ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
25910 | Cn1c(SCC(=O)NCc2cccs2)nnc1C1CC1 | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][=N][N][=C][Ring1][S][C][C][C][Ring1][Ring1] | Cn1c7nnc18.c16cccs1.C5C3=O.C18CC1.S57.N34.C46 |
25912 | Cc1cc(NC(=O)CSc2nnc(C3CC3)n2C)no1 | [C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][=N][O][Ring2][Ring1][Ring1] | c17nnc8n1C.Cc1cc6no1.C4(=O)C5.C18CC1.N46.S57 |
25913 | Cc1ccc(C)c(C(=O)CSc2nnc(C3CC3)n2C)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(C)c5c1.c16nnc7n1C.C5(=O)C4.C17CC1.S46 |
25914 | CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1C1CC1 | [C][C][N][C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2][=N][N][=C][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1] | n17c8nnc19.c15cccc6c1.C4C3=O.C6(C)=O.C19CC1.CC7.S48.N35 |
25915 | CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1C1CC1 | [C][C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][C][C][Ring1][Ring1] | n16c7nnc18.c15cccc(F)c1.C4C3=O.C18CC1.CC6.S47.N35 |
25916 | CCn1c(SCC(=O)c2ccc(C)c(C)c2)nnc1C1CC1 | [C][C][N][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=N][N][=C][Ring1][P][C][C][C][Ring1][Ring1] | c14ccc(C)c(C)c1.n15c6nnc17.C3C4=O.C17CC1.CC5.S36 |
25917 | NC(=O)CSc1nnc2c(n1)-c1cccc3cccc-2c13 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c15nnc2c(n1)-c1cccc3cccc-2c13.NC(=O)C4.S45 |
25918 | CCCn1c(SCC(=O)Nc2cccc(F)c2)nnc1C(C)C | [C][C][C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][Branch1][C][C][C] | n16c7nnc18.c15cccc(F)c1.C4C3=O.CCC6.C7(C)C.S48.N35 |
25919 | CCCn1c(SCC(=O)Nc2ccccc2F)nnc1C(C)C | [C][C][C][N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][=C][Ring1][P][C][Branch1][C][C][C] | n16c7nnc18.c15ccccc1F.C4C3=O.CCC6.C7(C)C.S48.N35 |
25920 | CCCn1c(SCC(=O)Nc2cccc(C)n2)nnc1C(C)C | [C][C][C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=N][N][=C][Ring1][P][C][Branch1][C][C][C] | n16c7nnc18.c15cccc(C)n1.C4C3=O.CCC6.C7(C)C.S48.N35 |
25921 | CCCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccco1 | [C][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][=C][O][Ring1][Branch1] | n15c6nnc17.N13CCCCC1.c17ccco1.C4C3=O.CCC5.S46 |
25923 | CC(C)(C)NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c18nnc9n16.c17ccccc1.CC4(C)C.C3(=O)C5.C19CC1.N34.S58.C67 |
25924 | Cn1c(SCc2ccc(Cl)cc2)nnc1C1CC1 | [C][N][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][C][C][C][Ring1][Ring1] | Cn1c5nnc16.c14ccc(Cl)cc1.C16CC1.S35.C34 |
25925 | COc1ccc(OC)c(C(=O)CSc2nnc(C3CC3)n2C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | c14ccc5c7c1.c18nnc9n1C.C7(=O)C6.C19CC1.CO4.O5C.S68 |
25926 | Cn1c(SCC(=O)c2ccc(F)cc2)nnc1C1CC1 | [C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][S][C][C][C][Ring1][Ring1] | Cn1c5nnc16.c14ccc(F)cc1.C3C4=O.C16CC1.S35 |
25927 | Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1C1CC1 | [C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][S][C][C][C][Ring1][Ring1] | Cn1c5nnc16.c14ccc(Cl)cc1.C3C4=O.C16CC1.S35 |
25928 | Cn1c(SCC(=O)Nc2ccccc2Cl)nnc1C1CC1 | [C][N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][N][=C][Ring1][P][C][C][C][Ring1][Ring1] | Cn1c6nnc17.c15ccccc1Cl.C4C3=O.C17CC1.S46.N35 |
25929 | CCOc1ccccc1NC(=O)CSc1nnc(C2CC2)n1C | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C] | c15ccccc17.c18nnc9n1C.C3(=O)C6.C19CC1.CC4.O45.N37.S68 |
25930 | CCn1c(SCC(=O)c2ccc(C)cc2)nnc1C1CC1 | [C][C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][S][C][C][C][Ring1][Ring1] | n15c6nnc17.c14ccc(C)cc1.C3C4=O.C17CC1.CC5.S36 |
25931 | CCn1c(SCC(=O)N2c3ccccc3CC2C)nnc1C1CC1 | [C][C][N][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][=N][N][=C][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1] | N14c2ccccc2CC1C.n16c7nnc18.C5C4=O.C18CC1.CC6.S57 |
25932 | CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1C1CC1 | [C][C][N][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][N][=C][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1] | N14CCc2ccccc2C1.n16c7nnc18.C5C4=O.C18CC1.CC6.S57 |
25933 | CCn1c(SCC(=O)c2ccc(F)cc2)nnc1C1CC1 | [C][C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][S][C][C][C][Ring1][Ring1] | n15c6nnc17.c14ccc(F)cc1.C3C4=O.C17CC1.CC5.S36 |
25934 | CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1C1CC1 | [C][C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][N][=C][Ring1][P][C][C][C][Ring1][Ring1] | n16c7nnc18.c15ccc3cc1.C4C5=O.C18CC1.CC6.S47.O3C |
25935 | CCn1c(SCC(=O)Nc2ccccc2C)nnc1C1CC1 | [C][C][N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Ring1][P][C][C][C][Ring1][Ring1] | n16c7nnc18.c15ccccc1C.C4C3=O.C18CC1.CC6.S47.N35 |
25936 | CCc1ccc(NC(=O)CSc2nnc(C3CC3)n2CC)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][C][C][=C][Ring2][Ring1][Branch1] | c18ccc6cc1.c19nnc%10n17.C4(=O)C5.C1%10CC1.CC8.N46.S59.C7C |
25937 | CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1C1CC1 | [C][C][N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=N][N][=C][Ring2][Ring1][C][C][C][C][Ring1][Ring1] | c15c(C)cccc1C.n16c7nnc18.C4C3=O.C18CC1.CC6.S47.N35 |
25938 | CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1C1CC1 | [C][C][N][C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=N][N][=C][Ring2][Ring1][C][C][C][C][Ring1][Ring1] | c15ccc(C)c(C)c1.n16c7nnc18.C4C3=O.C18CC1.CC6.S47.N35 |
25939 | CCc1cccc(C)c1NC(=O)CSc1nnc(C2CC2)n1CC | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Ring1][Branch2][C][C] | c17cccc(C)c15.c18nnc9n16.C3(=O)C4.C19CC1.CC7.N35.S48.C6C |
25940 | CCn1c(SCC(=O)NCc2ccccc2)nnc1C1CC1 | [C][C][N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][P][C][C][C][Ring1][Ring1] | n16c8nnc19.c17ccccc1.C5C3=O.C19CC1.CC6.S58.N34.C47 |
25941 | Nc1ccc2nc(C3CC3)n(Cc3ccccc3)c(=O)c2c1 | [N][C][=C][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][P][=C][Ring2][Ring1][Branch1] | Nc1ccc2nc6n4c(=O)c2c1.c15ccccc1.C16CC1.C45 |
25943 | CC(C)c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring1][P][C] | c16nnc7n1C.c15ccc(Cl)cc1.C4C3=O.CC6C.S47.N35 |
25945 | Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C(C)C)n1C | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C] | Cc1ccc(Cl)cc14.c16nnc5n1C.C2(=O)C3.C5(C)C.N24.S36 |
25946 | Cc1c(Cl)cccc1NC(=O)CSc1nnc(C(C)C)n1C | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C] | Cc1c4cccc1Cl.c16nnc5n1C.C2(=O)C3.C5(C)C.N24.S36 |
25947 | CCn1c(SCC(=O)c2ccccc2)nnc1C(C)C | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][Branch1][C][C][C] | n15c6nnc17.c14ccccc1.C3C4=O.C6(C)C.CC5.S37 |
25948 | CCn1c(SCC(=O)NCc2ccccc2)nnc1C(C)C | [C][C][N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][P][C][Branch1][C][C][C] | n16c7nnc19.c18ccccc1.C5C3=O.C7(C)C.CC6.S59.N34.C48 |
25949 | CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1C(C)C | [C][C][N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][N][=C][Ring2][Ring1][C][C][Branch1][C][C][C] | n17c8nnc19.c16cccc4c1.C5C3=O.C8(C)C.CC7.S59.N36.O4C |
25950 | CCn1c(SCC(=O)NC2CCCC2)nnc1C(C)C | [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][Branch1][C][C][C] | n16c7nnc18.C15CCCC1.C4C3=O.C7(C)C.CC6.S48.N35 |
25952 | CCn1c(SCC(=O)Nc2ccccc2F)nnc1C(C)C | [C][C][N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][=C][Ring1][P][C][Branch1][C][C][C] | n16c7nnc18.c15ccccc1F.C4C3=O.C7(C)C.CC6.S48.N35 |
25953 | CCn1c(SCC(=O)Nc2cccc(C)n2)nnc1C(C)C | [C][C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=N][N][=C][Ring1][P][C][Branch1][C][C][C] | n16c7nnc18.c15cccc(C)n1.C4C3=O.C7(C)C.CC6.S48.N35 |
25954 | CCCn1c(SCC(=O)N2CCCCC2)nnc1C(C)C | [C][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][Branch1][C][C][C] | n15c6nnc17.N13CCCCC1.C4C3=O.CCC5.C6(C)C.S47 |
25955 | CCCn1c(SCC(=O)NC(C)(C)C)nnc1C(C)C | [C][C][C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Ring1][=C][C][Branch1][C][C][C] | n15c6nnc17.C4C2=O.C3(C)(C)C.CCC5.C6(C)C.S47.N23 |
25956 | CCCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1C(C)C | [C][C][C][N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=N][N][=C][Ring2][Ring1][C][C][Branch1][C][C][C] | c15c(C)cccc1C.n16c7nnc18.C4C3=O.CCC6.C7(C)C.S48.N35 |
25957 | CCCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1C(C)C | [C][C][C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][Branch1][C][C][C] | n16c7nnc18.c15ccc(F)cc1.C4C3=O.CCC6.C7(C)C.S48.N35 |
25958 | CCCn1c(SCC(=O)N2CCCC2)nnc1C(C)C | [C][C][C][N][C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][N][=C][Ring1][=C][C][Branch1][C][C][C] | n15c6nnc17.N13CCCC1.C4C3=O.CCC5.C6(C)C.S47 |
25959 | CCCn1c(SCC(=O)NC2CCCC2)nnc1C(C)C | [C][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][Branch1][C][C][C] | n16c7nnc18.C15CCCC1.C4C3=O.CCC6.C7(C)C.S48.N35 |
25960 | COc1ccc(-n2c(SCC(N)=O)nnc2-c2ccoc2C)cc1 | [C][O][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][O][C][=Ring1][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | c13ccc5cc1.n15c6nnc17.c17ccoc1C.C4C(N)=O.CO3.S46 |
25961 | CCN(CC)C(=O)CSc1nnc(-c2ccoc2C)n1CC | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][C][=C][O][C][=Ring1][Branch1][C][N][Ring1][O][C][C] | c18nnc9n17.c19ccoc1C.C3(=O)C6.N345.CC4.C5C.S68.C7C |
25962 | Cc1occc1-c1nnc(SCC(=O)NC(C)(C)C)n1C | [C][C][O][C][=C][C][=Ring1][Branch1][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][=C][C] | c16nnc5n1C.Cc1occc16.C4C2=O.C3(C)(C)C.S45.N23 |
25963 | CCCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccoc1C | [C][C][C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Ring1][=C][C][C][=C][O][C][=Ring1][Branch1][C] | n15c6nnc17.c17ccoc1C.C4C2=O.C3(C)(C)C.CCC5.S46.N23 |
25965 | Cc1occc1-c1nnc(SCC(=O)c2ccccc2)n1C | [C][C][O][C][=C][C][=Ring1][Branch1][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#C][C] | c16nnc5n1C.Cc1occc16.c14ccccc1.C3C4=O.S35 |
25966 | CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccoc1C | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][C][=C][O][C][=Ring1][Branch1][C] | n15c6nnc17.c14ccccc1.c17ccoc1C.C3C4=O.CC5.S36 |
25967 | COc1ccc(C(=O)CSc2nnc(-c3ccoc3C)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][C][=C][O][C][=Ring1][Branch1][C][N][Ring1][O][C][C][=C][Ring2][Ring1][=Branch1] | c14ccc6cc1.c17nnc8n1C.c18ccoc1C.C6(=O)C5.CO4.S57 |
25968 | CCc1ccc(-n2c(SCC(N)=O)nnc2-c2ccoc2C)cc1 | [C][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][O][C][=Ring1][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | c14ccc5cc1.n15c6nnc17.c17ccoc1C.C3C(N)=O.CC4.S36 |
25969 | CCn1nnnc1SCC(=O)N1CCc2ccccc21 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCc2ccccc21.n15nnnc16.C4C3=O.CC5.S46 |
25970 | CCn1nnnc1SCC(=O)N1c2ccccc2CC1C | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][C] | N13c2ccccc2CC1C.n15nnnc16.C4C3=O.CC5.S46 |
25971 | CCn1nnnc1SCC(=O)N1CCCc2ccccc21 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N13CCCc2ccccc21.n15nnnc16.C4C3=O.CC5.S46 |
25972 | CCn1nnnc1SCC(=O)Nc1cccc(OC)c1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] | c15cccc3c1.n16nnnc17.C4C2=O.CC6.S47.N25.O3C |
25973 | CCn1nnnc1SCC(=O)Nc1cc(C)ccc1OC | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C] | c15cc(C)ccc13.n16nnnc17.C4C2=O.CC6.S47.N25.O3C |
25974 | CCn1nnnc1SCC(=O)Nc1cc(OC)cc(OC)c1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c16cc3cc4c1.n17nnnc18.C5C2=O.CC7.S58.N26.O3C.O4C |
25975 | CCn1nnnc1SCC(=O)Nc1cccc(F)c1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c14cccc(F)c1.n15nnnc16.C3C2=O.CC5.S36.N24 |
25976 | CCn1nnnc1SCC(=O)Nc1ccccc1F | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14ccccc1F.n15nnnc16.C3C2=O.CC5.S36.N24 |
25977 | CCn1nnnc1SCC(=O)Nc1cc(C)on1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | n15nnnc16.c14cc(C)on1.C3C2=O.CC5.S36.N24 |
25978 | CCn1nnnc1SCC(=O)Nc1nc2ccccc2s1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c15nc2ccccc2s1.n16nnnc17.C4C3=O.CC6.S47.N35 |
25979 | CCn1nnnc1SCC(=O)N1CCc2ccccc2C1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.n15nnnc16.C4C3=O.CC5.S46 |
25980 | CCn1nnnc1SCC(=O)Nc1cccc(C(C)=O)c1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2] | c14cccc5c1.n16nnnc17.C3C2=O.C5(C)=O.CC6.S37.N24 |
25981 | CCn1nnnc1SCC(=O)c1ccc(NC(C)=O)cc1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c15ccc4cc1.n16nnnc17.C3C5=O.C2(C)=O.CC6.S37.N24 |
25982 | CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | S5(=O)(=O)c1ccccc1.C16CCN5CC1.CC(C)CC4.C36=O.N34 |
25983 | CCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 | [C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | S5(=O)(=O)c1ccccc1.C16CCN5CC1.CCC4(C)C.C36=O.N34 |
25984 | CCn1c(SCC(N)=O)nnc1-c1ccoc1C | [C][C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][C][=C][O][C][=Ring1][Branch1][C] | n13c4nnc15.c15ccoc1C.C2C(N)=O.CC3.S24 |
25985 | Cc1occc1-c1nnc(SCC(N)=O)n1Cc1ccco1 | [C][C][O][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][O][Ring1][Branch1] | c16nnc5n13.Cc1occc16.c14ccco1.C2C(N)=O.S25.C34 |
25986 | Cc1cccc(-n2c(SCC(N)=O)nnc2-c2ccoc2C)c1C | [C][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][O][C][=Ring1][Branch1][C][=C][Ring2][Ring1][=Branch1][C] | Cc1cccc4c1C.n14c5nnc16.c16ccoc1C.C3C(N)=O.S35 |
25987 | COc1cccc(-n2c(SCC(N)=O)nnc2-c2ccccc2)c1 | [C][O][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][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | c13cccc5c1.n15c6nnc17.c17ccccc1.C4C(N)=O.CO3.S46 |
25988 | COc1cccc(-n2c(SCC(N)=O)nnc2-c2ccco2)c1 | [C][O][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][Ring2][Ring1][Branch1] | c13cccc5c1.n15c6nnc17.c17ccco1.C4C(N)=O.CO3.S46 |
25989 | CNC(=O)CSc1nnc(-c2ccco2)n1-c1cccc(OC)c1 | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] | c17nnc8n16.c16cccc4c1.c18ccco1.C3(=O)C5.CN3.S57.O4C |
25990 | COc1cccc(-n2c(SCC(N)=O)nnc2-c2ccncc2)c1 | [C][O][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][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | c13cccc5c1.n15c6nnc17.c17ccncc1.C4C(N)=O.CO3.S46 |
25991 | CC(=O)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O | [C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][NH1][C][Ring1][N][=O] | c17cc2cc(C)cc(C)c2[nH]c1=O.c16ccco1.CC3=O.N345.C46.C57 |
25992 | CC(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)CC1CCCO1 | [C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][NH1][C][Ring1][N][=O][C][C][C][C][C][O][Ring1][Branch1] | c17cc2c(C)cc(C)cc2[nH]c1=O.C16CCCO1.CC3=O.N345.C47.C56 |
25993 | CCC(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)CC1CCCO1 | [C][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][NH1][C][Ring1][N][=O][C][C][C][C][C][O][Ring1][Branch1] | c17cc2c(C)cc(C)cc2[nH]c1=O.C16CCCO1.CCC3=O.N345.C47.C56 |
25994 | CC(C)(C)NC(=O)CSc1nnnn1-c1cccc(F)c1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15cccc(F)c1.c16nnnn15.CC3(C)C.C2(=O)C4.N23.S46 |
25995 | CCN(CC)C(=O)CSc1nc(C)nc2sc(C)c(C)c12 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][N][=Ring1][#Branch1] | c17nc(C)nc2sc(C)c(C)c12.C3(=O)C6.N345.CC4.C5C.S67 |
25996 | Cc1nc(SCC(=O)NC2CCCC2)c2c(C)c(C)sc2n1 | [C][C][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=N][Ring2][Ring1][Branch1] | Cc1nc6c2c(C)c(C)sc2n1.C15CCCC1.C4C3=O.S46.N35 |
25997 | CCn1c(SCC(=O)N2CCCC2)nnc1C(C)C | [C][C][N][C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][N][=C][Ring1][=C][C][Branch1][C][C][C] | n15c6nnc17.N13CCCC1.C4C3=O.C6(C)C.CC5.S47 |
25998 | CCn1c(SCC(=O)N2CCCCC2)nnc1C(C)C | [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][Branch1][C][C][C] | n15c6nnc17.N13CCCCC1.C4C3=O.C6(C)C.CC5.S47 |
26000 | CC(C)c1nnc(SCC(=O)Nc2cccc3ccccc23)n1C | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][Ring2][Ring1][Ring2][C] | c16cccc2ccccc12.c17nnc8n1C.C5C4=O.CC7C.S58.N46 |
26001 | CCc1nnc(NC(=O)CSc2nnc(C(C)C)n2CC)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][C][S][Ring2][Ring1][Ring2] | c19nnc8n16.c17nnc5s1.C3(=O)C4.C8(C)C.CC7.N35.S49.C6C |
26002 | O=C(Nc1nnc(-c2ccc(F)cc2)s1)C1CC1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][N][C][C][C][Ring1][Ring1] | c16ccc(F)cc1.c14nnc6s1.O=C35.C15CC1.N34 |
26003 | COCC(=O)Nc1nnc(Cc2ccccc2)s1 | [C][O][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][N] | c15nnc6s1.c17ccccc1.C4C3=O.CO4.N35.C67 |
26004 | COC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 | [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][=C][C][=C][C][=C][Ring1][=Branch1] | c17nnc8n15.c18cccnc1.c16ccccc1.C3(=O)C4.CO3.S47.C56 |
26005 | CCOc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccco1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][O][Ring1][Branch1] | c13ccccc15.n15c6nnc17.c17ccco1.C4C(N)=O.CC2.O23.S46 |
26006 | COc1ccc(-n2c(SCC(N)=O)nnc2-c2ccco2)cc1 | [C][O][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] | c13ccc5cc1.n15c6nnc17.c17ccco1.C4C(N)=O.CO3.S46 |
26007 | CNC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nnc8n15.c16ccccc1.c18ccco1.C3(=O)C4.CN3.S47.C56 |
26008 | CNC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1OC | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c17nnc8n16.c16ccccc14.c18ccco1.C3(=O)C5.CN3.S57.O4C |
26009 | O=C(CSc1nnc(COc2ccccc2)o1)c1ccccc1F | [O][=C][Branch2][Ring1][=Branch1][C][S][C][=N][N][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16ccccc1F.c18nnc7o1.c14ccccc1.O=C6C5.S58.C37.O34 |
26010 | Cc1ccc2c(c1)cc(C)c1nnc(SCC(N)=O)n12 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch1][C][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][Ring1][S] | Cc1ccc2c(c1)cc(C)c1nnc4n12.C3C(N)=O.S34 |
26011 | Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3CCCC3)n12 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch1][C][C][C][=N][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][Ring1][=C][Ring2][Ring1][Ring2] | Cc1ccc2c(c1)cc(C)c1nnc6n12.N14CCCC1.C5C4=O.S56 |
26012 | Cc1cccc(-n2c(SCC(N)=O)nnc2-c2ccco2)c1 | [C][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][Ring2][Ring1][Branch1] | Cc1cccc4c1.n14c5nnc16.c16ccco1.C3C(N)=O.S35 |
26013 | Cc1ccc(C)c(-n2c(SCC(N)=O)nnc2-c2ccco2)c1 | [C][C][=C][C][=C][Branch1][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][Ring2][Ring1][=Branch1] | Cc1ccc(C)c4c1.n14c5nnc16.c16ccco1.C3C(N)=O.S35 |
26014 | CCc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccco1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][O][Ring1][Branch1] | c13ccccc14.n14c5nnc16.c16ccco1.C2C(N)=O.CC3.S25 |
26015 | CNC(=O)CSc1nnc(-c2ccco2)n1-c1cccc(C)c1C | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C] | c15cccc(C)c1C.c16nnc7n15.c17ccco1.C3(=O)C4.CN3.S46 |
26016 | CNC(=O)CSc1nnc(-c2ccco2)n1-c1cc(C)ccc1C | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C] | c15cc(C)ccc1C.c16nnc7n15.c17ccco1.C3(=O)C4.CN3.S46 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.