ID large_stringlengths 7 13 | smiles stringlengths 1 288 | selfies stringlengths 3 1.14k | safe stringlengths 1 292 |
|---|---|---|---|
CHEMBL4944856 | Cc1ccnc(NS(=O)(=O)c2ccc(Nc3cc(-c4ccccc4)nc(C)n3)cc2)n1 | [C][C][=C][C][=N][C][Branch2][Ring2][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][C][C][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring2][=N][Ring2][Ring1][=C] | S5(=O)(=O)c1ccc8cc1.c17cc9nc(C)n1.Cc1ccnc6n1.c19ccccc1.N56.N78 |
CHEMBL4944857 | Cn1cnc2c(C(=O)NCc3cccc(F)c3)nn(-c3ccc(Cl)cc3)c2c1=O | [C][N][C][=N][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring2][Ring1][#Branch1][C][Ring2][Ring1][O][=O] | Cn1cnc2c6nn8c2c1=O.c17cccc(F)c1.c18ccc(Cl)cc1.C46=O.N45.C57 |
CHEMBL4944858 | O=S(=O)(NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1cccnc1 | [O][=S][=Branch1][C][=O][Branch2][Ring2][Ring2][N][C][C][=C][C][=N][C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][Ring1][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=S5(=O)c1cccnc1.c18ccnc6c1.N16CCN7CC1.c17ccc(F)cc1.N45.C48 |
CHEMBL4944859 | CCc1nc2c(s1)[C@@H](N(C)Cc1nnc(C3CC3)s1)CCC2 | [C][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C@@H1][Branch2][Ring1][Ring2][N][Branch1][C][C][C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2][C][C][C][Ring2][Ring1][C] | c15nc2c(s1)C(N4C)CCC2.c16nnc7s1.C17CC1.CC5.C46 |
CHEMBL4944860 | Cc1noc(C)c1CN(C)CCCN1C(=O)NC(C)(C)C1=O | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][=O] | N14C(=O)NC(C)(C)C1=O.Cc1noc(C)c15.C3CC4.N23C.C25 |
CHEMBL4944861 | Cc1ccc(CNC(=O)Cc2nnc(-c3ccccn3)o2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][O][Ring1][O][C][=C][Ring2][Ring1][=Branch1][C] | Cc1ccc7cc1C.c16nnc8o1.c18ccccn1.C4(=O)C6.C57.N45 |
CHEMBL4944862 | Cc1sc2cc(C(=O)NC(C)(C)C)[nH]c2c1CN1CCOCC1 | [C][C][S][C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][NH1][C][=Ring1][N][C][=Ring1][#C][C][N][C][C][O][C][C][Ring1][=Branch1] | Cc1sc2cc6[nH]c2c17.N15CCOCC1.C4(C)(C)C.C36=O.N34.C57 |
CHEMBL1310673 | O=C(O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 | [O][=C][Branch1][C][O][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][C] | c13cc5n4n1.c15ccc(Cl)cc1.c14ccccc1.O=C3O |
CHEMBL4944909 | O=C1CCCc2ccc(NC(=O)N3CCCC3)cc21 | [O][=C][C][C][C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][Ring2][Ring1][C] | O=C1CCCc2ccc6cc21.N15CCCC1.C45=O.N46 |
CHEMBL4945136 | CN(C(=O)N1CC2(CCOC2)C1)C1CCCCC1 | [C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][C][Ring1][Branch2][C][C][C][C][C][C][Ring1][=Branch1] | N14CC2(CCOC2)C1.C15CCCCC1.CN35.C34=O |
CHEMBL4945137 | COc1cccc(CNCc2ccc(F)cc2)c1OC[C@@H](O)CN1CCOCC1 | [C][O][C][=C][C][=C][C][Branch1][#C][C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][S][O][C][C@@H1][Branch1][C][O][C][N][C][C][O][C][C][Ring1][=Branch1] | c14cccc9c15.c1%10ccc(F)cc1.N18CCOCC1.C3C(O)C8.CO4.C69.N67.C7%10.O35 |
CHEMBL1310676 | COc1ccc(C(=O)NCCc2nnc3ccc(SCC(=O)Nc4cc(C)on4)nn23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][C][=N][N][=C][C][=C][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=N][N][Ring2][Ring1][Ring2][Ring1][P][C][=C][Ring2][Ring1][#C] | c1%12nnc2ccc%13nn12.c17ccc%11cc1.c1%10cc(C)on1.C9C6=O.C5%11=O.C8C%12.CO7.N58.S9%13.N6%10 |
CHEMBL1310678 | Cc1ccc(C(=O)NNC(=O)C2CCCN(c3ncccn3)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring1][Branch2] | Cc1ccc6cc1.C6(=O)NNC5=O.C15CCCN4C1.c14ncccn1 |
CHEMBL1310689 | COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cc2ccccc2o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c19cc2ccccc2o1.c15ccccc18.c1%10ccco1.C3(=O)C6.N467.C49=O.CO5.N38.C7%10 |
CHEMBL4945150 | N#CC1(C(=O)N2CCCO2)CCCCC1 | [N][#C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][O][Ring1][Branch1][C][C][C][C][C][Ring1][=N] | N#CC13CCCCC1.C3(=O)N1CCCO1 |
CHEMBL4945151 | CC(=O)N1CCC[C@H]1c1nc(CCOc2ccc(F)cc2)no1 | [C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=N][C][Branch1][#C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][Ring1][#C] | c15ccc(F)cc1.N13CCCC17.c17nc6no1.CC3=O.C6C4.O45 |
CHEMBL4945152 | COc1ccc(Cc2nc([C@H](C)N3CCCC3)n(CCO)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][C][N][=C][Branch1][N][C@H1][Branch1][C][C][N][C][C][C][C][Ring1][Branch1][N][Branch1][Ring2][C][C][O][N][=Ring1][#C][C][=C][Ring2][Ring1][=Branch1] | c14ccc9cc1.c17nc8n6n1.N15CCCC1.C58C.C6CO.CO4.C79 |
CHEMBL4945153 | Cc1ccc(NC(=O)c2cn(-c3cc(-c4nc(C5CC5)no4)ccn3)cn2)cc1C | [C][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][=Branch2][C][=C][C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][=C][C][=N][Ring1][=C][C][=N][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][N][C] | Cc1ccc7cc1C.c19cc%11ccn1.c18cn9cn1.c1%11nc%10no1.C68=O.C1%10CC1.N67 |
CHEMBL4945154 | CC1CN(S(=O)(=O)C2CCCN(C(=O)OCc3ccccc3)C2)CC[S+]([O-])C1 | [C][C][C][N][Branch2][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][C][C][S+1][Branch1][C][O-1][C][Ring2][Ring1][O] | S7(=O)(=O)C1CCCN5C1.CC1CN7CC[S+]([O-])C1.c18ccccc1.C45=O.O46.C68 |
CHEMBL4945155 | Cc1cccc(C)c1-n1c(=O)n(C[C@H]2CCCO2)c(=O)c2c1ncn2CCOc1ccccc1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C@H1][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][C][=C][Ring1][=C][N][=C][N][Ring1][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | n18c(=O)n5c(=O)c2c1ncn26.Cc1cccc(C)c18.c14ccccc1.C17CCCO1.C6C3.C57.O34 |
CHEMBL4945156 | CN(Cc1ccncn1)C(=O)c1csc2nc(-c3ccccc3)cn12 | [C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][=C][Ring1][O] | c16csc2nc8cn12.c17ccncn1.c18ccccc1.CN45.C46=O.C57 |
CHEMBL4945157 | CCS(=O)(=O)NC[C@H](C)N(C)Cc1cccc(OC)c1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] | c17cccc2c1.CCS6(=O)=O.C3C4C.N45C.N36.C57.O2C |
CHEMBL4945158 | O=C(N[C@H]1CC12CCN(C(=O)CC1CCCC1)CC2)c1ccccc1 | [O][=C][Branch2][Ring1][N][N][C@H1][C][C][Ring1][Ring1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | C15CC12CCN4CC2.c16ccccc1.C17CCCC1.C4(=O)C7.O=C36.N35 |
CHEMBL1306332 | Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)Nc3cc(C)on3)n12 | [C][C][=C][C][Branch1][C][C][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][N][Ring1][S][Ring2][Ring1][=Branch1] | Cc1cc(C)c2c(c1)cc(C)c1nnc7n12.c16cc(C)on1.C5C4=O.S57.N46 |
CHEMBL1306333 | Cc1ccc(NC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1F | [C][C][=C][C][=C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=C][F] | C5(=O)CN1C(=O)COc2ccc(S6(=O)=O)cc21.Cc1ccc7cc1F.N16CCOCC1.N57 |
CHEMBL1306334 | CCNC(=O)OCc1cn(-c2ccc(Cl)cc2)nn1 | [C][C][N][C][=Branch1][C][=O][O][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=N][Ring1][N] | c18ccc(Cl)cc1.c17cn8nn1.C34=O.CC6.N46.O35.C57 |
CHEMBL4945173 | Cc1n[nH]c(C)c1CCCN[C@@H](C)CN1CCCCCC1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][C][N][C@@H1][Branch1][C][C][C][N][C][C][C][C][C][C][Ring1][#Branch1] | Cc1n[nH]c(C)c15.N14CCCCCC1.C5CC2.C3(C)C4.N23 |
CHEMBL4945174 | FC(F)c1cc(NCCc2cc[nH]n2)n2ncnc2n1 | [F][C][Branch1][C][F][C][C][=C][Branch1][O][N][C][C][C][C][=C][NH1][N][=Ring1][Branch1][N][N][=C][N][=C][Ring1][Branch1][N][=Ring1][P] | c15cc4n2ncnc2n1.c16cc[nH]n1.FC5F.C3C6.N34 |
CHEMBL1306335 | Cc1ccc(C)c(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#C][=C][Ring2][Ring1][=Branch2] | S5(=O)(=O)c1cccnc1.Cc1ccc(C)c6c1.C17CCCN5C1.C47=O.N46 |
CHEMBL1306336 | NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1 | [N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N][=C][S][Ring2][Ring1][Branch1] | c16cc(S4(=O)=O)cs1.N14CCN5CC1.c15cccc(Cl)c1.NC6=O |
CHEMBL1306337 | Sc1nc(C2CCCCC2)nc2ccccc12 | [S][C][=N][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1] | Sc1nc3nc2ccccc12.C13CCCCC1 |
CHEMBL1306338 | O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)N1CCC(c2ccc(F)cc2)C1 | [O][=C][Branch2][Ring1][O][C][C][C][=N][N][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][O][Ring1][=C][N][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][N] | c16ccc2c(c1)OCO2.c17ccc(F)cc1.c15nnc6o1.N14CCC7C1.O=C4CC5 |
CHEMBL4934036 | C[C@](O)(CCc1ccccc1)C(=O)NCCc1ncc[nH]1 | [C][C@][Branch1][C][O][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][NH1][Ring1][Branch1] | CC(O)(CC5)C2=O.c15ccccc1.c14ncc[nH]1.C3C4.N23 |
CHEMBL4934037 | CC(=O)Nc1ccc(-c2c(-c3ccc4c(c3)OCO4)nn(-c3cc(C)ccc3C)c2OC(C)=O)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][=C][C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=N][N][Branch1][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][=Ring2][Ring1][=Branch1][O][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][S] | c1%10ccc2c(c1)OCO2.c1%11c%10nn9c17.c19cc(C)ccc1C.c18ccc%11cc1.CC6=O.C5(C)=O.N68.O57 |
CHEMBL4934038 | CN(C)c1ncc(CN[C@H]2CC(=O)N(C3CC3)C2)n1C | [C][N][Branch1][C][C][C][=N][C][=C][Branch2][Ring1][Ring2][C][N][C@H1][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=Branch2][N][Ring1][S][C] | c15ncc7n1C.C16CC(=O)N8C1.CN5C.C18CC1.C47.N46 |
CHEMBL1308106 | COc1cccc(NC(=O)CN(C)C(=O)c2ccc3ccccc3c2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch2] | c19ccc2ccccc2c1.c16cccc8c1.C4(=O)C7.N57C.C59=O.CO6.N48 |
CHEMBL1876750 | COc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][=Branch2] | S8(=O)(=O)c1ccc(Cl)s1.c16ccc7cc1.N14CCN8CC1.C5C4=O.CO6.O57 |
CHEMBL520280 | CSc1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccnc(NCc3ccco3)c2)[nH]1 | [C][S][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Branch2][Ring1][Ring2][C][=C][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=N][NH1][Ring2][Ring1][N] | c18nc9c%10[nH]1.c19cccc7c1.c1%10ccnc5c1.c16ccco1.C7(F)(F)F.CS8.N45.C46 |
CHEMBL521094 | COc1ccc(-c2cc(C(=O)NN)n(CC(O)COc3ccccc3OC)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][N][N][N][Branch2][Ring1][C][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][=Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] | c15ccc%10cc1.c1%10cc8n9n1.c16ccccc17.C9C(O)C4.C8(=O)NN.CO5.O46.O7C |
CHEMBL1369554 | Cc1c(C(=O)Nc2cccc(F)c2)oc2c1-c1nn(Cc3c(F)cccc3Cl)cc1CC2 | [C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][C][=C][Ring1][#C][C][=N][N][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][=C][C][C][Ring2][Ring1][C] | Cc1c6oc2c1-c1nn7cc1CC2.c18c(F)cccc1Cl.c15cccc(F)c1.C46=O.N45.C78 |
CHEMBL1369555 | Cc1cc(C)n(-c2ccc(C(=O)NC3CCCCC3)cc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][N][=Ring2][Ring1][Branch1] | Cc1cc(C)n7n1.c17ccc6cc1.C15CCCCC1.C46=O.N45 |
CHEMBL4941758 | CCCCn1nc(C)nc1-c1cc(C)nc2onc(C)c12 | [C][C][C][C][N][N][=C][Branch1][C][C][N][=C][Ring1][=Branch1][C][=C][C][Branch1][C][C][=N][C][O][N][=C][Branch1][C][C][C][Ring1][O][=Ring1][=Branch1] | c14cc(C)nc2onc(C)c12.n13nc(C)nc14.CCCC3 |
CHEMBL4941759 | CCn1cc(CN2CCC[C@@](F)(C(=O)NCC3CC3)C2)c(C)n1 | [C][C][N][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][C][C@@][Branch1][C][F][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][Ring1][=C][C][Branch1][C][C][=N][Ring2][Ring1][Branch1] | N15CCCC7(F)C1.n18cc%10c(C)n1.C47=O.C19CC1.CC8.C5%10.N46.C69 |
CHEMBL4941761 | Cc1ccccc1NC(=O)CN1CCC2(CC1)N=C(c1cccc(Cl)c1)C(=O)N2 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][#C] | N14CCC2(CC1)N=C(c1cccc(Cl)c1)C(=O)N2.Cc1ccccc15.C3(=O)C4.N35 |
CHEMBL4941762 | CCCc1cc(C(=O)NCc2cc3n(n2)CCCN(CCC)C3)cs1 | [C][C][C][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][Ring2][N][=Ring1][Branch1][C][C][C][N][Branch1][Ring2][C][C][C][C][Ring1][O][=C][S][Ring2][Ring1][=Branch1] | c19cc2n(n1)CCCN6C2.c18cc7cs1.CCC8.C47=O.C6CC.N45.C59 |
CHEMBL1369557 | Clc1ccc(OCc2nc(-c3ccc(Br)o3)no2)cc1 | [Cl][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][=N][C][Branch1][O][C][=C][C][=C][Branch1][C][Br][O][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] | Clc1ccc5cc1.c16nc7no1.c17ccc(Br)o1.O45.C46 |
CHEMBL1369558 | COC(CNC(=O)CN=C(S)N(Cc1ccccc1)Cc1cccnc1)OC | [C][O][C][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][C][S][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][C] | C2(=O)CN=C(S)N67.c18ccccc1.c19cccnc1.C34C5.CO3.N25.C68.C79.O4C |
CHEMBL1369681 | CCOC(=O)CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][N][Ring2][Ring1][Branch2][C] | c1%10ccc(S9(=O)=O)cc1.c1%12nnc%11n1C.N19CCCCC1.C4(=O)C8.C5%10=O.CC6.O46.S8%12.C7%11.N57 |
CHEMBL4941834 | C[C@H]1CC(c2ccc(F)cc2)=Nc2ccccc2N1 | [C][C@H1][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C] | CC1CC(c2ccc(F)cc2)=Nc2ccccc2N1 |
CHEMBL4941835 | CCCCCOC(=O)NC[C@H](O)c1ccccc1 | [C][C][C][C][C][O][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc1.CCCCC4.C5C6O.C23=O.O24.N35 |
CHEMBL4941836 | Cc1ccc(N2CCCC2=O)c(C(=O)N[C@H]2CCCc3c(O)cccc32)c1 | [C][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][Ring1][O][=C][Ring2][Ring1][#Branch2] | N4C1CCCc2c(O)cccc21.Cc1ccc6c5c1.N16CCCC1=O.C45=O |
CHEMBL4941837 | Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)Nc2cccc(Cl)c2C)n1 | [C][C][=N][O][C][Branch2][Ring2][C][C][=C][Branch1][C][C][NH1][C][Branch1][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][Branch2] | c15c(C)[nH]c(C)c1S3(=O)=O.c14cccc(Cl)c1C.Cc1noc5n1.N34 |
CHEMBL4941838 | Cc1c(CN2CCC3(CC2)c2ccccc2C[C@@H]3O)cc(C#N)n1C | [C][C][=C][Branch2][Ring1][=Branch2][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][O][O][C][=C][Branch1][Ring1][C][#N][N][Ring2][Ring1][#Branch1][C] | N14CCC2(CC1)c1ccccc1CC2O.Cc1c5cc(C#N)n1C.C45 |
CHEMBL1369683 | COC(=O)c1cc(NC2c3ccccc3C(=O)N2c2cccnc2)cc(C(=O)OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][#Branch2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][O] | N6C1c2ccccc2C(=O)N19.c17cc6cc8c1.c19cccnc1.C47=O.C58=O.CO4.O5C |
CHEMBL1370687 | Cc1ccc(C(=O)N[C@@H](C)CN2C3=NC[C@H](C(C)C)N3C[C@H]2Cc2ccc(O)cc2)cc1Br | [C][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][N][C][=N][C][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][C@H1][Ring1][O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#C][Br] | N16C2=NCC8N2CC19.Cc1ccc7cc1Br.c1%10ccc(O)cc1.C5(C)C6.C47=O.C8(C)C.N45.C9%10 |
CHEMBL1370688 | Cc1ccsc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 | [C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][N] | c14cccc(S3(=O)=O)c1.Cc1ccsc15.C25=O.N3(C)C.N24 |
CHEMBL4941902 | Nc1nnc(CCc2ccccc2N)[nH]1 | [N][C][=N][N][=C][Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][NH1][Ring1][=C] | c14ccccc1N.Nc1nnc3[nH]1.C3C4 |
CHEMBL4941903 | CC[C@@H](C(=O)NCCOC)N(c1ccc(OC)cc1)c1nc(-c2ccc(F)cc2)cs1 | [C][C][C@@H1][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][O][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][S][Ring1][N] | c19ccc5cc1.c1%10ccc(F)cc1.CCC6C3=O.c18nc%10cs1.C7C4.N689.N37.O4C.O5C |
CHEMBL4941904 | CCN(Cc1noc(CC(C)C)n1)C(=O)c1cc(C)[nH]c(=O)c1 | [C][C][N][Branch1][P][C][C][=N][O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=N][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2] | c15cc(C)[nH]c(=O)c1.c16noc7n1.C7C(C)C.N234.C25=O.CC3.C46 |
CHEMBL4941905 | Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NC(=O)c1ccoc1 | [C][C][=N][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1] | Cc1nn5c(C)c1S3(=O)=O.c14ccoc1.C5C(C)C.C24=O.N23 |
CHEMBL1370691 | CNC(=O)c1cc2cc(OC)ccc2n1CCN(C)C | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][N][Ring1][O][C][C][N][Branch1][C][C][C] | c16cc2cc4ccc2n17.C36=O.C7C5.N5(C)C.CN3.O4C |
CHEMBL1370693 | [O-][S+](N1CCCCCC1)C12CC3CC(CC(C3)C1)C2 | [O-1][S+1][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] | [O-][S+](N1CCCCCC1)C12CC3CC(CC(C3)C1)C2 |
CHEMBL1370815 | Cc1cc(C)c(NC(=O)C(C)Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring1][P][S][Ring2][Ring1][Ring2][C][Branch1][C][C][=C][Ring2][Ring2][C] | N19C(=O)c2ccccc2C1=O.c1%10nc2ccc9cc2s1.Cc1cc(C)c8c(C)c1.C6(=O)C7C.N68.S7%10 |
CHEMBL1370816 | C=CCC(CC=C)(C(N)=O)c1ccccc1 | [C][=C][C][C][Branch1][Ring2][C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C=CCC2(CC=C)C(N)=O.c12ccccc1 |
CHEMBL1365664 | Fc1cc(F)cc(-c2c(-c3ccccc3)ncc3ccc(F)cc23)c1 | [F][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring1][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][P][Ring1][#Branch1][=C][Ring2][Ring1][Branch2] | c15c4ncc2ccc(F)cc12.Fc1cc5cc(F)c1.c14ccccc1 |
CHEMBL1365665 | CCN1C(=O)[C@H]2[C@H]3[C@H](O)[C@H](O)C/C(=N/OC[C@@H]4O[C@H](c5ccccc5)C=C[C@@H]4Oc4ccc(OC)cc4)[C@@H]3CC[C@@H]2C1=O | [C][C][N][C][=Branch1][C][=O][C@H1][C@H1][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C][/C][=Branch2][Ring2][Ring1][=N][/O][C][C@@H1][O][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C@@H1][Ring1][N][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C@@H1][Ring2][Ring1][S][C][C][C@@H1... | N1%10C(=O)C2CCC3C(=NO6)CC(O)C(O)C3C2C1=O.C1%11OC%12C=CC17.c18ccc9cc1.c1%12ccccc1.CC%10.C6%11.O78.O9C |
CHEMBL4942027 | CC1CN(C(=O)OC(C)(C)C)CC(C)N1C(=O)C1CCOC1 | [C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Branch1][C][C][N][Ring1][=C][C][=Branch1][C][=O][C][C][C][O][C][Ring1][Branch1] | CC1CN3CC(C)N14.C16CCOC1.C5(C)(C)C.C23=O.C46=O.O25 |
CHEMBL4942028 | CCc1ccc(NC(=O)C2c3ccccc3C(=O)N(CCOC)C2c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)cc1 | [C][C][C][=C][C][=C][Branch2][Branch1][N][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][O][C][C][Ring1][#C][C][=C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Bran... | c19cn(S(=O)(=O)c2ccccc2)c2ccccc12.C4(=O)C1c2ccccc2C(=O)N7C19.c18ccc6cc1.C7C5.CC8.N46.O5C |
CHEMBL4942029 | O=C(Nc1cccc(NC(=O)C(F)(F)C(F)(F)OC(F)(F)F)n1)C(F)(F)C(F)(F)OC(F)(F)F | [O][=C][Branch2][Ring2][#Branch2][N][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][O][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Ring2][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][O][C][Branch1][C][F][Branch... | O=C2C(F)(F)C5(F)F.C3(=O)C(F)(F)C4(F)F.c16cccc7n1.O4C(F)(F)F.O5C(F)(F)F.N26.N37 |
CHEMBL4942030 | Cc1cccc(-c2nnc3c4ccccc4nc(N4CCN(S(=O)(=O)c5cccc(C)c5)[C@@H](C)C4)n23)c1 | [C][C][=C][C][=C][C][Branch2][Branch1][=Branch2][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][P][N][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C@@H1][Branch1][C][C][C][Ring1][P][N][Ring2][Ring1][=C][Ring2][Ring1... | c18nnc2c3ccccc3nc7n12.S6(=O)(=O)c1cccc(C)c1.N17CCN6C(C)C1.Cc1cccc8c1 |
CHEMBL4942031 | CN1CCCc2cc(C(=O)NC3CCCCCC3)sc21 | [C][N][C][C][C][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][S][C][=Ring1][#C][Ring2][Ring1][Ring1] | CN1CCCc2cc6sc21.C15CCCCCC1.C46=O.N45 |
CHEMBL1365666 | O=C(COc1ccc(Cl)cc1)NCC(=O)N1CCC2(CC1)NCCc1[nH]cnc12 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][C][C][C][NH1][C][=N][C][=Ring1][Branch1][Ring1][O] | N14CCC2(CC1)NCCc1[nH]cnc12.c16ccc(Cl)cc1.O=C3C5.C7C4=O.O56.N37 |
CHEMBL1365668 | C=CCc1ccccc1OCCNCCCOC | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][C][C][O][C] | c17ccccc14.C6CC3.C=CC7.C2C5.O24.N56.O3C |
CHEMBL1365669 | O=C(CCN1C(=O)S/C(=C\c2ccccc2)C1=O)N1CCCCC1 | [O][=C][Branch2][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][S][/C][=Branch1][#Branch2][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O][N][C][C][C][C][C][Ring1][=Branch1] | N15C(=O)SC=4C1=O.C=4c1ccccc1.N13CCCCC1.O=C3CC5 |
CHEMBL1365670 | Cc1nc(O)c2cc(-c3ccccc3)sc2n1 | [C][C][=N][C][Branch1][C][O][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][O][=N][Ring1][S] | Cc1nc(O)c2cc4sc2n1.c14ccccc1 |
CHEMBL4942092 | CS(=O)(=O)Cc1ccc(N2CC[C@@]3(CCCNC3=O)C2)nc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][C][N][C][C][C@@][Branch1][=Branch2][C][C][C][N][C][Ring1][=Branch1][=O][C][Ring1][O][N][=C][Ring1][P] | N14CCC2(CCCNC2=O)C1.c15ccc4nc1.CS(=O)(=O)C5 |
CHEMBL4942093 | N#Cc1cnn(C(=O)[C@@H]2CCN(c3cc(F)cc(F)c3)C2=O)c1N | [N][#C][C][C][=N][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C@@H1][C][C][N][Branch1][#C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][=N][=O][C][=Ring2][Ring1][Branch1][N] | N#Cc1cnn(C4=O)c1N.c15cc(F)cc(F)c1.C14CCN5C1=O |
CHEMBL4942094 | O=C1CCc2cc(S(=O)(=O)Oc3ccc(F)cc3Cl)ccc2N1 | [O][=C][C][C][C][=C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][=C][C][=C][Ring2][Ring1][C][N][Ring2][Ring1][=Branch1] | O=C1CCc2cc(S(=O)(=O)O4)ccc2N1.c14ccc(F)cc1Cl |
CHEMBL4942095 | C[C@H]1CCCN(Cc2c(-c3ccccc3)nc3ccc(Cl)cc3c2O)C1 | [C][C@H1][C][C][C][N][Branch2][Ring1][=C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=C][Ring1][P][O][C][Ring2][Ring1][=Branch2] | c15c6nc2ccc(Cl)cc2c1O.CC1CCCN4C1.c16ccccc1.C45 |
CHEMBL4942096 | NC(=O)c1ccccc1CC(=O)N1CCc2cc(-c3ccccc3)oc2C1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][Ring1][#C] | N14CCc2cc7oc2C1.c15ccccc16.c17ccccc1.C6C4=O.NC5=O |
CHEMBL4942097 | O=C1CN(c2ccc(NC(=O)C3=CCCCC3)cn2)CCN1 | [O][=C][C][N][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][C][C][C][Ring1][=Branch1][C][=N][Ring1][#C][C][C][N][Ring2][Ring1][Branch1] | C4(=O)C1=CCCCC1.O=C1CN5CCN1.c15ccc6cn1.N46 |
CHEMBL4942098 | Cc1cnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)nc1C | [C][C][=C][N][=C][Branch2][Ring1][=N][N][C][C][C][C@H1][Branch2][Ring1][C][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][Ring1][#C][N][=C][Ring2][Ring1][Branch1][C] | Cc1cnc4nc1C.N14CCCC6C1.n16ccc5n1.C5(F)(F)F |
CHEMBL4942099 | N#CCCOC1(C#CC#CC2(OCCC#N)CCCCC2)CCCCC1 | [N][#C][C][C][O][C][Branch2][Ring1][Ring2][C][#C][C][#C][C][Branch1][=Branch1][O][C][C][C][#N][C][C][C][C][C][Ring1][O][C][C][C][C][C][Ring2][Ring1][Branch1] | C14(C#CC#CC25CCCCC2)CCCCC1.N#CCC3.C6CC#N.O34.O56 |
CHEMBL1367377 | CC(=O)Nc1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14cc7nn15.c16ccc(Cl)cc1.c17ccccc1.CC3=O.N34.C56 |
CHEMBL1367379 | Cc1ccc(CONC(=O)c2ccc(C)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c14ccc(C)cc1.O3NC4=O.C35 |
CHEMBL1367507 | Cc1c(C)n(Cc2ccc(Cl)cc2)c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)cc12 | [C][C][=C][Branch1][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N][C][=C][Ring2][Ring1][P][Ring2][Ring1][Branch1] | Cc1c(C)n8c2ccc7cc12.c19ccc(Cl)cc1.N15CCN6CC1.c16ccccc1F.C57=O.C89 |
CHEMBL4942160 | CN(C)C(=O)c1ccc(CNC(=O)N(C)Cc2ncon2)o1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][=C][O][N][=Ring1][Branch1][O][Ring1][P] | c18ccc9o1.c1%10ncon1.CN3C.C38=O.C45=O.N57C.C69.N46.C7%10 |
CHEMBL1367508 | COc1ccc(-c2nc(SC)n(S(=O)(=O)c3ccccc3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][N][=C][Branch1][Ring1][S][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c16nc5n(S(=O)(=O)c2ccccc2)n1.c14ccc6cc1.CO4.S5C |
CHEMBL1367509 | CCn1nnc2cc(C(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)ccc21 | [C][C][N][N][=N][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][Cl][=C][C][=C][Ring2][Ring1][Ring2][Ring2][Ring1][#Branch1] | c15cc(S(C)(=O)=O)ccc1Cl.n17nnc2cc6ccc21.C46=O.CC7.N45 |
CHEMBL1367510 | Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1ccsc1=N | [C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][N][C][=Branch1][C][=O][C][N][C][=C][S][C][Ring1][Branch1][=N] | Cc1ccc(S4(=O)=O)cc15.N14CCCCC1.n16ccsc1=N.C3(=O)C6.N35 |
CHEMBL1367512 | CCCCCCC(C)n1[nH]c(=O)c2c(C)cc(C)nc21 | [C][C][C][C][C][C][C][Branch1][C][C][N][NH1][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][Ring1][N] | n13[nH]c(=O)c2c(C)cc(C)nc21.CCCCCCC3C |
CHEMBL4942237 | Cc1ncsc1-c1nc(CC(=O)NC2CCCCC2)no1 | [C][C][N][=C][S][C][=Ring1][Branch1][C][=N][C][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=N][O][Ring1][#C] | Cc1ncsc16.c16nc5no1.C14CCCCC1.C5C3=O.N34 |
CHEMBL4942238 | Cc1noc(C2CN(C(=O)C3CCS(=O)(=O)C3)CC2c2ccccc2)n1 | [C][C][=N][O][C][Branch2][Ring2][Ring2][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C][C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2] | C16CN4CC17.C15CCS(=O)(=O)C1.Cc1noc6n1.c17ccccc1.C45=O |
CHEMBL4942239 | CC1(C)Cc2cc(S(=O)(=O)Nc3cncc(N4CCCC4)n3)ccc2O1 | [C][C][Branch1][C][C][C][C][=C][C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][N][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][O][=C][C][=C][Ring2][Ring1][Branch1][O][Ring2][Ring1][=Branch2] | CC1(C)Cc2cc(S5(=O)=O)ccc2O1.c16cncc7n1.N17CCCC1.N56 |
CHEMBL1369559 | CC(=O)N1CCC2(CC1)CC(=O)c1cc(OCC(=O)N3CCC4(CC3)OCCO4)ccc1O2 | [C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][O] | N15CCC2(CC1)CC(=O)c1cc8ccc1O2.N16CCC2(CC1)OCCO2.C7C6=O.CC5=O.O78 |
CHEMBL1369560 | CCc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(=O)o1 | [C][C][C][=N][C][=C][Branch2][Ring2][Ring2][S][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=Branch1][=Branch1][=C][Ring1][N][Ring1][#C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][=Branch2][C][=Branch1][C][=O][O][Ring2][Ring1][#Branch2] | c16nc2c(sc3nc5c4c(c32)CC(C)(C)OC4)c(=O)o1.N15CCOCC1.CC6 |
CHEMBL1369561 | Clc1ccccc1N=C1SCCS1 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][S][C][C][S][Ring1][Branch1] | Clc1ccccc1N=C1SCCS1 |
CHEMBL1369562 | COc1ccc(C(CC(=O)N2CCN(c3ccccc3)CC2)c2c(OC)cc(OC)c3ccc(=O)oc23)cc1 | [C][O][C][=C][C][=C][Branch2][Branch1][Branch1][C][Branch2][Ring1][Branch2][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][Ring1][O][C][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#C][=Ring1][#Branch1][C][=C][Ring2]... | c1%10c6cc7c2ccc(=O)oc12.c15ccc9cc1.N14CCN8CC1.C9%10CC4=O.c18ccccc1.CO5.O6C.O7C |
CHEMBL1369563 | Nc1nc(NC(=O)CCC(=O)O)nn1-c1ccccc1 | [N][C][=N][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][=N][N][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1nc3nn14.C2(=O)CCC(=O)O.c14ccccc1.N23 |
CHEMBL4942300 | CC(C)C(=O)N[C@@H](N1CCCCCC1)C(Cl)(Cl)Cl | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][C][Branch1][C][Cl][Branch1][C][Cl][Cl] | N14CCCCCC1.C34C(Cl)(Cl)Cl.CC(C)C2=O.N23 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.