zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC000633886866 | CC1(C)CCC[C@@](O)(CNC(=O)c2ncccc2F)CC1 |
ZINC000154944184 | Cc1ccc(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])cn1 |
ZINC001632079184 | COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1 |
ZINC001418582492 | Cc1ccc(C(=O)N(C)C[C@@H]2CCN2CC(=O)NC(N)=O)nc1C |
ZINC001116580229 | CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cn(C)cc2C(F)(F)F)cc1 |
ZINC000489129795 | COc1ccc(CCNC(=O)C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c(Cl)c1 |
ZINC001430301244 | O=C(CCc1ccon1)NC[C@@H]1CCCN(C(=O)c2ccnnc2)C1 |
ZINC000609443084 | CC(=O)N1CCCCC[C@@H]1C1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 |
ZINC000511566235 | C[C@H](CCNC(=O)N1CCC[C@@H](CNC(=O)c2ccco2)C1)[S@](C)=O |
ZINC000615184348 | CN1C[C@H]2CCN(C(=O)c3cccc(C(=O)c4ccco4)c3)[C@H]2C1 |
ZINC000584850510 | O=C(NCC[C@@H]1COc2ccccc2O1)c1cc(O)nc(C2CC2)n1 |
ZINC000964396296 | Cn1nc(C2CC2)cc1C(=O)NC[C@H]1CCCCN1C(=O)C1CC1 |
ZINC001408747579 | CCN(CCNC(=O)[C@@H]1CN2CCC1CC2)C(=O)[C@H](OC)C(C)C |
ZINC001531485591 | CC[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)NC(=O)c1cc(Cl)n(C)n1 |
ZINC001769836602 | COc1cc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC2(C)C)cc(OC)c1 |
ZINC001114024220 | CCOCCC(=O)N[C@@H]1CN(c2ncc(F)cn2)CC[C@H]1C |
ZINC001525264010 | CC(C)Nc1ccc(C(=O)Nc2cccc(Cl)c2Br)cn1 |
ZINC000122061116 | Cn1ccnc1[C@@H](NC(=O)N[C@]1(C)CCOC1)c1cccc(F)c1 |
ZINC000064082469 | CCc1ccc([C@H](NC(=O)COC(=O)CS(=O)(=O)CC)c2cccs2)cc1 |
ZINC001028773143 | COc1ccc(C(=O)NC[C@@H]2CCN([C@H](C)C(=O)N(C)C)C2)c(C)c1 |
ZINC001522905392 | C=CCN(Cc1cccs1)C(=O)c1cc(CC)nc2onc(CCC)c12 |
ZINC001459404380 | Cc1coc(C)c1C(=O)N[C@@]1(C)CCN(C(=O)CCNC(N)=O)C1 |
ZINC000534521039 | CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC(C)(C)C)c1)Cc1ccccc1 |
ZINC000880934826 | CCN1CC[C@H](N(C)C(=O)Nc2cc(F)ccc2N(C)C)C[C@@H]1C |
ZINC000051136118 | COC(=O)c1ccc(S(=O)(=O)N(C)CC(N)=O)c(C)c1 |
ZINC000282795594 | COCCCn1nccc1CN1CCC[C@H](Nc2ccccc2)C1 |
ZINC000860281203 | CN(C(=O)COC(=O)CCCc1ccc2c(c1)OCCCO2)c1ccccc1 |
ZINC000722752804 | Cc1c(Br)cncc1NC(=O)CNC(C)(C)C |
ZINC001097089370 | Cc1nc([C@@H](C)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)c2cn(C3CCC3)nn2)no1 |
ZINC001537675575 | CC(NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1)(c1ccccc1)c1ccccc1 |
ZINC001757680088 | Cn1cnc(C(=O)N2CC[C@@]3(CNC(=O)C=C4CCC4)CCC[C@@H]23)n1 |
ZINC001074031577 | CC(C)N(C)C[C@H]1CCCCN1C(=O)[C@@H]1CCc2cncn2C1 |
ZINC001285076922 | C=CCO[C@@H](C)C(=O)N[C@H](CC)CNC(=O)C1(C)CCOCC1 |
ZINC001501028559 | CCCN1CCCN(c2nnc(CC)n2CCc2cccc(OCC)c2)CC1=O |
ZINC000454952704 | C[C@H](NC(=O)N1CC[C@@H](CC(C)(C)C)C1)C1(S(C)(=O)=O)CC1 |
ZINC001062129075 | Cc1nc(Cl)cc(N(C)C[C@@H]2CCN(C(=O)Cn3ccnc3)C2)n1 |
ZINC001432324578 | CC(C)CO[C@H](C)C(=O)NC1(CNC(=O)c2cc(C3CC3)[nH]n2)CC1 |
ZINC001077304571 | Cc1nc(CN2C[C@@H](O)[C@H](NC(=O)Cc3c(C)cccc3Cl)C2)co1 |
ZINC000227444044 | N=C(C1CCCCC1)N1CCC[C@H](CCO)C1 |
ZINC000273000351 | COC(=O)N(C)Cc1ccc(NC(=O)NCCCCOC(C)C)cc1 |
ZINC001673124282 | Cc1c(NC(=O)OC(C)(C)C)cccc1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 |
ZINC000614411155 | COc1ccccc1CC(=O)N[C@H]1CCc2nc(-c3ccccc3)ncc2C1 |
ZINC000764154033 | COC(=O)c1ccc(C(=O)OC2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(F)c1 |
ZINC000309594972 | COC[C@@H](C)CN(C)c1nnc(CCN)o1 |
ZINC000901817967 | C[C@@H](C(=O)O)c1cccc(NCc2ccc(OCCN3CCCC3)cc2)c1 |
ZINC000244401985 | CCCCCNCC(=O)Nc1cc(OC)c(OC)c(OC)c1 |
ZINC000190510899 | C[C@@H](NCCNS(C)(=O)=O)c1nnnn1C1CC1 |
ZINC001320003346 | O=C(COC(=O)c1cc2c(cn1)OCCC2)NCC1(c2ccc(F)cc2)CCCC1 |
ZINC001057175777 | CCC(CC)[C@@H](C)C(=O)NCCN(CCO)C(=O)C1=COCCC1 |
ZINC000598182864 | CSCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)S(=O)(=O)C1 |
ZINC001229013706 | CC(=O)c1ccc(O[C@@H]2CCc3ccccc3C2)cn1 |
ZINC001081370318 | CO[C@@H]1CN(C[C@H](C)O)C[C@H]1NC(=O)c1cnn(C)c1C |
ZINC001286249226 | CCC(=CC(=O)NCC1[C@H]2CN(C(=O)c3cn(CC)cn3)C[C@H]12)CC |
ZINC000751515021 | CCOC(=O)c1ccc(/C=C2\Oc3ccc(F)cc3C2=O)o1 |
ZINC001335618650 | O=C(NCc1ccc(Cl)cn1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@H]2C1 |
ZINC001588954618 | C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@]2(O)CCO[C@@H]2C)CC1 |
ZINC000953815360 | CN(C(=O)c1cnns1)C1CN(C(=O)c2cc(Cl)no2)C1 |
ZINC001647973481 | Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(C(=O)NCCO)CC1 |
ZINC001045888186 | CC(=O)N1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)N3CC(N)=O)CC1 |
ZINC001321472063 | CN(Cc1cc2ccccc2[nH]1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCO1 |
ZINC001047198235 | C=CCCN1C[C@H]2C[C@@H](NC(=O)c3ccc4c(c3)CCC4)C[C@H]1C2 |
ZINC000789140800 | CCc1[nH]nc(C(=O)OCC(=O)NCC(C)C)c1Br |
ZINC001617300106 | COC(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)[C@H](C)C1 |
ZINC001235976719 | COc1cccc(CN2Cc3ccccc3C3(CCNCC3)C2)c1Br |
ZINC000955422857 | CCn1nc(C)cc1C(=O)N(C)C1CN(C(=O)[C@]2(C)CCO[C@@H]2C)C1 |
ZINC001572827312 | Cc1cc(OCC(=O)N[C@@H]2CN(C(=O)[C@]34CCCC[C@H]3C4)C[C@H]2O)no1 |
ZINC000697789633 | C[C@@H]1CCC[C@H](N(C)C[C@]2(CO)CCC[C@@H](C)C2)CC1 |
ZINC001506107918 | CNC(=O)[C@@H](C)N1CC(CCO)(NC(=O)[C@@]23CCC[C@@H]2C3)C1 |
ZINC001729520313 | CN(CCCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1)Cc1ccccc1 |
ZINC001164471114 | Cc1cc(C(=O)NC[C@]2(CO)CCc3ccccc32)c(C)n1-c1ccc(F)cc1 |
ZINC000776972096 | COc1nc(C)ccc1C(=O)Nc1cnc(Cl)c(C)c1 |
ZINC001844826607 | Cc1ccn(C)c1C(=O)N1CCCC12CN(C(=O)c1cc(C)n3ccnc3n1)C2 |
ZINC001100214218 | C[C@H](NC(=O)CNC1CC(CNC(=O)Cc2cc[nH]n2)C1)C1CC1 |
ZINC001178724644 | C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 |
ZINC000820755132 | C=C[C@](C)(CC)COC(=O)[C@@H]1C[C@H]2C=C[C@H]1N(C(=O)OC)C2 |
ZINC001761653314 | Cc1cc([C@@](C)(O)Cn2c(C3CC3)nnc2N(C)CC(C)C)c(C)o1 |
ZINC000091352306 | C[C@H](Oc1csc(C(=O)O)c1)C(=O)NC(C)(C)C |
ZINC000311231698 | CCNCC(C)(C)CN1CCC[C@](O)(C(N)=O)C1 |
ZINC000954233309 | CC(C(=O)N(C)C1CN(C(=O)CCc2cc(C)on2)C1)=C1CCC1 |
ZINC000678914451 | CN(C)C(=O)CN1CCN(C(=O)C(=O)Nc2ccnc(OCC(F)(F)C(F)F)c2)CC1 |
ZINC000867551545 | CC1(C)CC[C@H](CNC(=O)[C@H](O)c2cnc[nH]2)O1 |
ZINC000609487238 | CC(C)[C@H](C#N)N1CCN([C@@H]2C=CCCC2)CC1 |
ZINC000992595609 | C[C@H](C(=O)N1C[C@@H]2CN(C(=O)CC(C)(C)C)C[C@]2(C)C1)c1cnn(C)c1 |
ZINC001769231248 | COC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)c1ccccc1)OC |
ZINC000939005790 | CC(=O)N[C@@H]1CCN(C(=O)C2CC3(CCOCC3)C2)C1 |
ZINC001713584955 | CCO[C@@H](CNCCN(C)C(=O)[C@@H]1CC1(C)C)C1CC1 |
ZINC000127883364 | Cc1cnn(CCNC(=O)NC[C@@H]2CCCS2(=O)=O)c1 |
ZINC000922483143 | CCO/C=C\[C@](O)(CNC(=O)N[C@@H](C)CN(C)C)C(F)(F)F |
ZINC000523203811 | CC(C)N(Cc1ccccc1)C(=O)NCc1ccc(F)c(F)c1 |
ZINC000359130173 | C[C@@H](CNCc1cnc(-c2ccncc2)s1)C(F)(F)F |
ZINC001255940792 | CCN(CC)CC[C@H](C)NC[C@@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 |
ZINC000645820695 | O=C(N[C@@H]1CCO[C@@H](c2cccnc2)C1)NC12CCC(C(F)(F)F)(CC1)CC2 |
ZINC001184425341 | Cc1c(C)c(C)c(CC(=O)NC[C@H]2C[C@@H](O)C2)c(C)c1C |
ZINC000437280376 | COC(=O)C[C@H](NC(=O)C1=C(C)CCC1)c1ccc(F)cc1 |
ZINC001655372963 | C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N(CC1CC1)[C@H](C(N)=O)C1CC1 |
ZINC001560662778 | CNc1ccc(C)cc1CN1CCN(C(=O)COc2ccc(C)cc2)CC1 |
ZINC000067397740 | CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1 |
ZINC000246336286 | CCOC[C@H]1CCCN(C(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)C1 |
ZINC001196691296 | C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(Cc2cn(CC)nn2)C[C@H]1O |
ZINC001359068707 | C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCNC(=O)C(C)(C)C |
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