zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC001590944646 | CCn1c(-c2cnc(C)c(-c3nn[nH]n3)c2)nnc1N1CCC(=O)N(C)CC1 |
ZINC001012106546 | Cc1c(C(=O)N2CCN(C(=O)[C@@H]3CCO[C@H]3C)CC2)ccn1C(C)C |
ZINC001505024792 | COCCO[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2[C@@H]2C[C@H]2C)C1 |
ZINC000282837212 | CON(CC1CCOCC1)C(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 |
ZINC001411983636 | CCC[C@@H](OCC)C(=O)N[C@@H](C)C1CN(C(=O)Cc2ccccc2)C1 |
ZINC000508478840 | C=CCn1c(CCc2ccco2)nnc1N1CCC(C(=O)NCCC)CC1 |
ZINC000698692676 | CC(C)n1nnnc1C[C@@H](N)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C |
ZINC000761540945 | C[C@H](OC(=O)c1cccc([C@@H]2CCOC2)c1)C(=O)NC(=O)NCC(F)(F)F |
ZINC000998787096 | CCc1ocnc1C(=O)N1CCC[C@H](NCc2nonc2C)C1 |
ZINC000254406711 | CCN(CC)S(=O)(=O)c1ccc(N2Cc3ccccc3C2=NC(=O)COc2cccc(C)c2)cc1 |
ZINC000590898539 | C=CCCOCC(=O)N(CC)[C@@H]1CCSc2ccc(Br)cc21 |
ZINC001112099574 | CC/C=C\CCN[C@@H]1CN(C(=O)C#CC(C)C)C[C@H]1C(F)(F)F |
ZINC000402021779 | CCCc1cnn(-c2cccc(NCC)c2[N+](=O)[O-])c1 |
ZINC001712824942 | CSCCCn1c(-c2cccnc2)nnc1N1CCCC[C@H](C)C1 |
ZINC001254343888 | O=S1(=O)CC[C@@H](N2Cc3ccnn3CC[C@@H]2CO)C1 |
ZINC000833091834 | O=C(C1=COCCC1)N1CC[C@@](F)(C(=O)O)C1 |
ZINC000636044260 | Cc1ccnc([C@@H](C)NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)n1 |
ZINC001647728300 | O=C(NC[C@H]1CCN1C1CCOCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 |
ZINC000171773330 | Cc1csc(CCCNC(=O)c2n[nH]c3ccc(Br)cc23)n1 |
ZINC001505321957 | N#CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCC[C@H](O)C2)CC1 |
ZINC000421575499 | CCc1c(C(=O)N2CCc3c(F)ccc(F)c32)nnn1Cc1ccccc1 |
ZINC000815902438 | CO[C@H]1CCC[C@H](C(=O)Oc2cccc(C)c2C)C1 |
ZINC001270796891 | CC(C)CCCC(=O)N1CC[C@@](C)(CNCC#N)C1 |
ZINC001468206343 | COc1ccc2cc(CN(C)C(=O)N[C@H](C)CN3C[C@@H](C)C[C@H](C)C3)ccc2c1 |
ZINC000765123978 | COc1cccc([C@H](O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1 |
ZINC001575414464 | C#CCN1CCC[C@H]1C(=O)NCCNC(=O)c1cc(Cl)n(C)n1 |
ZINC001462275007 | C#C[C@H](NC[C@@H](C)C1CCCCC1)c1ccc(F)cc1 |
ZINC001152830211 | O=C(N[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]21)c1cc([N+](=O)[O-])ccc1O |
ZINC000773894179 | C[C@@H](C(=O)NO[C@H]1CCCCO1)c1ccccn1 |
ZINC000225796681 | O=C1C[C@H](Cc2ccccc2)N1CO |
ZINC001379305173 | COC(=O)NCC(=O)N1CC(N(C)C(=O)c2ccc(C#N)[nH]2)C1 |
ZINC000844443045 | COc1ccc(Cl)c2c1CCC[C@H]2N(C)CCO[C@H](C)C#N |
ZINC001174393378 | CCOC(=O)c1cn2cc(NC3=CCCN(Cc4ccccc4)C3)ccc2n1 |
ZINC001211697487 | CC(C)c1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 |
ZINC000054560364 | CCC(CC)N(CCO)C[C@H]1C[C@H](C(C)C)CC[C@@H]1NC |
ZINC000867160848 | Cc1cccc(Cc2noc(CC3OCCCO3)n2)c1F |
ZINC001388296984 | CC(=O)N1CCC(CCNC(=O)c2cc3cccc(F)c3o2)CC1 |
ZINC001117157015 | O=C(NC1CCSCC1)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 |
ZINC000407520556 | CC(C)(CC[C@@H](N)c1ccc2c(c1)OCC2)NC(=O)OC(C)(C)C |
ZINC000714366588 | CC1(C)CCC[C@H](COc2ccc(CC#N)cc2)O1 |
ZINC000016693872 | CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(Cl)c(C(=O)O)c1 |
ZINC000264192429 | CCN(C)Cc1cccc(CNS(=O)(=O)N2CCCC2)c1 |
ZINC000411302195 | CC[C@H](C)[C@@H](NC(=O)C(=O)NCC1(CCOC)CCC1)C(F)(F)F |
ZINC000949059235 | Cc1ccnc(C(C)(C)C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC34CCC4)C[C@H]2C)c1 |
ZINC001843010811 | Cc1ncoc1C(=O)N1CC2(CCCN2C(=O)c2ccc(B(O)O)cc2)C1 |
ZINC001568023330 | CN1CC[C@H](C(=O)N[C@](C)(CNCC(=O)NCC#N)C2CC2)CC1=O |
ZINC000455336878 | Cc1ncsc1CCNC(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 |
ZINC000549846710 | Cc1cc(F)ccc1CN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCO1 |
ZINC000865114892 | COc1ccccc1CC1CCN(C(=O)/C=C/COC2CCOCC2)CC1 |
ZINC001051058363 | C[C@@H](NC(=O)CCC(F)F)[C@H]1CCN(C(=O)C2CCN(C)CC2)C1 |
ZINC000471484097 | COC[C@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)c1ccco1 |
ZINC001417383981 | COC[C@@H](C)C(=O)NC[C@]1(C)CCN(C(=O)c2ccoc2C2CC2)C1 |
ZINC000469964854 | CS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2OCc2ccccc2)s1 |
ZINC001261748476 | Cc1cnn(C)c1NC(=O)[C@H]1CCC(=O)NC1 |
ZINC000405502082 | N[C@@H]1C[C@@H](CCC[C@@H]2CCCO2)C12CCC2 |
ZINC001016223178 | COc1cc(C(=O)NC2CC(N(C)C(=O)c3ccoc3C)C2)on1 |
ZINC000774504865 | CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCCNC(=O)c1ccc(Cl)cc1 |
ZINC000759026044 | CC(C)Cn1ncc(C(=O)OCCCO)c1-c1ccccc1 |
ZINC001242326830 | CC1(C)CC=C(c2cnc3cc[nH]c3n2)CC1 |
ZINC000921150994 | COCCS(=O)(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1 |
ZINC000944366985 | CO[C@@H]1CN(C(=O)c2ccn3nnnc3c2)C[C@H]1NC(=O)c1[nH]nnc1C |
ZINC001459722158 | COC(=O)c1cccc2c1CCCN2CCCc1scnc1C |
ZINC001750808309 | CC(C)CCOCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCOC[C@@H]1C |
ZINC001082898374 | C[C@@H]1CN(C(=O)c2cc3ccccc3oc2=O)C[C@H]1NCc1ccon1 |
ZINC001119131057 | CS[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2cc3c(nc2O)CCCC3)C1 |
ZINC000482084715 | O=C(N=c1cc2ccc(Br)cn2[nH]1)N[C@@H](c1cccnc1)C1CC1 |
ZINC001113004381 | Cc1ccc(C(=O)N[C@H](C)[C@H](C)Nc2cc(C)nc(C)n2)nn1 |
ZINC001375244895 | CC[C@H](CNC(=O)c1nocc1C)NC(=O)c1ncc2n1CCCC2 |
ZINC000885612708 | C[C-]1C#CC(OC2CC2)=C(C(=O)O)N1 |
ZINC000997859790 | Cc1cocc1C(=O)NC1CN(C(=O)c2ccc3cncn3c2C)C1 |
ZINC001208321802 | C#CCC1(C(=O)N2CCC[C@H](NCC(=O)N[C@@H](C)C3CC3)C2)CCC1 |
ZINC000580993445 | O=C(C1CC1)C1(C(=O)N2Cc3ccc(O)cc3C3(CC3)C2)CC1 |
ZINC000418377618 | O=C(N[C@@H]1CCCNC1)N1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 |
ZINC001006330125 | C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)C1CN(C(=O)CC2CCCC2)C1 |
ZINC001322136487 | c1cc(CN2CCCC2)cc(-c2nnc(Cn3cnc4ccccc43)o2)c1 |
ZINC000398579621 | CC[C@H](Br)CCCNC(=O)c1c[nH]nc1C |
ZINC001298694392 | CCC1(C(=O)N[C@H](C)CNC(=O)[C@H](F)Cc2ccccc2)CCCC1 |
ZINC001782114260 | Cc1nc(C(=O)N2CCO[C@]3(CCN(C(=O)c4ccc(-c5ccc(O)nn5)cc4)C3)C2)c(=O)[nH]c1C |
ZINC000799296850 | COc1ccc(C(=O)N2CCN(C[C@@H](O)c3ccc(F)cn3)CC2)c(OC)c1 |
ZINC000120332419 | Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2C)cc1 |
ZINC000967392969 | Cc1ccc2[nH]cc(C(=O)N[C@@H]3CN(C(=O)c4nnn(C)n4)C[C@@H]3O)c2c1 |
ZINC001159563862 | COC(=O)c1cc(Br)c(O)c(Nc2ccc(N3CCNCC3)cc2)c1 |
ZINC000506609092 | CC(=O)c1cc(Br)ccc1OCC(=O)NCc1ccnc(N2CCCCC2)c1 |
ZINC000992644646 | Cc1ccn(CC(=O)N2C[C@@H]3CN(C(=O)c4cc(C)[nH]n4)C[C@]3(C)C2)n1 |
ZINC001355937816 | CC(C)[C@@H]1C[C@H](Cn2nnnc2N2CCC[C@@H](C3CCOCC3)C2)CCO1 |
ZINC001134627128 | C=C(C)c1cccc(NC(=O)/C=C(/C)Cc2ccccc2OC)c1 |
ZINC001063859732 | Cc1ccc(C(=O)N2CCC[C@H]([C@@H](C)N=c3cc[nH]c(C#N)n3)C2)o1 |
ZINC001038245698 | CC(C)Cc1ncc(C(=O)NC[C@H]2CCN2CC2CC(F)(F)C2)[nH]1 |
ZINC000716232793 | C[C@@H](NC1CC(OCc2ccccc2)C1)c1ncon1 |
ZINC001008508681 | NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2CCCN(CCN3C(=O)CCC3=O)C2)O1 |
ZINC001337243546 | CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N2CC[C@@H](N3CCC3)[C@@H](F)C2)C1 |
ZINC001069102116 | CCc1nsc(N[C@@H]2C[C@H](C)N(C(=O)c3cc(C)n(C)c3C)C2)n1 |
ZINC000818111691 | CCN(CC)Cc1csc(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)n1 |
ZINC000936963207 | CCc1ocnc1C(=O)N1CC[C@H](N(C)C(=O)C2=CCCC2)C1 |
ZINC000984819051 | Cc1ccn(CC(=O)N[C@H]2C[C@H](CN[C@H](C)c3ccccc3C)C2)n1 |
ZINC000154137938 | COC[C@@H](C)C(=O)O[C@@H](C)CC(C)C |
ZINC000093071625 | CCCNC[C@@H](C)[C@H](C)n1cc(C(F)(F)F)cn1 |
ZINC000047033618 | N#Cc1ccc(OCC(=O)NNC(=O)NCc2cccc(S(N)(=O)=O)c2)cc1 |
ZINC000282698950 | Cc1nc(-c2cccc(NC(=O)N[C@@H](C)C(=O)NCCF)c2)n[nH]1 |
ZINC000888093509 | O=C(CN1CCCC[C@H](O)C1=O)N1CCO[C@H](COCC2CC2)C1 |
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