ID large_stringlengths 7 13 | smiles stringlengths 1 288 | selfies stringlengths 3 1.14k | safe stringlengths 1 292 |
|---|---|---|---|
CHEMBL4941812 | COC(=O)CNC(=O)N1CCC(N2CC3(CCCCC3)[C@H]2c2ccccc2)CC1 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][N][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C@H1][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1] | N18CC2(CCCCC2)C19.N16CCC8CC1.c19ccccc1.C4(=O)C7.C56=O.CO4.N57 |
CHEMBL4941813 | Cn1ncc(NC(=O)Cn2ccc3cc(-c4cc(F)ccc4F)ccc32)n1 | [C][N][N][=C][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Branch1][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][=C][C][=C][Ring1][=C][Ring1][P][=N][Ring2][Ring1][#Branch2] | n17ccc2cc8ccc21.c18cc(F)ccc1F.Cn1ncc6n1.C5(=O)C7.N56 |
CHEMBL4941814 | COc1ncnc(OC)c1C(=O)N(C)CCc1ccc(Cl)cc1 | [C][O][C][=N][C][=N][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c13ncnc4c16.c17ccc(Cl)cc1.C26=O.N25C.C5C7.CO3.O4C |
CHEMBL4941815 | COc1ccc(-c2c3c(=O)[nH]n(C(C)C)c3nc3[nH]c(=O)n(C)c23)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=Branch1][C][=O][NH1][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2][=N][C][NH1][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring2][Ring1][C][=Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2][O][C] | c17c2c(=O)[nH]n6c2nc2[nH]c(=O)n(C)c12.c14ccc7cc15.C6(C)C.CO4.O5C |
CHEMBL4941816 | O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 | [O][=C][Branch1][O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][P] | S4(=O)(=O)c1cc(Cl)ccc1Cl.C15CCCCCC1.C16CCN4CC1.O=C36.N35 |
CHEMBL4941817 | O=S(=O)(Nc1cc(-c2ccncc2)no1)c1ccc(Br)cc1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring1][N][C][=C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | O=S3(=O)c1ccc(Br)cc1.c14cc5no1.c15ccncc1.N34 |
CHEMBL4941818 | O=C(c1ccccc1F)c1cc(Cl)ccc1NC(=O)C(c1ccccc1)c1ccccc1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15cc(Cl)ccc13.c14ccccc1F.c16ccccc1.c17ccccc1.C2(=O)C67.O=C45.N23 |
CHEMBL4941819 | Cn1c(=O)c2[nH]c(N3CCN(C(=O)c4ccccc4F)CC3)nc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][NH1][C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C][=N][C][=Ring2][Ring1][Ring2][N][Branch1][C][C][C][Ring2][Ring1][#Branch2][=O] | Cn1c(=O)c2[nH]c6nc2n(C)c1=O.N16CCN5CC1.c17ccccc1F.C57=O |
CHEMBL4941820 | CC(=O)N1CCN(C(=O)c2cc(-c3ccc(C(C)(C)C)cc3)n(C)n2)CC1 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Ring2][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][N][Branch1][C][C][N][=Ring1][S][C][C][Ring2][Ring1][Branch2] | N14CCN5CC1.c16cc8n(C)n1.c18ccc7cc1.C7(C)(C)C.CC4=O.C56=O |
CHEMBL4941821 | CCCN(CCC)S(=O)(=O)NCc1ccnc(OCc2ccc3c(c2)OCO3)c1 | [C][C][C][N][Branch1][Ring2][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][Branch2][Ring1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring1][P] | c1%10ccc2c(c1)OCO2.N67S(=O)(=O)N8.c19ccnc5c1.CCC6.C7CC.C89.O45.C4%10 |
CHEMBL1307284 | CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3c(C)cc(C)cc3C)ccc21 | [C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=C][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][#Branch1] | n18c(=O)oc2cc(S6(=O)=O)ccc21.c17c(C)cc(C)cc1C.C4(=O)C8.CC5.O45.N67 |
CHEMBL1307285 | CC(=O)N1CCN(c2nc3ccc(Br)cc3s2)CC1 | [C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][C][Ring1][S] | c15nc2ccc(Br)cc2s1.N14CCN5CC1.CC4=O |
CHEMBL1307286 | CCc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCOC)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][N][Ring1][Branch1][C][N][Ring1][N][C][C][O][C][S][Ring2][Ring1][#Branch2] | c1%12nnc%10n18.c19nnc7s1.c1%11cccn1C.C4(=O)C6.C8C5.CC9.N47.S6%12.C%10%11.O5C |
CHEMBL4941881 | Cc1oc2ccccc2c1CNc1cnccn1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][N][C][=C][N][=C][C][=N][Ring1][=Branch1] | Cc1oc2ccccc2c15.c14cnccn1.C35.N34 |
CHEMBL4941882 | O=C(CC1CCCC1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 | [O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][N][C][C][C][C@H1][Branch2][Ring1][Ring2][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][Ring2][Ring1][Ring1] | N14CCCC8C1.N15CCN6CC1.c16ccccn1.C17CCCC1.O=C4C7.C58 |
CHEMBL4941883 | COc1ccccc1-c1nnc([C@H]2CCN(Cc3ccc(C(=O)O)cc3)C2)o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch2][Ring1][#Branch2][C@H1][C][C][N][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][Ring1][#C][O][Ring2][Ring1][Ring2] | c14ccccc19.c17ccc6cc1.c19nnc8o1.C18CCN5C1.C6(=O)O.CO4.C57 |
CHEMBL4941884 | Cc1ccc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)cn1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=N][Ring2][Ring1][=Branch1] | Cc1ccc8cn1.C7C2=O.C4(C)(C)C.C38=O.N357.C5C6.N6(C)C.O24 |
CHEMBL4941885 | N#Cc1cc2cc(Cl)cnc2nc1N1CCCCC1 | [N][#C][C][=C][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][N][=C][Ring1][O][N][C][C][C][C][C][Ring1][=Branch1] | N#Cc1cc2cc(Cl)cnc2nc13.N13CCCCC1 |
CHEMBL4941886 | O=C(N[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C1CCCC1 | [O][=C][Branch2][Ring1][=C][N][C@H1][C][C][=Branch1][C][=O][N][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Ring1][S][C][C][C][C][C][Ring1][Branch1] | c17ccc2c(c1)OCCO2.C15CC(=O)N7C1.C16CCCC1.O=C46.N45 |
CHEMBL1368446 | Cc1ccc(CN2CCC(N3CC(C)OC(C)C3)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][C][C][Branch1][#C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][C][C][Ring1][=C][C][=C][Ring2][Ring1][Branch1] | N15CC(C)OC(C)C1.Cc1ccc6cc1.N14CCC5CC1.C46 |
CHEMBL1368448 | COc1ccc(C(C)=O)cc1CSc1nnc(Nc2ccc(C)cc2C)s1 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][S][C][=N][N][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][S][Ring1][=C] | c13ccc7cc18.c16ccc(C)cc1C.c19nnc5s1.C7(C)=O.CO3.C48.S49.N56 |
CHEMBL4941954 | C=CCc1ccccc1OCCCON1C(=O)CCC1=O | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][O][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O] | O3N1C(=O)CCC1=O.c15ccccc14.C2CC3.C=CC5.O24 |
CHEMBL4941955 | Cc1ccc(-c2coc(-c3ccc(NC(=O)c4c(F)cccc4F)cc3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][Branch2][C][=C][O][C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][Ring1][P][=N][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] | c17c(F)cccc1F.Cc1ccc8cc1.c19ccc6cc1.c18coc9n1.C57=O.N56 |
CHEMBL1368576 | COc1ccc(/C=C/C(=O)N/C(=C\c2ccco2)C(=O)NCCc2nc3ccccc3[nH]2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][/C][=C][/C][=Branch1][C][=O][N][/C][=Branch1][=Branch2][=C][\C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][S] | c1%10nc2ccccc2[nH]1.c16ccc(C=8)cc1.N4C=9C5=O.C=9c1ccco1.C=8C4=O.C7C%10.CO6.N57 |
CHEMBL1369939 | O=c1c2c(-c3ccc(Cl)cc3)csc2nc2n1CCC2 | [O][=C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][C][=Ring1][N][N][=C][N][Ring1][S][C][C][C][Ring1][Branch1] | O=c1c2c4csc2nc2n1CCC2.c14ccc(Cl)cc1 |
CHEMBL1369940 | CCCC[C@@H]1C[C@H]1C(NC(=O)c1ccccc1)c1ccc(C(=O)OC)cc1 | [C][C][C][C][C@@H1][C][C@H1][Ring1][Ring1][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2] | c19ccc6cc1.c15ccccc1.CCCC7.C17CC18.C489.C35=O.C26=O.N34.O2C |
CHEMBL4942018 | O=C(CN1CCCCC1)Nc1nnc(C2CC2)s1 | [O][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2] | N14CCCCC1.c15nnc6s1.O=C3C4.C16CC1.N35 |
CHEMBL4942019 | Cc1cc(C(=O)N2C[C@@H]3NC(=O)CN(C)C(=O)c4ccc(C)c(c4)Oc4cccc(c4)CO[C@H]3C2)n(C)n1 | [C][C][C][=C][Branch2][Branch1][Branch2][C][=Branch1][C][=O][N][C][C@@H1][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C@H1][Ring2][Ring1][#Branch2][C][Ring2][Ring1][=... | N15CC2NC(=O)CN(C)C(=O)c3ccc(C)c(c3)Oc3cccc(c3)COC2C1.Cc1cc6n(C)n1.C56=O |
CHEMBL4942020 | CC(C)c1ocnc1C(=O)OCc1ccc2[nH]nnc2c1 | [C][C][Branch1][C][C][C][O][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][NH1][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2] | c17ccc2[nH]nnc2c1.c16ocnc15.CC6C.C35=O.O34.C47 |
CHEMBL1369943 | CN(C)Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 | [C][N][Branch1][C][C][C][C][=N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][#Branch2][NH1][Ring1][=N] | c14nc2c(=O)n(C)c(=O)n(C)c2[nH]1.CN3C.C34 |
CHEMBL1369944 | O=C(O)c1ccc(NCc2nc3ccccc3n2CCOc2ccccc2Cl)cc1 | [O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][O] | c1%10nc2ccccc2n19.c18ccc7cc1.c15ccccc1Cl.O=C8O.C9C4.N67.C6%10.O45 |
CHEMBL1369945 | Cc1ccc(Nc2c(-c3ccccn3)nc3cc(C)ccn23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][C][=C][Branch1][C][C][C][=C][N][Ring1][S][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] | c14c6nc2cc(C)ccn12.Cc1ccc5cc1.c16ccccn1.N45 |
CHEMBL4942076 | Cc1nc(-c2cccc(CNc3nnc(C)c(C)n3)c2)cs1 | [C][C][=N][C][Branch2][Ring1][O][C][=C][C][=C][C][Branch1][P][C][N][C][=N][N][=C][Branch1][C][C][C][Branch1][C][C][=N][Ring1][Branch2][=C][Ring1][S][=C][S][Ring2][Ring1][Branch1] | c15nnc(C)c(C)n1.c17cccc6c1.Cc1nc7cs1.C46.N45 |
CHEMBL4942077 | OC[C@H]1CCN(c2nnc(-c3ccccc3)cc2C(F)(F)F)C1 | [O][C][C@H1][C][C][N][Branch2][Ring1][O][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][Branch1] | c14nnc7cc16.C15CCN4C1.c17ccccc1.C6(F)(F)F.OC5 |
CHEMBL1369987 | O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1ccc(CN2CCOCC2)cc1 | [O][=C][Branch2][Ring1][O][C][O][C][=C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][C][C][C][Ring1][#Branch2][N][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N] | c16ccc2c3c(c(=O)oc2c1)CCC3.c18ccc9cc1.N17CCOCC1.O=C4C5.O56.N48.C79 |
CHEMBL1364483 | COC(CNC(=O)c1ccc2c(c1)nc(C)n2-c1cccc(F)c1)OC | [C][O][C][Branch2][Ring2][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][C][N][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][C] | c17ccc2c(c1)nc(C)n28.c18cccc(F)c1.C45C6.C37=O.CO4.N36.O5C |
CHEMBL1364484 | COc1ccc(OCC(O)Cn2c(=N)n(CCN3CCCCC3)c3ccccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][O][C][C][Branch1][C][O][C][N][C][=Branch1][C][=N][N][Branch1][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C][C][=C][Ring2][Ring1][=N] | n18c(=N)n9c2ccccc21.c15ccc6cc1.N17CCCCC1.C4C(O)C8.C9C7.CO5.O46 |
CHEMBL1364485 | CC(C)(C)c1ccc(NNC(=O)C2CCC2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=N][N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][=C][Ring1][=C] | c14ccc(NNC3=O)cc1.CC4(C)C.C13CCC1 |
CHEMBL4942146 | Cc1cc(C(F)F)oc1C(=O)Nc1nnnn1C1CC1 | [C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][O][C][=Ring1][Branch2][C][=Branch1][C][=O][N][C][=N][N][=N][N][Ring1][Branch1][C][C][C][Ring1][Ring1] | Cc1cc5oc14.c13nnnn16.C5(F)F.C24=O.C16CC1.N23 |
CHEMBL4942147 | O=C1CCCc2c1[nH]c1cc(-n3ccnc3[C@H]3CCOC3)ccc21 | [O][=C][C][C][C][C][=C][Ring1][=Branch1][NH1][C][=C][C][Branch1][#C][N][C][=C][N][=C][Ring1][Branch1][C@H1][C][C][O][C][Ring1][Branch1][=C][C][=C][Ring2][Ring1][Ring1][Ring1][S] | O=C1CCCc2c1[nH]c1cc4ccc21.n14ccnc15.C15CCOC1 |
CHEMBL4942148 | Cn1ccc([C@@H]2CCCCN2C(=O)c2cc3c(s2)CCCC3)n1 | [C][N][C][=C][C][Branch2][Ring1][N][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch1] | c15cc2c(s1)CCCC2.C16CCCCN14.Cn1ccc6n1.C45=O |
CHEMBL4942149 | Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCc2nc[nH]c2C12CCC2 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][=C][NH1][C][=Ring1][Branch1][C][Ring1][=Branch2][C][C][C][Ring1][Ring2] | N13CCc2nc[nH]c2C12CCC2.Cc1nn(C)c(C)c14.C4C(C)C3=O |
CHEMBL4942150 | CCC[C@@H](CNc1ncc(C)c(N(C)C)n1)N(C)C | [C][C][C][C@@H1][Branch2][Ring1][Branch1][C][N][C][=N][C][=C][Branch1][C][C][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][#Branch2][N][Branch1][C][C][C] | c14ncc(C)c5n1.CCCC2C3.N5(C)C.N2(C)C.N34 |
CHEMBL1364486 | COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][Ring1][=N][=O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][N] | c18ccc2c(c1)C(=O)N9C2=O.c15ccc7c6c1.C1%10CCCO1.C48=O.CO5.N47.C9%10.O6C |
CHEMBL1364488 | Cc1cccc(OCC(=O)NCc2nnc3ccc(C(F)(F)F)cn23)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][S][O][C][C][=Branch1][C][=O][N][C][C][=N][N][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][N][Ring1][=N][Ring1][#Branch2][=C][Ring2][Ring1][=Branch2][C] | c18nnc2ccc9cn12.Cc1cccc6c1C.C5C4=O.C9(F)(F)F.O56.N47.C78 |
CHEMBL1364489 | CCN(CC)c1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][/C][=C][Branch1][Ring1][\C][#N][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | c17ccc(C=8)cc1.C=8(C#N)C3=O.c19ccco1.N457.CC4.C5C.N36.C69 |
CHEMBL4942213 | CC(C)CC[C@H](C)NC(=O)Cn1ccnc1 | [C][C][Branch1][C][C][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=C][N][=C][Ring1][Branch1] | CC(C)CCC3C.n14ccnc1.C2(=O)C4.N23 |
CHEMBL4942214 | CCCNc1cc(N2CCC(CCC(=O)N3CCN(c4cccc(C)c4)CC3)CC2)ncn1 | [C][C][C][N][C][=C][C][Branch2][Ring2][Branch2][N][C][C][C][Branch2][Ring1][N][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][C][Ring2][Ring1][#Branch1][=N][C][=N][Ring2][Ring1][=N] | c17cc8ncn1.N18CCC%10CC1.N15CCN9CC1.c19cccc(C)c1.C%10CC5=O.CCC6.N67 |
CHEMBL4942215 | Cc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1cccc(CC(=O)O)c1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C@@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Ring1][#Branch2] | Cc1ccccc16.c13cccc5c1.C16CC14.C5C(=O)O.C24=O.N23 |
CHEMBL4942216 | Cc1noc(CCNC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)n1 | [C][C][=N][O][C][Branch2][Ring2][=Branch2][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][Ring1][Ring1][Ring1][#Branch2][=N][Ring2][Ring1][=C] | N17C(=O)c2ccccc2N2C(=O)c3ccccc3C12.Cc1noc8n1.C5(=O)C7.C8C6.N56 |
CHEMBL4942217 | Cc1ccnc(NC(=O)[C@@H]2CCCc3ccccc32)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][Ring2][Ring1][Ring1] | C4(=O)C1CCCc2ccccc21.Cc1ccnc5n1.N45 |
CHEMBL4942218 | O=C(CCc1c[nH]c2ccccc12)Nc1cnn2c1NCCC2 | [O][=C][Branch1][S][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][C][=N][N][C][=Ring1][Branch1][N][C][C][C][Ring1][=Branch1] | c15c[nH]c2ccccc12.c14cnn2c1NCCC2.O=C3CC5.N34 |
CHEMBL4942219 | O=C(c1cc(C2CC2)n[nH]1)N1C[C@@H]2CC[C@H]1CN(Cc1cccnc1)C2 | [O][=C][Branch1][#C][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][Ring1][Branch2][N][C][C@@H1][C][C][C@H1][Ring1][=Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=C] | N13CC2CCC1CN4C2.c15cc7n[nH]1.c16cccnc1.O=C35.C17CC1.C46 |
CHEMBL4942220 | CC1CCCC(Nc2c(-c3ccsc3)nc3ccc(Cl)cn23)C1C | [C][C][C][C][C][C][Branch2][Ring1][O][N][C][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][N][=C][C][=C][C][Branch1][C][Cl][=C][N][Ring1][#C][Ring1][#Branch1][C][Ring2][Ring1][=Branch1][C] | c14c6nc2ccc(Cl)cn12.CC1CCCC5C1C.c16ccsc1.N45 |
CHEMBL4942221 | CCO[C@H]1COCC[C@@H]1NC(=O)c1ccc2c(c1)OCO2 | [C][C][O][C@H1][C][O][C][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c17ccc2c(c1)OCO2.C15COCCC16.C37=O.CC4.O45.N36 |
CHEMBL1366456 | Cc1ccc(C)c(N2CCN(Cc3nnnn3C3CCCCC3)CC2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][N][N][C][C][N][Branch1][P][C][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch2] | Cc1ccc(C)c5c1.N15CCN4CC1.c16nnnn17.C17CCCCC1.C46 |
CHEMBL1366457 | CCOc1cc2[nH]c(=O)n(CCCCCC(=O)NCc3ccco3)c(=O)c2cc1OCC | [C][C][O][C][=C][C][NH1][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][O][C][C] | c17cc2[nH]c(=O)n%10c(=O)c2cc18.C%10CCCCC4=O.c1%11ccco1.CC5.O57.N49.C9%11.O68.C6C |
CHEMBL1366578 | CCCc1cc(C(=O)Nc2ccc(CC)cc2)no1 | [C][C][C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][C][C][=C][Ring1][Branch2][=N][O][Ring1][S] | c14ccc7cc1.c16cc5no1.CCC6.C35=O.N34.C7C |
CHEMBL4942281 | O=C(C1CCCC1)N1CC[C@@]2(CCCN(CC3CC3)C2=O)C1 | [O][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][C][C][C@@][Branch1][P][C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][=O][C][Ring1][#C] | N14CCC2(CCCN6C2=O)C1.C15CCCC1.O=C45.C17CC1.C67 |
CHEMBL4942283 | CNCCNC(=O)c1c(C)c(C)cc(C)c1C | [C][N][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][=Branch2][C] | c15c(C)c(C)cc(C)c1C.C3C4.C25=O.CN3.N24 |
CHEMBL1366579 | O=C(NC(=S)Nc1ccc(Cl)c(C(=O)O)c1)c1cncc(Br)c1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c13ccc(Cl)c5c1.c14cncc(Br)c1.N2C(=S)N3.O=C24.C5(=O)O |
CHEMBL1366580 | C=CCn1c(SCC(=O)NC(=O)NCCC)nnc1C1CCCCC1 | [C][=C][C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][C][C][=N][N][=C][Ring1][S][C][C][C][C][C][C][Ring1][=Branch1] | n17c8nnc19.C19CCCCC1.C6C2=O.C=CC7.C34=O.C5CC.S68.N23.N45 |
CHEMBL1366581 | CCN1CCN(c2cc(C)c3cc(NC(=S)N4CCN(c5ccc(F)cc5)CC4)ccc3n2)CC1 | [C][C][N][C][C][N][Branch2][Ring2][P][C][=C][C][Branch1][C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=S][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][C][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][O][C][C][Ring2][Ring1][P] | c17cc(C)c2cc8ccc2n1.N8C(=S)N1CCN9CC1.N16CCN7CC1.c19ccc(F)cc1.CC6 |
CHEMBL1366582 | CCOc1ccc(Cc2nnc(SCC(N)=O)n2C)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][=C][Ring2][Ring1][C] | c14ccc7cc1.c16nnc8n1C.C5C(N)=O.CC3.O34.C67.S58 |
CHEMBL4942334 | CCC(C)(C)NC(=O)c1ccc(OC)cc1OC | [C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C] | c16ccc3cc14.CCC5(C)C.C26=O.N25.O3C.O4C |
CHEMBL4942335 | Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)N1CC(C)CC(C)C1 | [C][C][NH1][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][Branch2] | N13CC(C)CC(C)C1.Cc1[nH]c5cc14.c15ccc(F)cc1.C34=O |
CHEMBL4942336 | Cc1cc(CNC(=O)c2cc[nH]c2C)ccc1S(C)(=O)=O | [C][C][=C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][=C][NH1][C][=Ring1][Branch1][C][=C][C][=C][Ring1][S][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1cc6ccc1S(C)(=O)=O.c15cc[nH]c1C.C35=O.C46.N34 |
CHEMBL1368313 | CCN(CC)CCOC(=O)C(c1ccccc1)C1CCCCC1 | [C][C][N][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c18ccccc1.C17CCCCC1.C2(=O)C78.N456.C6C3.CC4.C5C.O23 |
CHEMBL1368314 | COc1ccc(CNC(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=N] | n19c(=O)oc2cc(S8(=O)=O)ccc21.c16ccc%10cc1.N18CCCC1.C5(=O)C9.CO6.C7%10.N57 |
CHEMBL1368315 | Cc1nnc(NC(=O)c2ccco2)s1 | [C][C][=N][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][Ring1][=N] | Cc1nnc4s1.c15ccco1.C35=O.N34 |
CHEMBL4942405 | Cc1cnc(NC(=O)CCC(C)C)s1 | [C][C][=C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][C][S][Ring1][=N] | C2(=O)CCC(C)C.Cc1cnc3s1.N23 |
CHEMBL4942406 | CCc1nccn1Cc1cnc2ccccn12 | [C][C][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1] | c15cnc2ccccn12.c14nccn13.CC4.C35 |
CHEMBL4942407 | Cc1ccn2cc(CN(C)Cc3snnc3C)nc2c1 | [C][C][C][=C][N][C][=C][Branch1][#C][C][N][Branch1][C][C][C][C][S][N][=N][C][=Ring1][Branch1][C][N][=C][Ring1][#C][C][=Ring2][Ring1][Ring1] | Cc1ccn2cc6nc2c1.c17snnc1C.N45C.C46.C57 |
CHEMBL4942408 | CCc1cc(CNC(=O)Cn2ncc(N3CCOCC3)cc2=O)on1 | [C][C][C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][N][N][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Ring1][N][=O][O][N][=Ring2][Ring1][#Branch1] | n17ncc6cc1=O.c18cc9on1.N16CCOCC1.C4(=O)C7.CC8.C59.N45 |
CHEMBL4942409 | Cc1ccc(S(=O)(=O)N2CCCC(C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3)C2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][P] | Cc1ccc(S6(=O)=O)cc1.N16CCCC9C1.C17CCCCC18.c1%10ccccc1.C49=O.C5%10=O.N47.N58 |
CHEMBL4942410 | Cc1cccc(Cn2c(C(=O)NC[C@@]3(C)CCCO3)cc3cc(NC(=O)c4ccccc4F)ccc32)c1 | [C][C][=C][C][=C][C][Branch2][Branch1][C][C][N][C][Branch1][P][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][Ring1][S][Ring2][Ring1][=N][=C][Ring2][Ring2][Ring2] | n1%11c9cc2cc8ccc21.Cc1cccc%13c1.c1%10ccccc1F.C1%12(C)CCCO1.C59=O.C6%10=O.C%11%13.N57.C7%12.N68 |
CHEMBL1368451 | COc1ccc(S(=O)(=O)NC(C)C)cc1-n1cnnn1 | [C][O][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring1][=N][N][C][=N][N][=N][Ring1][Branch1] | c12ccc(S4(=O)=O)cc15.n15cnnn1.C3(C)C.CO2.N34 |
CHEMBL1368452 | COc1ccc(C2C3=C(O)CCCC3=Nc3nc4ccccc4n32)c(OC)c1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][C][=C][Branch1][C][O][C][C][C][C][Ring1][#Branch1][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][Ring2][Ring1][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch2][O][C] | c15ccc(C2C3=C(O)CCCC3=Nc3nc4ccccc4n32)c6c17.CO5.O6C.O7C |
CHEMBL1368453 | Cn1c(=O)c2c(nc(SCc3cccnc3)n2Cc2ccccc2)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][O][N][=C][Branch1][O][S][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring2][Ring1][#Branch2][=O] | Cn1c(=O)c2c(nc8n25)n(C)c1=O.c16cccnc1.c17ccccc1.S48.C46.C57 |
CHEMBL4942462 | CC(C)(C)c1ccc(OCCNS(C)(=O)=O)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=N][O][C][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][=C] | c16ccc3cc1.CC6(C)C.S5(C)(=O)=O.C2C4.O23.N45 |
CHEMBL4942463 | O=C(N[C@@H]1CN(Cc2ccccc2C(F)(F)F)C[C@H]1CO)C1CCC1 | [O][=C][Branch2][Ring1][#C][N][C@@H1][C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C@H1][Ring1][S][C][O][C][C][C][C][Ring1][Ring2] | C15CN4CC17.c18ccccc19.C9(F)(F)F.C16CCC1.O=C36.N35.C48.C7O |
CHEMBL4942464 | COc1ccc(N2CCN(c3ncccc3-c3nc(-c4ccccc4)no3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] | c15ccc7cc1.N17CCN6CC1.c16ncccc18.c18nc9no1.c19ccccc1.CO5 |
CHEMBL4942465 | Cc1oncc1CN1C[C@@H](F)C[C@H]1CNC(=O)C1CCCN1C1CCCC1 | [C][C][O][N][=C][C][=Ring1][Branch1][C][N][C][C@@H1][Branch1][C][F][C][C@H1][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1] | N13CC(F)CC17.Cc1oncc18.C16CCCN15.C15CCCC1.C26=O.C38.C47.N24 |
CHEMBL4942466 | CC(C)(C(=O)NC[C@@]12CCC[C@@H]1OCC2)c1ccc2c(c1)OCO2 | [C][C][Branch1][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C@@][C][C][C][C@@H1][Ring1][Branch1][O][C][C][Ring1][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.C125CCCC1OCC2.CC6(C)C3=O.N34.C45 |
CHEMBL4942467 | CC(=O)N[C@@H]1c2ccccc2C2(CCN(C(=O)Cc3ccccc3F)CC2)[C@H]1OCc1ccncc1 | [C][C][=Branch1][C][=O][N][C@@H1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Branch2][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][S][C@H1][Ring2][Ring1][Branch2][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | N4C1c2ccccc2C2(CCN5CC2)C17.c18ccccc1F.c19ccncc1.C5(=O)C8.CC4=O.O67.C69 |
CHEMBL4942468 | OC[C@H]1CCN(c2ccnc3cc(Cl)ccc23)C[C@@H]1O | [O][C][C@H1][C][C][N][Branch2][Ring1][C][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][C@@H1][Ring1][P][O] | c14ccnc2cc(Cl)ccc12.C15CCN4CC1O.OC5 |
CHEMBL1368454 | COc1ccc(C2=[N+]([O-])C(C)(C)C(c3ccccc3)=N2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=N+1][Branch1][C][O-1][C][Branch1][C][C][Branch1][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c14ccc(C2=[N+]([O-])C(C)(C)C(c3ccccc3)=N2)cc1.CO4 |
CHEMBL1369952 | COc1cc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][O][O][C] | c16cc%11cc7c18.c1%10ccccc1%12.c14cccnc1.C3%11=O.C5%12=O.CO6.N3%10.N59.C94.O7C.O8C |
CHEMBL1369953 | Nc1[nH]nc2nc3ccccc3cc12 | [N][C][NH1][N][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=Ring1][=N][Ring1][#Branch2] | Nc1[nH]nc2nc3ccccc3cc12 |
CHEMBL1369995 | Cc1c(-c2ccc(Br)cc2)c(=O)oc2ccc(OC(=O)N3CCOCC3)cc12 | [C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][O][Ring1][#C] | Cc1c7c(=O)oc2ccc6cc12.c17ccc(Br)cc1.N15CCOCC1.C45=O.O46 |
CHEMBL1369996 | COc1cc2ccccc2cc1C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1C | [C][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][C][=C][Ring1][#C][C] | c15cc2ccccc2cc17.c18nc2ccccc2o1.c16cc8ccc1C.C47=O.CO5.N46 |
CHEMBL1369997 | COc1ccc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | C15N=C(c2ccccc2)NC(c2ccccc2)=N1.c14ccc5cc1.CO4 |
CHEMBL1369998 | NC(=O)c1cn(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc12 | [N][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1] | c14cn(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc12.NC4=O |
CHEMBL4942543 | CC(=O)[C@H]1CCN(c2nccc(C(F)(F)F)n2)C1 | [C][C][=Branch1][C][=O][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#Branch2][C][Ring1][#C] | c13nccc5n1.C14CCN3C1.C5(F)(F)F.CC4=O |
CHEMBL4942544 | O=C(Nc1cnccc1O)c1ccccc1C(=O)c1ccc(Br)cc1 | [O][=C][Branch1][O][N][C][=C][N][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c13cnccc1O.c14ccccc15.c16ccc(Br)cc1.O=C24.C56=O.N23 |
CHEMBL4942545 | Cc1nnc(-c2ccccc2-c2ccnc3c2ccn3C)o1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][N][Ring1][Branch1][C][O][Ring2][Ring1][Branch1] | c15ccnc2c1ccn2C.c14ccccc15.Cc1nnc4o1 |
CHEMBL4942546 | Cc1noc(C)c1C(=O)NCC1(OCCO)CCCC1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Branch1][O][C][C][O][C][C][C][C][Ring1][=Branch2] | Cc1noc(C)c16.C137CCCC1.C26=O.C4CO.N25.C57.O34 |
CHEMBL4942547 | CCCOCC(=O)N1CCN(c2nncc3ccccc23)CC1 | [C][C][C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][S] | c17nncc2ccccc12.N14CCN7CC1.C6C4=O.CCC5.O56 |
CHEMBL1369999 | Cc1ccc2cc(C)c(SCC(=O)NCc3ccco3)nc2c1 | [C][C][=C][C][=C][C][=C][Branch1][C][C][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc2cc(C)c8nc2c1.c17ccco1.C6C4=O.S68.N45.C57 |
CHEMBL1370000 | Cc1cc(C)nc(-n2nc(C)c3c(C(F)F)cc(C)nc32)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][O][N][N][=C][Branch1][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][C][=C][Branch1][C][C][N][=C][Ring1][#Branch2][Ring1][=C][=N][Ring2][Ring1][Branch1] | n15nc(C)c2c4cc(C)nc21.Cc1cc(C)nc5n1.C4(F)F |
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