zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000573233633 | C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[S@](=O)[C@H](C)c1nncn1C |
ZINC001179298231 | CCc1nc([C@@H](C)NCCCCCCNC(=O)c2nnn(C)n2)n[nH]1 |
ZINC000930500555 | COC[C@@H](CNC(=O)Nc1cscc1C)C(C)C |
ZINC001183024072 | CS(=O)(=O)N1CC(C(=O)Nc2cc(Br)cc3[nH]ncc23)C1 |
ZINC000867990733 | CC1(C)[C@@H](N)c2ccccc2N1C(=O)C(C)(C)S(C)(=O)=O |
ZINC001142423931 | O=C(NCc1ccccc1OCCN1CCOCC1)c1cc2c(nc1O)CCC[C@H]2O |
ZINC001765978065 | CCOc1ccc(-c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CC[C@@H]2CCCCO2)cc1OC |
ZINC001335061476 | Cc1nc(-c2ccc(NC(=O)c3cccc(C#N)c3C)cc2)co1 |
ZINC000814299302 | CCNS(=O)(=O)CCNC(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1 |
ZINC000470417002 | COc1ccccc1SCC(=O)N1CCC(Oc2ncccc2F)CC1 |
ZINC000697906444 | CC[C@@H](Nc1cnnc2ccccc12)C(=O)NC |
ZINC000271307975 | NC(=O)COc1cccc(C/N=C(\N)NC2CCCCCC2)c1 |
ZINC001061459989 | CC(C)(O)CC(=O)N1CCOC[C@@H]1CNC(=O)C[C@@H]1CCOC1 |
ZINC000073329299 | O=C(CCn1cncn1)Nc1nc(-c2ccc3c(c2)CCO3)cs1 |
ZINC001203572691 | CCOCCN[C@H]1C[C@@H](NC(=O)c2cccc(C(C)C)c2)C12CCC2 |
ZINC000119886959 | Cc1ccccc1[C@@H](C)NC(=O)NCC1(CO)COC1 |
ZINC001804185593 | C#CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](CC=C)NC(=O)OCc1ccccc1)C2 |
ZINC001099783725 | CC(C)(C)OCC(=O)N[C@@H]1CCN(C/C=C/Cl)C[C@@H]1O |
ZINC001230051634 | COC(=O)c1cc2cccc(O[C@H]3C[C@H]4C[C@@H]3CN4C(=O)OC(C)(C)C)c2cc1OC |
ZINC000429794524 | COC(=O)c1ccc(NC(=O)C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 |
ZINC001359664460 | CC(C)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCOCC1)c1cccnc1 |
ZINC001382332044 | COCCN1CC[C@]2(NC(=O)C[C@@H](C)SC)CCC[C@@H]12 |
ZINC000137398262 | CCOC(=O)C/C(N)=N/NC(C)=O |
ZINC001567637378 | C=CCCN(OCc1ccccc1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]21 |
ZINC000257977251 | N#CCc1cc(F)c(F)c(C(=O)O)c1 |
ZINC001642828300 | COc1cncc(N2CCN(C(=O)c3ccccc3SCc3cccs3)CC2)c1 |
ZINC001282531579 | C/C=C(/C)C(=O)NCC[C@@H]1CN(C(=O)Cc2ccc(C)s2)C[C@H]1C |
ZINC000640281964 | O=C(NC[C@@H](c1ccccc1)N1CCOCC1)Nc1cnc(C(F)(F)F)nc1 |
ZINC000396045467 | Nc1cc(OC(F)(F)F)cc(CCl)c1Br |
ZINC000944899853 | O=C(C#CC1CC1)N1CC2(CCN(C(=O)CCc3nc[nH]n3)CC2)C1 |
ZINC000339070450 | CCOc1ccc([C@@H](C)NCCC2(OC)CCC2)cc1OC |
ZINC001007129632 | Cc1cc(C)n(CCN2CCC[C@@H](NC(=O)c3cc(C)c(C)o3)C2)n1 |
ZINC001364455858 | CSC[C@@H](O)CN1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C |
ZINC001233431311 | CC(C)(C)OC(=O)n1ccc(CN2CCO[C@]3(CCC[C@H]3COCc3cccnc3)C2)c1 |
ZINC001199884912 | CC(C)(C)OC(=O)N1CCCC[C@H]1CNCc1cnn(C2CCC2)c1 |
ZINC000354369963 | Cc1noc(NC(=O)[C@H]2CCOc3ccc(Cl)cc32)c1C |
ZINC001769980488 | COc1ccc(-c2nnc(N(C)[C@H]3CCCc4c3cnn4C)n2C[C@H](OC)C(C)C)cc1 |
ZINC000433901954 | CC[C@H]1CN(C(=O)N=c2[nH]oc(-c3ccccc3F)c2C)CCN1CC(F)F |
ZINC000959994428 | CCc1[nH]ccc1C(=O)N1CCCC[C@H]1CNCC1CC(F)(F)C1 |
ZINC001282161311 | C=C/C(C)=C\CC(=O)N1CC2(CCN(C(=O)CCOC)CC2)C[C@@H]1C |
ZINC000750625902 | Cn1ccnc(N2CCN(C(=O)Nc3ccc([S@](=O)C(F)(F)F)cc3)CC2)c1=O |
ZINC000370232334 | NC(=O)[C@@H]1CN(C(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)C[C@H]1C(F)(F)F |
ZINC000352165238 | COc1ccc(-n2nnnc2SCc2cnn[nH]2)cc1 |
ZINC001310259472 | O=C(NCCc1ccccc1OCc1ccccc1)Nc1cnc(C2CC2)nc1 |
ZINC001047039797 | O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(C/C=C/Cl)C2)c1ccc(F)nc1 |
ZINC001829971586 | CCc1[nH]nc(C(=O)N2CCC([C@@H]3CCCCN3C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1F |
ZINC000573002053 | O=C(CSc1n[nH]c(O)n1)N1CC2(CCC2)c2cc(Br)ccc21 |
ZINC000707582800 | C[C@@](N)(Cc1cc(F)cc(F)c1)C[C@H]1CCCO1 |
ZINC001498627568 | CCc1nnc(N(C)CC)n1Cc1csc(CCc2ccccc2)n1 |
ZINC000577915532 | COC(=O)c1cc(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)c(C)cc1Br |
ZINC000488181545 | CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1ccccc1CS(=O)(=O)c1ccccc1 |
ZINC000425164575 | CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H](C)CC(F)F |
ZINC000575863962 | C[C@H]1COCCN1CCN=c1[nH]ccc2cc(F)ccc12 |
ZINC000507996396 | CC(C)(C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1)c1ccccc1[N+](=O)[O-] |
ZINC000922245863 | CSC1(CNC(=O)N2CCCc3n[nH]cc32)CC1 |
ZINC001589319953 | C[C@@H]1CCC[C@@]1(C)C(=O)Nc1cccc(CCC(=O)O)c1 |
ZINC000278156546 | COC(=O)c1coc([C@@H](C)NCCCCC#N)c1 |
ZINC001803952184 | C=CC[C@H](C)C(=O)N1CC[C@@H](CNC(=O)[C@]2(C)CCCN2C(=O)OC(C)(C)C)[C@H]1c1cccnc1 |
ZINC000518474750 | Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)Cc1ccn(-c2ccc(F)cc2)n1 |
ZINC001637951220 | C[C@H](CO)CCCNC(=O)C[C@@H](C)c1cnn(C)c1 |
ZINC001265837275 | CC[C@H](NC(=O)C(C)(C)c1cccc(C(F)(F)F)n1)[C@@H]1CN(Cc2ccccc2)CCO1 |
ZINC000982388036 | O=C(NC[C@H]1CCN(C(=O)CC2CCCC2)C1)c1cnco1 |
ZINC000298222966 | CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N[C@@H]2CCC[C@H](CO)C2)c1 |
ZINC001433002965 | Cc1nc(C(=O)NC[C@H](CC(C)C)NC(=O)C(F)F)c(C)o1 |
ZINC000508392645 | CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C |
ZINC001097040242 | O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCCOC1)c1sccc1F |
ZINC001414594257 | COC(=O)C[C@@H]1CN(C(=O)N[C@@H]2[C@@H](C)[C@H](OC)C2(C)C)C[C@H]1C |
ZINC001414910126 | CC[C@H](OC)C(=O)N1CCC[C@@H](CN(C)C(=O)Cc2cc[nH]n2)C1 |
ZINC000510005906 | C=CCNC(=O)c1ccc(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)cc1 |
ZINC000504265156 | O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccc(OCC(F)(F)F)c(Cl)c1 |
ZINC001764409304 | CCC1(Cn2c(-c3ccccn3)nnc2N2CCN(S(=O)(=O)CCOC(C)C)CC2)CCCC1 |
ZINC000838851871 | CC(C)(COC(=O)c1cc(Br)co1)S(C)(=O)=O |
ZINC000958643779 | C[C@@H]1CN(C(=O)[C@]23CCCC[C@H]2C3)C[C@H]1NC(=O)c1ccc2nccn2c1 |
ZINC001587450161 | Cc1cc(-n2cncn2)ccc1C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 |
ZINC000965105047 | C=C1CC(C)(C(=O)N2CCC[C@H](NC(=O)[C@H]3CCC(=O)N3C)CC2)C1 |
ZINC000177981782 | CC[C@H](C)CN(CC)C(=O)CSc1nnc(-c2cccs2)n1C |
ZINC001589912988 | C[C@H](NC(=O)C(=O)N[C@@H]1CCOC[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1 |
ZINC001759603564 | Cc1nnc(CC(=O)NC[C@@H](O)CNC(=O)C[C@H]2CC=CCC2)o1 |
ZINC000614399395 | CCC[C@@H](C(=O)N[C@@H](C)C(=O)N1CCCC1)c1ccc(Cl)cc1 |
ZINC000072278843 | Cn1cc(CN2CCCN(C(=O)c3ccccc3Cl)CC2)cn1 |
ZINC001756188317 | CC(C)[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2[nH]ccc2C2CC2)CC1(C)C |
ZINC001000577809 | C[C@@H]1CCO[C@@H]1C(=O)N1CC(NC(=O)Cc2cnc[nH]2)C1 |
ZINC000292091447 | Cn1cc(NC(=O)NC[C@]2(C)CCCc3ccccc32)c(C2CC2)n1 |
ZINC001520752955 | C[C@@H]1Nc2ccnn2[C@@H](C)[C@H]1CCC(=O)N1CCN(c2ncccc2C#N)CC1 |
ZINC001272521665 | C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)CNCc1ccc(CC)cc1 |
ZINC000262932697 | O=C(O)CC1(NC(=O)CN2CCCCCCC2=O)CCCC1 |
ZINC001268063848 | CCC(C)(C)CC(=O)N(C)[C@@H](C)CNCc1nc(C(C)C)ns1 |
ZINC000491940207 | CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)/C=C\c1ccncc1 |
ZINC001114775321 | C[C@H](C[C@@H]1CCCO1)C(=O)N[C@H]1C[C@H](CNc2nccnc2C#N)C1 |
ZINC000420424241 | Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2CN)c1C |
ZINC000266861052 | C[C@H](CCNC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)N(C)Cc1ccccc1 |
ZINC000980584470 | C[C@@H]1C[C@H](CNCC2CC2)CN1C(=O)Cn1cnc(C(N)=O)n1 |
ZINC000528603819 | Cc1ccccc1C[C@@H](C)C(=O)NC1CCN(C[C@H]2CCOC2)CC1 |
ZINC001591564701 | COc1ccc(-c2nn[nH]n2)cc1CSCCc1nn[nH]n1 |
ZINC001435116318 | COc1cccc(CNC(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)c1OC1CCCC1 |
ZINC001787517961 | O=C(Nc1ccc(C2(NC(=O)c3cc(F)cc(F)c3F)CCC2)cc1)c1nccs1 |
ZINC000634523870 | Cn1nccc1COCC(=O)N1CCC[C@H](C2CCC2)CC1 |
ZINC001737021589 | C=C[C@@H](C(=O)N1CC[C@@H](N(C)C(=O)CNC(N)=O)C1)c1ccccc1 |
ZINC000780589596 | CCOC(=O)N1CCC(NCc2ncn(Cc3cccc(F)c3)n2)CC1 |
ZINC001748741322 | COc1ccc(CCn2c(-c3ccccn3)nnc2N(C)C[C@@H](C)C#N)cc1F |
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