404983 | CCCC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)C1 |
ZINC001096030717 | O=C(N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1F)c1nccc2[nH]ccc12 |
ZINC001484687855 | CO[C@H](C(=O)N1CCO[C@H](CNCC#Cc2ccccc2)C1)C(C)C |
ZINC001668621677 | C[C@@H]1CCC[C@H](CNC(=O)Nc2ccccc2CC(F)(F)F)[C@@H]1C |
ZINC000365620490 | COc1cccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 |
ZINC000040248865 | Cc1cc(C)c(C)c([C@@H](O)c2cccs2)c1C |
ZINC000668001462 | CCC(CC)[C@H](O)CNC(=O)Nc1ccc(N(C)S(=O)(=O)CC)cc1 |
ZINC001176634717 | O=C([C@@H]1CCc2nc(O)nc(O)c2C1)N1CCN2CCC1CC2 |
ZINC000228280509 | COCCNCCN(C)Cc1cc(C(F)(F)F)ccc1Br |
ZINC000551438870 | CC(C)(C)c1cc(-c2nc(-c3cc(OC(F)F)ccc3F)no2)no1 |
ZINC000582132604 | CNCCCC(=O)N(C)[C@H](C)c1nc(C)no1 |
ZINC001042320653 | Cn1nc(C(=O)N2CC[C@@H]3CCN(CCF)[C@@H]3C2)c2ccccc21 |
ZINC001437374750 | Cc1nonc1CN[C@H](C)CCNC(=O)c1c(F)cncc1F |
ZINC001468664855 | COc1ccc([C@H](Cc2ccccc2)NC(=O)CCOc2ccccc2F)cc1 |
ZINC000523334787 | CC(C)CO[C@@H](C)C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 |
ZINC000475659114 | C=C(C)[C@H](NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 |
ZINC000670991591 | CN1CCN(C[C@H](NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)c2ccccc2)CC1 |
ZINC001211920794 | CCOCCCC(=O)N[C@@H]1CN(Cc2cc(C)no2)C[C@H]1OC |
ZINC001044499071 | CCn1ncnc1CN[C@H]1CCN(C(=O)c2cnc(C)[nH]2)[C@@H](C)C1 |
ZINC000880230015 | Cn1cncc1CNC(=O)Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 |
ZINC001340389480 | CC(C)(C)CC(=O)N1CC=C(CCNC(=O)[C@@H]2CCC(=O)NC2)CC1 |
ZINC000457382665 | CN(CCCCNC(=O)NC1CCCCC1)C1CC1 |
ZINC001640144621 | C[C@@H](C(=O)NCC1(c2ccccc2)CC(O)(C(F)(F)F)C1)N1CCc2ccccc21 |
ZINC000300377756 | CCOC(=O)[C@H](CC)N[C@H]1C[C@H]1CC |
ZINC000531070450 | Cc1cc(N(C)C)ccc1NC(=O)Cn1nnnc1C(C)C |
ZINC000311018350 | CC(C)[C@H](CN)c1cncn1[C@@H]1[C@H]2CCCC[C@H]21 |
ZINC000035648740 | CCN(CC)CCCNCc1cccc([N+](=O)[O-])c1C |
ZINC000033479823 | COc1cccc([C@H]2N[C@@H](C(=O)O)CS2)c1OCc1c(Cl)cccc1Cl |
ZINC000771907138 | N#C[C@@H](c1ccccc1)c1ccc(N2C(=O)[C@H](Cc3ccccc3)N(C3CC3)C2=O)cc1 |
ZINC000188581685 | COc1cc(NS(=O)(=O)c2ccc(F)c(F)c2F)ccc1F |
ZINC001493686761 | C#CCNCCN(C)C(=O)[C@H](COC)OC |
ZINC001075911903 | O=C1NCCC[C@H]1C(=O)N1CC[C@H]2CN(Cc3nc(C(F)F)no3)C[C@H]21 |
ZINC000447335383 | C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)C(=O)NCc2cccnn2)cc1Cl |
ZINC000282635125 | COCC1(CNC(=O)NCCOc2cccc(F)c2)CCC1 |
ZINC000847240761 | Cc1ccc(C(N)=O)c(NC(=O)C2CCC(NC(=O)C(C)(C)C)CC2)c1 |
ZINC001122975709 | CCOC(=O)NCCOC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 |
ZINC000809437159 | CC[C@@H](C)Oc1cc(-c2noc(CC3CCC4(CC3)OCCO4)n2)ccn1 |
ZINC001099231219 | O=C(CN[C@@H]1CN(C(=O)C[C@H]2CCOC2)C[C@H]1C(F)(F)F)N1CCC1 |
ZINC001156212113 | C[C@H]1C[C@@H](NC(=O)c2cn3ccnc3cn2)c2ccccc21 |
ZINC001792991324 | C[C@@H](CBr)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(OCC(F)(F)F)c(F)c1)C2 |
ZINC001410059843 | Cc1cncc(CC(=O)N[C@@H]2CCC[C@H]2CNC(=O)CC2(C)CC2)c1 |
ZINC001441360670 | CC[C@H]1CC[C@H](C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)CC1 |
ZINC000096033636 | CC[C@H](CO)NCc1ccnn1CC |
ZINC000749732293 | C=CC[C@H](NC(=O)C(=O)Nc1ccc(C(=O)NCC)cc1)c1ccncc1 |
ZINC001420122390 | CC(C)CNC[C@H]1CCC[C@H]1NC(=O)C(C)(C)NS(C)(=O)=O |
ZINC000848912129 | COC(=O)/C=C\c1ccc(CN[C@H]2c3ccccc3CC23CCOCC3)o1 |
ZINC001813941392 | O=C(NC[C@H]1CCN(C(=O)CCCc2cccnc2)[C@H]1c1cccnc1)c1c(F)ccc(Cl)c1F |
ZINC000700956359 | CCc1cc(NC[C@]2(CO)CCCOC2)nc(Cl)n1 |
ZINC000849210874 | C[C@H](OC(=O)c1ccccc1CC#N)C(=O)Nc1ccc(S(N)(=O)=O)cc1 |
ZINC000795390007 | COc1cc(Cl)ccc1COC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O |
ZINC001349851894 | Cc1cncc(C(=O)NCCCNC(=O)c2c(C)ncn2C)c1 |
ZINC001301991506 | COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@@]3(CCCOC3)C2)n1C[C@H]1CCCO1 |
ZINC000553326489 | C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc(CCN(C)C)cc1 |
ZINC001088603804 | CCC(=O)Nc1cccc(C(=O)N[C@H]2CCN(C[C@@H](C)O)[C@@H]2C)c1 |
ZINC001064478799 | CC(C)[C@H](C)C(=O)N1[C@H]2CC[C@H]1CN(c1ncncc1Cl)CC2 |
ZINC000746926643 | C[C@H](OC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12)c1ccc(C(F)(F)F)cc1 |
ZINC000352894552 | CCc1ccccc1CN1C[C@H](C)[S@@](=O)[C@H](CC)C1 |
ZINC000922997725 | CN1C(=O)CCC[C@@H]1C(=O)O[C@H]1CCN(C2CCOCC2)C1=O |
ZINC001338847222 | CC/C(C)=C\C(=O)NC[C@H](NC(=O)C1[C@H]2CCC[C@@H]12)C(C)(C)C |
ZINC000834861162 | CC[C@@H](NCC1=CCOCC1)c1cccc(Cl)c1O |
ZINC001760118279 | C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1C[C@]1(O)CCc2ccccc21 |
ZINC000565662442 | CNC(=O)COc1ccc(NC(=O)C(=O)N[C@H]2CCc3cc(F)c(OC)cc32)c(C)c1 |
ZINC000632686392 | O=C(CCC1(O)CCC1)N1CCc2ncsc2C1 |
ZINC001272507963 | CCCCN1C[C@]2(CCN(C(=O)c3cc4ncccn4n3)C2)OCC1=O |
ZINC001053420959 | C/C=C(/C)C(=O)NC[C@@H]1CN(C(=O)c2ccc(F)cc2F)C[C@@H]1C |
ZINC001551858339 | O=C(CC1CC1)N1CC(n2cnc3ccccc3c2=O)C1 |
ZINC001769570565 | COCCC1(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN(C(C)(C)C)CC2)CCC1 |
ZINC001253906835 | O=S1(=O)CCC(Cc2cccnc2)(NC[C@@H](O)[C@@H](c2ccc(F)cc2F)n2cncn2)CC1 |
ZINC000847315881 | C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)NCCc1cccc(F)c1F |
ZINC000487778934 | COC(=O)c1cc2c(cc1NC(=O)C(=O)N[C@@H]1CCCN(C)[C@H]1C)OCO2 |
ZINC001326728845 | O=C(Nc1cnn(Cc2cccnc2)c1)N[C@H](C[C@H]1CCCO1)C(F)(F)F |
ZINC000962560735 | Cc1cc(F)ccc1C(=O)N1C[C@H](O)[C@H](NC(=O)Cc2cncnc2)C1 |
ZINC000720557525 | Cc1cc(Br)cnc1NC[C@@H](C)[C@H]1CCCO1 |
ZINC000621429768 | CC1CC(CNC(=O)N[C@H](C)CS(C)(=O)=O)C1 |
ZINC001234345479 | COC[C@H](C)OC[C@@H](C)Oc1ccccc1CCC(=O)OC |
ZINC001453577754 | CO[C@H](C)C(=O)N(CCNC(=O)[C@@H]1CCOC1)C1CCCCCC1 |
ZINC001390082340 | CCn1nc(C2CC2)cc1C(=O)N1CCC[C@@H](CNC[C@@H](C)OC)C1 |
ZINC001583282322 | CN1C(=O)COc2cccc(NC(=O)CCCOc3ccc4c(c3)CCCC4)c21 |
ZINC001836856464 | COCC1(C(=O)N2CCC(OC3CCN(C(=O)/C(C)=C/c4ccc(OC)cc4)CC3)CC2)CC1 |
ZINC001794332736 | COc1cc(OC)cc(C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(OC)s2)c1 |
ZINC001204960267 | O=C(NC1CCNCC1)c1ccc(-c2ccc3nonc3c2)cc1 |
ZINC001764924071 | CCc1nnc(N2CCN(CC(=O)N[C@H](C)CC)CC2)n1Cc1cccc(C(N)=O)c1 |
ZINC001654132906 | CCCc1ccc(CN(CCC)[C@@H](CC)C(=O)OCC)cc1 |
ZINC000801248060 | CCCC(=O)N1CCC[C@H]1C(=O)OC[C@@H](OC)c1ccc(Cl)cc1 |
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