zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000007305252 | C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1cccc(Cl)c1 |
ZINC001375931129 | C[C@@H](O)CCCN1CCC[C@](C)(CNC(=O)C(C)(F)F)C1 |
ZINC000423270004 | CC(C)C[C@@H](CN)N[C@H](C)c1ccc(C#N)cc1F |
ZINC001305704615 | CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1)N(C)C |
ZINC000659419368 | O=C(NC1CCN(C(=O)NCC2(C(=O)O)CCC2)CC1)C1CC1 |
ZINC001453342681 | CCOC(=O)c1ccc(NC(=O)[C@@H](C)CS(C)(=O)=O)c(NC(C)C)c1 |
ZINC001728764979 | CCO[C@]1(c2nnc(N(C)Cc3ccccc3O)n2CCCc2cnn(C)c2)CCOC1 |
ZINC001653319695 | CC(C)[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1 |
ZINC001189024601 | COC(=O)c1cccc2ncc(NC(=O)Nc3cccc(F)c3C)n12 |
ZINC000732584383 | Cc1cccc2nc(COC(=O)[C@@H](C)Cc3ccccc3)cn12 |
ZINC000954772365 | C=C[C@@H]1OCC[C@H]1C(=O)N(C)C1CCN(C(=O)c2coc(C)n2)CC1 |
ZINC001062998384 | O=C(NC1(CNC(=O)[C@H]2CCC[C@@H](F)C2)CCC1)C1CC1 |
ZINC001400067762 | C[C@H](CNC(=O)CCc1ccncn1)NC(=O)[C@H](C)C#N |
ZINC001068564956 | COc1cc(C)nc(NC[C@H]2C[C@H](NC(=O)c3c(C)cnn3C)C2)n1 |
ZINC000863005403 | CN1C(=O)c2ccccc2[C@H]1CNC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 |
ZINC001560885576 | CC1(C)[C@@H](Oc2ccccc2)C[C@H]1NC[C@@H]1CCC[C@@H]1C1CC1 |
ZINC000759536045 | N#CCOc1ccc(COC(=O)c2cc(F)c(O)c(F)c2)cc1 |
ZINC000539548066 | Cc1cc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)nn1C1CCCCC1 |
ZINC001446745129 | CCOCC1(C(=O)N2CCC(NC(=O)c3cc(C)no3)CC2)CC1 |
ZINC000833056054 | Cn1cc(S(=O)(=O)Oc2ccc(F)cc2F)cc1C(=O)O |
ZINC000871086779 | C[C@@H](CC1CCC1)NC(=O)c1cc(S(C)(=O)=O)ccc1Br |
ZINC001838510199 | CS(=O)(=O)CCC(=O)N1CCC(OC2CCN(C(=O)c3nccnc3C(N)=O)CC2)CC1 |
ZINC001722289706 | C#C[C@H](C)N(C)c1nnc(CC(C)(C)C)n1Cc1ccccc1C1OCCO1 |
ZINC001400056349 | CN(CCN[C@@H]1CCCN(CC(C)(C)C)C1=O)C(=O)c1cnco1 |
ZINC001317275166 | COc1ccc(CN[C@H](C)CNC(=O)[C@H]2CC23CCCC3)cc1C |
ZINC000725726759 | O=C([C@H]1CCCN(Cc2ccccc2)C1)N1CCO[C@@H](c2ccccc2Br)C1 |
ZINC001530586334 | Cc1ccc(Br)c(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc23)n1 |
ZINC001392949025 | C[C@H]1CC[C@H](CNC2(CNC(=O)C(C)(C)c3cnc[nH]3)CC2)O1 |
ZINC001698499532 | NC(=O)[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCS(=O)(=O)C2)C1 |
ZINC000795640017 | C[C@H](O)CCCOC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 |
ZINC000945644408 | C[C@@H](NC(=O)c1ccccn1)[C@@H]1CCCN(C(=O)C2(C3CC3)CC2)C1 |
ZINC001443427114 | CCC(CC)NC(=O)[C@@H](C)N1CCC[C@H](NC(=O)[C@H](C)OC)C1 |
ZINC001139025527 | FC1(F)C[C@H]2CN(Cc3n[nH]cc3Br)CCN2C1 |
ZINC000576067351 | CC[C@H](CN(CC)C(=O)C(=O)N[C@H]1CCOC2(CCCC2)C1)c1ccccc1 |
ZINC000826403156 | O=C(/C=C/c1ccsc1)OCc1ccc(-c2nn[nH]n2)cc1Br |
ZINC000377641628 | CNC(=O)CN1CCC(NC(=O)N2CCCC[C@@H]2CN2CCCC2=O)CC1 |
ZINC000545593719 | Nc1nc(Cc2noc(CSc3ccc([N+](=O)[O-])cc3)n2)[nH]c(=Nc2ccccc2)n1 |
ZINC000531604746 | C[C@H](N[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1cn(-c2ccccc2)nn1 |
ZINC000269427707 | COc1ccc(Cl)cc1NC(=O)CCN[C@H](C)c1csc(C)n1 |
ZINC000236907134 | CC[C@H](C)N(CC(=O)O)C(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 |
ZINC001501883177 | COc1cc(CCC(=O)NC/C=C/CNC(=O)c2cc[nH]c2)on1 |
ZINC001065005693 | CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1CNc1nc(C)cc(OC)n1 |
ZINC000752895883 | O=C(/C=C\C(=O)N[C@H]1COc2ccc(F)cc2C1)Nc1ccc2n[nH]cc2c1 |
ZINC001483046514 | C[C@H](NC(=O)CNC/C=C/CNC(=O)[C@H]1CCC1(C)C)c1ccco1 |
ZINC000776978671 | CN(C)CC(=O)Nc1ccc(NC(=O)CCOC2CN(C(=O)OC(C)(C)C)C2)cc1 |
ZINC001235464859 | COc1cncc(CN2CCC3(CC2)C[C@H](OCc2cccnc2)CO3)c1C |
ZINC001363449465 | COC(=O)c1coc(C(=O)N[C@H](C)c2noc(C(F)(F)F)n2)c1 |
ZINC000634048885 | Cc1ncc([C@H](C)NC(=O)c2ccc(C3CC3)cn2)s1 |
ZINC000063859293 | Cc1cc(Nc2cccc(COC(C)C)c2)n2nc(C(F)(F)F)nc2n1 |
ZINC001712340733 | COCCC1(Cn2c(Cc3csc(C)n3)nnc2N2CCC(F)(F)CC2)CCC1 |
ZINC001610457255 | Cc1cc(C)cc([C@H](C)NC(=O)N2CC[C@H](C(=O)O)[C@H]2C)c1 |
ZINC001454464174 | CCCCC(=O)N1CCC[C@H]([C@@H](C)NC(=O)Cn2cncc2C)C1 |
ZINC000692050731 | Cc1cc([C@H](O)Cc2sc(C)nc2C)n(C)n1 |
ZINC001581598575 | Cc1nn(C)cc1C(=O)NC[C@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F |
ZINC001790158254 | COc1ccc(F)c(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)[C@@H](C)O)C[C@@H]32)c1OC |
ZINC000796267687 | CCCc1[nH]nc(C(=O)O[C@@H](C(=O)N2CCC[C@H](C(N)=O)C2)C(C)C)c1[N+](=O)[O-] |
ZINC000227655990 | CC(C)N(CCN[C@H]1C[C@@H](C)N(C2CC2)C1)C(=O)OC(C)(C)C |
ZINC001576089710 | Cc1ccc(C(=O)NCCCNC(=O)CN2CC[C@@H](C)C2)c(O)n1 |
ZINC000259184833 | Cc1ccc(OC(=O)NCCCO)cc1 |
ZINC001546312709 | CCOC(=O)[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C1CCOCC1 |
ZINC001382475029 | Cc1cnoc1C(=O)N[C@H](CO)CNC(=O)[C@H](C)CS(C)(=O)=O |
ZINC001835802766 | O=C(Nc1cccnc1)C(=O)NC1CCN(C2CCN(C(=O)Cc3cccs3)CC2)CC1 |
ZINC000767545938 | COc1ccc2cc(/C=C/C(=O)OCC3(CS(C)(=O)=O)CC3)ccc2c1 |
ZINC001274162928 | C[C@@H]1CN(C(=O)C2CC2)C[C@@H]1NCCCNC(=O)C(F)(F)F |
ZINC000678712128 | O=C(Nc1cccc(C(=O)N2CCSCC2)c1)C(=O)N1CCC[C@H](C[C@@H]2CCOC2)C1 |
ZINC000971252601 | C[C@@H](c1ccccc1)N(C)[C@@H]1CCN(C(=O)C2CC=CC2)C1 |
ZINC000558470453 | COc1cc(CCNC(=O)COc2cccc(N3CCCC3)c2)ccc1OC(F)F |
ZINC001412789473 | CC(=O)c1cn(CC(=O)N[C@@H](CO)[C@H]2CCOC2)nn1 |
ZINC000050021144 | O=C(COC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)NCCCn1cccn1 |
ZINC000616388414 | O=C(NCCc1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccnc1OCc1ccccc1 |
ZINC001082334721 | COc1cc(C)ccc1C(=O)N[C@@H]1CN(CCC(C)(C)C)C[C@H]1OC |
ZINC000575971579 | COC[C@H]1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2Cc2cccs2)C1 |
ZINC000411984530 | C[C@H](NC(=O)CN[C@@H](CO)[C@@H]1CCCOC1)c1ccc(Cl)cc1 |
ZINC001210239543 | Nc1cccc2c1c(Cl)nn2-c1cccnc1C(F)(F)F |
ZINC000808508436 | Cc1c(C(=O)N[C@H](CC(=O)O)C2CC2)sc2cc(F)ccc12 |
ZINC001078688377 | COc1nc(C(=O)N[C@@H]2C[C@@H](NCc3ncnn3C)C23CCC3)co1 |
ZINC000533159211 | CC1CCN([C@H](CNC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)C(C)C)CC1 |
ZINC001843201959 | COc1cccc(CC(=O)N2CC3(CCCN3C(=O)c3cccnc3-c3ccc4ccccc4c3)C2)c1 |
ZINC000773694820 | O=C(NNc1c(Cl)cccc1Cl)C(=O)Nc1cccc2cc[nH]c12 |
ZINC000530882780 | CC[C@@H](Oc1ccccc1F)C(=O)NC[C@H](C)N1CCCC1 |
ZINC001754637554 | C#CCN(C(=O)Cn1ncnn1)C1CCN(C[C@@H]2CCCOC2)CC1 |
ZINC001325185945 | CCCN(Cc1nc(O)c2sccc2n1)C(=O)Nc1ccc(NC(=O)OC)c(F)c1 |
ZINC000670678814 | C[C@@H]1CN(C(=O)C(=O)NCc2ccccc2CN2CCOCC2)C[C@H](C(F)(F)F)O1 |
ZINC001535327526 | O=C(N[C@H](CC1CCC1)c1ccccc1)c1cc(OCC(F)F)ccn1 |
ZINC000112142692 | Cc1noc([C@H](NC(=O)N2CCC[C@H]2Cc2ccccc2)C(C)C)n1 |
ZINC001437100383 | COc1ccc(C)cc1CN[C@@H](C)CNC(=O)c1ccncc1 |
ZINC001448287373 | CC[C@@H](CN1CC([C@@H](C)NC(=O)Cc2cn3c(n2)CCCC3)C1)OC |
ZINC001807946009 | Cc1cc(C(=O)N2CC[C@H](CNC(=O)c3cc(=O)n4[nH]nnc4n3)[C@@H]2c2cccnc2)nn1C(F)F |
ZINC000464970648 | Cc1cc(N2CCC[C@H](NC(=O)[C@@H](NC(=O)c3c(F)cccc3F)C(C)C)C2=O)n(C)n1 |
ZINC000451846360 | C[C@H](O)CCN(CC(F)F)C[C@H](C)O |
ZINC000081034849 | CC(C)c1cccc(O[C@@H](C)C(=O)N2CCN(C3CCOCC3)CC2)c1 |
ZINC000619573550 | Cc1nn2cccnc2c1C(=O)Nc1nnc(-c2ccccc2Cl)s1 |
ZINC000591778628 | Cc1ccc(C(=O)N[C@H](CC(=O)N(CCC(N)=O)c2cccc(C)c2)c2ccccc2)cc1 |
ZINC001167679398 | N#CCc1c[nH]c2cccc(NCCc3ccc(C#N)cc3)c12 |
ZINC000776380691 | Cc1ncsc1COC(=O)Cc1cn2cccc(C)c2n1 |
ZINC000268194410 | C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C |
ZINC000804486082 | Cc1ccc([C@H](O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)cc1 |
ZINC000418470047 | CCCC[C@@H](CN)NC(=O)N(C)[C@H](C)CC |
ZINC000291962518 | CC(C)O[C@H](C(=O)NCc1cccc(CN2CCCC2=O)c1)c1ccccc1 |
ZINC000282437776 | C[C@@]1(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)CCC(=O)NC1 |
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