zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000827319934 | COc1ccsc1C(=O)N1CC[C@H]2[C@@H](CCN2C)C1 |
ZINC001249047570 | NC(=O)[C@@H]1C[C@@H]1c1nc(-c2ccc(N3CCCCC3)cc2)no1 |
ZINC000722560794 | CC1(C)C[C@@H]1C[C@H](O)C1[C@@H]2COC[C@@H]12 |
ZINC001006165573 | CNC(=O)[C@@H](C)N1CCC(N(C)C(=O)c2ccncn2)CC1 |
ZINC001719443286 | CC(C(=O)NC[C@H]1CC[C@@H](NC(=O)c2cnc(O)n2C)C1)=C1CCCC1 |
ZINC000592460835 | CCN(C(=O)[C@@H](C)SCCC[C@@H]1CCOC1)c1ccccc1 |
ZINC001079861603 | Cc1nn(C)cc1CC(=O)N[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@H]1C |
ZINC001633969110 | CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])[C@H](c2cccnc2)C1 |
ZINC000853238009 | COc1ccccc1[C@H](O)CN[C@@H](C)Cc1ccc(C(F)(F)F)cc1 |
ZINC001767872785 | CCOCc1nnc(N2CC[C@H]3CCC[C@H]32)n1CC(=O)N1CCOCC1 |
ZINC000427353107 | COc1cc(C)cc(NC(=O)C(=O)N(C)CC2(O)CCCCCC2)c1C |
ZINC000439057947 | CCS(=O)(=O)N1CC(CNC(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)C1 |
ZINC001083586252 | Cc1nc2ccnn2c(C)c1C(=O)N[C@@H]1CN(CCCF)C[C@@H]1O |
ZINC001478421575 | CC1(C)CN(C(=O)N[C@@H]2COc3cc(F)cc(F)c32)C[C@@](C)(C(F)(F)F)O1 |
ZINC000173664230 | COc1ccc2c(c1)N(C(=O)OC(C)(C)C)C[C@@H](C)O2 |
ZINC000916414843 | C[C@@H]1CN(c2ccc(NC(=O)CCc3ncc(-c4ccccc4)o3)cc2F)C[C@@H](C)O1 |
ZINC000595727392 | COC(=O)C1CCN(C(=O)CN2CCOc3cc(Br)ccc32)CC1 |
ZINC001506559782 | Cc1cc(C(=O)NC[C@]2(C)CCN(C(=O)c3ncn(C)n3)C2)nn1C |
ZINC001214492814 | CCOc1ccccc1NC(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1 |
ZINC001517241618 | CN(C[C@H]1CCOC1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(C)(F)F)c1 |
ZINC000628222245 | Cc1cc(C)c(C(=O)N2CC=CCN2)c(C)c1 |
ZINC000328833531 | O/C(=N/CC1(N2CCOCC2)CCCCC1)N1CC[C@@H](C2CCOCC2)C1 |
ZINC001171488978 | C#CC[C@@H]1CCCN(Cc2ccccc2SCC)C1 |
ZINC000457926711 | Cc1ccccc1OCCNC(=O)N1C[C@@H](O)[C@@H](CO)C1 |
ZINC000473574157 | CNC(=O)c1cc2cc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)ccc2[nH]1 |
ZINC001474562766 | CC(C)(C)CCN1CC(C)(C)[C@@H]1C1CC1 |
ZINC000306923255 | O=C(Cl)c1c(F)ccnc1Cl |
ZINC001544028420 | CC(C)(Oc1ccc(F)cc1)C(=O)Nc1cc(Br)ccc1N1CCCC1 |
ZINC000803380072 | C[C@@H](C(=O)OCc1c(F)cc([N+](=O)[O-])cc1F)C1CCCC1 |
ZINC000655748139 | O=S1(=O)CCC[C@H]1CNCc1oc2ccccc2c1Br |
ZINC001075940926 | Cc1ccc(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CCCN2C)cn1 |
ZINC001300376394 | C#CCCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCOC(C)(C)C |
ZINC000359459259 | CCC[C@H](CCCS(C)(=O)=O)C(=O)N1CCC(C)(C2CC2)CC1 |
ZINC001719088883 | C#CCN1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)/C(C)=C\C)C2)CC1 |
ZINC001782884990 | O=C(NC[C@@]12CCCO[C@@H]1CCN(C(=O)CC1CCOCC1)C2)c1ccc2c(c1)CCCO2 |
ZINC000704462245 | CCN[C@@H]1CCN(CC(C2CCC2)C2CCC2)[C@@H](C)C1 |
ZINC001403115636 | C[C@@H](CNC(=O)C1=COCCO1)N(C)Cc1ncc(Cl)s1 |
ZINC000634489242 | O=C(c1cccc2nccnc12)N1CC[C@H](O)[C@@H]2CCCC[C@@H]21 |
ZINC000639400595 | COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3c(c2)OCCO3)c(Br)c1O |
ZINC000130150856 | CC(C)(C)CCN1C[C@H](C#N)CC1=O |
ZINC001418426993 | C[C@H](CCNC(=O)C(C)(C)C(F)(F)F)NCc1cncs1 |
ZINC001247199142 | O=C(CCc1nc(-c2cc(F)c(F)cc2Br)no1)Nc1nncs1 |
ZINC001029024957 | O=C(NC[C@@H]1CCN(CC2CCCCCC2)C1)[C@H]1CC12CCOCC2 |
ZINC001798812013 | CC(C)[C@H]1CC[C@H](C(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2c(Cl)cccc2Cl)CC1 |
ZINC001813667457 | CC(C)C1(C(=O)NC[C@H]2CCN(C(=O)/C=C/c3cccs3)[C@@H]2c2cccnc2)CCC1 |
ZINC001157769066 | COCCOCC(=O)N1CCCC[C@@H]1CN(C)CC(C)C |
ZINC000583451101 | CCN(C)C[C@H](O)CSc1nnc(-c2ccccc2F)n1C1CC1 |
ZINC000256038276 | CC(=O)c1ccccc1OC[C@H](O)CN(Cc1ccccc1)C[C@H]1CCCO1 |
ZINC001131053470 | CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)c1ccc(N2NC(=O)CCC2=O)cc1 |
ZINC000809554799 | CCOCCN(CC)Cc1cnc(C2OCCO2)s1 |
ZINC001755377946 | CCOCCN1CC([C@@H](C)NC(=O)C2CC3(C2)CS(=O)(=O)C3)C1 |
ZINC000883082149 | COc1ccc([C@H](OC)[C@@H](C)NCc2ccc3oc(=O)oc3c2)cc1 |
ZINC001740080246 | CCNC(=O)CC(=O)N1CC[C@H](NC(=O)C[C@H](C)C2CC2)[C@H]1C |
ZINC000726913840 | O=C([C@@H](OC1CCCC1)c1ccccc1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 |
ZINC001751605479 | Cc1cccc(-c2nnc(N(C)Cc3cnc(C)s3)n2Cc2ccc(C(N)=O)nc2)n1 |
ZINC000230168712 | Cc1ccccc1CC1=C[C@@H](N)CCCC1 |
ZINC000422869659 | CC(C)C[C@@](C)(CN)NC(=O)c1csc([C@@H]2CCCO2)n1 |
ZINC001598937693 | COC(=O)c1cc(NC(=O)CC2(CC(=O)O)CCCC2)c(O)c(OC)c1 |
ZINC000125556917 | CNc1ncnc(NCCOc2ccccc2)c1C |
ZINC000969875176 | O=C(N1CC[C@@H](NCc2nnsc2Cl)C1)[C@@]12CCCC[C@H]1C2 |
ZINC001430892722 | Cc1ccc(C)c(CC(=O)N2CC[C@H](CNC(=O)[C@@H](F)C(C)C)C2)c1 |
ZINC001285095477 | CC[C@@H](CNC(=O)CCN(C)C)NC(=O)[C@@H]1CCCCN(C)C1=O |
ZINC001165141452 | CCN(CC)c1cncc(N(C)CCN2CCCC2)n1 |
ZINC000051414385 | C[C@H](OC(=O)c1ccc(=O)n(C)n1)C(=O)Nc1ccc(F)c(F)c1 |
ZINC000264152239 | O=C(NCCCn1cccn1)N[C@H](c1ccccc1)C1CCC1 |
ZINC000900353386 | CCN(C(=O)c1csc(NC)n1)c1cccc(C)c1C |
ZINC000782971752 | CC(C)(C)OC(=O)N[C@H](CNC(=O)N1CCC[C@H](N2CCNC2=O)C1)c1ccccc1 |
ZINC000195096165 | Cc1cc(C(=O)N2CCC[C@@H]2C(=O)OCC(C)(C)CCC#N)ccc1[N+](=O)[O-] |
ZINC001083050841 | CCn1ncc(CN2C[C@H]3[C@@H](C2)OCCN3C(=O)Cc2cccnc2)n1 |
ZINC001542880212 | O=C(NCc1nc2ccccc2[nH]1)c1cc(Br)cc(F)c1O |
ZINC000049831988 | C[C@H]1Cc2ccccc2N1CC1(CN)CCCC1 |
ZINC000229484121 | CCN[C@@H](c1cc(C)cc(C)c1)c1ccc(F)c(OC)c1 |
ZINC000156571410 | CCN(C(=O)CCCOc1ccc(C(C)=O)cc1)c1ccc(C#N)c(Cl)c1 |
ZINC001784883200 | Cc1ccc(C(=O)NCC(=O)N2CCO[C@]3(CCN(C(=O)C4(F)CCC4)C3)C2)cc1 |
ZINC001428954190 | CC[C@@H](OC)C(=O)N(C)[C@@H]1CCCN(C(=O)c2cncc(F)c2)C1 |
ZINC001089306624 | CC1(C)C[C@@H](NC(=O)[C@H]2CCCO2)CCN(CCF)C1 |
ZINC001560140900 | CC(C)(C)OC(=O)N1CCO[C@]2(CCN(Cc3c(C#N)cccc3[N+](=O)[O-])C2)C1 |
ZINC001253961728 | COc1cccc(OC[C@@H](O)CN2CC[C@@H](N3Cc4c(F)cccc4C3=O)C2)c1 |
ZINC000961866580 | Cc1c(C(=O)N2C[C@H](O)[C@H](NC(=O)C3=COCCC3)C2)ccc2cncn12 |
ZINC000257335428 | CS(=O)(=O)N[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1O |
ZINC001323960886 | C=C[C@](C)(O)CC(=O)N[C@H](Cc1nc[nH]n1)c1ccccc1 |
ZINC000308787009 | c1nsc(O[C@@H]2[C@@H]3C[C@H]4[C@H](CN[C@H]42)C3)n1 |
ZINC000989056093 | C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(CC)o2)C1 |
ZINC000682947587 | CCn1ccc(CN(C)C(=O)CCC2CCCCC2)c1 |
ZINC000950948770 | CCc1ccc(C(=O)NC[C@@H]2CCN2C(=O)c2cccc(=O)n2C)o1 |
ZINC001025956959 | CCCC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)c1ccc3nccn3c1)C2 |
ZINC000556009925 | O=C(NCCOc1ncccc1Cl)C(=O)Nc1cc(F)cc(F)c1F |
ZINC000856441204 | O=C(NCCC(=O)N1CC2CC1(c1ccccc1)C2)OCC(F)(F)F |
ZINC000874605091 | C[C@@H](C(=O)N1CC[C@@H](c2cccc(Cl)c2)C1(C)C)c1cncnc1 |
ZINC000689665588 | CCOC(=O)[C@@H](CC)Nc1cc(F)c(Br)c(F)c1 |
ZINC000115668461 | Cc1cccc([C@@H](C)NC(=O)NCc2cccnc2N2CCN(C)CC2)c1C |
ZINC001365203492 | CCn1[nH]nnc1=NC(=O)N[C@@H]1CCCc2cnn(C(C)C)c21 |
ZINC001287467010 | C[C@H]1C[C@H](C(=O)NCCCOCCNC(=O)C(F)F)CCO1 |
ZINC000743692765 | Cn1cc([C@H](O)CNC(=O)NCC2(c3cccc(Br)c3)CCCCC2)cn1 |
ZINC001404722966 | O=C(CCc1cncnc1)N[C@H]1CCCN(CC2CC3(CCC3)C2)C1 |
ZINC000904712600 | C[C@@H](OCc1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)no1 |
ZINC001770554920 | COc1ccncc1Cn1c(COc2cc(C)cc(C)c2)nnc1N(C)Cc1ccoc1 |
ZINC000286547261 | CCOC1CC(C(=O)N[C@H](C)c2ccccc2)C1 |
ZINC001576216231 | C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1NCc1ccc(-c2nn[nH]n2)cc1 |
ZINC000744114800 | C[C@H]1CCC[C@@H](C(=O)NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)C1 |