ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1936014 | CCOc1cc(NC(=O)Nc2cn[nH]c2)ccc1OC | [C][C][O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][=C][C][=C][Ring1][#C][O][C] | c16cc8ccc17.c19cn[nH]c1.C34=O.CC5.O56.N38.N49.O7C |
1936015 | CC(C)(C)NC(=O)c1cccc(NC(=O)Nc2cn[nH]c2)c1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring1][#C] | c19cccc7c1.c18cn[nH]c1.CC6(C)C.C39=O.C45=O.N36.N47.N58 |
1936016 | CCCN(CCC)C(=O)c1ccc(NC(=O)Nc2cn[nH]c2)cc1 | [C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][#C] | c1%10ccc8cc1.c19cn[nH]c1.CCC6.N367.C7CC.C3%10=O.C45=O.N48.N59 |
1936017 | COc1ccc(NC(=O)NCCC(=O)N(C)C)c2cccnc12 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][N][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | c16ccc8c2cccnc12.C7CC5=O.C34=O.N5(C)C.CO6.N38.N47 |
1936019 | CC1CN(c2ccccc2NC(=O)Nc2cn[nH]c2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][=Branch1] | CC1CN5CC(C)O1.c15ccccc16.c17cn[nH]c1.C34=O.N36.N47 |
1936020 | CNC(=O)c1cc(NC(=O)Nc2cn[nH]c2)ccc1Cl | [C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][=C][C][=C][Ring1][#C][Cl] | c18cc6ccc1Cl.c17cn[nH]c1.C38=O.C45=O.CN3.N46.N57 |
1936022 | O=C(Nc1cn[nH]c1)Nc1cccc(C(=O)N2CCCCC2)c1 | [O][=C][Branch1][=Branch2][N][C][C][=N][NH1][C][=Ring1][Branch1][N][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=C] | c17cccc8c1.N15CCCCC1.c16cn[nH]c1.O=C34.C58=O.N36.N47 |
1936023 | O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)Nc1cn[nH]c1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][#C][N][C][C][=N][NH1][C][=Ring1][Branch1] | c16ccc8cc1.N15CCCCCC1.c17cn[nH]c1.O=C34.C58=O.N36.N47 |
1936024 | CC(C)NC(=O)c1ccc(NC(=O)Nc2cn[nH]c2)cc1 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][#C] | c19ccc7cc1.c18cn[nH]c1.CC6C.C39=O.C45=O.N36.N47.N58 |
1936025 | CCNC(=O)c1ccc(NC(=O)Nc2cn[nH]c2)c(C)c1 | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][Branch1][C][C][=C][Ring1][S] | c19ccc7c(C)c1.c18cn[nH]c1.C39=O.C45=O.CC6.N36.N47.N58 |
1936026 | CC(C)CNC(=O)c1ccc(NC(=O)Nc2cn[nH]c2)cc1Cl | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][#C][Cl] | c19ccc7cc1Cl.c18cn[nH]c1.CC(C)C6.C39=O.C45=O.N36.N47.N58 |
1936028 | COc1ccc(NC(=O)NCC(C)(C)C(N)=O)c2cccnc12 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][N][=O][C][=C][C][=C][N][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | c15ccc7c2cccnc12.C6C(C)(C)C(N)=O.C34=O.CO5.N37.N46 |
1936029 | CC(=O)Nc1ccc(Cl)c(NC(=O)Nc2cn[nH]c2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][=C][Ring1][S] | c16ccc(Cl)c7c1.c18cn[nH]c1.CC3=O.C45=O.N36.N47.N58 |
1936030 | COc1ccc(NC(=O)NCCOCC(C)C)c2cccnc12 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][O][C][C][Branch1][C][C][C][C][=C][C][=C][N][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | c17ccc9c2cccnc12.C6C(C)C.C34=O.C8C5.CO7.N39.N48.O56 |
1936031 | CCOCc1ccccc1NC(=O)Nc1cn[nH]c1 | [C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1] | c18ccccc16.c17cn[nH]c1.C23=O.CC4.O45.C58.N26.N37 |
1936032 | CCCNC(=O)c1ccc(NC(=O)Nc2cn[nH]c2)cc1Cl | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][#C][Cl] | c19ccc7cc1Cl.c18cn[nH]c1.CCC6.C39=O.C45=O.N36.N47.N58 |
1936033 | CCC(C)NC(=O)c1ccc(NC(=O)Nc2cn[nH]c2)cc1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][#C] | c19ccc7cc1.c18cn[nH]c1.CCC6C.C39=O.C45=O.N36.N47.N58 |
1936034 | CCc1nc(CN2CCN(C(=O)NC3CCOCC3)CC2)cs1 | [C][C][C][=N][C][Branch2][Ring1][=Branch2][C][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][#C][=C][S][Ring2][Ring1][Branch1] | N16CCN4CC1.c18nc9cs1.C17CCOCC1.C45=O.CC8.C69.N57 |
1936035 | CCC(C)NC(=O)CCNC(=O)Nc1ccc(OC)c2ncccc12 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=N][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c19ccc6c2ncccc12.C3(=O)CC8.CCC7C.C45=O.N37.N48.N59.O6C |
1936036 | CCCNC(=O)CCNC(=O)Nc1ccc(OC)c2ncccc12 | [C][C][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=N][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c19ccc6c2ncccc12.C3(=O)CC8.CCC7.C45=O.N37.N48.N59.O6C |
1936037 | COc1ccc(NC(=O)NCC(C)Cn2cccn2)c2cccnc12 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][N][C][=C][C][=N][Ring1][Branch1][C][=C][C][=C][N][=C][Ring2][Ring1][#Branch1][Ring1][=Branch1] | c15ccc7c2cccnc12.C6C(C)C8.n18cccn1.C34=O.CO5.N37.N46 |
1936038 | C=CCN(CC=C)C(=O)c1ccc(NC(=O)Nc2cn[nH]c2)cc1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][#C] | c1%10ccc8cc1.c19cn[nH]c1.C=CC6.N367.C7C=C.C3%10=O.C45=O.N48.N59 |
1936041 | CC(Cc1ccc(O)cc1)NC(=O)NCC(C)N1CCOCC1 | [C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][N][C][C][O][C][C][Ring1][=Branch1] | c17ccc(O)cc1.N16CCOCC1.CC4C7.C5C6C.C23=O.N24.N35 |
1936042 | CCN(C(=O)NC(C)Cc1ccc(O)cc1)C1CC1 | [C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1] | c17ccc(O)cc1.C5(C)C7.N246.C23=O.C16CC1.CC4.N35 |
1936043 | CC(Cc1ccc(O)cc1)NC(=O)NC(C)Cc1cccs1 | [C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][S][Ring1][Branch1] | c17ccc(O)cc1.c16cccs1.CC4C7.C5(C)C6.C23=O.N24.N35 |
1936044 | COc1ccc(C(O)CNC(=O)NC(C)Cc2ccc(O)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] | c15ccc8cc1.c19ccc(O)cc1.C8(O)C6.C7(C)C9.C34=O.CO5.N36.N47 |
1936045 | CC(Cc1ccc(O)cc1)NC(=O)Nc1cnn(CC2CCCO2)c1 | [C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=Ring1][O] | c19ccc(O)cc1.c16cnn7c1.C18CCCO1.CC5C9.C34=O.N35.N46.C78 |
1936046 | Cc1ccc(NC(=O)Nc2cn[nH]c2)c(OCC(F)(F)F)c1 | [C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Branch1] | Cc1ccc7c6c1.c18cn[nH]c1.C5C(F)(F)F.C34=O.N37.N48.O56 |
1936047 | C=CCOc1cccc(NC(=O)N(CC)C2CC2)c1 | [C][=C][C][O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][Ring1][Ring1][=C][Ring1][#C] | c16cccc8c1.C=CC5.C34=O.N479.C19CC1.O56.N38.C7C |
1936049 | CCN(CC)C(=O)c1ccccc1NC(=O)Nc1cn[nH]c1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1] | c19ccccc17.c18cn[nH]c1.N256.C29=O.C34=O.CC5.C6C.N37.N48 |
1936050 | O=C(NCCCN1CCCC1=O)Nc1ccc(-c2csnn2)cc1 | [O][=C][Branch1][=N][N][C][C][C][N][C][C][C][C][Ring1][Branch1][=O][N][C][=C][C][=C][Branch1][Branch2][C][=C][S][N][=N][Ring1][Branch1][C][=C][Ring1][O] | c16ccc8cc1.N17CCCC1=O.c18csnn1.C5CC7.O=C34.N35.N46 |
1936051 | O=C(CCc1ccc(NC(=O)N(CCO)C2CC2)cc1)N1CCCC1 | [O][=C][Branch2][Ring1][=N][C][C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][C][Ring1][Ring1][C][=C][Ring1][S][N][C][C][C][C][Ring1][Branch1] | c19ccc7cc1.O=C3CC9.N13CCCC1.C45=O.N568.C6CO.C18CC1.N47 |
1936052 | CCCC1CCC(NC(=O)NCCNC(=O)c2cccnc2)CC1 | [C][C][C][C][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1] | C1%10CCC8CC1.c19cccnc1.CCC%10.C34=O.C6C7.C59=O.N38.N46.N57 |
1936053 | CCNC(=O)CNC(=O)NCC1(c2cccc(Cl)c2)CCCC1 | [C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c1%10cccc(Cl)c1.C19%10CCCC1.C3(=O)C7.C45=O.CC6.N36.N47.N58.C89 |
1936055 | COCC(=O)N1CCN(C(=O)NCC2CCCC(C)C2)CC1 | [C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][Ring1][P] | N13CCN4CC1.C18CCCC(C)C1.C6C3=O.C45=O.CO6.N57.C78 |
1936056 | CC1CCCC(CNC(=O)NCc2ccnc(-n3cccn3)c2)C1 | [C][C][C][C][C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][Ring1][O][C][Ring2][Ring1][#Branch1] | CC1CCCC8C1.c19ccnc%10c1.n1%10cccn1.C45=O.C68.N46.N57.C79 |
1936057 | CC1CCCC(CNC(=O)N2CCN(C(=O)N(C)C)CC2)C1 | [C][C][C][C][C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][C][Ring2][Ring1][Branch1] | CC1CCCC8C1.N14CCN5CC1.C34=O.C56=O.N6(C)C.C78.N37 |
1936058 | CC1CCCC(CNC(=O)N2CCC(CN3CCOCC3)CC2)C1 | [C][C][C][C][C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][=N][C][Ring2][Ring1][#Branch1] | CC1CCCC8C1.N15CCC9CC1.N17CCOCC1.C45=O.C68.N46.C79 |
1936059 | COCCN(Cc1ccco1)C(=O)NCC1CCCC(C)C1 | [C][O][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1] | C19CCCC(C)C1.c18ccco1.C4C5.N256.C23=O.CO4.C68.N37.C79 |
1936060 | COc1ccc(-n2ccc(CNC(=O)N3CCCC(CO)C3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring1][C][O][C][Ring1][Branch2][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c16ccc%10cc1.N15CCCC9C1.n1%10ccc8n1.C45=O.CO6.C78.N47.C9O |
1936062 | Cc1cc2cc(NC(=O)NCc3ccccc3-n3ccnc3)ccc2[nH]1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][Branch1][=C][C][=C][Ring2][Ring1][=Branch1][NH1][Ring2][Ring1][=Branch2] | Cc1cc2cc7ccc2[nH]1.c18ccccc19.n19ccnc1.C45=O.N47.N56.C68 |
1936064 | CCNC(=O)CNC(=O)NCC1(c2ccc(Cl)cc2)CCCC1 | [C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c1%10ccc(Cl)cc1.C19%10CCCC1.C3(=O)C7.C45=O.CC6.N36.N47.N58.C89 |
1936065 | CN1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 | [C][N][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][N][=N][Ring1][O][C][C][Ring2][Ring1][Ring1] | CN1CCN3CC1.c15cn6nn1.C6C4=O.C35=O.N4(C)C |
1936066 | CCN1CCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1 | [C][C][N][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][N][=N][Ring1][O][C][C][Ring2][Ring1][Ring1] | N15CCN3CC1.c16cn7nn1.C7C4=O.C36=O.N4(C)C.CC5 |
1936067 | O=C(C1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1)N1CCC1 | [O][=C][Branch2][Ring1][O][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][=C][N][C][C][C][Ring1][Ring2] | c15cc(Cl)cc(Cl)c1.C14CC(=O)N5C1.N13CCC1.O=C34 |
1936069 | CCC1CCC(NC(=O)c2cn(CC(=O)N(C)C)nn2)CC1 | [C][C][C][C][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][N][Branch1][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][N][=N][Ring1][O][C][C][Ring2][Ring1][Ring2] | C18CCC5CC1.c16cn7nn1.C7C4=O.C36=O.N4(C)C.CC8.N35 |
1936070 | Cc1nn2cccnc2c1C(=O)N(C)c1ccc(F)c(F)c1 | [C][C][=N][N][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | Cc1nn2cccnc2c15.c14ccc(F)c(F)c1.C35=O.N34C |
1936072 | CC(=O)NCC(=O)NCC1(c2cccc(Cl)c2)CCCC1 | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c18cccc(Cl)c1.C178CCCC1.C5C4=O.CC3=O.N35.N46.C67 |
1936073 | CN(CC(=O)NCC1(c2cccc(Cl)c2)CCCC1)C(N)=O | [C][N][Branch2][Ring1][N][C][C][=Branch1][C][=O][N][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][C][Ring1][N][C][Branch1][C][N][=O] | c18cccc(Cl)c1.C178CCCC1.C5C3=O.CN45.C4(N)=O.N36.C67 |
1936074 | Cc1cc(C)cc(OCCNC(=O)c2c(C)nn3cccnc23)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=Branch2][O][C][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][C][=C][C][=N][C][=Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | c18c(C)nn2cccnc12.Cc1cc6cc(C)c1.C5C7.C48=O.O56.N47 |
1936075 | CCC(C)Oc1ccc(NC(=O)c2c(C)nn3cccnc23)cc1 | [C][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][C][=C][C][=N][C][=Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c18c(C)nn2cccnc12.c16ccc7cc1.CCC5C.C48=O.O56.N47 |
1936076 | Cc1nn2cccnc2c1C(=O)NC(C)COc1ccc(F)cc1F | [C][C][=N][N][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | Cc1nn2cccnc2c17.c15ccc(F)cc1F.C6(C)C4.C37=O.N36.O45 |
1936077 | C=CCOc1cccc(NC(=O)c2c(C)nn3cccnc23)c1 | [C][=C][C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][C][=C][C][=N][C][=Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c18c(C)nn2cccnc12.c16cccc7c1.C=CC5.C48=O.O56.N47 |
1936078 | CC(=O)NCC(=O)NCC1(c2ccc(Cl)cc2)CCCC1 | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c18ccc(Cl)cc1.C178CCCC1.C5C4=O.CC3=O.N35.N46.C67 |
1936079 | CN(CC(=O)NCC1(c2ccc(Cl)cc2)CCCC1)C(N)=O | [C][N][Branch2][Ring1][N][C][C][=Branch1][C][=O][N][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][N][C][Branch1][C][N][=O] | c18ccc(Cl)cc1.C178CCCC1.C5C3=O.CN45.C4(N)=O.N36.C67 |
1936082 | CC(C)COc1cccc(CNC(=O)c2ccc[nH]2)c1 | [C][C][Branch1][C][C][C][O][C][=C][C][=C][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][=C][Ring1][#C] | c15cccc8c1.c17ccc[nH]1.CC(C)C4.C37=O.O45.C68.N36 |
1936083 | CC(C)COc1cccc(CNC(=O)CN2CCCCC2=O)c1 | [C][C][Branch1][C][C][C][O][C][=C][C][=C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][=C][Ring2][Ring1][C] | c15cccc8c1.N17CCCCC1=O.CC(C)C4.C3(=O)C7.O45.C68.N36 |
1936085 | CC(=O)NCC(=O)NCC1(c2ccc3c(c2)OCO3)CCCCC1 | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][C][C][C][Ring1][#C] | c19ccc2c(c1)OCO2.C189CCCCC1.C6C5=O.CC4=O.N46.N57.C78 |
1936086 | NS(=O)(=O)NCC1(c2cccc(Cl)c2)CCCC1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c15cccc(Cl)c1.C145CCCC1.NS(=O)(=O)N3.C34 |
1936087 | CC1CCCC(CNS(=O)(=O)c2ccccc2S(C)(=O)=O)C1 | [C][C][C][C][C][C][Branch2][Ring1][#Branch2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring2][Ring1][Branch1] | S4(=O)(=O)c1ccccc1S(C)(=O)=O.CC1CCCC5C1.C35.N34 |
1936088 | CC1CCCC(CNS(=O)(=O)c2cccc(C(N)=O)c2)C1 | [C][C][C][C][C][C][Branch2][Ring1][=Branch2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][C][Ring2][Ring1][Ring2] | S4(=O)(=O)c1cccc5c1.CC1CCCC6C1.C5(N)=O.C36.N34 |
1936089 | Cc1cnc2c(S(=O)(=O)N(C)CCC(F)(F)F)cccc2c1 | [C][C][=C][N][=C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | Cc1cnc2c(S4(=O)=O)cccc2c1.C3CC(F)(F)F.N34C |
1936090 | Cc1ccc(S(=O)(=O)N(C)CCC(F)(F)F)c2cccnc12 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][N][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | Cc1ccc(S4(=O)=O)c2cccnc12.C3CC(F)(F)F.N34C |
1936091 | NS(=O)(=O)NCC1(c2ccc(Cl)cc2)CCCC1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c15ccc(Cl)cc1.C145CCCC1.NS(=O)(=O)N3.C34 |
1936092 | Cc1ncc(CNS(=O)(=O)c2ccc(C)c3ncccc23)s1 | [C][C][=N][C][=C][Branch2][Ring1][O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=N][C][=C][C][=C][Ring1][O][Ring1][=Branch1][S][Ring2][Ring1][Branch1] | S5(=O)(=O)c1ccc(C)c2ncccc12.Cc1ncc6s1.C46.N45 |
1936093 | CC(C)N(Cc1ccc(-c2ccc(F)cc2)s1)S(N)(=O)=O | [C][C][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][N][S][Branch1][C][N][=Branch1][C][=O][=O] | c16ccc(F)cc1.N34S(N)(=O)=O.c15ccc6s1.CC3C.C45 |
1936094 | CC(C)N(Cc1ccc(-c2ccccc2F)s1)S(N)(=O)=O | [C][C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][N][S][Branch1][C][N][=Branch1][C][=O][=O] | c16ccccc1F.N34S(N)(=O)=O.c15ccc6s1.CC3C.C45 |
1936095 | COCCOc1ccccc1NC(=O)c1ccc(-n2cncn2)cc1 | [C][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O] | c16ccccc17.c18ccc9cc1.n19cncn1.C4C5.C38=O.CO4.O56.N37 |
1936097 | CC(=O)Nc1ccc(C)c(NCC(=O)NCc2ccco2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][S][N][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][C] | c17ccc(C)c8c1.c19ccco1.C5C4=O.CC3=O.N37.N58.N46.C69 |
1936098 | CNC(=O)c1cc(Cl)ccc1NCc1cc(C(=O)OC)c(C)o1 | [C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][O][Ring1][#Branch2] | c16cc(Cl)ccc15.c18cc7c(C)o1.C36=O.C27=O.CN3.N45.C48.O2C |
1936099 | CC(C)Oc1ccccc1NCC(=O)NC(C)c1ccco1 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][O][Ring1][Branch1] | c14ccccc17.c18ccco1.C5C2=O.CC3C.C68C.O34.N57.N26 |
1936100 | CCc1noc(CNc2ccc(-n3nccn3)cc2)n1 | [C][C][C][=N][O][C][Branch2][Ring1][Ring2][C][N][C][=C][C][=C][Branch1][Branch2][N][N][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][=N][Ring2][Ring1][C] | c15ccc8cc1.c16noc7n1.n18nccn1.CC6.C47.N45 |
1936101 | CCCc1noc(CNc2ccc(-n3nccn3)cc2)n1 | [C][C][C][C][=N][O][C][Branch2][Ring1][Ring2][C][N][C][=C][C][=C][Branch1][Branch2][N][N][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][=N][Ring2][Ring1][C] | c15ccc8cc1.c16noc7n1.n18nccn1.CCC6.C47.N45 |
1936102 | COC(=O)c1sc(-c2ccccc2Cl)cc1NC(C)=O | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][C][=Ring1][N][N][C][Branch1][C][C][=O] | c16sc7cc15.c17ccccc1Cl.C36=O.C4(C)=O.CO3.N45 |
1936104 | COCc1ccccc1NCC(=O)NC(C)c1ccco1 | [C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][O][Ring1][Branch1] | c18ccccc16.c17ccco1.C4C2=O.C57C.CO3.C38.N46.N25 |
1936105 | COc1ccc2c(CNc3ccc(-n4cccn4)cc3)cc(=O)oc2c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][=C][C][=Branch1][C][=O][O][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] | c15ccc2c8cc(=O)oc2c1.c17ccc9cc1.n19cccn1.CO5.C68.N67 |
1936106 | O=c1n(CCNc2ccc(-n3cccn3)cc2)nc2ccccn12 | [O][=C][N][Branch2][Ring1][Branch1][C][C][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][N][=C][C][=C][C][=C][N][Ring2][Ring1][#Branch1][Ring1][=Branch1] | O=c1n6nc2ccccn12.c15ccc7cc1.n17cccn1.C6C4.N45 |
1936107 | O=C(CNc1ccc(-n2cccn2)cc1)Nc1ccc2c(c1)OCO2 | [O][=C][Branch2][Ring1][Ring2][C][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c15ccc7cc1.n17cccn1.O=C3C4.N45.N36 |
1936109 | COc1ccccc1OCCC(=O)N(C)c1ccc(C)cc1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C] | c16ccc(C)cc1C.c14ccccc15.C3CC2=O.N26C.CO4.O35 |
1936110 | O=C1CN(C(=O)CNc2ccccc2-n2cccn2)c2ccccc2N1 | [O][=C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=Branch2] | O=C1CN3c2ccccc2N1.c15ccccc16.n16cccn1.C3(=O)C4.N45 |
1936111 | Cc1ccc(N(C)C(=O)c2c(C)nn3cccnc23)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][C][=C][C][=N][C][=Ring1][#Branch2][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Branch1] | c16c(C)nn2cccnc12.Cc1ccc5c(C)c1.N45C.C46=O |
1936112 | Cc1nn(C)c(C)c1C(=O)N(C)CCCOc1ccc(Cl)cc1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1nn(C)c(C)c16.c14ccc(Cl)cc1.C5CC3.C26=O.N25C.O34 |
1936113 | COc1ccccc1OCCN(C)C(=O)c1c(C)nn2cccnc12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][C][=C][C][=N][C][=Ring1][#Branch2][Ring1][=Branch1] | c18c(C)nn2cccnc12.c15ccccc16.C4C7.N37C.C38=O.CO5.O46 |
1936114 | CNC(=O)c1cccc(NCC(=O)NCc2ccco2)c1C | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][N][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][P][C] | c18cccc7c1C.c19ccco1.C5C4=O.C38=O.CN3.N57.N46.C69 |
1936115 | CCNC(=O)c1ccc(C)c(NCC(=O)NCc2ccco2)c1 | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][S][N][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][C] | c19ccc(C)c8c1.c1%10ccco1.C6C4=O.C39=O.CC5.N35.N68.N47.C7%10 |
1936117 | Cc1cc(C(=O)NCC2CCN(c3ccc(F)cc3)C2)n(C)n1 | [C][C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][N][N][Branch1][C][C][N][=Ring2][Ring1][=Branch1] | Cc1cc7n(C)n1.c16ccc(F)cc1.C18CCN6C1.C47=O.N45.C58 |
1936119 | CC(C1CC1)N(C)S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 | [C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O] | S3(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1.CC24.C14CC1.N23C |
1936120 | O=S(=O)(c1c[nH]c2ncccc12)N1CCC(c2ccccc2)CC1 | [O][=S][=Branch1][C][=O][Branch1][=C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] | O=S3(=O)c1c[nH]c2ncccc12.N13CCC4CC1.c14ccccc1 |
1936121 | COC(=O)c1c(-n2c(C)ccc2C)sc(C)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][N][N][C][Branch1][C][C][=C][C][=C][Ring1][=Branch1][C][S][C][Branch1][C][C][=C][Ring1][=N][C] | c14c5sc(C)c1C.n15c(C)ccc1C.C34=O.CO3 |
1936122 | Cc1ccc(Nc2nc3nonc3nc2Nn2cnnc2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][=C][Ring1][=Branch2][N][N][C][=N][N][=C][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | c14nc2nonc2nc1Nn1cnnc1.Cc1ccc5c(C)c1.N45 |
1936126 | CC1CCCN(C(=O)CNc2ccc3ccccc3c2)C1 | [C][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring2] | c16ccc2ccccc2c1.CC1CCCN4C1.C4(=O)C5.N56 |
1936127 | CCN(CC(=O)NCC1CCCO1)c1ccccc1C | [C][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c16ccccc1C.C17CCCO1.C4C2=O.N346.CC3.N25.C57 |
1936128 | NC(=O)c1ccc(CNc2ncnc3c2oc2ccccc23)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] | c15ncnc2c1oc1ccccc12.c16ccc7cc1.NC6=O.C47.N45 |
1936129 | CCn1c(Cc2ccccc2)nnc1SCCCC#N | [C][C][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][N][S][C][C][C][C][#N] | n14c5nnc17.c16ccccc1.C3CCC#N.CC4.C56.S37 |
1936130 | CCc1nc2ccccc2n1CC(O)COCc1ccccc1F | [C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][Branch1][C][O][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16nc2ccccc2n15.c17ccccc1F.C5C(O)C3.CC6.O34.C47 |
1936131 | CCc1nc2ccccc2n1CC(O)COCc1cccs1 | [C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][Branch1][C][O][C][O][C][C][=C][C][=C][S][Ring1][Branch1] | c16nc2ccccc2n15.C5C(O)C3.c17cccs1.CC6.O34.C47 |
1936132 | O=C(CNC(=O)c1cccc(F)c1)NCC1CCCO1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][C][C][C][O][Ring1][Branch1] | c16cccc(F)c1.C17CCCO1.O=C2C4.C36=O.N34.N25.C57 |
1936133 | CC(C)n1nc(C(=O)Nc2cccc(O)c2)c2ccccc2c1=O | [C][C][Branch1][C][C][N][N][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O] | n16nc5c2ccccc2c1=O.c14cccc(O)c1.CC6C.C35=O.N34 |
1936134 | CCOc1ccccc1N1CC(C(=O)Nc2cccc(O)c2)CC1=O | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][Ring1][#C][=O] | c15ccccc18.N18CC7CC1=O.c16cccc(O)c1.C37=O.CC4.O45.N36 |
1936135 | Cc1ccc(N2CC(C(=O)Nc3cccc(O)c3)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][N][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.N17CC6CC1=O.c15cccc(O)c1.C46=O.N45 |
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