zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC001454089170 | CCCN(C(C)=O)C1CCN(C(=O)c2cc(-c3ccco3)on2)CC1 |
ZINC000677475229 | NC(=O)c1cc(C(=O)Nc2cccc3c2CN(c2ccccn2)C3)c[nH]1 |
ZINC001595838115 | C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCNC(=O)CC1 |
ZINC001826666859 | O=C(CSc1nc[nH]n1)Nc1nc2c(s1)C[C@@H](NC(=O)CCn1c(=O)oc3ccccc31)CC2 |
ZINC001740864655 | C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(c2ccnn2C)CC1 |
ZINC001161672788 | CN(C)CCNc1ccccc1C(=O)N[C@H]1CC[C@H](N)CC1 |
ZINC001241589962 | CCCOc1cccc(-c2ccc3cccnc3c2)c1 |
ZINC001315212477 | CO[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1)C1CC1 |
ZINC001633136348 | O=C(c1sc2ncccc2c1Cl)N1CCCc2cccc(O)c21 |
ZINC001404839140 | CO[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)c2ccccc2F)C1)C1CCC1 |
ZINC000160243191 | Cc1cccc([C@H](C)N[C@H]2CCCCC[C@H]2C#N)c1 |
ZINC000287421652 | CC1(C)CN(C(=O)Nc2cc3n(n2)CCCC3)CCS1(=O)=O |
ZINC001228287128 | CC(=O)c1cccnc1O[C@H]1CCc2c(Cl)ccnc21 |
ZINC001742394124 | Cc1ccccc1-c1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CC(=O)N(C)C |
ZINC000158009789 | COC(=O)C1(C(=O)N[C@H](C)c2ccc(C)o2)CC1 |
ZINC001455460148 | CCc1cnc(O)c(C(=O)N(C)CCNC(=O)CCN(C)CC)c1 |
ZINC001791168496 | Cc1cnc(Cl)c(C(=O)NC2(c3ccc(NC(=O)C4CCC5(CC4)OCCO5)cc3)CCC2)c1 |
ZINC001504382873 | COc1ccccc1-c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C |
ZINC001481319054 | CN(CCNCC1CCC(C(C)(C)C)CC1)C(=O)Cc1ccc[nH]1 |
ZINC001493544469 | C[C@H]1CCC[C@@H](N(C)c2nnc(CCc3ccccc3)n2CC(C)(C)N2CCOCC2)C1 |
ZINC000486727524 | COCc1cnc(NC(=O)N2CCN(C(=O)CCc3ccc(OC)cc3)CC2)s1 |
ZINC000154748697 | C[C@@]1(CNC(=O)CCNC(=O)c2[nH]nc3ccccc23)CCCS1 |
ZINC001354849661 | CCc1onc(C)c1CNC(=O)C(=O)NC[C@@H]1C[C@H]2C[C@H]1[C@@H]1C[C@@H]21 |
ZINC000790578603 | C[C@](O)(Cn1ccccc1=O)C(=O)NCCNc1ncccc1C#N |
ZINC001213521140 | Cc1cc(C)c(Nc2ccc(Br)cc2OCCN(C)C)cn1 |
ZINC000671109428 | Cc1csc(CCNC(=O)C(=O)N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)n1 |
ZINC001382928985 | CCC[C@@H](C)CC(=O)NC[C@H](C)N(C)C(=O)c1c2c(nn1C)CCC2 |
ZINC001576739225 | CC1CCN(c2ccc(F)cc2NC(=O)c2cn(C3CNC3)nn2)CC1 |
ZINC001712209715 | COCc1ccc([C@H]2CCCN2c2nnc(C)n2Cc2ccc(C(=O)NCC(N)=O)cc2)o1 |
ZINC001282274310 | C[C@@H](CC(=O)N(C)C1CCC(NCCCF)CC1)n1cccc1 |
ZINC001006484692 | CN(C(=O)[C@]1(C)C[C@H]2CC[C@H]1C2)C1CCN(Cc2nnn(C)n2)CC1 |
ZINC000445084706 | O=C(NC[C@H]1CCCN1Cc1ccccc1)C(=O)Nc1ccc(OC2COC2)cc1 |
ZINC000404851261 | CC(CO)(CO)NC(=O)[C@@H](CN)CC1CC1 |
ZINC000586560321 | Cc1cc(C(=O)Cn2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2=O)ccc1F |
ZINC001685549318 | CCCN(C(=O)NCc1cnn(CCF)c1)[C@H]1C[C@H](OCC)C1(C)C |
ZINC001237045111 | CCOc1ccc(CN2CC[C@H](O)C[C@H]2C)c(O)c1 |
ZINC001798099983 | O=C(O)c1cnncc1C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1)C2 |
ZINC001079062919 | CCCn1cc(C(=O)N2CCC[C@@H](N(C)C(=O)[C@@H](C)C#N)CC2)cn1 |
ZINC000694123402 | C[C@H]1CC[C@@H](C)C[C@]1(CN)N(C)C[C@@H]1CCCS1(=O)=O |
ZINC001316468412 | CSCCCN(C)c1nnc(Cc2cccnc2)n1CCC1=CCCCC1 |
ZINC001253441088 | CC(C)(C)OC[C@@H](O)CNCCCc1cncc(C(F)(F)F)c1 |
ZINC001628698371 | COc1ccccc1[C@H](NC(=O)C1CN(C2CCOCC2)C1)c1ccccc1Cl |
ZINC001111480381 | CC(C)OCCCN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]21 |
ZINC000489481815 | C[C@@H](CO)N(C[C@H](C)c1ccccc1)C(=O)c1cc(-c2ccncc2)on1 |
ZINC000001686375 | O=C(O)/C=C(\Oc1ccccc1)c1ccccc1 |
ZINC001412920439 | CC[C@H](C)n1ncc(NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)c1C |
ZINC001802922421 | Cc1cnn([C@H](C)C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2c(C)noc2C)C3)c1 |
ZINC001505949155 | Cc1nnc2n1C[C@H](C(=O)NC1(CNC(=O)CC(C)(C)C)CC1)CC2 |
ZINC000164468110 | Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCn1cc([N+](=O)[O-])cn1 |
ZINC001663552185 | O=C(NC[C@@H]1CCN(CCOC[C@@H]2CCCO2)C1)c1cnccn1 |
ZINC001143853470 | COc1ccc(N2CCN(Cc3cc(F)c(OC)c(Cl)c3)CC2)nc1 |
ZINC001438833953 | CCCn1ncc(C(=O)NC[C@H](NCc2nocc2C)C(C)C)c1C |
ZINC000188234624 | CC[C@]1(C)CN(C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)CCO1 |
ZINC001481267601 | C[C@H]1CN(C(=O)CNCCN(C)C(=O)CCCC2CC2)C[C@H](C)O1 |
ZINC000526514544 | COc1cccc(C2=C(O)C(=O)N(c3cccc(C#N)c3)[C@H]2c2coc3ccc(F)cc3c2=O)c1 |
ZINC000190129637 | COc1ccc(-c2noc(-c3c(C)ccn3C)n2)cc1OC |
ZINC000914818661 | CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 |
ZINC000652315394 | CC1(C)CN(C(=O)C2(n3cnnn3)CCCCC2)[C@@H]1c1cccnc1 |
ZINC001769152334 | COCC(=O)N1CCN(c2nnc(CCCc3ccccc3)n2C[C@H](C)c2nc(C)cs2)CC1 |
ZINC000766556984 | C[C@H](O)C[C@@H]1COCCN1C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 |
ZINC000332729727 | O=C(CCc1ccnc2ccccc12)NC[C@H]1CCC2(CCOCC2)[C@H]1O |
ZINC000790082515 | CCn1cccc(CNC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c1=O |
ZINC001001076630 | C[C@@H](CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cccnc1)C1CC1 |
ZINC001055990524 | C/C=C(\C)C(=O)N1CCC[C@](CO)(NC(=O)C[C@H]2C=CCCC2)C1 |
ZINC001705358744 | C#CCN(C(=O)[C@@H](C)CC)C1CCN(C(=O)c2[nH]c(C)nc2C)CC1 |
ZINC001160647514 | C#C[C@](C)(N)C(=O)N1CCN2C(=O)CC[C@@H]2C1 |
ZINC001457829261 | O=C(Cc1cnn(-c2ccccc2)c1)NC1CCN(Cc2ccc(Br)cc2)CC1 |
ZINC001359332325 | C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 |
ZINC001826814700 | NCC(=O)N1CCCC[C@@H]1C1CCN(C(=O)c2ccccc2C2CC2)CC1 |
ZINC001319064493 | CC(=O)N1Cc2ccc(NC(=O)N[C@H](C)c3noc(Cc4ccccc4)n3)cc2C1 |
ZINC000950636125 | C[C@@H]1CN(C(=O)C[C@@H]2NC(=O)NC2=O)C[C@H]1NC(=O)c1ccccc1 |
ZINC001069778321 | C=CCCOCC(=O)N1CC[C@]2(CCCN(C(=O)[C@@H](C)C#N)C2)C1 |
ZINC001710404514 | CCO[C@@H](CCn1c(-c2ccccc2OC)nnc1N1CC[C@H](OC)C1)C(C)C |
ZINC001552534144 | COc1nc(C)cc(C)c1CNC(=O)[C@H]1CCCC[C@@H]1N1CCCC1=O |
ZINC001496721291 | CCc1[nH]nc(Cl)c1C(=O)N(C)CCN(C)C[C@H](CC)OC |
ZINC000053570690 | O=C(CSc1nnc(NC2CC2)s1)NCCc1c(F)cccc1F |
ZINC000688160023 | C[C@@H]1COC[C@H]1N(C)C(=O)c1cccc2c1OCCN2 |
ZINC000888079484 | C[C@@H]1C[C@H](Nc2ncc(N)s2)CCS1 |
ZINC001842453682 | Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC12CN(C(=O)[C@H](C)c1ccc(O)cc1)C2 |
ZINC001408618123 | Cc1cc(C)c(C(=O)NCCN(C)C(=O)Cc2ccc(F)cc2)[nH]1 |
ZINC000232210752 | CC[C@@H]1CN(CCOCCCOC)CC[C@@H]1NC |
ZINC001492043106 | CCCN[C@H](C)CCNC(=O)c1cc(C(F)F)ncn1 |
ZINC000739679905 | CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)NNC(=O)Cc1c[nH]c2ccccc12 |
ZINC001320547632 | CC(C)(C)c1nnc(NC(=O)C(=O)NNc2ccc(-n3cccn3)nn2)s1 |
ZINC001572393944 | C#CCCCCC(=O)N1C[C@H](NC(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1C |
ZINC000484727445 | CC(=O)Nc1nnc(SCc2ccc(Br)c(F)c2)s1 |
ZINC000224219959 | O=C(Nc1ccc(Cl)nn1)[C@@H]1CNc2ccccc21 |
ZINC000858903497 | CCOC(=O)N[C@H]1CCCN(S(=O)(=O)C[C@@H](OCC)C2CC2)C1 |
ZINC000057305665 | O=C(NCCc1ccco1)NCc1cccc(C(=O)NCc2ccco2)c1 |
ZINC000573023718 | C[C@@H](C1CC1)[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)O |
ZINC000632716777 | CO[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](Oc3ncccc3F)C2)[C@@](C)(CO)C1 |
ZINC000735583228 | CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)NC(C1CCCC1)C1CCCC1 |
ZINC001636509728 | CC(C)[C@H](NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1(CO)CCC1 |
ZINC001432577929 | CC[C@H](CNC(=O)COC)NC(=O)C1(CC)CCCC1 |
ZINC000152187654 | CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H](C)CC1(C)OCCO1 |
ZINC001136866992 | CCOC(Cn1cc(C(=O)N2CCC[C@H]2c2cccc(N(C)C)c2)cn1)OCC |
ZINC000179242171 | COc1c(C)ccc(NC(=O)N2CCC[C@@H]2C[C@H](C)O)c1C |
ZINC000956848055 | C[C@@]1(NC(=O)c2cncnc2)CCN(C(=O)C2CCC(F)CC2)C1 |
ZINC000019121877 | Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)Cc2ccccc2)on1 |
ZINC000298653185 | CS(=O)(=O)C[C@@H]1CCCN(C(=O)COc2cccc3ccccc23)C1 |
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