zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000633009573 | O=C(CC1CS(=O)(=O)C1)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 |
ZINC001389066783 | CCC1(C(=O)NC[C@@H](O)CNC(=O)c2ccoc2C)CCCC1 |
ZINC001705411872 | CC/C=C(/C)C(=O)NC[C@@]1(C)CCN(C(=O)c2ccc(C)s2)C1 |
ZINC001807849935 | Cc1nscc1C(=O)N1CCCC2(CCN(C(=O)CC(=O)Nc3ccc(F)cc3)CC2)C1 |
ZINC001328188575 | COC(=O)C[C@@H](CNC(=O)C(=O)N1CCOc2cc(OC)ccc2C1)C1CC1 |
ZINC000338337590 | CNC(=O)NC1CN(C(=O)CNC(=O)c2ccco2)C1 |
ZINC000472100849 | CC1CCC(OC2CCN(C(=O)[C@@](C)(O)Cn3cc(C(F)(F)F)ccc3=O)CC2)CC1 |
ZINC001465926850 | CCN(Cc1occc1C)C(=O)Nc1ccc(F)cc1OC(C)(C)C |
ZINC000838832314 | NC(=O)Cn1cc(CN2CCC(c3cccc(F)c3)CC2)nn1 |
ZINC001573843906 | CCC(C)(C)CC(=O)NC[C@@H]1CN(C(=O)c2cn3ccccc3n2)C[C@H]1C |
ZINC001443980076 | CC[C@@H](CNC(=O)c1c(C)cc(C)nc1O)NCC(N)=O |
ZINC000657033526 | Cc1ccc(CS(=O)(=O)NC[C@@H]2CCN(C(C)(C)C)C2)cc1C |
ZINC000985851083 | C[C@H]1[C@@H](NCc2noc(C(C)(C)C)n2)CCN1C(=O)C1CCC1 |
ZINC001262189345 | O=C1CCC(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CC1 |
ZINC001611731471 | C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)Cc2ccc(Br)o2)n1CCC(C)(C)O |
ZINC001795773829 | O=C(Cn1ccccc1=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1n[nH]c3ccccc13)C2 |
ZINC000370237854 | COCCCNC(=O)CN(C)C(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1 |
ZINC001725100530 | Cc1cc(C(=O)N[C@@H](C)[C@@H](C)NCCNC(=O)C2CC2)oc1C |
ZINC001009213374 | CCc1cccnc1C(=O)NC[C@H]1[C@@H]2CN(C(=O)CCC3CC3)C[C@H]12 |
ZINC000420084485 | CC[C@H](C(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)[C@@H](C)O |
ZINC000440915409 | O=C(N[C@@H]1CCCN(CC(=O)N2CCSc3ccccc32)C1)c1cc2ccccc2o1 |
ZINC001579602517 | CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)c1nc(O)c(-c4nn[nH]n4)cc1C)C[C@@H]3C2 |
ZINC001566527932 | CC#CCN[C@@H](C)[C@@H]1CCCCN1C(=O)c1cnn[nH]1 |
ZINC001325356096 | COc1ccc(C(=O)NNC(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)cc1 |
ZINC001641727670 | O=C1[C@H](N2CCCc3sccc3C2)CCN1c1ccc(Cl)c(Cl)c1 |
ZINC000686000544 | COCCCS[C@](C)(C(=O)O)C1CC1 |
ZINC001254306687 | COc1ccc(Cn2ccnc2-c2nnc(Cc3ccc(Cl)cc3)o2)cc1 |
ZINC001412937605 | CCCCc1ccc(N2C[C@@H](C(=O)N(C)C3(CO)CC3)CC2=O)cc1 |
ZINC000938511190 | C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H](NC(=O)c3ncccn3)C2)O1 |
ZINC000096909300 | CC(C)C[C@@]1(C)OC(=O)c2c1ccn(CCCN1CCOCC1)c2=O |
ZINC000436986026 | CC1CCN(S(=O)(=O)Cc2ccccc2CNC(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 |
ZINC000736543839 | CCOC(=O)N1[C@H](c2ccc(C)o2)CC[C@@H]1C(=O)Nc1cccc(S(N)(=O)=O)c1 |
ZINC000807575064 | C[C@@H](CN(C)C)NC(=O)NNC(=O)COc1ccccc1Cc1ccccc1 |
ZINC001269677366 | C#CCNC[C@@]1(NC(=O)Cc2coc3ccccc23)CCCC[C@H]1C |
ZINC000841614191 | COC1([C@H](C)NC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 |
ZINC000348432821 | COCCOc1ncccc1C(=O)NC(C)(C)CC(N)=O |
ZINC000763603694 | C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H](C)c2c(F)cccc2F)n1 |
ZINC000067033785 | O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H]1c1cccc2c1OCCO2 |
ZINC000585478247 | COc1ccc(/C=C/C(=O)N2CCN(c3cc(N4CCN(C)CC4)nc(C)n3)CC2)cc1 |
ZINC001321941583 | CCC[C@@]1(C)NC(=O)N([C@H]2CCCc3c2cnn3Cc2ccccc2)C1=O |
ZINC000750431502 | C[C@@H](NC(=O)COC(=O)Cc1cccc(C#N)c1)[C@@H]1C[C@H]2CC[C@H]1C2 |
ZINC001787354714 | Cc1cc(C(=O)Nc2ccc(C3(NC(=O)Cc4ccc(F)cc4Cl)CCC3)cc2)nn1C |
ZINC000303990728 | CC[C@@H](O)CN1CCCN(S(C)(=O)=O)CC1 |
ZINC000575027483 | C[C@@H](N)[C@@H]1CCN(C(=O)NCCOCC2CCCC2)C1 |
ZINC000601114598 | CCOC(=O)CCc1cc(N2CC[C@@H](O)C2)nc(C)n1 |
ZINC000718095621 | Cc1coc([C@@H](CN)N2CCCOC[C@H]2C)c1 |
ZINC000766732826 | CCSc1ccc(CC(=O)OCc2nnc(-c3ccccc3)s2)cc1 |
ZINC000413586011 | CO[C@](C)(CNC(=O)N1CC[C@H](C(=O)N(C)C)C1)c1ccccc1 |
ZINC001385779617 | CCO[C@@H](C)C(=O)N1CCC2(CC1)C[C@H]2NC(=O)c1cncs1 |
ZINC000890762990 | CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2cccc(Cl)c2O)C1 |
ZINC001164389934 | COC(=O)[C@]1(C)CCCN1C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl |
ZINC000781262775 | CCc1cnccc1C(=O)OCC(=O)N(CCC#N)c1ccccc1 |
ZINC000427633845 | CC(C)(Oc1ccc(C#N)cc1)C(=O)NCCC#N |
ZINC000866677577 | CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3onc(Cl)c3c2)C1 |
ZINC000131781862 | CC[C@@H]1CCN[C@H](C(=O)NCCc2ncc[nH]2)C1 |
ZINC000373173672 | Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NN(C)C(N)=O)CC2)c(C)c1 |
ZINC001623609806 | O=C(Nc1ccc(Oc2cc(F)cc(F)c2)nc1)[C@H]1Cc2cc(F)ccc2O1 |
ZINC001473755613 | COC(=O)C(C)(C)CN(CC(C)C)C[C@@H](O)c1cccc(Cl)c1 |
ZINC000222756849 | O=C1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2F)CCN1 |
ZINC000690657824 | COc1cc(N2CCCCC2)c(Cl)cc1N |
ZINC001046312452 | C=C1CC(C)(C(=O)NCC2(O)CN(C(=O)[C@@H]3CCC(C)(C)C3)C2)C1 |
ZINC000352766617 | C[C@@H]1CN(C(=O)Cn2cc3ccccc3n2)C[C@H]1O |
ZINC001681132114 | Cc1ccc([C@H](CC(F)(F)F)NC(=O)NNC(=O)c2cn(C)c3ccccc23)cc1 |
ZINC001393868225 | CC(C)CCCN(C)C[C@H]1CCCN1C(=O)c1cnnn1C |
ZINC000695811369 | CNC(=O)[C@@H]1CCCCN1[C@@H](C)CC(C)(C)C#N |
ZINC000383286739 | CC(C)CCCCC[C@H](N)c1csc(I)c1 |
ZINC001389997400 | CC[C@@H](C)[C@@H](OC)C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)c1ccoc1)C2 |
ZINC001455859405 | Cc1cc(=O)oc(C)c1C(=O)N(CCNC(=O)CC(C)(C)C)C1CC1 |
ZINC001060498510 | CC(C)C(=O)N1C[C@H]2[C@@H](Nc3ncnc4c(F)cccc34)CC[C@H]2C1 |
ZINC001721603615 | CC(C)[C@H](CC(=O)NC[C@@H](C)CNC(=O)C(N)=O)c1ccccc1 |
ZINC001150828130 | CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@H]12 |
ZINC001388441989 | Cc1nccc(C(=O)NC[C@@H](C)CNC(=O)[C@H]2CCCC2(C)C)n1 |
ZINC000430866955 | COCCOc1ccc(CN2C(=O)N[C@@H](c3ccc(Cl)cc3Cl)C2=O)cc1 |
ZINC001071115087 | CC/C(C)=C\C(=O)N[C@@H]1CCCN(C(=O)C2(CC)CCC2)C1 |
ZINC000895243269 | C#CCC1(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)CCOCC1 |
ZINC001327383099 | Cc1cc(-c2noc([C@@H](C)NCc3cccnc3N(C)C)n2)ccc1F |
ZINC001215235929 | Cc1c(CO)ccc(N=c2cc[nH]c3c2CCC3)c1C |
ZINC001342459859 | CCOCCCn1c([C@@H]2CCCCN2C)nnc1N1CCC(SC)CC1 |
ZINC000980222949 | C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H]3CN(C/C=C/Cl)C[C@H]3C2)cn1 |
ZINC000960998807 | C[C@@H](C(=O)N1CCO[C@@H]2CN(C(=O)c3cccnc3)C[C@@H]21)C1CCCC1 |
ZINC001376675972 | Cc1ncc(CN[C@H](C)CNC(=O)Cc2cccs2)cn1 |
ZINC001072096196 | COc1ncc(C(=O)N[C@H]2CC[C@H](C)N(CC#N)C2)cc1Cl |
ZINC000709458323 | COc1ccncc1CN[C@H]1C[C@H]2CN[C@@H](C2)C1 |
ZINC001174666645 | CC(C)n1ccc(CNCCCNC(=O)C[C@H]2CCCCC(=O)N2)n1 |
ZINC000406510442 | CN[C@H](CC[C@@H]1CCCN1C(=O)OC(C)(C)C)Cc1ccc2c(c1)CCC2 |
ZINC001031183769 | CNC(=O)[C@@H](C)N1CC(NC(=O)c2noc3c2C[C@H](C)CC3)C1 |
ZINC001177939551 | OC1CCN(Cc2ccccc2CNCc2ccc(Cl)c(F)c2)CC1 |
ZINC001487458194 | Cc1cccc(CCC(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CC34CC4)C2)c1 |
ZINC001490365271 | CCc1nc(CN(CCCNC(=O)c2cc[nH]n2)C2CC2)no1 |
ZINC001513809691 | CCc1nnc(N(CC)C[C@H]2CCCO2)n1CCSCc1ccc(C)cc1 |
ZINC001058852003 | O=C([C@@H]1CCOC1)N1CC[C@H](Nc2ccc(C(F)(F)F)nn2)C1 |
ZINC001316943157 | O=C(NCC(F)F)C(=O)N[C@H]1CCCN(CCCCCF)C1 |
ZINC001604011013 | CC[C@@H](C)n1ncc(NC(=O)N[C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1C |
ZINC000157890214 | Brc1cncc(CNc2cccc3ncccc23)c1 |
ZINC001736241226 | CC/C=C(/C)C(=O)N1CCCCC[C@H](NC(=O)Cc2cnc[nH]2)C1 |
ZINC000266611323 | C[C@@H](NC(=O)[C@@H]1CCCS1)C(N)=O |
ZINC000657179904 | COCc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1 |
ZINC001048834568 | O=C(c1cc[nH]c1)N1C[C@@H]2CN(CCCC3CCCC3)C[C@@H]2C1 |
ZINC000194059277 | O=C(NC[C@H]1Cc2ccccc21)C(=O)Nc1ccc(Br)cc1Cl |
ZINC001715413665 | COC1(CC(=O)N2CC[C@@H](NCC3CC(C)(C)C3)[C@H](C)C2)CCC1 |
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