zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC001379678324 | CCn1nc(C2CC2)cc1C(=O)N[C@H](C)CN(C)CC[C@@H](C)F |
ZINC000428921948 | Cc1cnc([C@H](C)NC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)s1 |
ZINC000468359911 | COC[C@@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1c[nH]c2ncccc12 |
ZINC001847813218 | C=CCO[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)[C@H]1C |
ZINC000208378568 | Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)NCc1cccc2c1OCCO2 |
ZINC000651830186 | COc1cc(OC)c(CNC[C@@H]2CNC(=O)C2)cc1F |
ZINC001118954071 | O=C(NCC1([C@@H]2CCCCO2)CCC1)C(=O)N1CC(=O)N(Cc2ccccc2)C1 |
ZINC000925103193 | COc1ccnc([C@H](C)N[C@@H](C)Cc2ccc(C)s2)c1 |
ZINC000075609623 | CCN(CC)[C@H](C)CNC(=O)C1(c2ccccc2)CCOCC1 |
ZINC001033505183 | Cc1noc(C)c1[C@@H](C)C(=O)N(C)[C@@H]1CCN(Cc2csnn2)C1 |
ZINC001277979474 | C[C@H](CN(C)C(=O)[C@@]1(C)CCOC1)NCCCN1C(=O)CNC1=O |
ZINC001301232499 | Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC[C@@H]1CCN1Cc1ccccc1 |
ZINC001824702888 | Cc1ncc(C(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cc(=O)n4[nH]nnc4n3)CC2)[nH]1 |
ZINC001798319180 | C[C@@H](C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cnc(N)s1)C2)N1C[C@H]2C[C@H]2C1 |
ZINC000764191631 | O=C(CCc1ccccc1)NNC(=O)C(=O)Nc1ccc(SC(F)F)cc1 |
ZINC000479388985 | C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)c1 |
ZINC000897470723 | O=C(NCc1ccoc1)C(=O)N1CCCC[C@H]1CC1(O)CCCCC1 |
ZINC000667678628 | O=C(Nc1ccc(-c2ccc(Cl)s2)nn1)N1CCO[C@H](C2CC2)C1 |
ZINC000993941450 | Cc1cc(C(=O)NC[C@@H]2CN(C(=O)c3nc(Cl)cs3)C[C@H]2C)co1 |
ZINC001774245407 | CN=[S@](C)(=O)CCNC(=O)[C@H]1CCN(C)C(=O)C1 |
ZINC000943700041 | C#Cc1ccccc1CC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 |
ZINC001040297432 | Cc1cc(Cl)cc(C(=O)NC[C@@]2(O)CCN(C(=O)C(F)F)C2)c1 |
ZINC001590066287 | C[C@]1(C(=O)NCC[C@H]2CCN(c3ccc(-c4nn[nH]n4)nn3)C2)CC=CCC1 |
ZINC000594730493 | CCC(=O)Nc1ccc(S(=O)(=O)Nc2c(C(=O)OC)c(C)nn2C)cc1 |
ZINC001495657797 | CCn1ncc(C(=O)NC[C@@H](C)CNCc2c(C)cccc2Cl)n1 |
ZINC000677989216 | CC(=O)N1CCN(C[C@@H]2COc3ccccc3O2)CC12CCCCC2 |
ZINC001182361024 | CC/C(C)=C/C(=O)N1CC[C@@H](NCc2cnn(-c3ccccc3)n2)C1 |
ZINC001090528454 | CC(C)(C(=O)N[C@@H]1CN(c2cccc(F)c2C#N)C[C@H]1O)C(F)F |
ZINC001713079321 | CCOCCN1CC[C@@H](NC(=O)CCOC(C)C)C1 |
ZINC001401935815 | C[C@@H](NC(=O)CNC1(CNC(=O)Cc2ccon2)CC1)c1ccco1 |
ZINC000975069196 | Cc1ccc(C(=O)N[C@H]2CN(CC#N)CC2(C)C)c(F)c1F |
ZINC000293320952 | COCCn1nnc2c1CCN([C@H](C)C(=O)Nc1cc(OC)ccc1OC)C2 |
ZINC000729390711 | CCC[C@H](NC(=O)/C=C\c1cccs1)c1ccccn1 |
ZINC000791285517 | O=C(NCc1ccc2c(=O)cc[nH]c2c1)c1ccc(N2CCOC2=O)cc1 |
ZINC001135550566 | O=C(NCCNC[C@H](O)c1ccccc1F)c1nc2ncccn2n1 |
ZINC000528996296 | Cc1cc(S(=O)(=O)NC(=O)[C@@H]2C[C@@]2(C)Br)cc(C)c1F |
ZINC001598024539 | CC[C@H](NC(=O)[C@H](C)Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCOC1 |
ZINC001480333691 | CCCN(C)CC(=O)NC[C@H]1CCCCN1Cc1cccc(CC)c1 |
ZINC000292994278 | CCOC(=O)c1csc(CN(CCO)C2CCC2)n1 |
ZINC001714061829 | CC[C@@H](CNC(=O)[C@H](C)C#N)NCCOc1cc(C)ccc1C |
ZINC000810563374 | Cn1nnc(Br)c1C(=O)NS(=O)(=O)C[C@@H]1CCCCO1 |
ZINC001334891352 | C1CCC2(CCN(c3nnc(CC4CCCC4)n3C[C@H]3CCOC3)CC2)OC1 |
ZINC000742335876 | Cc1ccc(Cl)cc1OS(=O)(=O)c1cc(F)c(F)cc1F |
ZINC001373418889 | CCCC[C@@H](CC)C(=O)NC1CN([C@@H](C)c2nc(C)no2)C1 |
ZINC000854691488 | CC(C)(C(=O)N1CCOCCN1)[C@@H](O)c1ccc(OCc2ccccc2)cc1 |
ZINC001640316105 | CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(NS(=O)(=O)C3CC3)c2)cc1 |
ZINC001140836106 | COC(=O)[C@]12CCN(Cc3cc(Cl)c(O)c(Cl)c3)C[C@@H]1N(C(=O)OC(C)(C)C)CC2 |
ZINC001250661136 | C[C@@]1(CF)CC(F)(F)CN1C[C@@H](O)COc1ccc(Cl)cc1 |
ZINC001310234981 | CCOc1cc2c(cc1NC(=O)NC[C@@H]1CCN(c3cc(OC)cc(OC)c3)C1)O[C@H](C)C2 |
ZINC000488967571 | Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CC[S@@](=O)[C@@H](C)C1 |
ZINC001282021040 | C=CCCC(=O)N(C)C[C@@H]1CCN1C(=O)Cc1c(C)noc1C |
ZINC001449604300 | C[C@H](NC(=O)c1cccc(F)c1)[C@H](C)NC(=O)c1cnnc(O)c1 |
ZINC000110636752 | CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cc(-n3nnnc3C)ccc2F)c1 |
ZINC000954757506 | Cc1oc(C)c(C(=O)N(C)C2CN(C(=O)[C@@]3(C)CCO[C@@H]3C)C2)c1C |
ZINC001452298224 | CCOCC1(C(=O)N2CC[C@H](C)[C@@H](CNC(=O)C(C)(C)C)C2)CC1 |
ZINC001275458538 | Cc1cc(C(=O)N2C[C@H]3C[C@@]3(C(=O)N3CCCCO3)C2)ccc1C#N |
ZINC001057532156 | CC(C(=O)N(CCO)CCNC(=O)CCc1cnccn1)=C1CCC1 |
ZINC000946575213 | CCc1cc(C(=O)N2C[C@@H](NC(=O)C3(C)CC=CC3)[C@H](OC)C2)n[nH]1 |
ZINC001841433454 | CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)N1CCCC12CN(C(=O)c1onc3ccccc13)C2 |
ZINC001310713500 | CCc1cc(NC(=O)N[C@@H](COC)c2cccc(Br)c2)ccc1F |
ZINC001507410362 | C=Cc1ccc(C(=O)N[C@@H]2CC[C@H](CNCC(=O)N3CCC3)C2)cc1 |
ZINC001737356965 | CCn1ccc(CC(=O)N2CC[C@@H](NC(=O)CCCCC(N)=O)C2)n1 |
ZINC000870327138 | O=C(C[C@@H](O)c1cccc(F)c1)NC[C@@H](n1cncn1)C(F)(F)F |
ZINC000817960816 | COc1cccc(/C=C(/C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n2nnnc2C)c1 |
ZINC000155577797 | Cc1cc2occ(CC(=O)NC[C@H](O)c3ccsc3)c2cc1C(C)C |
ZINC001596280425 | NC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3F)cc2)c1 |
ZINC001030700222 | CN(C(=O)CN1CC(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1)C1CCCCC1 |
ZINC000976952534 | C[C@H]1CO[C@@H](C(=O)N[C@H]2[C@@H]3CN(C(=O)c4ccn(C)c4)C[C@@H]32)C1 |
ZINC001834688528 | CC[C@@H](C)[C@@H](N)C(=O)NC1CCN(C2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3F)CC2)CC1 |
ZINC001135870582 | O=C(NCc1ccccc1Cn1cccn1)c1cc2cccc(C(F)(F)F)c2nc1O |
ZINC001828787909 | CCNC(=O)N[C@H](C)C(=O)N1CCC([C@H]2CCCCN2C(=O)CC[S@](=O)CC)CC1 |
ZINC000656963094 | O=S(=O)(c1ccncc1)N1CCOCC2(CCCC2)C1 |
ZINC001753384356 | Cc1cccc([C@H](C)N2CC(NC(=O)[C@H](C)C(F)(F)F)C2)c1 |
ZINC000977438527 | CN(C[C@@H]1CCN1C(=O)Cc1cscn1)C(=O)[C@@H]1CCOC1 |
ZINC001699055114 | CC1(CC(=O)NC[C@@H](O)CNCC2CCCCCC2)CCCCC1 |
ZINC000817160994 | C[C@H](CS(C)(=O)=O)NC(=O)N1CCC2(CC1)CCN2C(=O)OC(C)(C)C |
ZINC000086953734 | CCC[C@@H]1CCC[C@@H](N(CCOC)CC(=O)O)CC1 |
ZINC001585306761 | COC(=O)Cc1ccc(NC(=O)[C@@H](Oc2ccccc2)c2ccccc2)cc1F |
ZINC000409612285 | CC(=O)c1ccc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)cc1 |
ZINC000844327568 | CO[C@H](CC(=O)Nc1cccc(CN(C)C(=O)C(F)(F)F)c1)C(F)(F)F |
ZINC001611962154 | Cc1cc(F)ccc1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1 |
ZINC000709545469 | CCCCOC[C@@H](N)c1cccc(Br)c1 |
ZINC000442883992 | CC(C)Cc1ccc([C@H](C)NC(=O)CN2CC[C@H](C)[C@@H]2CO)cc1 |
ZINC001828262020 | C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc2c(s1)C[C@H](NC(=O)CNc1ccc(F)cc1)CC2 |
ZINC001156830741 | Cc1nc(-n2c(C)ncc(CN)c2=N)cc2[nH]ccc12 |
ZINC001539095845 | CCOC(=O)C1=CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)C1 |
ZINC000559539810 | COCc1ncsc1C(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 |
ZINC000402847320 | CCN(C(=O)C(=O)NCC(N)=S)[C@@H]1CCCOC1 |
ZINC000590632469 | C[C@@H](OCCc1ccccc1)C(=O)NC1(C#N)CCN(C)CC1 |
ZINC000800059888 | CC(C)(C)OC(=O)N1CCCN(C(=O)NCCS(=O)(=O)CCc2ccccc2)CC1 |
ZINC000728865805 | C#Cc1ccc(C(=O)NCCC(=O)NC(C)(C)C)cn1 |
ZINC000637887134 | COc1ccc([C@@H]2CCCN2Cc2ccns2)cc1OC |
ZINC000925174689 | CN1C(=O)N(CC2CCC(S(C)(=O)=O)CC2)C(=O)[C@@H]1Cc1ccccc1 |
ZINC001227455549 | CC[C@@H]1CCCN(C(C)(C)CNC(=O)N2CCN(c3cccc(F)c3F)CC2)C1 |
ZINC000989284717 | C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)CCN1C(=O)c1nn(C)c2c1CCCC2 |
ZINC000519723511 | CC(C)(C)c1cc(NC(=O)N[C@@H]2CCOC3(CCOCC3)C2)n(-c2ccccn2)n1 |
ZINC000602682963 | COc1cc(Cl)c(CN2CC[C@@H](SC)C2)cc1OC |
ZINC000410279490 | COc1ccc(-c2noc(CCC(=O)N3CCC(N4CCc5ccccc54)CC3)n2)cc1 |
ZINC000001709136 | O=C1c2ccccc2C[C@@H](Br)c2ccccc21 |
ZINC001519265442 | CN(C)c1ccc(CNC(=O)C(F)(F)c2cccc(Br)c2)cc1F |
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