zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC001783112696 | C=CC[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3ccc(C(=O)OC)nc3)CCO2)C1 |
ZINC001212814539 | Cc1cc(F)ncc1Nc1cc2c(s1)CCCC2 |
ZINC000460384885 | Cc1ccc([C@H](NC(=O)N[C@@H](CO)C2CCCC2)c2cccc(S(C)(=O)=O)c2)cc1 |
ZINC001438742629 | CC1(C(=O)N[C@@H](CNCc2cnon2)C2CCCCC2)CCCC1 |
ZINC000422877906 | CCC(N)(CC)CNC(=O)c1coc2cc(C)c(C)cc12 |
ZINC000413699939 | C[C@H](C(=O)OC(C)(C)C)C(=O)N1CCC[C@H](c2n[nH]c(C3CCCCC3)n2)C1 |
ZINC000975643205 | C/C=C(\C)C(=O)N1CC[C@H]2CCN(C(=O)c3cn(C)c(O)n3)[C@H]2C1 |
ZINC000380742169 | CCc1ccc(CN)cc1S(=O)(=O)N1CC[C@@H](C)[C@H]1C |
ZINC001821064127 | COc1c(Br)cccc1C(=O)Nc1cc([C@H]2CCCCN2C(=O)CC(C)(C)O)[nH]n1 |
ZINC000919952226 | O=C(c1ccc(Cl)cc1)N1CCCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 |
ZINC000786175774 | Cc1nc(C(=O)N2CC[C@@](F)(C#N)C2)no1 |
ZINC000801667074 | O=C(Nc1ccn(Cc2ccccn2)n1)c1cncc(-n2ccnn2)c1 |
ZINC000278149579 | COc1ccc([C@H](C)Cc2nc(CC(=O)NC(C)C)no2)cc1 |
ZINC001431301937 | CCN(C)CCC(=O)NC[C@H](NC(=O)c1cscn1)C(C)C |
ZINC001299927792 | Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)c1cccc(Cl)c1 |
ZINC001744016923 | C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCN(C(=O)[C@H]1CC12CCC2)C1CC1 |
ZINC001679150024 | Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)NCC[C@@H]3CCCC[C@H]3C)C2)cc1 |
ZINC001726189078 | CCOCCCC(=O)N[C@@H]1CC[C@H]2CN(C(=O)CCOC)C[C@H]2C1 |
ZINC000594984280 | CCOC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc2c(c1)C=CCCC2 |
ZINC000420377776 | C[C@@H]1CCN[C@H](C)[C@H]1NCc1csc(-c2ccc(F)cc2)n1 |
ZINC001523616918 | CC[C@@H]1C[C@@H](C)CN1c1nnc(C2CCN(CCC#N)CC2)n1CCOC |
ZINC001724397815 | C=CCNC(=O)[C@H](C)N1CC[C@](O)(CNC(=O)CC2(O)CCC2)C1 |
ZINC000387540480 | CC1(C)CN(c2ccnc3cc(Cl)ccc23)C[C@H]1Br |
ZINC001623746594 | C[C@H](NC(=O)c1ccc2ccn(C)c2c1)c1cc(F)ccc1N(C)C |
ZINC001300026720 | Cc1c(Br)cccc1CNC(=O)[C@@]1(O)CCc2ccccc2C1 |
ZINC000858534629 | Cn1nc(Cl)c(C(=O)NCCSC(F)(F)F)c1Cl |
ZINC001510635167 | C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)NC(=O)COC1CCCC1 |
ZINC001114442555 | Cc1nc(CN2C[C@H]3[C@H](NC(=O)[C@H](C(C)C)N(C)C)[C@H]3C2)n[nH]1 |
ZINC001772634104 | O=c1cc(-c2ccccc2)oc2c(OCCCCNC3CCCCC3)c(O)cc(O)c12 |
ZINC000618538033 | Cn1cc(NC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)cn1 |
ZINC001724374364 | Cc1ccc(F)c(CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 |
ZINC000706803117 | O=C(O)c1cc2ccccc2nc1N1C[C@H]2CCC[C@H]21 |
ZINC000754766422 | COc1ccc(-c2nc(C(=O)OC[C@@H]3CC(=O)N(C4CC4)C3)cs2)cc1OC |
ZINC000982614034 | O=C(NC[C@@H]1CCN(C(=O)CCC2CCC2)C1)C1CC=CC1 |
ZINC000945990761 | CC(C)CC(=O)N1CC[C@@H]2CN(C(=O)c3coc(C(N)=O)c3)CC[C@@H]21 |
ZINC000000473446 | OCc1cc(Cl)ccc1OCc1cccc(Cl)c1 |
ZINC000660471814 | CC(C)(F)CCNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 |
ZINC001318329254 | CCc1cc(OCC(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)ccc1Cl |
ZINC000494894911 | C[C@H](NC(=O)NCc1ccc(NC(=O)c2ccncc2)cc1)c1nc(C(F)(F)F)cs1 |
ZINC000051850451 | Cc1nc(-c2cccc(NC(=O)C(=O)NCCc3nccs3)c2)no1 |
ZINC001395144945 | C[C@@H](Cc1cnc[nH]1)C(=O)N(C)[C@H](C)CNC(=O)c1cc(F)c[nH]1 |
ZINC000089770728 | Cc1ccc(C(=O)N(C)C)cc1OC(=O)c1cnc([C@H]2CCCO2)s1 |
ZINC000992568498 | Cc1cc(C(=O)N2C[C@@H]3CN(C(=O)c4cnn(C)c4)C[C@]3(C)C2)ccc1F |
ZINC000349692035 | Cc1nc2cccc(-c3noc(CSCC(=O)OC(C)(C)C)n3)c2[nH]1 |
ZINC001706351592 | CC(C)[C@@H]1CN(c2nnc(CC3CC3)n2CC(=O)N2CCOCC2)CCS1 |
ZINC001064158747 | CSC[C@H](C)C(=O)NC1(CNC(=O)c2ccncn2)CCC1 |
ZINC001525957443 | C[C@H](CC(=O)OCc1ccccc1)NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21 |
ZINC000805413591 | CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccccc1Br |
ZINC000962175566 | Cc1nonc1CC(=O)NC1[C@@H]2CN(CC3CCC(C)(C)CC3)C[C@@H]12 |
ZINC000991173787 | Cn1cnc(C(=O)NC2CN(C(=O)CCn3cnccc3=O)C2)n1 |
ZINC001583950444 | CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCC2(c3ccc(Br)cc3)CC2)C1 |
ZINC001788080571 | C[C@H](CBr)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cn4ccc(Cl)cc4n3)[C@H]2C1 |
ZINC001709074967 | CCc1nnc(N2CC[C@@H](C(N)=O)C2)n1CCCOC[C@H]1CCOC1 |
ZINC000193776661 | NC(=O)[C@H]1CCCCN1CCC(=O)Nc1ccc(Br)cc1 |
ZINC000744182767 | CCO[C@@H](C)c1ncc(C(=O)Oc2ccc(OCc3nc(C(C)(C)C)no3)cc2)s1 |
ZINC000903001294 | CCc1noc(C)c1CN[C@H](C)[C@@H]1COc2ccccc2C1 |
ZINC001416629510 | CSCCC(=O)N[C@@H](CNC(=O)C1(CF)CCC1)C(C)C |
ZINC001117147750 | Cc1nccn1CCNC(=O)C(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O |
ZINC000767353106 | N#CCOc1ccc(CNC[C@H]2C[C@@H]2c2ccccc2)cc1 |
ZINC001373622308 | COC(=O)NCC(=O)N[C@@H]1CCN(C/C(Cl)=C/Cl)C1 |
ZINC000792879161 | CN(Cc1cc(=O)oc2cc(O)ccc12)[C@]1(c2ccccc2)CCCCC1=O |
ZINC000813518771 | CC(C)(C)OC(=O)N1CC[C@](C(=O)N2CCC[C@H](S(C)(=O)=O)C2)(C(F)(F)F)C1 |
ZINC001228696509 | CCOC(=O)[C@H]1CCC[C@@H]1Oc1n[nH]c(-c2cccnc2)n1 |
ZINC001393286868 | CCC[C@@H](C)C(=O)NC[C@H]1CCN1C(=O)Cc1cc(CC)nn1C |
ZINC001769280089 | COC[C@@H](F)Cn1c(C2CC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 |
ZINC001204218671 | CNC(=O)NC(=O)CN[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cc1ccoc1)C2 |
ZINC000527819587 | CC1(C)CCC[C@@H](CNCC2COC2)C1 |
ZINC000532510734 | CC(C)c1ccc(C(=O)N2CCC(OCC3CCCCC3)CC2)cn1 |
ZINC000182423372 | CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C[C@@](C)(O)c1ccccc1 |
ZINC000414214413 | CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)c2ccccn2)C1 |
ZINC001483504131 | CN(CCCNCc1cccnc1)C(=O)Cc1cncn1C |
ZINC000850474288 | C[C@@H](NCC[C@@H]1CCCN(C)C1)c1ccc2c(c1)CCCO2 |
ZINC000555798878 | COc1cc([C@@H](C)NC(=O)C(=O)N2CCc3ccc(C#N)cc32)ccc1OCC(C)C |
ZINC000307603951 | CC1(O)CN(C(=O)C(C)(C)C(=O)O)C1 |
ZINC000596826330 | COC(=O)[C@@H]1CC12CCN(C(=O)NC[C@]1(C)CC1(F)F)CC2 |
ZINC001072072312 | C[C@@H]1CC[C@@H](NC(=O)c2cc(-c3ccoc3)[nH]n2)CN1CCO |
ZINC001419435428 | CCCC[C@](C)(F)C(=O)N1CCC2(CCN(CCOC)C2)CC1 |
ZINC001841053477 | C=CCNC(=O)/C=C\C(=O)N1CCCC12CN(C(=O)COc1ccc(OC)cc1)C2 |
ZINC001650359718 | COc1ccc(CNC(=O)CCNC(=O)[C@H](N)C(C)C)cc1Cl |
ZINC000330639265 | C=C(C)CN(CC)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 |
ZINC000938605635 | Cc1cnoc1C(=O)N(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccncc2)C1 |
ZINC000955851489 | CC(C)(F)C(=O)N1CCC[C@H]1CNC(=O)c1ccc2c(c1)CCC=C2 |
ZINC001818031953 | C[C@@H](Cc1ccccn1)C(=O)N1CCCC[C@H]1c1cc(NC(=O)c2cc(O)nc(O)n2)n[nH]1 |
ZINC001428213185 | Cc1cccc(C(=O)N(C)C[C@@H](O)CNC(=O)[C@@H]2CC23CCC3)c1F |
ZINC001574275084 | CCOCCO[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1(C2CC2)CC1 |
ZINC000693026329 | CCCN1CC[C@H](CNC(=O)N(C)[C@@H](C)C(=O)O)C1 |
ZINC000255326616 | Cc1n[nH]c2cc(NC(=O)/C=C\c3ccc4ccccc4n3)ccc12 |
ZINC000443319908 | C[C@@H]1SCCN(C(=O)N[C@H](C)c2ccc(Br)s2)[C@H]1C |
ZINC001195710028 | Cc1sc(NC(=O)c2sccc2-c2ccccc2)c(C(N)=O)c1C |
ZINC001761494386 | C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCC1(O)CCC1 |
ZINC000229555018 | CCCC1CCC(CN)(OCCC2CCC2)CC1 |
ZINC000707050607 | Cc1cc(C(=N)N)ccc1N1CC[C@@H]2C[C@@H]21 |
ZINC001629147498 | C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1 |
ZINC001439702525 | CN(C)CCC(=O)N1CCC2(CCN(C[C@H]3C[C@H]4CC[C@H]3C4)CC2)C1 |
ZINC001384365272 | CCOCC(=O)N1CC[C@@H]1CN(C)C(=O)[C@@H](c1ccccc1)C(C)C |
ZINC000653820604 | COc1cc(NC(=O)CC2CCN(S(C)(=O)=O)CC2)ccn1 |
ZINC001841213286 | Cc1cncc(C(=O)N2CC3(CCCN3C(=O)c3cc(=O)c4ccccc4o3)C2)c1 |
ZINC000119758286 | CCS[C@@H]1CC[C@H](N(C)C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)C1 |
ZINC001182885227 | CC(C)n1nc(I)c2c(NC(=O)C(F)(F)c3ccc(F)cc3)ncnc21 |
ZINC000965473681 | Cc1nocc1C(=O)N1CCOC2(C1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 |
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