ID large_stringlengths 7 13 | smiles stringlengths 1 288 | selfies stringlengths 3 1.14k | safe stringlengths 1 292 |
|---|---|---|---|
CHEMBL1366076 | CCn1cc(C(=O)N(C)Cc2ccccc2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 | [C][C][N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2]... | n19cc8c(=O)c2cc(S7(=O)=O)ccc21.N17CCc2ccccc2C1.c1%10ccccc1.C58=O.N56C.CC9.C6%10 |
CHEMBL4944995 | COC[C@H](NC(=O)Nc1cnns1)c1ccco1 | [C][O][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][N][C][=C][N][=N][S][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1] | c16cnns1.c17ccco1.C4C57.C23=O.CO4.N25.N36 |
CHEMBL4944996 | CC(C)c1csc(CN(Cc2cccnc2)Cc2ccsc2)n1 | [C][C][Branch1][C][C][C][=C][S][C][Branch2][Ring1][=Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][=C][S][C][=Ring1][Branch1][=N][Ring2][Ring1][Ring2] | c16csc7n1.c18cccnc1.c19ccsc1.CC6C.N345.C37.C48.C59 |
CHEMBL4944997 | Cc1cc(C)c(CN[C@@H](CCO)C(F)F)cc1C | [C][C][=C][C][Branch1][C][C][=C][Branch1][=C][C][N][C@@H1][Branch1][Ring2][C][C][O][C][Branch1][C][F][F][C][=C][Ring1][S][C] | Cc1cc(C)c4cc1C.C3(CCO)C(F)F.C24.N23 |
CHEMBL1366079 | CC(C)CCOc1ccc(C(=O)NNC(=O)CNC(=O)c2ccccc2F)cc1 | [C][C][Branch1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][#Branch1] | C7(=O)NNC(=O)C6.c15ccc7cc1.c18ccccc1F.CC(C)CC4.C38=O.O45.N36 |
CHEMBL1367793 | CCc1ccc(OCC(=O)NCc2ccco2)c(Br)c1 | [C][C][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][Br][=C][Ring2][Ring1][C] | c18ccc5c(Br)c1.c17ccco1.C4C3=O.CC8.O45.N36.C67 |
CHEMBL1367929 | O=S(=O)(Nc1nc2ccccc2nc1NCCO)c1cccc(Cl)c1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring2][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c15nc2ccccc2nc16.O=S4(=O)c1cccc(Cl)c1.C3CO.N45.N36 |
CHEMBL4945007 | CCOC(=O)CC1(S(=O)(=O)Nc2cccc3ccccc23)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][P] | c17cccc2ccccc12.C18(S6(=O)=O)CC1.C4(=O)C8.CC5.O45.N67 |
CHEMBL4945008 | Cc1cc(=O)c2c(C3CCCC3)nn(-c3ccccc3)c2[nH]1 | [C][C][=C][C][=Branch1][C][=O][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][S][NH1][Ring2][Ring1][Branch1] | Cc1cc(=O)c2c5nn4c2[nH]1.c14ccccc1.C15CCCC1 |
CHEMBL4945009 | CCc1nc(C#N)cc(Oc2cccc3c2OCCC3)n1 | [C][C][C][=N][C][Branch1][Ring1][C][#N][=C][C][Branch1][S][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | c15cccc2c1OCCC2.c16nc4cc(C#N)n1.CC6.O45 |
CHEMBL4945010 | C=C1[C@H]2C[C@@]3([C@@H]1O)[C@@H](CC2=O)[C@@]12C4[C@@H]3C[C@@H]1[C@@](C)(CC[C@@H]2O)C[N+]4([O-])CC | [C][=C][C@H1][C][C@@][Branch1][Branch1][C@@H1][Ring1][Branch1][O][C@@H1][Branch1][=Branch1][C][C][Ring1][Branch2][=O][C@@][C][C@@H1][Ring1][#Branch2][C][C@@H1][Ring1][Branch1][C@@][Branch1][C][C][Branch1][#Branch1][C][C][C@@H1][Ring1][#Branch2][O][C][N+1][Ring1][N][Branch1][C][O-1][C][C] | C=C1C2CC3(C1O)C1CC4C5(C)CCC(O)C4(C3CC2=O)C1[N+]([O-])(CC)C5 |
CHEMBL1367930 | CCN1CCN(C(S)=NCC2CCCO2)CC1 | [C][C][N][C][C][N][Branch1][=C][C][Branch1][C][S][=N][C][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][#C] | N13CCN(C(S)=NC4)CC1.C14CCCO1.CC3 |
CHEMBL1367931 | O=C(O)CSc1c(O)nc2ccc(Cl)cc2c1-c1ccccc1 | [O][=C][Branch1][C][O][C][S][C][=C][Branch1][C][O][N][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14c(O)nc2ccc(Cl)cc2c15.c15ccccc1.O=C(O)C3.S34 |
CHEMBL1367932 | CCc1cc2c(=O)c(-c3cscn3)coc2cc1O | [C][C][C][=C][C][C][=Branch1][C][=O][C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][=C][O][C][=Ring1][N][C][=C][Ring1][S][O] | c14cc2c(=O)c5coc2cc1O.c15cscn1.CC4 |
CHEMBL1367933 | CC1(C)CC(Nc2ccc(Nc3ccccc3)cc2)CC(C)(C)N1 | [C][C][Branch1][C][C][C][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][C][C][Branch1][C][C][Branch1][C][C][N][Ring2][Ring1][#Branch1] | CC1(C)CC7CC(C)(C)N1.c14ccc5cc1.c16ccccc1.N47.N56 |
CHEMBL1367934 | Clc1cccc(CN2CCCCCC2)c1Cl | [Cl][C][=C][C][=C][C][Branch1][O][C][N][C][C][C][C][C][C][Ring1][#Branch1][=C][Ring1][=C][Cl] | Clc1cccc4c1Cl.N13CCCCCC1.C34 |
CHEMBL1367935 | S=C(Nc1ccc2c(c1)Cc1ccccc1-2)Nc1ccc2c(c1)Cc1ccccc1-2 | [S][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | c13ccc2c(c1)Cc1ccccc1-2.c14ccc2c(c1)Cc1ccccc1-2.S=C(N3)N4 |
CHEMBL1369891 | CC(=O)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1O | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C][O] | c15ccc4cc1O.c16cccc7c1.C7(F)(F)F.CC5=O.O34.C36 |
CHEMBL1369892 | CC(NC(=O)CCC(=O)NC(C)C1COc2ccccc2O1)C1COc2ccccc2O1 | [C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C18COc2ccccc2O1.C17COc2ccccc2O1.C3(=O)CCC4=O.CC57.C68C.N35.N46 |
CHEMBL4945054 | CN(C)S(=O)(=O)NCCOc1ccc(F)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | CN(C)S(=O)(=O)N4.c13ccc(F)cc1.C4C2.O23 |
CHEMBL4945055 | CN(Cc1cc(-c2ccccc2)[nH]n1)C(=O)Cn1nnnc1CN1CCCC1 | [C][N][Branch2][Ring1][Ring1][C][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring1][O][C][=Branch1][C][=O][C][N][N][=N][N][=C][Ring1][Branch1][C][N][C][C][C][C][Ring1][Branch1] | c17cc9[nH]n1.c19ccccc1.n16nnnc18.N15CCCC1.C3(=O)C6.CN34.C47.C58 |
CHEMBL4945056 | O=C(Nc1nc(CC2CC2)ns1)c1occ2c1CCC2 | [O][=C][Branch1][P][N][C][=N][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][=N][S][Ring1][=Branch2][C][O][C][=C][C][=Ring1][Branch1][C][C][C][Ring1][Branch1] | c15occ2c1CCC2.c14nc6ns1.O=C35.C17CC1.N34.C67 |
CHEMBL1369919 | Cc1cccnc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][=C] | c16cccc(S4(=O)=O)c1.Cc1cccnc15.N14CCCC1.C36=O.N35 |
CHEMBL1369921 | Cn1c(=O)c2c(-c3ccccc3)n(C3CCCCC3)cc2n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][P][N][Branch1][C][C][C][Ring2][Ring1][#Branch1][=O] | Cn1c(=O)c2c5n4cc2n(C)c1=O.c15ccccc1.C14CCCCC1 |
CHEMBL4945076 | CC(C)c1cc(C(=O)N2CCCCCCC2)n(C)n1 | [C][C][Branch1][C][C][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][Branch2][N][Branch1][C][C][N][=Ring1][S] | N13CCCCCCC1.c15cc4n(C)n1.CC5C.C34=O |
CHEMBL4945077 | CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)C=CCCC2)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C@@][Branch1][C][O][C][=C][C][C][C][Ring1][#Branch1][C][=C][Ring1][P] | S5(=O)(=O)c1ccc6cc1.C17(O)C=CCCC1.CN5C.C36=O.N34.C47 |
CHEMBL4945078 | CC(C)C(=O)N1CCC(Nc2cc(N3CCC[C@@H]3CO)ncn2)CC1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][#Branch2][N][C][C][C][C@@H1][Ring1][Branch1][C][O][=N][C][=N][Ring1][=N][C][C][Ring2][Ring1][Ring2] | N14CCC7CC1.c15cc6ncn1.N16CCCC18.CC(C)C4=O.N57.C8O |
CHEMBL4945080 | NC1(c2nc(-c3nccs3)cs2)CCCC1 | [N][C][Branch1][P][C][=N][C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][=C][S][Ring1][#Branch2][C][C][C][C][Ring1][#C] | NC15CCCC1.c15nc4cs1.c14nccs1 |
CHEMBL1369922 | Oc1ccccc1-c1nnc(S)n1Cc1ccccc1 | [O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][C][S][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Oc1ccccc14.c14nnc(S)n12.c13ccccc1.C23 |
CHEMBL1369923 | Oc1cc2c(cc1C(c1ccc(Cl)cc1)N1CCOCC1)OCO2 | [O][C][=C][C][=C][Branch2][Ring1][O][C][=C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1][O][C][O][Ring2][Ring1][Branch1] | Oc1cc2c(cc14)OCO2.c15ccc(Cl)cc1.N13CCOCC1.C345 |
CHEMBL1372058 | COc1cc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)c3ccccc3n2)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Branch1][C][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][S][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][=N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Bran... | c16cc%13c2ccccc2n1.c1%12ccc(S%11(=O)=O)cc1.c17cc6cc8c19.c1%14ccco1.C5%13=O.CO7.N5%12.N%10%11.C%10%14.O8C.O9C |
CHEMBL1372059 | OCCN1CCN(CC(O)COc2ccc3ccccc3c2)CC1 | [O][C][C][N][C][C][N][Branch2][Ring1][=Branch1][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Branch1] | c15ccc2ccccc2c1.N16CCN7CC1.C7C(O)C4.OCC6.O45 |
CHEMBL1372060 | NC(=O)c1ccc[n+](CC(=O)c2ccc(Br)cc2)c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][N+1][Branch1][P][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Ring1][S] | c13ccc[n+](CC4=O)c1.c14ccc(Br)cc1.NC3=O |
CHEMBL4945094 | Cc1nccc(N2CC[C@@H](C)O[C@@H](C)C2)n1 | [C][C][=N][C][=C][C][Branch1][S][N][C][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][Ring1][=Branch2][=N][Ring1][#C] | N13CCC(C)OC(C)C1.Cc1nccc3n1 |
CHEMBL4945095 | Cc1ccn2c(NC(=O)CCc3ccccc3)c(CCc3ccccc3)nc2c1 | [C][C][C][=C][N][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Branch2][C][=Ring2][Ring1][N] | Cc1ccn2c5c6nc2c1.c17ccccc1.c18ccccc1.C4(=O)CC7.C6C8.N45 |
CHEMBL4945096 | O=C(CC1(C(=O)O)CCCC1)Nc1cccc(CN2CCCCC2=O)c1 | [O][=C][Branch1][S][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][=C][Ring1][=C] | c14cccc8c1.N16CCCCC1=O.C157CCCC1.O=C3C7.C5(=O)O.N34.C68 |
CHEMBL4945097 | Cc1ccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NC3CCCC3)c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring2][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][Ring1][S][=O][C][=C][Ring2][Ring1][O] | Cc1ccc(S5(=O)=O)cc1.c16ccc(C)n8c1=O.C17CCCC1.C8C4=O.N56.N47 |
CHEMBL4945098 | CN1CCCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c2nc3ccccc3nc21 | [C][N][C][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][C][=N][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][O][Ring1][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring2][Ring1][S] | CN1CCCN4c2nc3ccccc3nc21.c16ccc(Cl)cc1Cl.c15ncc6o1.C4(=O)CC5 |
CHEMBL4945099 | CCN(CCc1nc2c(C)cccc2[nH]1)C(=O)Cc1cc(C)no1 | [C][C][N][Branch2][Ring1][Ring1][C][C][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1] | c16nc2c(C)cccc2[nH]1.c17cc(C)no1.C3(=O)C7.N345.C5C6.CC4 |
CHEMBL1372061 | CC(NC(=O)C1CCCN1S(=O)(=O)c1cccc2cccnc12)c1ccccc1 | [C][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | S5(=O)(=O)c1cccc2cccnc12.C16CCCN15.c17ccccc1.CC47.C36=O.N34 |
CHEMBL1372064 | COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nccs2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] | c15cccc9c1.c19nn8cc17.c18ccccc1.c16nccs1.C47=O.CO5.N46 |
CHEMBL4941717 | Cc1nc2c(C(=O)NCCC3=CCCCCC3)ccnc2[nH]1 | [C][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][=C][C][C][C][C][C][Ring1][#Branch1][C][=C][N][=C][Ring2][Ring1][C][NH1][Ring2][Ring1][Branch1] | Cc1nc2c6ccnc2[nH]1.C5CC1=CCCCCC1.C46=O.N45 |
CHEMBL4941718 | CCN(C(=O)Cn1c(=O)n(-c2cc(C)cc(C)c2)c(=O)c2ccccc21)c1cccc(C)c1 | [C][C][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | n16c(=O)n7c(=O)c2ccccc21.c17cc(C)cc(C)c1.c15cccc(C)c1.C3(=O)C6.N345.CC4 |
CHEMBL4941719 | Cc1nccc(NC(=O)c2ccn(C(C)C)n2)n1 | [C][C][=N][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][=Branch1][C][Branch1][C][C][C][N][=Ring1][Branch2][=N][Ring1][P] | Cc1nccc4n1.c15ccn6n1.C35=O.C6(C)C.N34 |
CHEMBL4941721 | C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)Cc1cccc2ccccc12 | [C][C@@H1][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2ccccc12.CC(C3=O)S(=O)(=O)C5.C14CCCC1.N34 |
CHEMBL4941722 | COc1ccc(C(=O)O[C@H](COc2ccc(Cl)cc2)CN2CCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][O][C@H1][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2] | c16ccc9cc1.c17ccc(Cl)cc1.C4(C5)C8.N18CCCC1.C39=O.CO6.O34.O57 |
CHEMBL1365959 | Cc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2nccs2)c2ccccc21 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | n15cc(S(=O)(=O)CC3=O)c2ccccc21.Cc1ccccc16.c14nccs1.C56.N34 |
CHEMBL1365960 | COc1ccccc1CNC(=O)CC(c1ccc(F)cc1)N1Cc2ccccc2C1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O] | N16Cc2ccccc2C1=O.c14ccccc17.c18ccc(F)cc1.C3(=O)CC68.CO4.C57.N35 |
CHEMBL4941793 | COC(=O)C1(C)CCN(CC(O)C(F)(F)F)C1 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][N][Branch1][=C][C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=N] | C14(C)CCN3C1.C3C(O)C(F)(F)F.C24=O.CO2 |
CHEMBL4941794 | O=C(CCc1ccsc1)NS(=O)(=O)C1CCCC1 | [O][=C][Branch1][#Branch2][C][C][C][C][=C][S][C][=Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1] | S3(=O)(=O)C1CCCC1.O=C2CC4.c14ccsc1.N23 |
CHEMBL4941795 | CCOC(=O)[C@H]1CCCN(C(=O)CN2CCN(c3cccc(Cl)c3)C2=O)C1 | [C][C][O][C][=Branch1][C][=O][C@H1][C][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring1][N][=O][C][Ring2][Ring1][=Branch1] | C17CCCN5C1.N18CCN9C1=O.c19cccc(Cl)c1.C5(=O)C8.C47=O.CC6.O46 |
CHEMBL4941796 | CS(=O)(=O)CCC(=O)Nc1ccc(F)c(Br)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Br][=C][Ring1][Branch2] | CS(=O)(=O)CCC2=O.c13ccc(F)c(Br)c1.N23 |
CHEMBL1365961 | Cc1ccc(O)c(NC(=O)c2cc3nc4c(c(C(F)(F)F)n3n2)CCc2ccccc2-4)c1 | [C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][C][=C][N][=C][C][=Branch2][Ring1][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Ring1][#Branch2][N][=Ring1][=N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P][=C][Ring2][Ring1][#C] | c17cc2nc3c(c8n2n1)CCc1ccccc1-3.Cc1ccc(O)c6c1.C8(F)(F)F.C57=O.N56 |
CHEMBL1366081 | COc1ccc(OC)c(-c2c(=O)n(OCc3ccccc3Br)c3ccccc3[n+]2[O-])c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][Branch1][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Ring2][Ring1][Ring2][O-1][=C][Ring2][Ring1][=N] | c18c(=O)n(O4)c2ccccc2[n+]1[O-].c15ccc6c8c1.c17ccccc1Br.CO5.O6C.C47 |
CHEMBL4941869 | CCCC(=O)N(CCOC)CC1(C)CCOCC1 | [C][C][C][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][O][C][C][C][Branch1][C][C][C][C][O][C][C][Ring1][#Branch1] | C16(C)CCOCC1.CCCC2=O.N245.C4C3.O3C.C56 |
CHEMBL4941870 | Cn1nncc1-c1csc(N2CCOCC2)n1 | [C][N][N][=N][C][=C][Ring1][Branch1][C][=C][S][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][O] | Cn1nncc14.c14csc3n1.N13CCOCC1 |
CHEMBL4941871 | O=c1c2ccccc2nc(-c2cccc(OCc3ccccc3)c2)n1Cc1ccc(F)cc1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][N][Ring2][Ring1][Branch2][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=c1c2ccccc2nc9n16.c19cccc5c1.c18ccc(F)cc1.c17ccccc1.O45.C47.C68 |
CHEMBL4941872 | CC(C)(NC(=O)c1ccccc1)c1nc(-c2ccncc2)no1 | [C][C][Branch1][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O] | c15ccccc1.c16nc7no1.c17ccncc1.CC46C.C35=O.N34 |
CHEMBL4941873 | Cc1c(NC(=O)[C@@H]2CCc3cc(F)ccc32)cnn1C | [C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][=N][N][Ring2][Ring1][C][C] | C4(=O)C1CCc2cc(F)ccc21.Cc1c5cnn1C.N45 |
CHEMBL4941874 | Cc1cc(CC(C)NC2CC3CCC(C2)N3C(=O)OC(C)(C)C)n[nH]1 | [C][C][=C][C][Branch2][Ring2][C][C][C][Branch1][C][C][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=N][NH1][Ring2][Ring1][Branch2] | C18CC2CCC(C1)N25.Cc1cc9n[nH]1.C9C7C.C6(C)(C)C.C45=O.N78.O46 |
CHEMBL1366082 | Cc1ccc(NC(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)cc1Cl | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch1][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=N][Cl] | c16ncnc2c1nc1n2CCCCC1.Cc1ccc7cc1Cl.C18CCN6CC1.C58=O.N57 |
CHEMBL1367941 | COc1cccc(OCC(=O)NNC(=O)C(=O)Nc2cccc(C)c2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][O][C][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Branch2] | C4C(=O)NNC(=O)C3=O.c15cccc6c1.c17cccc(C)c1.CO5.O46.N37 |
CHEMBL1367943 | CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCc1ccc(Cl)cc1Cl | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c18ccc(Cl)cc1Cl.N13CCCC17.CC5(C)C.C23=O.C47=O.O25.N46.C68 |
CHEMBL4941940 | Cn1nnc(CN2CCC[C@H]2CN2CCOCC2)n1 | [C][N][N][=N][C][Branch2][Ring1][C][C][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][C] | Cn1nnc6n1.N13CCCC15.N14CCOCC1.C36.C45 |
CHEMBL4941941 | O=C(N[C@H]1CCc2nccn2C1)C1(c2cccs2)CCCCC1 | [O][=C][Branch1][#C][N][C@H1][C][C][C][=N][C][=C][N][Ring1][Branch1][C][Ring1][=Branch2][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][C][C][C][Ring1][O] | C14CCc2nccn2C1.C156CCCCC1.c16cccs1.O=C35.N34 |
CHEMBL4941943 | CC(C)C1OCCCC1CNC(=O)C1CC(c2cccnc2)=NO1 | [C][C][Branch1][C][C][C][O][C][C][C][C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O] | C15CC(c2cccnc2)=NO1.C16OCCCC17.CC6C.C35=O.C47.N34 |
CHEMBL4941944 | Cn1c(=O)n(C)c2c1ccn1cnnc21 | [C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][N][C][=N][N][=C][Ring1][=Branch2][Ring1][Branch1] | Cn1c(=O)n(C)c2c1ccn1cnnc21 |
CHEMBL1367945 | O=c1cc2nc(-c3ccccc3)nc(SCc3cccc(Br)c3)n2[nH]1 | [O][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][Ring2][Ring1][Branch1][NH1][Ring2][Ring1][Branch2] | O=c1cc2nc7nc6n2[nH]1.c15cccc(Br)c1.c17ccccc1.S46.C45 |
CHEMBL1368065 | COc1cc(Br)c(C2C(C#N)=C(N)Oc3[nH]nc(-c4cccnc4)c32)cc1OC | [C][O][C][=C][C][Branch1][C][Br][=C][Branch2][Ring1][S][C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][O][C][NH1][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Ring1][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2][O][C] | c15cc(Br)c(C2C(C#N)=C(N)Oc3[nH]nc7c32)cc16.c17cccnc1.CO5.O6C |
CHEMBL1368066 | COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)c[nH]2)cc1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][NH1][Ring1][=C][C][=C][Ring2][Ring1][#Branch1][Cl] | c18cc(S6(=O)=O)c[nH]1.c15ccc7cc1Cl.N16CCCCC1.C48=O.CO5.N47 |
CHEMBL4941992 | Cn1nc(C(=O)N(CC(F)(F)F)C2CCC2)ccc1=O | [C][N][N][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][C][C][C][Ring1][Ring2][C][=C][C][Ring2][Ring1][C][=O] | Cn1nc6ccc1=O.C4C(F)(F)F.C15CCC1.C36=O.N345 |
CHEMBL4941993 | CN(C[C@H]1CCS(=O)(=O)C1)c1cnn(C)c1 | [C][N][Branch1][#C][C][C@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | C14CCS(=O)(=O)C1.c13cnn(C)c1.CN23.C24 |
CHEMBL4941994 | COc1ccc(CC(=O)NC[C@H]2CCC3(CCOCC3)CO2)c(C)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][C][O][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | C17CCC2(CCOCC2)CO1.c15ccc8c(C)c1.C8C4=O.CO5.N46.C67 |
CHEMBL4941995 | CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(OC)CC1 | [C][C][N][C][Branch1][#C][C@H1][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][=C][Ring1][#C][N][C][C][C][Branch1][Ring1][O][C][C][C][Ring1][Branch2] | n17c6nnc18.c15ccccc1F.N16CCC4CC1.C38C.CC7.O35.O4C |
CHEMBL4941996 | Cc1cc(C(=O)N2CC[C@H](OC(F)F)C2)c(C)n1C1CC1 | [C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][F][F][C][Ring1][=Branch2][=C][Branch1][C][C][N][Ring1][P][C][C][C][Ring1][Ring1] | Cc1cc5c(C)n16.N13CCC4C1.O4C(F)F.C35=O.C16CC1 |
CHEMBL1368067 | Cc1nc2sc(C(c3cccs3)N3CCN(c4ccccc4)CC3)c(O)n2n1 | [C][C][N][=C][S][C][Branch2][Ring1][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=C][Branch1][C][O][N][Ring2][Ring1][Branch2][N][=Ring2][Ring1][O] | Cc1nc2sc7c(O)n2n1.N15CCN6CC1.c16ccccc1.c18cccs1.C578 |
CHEMBL1369971 | O=C1CCC(Cc2ccccc2)N1 | [O][=C][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N] | O=C1CCC3N1.c14ccccc1.C34 |
CHEMBL1369972 | Nc1cc(N)nc(SCCOc2ccccc2)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch1][=N][S][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][P] | Nc1cc(N)nc6n1.c14ccccc1.C5C3.S56.O34 |
CHEMBL1369973 | CC(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][C][C][Ring1][P] | N14CCC2(CCCN5C2)CC1.c15ncccn1.CC4=O |
CHEMBL1369974 | O=c1c2cccnc2n(Cc2ccccc2F)c(=O)n1Cc1ccc(F)cc1 | [O][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | O=c1c2cccnc2n3c(=O)n14.c15ccccc1F.c16ccc(F)cc1.C35.C46 |
CHEMBL4942062 | O=C(NCCc1cc(C(F)(F)F)ccn1)[C@H]1[C@@H]2CCCO[C@@H]21 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=N][Ring1][#Branch2][C@H1][C@@H1][C][C][C][O][C@@H1][Ring1][=Branch1][Ring1][#Branch1] | c16cc7ccn1.C15C2CCCOC12.C7(F)(F)F.O=C35.C4C6.N34 |
CHEMBL1369975 | COc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Branch1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Ring2][Ring1][=Branch1][=O][C][=C][R... | c14ccc(S8(=O)=O)cc1.C17%10NC(=O)N9C1=O.c1%11ccc5c6c1.C%10(F)(F)F.C9C%11.CO4.N78.O5C.O6C |
CHEMBL1369976 | CCCC(=O)Nc1ccccc1NC(=O)c1ccc(OC)cc1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c15ccccc16.c17ccc4cc1.CCCC2=O.C37=O.N25.N36.O4C |
CHEMBL1369978 | CCC(Sc1nc2ccc[nH]c-2n1)C(=O)NC1CCCC1 | [C][C][C][Branch1][#C][S][C][=N][C][=C][C][=C][NH1][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] | c16nc2ccc[nH]c-2n1.CCC4C3=O.C15CCCC1.S46.N35 |
CHEMBL4942133 | COc1ccc(C)c(S(=O)(=O)N[C@@H](C)c2nccs2)c1 | [C][O][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=N][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][C] | c13ccc(C)c(S5(=O)=O)c1.c16nccs1.C46C.CO3.N45 |
CHEMBL4942134 | CC1=C(CN2C[C@@H]3NCCO[C@H]3C2)C(C)(C)CCC1 | [C][C][=C][Branch1][#C][C][N][C][C@@H1][N][C][C][O][C@H1][Ring1][=Branch1][C][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][C] | CC1=C(C4)C(C)(C)CCC1.N14CC2NCCOC2C1 |
CHEMBL1369979 | O=C(COc1cccnc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)cc1 | [O][=C][Branch1][S][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N] | c15cccnc1[N+](=O)[O-].c16ccc7cc1.N17CCOCC1.O=C3C4.O45.N36 |
CHEMBL1372145 | COc1ccc(-n2cc(C(=O)Nc3cc(F)ccc3F)c3ccccc3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O][C][=C][Ring2][Ring1][N] | n18cc7c2ccccc2c1=O.c16cc(F)ccc1F.c15ccc8cc1.C47=O.CO5.N46 |
CHEMBL1372146 | O=C(NCCS(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1)C(c1ccccc1)c1ccccc1 | [O][=C][Branch2][Ring1][S][N][C][C][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][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | N15CCN6CC1.c16cccc(Cl)c1.C4CS5(=O)=O.c17ccccc1.c18ccccc1.O=C3C78.N34 |
CHEMBL1372147 | Cc1ccc(NC(=O)C[S+]([O-])CC(=O)N(CC(=O)NC2CCCC2)c2ccc3c(c2)OCCO3)cc1 | [C][C][=C][C][=C][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][S+1][Branch1][C][O-1][C][C][=Branch1][C][=O][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring2][Ring1] | c19ccc2c(c1)OCCO2.C4(=O)C[S+]([O-])CC5=O.Cc1ccc8cc1.C1%10CCCC1.C7C6=O.N579.N48.N6%10 |
CHEMBL1372148 | CN1C(=O)C2(SCC(=O)N2c2ccc(F)cc2)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | CN1C(=O)C2(SCC(=O)N23)c2ccccc21.c13ccc(F)cc1 |
CHEMBL4942204 | CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCCCCC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1] | N14CCCCCC1.N13CCCC16.CC5(C)C.C23=O.C46=O.O25 |
CHEMBL4942205 | COc1ccc(N2CCN(C(=O)N[C@H]3CN(C)C[C@@H]3OC)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@H1][C][N][Branch1][C][C][C][C@@H1][Ring1][=Branch1][O][C][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c17ccc8cc1.N18CCN4CC1.C19CN(C)CC16.C45=O.CO7.N59.O6C |
CHEMBL4942206 | CCc1nc(NS(=O)(=O)Cc2ccccc2C)no1 | [C][C][C][=N][C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][Ring1][P] | c16ccccc1C.c15nc4no1.S3(=O)(=O)C6.CC5.N34 |
CHEMBL4942207 | CCN(CC)[C@H]1CCN(Cc2nc(C3(c4ccc(C)cc4)CCCC3)no2)C1 | [C][C][N][Branch1][Ring1][C][C][C@H1][C][C][N][Branch2][Ring1][S][C][C][=N][C][Branch2][Ring1][Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][N][=N][O][Ring1][P][C][Ring2][Ring1][#Branch1] | c1%11ccc(C)cc1.C18CCN7C1.c19nc%10no1.C1%10%11CCCC1.N568.CC5.C6C.C79 |
CHEMBL4942209 | O=C(Nc1ccccc1)N1CCC(N2C[C@H](OCC3CC3)C23CCOCC3)CC1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch2][Ring1][#Branch1][N][C][C@H1][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][Ring1][=Branch2][C][C][O][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2] | N19CC7C12CCOCC2.N15CCC9CC1.c18ccccc1.O=C45.C1%10CC1.N48.O67.C6%10 |
CHEMBL1372149 | C[C@]1(C(=O)O)C=C[C@@H](Cc2ccccc2)N1C(=O)c1ccccc1 | [C][C@][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC14C=CC6N13.c17ccccc1.c15ccccc1.C4(=O)O.C35=O.C67 |
CHEMBL1372150 | O=C1c2ccccc2C(=O)N1c1ccccn1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1] | O=C1c2ccccc2C(=O)N13.c13ccccn1 |
CHEMBL1372151 | Oc1ccccc1C(=S)N1CCN(C(=S)c2ccccc2O)CC1 | [O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=S][N][C][C][N][Branch1][=C][C][=Branch1][C][=S][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][#C] | Oc1ccccc1C(=S)N1CCN(C(=S)c2ccccc2O)CC1 |
CHEMBL1372152 | CCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCN(CC)CC3)cc2)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][=N][N][C][C][N][Branch1][Ring1][C][C][C][C][Ring1][Branch2][C][=C][Ring1][=C][=C][Ring2][Ring1][#Branch2] | c16cccc%10c1.c18ccc9cc1.N19CCN7CC1.N4C(=S)N8.C4%10=O.CC5.O56.C7C |
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