ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
27122 | O=S(=O)(NC1CCCCC1)c1ccc(-n2cnnn2)cc1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O] | O=S3(=O)c1ccc5cc1.C14CCCCC1.n15cnnn1.N34 |
27123 | O=S(=O)(NC1CCCC1)c1ccc(-n2cnnn2)cc1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O] | O=S3(=O)c1ccc5cc1.C14CCCC1.n15cnnn1.N34 |
27124 | O=C(Nc1ccccc1-c1ccccc1)c1cnccn1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][C][=N][Ring1][=Branch1] | c13ccccc15.c15ccccc1.c14cnccn1.O=C24.N23 |
27125 | Cn1nnnc1SCC(=O)c1ccccc1F | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c13ccccc1F.Cn1nnnc14.C2C3=O.S24 |
27126 | Cc1ccc(-n2nnnc2SCC(=O)NCc2ccco2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.n17nnnc18.c16ccco1.C5C3=O.S58.N34.C46 |
27128 | Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc6cc1.c15ccccc1C.n16nnnc17.C4C3=O.S47.N35 |
27129 | Cc1ccc(-n2nnnc2SCC(=O)N2CCCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.n15nnnc16.N13CCCC1.C4C3=O.S46 |
27130 | Cc1ccc(-n2nnnc2SCC(=O)N2C(C)CCCC2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][#Branch1] | N13C(C)CCCC1C.Cc1ccc5cc1.n15nnnc16.C4C3=O.S46 |
27131 | Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2F)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc6cc1.c15ccccc1F.n16nnnc17.C4C3=O.S47.N35 |
27132 | CNC(=O)CSc1nnnn1-c1ccc(C)cc1 | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c14ccc(C)cc1.c15nnnn14.C2(=O)C3.CN2.S35 |
27133 | CC(C)OC(=O)CSc1nnc2c3ccccc3n(C)c2n1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][#Branch2][=N][Ring1][=C] | c17nnc2c3ccccc3n(C)c2n1.C4(=O)C6.CC5C.O45.S67 |
27136 | Cn1c2ccccc2c2nnc(SCC(=O)N3CCCC3)nc21 | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][=C][Ring1][#C][Ring2][Ring1][=Branch1] | Cn1c2ccccc2c2nnc6nc21.N14CCCC1.C5C4=O.S56 |
27139 | O=C(CSc1nnc(-c2cccc(Cl)c2)o1)N1CCCC1 | [O][=C][Branch2][Ring1][#Branch1][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][Ring1][N][N][C][C][C][C][Ring1][Branch1] | c16cccc(Cl)c1.c15nnc6o1.N13CCCC1.O=C3C4.S45 |
27140 | O=C(CSc1nnc(-c2ccccc2Cl)o1)N1CCCC1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring1][N][N][C][C][C][C][Ring1][Branch1] | c16ccccc1Cl.c15nnc6o1.N13CCCC1.O=C3C4.S45 |
27141 | O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CCCC1 | [O][=C][Branch2][Ring1][#Branch1][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N][N][C][C][C][C][Ring1][Branch1] | c16ccc(Cl)cc1.c15nnc6o1.N13CCCC1.O=C3C4.S45 |
27145 | COc1cccc(-c2nnc(SCC(=O)NCc3ccco3)o2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][S][=C][Ring2][Ring1][=Branch1] | c15cccc%10c1.c1%10nnc9o1.c18ccco1.C7C4=O.CO5.S79.N46.C68 |
27150 | CNC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)o1 | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][Ring1][#C] | c18ccc4c5c1.c17nnc8o1.C3(=O)C6.CN3.S67.O4C.O5C |
27151 | Cc1cc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2C)no1 | [C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][Ring1][N][C][=N][O][Ring2][Ring1][#Branch1] | c17nnc8n1C.c18ccc(O)cc1.Cc1cc6no1.C4(=O)C5.N46.S57 |
27152 | CC(C)(C)NC(=O)CSc1nc(N)cc(N)n1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2] | c15nc(N)cc(N)n1.CC3(C)C.C2(=O)C4.N23.S45 |
27154 | COc1cccc(C(=O)CSc2nc(N)cc(N)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][=C][Ring2][Ring1][C] | c16nc(N)cc(N)n1.c13cccc5c1.C5(=O)C4.CO3.S46 |
27156 | CN(C(=O)c1ccco1)c1nc(-c2ccccc2)cs1 | [C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O] | c14nc6cs1.c16ccccc1.c15ccco1.CN34.C35=O |
27157 | CN(C(=O)c1cccnc1)c1nc(-c2ccccc2)cs1 | [C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O] | c15cccnc1.c14nc6cs1.c16ccccc1.CN34.C35=O |
27158 | CCN(C(=O)c1ccco1)c1nc(-c2ccccc2)cs1 | [C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O] | c15nc7cs1.c17ccccc1.c16ccco1.N345.C36=O.CC4 |
27159 | CCC(=O)N(CC1CCCO1)c1nc(-c2ccccc2)cs1 | [C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O] | c15nc7cs1.c17ccccc1.C16CCCO1.CCC3=O.N345.C46 |
27160 | CC(=O)N(Cc1ccco1)c1nc(-c2ccccc2)cs1 | [C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O] | c15nc7cs1.c17ccccc1.c16ccco1.CC3=O.N345.C46 |
27161 | CCC(=O)N(Cc1ccco1)c1nc(-c2ccccc2)cs1 | [C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O] | c15nc7cs1.c17ccccc1.c16ccco1.CCC3=O.N345.C46 |
27162 | COc1ccc(-c2csc(NCC3CCCO3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][C] | c14ccc8cc1.c18csc6n1.C17CCCO1.CO4.N56.C57 |
27165 | O=C(CSc1nnc(-c2ccccc2)o1)NC1CCCC1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][N][C][C][C][C][C][Ring1][Branch1] | c16nnc7o1.c17ccccc1.C15CCCC1.O=C3C4.S46.N35 |
27166 | O=C(CSc1nnc(-c2ccccc2)o1)NCC1CCCO1 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][N][C][C][C][C][C][O][Ring1][Branch1] | c17nnc8o1.c18ccccc1.C16CCCO1.O=C3C5.S57.N34.C46 |
27170 | Cc1cccc(-c2nnc(SCC(=O)N3CCCC3)o2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=N][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][O][Ring1][=C][=C][Ring2][Ring1][Ring2] | Cc1cccc7c1.c17nnc6o1.N14CCCC1.C5C4=O.S56 |
27171 | Cc1cccc(-c2nnc(SCC(=O)NC3CCCC3)o2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][O][Ring1][#C][=C][Ring2][Ring1][Branch1] | Cc1cccc8c1.c18nnc7o1.C16CCCC1.C5C4=O.S57.N46 |
27172 | CCN(CC)C(=O)CSc1nnc(-c2cccc(C)c2)o1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][Ring1][N] | c18cccc(C)c1.c17nnc8o1.C3(=O)C6.N345.CC4.C5C.S67 |
27173 | Cc1cccc(-c2nnc(SCC(=O)NCC3CCCO3)o2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][O][Ring1][S][=C][Ring2][Ring1][=Branch1] | Cc1cccc9c1.c19nnc8o1.C17CCCO1.C6C4=O.S68.N45.C57 |
27174 | Cc1ccccc1-c1nnc(SCC(=O)N2CCCC2)o1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][O][Ring1][=C] | Cc1ccccc16.c16nnc5o1.N13CCCC1.C4C3=O.S45 |
27175 | Cc1ccccc1-c1nnc(SCC(=O)NC2CCCC2)o1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][O][Ring1][#C] | Cc1ccccc17.c17nnc6o1.C15CCCC1.C4C3=O.S46.N35 |
27176 | CCN(CC)C(=O)CSc1nnc(-c2ccccc2C)o1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][Ring1][N] | c18ccccc1C.c17nnc8o1.C3(=O)C6.N345.CC4.C5C.S67 |
27177 | Cc1ccc2nc(-c3ccncc3)c(NC3CCCC3)n2c1 | [C][C][C][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][N][Ring1][P][C][=Ring2][Ring1][Branch1] | Cc1ccc2nc6c4n2c1.c16ccncc1.C15CCCC1.N45 |
27180 | CNC(=O)CSc1nnc(COc2ccccc2)n1C | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C] | c18nnc7n1C.c15ccccc1.C3(=O)C6.CN3.S68.C47.O45 |
27181 | CCn1c(COc2cccc(C)c2)nnc1SCC(=O)NC | [C][C][N][C][Branch1][=C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][S][C][C][=Branch1][C][=O][N][C] | n17c8nnc19.c15cccc(C)c1.C6C3=O.CC7.C48.O45.S69.N3C |
27182 | CCn1c(COc2ccccc2C)nnc1SCC(=O)NC | [C][C][N][C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Ring1][=C][S][C][C][=Branch1][C][=O][N][C] | n17c8nnc19.c15ccccc1C.C6C3=O.CC7.C48.O45.S69.N3C |
27183 | CC(C)N(C(=O)CSc1nc(N)cc(N)n1)C(C)C | [C][C][Branch1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][C][Branch1][C][C][C] | c16nc(N)cc(N)n1.C2(=O)C5.CC3C.N234.C4(C)C.S56 |
27184 | CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nc(N)cc(N)n1 | [C][C][Branch1][C][C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2] | c17nc(N)cc(N)n1.c16ccccc1.CC3(C)C.C2(=O)C5.N234.C46.S57 |
27185 | Nc1cc(N)nc(SCC(=O)N2CCOCC2)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][P] | Nc1cc(N)nc5n1.N13CCOCC1.C4C3=O.S45 |
27186 | CCOc1cc(NC(=O)C2CCCO2)c(OCC)cc1NC(C)=O | [C][C][O][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][P][N][C][Branch1][C][C][=O] | c17cc9c8cc1%10.C1%11CCCO1.C3%11=O.C4(C)=O.CC5.O57.N39.O68.C6C.N4%10 |
27189 | O=C(Nc1nnc(-c2ccco2)s1)c1cccnc1 | [O][=C][Branch2][Ring1][C][N][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][S][Ring1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1] | c14nnc6s1.c15cccnc1.c16ccco1.O=C35.N34 |
27190 | O=C(Nc1nnc(-c2ccco2)s1)C1CCCO1 | [O][=C][Branch2][Ring1][C][N][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][S][Ring1][#Branch2][C][C][C][C][O][Ring1][Branch1] | c14nnc6s1.c16ccco1.C15CCCO1.O=C35.N34 |
27191 | O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cnccn1 | [O][=C][Branch2][Ring1][#Branch1][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][N][=C][C][=N][Ring1][=Branch1] | c14nc2c(s1)CCc1ccccc1-2.c15cnccn1.O=C35.N34 |
27192 | CC(C)C(=O)Nc1nc2c(s1)CCc1ccccc1-2 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | c14nc2c(s1)CCc1ccccc1-2.CC(C)C3=O.N34 |
27193 | CC1CCc2c(sc3ncnc(SCC(=O)N4CCCC4)c23)C1 | [C][C][C][C][C][=C][Branch2][Ring1][N][S][C][=N][C][=N][C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring2][Ring1][C][Ring1][#C][C][Ring2][Ring1][=Branch1] | CC1CCc2c(sc3ncnc7c23)C1.N15CCCC1.C6C5=O.S67 |
27194 | CNC(=O)CSc1ncnc2sc3c(c12)CCC(C)C3 | [C][N][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][Branch1][C][C][C][Ring1][Branch2] | c16ncnc2sc3c(c12)CCC(C)C3.C4(=O)C5.CN4.S56 |
27195 | Cc1ccc2nc(SCC(=O)N3CCCC3)c(C)cc2c1 | [C][C][=C][C][=C][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2] | Cc1ccc2nc6c(C)cc2c1.N14CCCC1.C5C4=O.S56 |
27196 | CC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 | [C][C][=Branch1][C][=O][N][C][=N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][S][Ring1][=C] | c16ccc2c(c1)OCO2.c15nc6cs1.CC4=O.N45 |
27197 | CCC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 | [C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][S][Ring1][=C] | c16ccc2c(c1)OCO2.c15nc6cs1.CCC4=O.N45 |
27198 | CC(C)C(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][S][Ring1][=C] | c16ccc2c(c1)OCO2.c15nc6cs1.CC(C)C4=O.N45 |
27199 | CC(C)CC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][S][Ring1][=C] | c16ccc2c(c1)OCO2.CC(C)CC4=O.c15nc6cs1.N45 |
27200 | O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)C1CC1 | [O][=C][Branch2][Ring1][#Branch2][N][C][=N][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][S][Ring1][=C][C][C][C][Ring1][Ring1] | c17ccc2c(c1)OCO2.c15nc7cs1.O=C46.C16CC1.N45 |
27202 | COc1ccc(C(=O)CSc2nnc(-c3ccco3)o2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c14ccc6cc1.c17nnc8o1.c18ccco1.C6(=O)C5.CO4.S57 |
27203 | CC1CCCC(C)N1C(=O)CSc1nnc(-c2ccco2)o1 | [C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2] | CC1CCCC(C)N13.c15nnc6o1.c16ccco1.C3(=O)C4.S45 |
27204 | O=C(CSc1nnc(-c2ccco2)o1)Nc1ccc2c(c1)OCO2 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c16nnc7o1.c17ccco1.O=C3C4.S46.N35 |
27205 | O=C(CSc1nnc(-c2ccco2)o1)NC1CCCC1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][N][C][C][C][C][C][Ring1][Branch1] | c16nnc7o1.c17ccco1.C15CCCC1.O=C3C4.S46.N35 |
27206 | O=C(CSc1nnc(-c2ccco2)o1)Nc1cccc(F)c1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15cccc(F)c1.c16nnc7o1.c17ccco1.O=C3C4.S46.N35 |
27207 | CCN(CC)C(=O)CSc1nnc(-c2ccco2)o1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2] | c17nnc8o1.c18ccco1.C3(=O)C6.N345.CC4.C5C.S67 |
27208 | O=C(CSc1nnc(-c2ccco2)o1)NCCc1ccccc1 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nnc8o1.c16ccccc1.c18ccco1.O=C3C5.C4C6.S57.N34 |
27209 | O=C(CSc1nnc(-c2ccco2)o1)N1CCc2ccccc21 | [O][=C][Branch2][Ring1][Ring1][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCc2ccccc21.c15nnc6o1.c16ccco1.O=C3C4.S45 |
27210 | COc1ccc(-c2nnc(SCC(=O)N3CCCCC3)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][Ring1][#C][C][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.c18nnc7n1C.N14CCCCC1.C6C4=O.CO5.S67 |
27211 | COc1ccc(-c2nnc(SCC(=O)NC3CCCC3)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][Ring1][#C][C][C][=C][Ring2][Ring1][=Branch1] | c15ccc9cc1.c19nnc8n1C.C17CCCC1.C6C4=O.CO5.S68.N47 |
27213 | CCc1nnc(NC(=O)CSc2nncn2C)s1 | [C][C][C][=N][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][S][Ring1][S] | c16nnc5s1.c17nncn1C.C3(=O)C4.CC6.N35.S47 |
27214 | CC(=O)Nc1ccc(NC(=O)CSc2nncn2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=C][Ring1][P] | c16ccc7cc1.c18nncn1C.C4(=O)C5.CC3=O.N36.N47.S58 |
27215 | Cc1sc(NC(=O)CSc2nncn2C)c(C#N)c1C | [C][C][S][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][Branch1][Ring1][C][#N][C][=Ring2][Ring1][C][C] | Cc1sc5c(C#N)c1C.c16nncn1C.C3(=O)C4.N35.S46 |
27216 | COc1ccc(OC)c(-c2csc(NC(=O)c3ccco3)n2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][C][=C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][=N][=C][Ring2][Ring1][Branch1] | c15ccc6c9c1.c19csc7n1.c18ccco1.C48=O.CO5.O6C.N47 |
27217 | COc1ccc(OC)c(-c2csc(NC(=O)c3cccs3)n2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][C][=C][S][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][=N][=C][Ring2][Ring1][Branch1] | c15ccc6c9c1.c19csc7n1.c18cccs1.C48=O.CO5.O6C.N47 |
27219 | COc1ccc(OC)c(-c2csc(NC(=O)c3cccnc3)n2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][C][=C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][=C][=C][Ring2][Ring1][=Branch1] | c15ccc6c9c1.c19csc7n1.c18cccnc1.C48=O.CO5.O6C.N47 |
27220 | COc1ccc(OC)c(-c2csc(N(C)C(=O)c3ccco3)n2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch2][C][=C][S][C][Branch1][S][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][=C][=C][Ring2][Ring1][=Branch1] | c15ccc6c9c1.c19csc7n1.c18ccco1.N47C.C48=O.CO5.O6C |
27221 | COc1ccc(NC(=O)CCn2cnc3cc(C)c(C)cc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][N][C][=N][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | n17cnc2cc(C)c(C)cc21.c15ccc6cc1.C4(=O)CC7.CO5.N46 |
27222 | CNc1nc(-c2cc3cccc(OC)c3oc2=O)cs1 | [C][N][C][=N][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][Ring1][N][=O][=C][S][Ring2][Ring1][C] | c16cc2cccc4c2oc1=O.c15nc6cs1.CN5.O4C |
27223 | CC(=O)c1cccc(NC(=O)c2ccc(-n3cnnn3)cc2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][=C][Ring2][Ring1][Ring2] | c16cccc5c1.c17ccc8cc1.n18cnnn1.CC6=O.C47=O.N45 |
27224 | CC(=O)c1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c16ccc(S5(=O)=O)cc1.c17ccc2c(c1)OCO2.CC6=O.N45.C47 |
27227 | O=C(Cn1nnc(-c2cccs2)n1)Nc1ccccc1 | [O][=C][Branch2][Ring1][C][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15nnc6n1.c14ccccc1.c16cccs1.O=C3C5.N34 |
27228 | O=C(Cn1nnc(-c2cccs2)n1)NC1CCCCC1 | [O][=C][Branch2][Ring1][C][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1] | n15nnc6n1.C14CCCCC1.c16cccs1.O=C3C5.N34 |
27229 | O=C(Cn1nnc(-c2cccs2)n1)Nc1cccc2ccccc12 | [O][=C][Branch2][Ring1][C][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c14cccc2ccccc12.n15nnc6n1.c16cccs1.O=C3C5.N34 |
27230 | Cc1ccc(NC(=O)Cn2nnc(-c3cccs3)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.n16nnc7n1.c17cccs1.C4(=O)C6.N45 |
27231 | Cc1ccccc1NC(=O)Cn1nnc(-c2cccs2)n1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2] | Cc1ccccc14.n15nnc6n1.c16cccs1.C3(=O)C5.N34 |
27233 | Cc1cccc(NC(=O)Cn2nnc(-c3cccs3)n2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][Ring2][C] | Cc1cccc5c1C.n16nnc7n1.c17cccs1.C4(=O)C6.N45 |
27235 | COc1ccccc1NC(=O)Cn1nnc(-c2cccs2)n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2] | c14ccccc15.n16nnc7n1.c17cccs1.C3(=O)C6.CO4.N35 |
27236 | COc1ccc(NC(=O)Cn2nnc(-c3cccs3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c15ccc6cc1.n17nnc8n1.c18cccs1.C4(=O)C7.CO5.N46 |
27237 | COc1ccc(OC)c(NC(=O)Cn2nnc(-c3cccs3)n2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][=Branch1] | c15ccc6c7c1.n18nnc9n1.c19cccs1.C4(=O)C8.CO5.O6C.N47 |
27238 | CCOc1ccccc1NC(=O)Cn1nnc(-c2cccs2)n1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2] | c15ccccc16.n17nnc8n1.c18cccs1.C3(=O)C7.CC4.O45.N36 |
27239 | O=C(Cn1nnc(-c2cccs2)n1)Nc1ccc2c(c1)OCO2 | [O][=C][Branch2][Ring1][C][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c14ccc2c(c1)OCO2.n15nnc6n1.c16cccs1.O=C3C5.N34 |
27240 | O=C(Cn1nnc(-c2cccs2)n1)Nc1ccc(F)cc1 | [O][=C][Branch2][Ring1][C][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc(F)cc1.n15nnc6n1.c16cccs1.O=C3C5.N34 |
27241 | O=C(Cn1nnc(-c2cccs2)n1)Nc1cccc(F)c1 | [O][=C][Branch2][Ring1][C][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c14cccc(F)c1.n15nnc6n1.c16cccs1.O=C3C5.N34 |
27242 | COC(=O)c1ccc(NC(=O)Cn2nnc(-c3cccs3)n2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c17ccc6cc1.n18nnc9n1.c19cccs1.C5(=O)C8.C47=O.CO4.N56 |
27243 | CC(=O)Nc1ccc(NC(=O)Cn2nnc(-c3cccs3)n2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | c16ccc7cc1.n18nnc9n1.c19cccs1.C5(=O)C8.CC4=O.N46.N57 |
27244 | O=C(Cn1nnc(-c2cccs2)n1)N1CCCc2ccccc21 | [O][=C][Branch2][Ring1][C][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N13CCCc2ccccc21.n14nnc5n1.c15cccs1.O=C3C4 |
27245 | O=C(Cn1nnc(-c2cccs2)n1)N1CCc2ccccc21 | [O][=C][Branch2][Ring1][C][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCc2ccccc21.n14nnc5n1.c15cccs1.O=C3C4 |
27246 | CC1Cc2ccccc2N1C(=O)Cn1nnc(-c2cccs2)n1 | [C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2] | CC1Cc2ccccc2N13.n14nnc5n1.c15cccs1.C3(=O)C4 |
27247 | O=C(Cn1nnc(-c2cccs2)n1)NC1CCCC1 | [O][=C][Branch2][Ring1][C][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][N][C][C][C][C][C][Ring1][Branch1] | n15nnc6n1.c16cccs1.C14CCCC1.O=C3C5.N34 |
27248 | O=C(Cn1nnc(-c2cccs2)n1)NCc1ccco1 | [O][=C][Branch2][Ring1][C][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1] | n15nnc7n1.c17cccs1.c16ccco1.O=C3C5.N34.C46 |
27249 | Cc1cc(NC(=O)Cn2nnc(-c3cccs3)n2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][=N][O][Ring2][Ring1][Ring1] | Cc1cc5no1.n16nnc7n1.c17cccs1.C4(=O)C6.N45 |
27250 | Fc1ccc(Cn2nnc(-c3cccs3)n2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][C][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring1][P] | Fc1ccc5cc1.n14nnc6n1.c16cccs1.C45 |
27251 | Fc1ccccc1Cn1nnc(-c2cccs2)n1 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2] | Fc1ccccc14.n13nnc5n1.c15cccs1.C34 |
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