zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000188634257 | C[C@H]1CCCN(CCCCNC(=O)NCCc2ccc(F)c(F)c2)C1 |
ZINC001127491330 | Cc1cc(NC(=O)CCc2cccnc2Cl)nc(O)n1 |
ZINC000870004369 | CC(=O)COC(=O)c1cnc(F)cc1C |
ZINC000695569251 | CC(C)(C)OC(=O)N[C@](C)([C@H](O)c1cccc(OC2CC2)c1)C(F)(F)F |
ZINC000624625141 | NC(=O)[C@@H]1CC[C@H](c2nc(-c3cn(Cc4ccccc4)nn3)no2)O1 |
ZINC000582096828 | C[C@@H]1CCN(c2cc(C(=O)N3CC[C@@]4(CNC(=O)C4)C3)ccn2)C1 |
ZINC001155497206 | CCN(CC[C@@H]1CCCO1)[C@H](C)CNC(=O)c1cc(C)[nH]c1C |
ZINC001839519697 | CN(C)c1cccc(OCC(=O)N2CCOC[C@@]3(C2)CN(C(=O)c2cc4ccsc4[nH]2)CCO3)c1 |
ZINC000159228040 | C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN(Cc2nccn2C)CC1 |
ZINC001466171158 | COc1ccc([C@H](CN2CCCC2)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 |
ZINC001735997576 | C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CN(C)CC(C)(C)C)[C@@H]3C2)CCN1C |
ZINC000227209793 | Fc1cc(C(F)(F)F)ccc1NCC1CCSCC1 |
ZINC001639772961 | O=C(N[C@@H]1CCc2cc(O)ccc2C1)c1cnc2[nH]ncc2c1 |
ZINC000905552864 | COc1ccc(NC(=S)N[C@H]2C[C@H](S(C)(=O)=O)C2)cc1Cl |
ZINC000582641788 | COc1cccc2ncnc(N3CCOC[C@H](C4CCC4)C3)c12 |
ZINC000790065326 | O=C(COc1ccc(Br)cc1)NNC(=O)[C@@H]1COCCN1C1CCCC1 |
ZINC001536972540 | COc1cc(C)c([S@](C)=O)cc1OC(=O)/C=C/c1ccc(S(C)(=O)=O)o1 |
ZINC000383686250 | C=CCN(c1cc[nH]c(=N)n1)C1CCCC1 |
ZINC001599464212 | COc1cc2c(cc1F)CC[C@@H]2NS(=O)(=O)c1cc(F)ccc1C(=O)O |
ZINC001803122570 | Cc1nccn1[C@@H](C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1sc3nccnc3c1N)C2 |
ZINC000537906662 | CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N2CC=C(c3ccc(CC)cc3)CC2)cc1 |
ZINC001608403686 | O=C(N[C@@H](Cc1cncs1)C(=O)O)c1cncc2[nH]ccc12 |
ZINC000263786171 | CC(C)(C)OCc1cccc(CNC(=O)N2CCC3(CC2)OCCO3)c1 |
ZINC000331705572 | CCn1cc(S(=O)(=O)N[C@@H]2c3ccccc3C[C@@H]2C)c([N+](=O)[O-])n1 |
ZINC001638472047 | COCCN(CC#N)C(=O)/C=C\c1ccccc1OCc1ccccc1 |
ZINC001659461979 | CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1CCC(=O)Nc1ccc(Cl)cc1 |
ZINC001060369086 | Cc1nccc(N2CCC[C@@H]([C@H](C)NC(=O)c3[nH]c(C)nc3C)C2)n1 |
ZINC001579276497 | CN(c1ccc(-c2nn[nH]n2)nn1)[C@H]1CCN(C(=O)[C@H]2CCC2(F)F)C1 |
ZINC001488986522 | COc1ccc(C(=O)N2CC=C(CCNC(=O)[C@@H]3CCCO3)CC2)o1 |
ZINC001464029046 | COc1ccc(O)c(S(=O)(=O)N2CCc3ccc(Cl)c(Cl)c3C2)c1 |
ZINC001250312709 | Cc1cccc(Cc2ccncc2)c1O |
ZINC000077898941 | CCOC(=O)c1nnc2ccccc2c1N1CCC(CO)CC1 |
ZINC000268687294 | CCOc1ccc([C@@H](C)NC(=O)CN2C(=O)[C@@H]3CCCN3C2=O)cc1OC |
ZINC000236585036 | Oc1cccnc1-c1ccc(Br)c(Cl)c1F |
ZINC001793958121 | O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nnc2ccccc21)c1cnc2c(F)c(F)ccc2c1 |
ZINC001021511371 | Cc1cc[nH]c1C(=O)N1CC[C@H]2CN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)C[C@H]21 |
ZINC000771591629 | O=C(Nc1cn2cc(Br)ncc2n1)[C@@H]1C[C@@H]1c1cc(F)ccc1F |
ZINC001326294968 | C[C@H](CNC(=O)NOC1CCOCC1)CC(F)F |
ZINC000940665442 | C[C@@H]1CN(C(=O)c2cccn3c(O)nnc23)C[C@H]1NC(=O)[C@H]1CC12CC2 |
ZINC000438094730 | CS(=O)(=O)CCc1ccc(NC(=O)C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 |
ZINC001700753553 | C=C(C)CN[C@H](C)CN(C)C(=O)[C@H]1CN2CCC1CC2 |
ZINC000289050805 | CCOC1(c2nc(-c3ccc4c(c3)[C@@H](SC)C(=O)N4)no2)CCCC1 |
ZINC001797365307 | CC(C)OCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cnn2cccnc12 |
ZINC001186963450 | CC(C)(Cc1cccnc1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 |
ZINC001486956688 | C=CCCC(=O)N(C)[C@H](C)CNC(=O)CCc1cncn1C |
ZINC001448473301 | Cc1ncc(C(=O)N[C@H](C)CCNC(=O)c2cocn2)n1C |
ZINC001359110901 | C=C(C)CN(CC)c1nnc(-c2cn(C)c3ccccc23)n1Cc1nccn1C(F)F |
ZINC001675163770 | CC(C)(C)c1ccc(CNC(=O)N2CCC(NC(=O)c3ccsc3)CC2)c(O)n1 |
ZINC001711382191 | CNC(=O)CCCN(C)c1nnc(Cc2ccncc2)n1CC1C[C@@H](C)O[C@H](C)C1 |
ZINC000250298933 | CCCNC(=O)[C@H](C)N1[C@H]2CCC[C@H]1CC(NC)C2 |
ZINC000420466045 | CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@H]1CC[C@@H](CN)C1 |
ZINC001686766292 | CC(C)[C@H](F)C(=O)NCCNC(=O)C[C@H]1CCC(=O)N1 |
ZINC000275616170 | CCSc1cc(C(=O)N2CCN(Cc3nc(COC)no3)CC2)ccn1 |
ZINC001720061493 | O=C(C[C@@H]1CCCOC1)NCCNC(=O)[C@H]1CCNC(=O)C1 |
ZINC000890348306 | CNC(=O)COc1ccc(NC(=O)[C@]2(OC)CCSC2)c(C)c1 |
ZINC000719635175 | Cc1nc(CNc2ncc(N)cc2C(F)(F)F)sc1C |
ZINC001479508364 | Cc1ncoc1CNC(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 |
ZINC000618750091 | COc1cccc([C@@]2(C)CCN(C(=O)c3ccc4nccc(C)c4c3)C2)c1 |
ZINC000092144098 | Cc1cc(NC(=O)N(C)Cc2nccs2)c2ncccc2c1 |
ZINC001096940898 | CC(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cn(C)nn1)=C1CCCC1 |
ZINC000670878790 | COc1ccccc1CC(=O)N1CCC(OC)(c2nc(C3CC3)no2)CC1 |
ZINC000349890352 | CCOC(=O)c1cc(NC(=O)N[C@H]2CC[C@H](F)C2)cn1C |
ZINC000439163066 | COC(=O)c1ccc([N+](=O)[O-])c(N2CCO[C@H](c3cccc(O)c3)C2)n1 |
ZINC000985887158 | CC(C)CC(=O)N1CC[C@H](NCc2ccc(F)c(F)c2)[C@H]1C |
ZINC000130795936 | CC(C)Cn1ccnc1CNC(=O)c1csc(-c2ccoc2)n1 |
ZINC001013429696 | Cc1cncn1CC(=O)NC1[C@H]2CN(C(=O)[C@H]3CC[C@H](C)CC3)C[C@H]12 |
ZINC001726461924 | C[C@H]1CCCCN1CCCCn1c(-c2cccnc2)nnc1N1C[C@H](C)C[C@@H](C)C1 |
ZINC001701625683 | CCCn1nccc1C(=O)N(C)C[C@H](C)NC(=O)[C@@H]1CCO[C@H]1C1CC1 |
ZINC000631226322 | CCOC(C)(C)C(=O)NCCc1ccc(C)nc1 |
ZINC001594292430 | Cc1cc(C)c(C(=O)Nc2cncc(C(=O)O)c2)c(C)c1Br |
ZINC000864451856 | N=C(NCCN1CCOCC1)Nc1ccc(CCO)cc1 |
ZINC001020402616 | Cc1cc(CN[C@H]2C[C@H](NC(=O)c3cc(F)c[nH]3)C2)no1 |
ZINC000845719944 | Cc1ccc(NCc2ccc(CNC(=O)OC(C)(C)C)cc2F)nc1C#N |
ZINC001654191718 | Cc1ccc(NNC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)cc1 |
ZINC001709940891 | CCN(c1nnc(-c2ccc(OC)c(Br)c2)n1CCCn1ccnc1C)C1CC1 |
ZINC000049616977 | CN1CCCN(Cc2ccc(C#CCCO)cc2)CC1 |
ZINC000273190448 | COc1cccc([C@@H](CNC(=O)c2cnn(C)c2Br)N(C)C)c1 |
ZINC001606345227 | N#C[C@@H]1CN(S(=O)(=O)NCc2ccc(-c3nn[nH]n3)cc2F)CCO1 |
ZINC000036786886 | CC(C)[C@H](C)N(C)[C@@H](C)CN |
ZINC001341677533 | CC1CC(CNC(=O)C(=O)NC2CC3(CO[C@@H](C)C3)C2)C1 |
ZINC000946046775 | CC(C)=CC(=O)N1CC[C@H]2CN(C(=O)C3(C(C)(F)F)CC3)CC[C@@H]21 |
ZINC000804291713 | CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC[C@@H]3C[C@H]32)c1 |
ZINC000998333634 | C=CC(C)(C)C(=O)N1CC(NC(=O)Cc2c(C)nc(O)nc2O)C1 |
ZINC001616682535 | CCOCc1nnc(N(C)Cc2ccc(Br)cc2)n1Cc1cnn(C)c1 |
ZINC000272605307 | Cc1nc(Cl)ccc1CC(=O)NCC1(C)CCN(C)CC1 |
ZINC000598652994 | C[S@](=O)c1ccc(NC(=O)N2CC(Cc3ccsc3)C2)cc1F |
ZINC001769367294 | COCC1=CCN(c2nnc(-c3ccccc3)n2CCCCCN2CCCCC2)CC1 |
ZINC000228188104 | CSCCNc1ccc(C#N)c(Br)c1 |
ZINC001540477989 | CC1(CCC(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)CC1 |
ZINC001402476431 | C[C@@H](NCCN(CCO)C(=O)[C@H](C)c1ccco1)c1ccccc1 |
ZINC001589902666 | C[C@@H](Cc1ccno1)OC(=O)[C@H](C)Cc1ccc(-c2nn[nH]n2)cc1 |
ZINC001272961899 | CSCC(=O)N1CCn2cc(C(=O)NC3CCC(F)CC3)nc2[C@H]1C |
ZINC000949730396 | CC#CCN1CC(N(CC)C(=O)[C@H]2C[C@H]2OCC)C1 |
ZINC000950591752 | COc1nccc(C(=O)N[C@@H]2CN(C(=O)[C@H](C)C3CCC3)C[C@H]2C)n1 |
ZINC000412911678 | CCCNC(=O)c1cccc(C(=O)N=c2nc[nH]n2C(C)C)c1 |
ZINC001775950823 | CN1CC2(CCN(C(=O)c3ncccn3)CC2)C[C@@H]1c1noc(-c2ccccc2)n1 |
ZINC001749386286 | C=CC[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H]1C)c1ccccc1 |
ZINC001117508720 | Cc1ccc2c(c1)[C@H](NC(=O)C(=O)NCCOCCS(C)(=O)=O)CO2 |
ZINC001100468369 | CCc1nnc(N(CC)CCNC(=O)c2cncs2)nc1CC |
ZINC000416630736 | COC(=O)c1cc(F)ccc1S(=O)(=O)N1CCC[C@H](CO)[C@@H]1C |
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