zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000330186134 | O=C1CCC[C@H]1[C@H]1CCCN1C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1 |
ZINC001835625308 | O=C(NC1CCN(C2CCN(C(=O)C(O)O)CC2)CC1)c1ccc2c(c1)CNC2=O |
ZINC001687765828 | CCN(CCCNC(=O)[C@H]1CC[C@@H](F)C1)C(=O)CCc1ccccc1 |
ZINC000691859737 | CC1([C@H]2C[C@@H](O)CO2)CCCCCC1 |
ZINC001733395815 | C=CCOCC(=O)N[C@@]1(C)CCN([C@@H](C)c2nc(COC)no2)C1 |
ZINC001207286650 | Cc1cc(C(=O)N2CCC[C@@H](NCCCO)C2)on1 |
ZINC000812376132 | COCC1(C(=O)N[C@@H](CO)C2CCCC2)CCN(C(=O)OC(C)(C)C)CC1 |
ZINC001555564309 | COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 |
ZINC001397985084 | CCO[C@@H](C(=O)NCCN(C)C(=O)c1ncccn1)[C@@H]1CCOC1 |
ZINC000520716171 | Cc1ccccc1CN(Cc1cccnc1)C(=O)NCCn1c(=O)oc2ccccc21 |
ZINC000376417709 | CC(=O)N1CCC[C@H](C(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)C1 |
ZINC001624468824 | COc1cc(C)cc(C(=O)Nc2ccc3c(c2)nc(C(F)(F)F)n3[C@H](C)CCO)c1O |
ZINC001270350250 | CCc1ccccc1C(=O)N1[C@@H]2C[C@@H](F)[C@H](C2)[C@@H]1C(=O)N(C)C |
ZINC000049497002 | COC(=O)[C@H](C)NC(=O)c1ccnn1C |
ZINC000855657657 | O=C(N[C@H]1COC2(CCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] |
ZINC000318940053 | CC[C@@H](C)[C@@H](C)C1(O)CC(C)(C)CC(C)(C)C1 |
ZINC000920420818 | CC(C)C#CC(=O)N(C)Cc1cscc1Br |
ZINC000853607328 | CC1C[C@@H]2CC[C@H](C1)N2Cn1nc(C(F)F)n(C)c1=S |
ZINC000177689523 | CC1(C)C(=O)N(CN2CCO[C@@H](Cn3cccn3)C2)C1(C)C |
ZINC000939786993 | C[C@@H]1CN(C(=O)c2ccc(C3CC3)cc2)C[C@H]1NCc1nccn1C |
ZINC001781823109 | COc1ccc(F)c(C(=O)N2CC[C@]3(CN(C(=O)/C=C/c4cc(C)on4)CCO3)C2)c1OC |
ZINC000072474014 | CCn1nc(C)c([C@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1C |
ZINC001614567511 | CCCCOc1ncccc1Cn1c(-c2ccccn2)nnc1N1CCN(CC)[C@@H](C)C1 |
ZINC001801504349 | C[C@H]1CC[C@H](C(=O)N[C@@H]2[C@H]3COC[C@@H]2CN(C(=O)c2cc4ccc(Cl)cc4nn2)C3)CC1 |
ZINC000340999916 | NC(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F |
ZINC000530139914 | Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1C[C@H](C(=O)O)Oc2ccccc21 |
ZINC001347682553 | CC(=O)N1Cc2ccc(NC(=O)N[C@H](C)[C@H]3CN(C)CCN3C)cc2C1 |
ZINC000484422909 | CC(C)[C@@H](CC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1)c1ccccc1 |
ZINC001156913693 | CC[C@@H](CC1CCCC1)C(=O)Nc1ccc2[nH]c(C)cc(=O)c2c1 |
ZINC000816407485 | CCn1nc(C)c(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)n1 |
ZINC000720461024 | CNC1(C(=O)N2CCN(c3ncc(Br)cn3)CC2)CC1 |
ZINC000856281535 | CN(C)C(=O)C1CCC(C(=O)Nc2ccnn2C(C)(C)C)CC1 |
ZINC001640677607 | CNC(=O)NC[C@H]1CN(C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)CCO1 |
ZINC000573521158 | CN(C)[C@@H](CNC(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)c1ccc(Cl)cc1 |
ZINC000749201169 | CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)OCC[C@@H]1CCCO1)O[C@@H](C)C2 |
ZINC001109690648 | CC(C)c1noc([C@@H](C)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CC(C)(F)F)n1 |
ZINC001693998412 | CC[C@@H](C)c1nnc(N(C)Cc2ccccc2)n1CCc1nccc(C(F)(F)F)n1 |
ZINC000180744516 | C[C@@H](CNC(=O)N1C[C@H](C)O[C@H](C)C1)Oc1ccccc1Br |
ZINC000051985664 | C[C@H]1C[C@@H]1C(=O)NCCS(=O)(=O)N1CCOCC1 |
ZINC000663103909 | C[C@H]1CCCCN1Cc1ccccc1CNC(=O)[C@@H](C(=O)O)C(C)(C)C |
ZINC001413051350 | O=C1CN(Cc2ccc3cnccc3c2)C2(CN1)COC2 |
ZINC001489068544 | CCC(C)(C)CC(=O)NCCC1(CNC(=O)[C@@H]2[C@H]3COC[C@H]32)CC1 |
ZINC000796741251 | O=C(OC1CCCCC1)c1cn2ccc(Br)cc2n1 |
ZINC001403071276 | Cc1cnc(CN[C@@H](C)CNC(=O)c2ccc(CN(C)C)cc2)cn1 |
ZINC000123465131 | CC[C@@H](O)CN1CCN(Cc2ccc(-c3ccccc3)o2)CC1 |
ZINC000432491973 | C[C@H]1[C@@H](C)OCCN1C(=O)NCc1ccc(Br)cc1N1CCOCC1 |
ZINC001299071031 | CC[C@H](CC(=O)NC[C@H]1CCN1C(=O)c1occc1Cl)C(C)C |
ZINC001464601737 | Cn1ccnc1Sc1ccccc1NC(=O)CNC(=O)c1cccc(Br)c1 |
ZINC001110754153 | C=CCCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCc1ccc(OC)cc1 |
ZINC000902180838 | CCOc1cc(C(=O)OC)ccc1NCc1noc(-c2cncc(C)c2)n1 |
ZINC000975850510 | CC(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)C[C@@H]21 |
ZINC000087597428 | CC(C)(C#N)CCCNCCC1CCCCC1 |
ZINC001806533561 | CCS(=O)(=O)CC(=O)N1CC[C@@H](CNC(=O)Cc2ccccc2Cl)[C@@H]1c1cccnc1 |
ZINC001479607732 | CCN(CC)CC[C@@H](C)NC(=O)N(CC(C)(C)C)CC(C)(C)C |
ZINC001751040078 | CC(C)OC[C@@H]1CN(c2nnc(Cc3cccnc3)n2Cc2nc(C(C)C)cs2)CCO1 |
ZINC000344599884 | N#Cc1cccc(C(=O)N[C@H]2CCCc3sc(Cl)cc32)c1 |
ZINC000985647143 | CN(Cc1ncnn1C)C1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)CC1 |
ZINC000450099323 | CCC(CC)Oc1ccc(C(=O)N2CCN(C)c3ncccc32)cc1 |
ZINC001624974373 | Cn1nc(C2CC2)cc1NC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 |
ZINC001502641247 | CCO[C@]1(c2nnc(N(C)Cc3cnn(C)c3)n2CC2(SC)CCOCC2)CCOC1 |
ZINC000714608895 | NC[C@H](c1ccc(F)cc1Br)N1C[C@H](F)[C@H](F)C1 |
ZINC000416758896 | CC(C)C[C@H]1COCCN1C(=O)N[C@@H]1CCN(CC(F)F)C1 |
ZINC001079091928 | C#Cc1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@@H](NCC2=CCCCC2)C3)cn1 |
ZINC001587703196 | Cc1ccc(C)n1-c1sccc1C(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 |
ZINC001613615884 | CC[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCC[C@@H](C(N)=O)C1)N1CCCC1 |
ZINC000726107796 | CCn1cc(N=C2S[C@@H](CC(=O)Nc3ccc(C(=O)O)cc3)C(=O)N2C[C@H](C)COC)cn1 |
ZINC000592941283 | CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)Cn2ccc(=O)c3ccccc32)C1 |
ZINC000811601047 | CC(C)N(C)C[C@H](C)NC(=O)c1ccc(C(N)=O)c(Cl)n1 |
ZINC001556190093 | CCCOc1ccc(C(=O)Nc2cc3c[nH]nc3cc2C)c(OC(C)C)c1 |
ZINC001562367631 | CCOC[C@H]1CCCCN1C(=O)Nc1cccc(Cl)c1OC(C)C |
ZINC001366407394 | CCn1ncnc1CN[C@H]1CCC[C@@H](NC(=O)CC(C)(C)C)C1 |
ZINC001726211617 | CCCCCC(=O)N[C@H]1C[C@H](CNC(=O)C2[C@@H]3CCC[C@@H]23)C1 |
ZINC000968403149 | COc1ncc(CN[C@@H]2CCN(C(=O)C(F)=C3CCCC3)C2)c(C)n1 |
ZINC001307772432 | CO[C@@H]1C[C@@H](N(C)Cc2c(F)cccc2Cl)C12CCC2 |
ZINC000559868569 | CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)C1=O |
ZINC000591781279 | COCCOc1ncccc1NC(=O)C[C@H](NC(=O)c1ccc(C)cc1)c1ccccc1 |
ZINC000633771339 | O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N[C@H]1CCCC12CC2 |
ZINC001433783660 | CC[C@H](F)C(=O)NC[C@H]1CCN1C(=O)CCS(=O)(=O)N(C)C |
ZINC001291198838 | C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2CC2)CCN1CC(F)(F)F |
ZINC000334436376 | Cc1cscc1CNC(=O)c1cc(C#N)ccn1 |
ZINC001170898490 | NCCC[C@@H](N)Nc1ccc([C@H]2CC3(CNC3)C(=O)N2)cc1 |
ZINC000851613363 | O=C([C@@H]1CCCOC1)N1CC2(CCC2)[C@@](F)(C(=O)O)C1 |
ZINC000982727738 | CCCCN1C[C@@]2(C)CN(C(=O)C3CC4(CCOCC4)C3)C[C@@]2(C)C1 |
ZINC001368558618 | CN(CCCN(C)C(=O)C1CC2(CC2)C1)CCn1cncn1 |
ZINC001112602050 | CCOCC(=O)N1CCN(CC(=O)NC(=O)Nc2ccccc2)CC1 |
ZINC000420037380 | C[C@@H]1C(=O)N(CCC2CC(F)(F)C2)C(=O)N1C1CCC1 |
ZINC001735292225 | Cc1ccc(C)c(C(=O)NC[C@@H](CO)NC(=O)[C@@H]2C[C@H]2c2ccnn2C)c1 |
ZINC001603140227 | C[C@H](C(=O)N1CCC(C(=O)O)CC1)N1C[C@@H](O)[C@H](CO)C1 |
ZINC000328737567 | CC(C)(C)c1nnc(C/N=C(/O)c2coc(C3CCOCC3)n2)s1 |
ZINC000264706687 | CC(C)Oc1ccc(C(=O)N(C)CCCN2CCN(C)CC2)cn1 |
ZINC000914241665 | O=S(=O)(Cc1cccc(Cl)c1Br)N1CC[C@@]2(CCOC2)C1 |
ZINC001565979957 | CCCC[C@H](NC(N)=O)C(=O)N1CC[C@@H](C)C[C@H]1CNCc1ccon1 |
ZINC001026718703 | Cn1[nH]c(CNC[C@H]2CCN(C(=O)[C@H]3CCOC3)C2)nc1=O |
ZINC001577131552 | CC[C@@H](N)Cn1c(-c2ccccc2F)nnc1N1CCN(c2cccnn2)CC1 |
ZINC000788204329 | COc1ccc(C(=O)OCc2c(C)noc2C)c(OCC2CC2)c1 |
ZINC001523839062 | CCN(CCCNC(=O)CC(C)(C)C)C(=O)[C@@H]1CCCN1C(C)=O |
ZINC001557653094 | O=C(c1cccc2ccncc12)N1CCC[C@H](C2CCCCC2)C1 |
ZINC000512548565 | CCc1cc(=O)c2cc(NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)ccc2[nH]1 |
ZINC000700223338 | CC[C@@H](N)Cc1csc([C@@H]2COCCN2C)n1 |
ZINC001541247601 | CC(C)(O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 |