zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC001453346260 | CCC1(C(=O)NC2(CNC(=O)C3=CCCC3)CC2)CCOCC1 |
ZINC001152059672 | CC[C@@H](C)CNCCNC(=O)c1cccc(OCCOC)c1 |
ZINC001202988527 | COc1cncc(Nc2cc(F)cc(C(=O)N3CCOCC3)c2)c1 |
ZINC000985883534 | C[C@H]1[C@@H](NCc2cnon2)CCN1C(=O)c1ccccn1 |
ZINC000734484122 | CCc1cc(NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)ncn1 |
ZINC001737857999 | CCCN(CCNC(=O)c1cnn(C)c1N)C(=O)[C@@H]1C[C@H]1CC(C)(C)C |
ZINC001199590282 | Cc1ccc(N(C)C(=O)Nc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)c(C)c1 |
ZINC000408171795 | COC1(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)CCC1 |
ZINC000183782507 | C[C@](O)(CNS(=O)(=O)Cc1ccc(Cl)nc1)c1cccc(Cl)c1 |
ZINC001520110122 | C[C@H]1C(=O)CC[C@@H](C(=O)OCCCN(C)CC(F)(F)F)C1(C)C |
ZINC001112816022 | CCc1cc(NCC2CC(NC(=O)CSC)C2)nc(C)n1 |
ZINC000355248335 | COCCN1C(=O)CCc2cc(NC(=O)C[C@@H]3C[C@H]3C)ccc21 |
ZINC001076600760 | CCn1c(C(=O)N2CC[C@H]3CN(Cc4cnon4)C[C@H]32)cc2ccccc21 |
ZINC000626002981 | Cc1ccccc1-c1noc([C@H](C)N2CCO[C@H](CCF)C2)n1 |
ZINC001056226196 | Cc1ncc(C)c(N2C[C@@H]3C(NC(=O)c4ccc(C5CC5)cc4)[C@H]3C2)n1 |
ZINC000538713635 | CCOc1ccc([C@H](N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c2ccccc2Cl)cc1 |
ZINC001515106359 | Cc1ccn2ncc(C(=O)NC[C@H]3CC[C@@H](NC(=O)[C@@H](C)C(C)C)C3)c2n1 |
ZINC001131928542 | CC[C@@H](Cc1cn(C)c2ccccc12)NC(=O)C1CC(C)(C)C1 |
ZINC001831274540 | CNC(=O)CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(Cl)nc(OC)c3)C2)C1 |
ZINC000232126652 | CO[C@@H](CNC(=O)[C@@]1(C)CCCN1)CC(=O)O |
ZINC001776295574 | CC(C)(CNc1nc(C(=O)O)ccc1[N+](=O)[O-])c1ccccc1Cl |
ZINC001482906944 | CCN(CCN[C@H](C)c1nc(C2CC2)no1)C(=O)c1ccc(C)s1 |
ZINC000397495780 | CCN(C[C@@H]1CCCO1)C[C@H](C(=N)NO)C(C)C |
ZINC000816867967 | CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2NC(=O)c1cccc2nccn12 |
ZINC001062048671 | CC(C)OCC(=O)N1CCCC[C@@H]1CNC(=O)C(C)(C)C(C)C |
ZINC001475141272 | CCNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)N=S(=O)(CC)CC)C1 |
ZINC000632005530 | Cc1ccccc1-c1noc(-c2cn3c(n2)C[C@H](C)CC3)n1 |
ZINC000989320664 | Cc1ccc(OCC(=O)N2CC[C@H](NC(=O)c3nc[nH]n3)[C@H]2C)cc1 |
ZINC000277919155 | CC[C@](C)(NC(=O)c1sc(Br)cc1[N+](=O)[O-])c1nccs1 |
ZINC001663255752 | O=C1CCc2cc(Cl)c(S(=O)(=O)NC[C@@H](O)c3ccc(Cl)c(Cl)c3)cc2N1 |
ZINC001724492922 | Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2Cc2ncccc2C)n1 |
ZINC001698504148 | NC(=O)CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 |
ZINC000482076299 | CCn1cnnc1-c1cccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)c1 |
ZINC000538165457 | CCOc1ccc([C@@H](C)NCc2ccc3oc(C(=O)OC)cc3c2)cc1OCC |
ZINC001277924005 | Cc1cc(CN2CC[C@@H]3C[C@@]32C(=O)Nc2nccn2C)nn1C |
ZINC001426416212 | CO[C@H]1CCC[C@@H]1C(=O)NCC1(CCNC(=O)C(C)C)CC1 |
ZINC000568772708 | Cn1cc(C[C@@H]2CCN(c3nnc(Cc4ccccn4)n3C3CC3)C2)cn1 |
ZINC000570542600 | O=C(CCOCC(F)(F)C(F)F)Nc1nnc(C2CCOCC2)s1 |
ZINC000982106831 | COc1ccc(C(=O)NC[C@H]2CC[C@@H](NC(=O)Cc3[nH]cnc3C)C2)cc1 |
ZINC000898755488 | CO[C@@]1(C(=O)N2CCC[C@H](n3ccnn3)CC2)CCSC1 |
ZINC001132827893 | C#CCCNC[C@@H]1CN(C(=O)c2cnn(CCOC)c2C)CC[C@H]1C |
ZINC000645267304 | OC[C@@]1([C@H](NCc2nnnn2-c2ccc(Cl)cc2C(F)(F)F)C2CC2)CCCO1 |
ZINC001422590185 | C[C@H](CNCC(=O)NC(N)=O)NC(=O)c1ccc2cnccc2c1 |
ZINC001848313479 | COC[C@@H](NC(C)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cncc(N(C)C)c1 |
ZINC001099882628 | C[C@@]1(C(=O)NCCC[C@@H]2CCCN2c2ncccn2)CCNC1=O |
ZINC001591905268 | CC(C)[C@H](NS(=O)(=O)c1cc(Cl)ccc1C(=O)O)[C@H](O)C(F)(F)F |
ZINC000189511352 | COc1ccc(C(=O)NNc2ncnc3ccsc23)c(OCCC(C)C)c1 |
ZINC001815465142 | O=C(CCc1ccsc1)Nc1nc2c(s1)C[C@@H](NC(=O)CC[C@H]1CCOC1)CC2 |
ZINC001465383944 | CCC[C@@H]1CCCN(C(=O)Nc2ccc(O[C@H](C)CC)cc2)C1 |
ZINC000588324562 | O=C(Nc1ccc(NC(=O)C2CC2)cc1)C(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1 |
ZINC001177742383 | CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H](NC(=O)Cn3nnnc3S)CO2)C1 |
ZINC001745246604 | CN(CCNC(=O)[C@]1(C)CCC(=O)N1)C(=O)C(F)=C1CCCC1 |
ZINC000296309269 | CCNC(=O)Nc1cccc(NC(=O)C(=O)Nc2ccc3c(c2)CCCC3)c1C |
ZINC000948840728 | CC(C)c1ncsc1C(=O)N(C)[C@@H]1CCCN(CCF)CC1 |
ZINC001249676805 | CS(=O)(=O)CCn1cc(Nc2ccc(OC(F)(F)F)c(Br)c2)cn1 |
ZINC000786092356 | N#Cc1ccc(C(=O)O[C@@H]2CCN(c3c(F)cccc3F)C2=O)[nH]1 |
ZINC001503483352 | CN(Cc1ccccc1Br)c1nnc(-c2cccnc2)n1C[C@H]1COCCO1 |
ZINC000648992393 | CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCN(C)C1=O |
ZINC000637054339 | CSc1ccc(C)c(C(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)c1 |
ZINC001208965676 | CC(=O)N1CCC[C@H](CN(C)CCCC(=O)c2cccnc2)C1 |
ZINC001352362243 | Cc1nccnc1N1CCN(c2nnnn2C[C@]2(C)CCCS2)CC1 |
ZINC000312493010 | CSCCCN(C)[C@H](CN)c1ccc2c(c1)CCN2C |
ZINC001541241869 | CC(C)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1)c1ccccc1F |
ZINC001430794796 | CC(C)[C@H](C)CC(=O)NC[C@@](C)(NC(=O)c1ccc(F)cn1)C1CC1 |
ZINC001098315324 | C[C@@H](CNC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)Nc1ccc2nnnn2n1 |
ZINC001030209593 | CN(C(=O)CN1CC(NC(=O)c2ccnc(O)c2)C1)C1CCCCC1 |
ZINC001653108331 | CCNc1ccc(NC(=O)[C@@H](C)c2ccc(CC)cc2)cn1 |
ZINC000785946602 | COC(=O)[C@H]1CCC[C@H](OC(=O)c2sc(-c3ccccc3)nc2C)C1 |
ZINC001554989776 | COc1cccc([C@@H](C)N2CCN(c3nnc(C(=O)NC(C)C)n3CCN3CCC[C@H]3C)CC2)c1 |
ZINC001684475814 | Cc1ccc(F)cc1NNC(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 |
ZINC001647836513 | Cc1ccccc1-c1nc(C(=O)N[C@@H]2C[C@@H](N(C)C)C23CCC3)cs1 |
ZINC001214913315 | NC(=O)c1ncc(Nc2cc(F)c(C(N)=O)c(F)c2)cn1 |
ZINC000687358504 | Fc1cccc(F)c1C[C@H](Cl)[C@@]12CCC[C@@H]1OCC2 |
ZINC000280867600 | CC(C)[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)C |
ZINC000980700087 | C[C@@H]1C[C@@H](CNCC2CC2)CN1C(=O)c1ccnc2c1ncn2C |
ZINC000719642662 | Cc1sc(CN[C@@H]2CCN(C)[C@H]2C)cc1Br |
ZINC001708734683 | CCC(CC)NC(=O)c1nnc(N2CCc3oncc3C2)n1Cc1ccc(C)cc1F |
ZINC000519649930 | CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)N1CCn2nncc2C1 |
ZINC000260534792 | CC(C)[C@H](CC#N)[C@@H]1CCCNC1=O |
ZINC000520257008 | Cc1ccc(OCCC(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)c(C)c1 |
ZINC000894701577 | O=C(c1csc(I)n1)N1CC[C@@H]([C@H]2CCCO2)C1 |
ZINC001617752050 | CN(c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)N1CCSCC1)C1CCCCC1 |
ZINC001785301335 | COC(=O)[C@@H]1CC[C@@H](C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)CCc4ccc(C)cn4)[C@H]3C2)C1 |
ZINC000707188669 | C[C@]12CCCC[C@H]1CN2Cc1ncccc1C(=O)NN |
ZINC001345465043 | O=C(N[C@@H]1CCN(C2CC2)C1)C(=O)N1CC[C@H]2OCCC[C@@H]2C1 |
ZINC000334249442 | CC(=O)NC1CN(C(=O)N[C@@H]2CCC[C@H]2C)C1 |
ZINC000283436036 | C[C@@H](Cn1cncn1)NC(=O)C(=O)NCCCN1CCCCC1 |
ZINC000990129376 | Cc1cccc(C(=O)NC2CN(C(=O)[C@@H]3CCc4nn[nH]c4C3)C2)c1 |
ZINC000133270761 | CCCC[C@H](COC)NC(=O)N1CCN(c2ccc(Cl)cn2)CC1 |
ZINC000796623395 | NC(=O)c1ccc(NC(=O)Nc2ccc(CC[C@@H](O)c3ccccc3)cc2)cc1 |
ZINC000272854756 | CCN(C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O |
ZINC001574260861 | CC(C)N(C)CC(=O)NC[C@@H](C)N(C)c1nc(Cl)c(-c2nn[nH]n2)s1 |
ZINC000532587059 | CC(C)CN(C(=O)CN1C[C@@H](C)C[C@H]1C)C(C)C |
ZINC000229555612 | CCCCCO[C@@H]1CCN[C@@H](C)C1 |
ZINC000758731083 | CCN(Cc1nc(O)c2ccccc2n1)C(=O)NC1COC(C)(C)OC1 |
ZINC001633253392 | CO[C@](C)(CNC(=O)NCCc1cccc(OCc2ccccc2)c1)c1ccccc1 |
ZINC000043493247 | CN(Cc1ccc(F)cc1F)C(=O)CCSc1ccccc1 |
ZINC000731470281 | CN(C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)C1 |
ZINC001737509371 | CCC(CC)(CC)C(=O)N1CCCC[C@H]1CNC(=O)C1(CF)CC1 |
ZINC001644173187 | COc1ccc(OC)c2sc(NC(=O)C[C@H](C)C(=O)c3ccc(Cl)cc3)nc12 |
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