ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
27873 | CCn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1ccccc1 | [C][C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c6nnc17.N13CCC(C)CC1.c17ccccc1.C4C3=O.CC5.S46 |
27874 | CCn1c(SCC(=O)N2CCCCC2C)nnc1-c1ccccc1 | [C][C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=N][N][=C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c6nnc17.N13CCCCC1C.c17ccccc1.C4C3=O.CC5.S46 |
27875 | CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1 | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n16c7nnc18.c18ccccc1.c15nccs1.C4C3=O.CC6.S47.N35 |
27878 | COc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][S][C][C][=C][Ring2][Ring1][=Branch1] | c14ccc8cc1.n18c7nnc19.c16ccc(F)cc1.CO4.C57.N56.S9C |
27879 | Cc1sc2ncn3c(SCC(N)=O)nnc3c2c1C | [C][C][S][C][N][=C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=Ring1][=C][C][=Ring1][P][C] | Cc1sc2ncn3c5nnc3c2c1C.C4C(N)=O.S45 |
27880 | CCOC(=O)CSc1nnc2c3c(C)c(C)sc3ncn12 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][C][Branch1][C][C][=C][Branch1][C][C][S][C][=Ring1][#Branch1][N][=C][N][Ring1][=C][Ring1][O] | c17nnc2c3c(C)c(C)sc3ncn12.C4(=O)C6.CC5.O45.S67 |
27881 | Cc1ccc(-n2c(C)nnc2SCC(N)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][C][C][Branch1][C][N][=O][C][=C][Ring1][P] | Cc1ccc4cc1.n14c5nnc1C.C3C(N)=O.S35 |
27882 | CCn1c(SCC(=O)N2CCOCC2)nnc1-c1ccccc1 | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c6nnc17.N13CCOCC1.c17ccccc1.C4C3=O.CC5.S46 |
27883 | COc1ccc(-c2nnc(SCC(N)=O)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][=C][Ring1][P] | c13ccc6cc1.c16nnc5n1C.C4C(N)=O.CO3.S45 |
27884 | COc1ccc(-c2nnn(CC(N)=O)n2)cc1OC | [C][O][C][=C][C][=C][Branch1][S][C][N][=N][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][=Ring1][=Branch2][C][=C][Ring1][#C][O][C] | c13ccc6cc14.c16nnn5n1.C5C(N)=O.CO3.O4C |
27885 | COc1ccc(-c2nnn(CC(=O)Nc3ccccc3)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][=N][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][#C][C][=C][Ring2][Ring1][Branch1][O][C] | c15ccc9cc16.c19nnn8n1.c17ccccc1.C8C4=O.CO5.N47.O6C |
27886 | COc1ccc(-c2nnn(CC(=O)c3ccccc3)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][=N][N][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][=C][C][=C][Ring2][Ring1][Ring2][O][C] | c14ccc8cc15.c18nnn7n1.c16ccccc1.C7C6=O.CO4.O5C |
27888 | Cc1nnc(SCC(N)=O)n1-c1cccc(Cl)c1 | [C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | Cc1nnc4n13.c13cccc(Cl)c1.C2C(N)=O.S24 |
27891 | COc1ccc2nc(SCC(=O)N3CCOCC3)c(C#N)cc2c1 | [C][O][C][=C][C][=C][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][Ring1][C][#N][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c15ccc2nc7c(C#N)cc2c1.N14CCOCC1.C6C4=O.CO5.S67 |
27894 | COc1ccc2nc3sc(C(=O)N4CCOCC4)c(N)c3cc2c1 | [C][O][C][=C][C][=C][N][=C][S][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][C][N][C][Ring1][=C][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c16ccc2nc3sc7c(N)c3cc2c1.N15CCOCC1.C57=O.CO6 |
27897 | COC(=O)CSc1nnc(CNc2ccc(C)cc2)n1C | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Ring1][=C][C] | c18nnc7n1C.c16ccc(C)cc1.C3(=O)C5.CO3.S58.C47.N46 |
27898 | Cc1ccc(NCc2nnc(SCC(N)=O)n2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5cc1.c16nnc7n1C.C4C(N)=O.N35.C36.S47 |
27899 | COC(=O)CSc1nnc(CNc2ccc(F)cc2)o1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][=C] | c16ccc(F)cc1.c18nnc7o1.C3(=O)C5.CO3.S58.C47.N46 |
27900 | NC(=O)CSc1nnc(CNc2ccc(F)cc2)o1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][=C] | c15ccc(F)cc1.c17nnc6o1.NC(=O)C4.S47.C36.N35 |
27905 | O=C(CSc1nnc(CNc2ccc(F)cc2)o1)c1ccccc1 | [O][=C][Branch2][Ring1][=Branch2][C][S][C][=N][N][=C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc(F)cc1.c18nnc7o1.c16ccccc1.O=C6C4.S48.C37.N35 |
27906 | Cc1ccc(-n2c(SCC(N)=O)nnc2-c2cccc(C)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc4cc1.n14c5nnc16.c16cccc(C)c1.C3C(N)=O.S35 |
27907 | CCn1c(CNc2ccccc2Cl)nnc1SCC(N)=O | [C][C][N][C][Branch1][N][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][N][=C][Ring1][=C][S][C][C][Branch1][C][N][=O] | n16c7nnc18.c15ccccc1Cl.C4C(N)=O.CC6.C37.N35.S48 |
27912 | Cc1cc(C)c2c(N)c(C(=O)N3CCC(C)CC3)sc2n1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][N][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][S][C][Ring1][#C][=N][Ring2][Ring1][Ring2] | Cc1cc(C)c2c(N)c5sc2n1.N14CCC(C)CC1.C45=O |
27914 | Cc1ccc2nc3sc(C(=O)Nc4nccs4)c(N)c3cc2c1 | [C][C][=C][C][=C][N][=C][S][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][Branch1][C][N][C][Ring1][=C][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc2nc3sc7c(N)c3cc2c1.c16nccs1.C57=O.N56 |
27918 | Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2)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][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc6cc1.n16nnnc17.c15ccccc1.C4C3=O.S47.N35 |
27919 | Cc1ccc(-n2nnnc2SCC(=O)Nc2cccc(C)c2)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][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc6cc1.c15cccc(C)c1.n16nnnc17.C4C3=O.S47.N35 |
27920 | Cc1ccc(-n2nnnc2SCC(=O)NCc2ccccc2)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][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc7cc1.n17nnnc18.c16ccccc1.C5C3=O.S58.N34.C46 |
27921 | Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(C)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][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][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc5cc1.c16ccc(C)cc1.c17nnnn16.C3(=O)C4.N35.S47 |
27922 | Cc1ccc(-n2nnnc2SCC(=O)c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc5cc1.n15nnnc16.c14ccccc1.C3C4=O.S36 |
27923 | CCn1c(SCC(N)=O)nnc1-c1cccnc1 | [C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1] | n13c4nnc15.c15cccnc1.C2C(N)=O.CC3.S24 |
27924 | CCn1c(SCc2ccccc2)nnc1-c1cccnc1 | [C][C][N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1] | n14c6nnc17.c15ccccc1.c17cccnc1.CC4.S36.C35 |
27925 | CCOC(=O)CSc1nnc(-c2cccnc2)n1CC | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][C] | c17nnc8n16.c18cccnc1.C3(=O)C5.CC4.O34.S57.C6C |
27926 | CCOC(=O)CSc1nnc(-c2ccccc2)n1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C] | c16nnc7n1C.c17ccccc1.C3(=O)C5.CC4.O34.S56 |
27927 | COC(=O)CSc1nnc(-c2ccccc2)n1C | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C] | c15nnc6n1C.c16ccccc1.C3(=O)C4.CO3.S45 |
27928 | Cn1c(SCC(=O)N2CCCCC2)nnc1-c1ccccc1 | [C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c5nnc16.N13CCCCC1.c16ccccc1.C4C3=O.S45 |
27929 | CC1CCCCN1C(=O)CSc1nnc(-c2ccccc2)n1C | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C] | CC1CCCCN13.c15nnc6n1C.c16ccccc1.C3(=O)C4.S45 |
27930 | Cn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1 | [C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c6nnc17.c17ccccc1.c15nccs1.C4C3=O.S46.N35 |
27931 | Cc1ccc(-n2c(SCC(N)=O)nnc2-c2ccco2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc4cc1.n14c5nnc16.c16ccco1.C3C(N)=O.S35 |
27932 | Cc1ccc2cc(-c3nnc(-c4ccco4)o3)c3nnnn3c2c1 | [C][C][=C][C][=C][C][=C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][C][=N][N][=N][N][Ring1][Branch1][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | Cc1ccc2cc6c3nnnn3c2c1.c16nnc5o1.c15ccco1 |
27934 | CN(C)c1ccc(-c2nnc(-c3cccnc3)o2)cc1 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P] | c14ccc5cc1.c15nnc6o1.c16cccnc1.CN4C |
27935 | CCOc1ccc(-c2nnc(-c3ccco3)o2)cc1OCC | [C][C][O][C][=C][C][=C][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2][C][=C][Ring1][S][O][C][C] | c16ccc9cc17.c19nnc8o1.c18ccco1.CC4.O46.O57.C5C |
27936 | Cc1ccc2nc(SCC(=O)Nc3nccs3)c(C#N)cc2c1 | [C][C][=C][C][=C][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][Branch1][Ring1][C][#N][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc2nc7c(C#N)cc2c1.c16nccs1.C5C4=O.S57.N46 |
27937 | Cc1ccc2nc(SCC(=O)N3CCCCC3)c(C#N)cc2c1 | [C][C][=C][C][=C][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][Ring1][C][#N][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc2nc6c(C#N)cc2c1.N14CCCCC1.C5C4=O.S56 |
27938 | Cc1ccc2nc(SCC(=O)N3CCCC(C)C3)c(C#N)cc2c1 | [C][C][=C][C][=C][N][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][Branch1][Ring1][C][#N][=C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | Cc1ccc2nc6c(C#N)cc2c1.N14CCCC(C)C1.C5C4=O.S56 |
27939 | Cc1ccc2nc(SCC(=O)N3CCOCC3)c(C#N)cc2c1 | [C][C][=C][C][=C][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][Ring1][C][#N][=C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc2nc6c(C#N)cc2c1.N14CCOCC1.C5C4=O.S56 |
27940 | Cc1ccc2nc(SCC(=O)N3CCCC3)c(C#N)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][Ring1][C][#N][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | Cc1ccc2nc6c(C#N)cc2c1.N14CCCC1.C5C4=O.S56 |
27942 | CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(N)=O | [C][C][N][C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][S][C][C][Branch1][C][N][=O] | n16c7nnc18.c15ccc(Cl)cc1.C4C(N)=O.CC6.C37.N35.S48 |
27943 | Cn1c(CNc2ccc(Cl)cc2)nnc1SCC(N)=O | [C][N][C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][S][C][C][Branch1][C][N][=O] | Cn1c6nnc17.c15ccc(Cl)cc1.C4C(N)=O.C36.N35.S47 |
27944 | COC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1C | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][=C][C] | c18nnc7n1C.c16ccc(Cl)cc1.C3(=O)C5.CO3.S58.C47.N46 |
27945 | COc1ccccc1-c1nnc(SCC(N)=O)n1-c1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c12ccccc16.c16nnc5n14.c14ccccc1.C3C(N)=O.CO2.S35 |
27946 | Cc1ccc2cc(C#N)c(SCC(=O)Nc3nccs3)nc2c1 | [C][C][=C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc2cc(C#N)c7nc2c1.c16nccs1.C5C4=O.S57.N46 |
27947 | Cc1ccc2cc(C#N)c(SCC(=O)NCc3ccccc3)nc2c1 | [C][C][=C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] | Cc1ccc2cc(C#N)c8nc2c1.c17ccccc1.C6C4=O.S68.N45.C57 |
27948 | Cc1ccc2cc(C#N)c(SCC(=O)NCc3ccco3)nc2c1 | [C][C][=C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | Cc1ccc2cc(C#N)c8nc2c1.c17ccco1.C6C4=O.S68.N45.C57 |
27949 | Cc1ccc2cc(C#N)c(SCC(=O)N3CCCCC3)nc2c1 | [C][C][=C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc2cc(C#N)c6nc2c1.N14CCCCC1.C5C4=O.S56 |
27950 | Cc1ccc2cc(C#N)c(SCC(=O)N3CCOCC3)nc2c1 | [C][C][=C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc2cc(C#N)c6nc2c1.N14CCOCC1.C5C4=O.S56 |
27951 | Cc1ccc2cc(C#N)c(SCC(=O)N3CCCC3)nc2c1 | [C][C][=C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][C][Ring1][P][=C][Ring2][Ring1][Branch1] | Cc1ccc2cc(C#N)c6nc2c1.N14CCCC1.C5C4=O.S56 |
27952 | Cc1ccc2cc(C#N)c(SCC(=O)N3CCC(C)CC3)nc2c1 | [C][C][=C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=N][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | Cc1ccc2cc(C#N)c6nc2c1.N14CCC(C)CC1.C5C4=O.S56 |
27953 | Cc1ccc2cc3c(N)c(C(=O)Nc4nccs4)sc3nc2c1 | [C][C][=C][C][=C][C][=C][C][Branch1][C][N][=C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][S][C][Ring1][=C][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc2cc3c(N)c7sc3nc2c1.c16nccs1.C57=O.N56 |
27956 | CCn1c(SCC(=O)OC)nnc1-c1ccccc1OC | [C][C][N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][O][C][=N][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | n15c6nnc17.c17ccccc13.C4C2=O.CC5.S46.O2C.O3C |
27957 | Cn1c(SCC(=O)Nc2ccccc2)nnc1C1CCCCC1 | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][S][C][C][C][C][C][C][Ring1][=Branch1] | Cn1c6nnc17.c15ccccc1.C17CCCCC1.C4C3=O.S46.N35 |
27958 | CCOC(=O)CSc1nnc(C2CCCCC2)n1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][Ring1][O][C] | c16nnc7n1C.C17CCCCC1.C3(=O)C5.CC4.O34.S56 |
27959 | CCn1c(SCC(=O)OC)nnc1C1CCCCC1 | [C][C][N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][O][C][=N][N][=C][Ring1][O][C][C][C][C][C][C][Ring1][=Branch1] | n14c5nnc16.C16CCCCC1.C3C2=O.CC4.S35.O2C |
27960 | CC(=O)c1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c17nc(N)cc(N)n1.c16ccc5cc1.C3(=O)C4.CC6=O.N35.S47 |
27961 | CC(=O)c1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][=C][Ring2][Ring1][Ring1] | c17nc(N)cc(N)n1.c16cccc5c1.C3(=O)C4.CC6=O.N35.S47 |
27963 | CC(Sc1nc(N)cc(N)n1)C(=O)Nc1ccccc1 | [C][C][Branch1][S][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nc(N)cc(N)n1.c14ccccc1.CC3C2=O.S35.N24 |
27965 | Cc1ccc(NC(=O)C(C)Sc2nc(N)cc(N)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | c16nc(N)cc(N)n1.Cc1ccc5cc1.C3(=O)C4C.N35.S46 |
27967 | Cn1c(SCC(N)=O)nnc1-c1ccc(O)cc1 | [C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | Cn1c3nnc14.c14ccc(O)cc1.C2C(N)=O.S23 |
27968 | Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(O)cc1 | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | Cn1c6nnc17.c17ccc(O)cc1.c15ccccc1.C4C3=O.S46.N35 |
27969 | CCOC(=O)CSc1nnc(-c2ccc(O)cc2)n1C | [C][C][O][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] | c16nnc7n1C.c17ccc(O)cc1.C3(=O)C5.CC4.O34.S56 |
27970 | CC(C)OC(=O)CSc1nnc(-c2ccc(O)cc2)n1C | [C][C][Branch1][C][C][O][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] | c16nnc7n1C.c17ccc(O)cc1.C3(=O)C5.CC4C.O34.S56 |
27971 | CCOC(=O)CSc1nnc(-c2ccccc2OC)n1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][Ring1][=N][C] | c17nnc8n1C.c18ccccc15.C3(=O)C6.CC4.O34.S67.O5C |
27972 | COC(=O)CSc1nnc(-c2ccccc2OC)n1C | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][Ring1][=N][C] | c16nnc7n1C.c17ccccc14.C3(=O)C5.CO3.S56.O4C |
27973 | COc1ccccc1-c1nnc(SCC(=O)OC(C)C)n1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][=N][S][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][N][Ring1][=N][C] | c14ccccc17.c17nnc6n1C.C5C2=O.C3(C)C.CO4.S56.O23 |
27974 | CCn1c(SCC(N)=O)nnc1-c1ccccc1OC | [C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | n14c5nnc16.c16ccccc12.C3C(N)=O.CC4.S35.O2C |
27975 | O=C(CSc1nnc(Cc2ccccc2)o1)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][N][N][C][C][O][C][C][Ring1][=Branch1] | c17nnc5o1.c16ccccc1.N13CCOCC1.O=C3C4.S47.C56 |
27976 | NC(=O)CSc1nnc(-c2ccccc2Br)o1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][O][Ring1][N] | c15ccccc1Br.c14nnc5o1.NC(=O)C3.S34 |
27977 | CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCOCC1 | [C][C][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][N][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | n15c6nnc18.c17ccccc1.N13CCOCC1.C4C3=O.CC5.C67.S48 |
27978 | Cn1c(COc2ccc3ccccc3c2)nnc1SCC(N)=O | [C][N][C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][N][=C][Ring1][P][S][C][C][Branch1][C][N][=O] | c15ccc2ccccc2c1.Cn1c7nnc18.C6C(N)=O.C47.O45.S68 |
27979 | NC(=O)CSc1nnc(CNc2cccc(Cl)c2)o1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=C][C][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][Ring1][=C] | c15cccc(Cl)c1.c17nnc6o1.NC(=O)C4.S47.C36.N35 |
27980 | CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccncc1 | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=C][C][=N][C][=C][Ring1][=Branch1] | n15c6nnc17.N13CCCCC1.c17ccncc1.C4C3=O.CC5.S46 |
27981 | CCn1c(CNc2ccc(C)cc2)nnc1SCC(N)=O | [C][C][N][C][Branch1][=C][C][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][S][C][C][Branch1][C][N][=O] | n16c7nnc18.c15ccc(C)cc1.C4C(N)=O.CC6.C37.N35.S48 |
27982 | Fc1ccc2[nH]c3nc(SCc4ccccc4)nnc3c2c1 | [F][C][=C][C][=C][NH1][C][=N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | Fc1ccc2[nH]c3nc7nnc3c2c1.c16ccccc1.S57.C56 |
27983 | Nc1cc(N)nc(SCc2ccc(Cl)cc2)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][S] | Nc1cc(N)nc5n1.c14ccc(Cl)cc1.S35.C34 |
27984 | Nc1cc(N)nc(SCc2c(F)cccc2Cl)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch1][#C][S][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][=N][Ring1][P] | Nc1cc(N)nc5n1.c14c(F)cccc1Cl.S35.C34 |
27985 | Cc1ccccc1NC(=O)CSc1nc(N)cc(N)n1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][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.Cc1ccccc14.C2(=O)C3.N24.S35 |
27987 | Nc1cc(N)nc(SCC(=O)Nc2ccc(F)cc2)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | Nc1cc(N)nc6n1.c15ccc(F)cc1.C4C3=O.S46.N35 |
27988 | CCOc1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c18nc(N)cc(N)n1.c15ccc7cc1.C3(=O)C6.CC4.O45.N37.S68 |
27989 | COc1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c17nc(N)cc(N)n1.c14ccc6cc1.C3(=O)C5.CO4.N36.S57 |
27991 | NC(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 | [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][=C][C][=C][C][=C][Ring1][=Branch1] | c18nnc6n17.c14ccccc1.c17ccccc1.NC(=O)C5.S58.C36.O34 |
27992 | Nc1cc(N)nc(SCC(=O)Nc2ccccc2Cl)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][Ring1] | Nc1cc(N)nc6n1.c15ccccc1Cl.C4C3=O.S46.N35 |
27993 | CCOC(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][O] | c16nnc2c(n1)[nH]c1ccc(F)cc12.C3(=O)C5.CC4.O34.S56 |
27994 | COC(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][O] | c15nnc2c(n1)[nH]c1ccc(F)cc12.C3(=O)C4.CO3.S45 |
27995 | O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)c1ccccc1 | [O][=C][Branch2][Ring1][O][C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nnc2c(n1)[nH]c1ccc(F)cc12.c14ccccc1.O=C4C3.S35 |
27997 | Cc1nnc(SCC(=O)N2CCCCC2)n1-c1ccccc1 | [C][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][=C][C][=C][Ring1][=Branch1] | Cc1nnc6n15.N13CCCCC1.c15ccccc1.C4C3=O.S46 |
27998 | Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1-c1ccccc1 | [C][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nnc7n16.c15ccc(F)cc1.c16ccccc1.C4C3=O.S47.N35 |
27999 | Cc1cnc(NC(=O)CSc2nnc(C)n2-c2ccccc2)s1 | [C][C][=C][N][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][=Branch1] | c17nnc(C)n16.Cc1cnc5s1.c16ccccc1.C3(=O)C4.N35.S47 |
28000 | Cc1nnc(SCC(=O)c2ccccc2)n1-c1ccccc1 | [C][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nnc6n15.c14ccccc1.c15ccccc1.C3C4=O.S36 |
28001 | COc1ccc(C(=O)CSc2nnc(C)n2-c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c13ccc5cc1.c17nnc(C)n16.c16ccccc1.C5(=O)C4.CO3.S47 |
28002 | CCn1c(SCC(N)=O)nnc1-c1ccncc1 | [C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1] | n13c4nnc15.c15ccncc1.C2C(N)=O.CC3.S24 |
28003 | COc1ccccc1-n1nnnc1SCC(N)=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][C][Branch1][C][N][=O] | c12ccccc14.n14nnnc15.C3C(N)=O.CO2.S35 |
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