zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC001136077352 | CCCCCCC(=O)N[C@H](C)C[C@@H](C)NCCOCC(F)F |
ZINC001028874676 | Cc1ncc(C(=O)NC[C@@H]2CCN(CC(F)(F)C(F)F)C2)c(C)n1 |
ZINC001097143757 | Cc1nccc(N2CC[C@@H]3[C@H](CCCN3C(=O)C3(CCF)CC3)C2)n1 |
ZINC000744581738 | CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)COC(=O)c1ccoc1C |
ZINC001400845585 | CC[C@@H](CNC(=O)[C@@H](C)c1ccc(C)o1)NCc1cn(CC)nn1 |
ZINC000444127380 | COC[C@@](C)(NC(=O)CN1CCN(C)C(=O)C1)C(F)(F)F |
ZINC001411631377 | C[C@@H](CNC(=O)CC(C)(C)C(F)(F)F)N(C)C(=O)[C@@H]1C[C@H]1C |
ZINC000883695367 | Cc1cc(CNC(=O)N[C@@H]2CCC[C@]23CCCO3)cc(C)n1 |
ZINC001512896806 | CCO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)C2CCC(F)(F)CC2)C[C@H]1O |
ZINC000560844568 | Cc1nnc(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)n1C1CC1 |
ZINC000424658725 | C[C@@H](CC(=O)N1CCC[C@@H]1CS(N)(=O)=O)n1cccn1 |
ZINC000759700527 | Cn1cc(-c2cccc(C(=O)N3CC[C@H](CO)C3)c2)cn1 |
ZINC000595994006 | COC[C@H](NC(=O)[C@]1(C(=O)O)C[C@H]2CC[C@H]1C2)C(=O)OC |
ZINC000908930563 | C[C@](NC(=O)c1ccc(CN2CCC(CO)CC2)cc1)(C(=O)O)c1ccccc1 |
ZINC000974131568 | Cc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cccnc3)C2)c(C)[nH]1 |
ZINC001063155487 | Cc1nc(C)c(C)c(N2CCCC[C@@H](NC(=O)C3CCOCC3)C2)n1 |
ZINC001794016659 | C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CCc1ccc(F)nc1)n1ccnc1 |
ZINC000359638198 | CC(C)(CC(=O)N1CC(OCC(F)F)C1)C(F)(F)F |
ZINC001339732118 | O=C(NC[C@@H](CO)CC1CCOCC1)N[C@@H]1C[C@H]1c1ccccc1Br |
ZINC001829419302 | O=C(c1cnc(-c2ccccc2)s1)N1CCCC[C@@H]1C1CCN(C(=O)C(F)(F)Cl)CC1 |
ZINC000476094107 | Cc1nc2ccccc2n1CCC(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 |
ZINC000265976495 | CC[C@@H](CC(=O)NC[C@H](O)c1ccc(C)o1)c1ccc(C)cc1 |
ZINC000971744977 | Cc1nc(O)[nH]c1C(=O)N1CC[C@H](N(C)Cc2ccccn2)C1 |
ZINC001089325485 | CC(C)c1ncncc1C(=O)N[C@@H](C)C[C@H](C)Nc1nccnc1F |
ZINC000577022971 | FC(F)Oc1ccc(-c2noc([C@H]3CCCN3c3ncnc4sccc34)n2)cc1 |
ZINC001331573861 | COC(=O)[C@]1(OC)CCN(S(=O)(=O)C2=Cc3ccccc3CC2)C1 |
ZINC001756612190 | CC(C)C#CC(=O)N[C@@]12CCC[C@H]1N(C(=O)CCC(F)F)CC2 |
ZINC001444164888 | N#CC1(C(=O)Nc2ccc(CNC(=O)c3ccc(Br)cc3)cc2)CC2(CC2)C1 |
ZINC001143756876 | CCCCc1ncc(CN(C)[C@H](C)C#N)n1Cc1ccc(C(=O)O)cc1 |
ZINC001836447627 | CC(C)(C)Oc1ccc(C(=O)NC2CCN(C3CCN(C(=O)Cn4ccccc4=O)CC3)CC2)cc1 |
ZINC001123509603 | Cc1ccc(C)c(NC(=O)[C@H](C)NCCNC(=O)c2ccoc2)c1 |
ZINC001270926941 | Cc1ncsc1C(=O)N1CCn2c(nnc2C(=O)NCC(F)F)C1 |
ZINC000282574898 | N#Cc1cc(S(=O)(=O)N2CCOC[C@@H]2C#N)ccc1C(F)(F)F |
ZINC001038439335 | O=C(NC[C@@H]1CCN1Cc1ccon1)c1cnc2ccccn12 |
ZINC001575420012 | C[C@@H](Nc1ccc(-c2nn[nH]n2)nc1)[C@@H]1CCN(C(=O)c2cccnc2)C1 |
ZINC001090753388 | CCCCCC[C@@H](C)C(=O)N[C@@H]1CN(c2ncccn2)C[C@H]1C |
ZINC000539641326 | COc1ccc(F)cc1NC(=O)C(=O)NC1CC(C)(C)CC(C)(C)C1 |
ZINC001110262693 | O=C(NCC1(Nc2ncnc3c2CCC3)CC1)[C@@H]1CCC1(F)F |
ZINC001291348166 | CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)c1cccc(O)c1 |
ZINC000375395025 | Brc1ccc(CN[C@@H](c2ccccc2)c2nc[nH]n2)s1 |
ZINC000805220326 | C=CCCCCCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 |
ZINC001723653826 | CC(C)NC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 |
ZINC001542680641 | CSc1cccc(N(C)C(=O)c2ccnc3ccncc23)c1 |
ZINC000565885189 | COc1ccc([C@H]2[C@H](C(=O)Nc3cc4n(n3)CCCC4)CC(=O)N2C)cc1 |
ZINC001317891509 | CC(C)CCOCCN[C@H]1CCCN(C(=O)C2[C@@H]3CCCC[C@@H]23)C1 |
ZINC000562971801 | CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)C[C@@H](N)Cc2ccccc2)c1 |
ZINC001790486743 | CC[C@H](Cl)C(=O)Nc1ccc(C2(NC(=O)c3cn(C(C)(C)C)nn3)CCC2)cc1 |
ZINC001447873521 | C[C@H](NC(=O)CCC(C)(F)F)[C@@H](C)NCc1nnnn1C1CC1 |
ZINC001081956948 | CC[C@@H](C)CCCCC(=O)NC[C@@H]1CCCCN1C(=O)c1cocn1 |
ZINC001835754465 | CC(=O)OC[C@H](OC(C)=O)C(=O)NC1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)CC1 |
ZINC001071753904 | C=C(C)CCN1C[C@@H](NC(=O)c2c(C)cnn2C)CC[C@H]1C |
ZINC001582073057 | O=C(CCc1cccs1)N[C@H](CN=c1cc[nH]cc1-c1nn[nH]n1)C1CC1 |
ZINC000772163321 | CCc1cccc(CC)c1NC(=O)[C@H](C)OC(=O)c1cn(C)nc1-c1ccccc1 |
ZINC001037202365 | O=C(N[C@@H]1CCCC[C@@H]1CNCC1CCC1)C12CCCN1CCC2 |
ZINC000537729117 | Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(Cl)cc(Cl)c3O)CC2)cc1 |
ZINC000961348616 | CNC(=O)CN1CCC[C@H](C2CCN(C(=O)c3cnc(C)[nH]3)CC2)C1 |
ZINC001469563740 | CC[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)C[C@@H](CC)O1 |
ZINC000870379791 | CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(F)(F)C1 |
ZINC000857148604 | CCCCC[C@@H](NC(=O)c1cnc2n1CCCCC2)C(=O)OC |
ZINC001419721169 | CCn1cc(C(=O)NC[C@@H](C)NCc2ccnc(OC)c2)cn1 |
ZINC001657940961 | COc1ccc(OC)c([C@@H](O)[C@H](C)NCc2cc(Cl)c(OC)cc2Cl)c1 |
ZINC001422427971 | COC[C@H](C)NCC[C@H](C)NC(=O)c1ccc(C)c2c1CCC2 |
ZINC001416706346 | CCn1ncc(C(=O)NC[C@H](O)CNC(=O)c2ccccn2)n1 |
ZINC001384254353 | CN(C[C@H](O)CNC(=O)CC(C)(C)C1CC1)C(=O)[C@@H]1CCC1(C)C |
ZINC001317549850 | Cn1cnnc1CN(CCNC(=O)/C=C\c1ccc[nH]1)C1CC1 |
ZINC000802636741 | CN(CC(=O)Nc1ccccc1Cl)Cc1ccc(-c2cnn(C)c2)s1 |
ZINC000301507126 | Cc1ccccc1[C@H]1CCCN1c1ccc(Br)cn1 |
ZINC000530977406 | NC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)C1)C1CCCCC1 |
ZINC001814883003 | C[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1cc([C@H]2CCCCN2C(=O)c2ccc3ccoc3c2)[nH]n1 |
ZINC000751324338 | C[C@@H]1CCN(C(=O)C[C@](O)(c2nccn2C)C(F)(F)F)[C@H]2CCCC[C@@H]21 |
ZINC001781456537 | CCN(C)[C@H](C)C(=O)NC[C@@]12CCCO[C@@H]1CCN(C(=O)CCC=C(C)C)C2 |
ZINC000927182379 | CCOC(=O)CSC[C@@H]1NC(=O)N(c2cccc(-n3cccn3)c2)C1=O |
ZINC000460102833 | CCOC(=O)[C@](C)(O)CNC(=O)c1ccc(C)c(NC(=O)c2ccccc2F)c1 |
ZINC001304794590 | Cc1nnc(N(C)Cc2ccc(F)cc2F)n1Cc1ccnc(OCC2CC2)c1 |
ZINC000980100555 | C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)cc1 |
ZINC000876074289 | C#CC[C@@H](CCOC)NC(=O)c1ccccc1OCC(N)=O |
ZINC000660479166 | COc1ccc(CCCNC(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)cc1OC |
ZINC000127793876 | COCCOCCOCCS/C(N)=N/C(=N)N |
ZINC001462501161 | CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1CCc2cc(F)ccc21 |
ZINC001094563511 | C#CCN1CC[C@@]2(CNC(=O)c3ccccc3OC(C)C)CCC[C@@H]12 |
ZINC001471077276 | CC(C)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)C(=O)NC[C@@H]1COCCN1C |
ZINC000142696857 | Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)N[C@@H](C)COc1ccc(F)cc1 |
ZINC001191216970 | CC(C)C[C@H](C)N(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)c2cn[nH]c2)C1 |
ZINC001148867046 | Nc1ccc(N(C(=O)c2cccc(-c3ccccc3)c2O)[C@H]2CC[C@H](O)CC2)nc1 |
ZINC000693431983 | COCc1ccc([C@@H](N)C[C@H]2CCCO2)cc1 |
ZINC001334702373 | C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@@]2(C)C[C@H]2Br)C1=O |
ZINC001031692827 | C#CCN1CC(CNC(=O)c2cnc3cc(C)ccn23)C1 |
ZINC000862454151 | Cc1ccc(-c2nn(CCC#N)cc2C(=O)NNC(=O)[C@@H]2CCC(=O)N2)cc1C |
ZINC001719330075 | CCO[C@H](CC(=O)N1CC[C@@H]2CN(C(=O)C3(C)CC3)[C@@H]2C1)C1=CCCC1 |
ZINC001355166698 | Cn1nc(Cl)c(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1Cl |
ZINC001622076342 | CCOC(=O)c1cc(S(=O)(=O)N2CC[C@H](CO)[C@H]2C)c(F)cc1Br |
ZINC001090563930 | N#CCSCC(=O)N1CCCO[C@H](CNc2cnc(F)cn2)C1 |
ZINC000414770655 | C[C@@H]1CCN(Cc2ccc(OC[C@H]3CCCO3)cc2)[C@H](CN)C1 |
ZINC000315152517 | CC[C@@H]1CN(CCCc2cnn(C)c2)C(C)(C)CN1 |
ZINC001487409128 | CC1(CC(=O)NC[C@H]2C[C@H](NC(=O)c3cocn3)C2)CC1 |
ZINC001764016611 | CCC(CC)(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)=C(C)C1)OC |
ZINC001043893370 | N#Cc1sc(N2C[C@H](O)[C@H](NC(=O)c3ccc(F)cn3)C2)nc1Cl |
ZINC000328835893 | Cc1ccc(OCc2nnc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)n2C)cc1C |
ZINC000041224754 | CCOC(=O)N1CCN(C(=O)c2sc(COc3cccnc3)nc2C)CC1 |
ZINC000718495548 | CCCN[C@H](CC[C@H]1CO1)c1ccc(Cl)s1 |
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