zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC001391320919 | NC(=O)CN1CC[C@@H](CCNC(=O)c2cc3ccccn3c2)C1 |
ZINC001558884226 | CC[C@@H](NC(=O)[C@H]1CN(Cc2ccccc2)CC12CCC2)C(F)(F)F |
ZINC001179745989 | CC(C)(C)OC(=O)N1CCC(O)(C(=O)NC2CCN(CCc3c[nH]c4ccccc34)CC2)CC1 |
ZINC000707223403 | CCNc1nccc(N2CCNC(=O)C[C@H]2C)n1 |
ZINC000521682942 | CN1CCC([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCOC4(CCSCC4)C3)C2)CC1 |
ZINC001038779977 | CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H]1CCN1Cc1cccc(F)c1 |
ZINC000612041330 | O=C(NCc1cccc2c1OC(F)(F)O2)C(=O)N[C@H](C1CC1)[C@H]1CCCCO1 |
ZINC000308511055 | CC(C)SCC[C@@H]1CCC[C@H]1C(=O)O |
ZINC001663282489 | Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1 |
ZINC000970590995 | CC(=O)N1CC[C@@H](C(=O)N2CC[C@@H](NCc3ncc(C)cn3)C2)C1 |
ZINC000805921582 | Cc1nc(CN2CCC(C(=O)O[C@@H]3CCO[C@@]4(CCOC4)C3)CC2)cs1 |
ZINC001220743065 | CC/C=C/CCN1C[C@H](O)[C@H](NC(=O)C[C@H](C)CC(C)C)C1 |
ZINC001788570279 | C=C[C@H](O)C(C)(C)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)C#Cc3ccc(Cl)cc3)C[C@@H]21 |
ZINC001525908111 | O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCOC[C@H]1c1ccc(F)cc1 |
ZINC001679151188 | C[C@H]1CCCC[C@H]1CCNC(=O)N1CCOc2cc(F)ccc2C1 |
ZINC001505176185 | CS[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 |
ZINC001243386450 | Clc1cnccc1-c1ccc2ccc3cccnc3c2n1 |
ZINC001213902229 | COc1cc(N2CCNCC2)ccc1Nc1cccc2snnc12 |
ZINC000915438116 | O=C1CCCc2cc(C(=O)OCC(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)ccc2N1 |
ZINC001038891443 | CCc1nc(C)c(C(=O)NC[C@@H]2CCN2CCn2nc(C)nc2C)o1 |
ZINC001746984266 | O=C(NC[C@@H](O)CNC(=O)c1nc2cccnc2s1)c1cn[nH]c1 |
ZINC001460386715 | CC(C)[C@@H]1C[C@H]1n1c(N2CCO[C@]3(CCOC3)C2)nnc1C(C)(C)C |
ZINC000272775818 | Cc1ccc(C)c(SCC(=O)N[C@H](C)C2=CCN(C)CC2)c1 |
ZINC001728112649 | CCCn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C |
ZINC001447811169 | CC[C@H](NC(C)=O)C(=O)NC1CC(CNCc2nc(C)c(C)o2)C1 |
ZINC000289619676 | O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1=O)OC1CCOCC1 |
ZINC000492844372 | CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)/C=C\OCC)C1 |
ZINC000943695836 | CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](NC(=O)c2ncc[nH]2)CC1 |
ZINC001553871848 | CCn1nccc1[C@@H]1OCC[C@@H]1NC(=O)c1cccc2nsnc12 |
ZINC001765573556 | CCC[C@H](Cn1c(Cc2ccccn2)nnc1N1CCS[C@H](C(C)C)C1)OC |
ZINC000286738529 | COC(=O)[C@H]1CC[C@H]1C(=O)Nc1cc(F)c(F)cc1N1CCOCC1 |
ZINC001316204929 | COCCO[C@H](C)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1Cc1ccoc1 |
ZINC000110905588 | Cc1cc(C)n(C[C@H]2CN(C(=O)c3ccc(-n4c(C)ccc4C)cc3)CCO2)n1 |
ZINC000473748468 | C=CCN(C(=O)c1cc(O)nc(C2CC2)c1)[C@H](C)c1cccc(-n2cnnn2)c1 |
ZINC001413852538 | O=C(NC[C@H]1CCCNC1=O)NCC1(OCCO)CCOCC1 |
ZINC000769609049 | O=C(CCCc1ccsc1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 |
ZINC001586071882 | CC(C)S(=O)(=O)c1cccc(C(=O)N2CCCc3ccc(F)c(Cl)c32)c1 |
ZINC000745555332 | CCOc1ccccc1NC(=O)[C@@H](OC(=O)/C=C\C1CC1)c1ccccc1 |
ZINC001732857854 | CCNC/C=C\CNC(=O)c1c(O)nnc(CC)c1CC |
ZINC000564419027 | Cc1ccc(-n2nc(C(=O)N3CCN[C@@H](c4ccccc4)C3)c3c2CCC3)cc1 |
ZINC000582884815 | O=C(CNC1(c2cccc(C(F)(F)F)c2)CCOCC1)N1CCO[C@@H]2CCCC[C@H]21 |
ZINC001741231497 | CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2[C@@H]2C[C@H]2CF)C1 |
ZINC000328371267 | C#CCNC(=O)[C@@H](C)Oc1cccc(C[C@@H](C)N)c1Cl |
ZINC001226971584 | Cc1cccc([N+](=O)[O-])c1OC[C@@H]1CCC(c2ccccc2)=NO1 |
ZINC001083254524 | Cc1cc(F)ccc1C(=O)N1CCO[C@@H]2CN(C(C)C)C[C@@H]21 |
ZINC000883722936 | O=C(NCCc1ccoc1)N[C@@H]1CCC[C@@]12CCCCO2 |
ZINC001641439924 | COc1ccc(-c2cc(C(=O)N3C[C@@H](C(N)=O)[C@H](C(N)=O)C3)c3ccccc3n2)cc1 |
ZINC000636602898 | C[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@]1(C2CCCC2)CCNC1=O |
ZINC001330459639 | CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)Oc1ccc2cncnc2c1 |
ZINC001497161163 | CCC1(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(C(C)C)C2)CC1 |
ZINC000702612457 | CCCc1cc(N[C@@H](C)CF)ncn1 |
ZINC000843314073 | CC(C)(C)OC(=O)[C@@H]1CC[C@H](N2C(=O)N[C@H](c3ccccn3)C2=O)C1 |
ZINC001510470685 | C=CCC1(C(=O)N[C@@H](C)CN(C)C(=O)[C@H](C)SC)CCCCC1 |
ZINC001766494730 | CCOC[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 |
ZINC000446069989 | Fc1ccc(F)c(OCc2nnnn2CCOCC(F)(F)F)c1 |
ZINC001425335882 | N#Cc1c[nH]c(C(=O)NC[C@@H](CO)NC(=O)Cc2cccs2)c1 |
ZINC001270083352 | O=C(Cc1ccccc1)N1CCC[C@@H]1CNCCOCC1CCC1 |
ZINC001641354502 | COC(=O)[C@@H]1CCCC[C@H]1Cn1cnc2c(c(Br)nn2C(C)(C)C)c1=O |
ZINC000193092288 | CC(C)c1nc2n(n1)C[C@H](N[C@H]1CCN(c3ccccc3)C(=O)C1)CC2 |
ZINC000545445389 | O=C(Cc1cc2c(ccc3ccccc32)o1)N1CCOCC2(CCC2)C1 |
ZINC001102647464 | CCOCC(=O)NCC[C@@H]1CN([C@@H](C)c2cccc(OC)c2)C[C@H]1C |
ZINC000302712476 | Cn1ncc(C(=O)N(CC(N)=O)[C@@H]2CCNC2)n1 |
ZINC001307892925 | CC[C@H](C(=O)OC(C)(C)C)N(C)CC(=O)NCCO[C@@H]1CCCC[C@@H]1C |
ZINC000081442426 | CC[C@@H](C)[C@H](C(=O)N(C)C[C@@H](C)C(=O)NC)c1ccccc1 |
ZINC000551385002 | Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCCC2(O)CCC2)cc1 |
ZINC000940086722 | COc1cccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCC4(CC4)C3)C[C@H]2C)c1 |
ZINC001660129713 | CCc1cnc(CN(C)CCCNC(=O)C#CC2CC2)o1 |
ZINC000132894881 | C[C@H]1CN2CCC[C@@H]2CN1C(=O)CCc1cc2ccccc2[nH]c1=O |
ZINC001519358240 | COCCO[C@@H]1CCCN(c2nnc(C3CC3)n2Cc2ccc(OC)nc2OC)C1 |
ZINC001052617724 | Cc1nn[nH]c1C(=O)N[C@@H]1CCCN(Cc2ncoc2C(C)C)CC1 |
ZINC001175270627 | CC(=O)c1ccc(F)c(Nc2cncc(C(N)=O)c2)c1 |
ZINC000189714145 | O=C(NCCNC(=O)c1cccs1)N[C@H]1CC[C@@H](Cc2ccccc2)C1 |
ZINC001507948871 | CC(C)(C)[C@H](CNCC1CC1)NC(=O)[C@@]12COC[C@@H]1C2 |
ZINC000311962676 | NC1C[C@@H]2CC[C@H](C1)N2C(=O)c1cscc1C(=O)O |
ZINC001550783642 | C[C@H](O)C[C@H]1CCCCCN1C(=O)C[C@H]1CCCOCC1 |
ZINC001084679846 | Cn1nccc1CN1CC[C@@H]2CN(C(=O)c3cc(C4CC4)[nH]n3)[C@@H]2C1 |
ZINC000700546935 | COC[C@@H]1C[C@H](O)[C@H](c2ccc(C(C)(C)OC)cc2)C1 |
ZINC000163866722 | O=C(CSc1cccc(Br)c1)N1CC[C@](O)(C(F)(F)F)C1 |
ZINC001818307957 | Cc1cc(C(=O)N[C@@H]2CCc3nc(NC(=O)c4nc5ncccn5n4)sc3C2)c(C)n1C |
ZINC001251483470 | COc1cc(O)c(-c2nc3ccc(Cl)cc3n2C)cc1OC |
ZINC000612744986 | O=C(NC(Cc1ccccc1F)Cc1ccccc1F)[C@@H]1[C@H]2COC[C@H]21 |
ZINC001522388158 | CCCCCCCCC(=O)N[C@]12CCC[C@H]1CN(C(=O)C(N)=O)C2 |
ZINC000457947786 | Cc1cccc(C)c1OC[C@H](C)NC(=O)NC[C@H](O)C1CCC1 |
ZINC001290927780 | C[C@@H]1CN(C(=O)c2ccnc(OC3CCC3)c2)C[C@H]1CNC(=O)C1(C)CC1 |
ZINC001036046195 | Cc1ncoc1CN[C@H]1CCN(C(=O)c2cc[nH]c2)C[C@@H]1C |
ZINC000495145941 | CN(CCc1ccc(Br)cc1)C(=O)c1ccc(CN2CCC(CO)CC2)cc1 |
ZINC000276023191 | Cn1ncc(C(=O)N[C@@](C)(CO)C2CCCCC2)c1Br |
ZINC000897307007 | CC[C@@H](CSC)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N |
ZINC000933135631 | CCn1cc(C(=O)N2CCS[C@@H](C)[C@H]2c2ccccc2)nn1 |
ZINC000894414650 | O=C(NC[C@H]1CC2(CCC2)CO1)c1csc(-c2cnccn2)n1 |
ZINC000476408291 | CSc1ccc(NS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1Cl |
ZINC001269648859 | NS(=O)(=O)CCCC(=O)N1CC2(C[C@@H]2C(=O)Nc2nnco2)C1 |
ZINC001702132572 | CC/C(C)=C/C(=O)N1CC[C@H]2CN(C(=O)c3cnn(CCOC)c3)C[C@H]21 |
ZINC000654073695 | Cc1cnc(CCNC(=O)[C@@H]2CCOC[C@H]2C)c(C)c1 |
ZINC000954201395 | CN(C(=O)C1CC(C)(C)C1)C1CN(C(=O)CC2CS(=O)(=O)C2)C1 |
ZINC000449305106 | COCC1CCC(N[C@H]2C[C@H](c3ccccc3C)C2)CC1 |
ZINC000467215805 | COCc1ccc([C@H]2CCCN2C(=O)NCc2ccccc2CS(C)(=O)=O)o1 |
ZINC000694593824 | CCCOc1cncc(N[C@H]2CCC[C@H](Cl)C2)n1 |
ZINC001169690621 | CCOC(=O)N1CCC[C@H](N2CCOC[C@@H]2c2csc(-c3ccccc3)n2)CC1 |
ZINC000542483756 | O=[N+]([O-])c1ccc(CNC[C@H](CO)Cc2ccccc2C(F)(F)F)c(Cl)c1 |
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