chemicalCompound:695117 | chemicalCompound:canonicalS... | F | lld:chembl |
chemicalCompound:308051 | chemicalCompound:canonicalS... | [F-] | lld:chembl |
chemicalCompound:426045 | chemicalCompound:canonicalS... | [F-].[Na+] | lld:chembl |
chemicalCompound:618164 | chemicalCompound:canonicalS... | [F-].CCCC[N+](CCCC)(CCCC)CCCC | lld:chembl |
chemicalCompound:1058772 | chemicalCompound:canonicalS... | [F-].[K+] | lld:chembl |
chemicalCompound:694171 | chemicalCompound:canonicalS... | Cl | lld:chembl |
chemicalCompound:308052 | chemicalCompound:canonicalS... | [Cl-] | lld:chembl |
chemicalCompound:674525 | chemicalCompound:canonicalS... | [Na+].[Cl-] | lld:chembl |
chemicalCompound:674682 | chemicalCompound:canonicalS... | [Cl-].[K+] | lld:chembl |
chemicalCompound:181856 | chemicalCompound:canonicalS... | [Li+].[Cl-] | lld:chembl |
chemicalCompound:674504 | chemicalCompound:canonicalS... | Cl[Cu]Cl | lld:chembl |
chemicalCompound:840903 | chemicalCompound:canonicalS... | Cl.Cl.OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12 | lld:chembl |
chemicalCompound:674710 | chemicalCompound:canonicalS... | Cl.Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl | lld:chembl |
chemicalCompound:674952 | chemicalCompound:canonicalS... | Cl.CN(CCCl)CCCl | lld:chembl |
chemicalCompound:1217580 | chemicalCompound:canonicalS... | Cl.Cc1cccc(C)c1NC(=O)CN | lld:chembl |
chemicalCompound:1027418 | chemicalCompound:canonicalS... | Cl.CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C | lld:chembl |
chemicalCompound:89357 | chemicalCompound:canonicalS... | Cl.CCN(CC)CCOC(=O)c1ccc(N)cc1Cl | lld:chembl |
chemicalCompound:754613 | chemicalCompound:canonicalS... | Cl.CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1 | lld:chembl |
chemicalCompound:543263 | chemicalCompound:canonicalS... | Cl.NNc1nncc2ccccc12 | lld:chembl |
chemicalCompound:674903 | chemicalCompound:canonicalS... | Cl.CN[C@@H](C)Cc1ccccc1 | lld:chembl |
chemicalCompound:543306 | chemicalCompound:canonicalS... | Cl.CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | lld:chembl |
chemicalCompound:706089 | chemicalCompound:canonicalS... | Cl.CCCCCC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc12 | lld:chembl |
chemicalCompound:704758 | chemicalCompound:canonicalS... | Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O | lld:chembl |
chemicalCompound:545974 | chemicalCompound:canonicalS... | Cl.CC12CC3CC(C)(C1)CC(N)(C3)C2 | lld:chembl |
chemicalCompound:486806 | chemicalCompound:canonicalS... | Cl.CN(C)C | lld:chembl |
chemicalCompound:618094 | chemicalCompound:canonicalS... | [Cl-].CCCC[N+](CCCC)(CCCC)CCCC | lld:chembl |
chemicalCompound:583941 | chemicalCompound:canonicalS... | [Cl-].Nc1ccc2nc3ccc(N)cc3[s+]c2c1 | lld:chembl |
chemicalCompound:1236378 | chemicalCompound:canonicalS... | [Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)C | lld:chembl |
chemicalCompound:33341 | chemicalCompound:canonicalS... | [Cl-].C[N+](C)(C)CCO | lld:chembl |
chemicalCompound:167875 | chemicalCompound:canonicalS... | [Cl-].CC[N+](C)(C)c1cccc(O)c1 | lld:chembl |
chemicalCompound:101810 | chemicalCompound:canonicalS... | [Cl-].[Cl-].C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C | lld:chembl |
chemicalCompound:693811 | chemicalCompound:canonicalS... | Br | lld:chembl |
chemicalCompound:308053 | chemicalCompound:canonicalS... | [Br-] | lld:chembl |
chemicalCompound:705878 | chemicalCompound:canonicalS... | Br.Oc1cc2CCN(CC=C)CC(c3ccccc3)c2cc1O | lld:chembl |
chemicalCompound:914759 | chemicalCompound:canonicalS... | Br.Br.NC(=N)SCCc1c[nH]cn1 | lld:chembl |
chemicalCompound:88038 | chemicalCompound:canonicalS... | [Br-].CCCC[N+](CCCC)(CCCC)CCCC | lld:chembl |
chemicalCompound:107931 | chemicalCompound:canonicalS... | [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C | lld:chembl |
chemicalCompound:851548 | chemicalCompound:canonicalS... | [Br-].CC(=O)OCC[N+](C)(C)C | lld:chembl |
chemicalCompound:246954 | chemicalCompound:canonicalS... | [Br-].CCCCCCCC[N+](C)(C)C | lld:chembl |
chemicalCompound:195756 | chemicalCompound:canonicalS... | [Br-].CCCCCCCCCC[N+](C)(C)C | lld:chembl |
chemicalCompound:182662 | chemicalCompound:canonicalS... | [Br-].CCCCCCCCCCCC[N+](C)(C)C | lld:chembl |
chemicalCompound:79557 | chemicalCompound:canonicalS... | [Br-].CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C | lld:chembl |
chemicalCompound:1059667 | chemicalCompound:canonicalS... | [Na+].[Br-] | lld:chembl |
chemicalCompound:695900 | chemicalCompound:canonicalS... | I | lld:chembl |
chemicalCompound:308054 | chemicalCompound:canonicalS... | [I-] | lld:chembl |
chemicalCompound:1059668 | chemicalCompound:canonicalS... | [Na+].[I-] | lld:chembl |
chemicalCompound:674318 | chemicalCompound:canonicalS... | [I-].CCOP(=O)(OCC)SCC[N+](C)(C)C | lld:chembl |
chemicalCompound:62687 | chemicalCompound:canonicalS... | C | lld:chembl |
chemicalCompound:293569 | chemicalCompound:canonicalS... | [Na+].[O-]C(=O)CF | lld:chembl |
chemicalCompound:674881 | chemicalCompound:canonicalS... | [Na+].COCCCOc1ccnc(CS(=O)c2nc3ccccc3[n-]2)c1C | lld:chembl |
chemicalCompound:1058776 | chemicalCompound:canonicalS... | [Na+].[S-]C#N | lld:chembl |
chemicalCompound:674359 | chemicalCompound:canonicalS... | [Na+].COc1ccnc(CS(=O)c2nc3cc(OC(F)F)ccc3[n-]2)c1OC | lld:chembl |
chemicalCompound:1078497 | chemicalCompound:canonicalS... | [Na+].Cc1ccc(cc1)S(=O)(=O)[N-]Cl | lld:chembl |
chemicalCompound:38588 | chemicalCompound:canonicalS... | [Na+].CCC#CC(C)C1(CC=C)C(=O)N=C([O-])N(C)C1=O | lld:chembl |
chemicalCompound:1103972 | chemicalCompound:canonicalS... | O.[Na+].CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1 | lld:chembl |
chemicalCompound:674367 | chemicalCompound:canonicalS... | [Na+].CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1 | lld:chembl |
chemicalCompound:178547 | chemicalCompound:canonicalS... | [Na+].[N-]=[N+]=[N-] | lld:chembl |
chemicalCompound:983152 | chemicalCompound:canonicalS... | [Na+].[O-]Cl(=O)=O | lld:chembl |
chemicalCompound:1058780 | chemicalCompound:canonicalS... | [K+].[Br-] | lld:chembl |
chemicalCompound:178545 | chemicalCompound:canonicalS... | [K+].[I-] | lld:chembl |
chemicalCompound:693216 | chemicalCompound:canonicalS... | [Ag+] | lld:chembl |
chemicalCompound:642358 | chemicalCompound:canonicalS... | N | lld:chembl |
chemicalCompound:674690 | chemicalCompound:canonicalS... | S | lld:chembl |
chemicalCompound:49038 | chemicalCompound:canonicalS... | [Cl-].CCCCCCCCCCCCCCCC[n+]1ccccc1 | lld:chembl |
chemicalCompound:624125 | chemicalCompound:canonicalS... | COC(=O)CCC(=O)CN | lld:chembl |
chemicalCompound:112419 | chemicalCompound:canonicalS... | [O-]C(=O)c1cccc(c1)[N+]#N | lld:chembl |
chemicalCompound:1122132 | chemicalCompound:canonicalS... | [O-]ON=O | lld:chembl |
chemicalCompound:112420 | chemicalCompound:canonicalS... | [O-]S(=O)(=O)c1cccc(c1)[N+]#N | lld:chembl |
chemicalCompound:112460 | chemicalCompound:canonicalS... | [O-]S(=O)(=O)c1ccc(cc1)[N+]#N | lld:chembl |
chemicalCompound:348351 | chemicalCompound:canonicalS... | [N-]=[N+]=[N-] | lld:chembl |
chemicalCompound:63019 | chemicalCompound:canonicalS... | CN | lld:chembl |
chemicalCompound:240352 | chemicalCompound:canonicalS... | CNO | lld:chembl |
chemicalCompound:303351 | chemicalCompound:canonicalS... | F[Al-3](F)(F)(F)(F)F | lld:chembl |
chemicalCompound:303239 | chemicalCompound:canonicalS... | F[Fe-3](F)(F)(F)(F)F | lld:chembl |
chemicalCompound:665311 | chemicalCompound:canonicalS... | NO | lld:chembl |
chemicalCompound:627419 | chemicalCompound:canonicalS... | O | lld:chembl |
chemicalCompound:13617 | chemicalCompound:canonicalS... | CO | lld:chembl |
chemicalCompound:195974 | chemicalCompound:canonicalS... | [Cl-].CC(=O)OCC[N+](C)(C)C | lld:chembl |
chemicalCompound:653954 | chemicalCompound:canonicalS... | CCCCCCCCCCCC[N+](C)(C)C | lld:chembl |
chemicalCompound:65961 | chemicalCompound:canonicalS... | C[N+](C)(C)C | lld:chembl |
chemicalCompound:5467 | chemicalCompound:canonicalS... | CC[N+](CC)(CC)CC | lld:chembl |
chemicalCompound:171469 | chemicalCompound:canonicalS... | CC(O)C[N+](C)(C)C | lld:chembl |
chemicalCompound:83143 | chemicalCompound:canonicalS... | C[N+](C)(C)CCO | lld:chembl |
chemicalCompound:33060 | chemicalCompound:canonicalS... | C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C | lld:chembl |
chemicalCompound:27812 | chemicalCompound:canonicalS... | CC(=O)OCC[N+](C)(C)C | lld:chembl |
chemicalCompound:675292 | chemicalCompound:canonicalS... | CCOP(=O)(OCC)SCC[N+](C)(C)C | lld:chembl |
chemicalCompound:68251 | chemicalCompound:canonicalS... | C[N+](C)(C)CC#CCN1CCCC1=O | lld:chembl |
chemicalCompound:203048 | chemicalCompound:canonicalS... | C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C | lld:chembl |
chemicalCompound:698546 | chemicalCompound:canonicalS... | CCCC[N+](CCCC)(CCCC)CCCC | lld:chembl |
chemicalCompound:657555 | chemicalCompound:canonicalS... | CCCCCCCCCCCCCCCC[N+](C)(C)C | lld:chembl |
chemicalCompound:171685 | chemicalCompound:canonicalS... | CC[N+](C)(C)C | lld:chembl |
chemicalCompound:654929 | chemicalCompound:canonicalS... | CCCCCCCC[N+](C)(C)C | lld:chembl |
chemicalCompound:654251 | chemicalCompound:canonicalS... | CCCCCCCCCC[N+](C)(C)C | lld:chembl |
chemicalCompound:673030 | chemicalCompound:canonicalS... | CC[N+](C)(C)Cc1ccccc1Br | lld:chembl |
chemicalCompound:227279 | chemicalCompound:canonicalS... | CC(=O)CCC[N+](C)(C)C | lld:chembl |
chemicalCompound:151408 | chemicalCompound:canonicalS... | CC[N+](C)(C)c1cccc(O)c1 | lld:chembl |
chemicalCompound:114108 | chemicalCompound:canonicalS... | CCCCCCCCCCCCCCCC[n+]1ccccc1 | lld:chembl |
chemicalCompound:247401 | chemicalCompound:canonicalS... | C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1 | lld:chembl |
chemicalCompound:659062 | chemicalCompound:canonicalS... | CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC | lld:chembl |
chemicalCompound:652160 | chemicalCompound:canonicalS... | Nc1ccc2nc3ccc(N)cc3[s+]c2c1 | lld:chembl |
chemicalCompound:171437 | chemicalCompound:canonicalS... | C[S+](C)CCO | lld:chembl |
chemicalCompound:609979 | chemicalCompound:canonicalS... | CC1(C)CCCC(C)(C)N1[O] | lld:chembl |
chemicalCompound:674747 | chemicalCompound:canonicalS... | O.ClCCN(CCCl)P1(=O)NCCCO1 | lld:chembl |
chemicalCompound:191204 | chemicalCompound:canonicalS... | Sc1ccccc1 | lld:chembl |
chemicalCompound:182886 | chemicalCompound:canonicalS... | Sc1nc2ccccc2s1 | lld:chembl |
chemicalCompound:1077152 | chemicalCompound:canonicalS... | Sc1ncccn1 | lld:chembl |
chemicalCompound:697891 | chemicalCompound:canonicalS... | Sc1ccccn1 | lld:chembl |
chemicalCompound:694194 | chemicalCompound:canonicalS... | COC(=O)[C@@H](N)CS | lld:chembl |
chemicalCompound:21036 | chemicalCompound:canonicalS... | NCCS | lld:chembl |
chemicalCompound:664223 | chemicalCompound:canonicalS... | CC(=O)SCCN | lld:chembl |
chemicalCompound:424815 | chemicalCompound:canonicalS... | OCCS | lld:chembl |
chemicalCompound:33366 | chemicalCompound:canonicalS... | CSCCO | lld:chembl |
chemicalCompound:1237727 | chemicalCompound:canonicalS... | CC(C)S | lld:chembl |
chemicalCompound:1239376 | chemicalCompound:canonicalS... | CCSCCSP(=O)(OC)OC | lld:chembl |
chemicalCompound:483893 | chemicalCompound:canonicalS... | CCOP(=S)(OCC)SCSCC | lld:chembl |
chemicalCompound:1047718 | chemicalCompound:canonicalS... | OS(=O)(=O)CC(S)CS | lld:chembl |
chemicalCompound:454382 | chemicalCompound:canonicalS... | OCC(S)CS | lld:chembl |
chemicalCompound:704816 | chemicalCompound:canonicalS... | CN(C)C(=O)N=NC(=O)N(C)C | lld:chembl |
chemicalCompound:762784 | chemicalCompound:canonicalS... | CN(C)C(=O)N=NC(=O)N(C)C | lld:chembl |
chemicalCompound:783397 | chemicalCompound:canonicalS... | CN(C)C(=O)N=NC(=O)N(C)C | lld:chembl |
chemicalCompound:543 | chemicalCompound:canonicalS... | CC(N)Cc1ccccc1 | lld:chembl |
chemicalCompound:23199 | chemicalCompound:canonicalS... | C[C@H](N)Cc1ccccc1 | lld:chembl |
chemicalCompound:675152 | chemicalCompound:canonicalS... | CN[C@@H](C)Cc1ccccc1 | lld:chembl |
chemicalCompound:23198 | chemicalCompound:canonicalS... | C[C@@H](N)Cc1ccccc1 | lld:chembl |
chemicalCompound:436 | chemicalCompound:canonicalS... | COc1cc(CC(C)N)c(OC)cc1I | lld:chembl |
chemicalCompound:66613 | chemicalCompound:canonicalS... | CNC(C)Cc1ccc2OCOc2c1 | lld:chembl |
chemicalCompound:23056 | chemicalCompound:canonicalS... | NCCc1ccccc1 | lld:chembl |
chemicalCompound:36995 | chemicalCompound:canonicalS... | COc1ccc(CCN)cc1OC | lld:chembl |
chemicalCompound:166039 | chemicalCompound:canonicalS... | COc1ccc(CCN)cc1 | lld:chembl |
chemicalCompound:11694 | chemicalCompound:canonicalS... | NCc1ccccc1 | lld:chembl |
chemicalCompound:285747 | chemicalCompound:canonicalS... | CNc1ccccc1 | lld:chembl |
chemicalCompound:190174 | chemicalCompound:canonicalS... | CC(C)N | lld:chembl |
chemicalCompound:16810 | chemicalCompound:canonicalS... | CN(C)C | lld:chembl |
chemicalCompound:13396 | chemicalCompound:canonicalS... | CCCN | lld:chembl |
chemicalCompound:13397 | chemicalCompound:canonicalS... | CCN | lld:chembl |
chemicalCompound:27647 | chemicalCompound:canonicalS... | NC12CC3CC(CC(C3)C1)C2 | lld:chembl |
chemicalCompound:1158093 | chemicalCompound:canonicalS... | NC1CCCCC1 | lld:chembl |
chemicalCompound:13361 | chemicalCompound:canonicalS... | CCCCN | lld:chembl |
chemicalCompound:13395 | chemicalCompound:canonicalS... | CC(C)(C)N | lld:chembl |
chemicalCompound:83540 | chemicalCompound:canonicalS... | CCCCCCCCCCCCCCCCCCN | lld:chembl |
chemicalCompound:52523 | chemicalCompound:canonicalS... | CC12CC3CC(C)(C1)CC(N)(C3)C2 | lld:chembl |
chemicalCompound:22324 | chemicalCompound:canonicalS... | CC(N)c1ccccc1 | lld:chembl |
chemicalCompound:23058 | chemicalCompound:canonicalS... | C[C@H](N)c1ccccc1 | lld:chembl |
chemicalCompound:22882 | chemicalCompound:canonicalS... | C[C@@H](N)c1ccccc1 | lld:chembl |
chemicalCompound:28609 | chemicalCompound:canonicalS... | Nc1ccc2ccccc2c1 | lld:chembl |
chemicalCompound:90130 | chemicalCompound:canonicalS... | Nc1cccc2ccccc12 | lld:chembl |
chemicalCompound:134097 | chemicalCompound:canonicalS... | ONc1cccc2ccccc12 | lld:chembl |
chemicalCompound:13338 | chemicalCompound:canonicalS... | Nc1ccccc1 | lld:chembl |
chemicalCompound:134383 | chemicalCompound:canonicalS... | Nc1ccc2cc3ccccc3cc2c1 | lld:chembl |
chemicalCompound:134221 | chemicalCompound:canonicalS... | Nc1cccc2cc3ccccc3cc12 | lld:chembl |
chemicalCompound:1158449 | chemicalCompound:canonicalS... | Cc1cc(N)c(C)cc1N | lld:chembl |
chemicalCompound:90253 | chemicalCompound:canonicalS... | Nc1cccc(F)c1 | lld:chembl |
chemicalCompound:322230 | chemicalCompound:canonicalS... | Nc1ccccc1F | lld:chembl |
chemicalCompound:42402 | chemicalCompound:canonicalS... | Nc1ccc(F)cc1 | lld:chembl |
chemicalCompound:914710 | chemicalCompound:canonicalS... | Cc1ccc(N)c(C)c1 | lld:chembl |
chemicalCompound:692389 | chemicalCompound:canonicalS... | Cc1ccc(N)cc1C | lld:chembl |
chemicalCompound:764677 | chemicalCompound:canonicalS... | Cc1cccc(C)c1N | lld:chembl |
chemicalCompound:418305 | chemicalCompound:canonicalS... | Cc1ccc(C)c(N)c1 | lld:chembl |
chemicalCompound:74690 | chemicalCompound:canonicalS... | CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1 | lld:chembl |
chemicalCompound:820024 | chemicalCompound:canonicalS... | CC(C)(C)NC[C@H](O)c1cc(Cl)c(N)c(Cl)c1 | lld:chembl |
chemicalCompound:453532 | chemicalCompound:canonicalS... | CC(C)(N)Cc1ccccc1 | lld:chembl |
chemicalCompound:89669 | chemicalCompound:canonicalS... | COc1cc(CCN)c(OC)cc1Br | lld:chembl |
chemicalCompound:150586 | chemicalCompound:canonicalS... | [O-][N+](=O)c1ccc(Nc2ccc(cc2)N=C=S)cc1 | lld:chembl |
chemicalCompound:581704 | chemicalCompound:canonicalS... | Nc1ccc(Nc2ccccc2)cc1 | lld:chembl |
chemicalCompound:1370 | chemicalCompound:canonicalS... | CC(C)NCC(O)COc1cccc2ccccc12 | lld:chembl |
chemicalCompound:10099 | chemicalCompound:canonicalS... | CC(C)NC[C@@H](O)COc1cccc2ccccc12 | lld:chembl |
chemicalCompound:8543 | chemicalCompound:canonicalS... | CC(C)NCC(O)COc1cccc2[nH]ccc12 | lld:chembl |
chemicalCompound:954517 | chemicalCompound:canonicalS... | CC(C)NC[C@@H](O)COc1cccc2[nH]ccc12 | lld:chembl |
chemicalCompound:190074 | chemicalCompound:canonicalS... | CC(C)NC[C@H](O)COc1cccc2[nH]ccc12 | lld:chembl |
chemicalCompound:675161 | chemicalCompound:canonicalS... | CCC(=O)c1ccc2Sc3ccccc3N(CC(C)N(C)C)c2c1 | lld:chembl |
chemicalCompound:454076 | chemicalCompound:canonicalS... | CN[C@@H](C)[C@@H](O)c1ccccc1 | lld:chembl |
chemicalCompound:27417 | chemicalCompound:canonicalS... | CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1 | lld:chembl |
chemicalCompound:43354 | chemicalCompound:canonicalS... | COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1 | lld:chembl |
chemicalCompound:75752 | chemicalCompound:canonicalS... | C#CCN[C@@H]1CCc2ccccc12 | lld:chembl |
chemicalCompound:16444 | chemicalCompound:canonicalS... | C1CCNCC1 | lld:chembl |
chemicalCompound:321600 | chemicalCompound:canonicalS... | CN(C)c1ccccc1 | lld:chembl |
chemicalCompound:993377 | chemicalCompound:canonicalS... | CN(C)c1ccc(cc1)N=O | lld:chembl |
chemicalCompound:1218229 | chemicalCompound:canonicalS... | CCCCN(CCCC)CCCC | lld:chembl |
chemicalCompound:47601 | chemicalCompound:canonicalS... | CCN(CC)CC | lld:chembl |
chemicalCompound:460417 | chemicalCompound:canonicalS... | OCCN(CCO)CCO | lld:chembl |
chemicalCompound:195686 | chemicalCompound:canonicalS... | CCN(CC)CCO | lld:chembl |
chemicalCompound:16581 | chemicalCompound:canonicalS... | CCN(CC)CCOC(=O)c1ccc(N)cc1 | lld:chembl |
chemicalCompound:209594 | chemicalCompound:canonicalS... | CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC | lld:chembl |
chemicalCompound:652997 | chemicalCompound:canonicalS... | CCN(CC)CCOC(=O)c1ccc(N)cc1Cl | lld:chembl |
chemicalCompound:4652 | chemicalCompound:canonicalS... | CC(Cc1ccccc1)N(C)CC#C | lld:chembl |
chemicalCompound:96021 | chemicalCompound:canonicalS... | C[C@H](Cc1ccccc1)N(C)CC#C | lld:chembl |
chemicalCompound:583530 | chemicalCompound:canonicalS... | COc1ccc2Sc3ccccc3N(C[C@H](C)CN(C)C)c2c1 | lld:chembl |
chemicalCompound:19316 | chemicalCompound:canonicalS... | CCCN(CCC)CCc1cccc2NC(=O)Cc12 | lld:chembl |
chemicalCompound:1044766 | chemicalCompound:canonicalS... | COc1cc2C[C@@H]3N(C)[C@@H](Cc4cc5OCOc5cc34)c2cc1OC | lld:chembl |
chemicalCompound:1219 | chemicalCompound:canonicalS... | COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC | lld:chembl |
chemicalCompound:171436 | chemicalCompound:canonicalS... | CN(C)CCO | lld:chembl |
chemicalCompound:420985 | chemicalCompound:canonicalS... | CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12 | lld:chembl |
chemicalCompound:403442 | chemicalCompound:canonicalS... | CCN(CC)CCOc1cccc(OCCN(CC)CC)c1OCCN(CC)CC | lld:chembl |
chemicalCompound:90941 | chemicalCompound:canonicalS... | CN1CCCc2ccccc12 | lld:chembl |
chemicalCompound:147956 | chemicalCompound:canonicalS... | CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1 | lld:chembl |
chemicalCompound:668616 | chemicalCompound:canonicalS... | CCN(CC)C(C)C(=O)c1ccccc1 | lld:chembl |
chemicalCompound:9989 | chemicalCompound:canonicalS... | CN(C)CCc1c[nH]c2ccc(O)cc12 | lld:chembl |
chemicalCompound:2232 | chemicalCompound:canonicalS... | COc1ccc2[nH]cc(CCN(C)C)c2c1 | lld:chembl |
chemicalCompound:174802 | chemicalCompound:canonicalS... | ONc1ccccc1 | lld:chembl |
chemicalCompound:47819 | chemicalCompound:canonicalS... | CN(C)c1ccc(N)cc1 | lld:chembl |
chemicalCompound:71335 | chemicalCompound:canonicalS... | NCCCCN | lld:chembl |
chemicalCompound:128103 | chemicalCompound:canonicalS... | CC(=O)NCCCCN | lld:chembl |
chemicalCompound:195271 | chemicalCompound:canonicalS... | NCCCCCN | lld:chembl |
chemicalCompound:55080 | chemicalCompound:canonicalS... | NCCN | lld:chembl |
chemicalCompound:10661 | chemicalCompound:canonicalS... | COc1ccc(CN(CCN(C)C)c2ccccn2)cc1 | lld:chembl |
chemicalCompound:67617 | chemicalCompound:canonicalS... | CC[C@@H](CO)NCCN[C@@H](CC)CO | lld:chembl |
chemicalCompound:292993 | chemicalCompound:canonicalS... | NCCCN | lld:chembl |
chemicalCompound:107905 | chemicalCompound:canonicalS... | NCCCCCCN | lld:chembl |
chemicalCompound:743343 | chemicalCompound:canonicalS... | CC(N)CN | lld:chembl |
chemicalCompound:88815 | chemicalCompound:canonicalS... | CCCN[C@H]1CCc2nc(N)sc2C1 | lld:chembl |
chemicalCompound:111490 | chemicalCompound:canonicalS... | Nc1ccccc1N | lld:chembl |
chemicalCompound:1019798 | chemicalCompound:canonicalS... | Nc1cccc(N)c1 | lld:chembl |
chemicalCompound:421550 | chemicalCompound:canonicalS... | Nc1ccc(N)cc1 | lld:chembl |
chemicalCompound:568125 | chemicalCompound:canonicalS... | Nc1cccc2c(N)cccc12 | lld:chembl |
chemicalCompound:686046 | chemicalCompound:canonicalS... | NCCNc1cccc2ccccc12 | lld:chembl |
chemicalCompound:10389 | chemicalCompound:canonicalS... | COc1cc(NC(C)CCCN)c2ncccc2c1 | lld:chembl |
chemicalCompound:872902 | chemicalCompound:canonicalS... | CC(C)Nc1ccc(Nc2ccccc2)cc1 | lld:chembl |
chemicalCompound:449953 | chemicalCompound:canonicalS... | CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO | lld:chembl |
chemicalCompound:400148 | chemicalCompound:canonicalS... | CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO | lld:chembl |
chemicalCompound:366659 | chemicalCompound:canonicalS... | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC | lld:chembl |
chemicalCompound:427437 | chemicalCompound:canonicalS... | CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC | lld:chembl |
chemicalCompound:395150 | chemicalCompound:canonicalS... | CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCC | lld:chembl |
chemicalCompound:452760 | chemicalCompound:canonicalS... | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC | lld:chembl |
chemicalCompound:1179493 | chemicalCompound:canonicalS... | CCCCCCCCCCCCCCC[C@@H](O)[C@H](C)N | lld:chembl |
chemicalCompound:144940 | chemicalCompound:canonicalS... | CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 | lld:chembl |
chemicalCompound:44648 | chemicalCompound:canonicalS... | CNCC(O)c1ccc(O)cc1 | lld:chembl |
chemicalCompound:464024 | chemicalCompound:canonicalS... | CNC[C@H](O)c1ccc(O)cc1 | lld:chembl |
chemicalCompound:195479 | chemicalCompound:canonicalS... | OCCNCCO | lld:chembl |
chemicalCompound:172066 | chemicalCompound:canonicalS... | NCCO | lld:chembl |
chemicalCompound:172064 | chemicalCompound:canonicalS... | CNCCO | lld:chembl |
chemicalCompound:700484 | chemicalCompound:canonicalS... | CNCC(O)c1ccccc1 | lld:chembl |
chemicalCompound:21940 | chemicalCompound:canonicalS... | NCC(O)c1ccccc1 | lld:chembl |
chemicalCompound:219334 | chemicalCompound:canonicalS... | CNC[C@H](O)c1cccc(O)c1 | lld:chembl |
chemicalCompound:34094 | chemicalCompound:canonicalS... | CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 | lld:chembl |
chemicalCompound:111482 | chemicalCompound:canonicalS... | CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1 | lld:chembl |
chemicalCompound:78400 | chemicalCompound:canonicalS... | NCC(O)c1ccc(O)cc1 | lld:chembl |
chemicalCompound:642242 | chemicalCompound:canonicalS... | NC[C@H](O)c1ccc(O)cc1 | lld:chembl |
chemicalCompound:453827 | chemicalCompound:canonicalS... | CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C | lld:chembl |
chemicalCompound:761725 | chemicalCompound:canonicalS... | CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)[C@@H](O)CNC(C)(C)C | lld:chembl |
chemicalCompound:351701 | chemicalCompound:canonicalS... | CN[C@@H](C)[C@H](O)c1ccccc1 | lld:chembl |
chemicalCompound:675270 | chemicalCompound:canonicalS... | C[C@H](N)[C@H](O)c1cccc(O)c1 | lld:chembl |
chemicalCompound:642262 | chemicalCompound:canonicalS... | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | lld:chembl |
chemicalCompound:675213 | chemicalCompound:canonicalS... | CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 | lld:chembl |
chemicalCompound:195917 | chemicalCompound:canonicalS... | OCCN1CCCCC1 | lld:chembl |
chemicalCompound:22279 | chemicalCompound:canonicalS... | N[C@H](CO)Cc1c[nH]cn1 | lld:chembl |
chemicalCompound:789 | chemicalCompound:canonicalS... | COCCc1ccc(OCC(O)CNC(C)C)cc1 | lld:chembl |
chemicalCompound:138698 | chemicalCompound:canonicalS... | COc1ccc(CCNCC(O)COc2cccc(C)c2)cc1OC | lld:chembl |
chemicalCompound:1354 | chemicalCompound:canonicalS... | CC(C)NCC(O)COc1ccc(CCOCC2CC2)cc1 | lld:chembl |
chemicalCompound:793298 | chemicalCompound:canonicalS... | CC(C)NC[C@@H](O)COc1ccc(CCOCC2CC2)cc1 | lld:chembl |
chemicalCompound:675225 | chemicalCompound:canonicalS... | CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1 | lld:chembl |
chemicalCompound:675188 | chemicalCompound:canonicalS... | CC(C)(C)NC[C@H](O)COc1cccc2C(=O)CCCc12 | lld:chembl |
chemicalCompound:674930 | chemicalCompound:canonicalS... | CC(C)(CO)[C@@H](O)C(=O)NCCCO | lld:chembl |
chemicalCompound:619033 | chemicalCompound:canonicalS... | CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O | lld:chembl |
chemicalCompound:205710 | chemicalCompound:canonicalS... | O=C1CNC(=O)CN1 | lld:chembl |
chemicalCompound:1323931 | chemicalCompound:canonicalS... | Oc1ccc(CC2NC(=O)C(Cc3ccc(O)cc3)NC2=O)cc1 | lld:chembl |
chemicalCompound:317465 | chemicalCompound:canonicalS... | Oc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1 | lld:chembl |
chemicalCompound:1282935 | chemicalCompound:canonicalS... | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC1=O | lld:chembl |
chemicalCompound:375011 | chemicalCompound:canonicalS... | CCCCCC[C@H](C)[C@H]1OC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1C)C(C)C | lld:chembl |
chemicalCompound:375012 | chemicalCompound:canonicalS... | CCCCCC[C@H](C)C[C@H](C)[C@H]1OC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1C)C(C)C | lld:chembl |
chemicalCompound:444640 | chemicalCompound:canonicalS... | CC(C)C[C@@H]1N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC1=O)C(C)C)C(C)C)C(C)C | lld:chembl |
chemicalCompound:444639 | chemicalCompound:canonicalS... | CC(C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@H](C(C)C)N(C)C1=O)C(C)C)C(C)C | lld:chembl |
chemicalCompound:85248 | chemicalCompound:canonicalS... | OC(=O)CNC(=O)[C@@H]1CCCN1 | lld:chembl |
chemicalCompound:37820 | chemicalCompound:canonicalS... | CC(=O)NO | lld:chembl |
chemicalCompound:445815 | chemicalCompound:canonicalS... | COc1ccc2N(O)C(=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)Oc2c1 | lld:chembl |
chemicalCompound:483766 | chemicalCompound:canonicalS... | OC1Oc2ccccc2N(O)C1=O | lld:chembl |
chemicalCompound:1228974 | chemicalCompound:canonicalS... | CCCCCCCCCC(=O)NO | lld:chembl |
chemicalCompound:153408 | chemicalCompound:canonicalS... | CCCCOc1ccc(CC(=O)NO)cc1 | lld:chembl |
chemicalCompound:10013 | chemicalCompound:canonicalS... | CC(=O)N1CCCCC1 | lld:chembl |
chemicalCompound:15938 | chemicalCompound:canonicalS... | CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN | lld:chembl |
chemicalCompound:503370 | chemicalCompound:canonicalS... | ON1CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC1=O | lld:chembl |
chemicalCompound:89526 | chemicalCompound:canonicalS... | NC(=N)NC(=O)c1nc(Cl)c(N)nc1N | lld:chembl |
chemicalCompound:23430 | chemicalCompound:canonicalS... | CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C | lld:chembl |
chemicalCompound:286219 | chemicalCompound:canonicalS... | NC(=O)C1CC1 | lld:chembl |
chemicalCompound:4228 | chemicalCompound:canonicalS... | CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O | lld:chembl |
chemicalCompound:495491 | chemicalCompound:canonicalS... | CCCC(=O)CC(=O)N[C@H]1CCOC1=O | lld:chembl |
chemicalCompound:507680 | chemicalCompound:canonicalS... | CCCCCCCCCC(=O)CC(=O)NC1CCOC1=O | lld:chembl |
chemicalCompound:344196 | chemicalCompound:canonicalS... | CCCCCCCCCC(=O)CC(=O)N[C@@H]1CCOC1=O | lld:chembl |
chemicalCompound:504160 | chemicalCompound:canonicalS... | NC(=O)c1cccc2nc3ccccc3nc12 | lld:chembl |
chemicalCompound:6723 | chemicalCompound:canonicalS... | CCN(CC)CC(=O)Nc1c(C)cccc1C | lld:chembl |
chemicalCompound:675163 | chemicalCompound:canonicalS... | COc1ccc(OC)c(c1)C(O)CNC(=O)CN | lld:chembl |
chemicalCompound:688491 | chemicalCompound:canonicalS... | NC(=O)[C@@H]1CCCN1 | lld:chembl |
chemicalCompound:122828 | chemicalCompound:canonicalS... | CCNCC(=O)Nc1c(C)cccc1C | lld:chembl |
chemicalCompound:257241 | chemicalCompound:canonicalS... | Cc1cccc(C)c1NC(=O)CN | lld:chembl |
chemicalCompound:208749 | chemicalCompound:canonicalS... | CCCNC(C)C(=O)Nc1ccccc1C | lld:chembl |
chemicalCompound:6883 | chemicalCompound:canonicalS... | CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C | lld:chembl |
chemicalCompound:23522 | chemicalCompound:canonicalS... | NC(=O)c1cnccn1 | lld:chembl |
chemicalCompound:175447 | chemicalCompound:canonicalS... | NC(=O)c1cccnc1 | lld:chembl |
chemicalCompound:9951 | chemicalCompound:canonicalS... | CNC(=O)c1cccnc1 | lld:chembl |
chemicalCompound:276734 | chemicalCompound:canonicalS... | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 | lld:chembl |
chemicalCompound:1277553 | chemicalCompound:canonicalS... | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1 | lld:chembl |
chemicalCompound:458904 | chemicalCompound:canonicalS... | NC(=O)c1nc[nH]c1N | lld:chembl |
chemicalCompound:698632 | chemicalCompound:canonicalS... | CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl | lld:chembl |
chemicalCompound:705606 | chemicalCompound:canonicalS... | Cl.Cc1ncc(CNC(=O)N(CCCl)N=O)c(N)n1 | lld:chembl |
chemicalCompound:612198 | chemicalCompound:canonicalS... | Clc1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 | lld:chembl |
chemicalCompound:526026 | chemicalCompound:canonicalS... | FC(F)(F)c1cc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)ccc1Cl | lld:chembl |
chemicalCompound:4730 | chemicalCompound:canonicalS... | NC(=O)NO | lld:chembl |
chemicalCompound:104359 | chemicalCompound:canonicalS... | OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O | lld:chembl |
chemicalCompound:8516 | chemicalCompound:canonicalS... | CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1 | lld:chembl |
chemicalCompound:16509 | chemicalCompound:canonicalS... | CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1 | lld:chembl |
chemicalCompound:120129 | chemicalCompound:canonicalS... | OC(=O)C1CC(=O)NC(=O)N1 | lld:chembl |