zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000420095072 | CCCN(CC(C)(C)O)C(=O)C(=O)N[C@H]1CCCc2cc(N)ccc21 |
ZINC001747957748 | CN(C(=O)C(C)(C)C(N)=O)C1CN(C(=O)[C@@]2(C)C=CCC2)C1 |
ZINC000932458950 | Cc1nnc(CN[C@@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)o1 |
ZINC001836679402 | COc1cccc(C(=O)N2CCOC[C@@]3(CN(C(=O)Cc4ccc5c(c4)CCCO5)CCO3)C2)n1 |
ZINC000336679336 | CC[C@@H]1CN([C@H]2CCCNC2=O)C[C@@H](C)O1 |
ZINC000597181657 | COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cccc(OC)c2OC(C)C)C1 |
ZINC001061435209 | O=C(NC[C@@H]1CCCN1c1ncncc1Cl)C1CCC(F)CC1 |
ZINC000936066496 | COc1ccc(CC(=O)N(CCN2CCOCC2)[C@H]2CCSC2)c(C)c1 |
ZINC001845209475 | C=CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCCC12CN(C(=O)[C@H]1C[C@H]1C1CC1)C2 |
ZINC000484067456 | COc1ccc(F)cc1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 |
ZINC000418111479 | C[C@]1(O)C[C@@H](NCc2cccc(Cl)c2F)C1 |
ZINC001589085449 | C[C@H](N1CCN(C(=O)NC[C@H]2CCC3(CC(C(=O)O)C3)O2)CC1)C(F)(F)F |
ZINC001562836209 | CC(C)[C@H](CNC(=O)N[C@@H](c1ccccc1)C(F)F)c1ccccc1 |
ZINC001199851909 | O[C@H](CNCc1cccc(OCC(F)(F)F)c1)c1cccc(F)c1 |
ZINC001090867113 | COc1ccc([C@@H]2CN(C(=O)c3oc(C)nc3C)C[C@H]2NCC#N)cc1 |
ZINC001621562188 | c1ccc(Oc2cccc(N[C@@H]3CCCC34CCOCC4)n2)cc1 |
ZINC000183472764 | O=C(NCc1ccc(Cl)cn1)NC1CC1 |
ZINC000330835788 | COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)N(C)CCn1cccn1 |
ZINC001116382059 | COCCSc1ccc([C@H](C)NC(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)cc1 |
ZINC000246126417 | CNC(=O)[C@H](NC(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2)C(C)C |
ZINC001069179441 | CCCCC(=O)N1CCC(CC)(NC(=O)c2c[nH]c(=O)cn2)CC1 |
ZINC001388582759 | CCCN(CCNC(=O)Cc1cc(C2CC2)no1)C(=O)[C@H](C)C#N |
ZINC000183777959 | COc1ccc(CN2CCN(c3ccnc(C)n3)CC2)cc1Cl |
ZINC001835209986 | CN(CC(=O)N1CCO[C@]2(COCCN(C(=O)C[C@@H](N)c3cccnc3)C2)C1)C(=O)OC(C)(C)C |
ZINC000727008716 | CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1 |
ZINC000489715982 | Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NC[C@@H](CO)c1ccccc1Cl |
ZINC001796528680 | CC(=O)N/C(=C\c1ccco1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2c(Cl)cccn12 |
ZINC001421220590 | CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2c(C)noc2C)C1 |
ZINC000755975885 | CC(=O)N(C)C1CCN(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)CC1 |
ZINC001551511202 | O=C(N[C@H]1CC[C@H]2C[C@H]1CN2)N1CCO[C@H](Cn2cccn2)C1 |
ZINC001468267034 | C[C@@H](NC(=O)c1cc[n+]([O-])cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 |
ZINC001511992607 | C[C@@H]1C[C@@H](C)CN(c2nnc(-c3ccccc3F)n2CCNC(=O)C(C)(C)C)C1 |
ZINC000500869748 | CC(C)(C)[C@H](NC(N)=O)C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 |
ZINC000449930831 | Cc1cccc([C@@H](C)CNC(=O)CCc2ccc(C(N)=O)cc2)c1 |
ZINC000472775115 | Cn1nccc1CCN1CCC[C@H]1c1cccc2ccccc12 |
ZINC000475910028 | COc1c(C(=O)NC/C=C/c2ccccc2)cccc1[N+](=O)[O-] |
ZINC000773893453 | Cc1nc(COc2ccccc2C(=O)O[C@@H](C)COCc2ccccc2)no1 |
ZINC001155920435 | CC(C)(NC(=O)c1cnc2nccn2c1)c1cccc(F)c1 |
ZINC000477047831 | O=C(CN1CCc2cc(-c3ccccc3)oc2C1)NCC(=O)Nc1ccc(F)c(F)c1 |
ZINC000260549429 | CCOC(=O)c1nc(Br)c2c(O)cccn12 |
ZINC001277094341 | O=C(C[C@@H]1C=CCCC1)NCC1(NCCO[C@H]2CC2(F)F)CC1 |
ZINC001691347412 | Cc1cccc(C)c1CNCCN(C)C(=O)CN(C)C1CCC1 |
ZINC000982900284 | CC(C)c1ccc(C(=O)N2CC[C@@H](CNC(=O)c3cc[nH]c3)C2)s1 |
ZINC001589526887 | CC[C@H](CNC(=O)N1CCC(Oc2ncccc2F)CC1)C(=O)O |
ZINC000061359858 | Oc1ccc2c(c1)OC[C@H]2N[C@@H]1CCCc2sccc21 |
ZINC000440847033 | CCC(=O)N[C@H](C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2)c1ccccc1 |
ZINC001140308269 | COC(=O)c1cc(Cl)cc(NC(=O)c2cc(C)cnc2Cl)c1O |
ZINC001278096324 | CN1CCC(NC(=O)[C@@H]2CCC[C@]23CCN(C)C3)CC1 |
ZINC000593812624 | C[C@@H]1C[C@H](C(=O)NC2(CC(=O)OC(C)(C)C)CCC2)CO1 |
ZINC001231974329 | OC1CCN(Cc2ccc3ccnc(Cl)c3c2)CC1 |
ZINC001422631701 | Cc1[nH]ccc1C(=O)N[C@@H](C)CNCC(=O)Nc1nccs1 |
ZINC000837609720 | CCCn1cc(C(=O)OCc2ccn(CCc3ccccc3)n2)nn1 |
ZINC001571704550 | Cc1ccc(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)[C@@H](C)C#N)CC2)o1 |
ZINC000844004827 | C#CC[C@@H]1CCCN(C(=O)c2cccc3[nH]ncc23)C1 |
ZINC001274107819 | Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1 |
ZINC000809565186 | C(#Cc1ccccc1)CN1Cc2ccncc2C1 |
ZINC000559975993 | O=C(NCC1(c2ccc(F)cc2)CC1)C(=O)N1CCN(C(=O)CCC2CCCC2)CC1 |
ZINC001204694818 | FC1(F)C[C@H]2C[C@H]1CN2Cc1ccc(-c2cccc(Cl)c2)o1 |
ZINC000786721818 | C[C@H](OC(=O)c1coc(C2CCOCC2)n1)C(=O)N(C)Cc1c(F)cccc1Cl |
ZINC000616437343 | O=C(N[C@@H]1CCC[C@@H]1N1CC[C@H](O)C1)c1ncnc2sccc12 |
ZINC000712416033 | CS(=O)(=O)N1CC[C@H](CN[C@@H]2C[C@@H]3CCCC[C@@H]32)C1 |
ZINC001129698879 | COc1ccc(C(=O)N2CC[C@H](C(=O)N(C)C)C2)cc1S(C)(=O)=O |
ZINC001529426046 | C#CCOCCN(C)C(=O)CCCc1nc(CC)no1 |
ZINC001030132683 | CCc1noc(CN2CC(NC(=O)c3cncs3)C2)n1 |
ZINC001128417270 | O=C(C[C@@H]1C[C@H]1C1CC1)NCc1cnn2c1CN(CC1=CCCCC1)CC2 |
ZINC001200319580 | Cc1ccc(CNC(=S)NC[C@@H]2CCCOC2)cc1 |
ZINC001733725795 | C=CCCNC1(CNC(=O)[C@@H]2C[C@H]2C(C)C)CCC1 |
ZINC001590420976 | CC[C@H](CC(F)(F)F)NCc1cc(-c2nn[nH]n2)ccc1Br |
ZINC001262155001 | C[C@@]1(C2CCN(C(=O)C3CN([C@@H]4CCOC4)C3)CC2)NC(=O)NC1=O |
ZINC001078288196 | Cc1nc[nH]c1C(=O)N[C@@H]1CN(Cc2cc3n(n2)CCC3)C[C@H]1O |
ZINC000253378526 | COc1ccc([C@H](NC(=O)C2(CO)CC2)[C@H]2C[C@@H](O)C2)cn1 |
ZINC001086665480 | Cc1ncsc1CN[C@@H]1CC[C@H](CNC(=O)C2[C@H]3CCCC[C@H]23)C1 |
ZINC000791625662 | CC1(C)CCC[C@@H]1NC(=O)c1cc(Br)c(C(=O)N[C@H]2CCCC2(C)C)o1 |
ZINC001839722439 | Cc1c([N+](=O)[O-])ccc(F)c1C(=O)N1CCOC[C@]2(CN(C(=O)Cc3cc[nH]n3)CCO2)C1 |
ZINC001039227247 | Cc1nn(C)cc1CN1CC[C@@H]([C@@H]2CCCCN2C(=O)C(N)=O)C1 |
ZINC001074397471 | O=C(c1ccc(O)nc1)N1CC[C@@H]2OCCN(CCF)[C@H]2C1 |
ZINC000858852669 | Cc1cn2c(n1)C[C@@H](C(=O)N1CCC(c3cc4ccccc4[nH]3)CC1)CC2 |
ZINC000730166284 | COc1ccccc1C/C(C)=C\C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C |
ZINC001008125925 | CSCC(=O)N1C[C@H](NC(=O)c2cc(C)n(C)c2C)C(C)(C)C1 |
ZINC000274658146 | CCn1nc(C)c(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c1C |
ZINC000552470805 | O=C(N[C@@H]1CCN(C2CC2)C1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 |
ZINC000043198880 | O[C@@H]1C=CCC2(CCCC2)[C@]12CCCO2 |
ZINC000336144816 | CS[C@@H](C)C(=O)Nc1nc2c(s1)CSCC2 |
ZINC001141683675 | CC1(C)CN(C(=O)c2cscc2C(F)F)Cc2ccccc2O1 |
ZINC001617245454 | CCS(=O)(=O)C[C@H](C)NC(=O)c1ccc(Nc2ccc(OC)cc2OC)cc1 |
ZINC000800551755 | C[C@@H](CC(=O)NCCC(=O)NS(C)(=O)=O)NC(=O)OC(C)(C)C |
ZINC001236607484 | CN(Cc1ccc(F)cc1)Cc1nccnc1Cl |
ZINC001803165439 | CN1CCCC[C@@H]1C(=O)NC[C@H]1CCN(C(=O)c2cnc(O)c3ccn(C)c23)[C@@H]1c1cccnc1 |
ZINC000960012938 | O=C([C@@H]1CCOC1)N1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccoc1 |
ZINC000938460996 | COc1ccccc1C(=O)N1CC[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 |
ZINC000629308044 | CO[C@@H]1CN(S(=O)(=O)N2CCCC[C@@H]2C)[C@@](C)(C(=O)O)C1 |
ZINC000875330716 | CCSCC[C@@H](C)NC(=O)NCC[C@@H](O)C1CCCC1 |
ZINC001230521796 | CCCN1CCS(=O)(=O)[C@H](CCNC(=O)C[C@H](C)C(C)(C)C)C1 |
ZINC000734575376 | O=C(OCc1ccc2c(c1)CCC2)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F |
ZINC000011866877 | CCC[C@H](NC(=O)[C@@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3)C(C)C)C(=O)O |
ZINC000013147741 | CN(C)S(=O)(=O)c1cc(NC(=O)c2ccccc2CCc2ccccc2)ccc1Cl |
ZINC001758592600 | C=CCCCC(=O)N[C@@H]1CC12CCN(C(=O)[C@H](C)n1cccc1)CC2 |
ZINC001107493337 | O=C(NC/C=C/CNc1ncnc2scnc12)c1n[nH]cc1F |
ZINC001114964189 | C#CCC1(C(=O)N[C@H](C)CCCNc2cc(C)ncn2)CCCCC1 |
ZINC000455627595 | O=C(NCCOCC1CCCC1)N1CCC1 |
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