ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
23024 | Cn1ncc(Cl)c1C(=O)Nc1ccn(Cc2ccccc2)n1 | [C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][N] | Cn1ncc(Cl)c15.c14ccn6n1.c17ccccc1.C35=O.N34.C67 |
23025 | Cc1cccc(C(=O)NC(C)c2ccc3c(c2)OCO3)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c17ccc2c(c1)OCO2.Cc1cccc6c1.C46=O.C57C.N45 |
23026 | Cn1ncc(Cl)c1C(=O)NCc1cc2ccccc2[nH]1 | [C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c16cc2ccccc2[nH]1.Cn1ncc(Cl)c15.C35=O.N34.C46 |
23027 | Cc1ccccc1C(=O)NC(C)c1ccc2c(c1)OCO2 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.Cc1ccccc15.C35=O.C46C.N34 |
23028 | CCNc1nc(NC(C)C)nc(Nn2cnnc2)n1 | [C][C][N][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][=Branch2][N][N][C][=N][N][=C][Ring1][Branch1][=N][Ring1][S] | c15nc6nc(Nn2cnnc2)n1.C4(C)C.CC3.N35.N46 |
23029 | CC(=O)n1c(=O)oc2cc(Br)ccc21 | [C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Ring1][O] | CC(=O)n1c(=O)oc2cc(Br)ccc21 |
23030 | CCc1c(C)sc2nc(C)n(-c3ccc(OC)cc3)c(=O)c12 | [C][C][C][=C][Branch1][C][C][S][C][N][=C][Branch1][C][C][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring2][Ring1][Ring2][=Ring1][S] | c15c(C)sc2nc(C)n6c(=O)c12.c16ccc4cc1.CC5.O4C |
23032 | Cc1cccc(C)c1NC(=O)c1ccc(OC(F)F)cc1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2] | Cc1cccc(C)c14.c15ccc3cc1.O3C(F)F.C25=O.N24 |
23033 | CC(NC(=O)Cc1cccs1)c1ccc2c(c1)OCO2 | [C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c15cccs1.C3(=O)C5.CC46.N34 |
23034 | Cn1ncc(Cl)c1C(=O)NCc1cc2cc(Cl)ccc2[nH]1 | [C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2] | c16cc2cc(Cl)ccc2[nH]1.Cn1ncc(Cl)c15.C35=O.N34.C46 |
23035 | COc1cc(NC(=O)Cn2cnnn2)cc(-n2cnnn2)c1 | [C][O][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][N][C][=N][N][=N][Ring1][Branch1][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring2][Ring1][Ring2] | c14cc5cc7c1.n16cnnn1.n17cnnn1.C3(=O)C6.CO4.N35 |
23036 | Cc1nn(C)cc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1] | Cc1nn(C)cc13.n14nc5cc16.C2(=O)C4.C5(F)(F)F.C16CC1.N23 |
23037 | CCn1cc(Cl)c(C(=O)Nc2ccc(Cn3cccn3)cc2)n1 | [C][C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][N][=N][Ring2][Ring1][Branch1] | n17cc(Cl)c6n1.c15ccc9cc1.n18cccn1.C46=O.CC7.N45.C89 |
23038 | Cc1ccsc1C(=O)NC(C)c1ccc2c(c1)OCO2 | [C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.Cc1ccsc15.C35=O.C46C.N34 |
23039 | CCn1cc(CNC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cn1 | [C][C][N][C][=C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1][C][=N][Ring2][Ring1][=Branch1] | n16nc7cc19.n15cc8cn1.C3(=O)C6.C7(F)(F)F.C19CC1.CC5.C48.N34 |
23040 | Cc1ccc(C(=O)NC(C)c2ccc3c(c2)OCO3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c17ccc2c(c1)OCO2.Cc1ccc6cc1.C46=O.C57C.N45 |
23041 | Cc1ccc(C(=O)NC(C)c2ccc3c(c2)OCO3)s1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][S][Ring2][Ring1][Ring1] | c17ccc2c(c1)OCO2.Cc1ccc6s1.C46=O.C57C.N45 |
23042 | Cc1cccc(C)c1NC(=O)c1cccc(OC(F)F)c1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2] | Cc1cccc(C)c14.c15cccc3c1.O3C(F)F.C25=O.N24 |
23043 | CCOC(=O)c1cnn2c1NC(C)CC2C(F)F | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][C][=Ring1][Branch1][N][C][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][C][F][F] | c15cnn2c1NC(C)CC2C(F)F.C35=O.CC4.O34 |
23044 | COc1ccc(C)cc1NC(=O)c1ccc(OC(F)F)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][Branch1][Ring1][O][C][=C][Ring1][N] | c13ccc(C)cc16.c17ccc4c5c1.O4C(F)F.C27=O.CO3.N26.O5C |
23045 | COc1cc(C(=O)Nc2c(C)cccc2C)ccc1OC(F)F | [C][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=C][C][=C][Ring1][P][O][C][Branch1][C][F][F] | c14cc7ccc15.c16c(C)cccc1C.O5C(F)F.C37=O.CO4.N36 |
23046 | COC(=O)c1cc(C)sc1NC(=O)c1cccc(OC(F)F)c1 | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2] | c16cc(C)sc15.c17cccc4c1.O4C(F)F.C26=O.C37=O.CO2.N35 |
23048 | Cc1cc(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)no1 | [C][C][=C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][C][=C][N][=C][Branch1][=Branch1][C][Branch1][C][F][F][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][Ring1][N][N][=Ring1][#C][=N][O][Ring2][Ring1][#Branch1] | c16cc2nc7cc8n2n1.Cc1cc5no1.C46=O.C7(F)F.C8(F)F.N45 |
23049 | O=C(Nc1ccc2c(c1)OCCO2)c1cccc(OC(F)F)c1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring1][#Branch2] | c15ccc2c(c1)OCCO2.c16cccc4c1.O4C(F)F.O=C36.N35 |
23050 | Cc1ccccc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1] | Cc1ccccc13.n14nc5cc16.C2(=O)C4.C5(F)(F)F.C16CC1.N23 |
23051 | COc1cccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][=Branch1] | c14cccc5c1.n16nc7cc18.C3(=O)C6.C7(F)(F)F.C18CC1.CO4.N35 |
23052 | CCOC(=O)c1c(NC(=O)C2CCCO2)sc(C(C)=O)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][S][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][S][C] | c19c6sc8c1C.C17CCCO1.C39=O.C47=O.C8(C)=O.CC5.O35.N46 |
23053 | Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)o1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][O][Ring2][Ring1][Ring2] | N14CCN5CC1.c15ccc(F)cc1.Cc1ccc6o1.C46=O |
23054 | CCOc1nc(OCC)nc(N2CCOCC2)n1 | [C][C][O][C][=N][C][Branch1][Ring2][O][C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][#C] | c15nc6nc7n1.N17CCOCC1.CC3.O35.O46.C4C |
23055 | CCSc1nnc(NC(=O)Cc2ccc(Cl)cc2)s1 | [C][C][S][C][=N][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][S] | c16ccc(Cl)cc1.c17nnc5s1.C3(=O)C6.CC4.S47.N35 |
23056 | COC(=O)NCCC(c1ccccc1)c1ccccc1 | [C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccccc1.c16ccccc1.C4CC56.C23=O.CO2.N34 |
23057 | CCOc1ccccc1C(=O)Nc1sc(C)c(CC)c1C(N)=O | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][Ring1][C][C][C][=Ring1][Branch2][C][Branch1][C][N][=O] | c15sc(C)c8c17.c14ccccc16.C26=O.C7(N)=O.CC3.O34.N25.C8C |
23059 | O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccccc1F | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | O=S4(=O)c1ccccc1F.c15ccc2c(c1)OCO2.N34.C35 |
23062 | CC(=O)Nc1ccc(NC(=O)CSc2nnnn2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][Ring1][P] | c16ccc7cc1.c18nnnn1C.C4(=O)C5.CC3=O.N36.N47.S58 |
23063 | Cc1nnc(SCC(=O)Nc2cccc3ccccc23)s1 | [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][S][Ring2][Ring1][Ring2] | c16cccc2ccccc12.Cc1nnc7s1.C5C4=O.S57.N46 |
23064 | Cc1cccc(NC(=O)CSc2nnc(C)s2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring1][P] | Cc1cccc5c1.c16nnc(C)s1.C3(=O)C4.N35.S46 |
23065 | Cc1nnc(SCC(=O)Nc2c(C)cccc2C)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][S][Ring2][Ring1][C] | c15c(C)cccc1C.Cc1nnc6s1.C4C3=O.S46.N35 |
23066 | Cc1nnc(SCC(=O)Nc2cccc(C)c2C)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][S][Ring2][Ring1][C] | c15cccc(C)c1C.Cc1nnc6s1.C4C3=O.S46.N35 |
23068 | Cc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)s1 | [C][C][=N][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][S][Ring2][Ring1][C] | c15ccc(C)c(C)c1.Cc1nnc6s1.C4C3=O.S46.N35 |
23070 | COc1ccc(OC)c(NC(=O)CSc2nnc(C)s2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c14ccc5c7c1.c18nnc(C)s1.C3(=O)C6.CO4.O5C.N37.S68 |
23071 | Cc1nnc(SCC(=O)Nc2cccc(Cl)c2C)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][S][Ring2][Ring1][C] | c15cccc(Cl)c1C.Cc1nnc6s1.C4C3=O.S46.N35 |
23072 | Cc1nnc(SCC(=O)Nc2ccccc2F)s1 | [C][C][=N][N][=C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][P] | c15ccccc1F.Cc1nnc6s1.C4C3=O.S46.N35 |
23073 | Cc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)s1 | [C][C][=N][N][=C][Branch2][Ring1][Branch2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][S][Ring2][Ring1][Ring2] | c15ccccc16.Cc1nnc7s1.C4C3=O.C6(F)(F)F.S47.N35 |
23075 | COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CC2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][S] | c18ccc9c6c1.C38=O.C49=O.C57=O.C17CC1.CO3.O4C.N56 |
23076 | COc1ccc(CCC(=O)Nc2nnc(C)s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring1][P] | c14ccc6cc1.c15nnc(C)s1.C6CC3=O.CO4.N35 |
23077 | Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1 | [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 |
23078 | Cn1c(SCC(=O)NCc2ccco2)nnc1-c1ccccc1 | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c7nnc18.c18ccccc1.c16ccco1.C5C3=O.S57.N34.C46 |
23079 | COc1ccc(Cl)cc1NC(=O)c1ccc(C)o1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1] | c13ccc(Cl)cc14.c15ccc(C)o1.C25=O.CO3.N24 |
23080 | COC(=O)c1c(NC(=O)c2cccc(C)c2)sc(C)c1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][S][C][Branch1][C][C][=C][Ring1][S][C] | c16c5sc(C)c1C.c17cccc(C)c1.C36=O.C47=O.CO3.N45 |
23083 | CCOc1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][#N][C][=C][Ring2][Ring1][Branch1] | c18nc(C)cc(C)c1C#N.c15ccc7cc1.C3(=O)C6.CC4.O45.N37.S68 |
23084 | CCc1c(C)sc(NC(=O)C2CC2)c1C(=O)OC(C)C | [C][C][C][=C][Branch1][C][C][S][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][C] | c19c(C)sc6c18.C47=O.C17CC1.C38=O.C5(C)C.CC9.N46.O35 |
23086 | COC(=O)c1c(NC(=O)c2c(Cl)cnn2C)sc2c1CCC2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=N][N][Ring1][=Branch1][C][S][C][=C][Ring1][#C][C][C][C][Ring1][Branch1] | c17c5sc2c1CCC2.c16c(Cl)cnn1C.C37=O.C46=O.CO3.N45 |
23087 | O=C(NC1CCC(NC(=O)c2cnccn2)CC1)c1cnccn1 | [O][=C][Branch2][Ring1][=Branch2][N][C][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][#C][C][=C][N][=C][C][=N][Ring1][=Branch1] | C15CCC6CC1.c18cnccn1.c17cnccn1.O=C37.C48=O.N35.N46 |
23089 | O=C(Nc1ccc2c(c1)OCCO2)NC1CCCCC1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][N][C][C][C][C][C][C][Ring1][=Branch1] | c15ccc2c(c1)OCCO2.C16CCCCC1.O=C34.N35.N46 |
23090 | Cc1ccc(-c2cc(C(=O)NCC3CCCO3)c3ccccc3n2)o1 | [C][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1][O][Ring2][Ring1][Branch2] | c18cc6c2ccccc2n1.Cc1ccc8o1.C17CCCO1.C46=O.N45.C57 |
23091 | Cc1cc(C)c(OCC(=O)NCc2cccnc2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1cc(C)c5c(C)c1.c17cccnc1.C4C3=O.O45.N36.C67 |
23092 | Cc1cc(C)c(OCC(=O)NCc2ccncc2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1cc(C)c5c(C)c1.c17ccncc1.C4C3=O.O45.N36.C67 |
23093 | Cn1cc(Br)c(C(=O)NC2C3CC4CC(C3)CC2C4)n1 | [C][N][C][=C][Branch1][C][Br][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | C16C2CC3CC(C2)CC1C3.Cn1cc(Br)c7n1.C57=O.N56 |
23094 | Cn1c(NC(=O)c2ccc(C(C)(C)C)cc2)cc(=O)n(C)c1=O | [C][N][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring2][Ring1][Branch1][=O] | Cn1c4cc(=O)n(C)c1=O.c15ccc6cc1.C6(C)(C)C.C35=O.N34 |
23095 | O=C(c1ccc(Br)cc1)n1cccn1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=C][C][=N][Ring1][Branch1] | O=C2n1cccn1.c12ccc(Br)cc1 |
23096 | O=C(Nc1cccc2ncccc12)c1cccs1 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1] | c14cccc2ncccc12.c15cccs1.O=C35.N34 |
23097 | CCCC1CCc2c(sc(NC(=O)c3cccnc3)c2C(N)=O)C1 | [C][C][C][C][C][C][C][=C][Branch2][Ring1][#Branch2][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][=C][C][Branch1][C][N][=O][C][Ring2][Ring1][Branch1] | C18CCc2c(sc5c27)C1.c16cccnc1.CCC8.C46=O.C7(N)=O.N45 |
23098 | CC(=O)c1cccc(NC(=O)CCC2CCCC2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][=C][Ring1][S] | c15cccc4c1.C3(=O)CC6.C16CCCC1.CC5=O.N34 |
23099 | Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)o1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][O][Ring1][S] | c14ccc(F)c(Cl)c1.Cc1ccc5o1.C35=O.N34 |
23101 | COc1ccc(NC(=O)C2CCCO2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][Branch1][Ring1][O][C][=C][Ring1][S] | c14ccc6c5c1.C17CCCO1.C37=O.CO4.N36.O5C |
23102 | Cn1cc(C(=O)Nc2ccc(Cl)cc2Cl)cn1 | [C][N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=N][Ring1][S] | c14ccc(Cl)cc1Cl.Cn1cc5cn1.C35=O.N34 |
23103 | Cc1occc1C(=O)Nc1sc(C)c(C)c1C(N)=O | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O] | c13sc(C)c(C)c15.Cc1occc14.C24=O.C5(N)=O.N23 |
23105 | COc1cc(OC)cc(C(=O)Nc2sc(C)c(C)c2C(N)=O)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O][=C][Ring2][Ring1][Branch1] | c14cc5cc7c1.c16sc(C)c(C)c18.C37=O.C8(N)=O.CO4.O5C.N36 |
23106 | CCc1c(C)sc(NC(=O)c2ccoc2C)c1C(=O)OC | [C][C][C][=C][Branch1][C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][=C][Ring1][#C][C][=Branch1][C][=O][O][C] | c18c(C)sc5c17.c16ccoc1C.C46=O.C37=O.CC8.N45.O3C |
23107 | Cc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)o1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][Ring1][=C][O][Ring2][Ring1][Branch1] | c15cccc(C)c1C.N14CCN5CC1.Cc1ccc6o1.C46=O |
23108 | Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C)o3)c2)o1 | [C][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=C][Ring1][#C][O][Ring2][Ring1][#Branch1] | c16cccc7c1.Cc1ccc8o1.c19ccc(C)o1.C48=O.C59=O.N46.N57 |
23109 | O=C(Oc1cccnc1)C1COc2ccccc2O1 | [O][=C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c14cccnc1.O=C35.O34 |
23110 | O=C(Oc1ccccn1)C1COc2ccccc2O1 | [O][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c14ccccn1.O=C35.O34 |
23111 | O=C(Nc1ncccc1Cl)C1COc2ccccc2O1 | [O][=C][Branch1][O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c14ncccc1Cl.O=C35.N34 |
23112 | CCOC(=O)c1c(NC(=O)c2cccc(F)c2)sc(C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][S][C][Branch1][C][C][=C][Ring1][S][C] | c17c6sc(C)c1C.c18cccc(F)c1.C37=O.C48=O.CC5.O35.N46 |
23113 | Cc1cc(C)n(C(=O)c2c(-c3ccccc3Cl)noc2C)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][O][C][=Ring1][N][C][N][=Ring2][Ring1][Branch1] | Cc1cc(C)n(C4=O)n1.c14c5noc1C.c15ccccc1Cl |
23114 | COC(=O)c1c(NC(=O)c2ccoc2C)sc2c1CCCCC2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][S][C][=C][Ring1][=C][C][C][C][C][C][Ring1][#Branch1] | c16c5sc2c1CCCCC2.c17ccoc1C.C36=O.C47=O.CO3.N45 |
23115 | Cc1c(Cl)c(C(=O)NC2C3CC4CC(C3)CC2C4)nn1C | [C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1][=N][N][Ring2][Ring1][Ring1][C] | C16C2CC3CC(C2)CC1C3.Cc1c(Cl)c7nn1C.C57=O.N56 |
23117 | NC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCCCC2 | [N][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][S][C][=C][Ring1][=N][C][C][C][C][C][Ring1][#Branch1] | c16c4sc2c1CCCCC2.C15CCCO1.NC6=O.C35=O.N34 |
23118 | Cc1cc(NC(=O)c2ccc(COc3ccccc3Cl)o2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring1][=C][=N][O][Ring2][Ring1][=Branch1] | c16ccccc1Cl.Cc1cc7no1.c18ccc9o1.C48=O.N47.C59.O56 |
23119 | Cc1cc(NC(=O)c2c(Br)cnn2C)no1 | [C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][Branch1][C][Br][C][=N][N][Ring1][=Branch1][C][=N][O][Ring1][#C] | c15c(Br)cnn1C.Cc1cc4no1.C35=O.N34 |
23120 | O=S(=O)(c1ccc(Br)cc1)n1cccn1 | [O][=S][=Branch1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=C][C][=N][Ring1][Branch1] | O=S(=O)(c1ccc(Br)cc1)n1cccn1 |
23121 | Cc1cc(C)n(C(=O)c2nn(C)c(C)c2Br)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][Br][N][=Ring1][S] | Cc1cc(C)n(C3=O)n1.c13nn(C)c(C)c1Br |
23122 | Cn1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)n1 | [C][N][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1][=N][Ring2][Ring1][C] | C16C2CC3CC(C2)CC1C3.Cn1ccc7n1.C57=O.N56 |
23123 | Cc1cc(C)n(C(=O)c2c(Br)c(C)nn2C)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][Branch1][C][Br][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][N][=Ring1][S] | Cc1cc(C)n(C3=O)n1.c13c(Br)c(C)nn1C |
23124 | Cn1ncc(Cl)c1C(=O)NC1C2CC3CC(C2)CC1C3 | [C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1] | C15C2CC3CC(C2)CC1C3.Cn1ncc(Cl)c16.C46=O.N45 |
23125 | Cc1ccc(OCCn2cnc3c(N)ncnc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | n16cnc2c(N)ncnc21.Cc1ccc5cc1.C4C6.O45 |
23126 | CCc1nnc(SCc2ccc(C(=O)OC)o2)n1N | [C][C][C][=N][N][=C][Branch2][Ring1][C][S][C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][O][Ring1][=Branch2][N][Ring1][S][N] | c16nnc8n1N.c17ccc5o1.C35=O.CC6.S48.C47.O3C |
23127 | Cn1ncc(Cl)c1C(=O)Nc1ccc(Br)cn1 | [C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1] | Cn1ncc(Cl)c14.c13ccc(Br)cn1.C24=O.N23 |
23128 | Cn1cc(Br)c(C(=O)N2CCCCC2)n1 | [C][N][C][=C][Branch1][C][Br][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][=C] | Cn1cc(Br)c4n1.N13CCCCC1.C34=O |
23129 | Cc1cc(C)n(C(=O)c2c(Cl)c(C)nn2C)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][N][=Ring1][S] | Cc1cc(C)n(C3=O)n1.c13c(Cl)c(C)nn1C |
23130 | Cc1nn(C)c(C(=O)NC2CCCC2)c1Br | [C][C][=N][N][Branch1][C][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][Ring1][=C][Br] | Cc1nn(C)c5c1Br.C14CCCC1.C35=O.N34 |
23131 | CCn1c(NC(=O)c2nn(C)cc2Br)nc2ccccc21 | [C][C][N][C][Branch1][P][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Br][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | n16c4nc2ccccc21.c15nn(C)cc1Br.C35=O.CC6.N34 |
23132 | Cc1cc(C)n(Cc2ccc(C(=O)n3nc(C)cc3C)o2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][#Branch2][C][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][O][Ring1][=C][N][=Ring2][Ring1][Branch1] | C4(=O)n1nc(C)cc1C.Cc1cc(C)n5n1.c16ccc4o1.C56 |
23133 | Cn1ncc(Br)c1C(=O)NCc1ccncc1 | [C][N][N][=C][C][Branch1][C][Br][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cn1ncc(Br)c14.c15ccncc1.C24=O.N23.C35 |
23134 | CC1CN(C(=O)c2cccs2)C(C)CN1C(=O)c1cccs1 | [C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][C][C][N][Ring1][=C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | CC1CN3C(C)CN14.c15cccs1.c16cccs1.C35=O.C46=O |
23135 | Cn1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 | [C][N][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=N][Ring1][S] | c14cc(Cl)cc(Cl)c1.Cn1cc5cn1.C35=O.N34 |
23136 | O=C(NC1CCC(NC(=O)C2CCCO2)CC1)C1CCCO1 | [O][=C][Branch2][Ring1][Branch2][N][C][C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][=C][C][C][C][C][O][Ring1][Branch1] | C15CCC6CC1.C18CCCO1.C17CCCO1.O=C37.C48=O.N35.N46 |
23137 | O=C(NCc1cccc(CNC(=O)C2CCCC2)c1)C1CCCC1 | [O][=C][Branch2][Ring1][#Branch2][N][C][C][=C][C][=C][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][=C][Ring1][#C][C][C][C][C][C][Ring1][Branch1] | c19cccc%10c1.C18CCCC1.C17CCCC1.O=C37.C48=O.N35.C59.C6%10.N46 |
23138 | COC(=O)c1sc(NC(=O)c2ccc(C)o2)nc1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][C][=Ring1][=C][C] | c16sc5nc1C.c17ccc(C)o1.C36=O.C47=O.CO3.N45 |
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