zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000529690841 | CC(C)CN(Cc1cccc(C(F)(F)F)c1)C(=O)CN1CC(=O)NC1=O |
ZINC001392804255 | Cc1ncc(CNC[C@@H](NC(=O)[C@@H]2COc3ccccc32)C2CC2)o1 |
ZINC000856316400 | CC(C)[C@@H](NC(=O)[C@H](C)CS(C)(=O)=O)[C@H](O)c1ccc(Cl)cc1 |
ZINC001103896341 | CCC(=O)NCC(=O)NC[C@@H](C)CNc1ncnc2c1nnn2C |
ZINC001359505057 | CC(C)(C)c1nnc(N2CCC(CCC(N)=O)CC2)n1Cc1ccnc(OC2CCOCC2)c1 |
ZINC000804318862 | Cc1cc2c(cc1C)N(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC2 |
ZINC000290709511 | COc1cc(CCO)ccc1NCC(=O)NCC1CC1 |
ZINC001219243968 | CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2cnoc2C)C[C@@H]1O |
ZINC001724508542 | CCCOCC(=O)N1CCC[C@H](C2CCN([C@H](C)COC)CC2)C1 |
ZINC001296577515 | CCO[C@]1(c2nnc(N3C[C@H](C)[C@@H]4CCCC[C@H]43)n2C[C@](C)(O)CC)CCOC1 |
ZINC001337368745 | C#C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc2nc(OC)ccc2c1 |
ZINC001319334559 | C#CCCN1CCO[C@@H](CNC(=O)c2ccc(OCCCC)cc2)C1 |
ZINC000944861144 | CC(C)C(=O)N1CCC2(CC1)CN(C(=O)c1cc3n(c1)CCCC3)C2 |
ZINC001190593643 | CCCC[C@@H](C)N(CCCC)S(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 |
ZINC000714970046 | CC(C)NC(=O)C[S@](=O)C[C@@H](N)c1cn(C)nn1 |
ZINC000267706484 | CC(C)N1C[C@@H](NC(=O)C(=O)Nc2cccc(C3SCCS3)c2)CC1=O |
ZINC001226420606 | Cc1cnc(F)c([C@H](C)Oc2ccc(CCl)c3cccnc23)c1 |
ZINC000896364334 | CC(C)(C)N1CC[C@H]1C(=O)NC[C@@](C)(O)c1ccc(F)cc1F |
ZINC001591765976 | C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)c1sccc1C1CC1 |
ZINC001761308406 | CC(C)OCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@H](C)C1 |
ZINC001198894616 | COc1ccc(CN2CC[C@]3(CCCN(C(=O)c4ccc5c(c4)CCCC5=O)C3)C2=O)cc1 |
ZINC000930775739 | O=C1C[C@@H](CCNC(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)CN1 |
ZINC000846082117 | CC(=O)Nc1cc(NC(=O)C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)ccc1C |
ZINC001375559434 | CCc1cnc(CN[C@H]2C[C@H](CNC(=O)C[C@H](C)n3cccc3)C2)o1 |
ZINC000722909192 | CC(C)CNC[C@]1(C[C@@H]2CC23CC3)CCCN(C(=O)OC(C)(C)C)C1 |
ZINC000270097275 | C=C(C)[C@@H](CC(=O)N1CCN(CC(N)=O)CC1)OCC |
ZINC000349107686 | O=C(N[C@H]1CCCOc2ccccc21)c1cnc(-c2ccco2)s1 |
ZINC001356070752 | C=C/C(C)=C\CC(=O)N(CC)CCNC(=O)[C@H]1CN2CCC1CC2 |
ZINC001732649832 | Cc1ccc(C(=O)NC[C@H](O)CNCCc2ccnn2C)cc1F |
ZINC000115601839 | CCCC[C@@H](Nc1ccc(-c2nccc(C)n2)cc1)C(=O)Nc1cc(C)on1 |
ZINC000345075892 | C=CCSCCNC(=O)c1cccc(OCc2cscn2)c1 |
ZINC001550069896 | Cn1cnc(C(=O)N[C@H]2CNCC[C@H]2c2ccccc2)cc1=O |
ZINC001795135188 | Cc1nc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)C3)co1 |
ZINC001545373039 | CC[C@H](NC(=O)c1cc(-c2ccc(C)o2)[nH]n1)[C@@H]1CN(Cc2ccccc2)CCO1 |
ZINC001733690905 | CCOCCNC[C@H]1CC[C@H](NC(=O)c2ccc(C)nc2OC)CC1 |
ZINC000594956995 | COC(=O)[C@@H]1C[C@@H]1[C@H](C)N[C@H](C)CC(C)(C)O |
ZINC000298262041 | C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(O)cc2)C[C@H](c2ccccc2)O1 |
ZINC001836570035 | CN1CCc2cc(C(=O)N3CCO[C@]4(COCCN(C(=O)c5ccc(F)nc5F)C4)C3)ccc21 |
ZINC001652966669 | C[C@@]1(NC(=O)CNc2ccc(S(C)(=O)=O)cc2)CN(Cc2ccccc2)C[C@H]1c1ccccc1 |
ZINC001001390201 | O=C(NCC1=CCN(Cc2ncccn2)CC1)c1ccc(Cl)cn1 |
ZINC000788032439 | CC1(C)C[C@H](NC(=O)NC[C@@H]2CC(C(N)=O)=NO2)C(C)(C)O1 |
ZINC001205347628 | CN(CCC(=O)c1cccs1)Cc1sccc1Cl |
ZINC001569259907 | CC[C@H](C)c1ccccc1N1C[C@H](C(=O)N2CCC[C@H](N3CCOCC3)C2)CC1=O |
ZINC000103454105 | Cc1c(C(=O)N(C)CC2CCN(C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 |
ZINC001536434191 | CCC(C)(C)c1ccc(CNC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 |
ZINC000962744448 | CC(C)=CC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccoc1Cl |
ZINC000276884311 | COc1cncc(C(=O)N2CCC[C@H]2c2cccc(C)c2)n1 |
ZINC001072012923 | COc1ccccc1C(=O)N[C@H]1CC[C@H](C)N(Cc2cnn(C)n2)C1 |
ZINC000889753727 | CC(=O)c1c(C)cc(NC(=O)C(=O)NCCCn2ccnc2)cc1C |
ZINC001099653107 | C[C@@H](CCNC(=O)c1cccc(F)c1F)Nc1cccc(F)n1 |
ZINC001737338695 | C=C(C)C(C)(C)C(=O)NCCN1CCN(C(=O)c2ccccn2)CC1 |
ZINC001520721392 | CCCOCC(=O)N1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)C2CC2)[C@H]1C |
ZINC000332640297 | C[C@]1(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CCCOC1 |
ZINC001640780009 | CC(C)(C)OC(=O)c1cccc(NC(=O)CCc2ccc(O)cc2)c1 |
ZINC000211441582 | Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(CSC(F)F)o1 |
ZINC001669109047 | C#CCN(Cc1ccccc1)S(=O)(=O)C[C@H]1COc2ccccc2O1 |
ZINC001237240906 | CN1CC[C@@]2(CCN(Cc3ccccc3CS(=O)(=O)c3ccccc3)C2)C1 |
ZINC000272208502 | COc1ccnc(N(C)C[C@H]2CCCC[C@H]2O)n1 |
ZINC000994736842 | CC(=O)N1CCC([C@@H]2N(C(=O)c3ccc(C)n3C)CC23CCC3)CC1 |
ZINC000391546605 | O=C(O)[C@@]1(C(F)(F)F)CCN(S(=O)(=O)c2ccc(Cl)c(Br)c2)C1 |
ZINC001743336251 | C[C@@H]1CN(CCCn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)[C@@H]2CCSC2)CCCO1 |
ZINC001327320829 | CC/C(C)=C/C(=O)N1CCOC2(C1)CN([C@H](C)c1nnnn1C)C2 |
ZINC000864662136 | Cc1cc(F)ncc1C(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 |
ZINC000995240207 | CCc1cc(C(=O)N2CC[C@@]3(CNC(=O)c4cn[nH]c4)CCC[C@@H]23)n(C)n1 |
ZINC000381684206 | CCC(CC)(CO)CNC(=O)C[C@@H]1CCCC[C@H]1N |
ZINC000526023694 | O=C(CCC(=O)c1ccc2c(c1)OCCO2)N[C@H]1CCCc2ccc(F)cc21 |
ZINC001702678791 | COCCC[C@@H](C)C(=O)N1CC[C@H](NC(=O)C2CCC2)[C@H]1C |
ZINC000673719567 | Cc1ccc(CCC(=O)N2CCC(c3ccc(F)c(F)c3)CC2)o1 |
ZINC001401215275 | C[C@H](CNCc1ccnn1C)N(C)C(=O)[C@@H]1CC1(F)F |
ZINC001166792036 | COC(C)(C)[C@H]1CCCN1c1nc(SC)nc2ccsc12 |
ZINC000625214721 | Cc1ccc(S(=O)(=O)N2CCOC[C@@H]2CC(F)F)c(F)c1F |
ZINC000728559310 | CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cc(C)n(CC)c2C)c(=O)n1[C@@H](C)c1cccs1 |
ZINC000287161491 | C[C@@H]1Oc2c(cccc2C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)NC1=O |
ZINC000932472812 | C[C@@H](C#N)CNC(=O)c1cc(O)nc2c1CCCC2 |
ZINC001449906605 | CO[C@](C)(CNC(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2)c1ccccc1 |
ZINC001306162133 | CCc1nnc(N2CCC[C@H](C(=O)OC)C2)n1C[C@H]1CCOC[C@H]1OC |
ZINC000431432218 | CC(C)n1ncc2c(C(=O)NC(C)(C)C(=O)O)cc(-c3ccc4c(c3)OCCO4)nc21 |
ZINC001285646184 | C#Cc1cncc(C(=O)N(C)[C@H](C)CNC(=O)c2ccn(C)c2)c1 |
ZINC000593048564 | C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1CCn1nc2ccccn2c1=O |
ZINC001517607484 | CNC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H]2CSCCS2)CC1 |
ZINC001523482088 | COc1ccc(CCC(=O)O[C@H]2CCOc3c(C)cccc32)cc1Cl |
ZINC000743412452 | O=C(NNc1nccc2sccc12)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 |
ZINC001568603769 | C[C@@H](CCNC[C@H]1CCS(=O)(=O)C1)NC(=O)CC1CCCCC1 |
ZINC001593764028 | C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCC1 |
ZINC001560318170 | CCN1CCN(C[C@H](C)CNCc2ccc(Br)cn2)CC1 |
ZINC000559162180 | CC(C)[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2cccs2)CCO1 |
ZINC000575816442 | CCOC(=O)c1cc(S(=O)(=O)NC[C@H](O)[C@H]2CCOC2)cnc1C(F)F |
ZINC000128291245 | Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)NCCCC1CC1 |
ZINC000777830442 | C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1[C@@H](O)C(F)(F)F |
ZINC000108794571 | Cc1ccc(O[C@H](C)C(=O)OCc2ccc(S(=O)(=O)N(C)C)o2)cc1 |
ZINC001493996162 | Cc1cnc(CN2CC[C@H](CCNC(=O)[C@H]3CCCOC3)C2)o1 |
ZINC001783114612 | C=CC[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc4sc(C)cc4[nH]3)CCO2)C1 |
ZINC001484210365 | Cc1cc(CC(=O)NC[C@]2(O)CCN([C@H](C)c3noc(C)n3)C2)no1 |
ZINC001051344821 | Cc1ncncc1C(=O)N[C@H](C)[C@H]1CCN(C(=O)CCCF)C1 |
ZINC000152261653 | CNS(=O)(=O)c1cc(C(=O)NC2CCN(c3cccc(C)n3)CC2)co1 |
ZINC000189164120 | CO[C@H](C)CNC(=O)Cc1cccnc1 |
ZINC000844963490 | CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCC[C@@H]1CC1(Cl)Cl |
ZINC001690153291 | C=CCCN[C@@H](CNC(=O)c1cccc(Cl)c1C)C1CC1 |
ZINC000282998944 | Cc1cc(CO)oc1C(=O)NCCc1nc(-c2ccccc2)c(C)s1 |
ZINC001011975282 | C[C@H]1[C@@H](NC(=O)CN2CCOCC2)CCN1C(=O)Cc1cnoc1 |
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