zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC001290929134 | Cc1noc(C)c1CN(C)c1nnc([C@H]2CCCCO2)n1CCOc1ncccc1Cl |
ZINC001452871929 | CC[C@H](C(=O)N(C)C[C@@H]1CCN1C(=O)c1[nH]c(C)cc1C)N(C)C |
ZINC000443075300 | COc1cc(CN=c2nc3ncccn3[nH]2)ccc1C#N |
ZINC000244060649 | COc1ccc(CNC(=O)c2ccc(N[C@H]3CCS(=O)(=O)C3)nn2)cc1 |
ZINC001297495363 | C[C@H](O)[C@@](C)(CNC(=O)COc1ccc2ccccc2c1Br)Cc1ccccc1 |
ZINC000343867427 | CO[C@@H](C)CN(C)C(=O)CCc1cc2ccccc2o1 |
ZINC001780692802 | N#Cc1ccc(C(=O)N2CC[C@@]3(C2)CN(C(=O)c2ncc[nH]2)CCO3)cc1 |
ZINC000856456101 | CC1=NO[C@H](C(=O)N[C@H](c2ccncc2)C2(CO)CCC2)C1 |
ZINC001211915164 | CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cncc(F)c2)C[C@H]1OC |
ZINC000058864991 | Cc1ccccc1NC(=O)NNC(=O)Cc1csc(-c2cccc(Br)c2)n1 |
ZINC000453870423 | C=C(C)CCNC(=O)C(=O)Nc1c(C(=O)OC)cc(OC)c(OC)c1OC |
ZINC001404532917 | CC(C)[C@@H](F)C(=O)N1CC(CCO)(NC(=O)[C@@H]2CCC(=O)NC2)C1 |
ZINC001092526580 | CCc1nc(C)c(CN2C[C@@H](C)[C@H](CNC(=O)c3cccc(O)n3)C2)o1 |
ZINC001023676069 | CCc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc4nn[nH]c4c3)C2)o1 |
ZINC001824104717 | O=C(N[C@@H]1CCc2nc(NC(=O)c3onc4ccccc34)sc2C1)c1cnn(Cc2ccccc2)c1 |
ZINC001707335384 | Cc1ccc(C)c(OCc2nnc(N3CCC[C@@H](C)C3)n2CCCN2CCCO[C@@H](C)C2)c1 |
ZINC001643201816 | Cc1cc(C)nc(-n2nc(C(=O)Nc3cccc(CN=S4(=O)CCCC4)c3)cc2C)n1 |
ZINC001262885647 | C=CCOCc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1C |
ZINC000674297297 | C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)N(C)Cc2ccc[nH]2)CC1=O |
ZINC001469874361 | O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 |
ZINC000769869173 | CCCNC(=O)CN(C)C(=O)COC(=O)c1ccc(S(C)(=O)=O)c(Br)c1 |
ZINC001405874815 | CO[C@H]1CCC[C@H]1C(=O)NCC1(NCc2nnnn2C)CCCC1 |
ZINC000789071801 | C[C@H]1CC(=NNc2ccc3c(=O)[nH]ccc3c2)CN1Cc1ccccc1 |
ZINC000412470276 | COCCC(C)(C)C(=O)N1CCO[C@H](C2CCC2)C1 |
ZINC001834486710 | Cc1cnc2c(C(=O)N3CCC(N4CCC(NC(=O)Cc5ccccc5)CC4)CC3)cnn2c1 |
ZINC001115155122 | Cc1cccc(OC[C@H](O)CN2C[C@H]3C(NC(=O)C(C)(C)C)[C@@H]3C2)c1 |
ZINC000816736175 | CCn1ncn(NC(=O)CCn2c(S)nnc2-c2cccc(C)c2)c1=O |
ZINC001639735963 | CCOC(=O)c1n[nH]c([C@@H](CC(C)C)NC(=O)C2CC(C)(C)CC(C)(C)C2)n1 |
ZINC001322096636 | Cc1ccc(CC(=O)N(CCc2ccccc2)C(C)C)cn1 |
ZINC000746291959 | Nc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 |
ZINC000523867029 | C[C@@H](Sc1ncccc1C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)N1CCCC1 |
ZINC001048499616 | COc1cc(CN2[C@H]3CC[C@@H]2C[C@H](CNC(=O)[C@H]2C[C@H]2C)C3)sn1 |
ZINC000718010422 | C[C@@H]1NCC[C@H]1N1C(=O)[C@H]2CCC[C@H](C2)C1=O |
ZINC000353133685 | CCCN(CCN1CCCCC1)CC(=O)NC1(C#N)CCC1 |
ZINC000666836826 | CC(C)OCC(C)(C)NC(=O)N[C@@H]1CC[C@@H]1c1ccccc1 |
ZINC001216645323 | COC(=O)c1cc(Nc2nc3cccc(C(F)(F)F)n3n2)cn1S(=O)(=O)c1ccc(C)cc1 |
ZINC001733241186 | C[C@H](NC1(CNC(=O)C(=O)C(C)(C)C)CC1)C(=O)N(C)C |
ZINC001835615455 | O=C(NC1CCN(C2CCN(C(=O)Cc3ccc4ncnn4c3)CC2)CC1)c1cccn2cncc12 |
ZINC001792478131 | N#Cc1ccc(CCC(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)[C@@H]2CCc4ccccc4[C@H]2O)C3)cc1 |
ZINC001575546967 | C[C@H](CCNCCc1cnn[nH]1)NC(=O)c1cccc(-n2cccn2)c1 |
ZINC001800114644 | CCc1ccnc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)/C=C/C2CCCC2)c1 |
ZINC001624424378 | C[C@@H]1CNc2c(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)cnn2C1 |
ZINC001189902675 | COC1(CC(=O)N2CC[C@H](N(C)Cc3ccc(F)cc3)C2)CCC1 |
ZINC001572456467 | CC(C)C#CC(=O)NC[C@@H]1CC[C@@H](NC(=O)COCC(F)F)C1 |
ZINC000448481987 | CCn1nccc1NC(=O)C(=O)NCCN1CCCCCC1 |
ZINC000346398385 | CCOC(=O)[C@H](C)N(Cc1cc(Br)cs1)C1CC1 |
ZINC001401353419 | CC(C)CCC(=O)N(C)CCN(C)Cc1nnc2n1CCOC2 |
ZINC000802797825 | Cc1c(C(=O)O[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)nnn1Cc1ccncc1 |
ZINC000251544152 | CC[C@@H]1CC[C@@H](Nc2ccc(S(=O)(=O)NC)cc2)[C@H]1C |
ZINC000334296572 | CC(=O)c1ccc(C(=O)N2CCN(C)[C@H](C)[C@H]2C)c(F)c1 |
ZINC000206204580 | CC1(C)OB(c2cc(Cl)cnc2N2CCOCC2)OC1(C)C |
ZINC000756886771 | Cc1ccc(N(C(=O)CN2CCc3cc(F)ccc3[C@H]2C)[C@@H]2C=CS(=O)(=O)C2)cc1C |
ZINC001445127532 | C[C@H]1CCN(C(=O)Cc2cscn2)C[C@H]1CNC(=O)C(C)(C)F |
ZINC000294125235 | CCc1nc(C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)nn1-c1ccccc1F |
ZINC000597674519 | CCOC(=O)C[C@H](CO)NC(=O)c1cc(Br)ccc1-n1cnnn1 |
ZINC001509250021 | CCN1C[C@@H](C(=O)NCC2(NC(=O)C3CC3)CCCCC2)CC1=O |
ZINC000453049511 | Cc1o[nH]c(=NCc2cnc(CC(C)C)s2)c1C |
ZINC000518658306 | C[C@@H]1CCCCN1Cc1ccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 |
ZINC000259966001 | Cc1ncc(CN2CC[C@H](C#N)C2)cn1 |
ZINC001660753545 | C=CCN(CCCNC(=O)c1c[nH]c2ncccc12)C1CC1 |
ZINC001391913706 | CC[C@H](F)CNC[C@@H](C)CNC(=O)c1csnn1 |
ZINC001603003739 | C[C@H](C(=O)N1CCc2oc(-c3ccccc3)cc2C1)n1cnc(-c2nn[nH]n2)n1 |
ZINC000215983824 | Cc1ccc2c3c([nH]c2c1)CN[C@@H](CO)C3 |
ZINC001018705953 | O=C(c1ccc(F)cc1)N1CC2(CCN(C(=O)C(F)F)C2)C1 |
ZINC001161964085 | C#CCN=c1cc[nH]cc1C(F)(F)F |
ZINC001771382062 | CS[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 |
ZINC000348367375 | CS(=O)(=O)CC1(CN[C@@H]2CC[C@H]2C2CC2)CC1 |
ZINC001401871054 | CC(=O)NCC(=O)NC[C@H]1CCN1Cc1nnc(C(C)(C)C)o1 |
ZINC000713674539 | C=C/C=C/CCN[C@@H](C)c1ccccn1 |
ZINC000398013565 | Cc1ocnc1CNS(=O)(=O)N1CCC(CO)CC1 |
ZINC000320762134 | CCc1ccsc1[C@@H](NN)c1cc(OC)ns1 |
ZINC001761780119 | Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3nn(C)c(=O)cc3C2)s1 |
ZINC001304193605 | C[C@@H](CNC(=O)c1cc(C(F)(F)F)cnc1O)c1ccccc1[N+](=O)[O-] |
ZINC000333927944 | COc1ccc(NC(=O)N2CC3(CCOCC3)[C@@H]2C(C)C)c2cccnc12 |
ZINC000989445736 | CC[C@H](C)Oc1cc(C(=O)N2CCCN(CC3CC3)CC2)ccn1 |
ZINC001706674664 | CC(C)O[C@]1(c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@](C)(O)C2CC2)CCOC1 |
ZINC000311518078 | CO[C@@](C)(CNC(=O)c1cc(Br)ccc1I)C1CC1 |
ZINC001778172722 | O=C(CS[C@@H]1CCCCO1)N1CCO[C@]2(CCN(C(=O)C3=NO[C@@H](c4ccccc4)C3)C2)C1 |
ZINC001652705567 | CCOC(=O)c1c(C(F)(F)F)coc1CN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 |
ZINC000581013972 | O=C(c1cccc(-c2ccoc2)c1)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCNCC1 |
ZINC001285617677 | Cc1conc1C(=O)NC/C=C\CNC(=O)CN1CCCCCC1=O |
ZINC001436051306 | COC(=O)c1cccc(C(=O)N2CCc3ccccc3[C@@]2(C)C(F)(F)F)c1 |
ZINC000464031374 | Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)C[C@@H](C)C(C)(C)C |
ZINC001043236596 | CCc1nsc(N[C@@H]2CN(C(=O)c3cnc(COC)s3)C[C@H]2C)n1 |
ZINC001418044816 | CNC(=O)CN[C@H]1CCN(C(=O)COc2ccc(C)cc2C)C1 |
ZINC000688872815 | Cc1cc(C(=O)C[C@@H](C)CC(F)F)co1 |
ZINC001553280322 | C[C@@H]1CC2(CCOCC2)CN1c1nnnn1CC1(F)CCOCC1 |
ZINC001382448271 | O=C(N[C@H](CO)CNC(=O)c1cc(C2CC2)no1)c1ccco1 |
ZINC001577806941 | O=C(CCCCc1cnn[nH]1)N1CC[C@@]2(CCN(CC#Cc3ccccc3)C2)C1 |
ZINC000995510536 | Cc1cccc(CN[C@@H]2CN(C(=O)c3ccon3)CC2(C)C)c1 |
ZINC000529352717 | CON(Cc1ccc(Cl)cc1)C(=O)N[C@H]1CCNC12CCC2 |
ZINC001354846400 | COc1csc(C(=O)NCCCC2CCCCC2)c1 |
ZINC000505417744 | CCS(=O)(=O)Nc1ccccc1C(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 |
ZINC000280603173 | CSc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCC(C(N)=O)CC1 |
ZINC001549870702 | CCC1(N2CCCC2)CCN(C(=O)c2cncnc2C)CC1 |
ZINC001231035672 | CC(C)N(C)C(=O)CN1CC[C@H]1CN(C)C(=O)CC(F)(F)F |
ZINC001166782609 | CCNCC1(CCNC(=O)c2ccn(C(C)C)c2C)CC1 |
ZINC000917545550 | C[C@H](Nc1nc2ccccc2s1)C(=O)NN=C1CCN(C2CCCC2)CC1 |
ZINC001615038849 | CCn1cccc1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 |
ZINC001100045470 | COc1ncc(Cl)c(N(C)CCNC(=O)[C@H]2C[C@@H]2C(F)F)n1 |
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