zinc_id
stringlengths 16
16
| smiles
stringlengths 4
148
|
|---|---|
ZINC001499021436 | CCc1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1CCc1ccccc1C |
ZINC000816147928 | C[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1CCNC(=O)CC1 |
ZINC001233542669 | C[C@@H]1Cc2cc(-c3ccc(CNC(=O)NNC(=O)c4cccnn4)cc3)ccc2O1 |
ZINC001276132945 | O=C(NCc1cc(Cl)cc(Br)c1)c1csc(-c2ncc[nH]2)n1 |
ZINC001038605220 | CCCc1nnc(CN2CC[C@@H]2CNC(=O)[C@H]2CCC2(C)C)s1 |
ZINC001412253768 | CC(=O)NCC(=O)NC[C@H]1C[C@H](NC(=O)C2(C(C)(F)F)CC2)C1 |
ZINC000690767694 | COC(C)(C)C[C@@H](N)CN1C[C@H]2[C@H](N3CCCC3)[C@H]2C1 |
ZINC000343674424 | O=C(C(=O)N1CCC[C@@H]1CF)N1CCc2c1cccc2C(F)(F)F |
ZINC000767667316 | C#CCC(C)(C)C(=O)OCC(=O)Nc1ccccc1OC |
ZINC000964370018 | C[C@H]1C[C@@H]1C(=O)N1CCC2(CC1)C[C@@H]2NC(=O)c1cc2c([nH]1)CCC2 |
ZINC001468010255 | Cc1cc(C(=O)NC2(C(C)(C)c3ccccc3)CC2)c(C)n1-c1ccn(C)n1 |
ZINC000535338755 | COc1ccc(C[C@H](C)CNC(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)cc1 |
ZINC001378260159 | C[C@@H](CNC(=O)CCc1cn(C)nn1)N(C)CC[C@H]1CCCO1 |
ZINC001216756666 | CC(C)[C@H](NC(=O)N1CCCC[C@@H]1[C@@H](O)c1ccccc1)C(F)(F)F |
ZINC001269507282 | NC(=O)[C@H]1CCSC12CN(C(=O)c1ccc3ncccc3n1)C2 |
ZINC000480518162 | N#Cc1c(F)cccc1N1CCN(C(=O)C[C@@H]2CCc3ccccc3C2)CC1 |
ZINC001513568722 | O=C(CCN1CCOCC1)N[C@@H]1CN(C(=O)/C=C/c2ccc[nH]2)C[C@@H]1O |
ZINC000498349270 | O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1)N1CCO[C@@H]2CCC[C@H]21 |
ZINC001197515637 | O=C(c1cccnc1)N1C[C@H]2CN(S(=O)(=O)Cc3cc(Cl)ccc3Cl)C[C@H]2C1 |
ZINC000433662352 | Cc1occc1C(=O)Nc1cc(NC(=O)C(=O)N2CC3(CCC3)C[C@@H]2C)ccc1F |
ZINC001116249889 | Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)Nc1cnn(CCO)c1 |
ZINC001347169967 | CC1(C)Cc2c(cnn2-c2ccccc2)CN(c2ncnc3scnc23)C1 |
ZINC000707000967 | CCc1c(Cl)ncnc1N[C@@H]1CCOC[C@H]1O |
ZINC001652821700 | C[C@H](CSCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c1ccccc1 |
ZINC001390542825 | CC[C@@H](CNC(=O)C12CCC(CC1)C2)NC(=O)c1ccn(C)c(=O)c1 |
ZINC000701356587 | C[C@@H]1CN(CCOC2CCCCC2)C[C@H]1N |
ZINC001792352382 | CN1CC(C(=O)N2CC[C@H]3CO[C@@H](CNC(=O)[C@@H]4CCCCN(C(=O)OC(C)(C)C)C4)[C@H]3C2)C1 |
ZINC000430171646 | CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C |
ZINC001456427175 | CCc1ccc([C@@H](C)CC(=O)NC2CN(C(=O)c3cocn3)C2)cc1 |
ZINC001758653823 | CCOCC(=O)N1[C@H]2CC[C@H]1CN(C(=O)COCCN(C)C)C2 |
ZINC001305882073 | CC[C@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)OC)CCO1 |
ZINC000562656621 | CC(C)c1ccccc1OCC(=O)N[C@@H](C)CCCc1cccnc1 |
ZINC001759522512 | C=CC(C)(C)CC(=O)NC[C@H](NC(=O)C1=COCCC1)C(C)C |
ZINC000711769290 | OCc1cc(Cl)cnc1N1C[C@H]2CCC[C@@H]2C1 |
ZINC000336813758 | CC(C)(C)C(C)(C)NC(=O)NCCCCCC(=O)O |
ZINC000153595133 | COc1ccc(NCc2csc(C3CCCC3)n2)cc1F |
ZINC000591282329 | CCN(CC(=O)N(C)C)C(=O)c1cccnc1Nc1ccccc1F |
ZINC001835558224 | NC(=O)CC[C@H](N)C(=O)N1CCO[C@@]2(COCCN(C(=O)c3ccns3)C2)C1 |
ZINC000778765995 | N#Cc1ccc(N2CCC[C@@H](OC(=O)c3cc(O)c4ccccc4c3O)C2=O)cc1 |
ZINC001746127830 | C/C=C(/C)C(=O)NC[C@H](CC)NC(=O)c1cn(C)nc1OC |
ZINC001556096388 | O=C1CCCc2cc(OC(=O)CNS(=O)(=O)c3ccc(Cl)cc3)ccc2N1 |
ZINC001687109023 | CCn1ncc(C(=O)NCCCNC(=O)[C@H]2CC[C@@H]2C(N)=O)c1C |
ZINC001768111779 | CO[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1)C(C)C |
ZINC001252273818 | CCN(CC)CCN(C)S(=O)(=O)C(F)(F)F |
ZINC000838219825 | C[C@H](OC(=O)c1cn(CC2CC2)nn1)C(=O)N1CCCc2ccccc21 |
ZINC000881497915 | O=C(NC[C@H]1C=CCC1)c1cc(Br)c(C(=O)NC[C@H]2C=CCC2)o1 |
ZINC001346211624 | CCCCCN(C(=O)Cc1sc(CS(C)(=O)=O)nc1C)C(C)C |
ZINC000954893351 | COc1nccc(C(=O)N(C)C2CN(C(=O)CC3CCC3)C2)n1 |
ZINC001388113332 | CC[C@@H](CNC(=O)[C@@H]1CCN(C)C(=O)C1)NC(=O)CN(CC)CC |
ZINC001312059776 | CCN(C[C@@H]1CCN(C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)C1)CC(F)(F)F |
ZINC000293020840 | Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3c(C)nsc3C)C2)cc1 |
ZINC000270246414 | Cc1ncccc1NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 |
ZINC001050465768 | C[C@H]1CC[C@@H](CN2CCC3(CC2)CN(C(=O)CCC2CC2)C3)O1 |
ZINC000189994246 | COCCc1ccccc1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 |
ZINC001763907763 | CC[C@H](C)N(C)CCn1c([C@H]2CCOC2)nnc1N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 |
ZINC001508253754 | CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccc(F)cc2)[C@H](C)C1 |
ZINC000450135423 | CC(F)(F)C(C)(C)C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1 |
ZINC000044848791 | O=C(CNc1cccc(OC[C@@H]2CCCO2)c1)Nc1ccccc1SC(F)F |
ZINC001626866164 | CC(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)CC2)o1 |
ZINC001090331426 | CCC[C@H](CC)C(=O)N1CC[C@H]2CN(c3ncnc4c3ncn4C)C[C@H]21 |
ZINC001816920606 | CCS(=O)(=O)CC(=O)N[C@@H]1CCc2nc(NC(=O)c3cccc4c3OC(C)(C)C4)sc2C1 |
ZINC001575777557 | C[C@H]1CCn2ncc(C(=O)NCCCNC(=O)C3=CCCC3)c2C1 |
ZINC000469672519 | CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)CCN3CCN(CC)CC3)cc2)CC1 |
ZINC000502218212 | C[C@@H](NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccnc(O)c1 |
ZINC001326779351 | CC[C@@H](C)[C@H](CNC(=O)N1CCC(c2nc3ccccc3o2)CC1)OC |
ZINC000567337960 | CC(C)(CN1C(=O)[C@@H]2CNC(=O)CN2C1=O)C1CCC1 |
ZINC001711473472 | COC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2Cc2snnc2C)C[C@@H]1C |
ZINC001776618778 | C[C@H]1CC[C@@H](C(=O)O)N(Cc2ccc(CN3CCCCC3)cc2)C1 |
ZINC000052376673 | C[C@@H](OC(=O)Cn1ccc2ccccc21)c1nc(C(C)(C)C)no1 |
ZINC001409812397 | O=C(CC(F)(F)F)NCC[C@@H]1CCCCN1C(=O)Cc1ncc[nH]1 |
ZINC001231030102 | O=C(NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)N[C@H](CCO)C1CCCC1 |
ZINC001235953758 | COCOc1ccc(-c2ncc(C(F)(F)F)cc2S(C)(=O)=O)cn1 |
ZINC001048654076 | O=C(/C=C\c1ccco1)N1C[C@@H]2CN(C[C@H]3CCCCO3)C[C@@H]2C1 |
ZINC000001770653 | CCCCOC(=O)Nc1ccccc1C(=O)OC |
ZINC000602807267 | COC(=O)[C@H](N[C@H](c1ccccc1)C1CC1)c1cccc(OC)c1 |
ZINC000967829690 | CCN(C(=O)C1=COCCC1)C1CN(C(=O)c2c(C)ncnc2O)C1 |
ZINC001209867393 | C=CCC(C)(C)C(=O)N1CCC[C@@H](NCc2nc(C(C)(C)C)n[nH]2)C1 |
ZINC001579785962 | COCCC1(NC(=O)CCCF)CCN(c2cncc(-c3nn[nH]n3)n2)CC1 |
ZINC000355041078 | CS[C@H](CO)[C@@H](C)NC(=O)c1[nH]cnc1C(=O)c1ccccc1 |
ZINC000851625516 | C[C@]1(C(=O)O)CCC[C@H]1NC(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 |
ZINC001508317253 | CC(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2CC2(CC(C)C)CC2)C1 |
ZINC001707187537 | CCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)CN(C)C2CCC2)C1 |
ZINC000170266181 | COC(=O)[C@H]1Cc2[nH]cnc2CN1C(=O)OC |
ZINC001026580001 | O=C1CC[C@H](NC2CCC(NC(=O)c3nc[nH]n3)CC2)C(=O)N1 |
ZINC000972903733 | C[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)c2ccco2)C1 |
ZINC001675944278 | CC(C)OC1CN(C(=O)NC[C@@H](c2ccccc2)C(C)C)C1 |
ZINC000246424079 | COc1cccc(CNC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1OC1CCCC1 |
ZINC000184148207 | Cc1ccc(NC(=S)NNC(=O)Cc2ccc3c(c2)NC(=O)C3)cc1C |
ZINC001034593612 | CC(C)C(=O)N[C@H]1CC[C@H](NCc2cc(-c3cnn(C)c3)no2)CC1 |
ZINC001318886392 | C[C@]1(c2ccccc2Br)NC(=O)N(CCC(=O)Nc2cccc(C#N)c2)C1=O |
ZINC000544353044 | CC[C@@H](NC(=O)NC1CC(C)(c2ccccc2)C1)[C@H]1CCCO1 |
ZINC000845450293 | CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 |
ZINC000952876963 | CC1(CS(=O)(=O)N2CCC(CC(N)=O)CC2)CC1 |
ZINC000989852558 | O=C(c1ccccn1)N1CCC(NCc2nccs2)CC1 |
ZINC001055196132 | COCCCC(=O)N1C[C@H]2CN(C(=O)c3cnc(C4CC4)o3)C[C@H]2C1 |
ZINC000620643477 | Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 |
ZINC001630765317 | Cc1ccc(S(=O)(=O)C2CCN(C(=O)NCC(C)(C)c3ccccc3C)CC2)cc1 |
ZINC000262238238 | O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 |
ZINC000756189955 | C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 |
ZINC001198417494 | CC(C)CN1CCCN(C(=O)CC[C@@]2(C)CCC(=O)N2)CC1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.