zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC001387525939 | Cc1nocc1C(=O)NCCN(C(=O)Cc1cnn(C)c1C)C1CC1 |
ZINC000539011043 | C[C@H](CC(=O)N[C@H]1CCOC2(CCCCC2)C1)Cc1ccc(Cl)cc1 |
ZINC000189805786 | COC[C@@H](C)n1ccc(NC(=O)N(C)CC2CCCCC2)n1 |
ZINC000398564889 | CC[C@@H]1CN([C@]2(CN)CCS(=O)(=O)C2)C[C@@H](CC)O1 |
ZINC000044234091 | CCc1ccccc1OC[C@@H](O)c1ccc(C)cc1C |
ZINC000483741064 | C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)Nc1cc(S(C)(=O)=O)cc(C)c1C |
ZINC000372718722 | CCC(=O)N1CC[C@H](C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)C1 |
ZINC001430713133 | CC[C@@H](CNC(=O)[C@@H](C)C(C)C)NC(=O)c1cc2n(n1)CCC2 |
ZINC000066166180 | COC(=O)c1ccc(CN2C(=O)[C@]3(CC(C)=CC[C@@H](C)O3)c3ccccc32)cc1 |
ZINC001685248430 | CC[C@H](NC(=O)NCc1ncc(Br)cn1)c1cccc2ccccc12 |
ZINC001215471709 | O=C(O)c1cc(Nc2ccc(-c3cc(CO)on3)cc2)cc(F)c1F |
ZINC000511856192 | CC[C@@H](NC(=O)CCc1nc(O)c2c(C)c(C)sc2n1)c1ccc(Cl)s1 |
ZINC000048407313 | COc1ccc2c(ccn2C/C(O)=N/S(=O)(=O)c2ccccc2)c1 |
ZINC000838164254 | COc1ccc([C@@H](CO)CNC(=O)/C(C)=C/C(C)(C)C)cc1 |
ZINC000760810324 | CC(C)Cn1ncc(NC(=O)N[C@@H](C)C[C@@H](O)c2ccc(F)cc2)c1C(F)F |
ZINC000662188970 | C[C@@H](NC(=O)N1CC[C@@H](n2cncn2)C1)c1ccc2c(c1)CCCO2 |
ZINC001150412277 | CCN(CC)c1ccc2ccc(C(=O)N3CCC[C@](C)(CNC(=O)OC(C)(C)C)C3)cn12 |
ZINC001801139303 | Cc1c(F)cccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 |
ZINC000993027548 | CC(C)[C@@H](O)C(=O)N1C[C@@H]2CN(C(=O)c3ccc4occc4c3)C[C@]2(C)C1 |
ZINC000273865423 | O=C1C[C@H](c2noc(CCc3nnc(C4CCCC4)o3)n2)CN1CC1CCC1 |
ZINC000920092482 | CC(=O)OCCCS(=O)(=O)NCCN1CCC2(C1)OCCO2 |
ZINC000134477968 | CCc1nnc(NC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)s1 |
ZINC000970446122 | C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C1CN(Cc2csc(C3CC3)n2)C1 |
ZINC001614482149 | CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCOC2)CC1 |
ZINC000523392183 | N#Cc1ccccc1Sc1ccccc1C(=O)N1CCCN(C2CCCC2)CC1 |
ZINC001169802718 | C[C@H](CCCCBr)N[C@H](C)C1CCCC1 |
ZINC001845219073 | CC(C)(C)OC(=O)NC[C@H](C(=O)N1CC2(CCCN2C(=O)[C@H](F)Br)C1)c1ccccc1 |
ZINC000969897183 | Cc1ccoc1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]1(C)CCC[C@@H]1C |
ZINC000648061137 | COc1ccc(OC(F)F)c(CN2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 |
ZINC000178780323 | CN(C[C@H]1CCOC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O |
ZINC001222281932 | c1ccc(COc2cccc3c(CN4CCC[C@@]5(CCN5)C4)c[nH]c23)cc1 |
ZINC000154143222 | Cc1ccc(NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)cc1 |
ZINC001427528763 | CC[C@H](C)C(=O)N1CCC(NC(=O)CNS(=O)(=O)NC)CC1 |
ZINC001784942404 | CC(C)(C)CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)[C@H]3CCCN(Cc4ccccc4)C3)[C@H]2C1 |
ZINC000979635570 | Cc1noc(C2CC2)c1C(=O)N[C@H]1C[C@H](CNC(=O)C2=CCCC2)C1 |
ZINC001370058385 | C[C@H](CC(=O)N[C@H]1CCN(Cc2nn(C)cc2Cl)C1)C1CC1 |
ZINC001460655208 | CCc1ccccc1[C@H](CNC(=O)COCc1ccnc(OC)c1)NC(=O)OC(C)(C)C |
ZINC000045014477 | C[C@@H](CNc1nc(Cl)ccc1[N+](=O)[O-])N1CCCCC1 |
ZINC001468920182 | CC[C@H](C)[C@@H](C)NC(=O)N1CCc2cc(C(C)(C)C)ccc2C1 |
ZINC000871420271 | CCC(CC)(CC)C(=O)N1Cc2cccnc2N2CCC[C@@H]2C1 |
ZINC001536424044 | CCC[C@@H](C)CC(=O)N1CC(N(C)C(=O)c2nn(CC)nc2C)C1 |
ZINC000478125901 | CCn1c2ccccc2c2cc(NC(=O)C(=O)NC[C@@H]3CCc4ccccc43)ccc21 |
ZINC000268129349 | CO[C@H](CNC(=O)[C@H]1CCCc2[nH]ncc21)c1ccc(Cl)cc1 |
ZINC000831515762 | O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)c1conc1C(F)(F)F |
ZINC001551202898 | C[C@H]1CCN(C(=O)NCc2cnn(CC3CCC3)c2)C[C@H](C)O1 |
ZINC000653855177 | Cc1ccc([C@H](NCc2noc(Cc3ccccc3)n2)C(F)(F)F)o1 |
ZINC001252787953 | COc1cc(C#N)ccc1-c1nnc(-c2ccc(Cl)cc2)o1 |
ZINC001677096566 | CN(C[C@@H](O)CN[C@@H]1CCNC1=O)C(=O)C(=O)Nc1ccccc1 |
ZINC000226430040 | Cc1ccc(C(=O)[C@@H]2COCCN2)s1 |
ZINC001566094890 | C=CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2CCn3cncc3C2)[C@H]1C |
ZINC001720207264 | Cc1ccccc1OCC(=O)NCCNC(=O)C1(C(F)(F)F)CC1 |
ZINC000252582875 | O=C1Nc2cc(F)ccc2N2[C@@H]1C[C@@H]1CCCC[C@H]12 |
ZINC001199935368 | CCOc1ccc(NC(=O)N(C)C)cc1S(=O)(=O)Nc1cc(C)ccc1C(C)=O |
ZINC001783444715 | COC(=O)C12CC(C(=O)N3CC[C@@]4(CN(C(=O)[C@@H](N)CCC(N)=O)CCO4)C3)(C1)C2 |
ZINC000446933392 | Cc1ccc(CNC(=O)N(C)C2CC2)c(Oc2ccccc2)c1 |
ZINC000224550580 | Cc1cc(Br)c(F)cc1N1C(=O)NC(=O)C2(CCC2)C1=O |
ZINC001412356183 | COC(=O)c1cc(NC(=O)Cc2ccc(C#N)nc2)cc(F)c1Cl |
ZINC000967955724 | CCN(C(=O)[C@@H]1CC[C@H](C)C1)C1CN(C(=O)c2c[nH]c(C)cc2=O)C1 |
ZINC001735853075 | CCCSCC(=O)N1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)[C@H](C)C1 |
ZINC001551078813 | CN1C(=O)CCc2ccc(C(=O)NC[C@H]3CC[C@H](C4CC4)O3)cc21 |
ZINC001380469758 | CO[C@H](C(=O)NC[C@@]1(C)CCCN(Cc2cnn(C)c2)C1)C1CC1 |
ZINC001522273413 | C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C(N)=O)CC1 |
ZINC000799884493 | COc1cc(C(=O)O)ccc1NN=Cc1cccc(OC)c1F |
ZINC000019163209 | Cc1cccc(OCCCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c1 |
ZINC000687266493 | C[C@H]1CC[C@H](C(=O)N2OC3CCC2CC3)CN1 |
ZINC000732715267 | N#C/C(=C/c1ccccc1-n1cncn1)C(=O)N(CC(F)(F)F)C1CC1 |
ZINC001475752394 | CCc1ncc(CNS(=O)(=O)N(CC)C[C@@H](C)C#N)[nH]1 |
ZINC000316646929 | CNCc1c(C)nn(C)c1N1C[C@@H](CO)[C@@H](O)C1 |
ZINC000132574124 | COc1cccc([C@H](C)CC(=O)NNc2ncc(Cl)cc2Cl)c1 |
ZINC001369080021 | CCCC[C@](C)(F)C(=O)N[C@H](C)C1CN(Cc2csnn2)C1 |
ZINC000019708769 | CC(C)(C(=O)N1CCC[C@H]1c1ccc(C(=O)N2CCOCC2)cn1)c1ccc(F)cc1 |
ZINC000600007428 | COC(=O)c1[nH]c(C)cc1NC(=O)C(=O)N1C[C@H](O)[C@@H](O)C1 |
ZINC001637643023 | O=C(c1cn([C@@H]2CC[C@H]2O)nn1)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 |
ZINC001079489232 | CCN(C(=O)CCCC(C)(C)C)C1CN(C(=O)c2cncc(C)c2)C1 |
ZINC000279196839 | Cn1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c(=O)c2cnn(C)c21 |
ZINC000801107283 | Cc1ccc(NC(=O)C(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)cc1 |
ZINC001811137140 | Cc1nc(F)ccc1C(=O)NC[C@@H]1CCN(C(=O)CCc2ccc(O)nn2)[C@@H]1c1cccnc1 |
ZINC000206809166 | O=C(N[C@H]1CCN(c2nccs2)C1)c1cc(-c2ccccc2)on1 |
ZINC001642996982 | CC1(C)Cc2c(cnn2-c2ccccc2F)CN(c2ccc([N+](=O)[O-])nc2)C1 |
ZINC000982832806 | CCO[C@@H]1CN(C(=O)[C@@H](C)n2cccc2)C[C@H]1CNC(=O)c1ccccn1 |
ZINC001840274089 | CC(C)(C)c1cnc(C(=O)N2CCOC[C@]3(C2)CN(C(=O)C2CCC(O)CC2)CCO3)cn1 |
ZINC000456656406 | CC[C@H](NC(=O)CO[C@H](C)c1nccn1C)C1CCCC1 |
ZINC001472052074 | CCC(C)(C)CC(=O)N(C)C[C@H]1CCN1C(=O)OC(C)(C)C |
ZINC001253799714 | CCOC(=O)C[C@H](O)CN1CCC[C@@H](N2CC(NC(=O)OC(C)(C)C)C2)C1 |
ZINC000043571044 | Nc1ccc(C(=O)NCCSc2ccccc2)c(F)c1 |
ZINC001235057694 | CN1CCO[C@H]2CN(Cc3cc(Br)cc(F)c3O)C[C@H]21 |
ZINC000059424041 | COc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cnoc3C)cc2)cc1Cl |
ZINC000927566951 | O=C(NC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1c(Cl)cccc1Br |
ZINC000409261425 | CCCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)c(O)c(OCC)c2)cc1 |
ZINC000565562244 | O=C(NCCCc1ccc(O)cc1)N[C@@H](CO)c1cccc(Cl)c1F |
ZINC001498570084 | CN(CCCNCc1cncn1C)C(=O)c1coc(C(F)(F)F)n1 |
ZINC001693770954 | C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CCOC[C@@H]2C)C[C@@H](C(F)(F)F)O1 |
ZINC001513451416 | CC(C)SCC(=O)N[C@@H]1CN(C(=O)[C@H]2CCCN2C(C)C)C[C@@H]1O |
ZINC000199742680 | CCN(CCOC)C(=O)CNC(=O)OCc1ccccc1 |
ZINC000381586727 | N#Cc1c(Cl)nsc1NCc1ccsc1Br |
ZINC001519682488 | CCOCCOCCN(C)c1nnc(-c2c3ccccn3c(=O)n2C)n1C |
ZINC000248058553 | CN(CC(=O)N1CCOCC1)Cc1ccc2c(c1)OCO2 |
ZINC001237494816 | CS(=O)(=O)N1CCC2(CCN(Cc3cc(Cl)nc(C(F)(F)F)c3)CC2)CC1 |
ZINC000093687077 | C[C@@H](NCc1cc(C(N)=O)cs1)c1cccc(O)c1 |
ZINC001094637486 | Cc1nc2c(c(NCCCNC(=O)[C@H]3CCC3(F)F)n1)CCCC2 |
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