ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
7108 | COC(=O)c1cc(OC)c(OC)cc1NC(C)=O | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][C][Branch1][C][C][=O] | c17cc4c5cc16.C27=O.C3(C)=O.CO2.O4C.O5C.N36 |
7109 | COc1cc(SC)ccc1C(=O)Nc1cc(C)on1 | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | c13cc6ccc15.c14cc(C)on1.C25=O.CO3.S6C.N24 |
7111 | CCc1ccc(OCC(=O)Nc2ccccc2C(N)=O)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring2] | c18ccc5cc1.c16ccccc17.C4C3=O.C7(N)=O.CC8.O45.N36 |
7112 | CCCc1ccc(OCC(=O)Nc2ccccc2C(N)=O)cc1 | [C][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring2] | c18ccc5cc1.c16ccccc17.C4C3=O.CCC8.C7(N)=O.O45.N36 |
7113 | Cc1cc(OCC(=O)Nc2ccccc2C(N)=O)ccc1Cl | [C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][Ring2][Ring1][Ring2][Cl] | Cc1cc5ccc1Cl.c16ccccc17.C4C3=O.C7(N)=O.O45.N36 |
7114 | CC(C)c1ccc(OCC(=O)Nc2ccccc2C(N)=O)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring2] | c18ccc5cc1.c16ccccc17.C4C3=O.CC8C.C7(N)=O.O45.N36 |
7115 | Cc1ccc(OCC(=O)Nc2ccccc2C(N)=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring2][C] | Cc1ccc5cc1C.c16ccccc17.C4C3=O.C7(N)=O.O45.N36 |
7116 | CCc1cccc(C)c1NC(=O)COc1ccccc1OC | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c17cccc(C)c16.c14ccccc15.C2(=O)C3.CC7.N26.O34.O5C |
7117 | COc1ccccc1OCC(=O)NCc1ccco1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | c14ccccc15.c17ccco1.C3C2=O.CO4.O35.N26.C67 |
7118 | CCOc1ccc(NC(=O)NC=Cc2ccsc2)cc1 | [C][C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][=C][C][C][=C][S][C][=Ring1][Branch1][C][=C][Ring1][P] | N4C=Cc1ccsc1.c16ccc7cc1.C34=O.CC5.O56.N37 |
7119 | COC(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][Ring1] | c19ccc8cc1.c16ccccc17.C4(=O)C5.C39=O.CO3.N48.O56.O7C |
7120 | COc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c18nc2ccccc2[nH]1.c15ccccc16.C4C3=O.C7C8.CO5.O46.N37 |
7121 | Cc1ccc(NC(=O)NC=Cc2ccsc2)cc1 | [C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][=C][C][C][=C][S][C][=Ring1][Branch1][C][=C][Ring1][P] | N4C=Cc1ccsc1.Cc1ccc5cc1.C34=O.N35 |
7122 | COc1ccccc1OCC(=O)Nc1cccc(C(C)=O)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2] | c14ccccc15.c16cccc7c1.C3C2=O.C7(C)=O.CO4.O35.N26 |
7123 | COc1ccccc1OCC(=O)Nc1ccc(C(C)=O)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2] | c14ccccc15.c16ccc7cc1.C3C2=O.C7(C)=O.CO4.O35.N26 |
7124 | CCOC(=O)Cc1csc(NC(=O)OCC)n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][=Branch2][N][C][=Branch1][C][=O][O][C][C][=N][Ring1][O] | c18csc7n1.C2(=O)C8.C34=O.CC5.O25.N47.O36.C6C |
7125 | COC(=O)CSc1ncnc2cc(OC)c(OC)cc12 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=C][Ring1][#Branch2] | c17ncnc2cc4c5cc12.C3(=O)C6.CO3.S67.O4C.O5C |
7126 | COC(=O)CSc1ncnc2sc3c(c12)CCCC3 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1] | c16ncnc2sc3c(c12)CCCC3.C4(=O)C5.CO4.S56 |
7128 | CCOC(=O)Nc1cc(OC)c(Cl)cc1OC | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][Cl][C][=C][Ring1][=Branch2][O][C] | c17cc5c(Cl)cc16.C23=O.CC4.O24.N37.O5C.O6C |
7131 | NC(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | C16COc2ccccc2O1.c17ccc5cc1.NC7=O.C46=O.N45 |
7133 | NC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=C][Ring2][Ring1][C] | c16cc2ccccc2o1.c17ccc5cc1.NC7=O.C46=O.N45 |
7134 | NC(=O)c1ccccc1NC(=O)c1cc2ccccc2o1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c15cc2ccccc2o1.c16ccccc14.NC6=O.C35=O.N34 |
7135 | Cc1ccc(C)c(NC(=O)CCC(=O)n2nc(C)cc2C)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | C3(=O)CCC(=O)n1nc(C)cc1C.Cc1ccc(C)c4c1.N34 |
7137 | O=C(COc1ccc(-c2ccccc2)cc1)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc6cc1.c16ccccc1.N13CCOCC1.O=C3C4.O45 |
7138 | Cn1nccc1NC(=O)c1cc(Cl)cc(Cl)c1 | [C][N][N][=C][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14cc(Cl)cc(Cl)c1.Cn1nccc13.C24=O.N23 |
7139 | Cn1ncc(Br)c1NC(=O)C(C)(C)C | [C][N][N][=C][C][Branch1][C][Br][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C] | Cn1ncc(Br)c13.C2(=O)C(C)(C)C.N23 |
7142 | COc1cc2ncnc(N3CC(C)OC(C)C3)c2cc1OC | [C][O][C][=C][C][=N][C][=N][C][Branch1][#C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][=C][Ring1][=C][C][=C][Ring2][Ring1][C][O][C] | c14cc2ncnc6c2cc15.N16CC(C)OC(C)C1.CO4.O5C |
7144 | COC(=O)c1cc(OC)c(OC)cc1NC(=O)Nc1ccc(F)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c19cc5c6cc17.c18ccc(F)cc1.C29=O.C34=O.CO2.O5C.O6C.N37.N48 |
7148 | NC(=O)c1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][#Branch1] | c18ccc7cc1.c16ccc9cc1.c19ccccc1.C4(=O)C5.NC8=O.N47.O56 |
7150 | Cc1ccc(S(=O)(=O)Nc2ccnn2C)cc1 | [C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][Ring1][S] | Cc1ccc(S3(=O)=O)cc1.c14ccnn1C.N34 |
7151 | COc1cccc(OC)c1C(=O)Nc1ccnn1C | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C] | c13cccc4c16.c15ccnn1C.C26=O.CO3.O4C.N25 |
7152 | Cn1nccc1NS(=O)(=O)c1ccc(F)cc1 | [C][N][N][=C][C][=C][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S2(=O)(=O)c1ccc(F)cc1.Cn1nccc13.N23 |
7153 | Cc1c(Cl)cccc1S(=O)(=O)Nc1ccnn1C | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C] | Cc1c(Cl)cccc1S2(=O)=O.c13ccnn1C.N23 |
7154 | Cc1ccccc1S(=O)(=O)Nc1ccnn1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C] | Cc1ccccc1S2(=O)=O.c13ccnn1C.N23 |
7155 | Cc1cc(=O)n(C)c(=O)n1CC(=O)N1CCCCCC1 | [C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1] | Cc1cc(=O)n(C)c(=O)n13.N12CCCCCC1.C3C2=O |
7156 | O=C(Cc1ccccc1)N1CCN(c2nc3ccccc3o2)CC1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring1][#C] | c15nc2ccccc2o1.N14CCN5CC1.c16ccccc1.O=C4C6 |
7157 | O=C(C1CC1)N1CCN(c2nc3ccccc3o2)CC1 | [O][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring1][#C] | c15nc2ccccc2o1.N14CCN5CC1.O=C46.C16CC1 |
7158 | CCS(=O)(=O)N1CCN(c2nc3ccccc3o2)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring1][#C] | c15nc2ccccc2o1.N14CCN5CC1.CCS4(=O)=O |
7160 | CN(C)S(=O)(=O)N1CCN(c2nc3ccccc3o2)CC1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring1][#C] | CN(C)S(=O)(=O)N1CCN4CC1.c14nc2ccccc2o1 |
7161 | Cc1cc(C)n(C(=O)CCC(=O)NCc2ccccc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Ring2] | Cc1cc(C)n(C(=O)CCC3=O)n1.c15ccccc1.N34.C45 |
7162 | Cc1ccc(C=c2sc3nnc(-c4ccccc4)n3c2=O)o1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][Ring1][=C][=O][O][Ring2][Ring1][Branch1] | Cc1ccc(C=c2sc3nnc5n3c2=O)o1.c15ccccc1 |
7163 | c1ccc(CCNc2ncnc3ccsc23)cc1 | [C][=C][C][=C][Branch1][P][C][C][N][C][=N][C][=N][C][C][=C][S][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring2][Ring1][C] | c15ncnc2ccsc12.c1ccc6cc1.C6C4.N45 |
7164 | Cn1nccc1NC(=O)c1ccc(Cl)c(Cl)c1 | [C][N][N][=C][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14ccc(Cl)c(Cl)c1.Cn1nccc13.C24=O.N23 |
7165 | Cn1nccc1NS(=O)(=O)c1cccc(Cl)c1 | [C][N][N][=C][C][=C][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | S2(=O)(=O)c1cccc(Cl)c1.Cn1nccc13.N23 |
7166 | COc1ccc(-c2nc(C(F)(F)F)c(OC)o2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Branch1][Ring1][O][C][O][Ring1][O][C][=C][Ring1][P][O][C] | c14ccc7cc15.c17nc6c3o1.C6(F)(F)F.CO4.O3C.O5C |
7167 | CC(=O)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3 | [C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][C][Ring1][N][=Ring1][#Branch1][C][C][C][C][Ring1][#Branch1] | c15cc(C)cc2oc(=O)c3c(c12)CCCC3.CC4=O.O45 |
7168 | Cn1nccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl | [C][N][N][=C][C][=C][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl] | S2(=O)(=O)c1cc(Cl)c(Cl)cc1Cl.Cn1nccc13.N23 |
7169 | CCOC(=O)c1c(N)n(C2CCCC2)c2nc3ccccc3nc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Ring1][Ring1][#Branch2] | c16c(N)n7c2nc3ccccc3nc12.C17CCCC1.C46=O.CC5.O45 |
7170 | CC1CCc2c(sc3ncn(CC(N)=O)c(=O)c23)C1 | [C][C][C][C][C][=C][Branch2][Ring1][#Branch1][S][C][N][=C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][Ring1][=C][=Ring1][O][C][Ring2][Ring1][C] | CC1CCc2c(sc3ncn4c(=O)c23)C1.C4C(N)=O |
7171 | CCN(CC)c1ncnc2sc3c(c12)CCCC3 | [C][C][N][Branch1][Ring1][C][C][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1] | c16ncnc2sc3c(c12)CCCC3.N456.CC4.C5C |
7172 | Cc1cc(Br)ccc1S(=O)(=O)Nc1ccnn1C | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C] | Cc1cc(Br)ccc1S2(=O)=O.c13ccnn1C.N23 |
7175 | Cn1nccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 | [C][N][N][=C][C][=C][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2] | S2(=O)(=O)c1ccc4cc1.Cn1nccc13.C4(C)(C)C.N23 |
7176 | CC(=O)c1ccc(NC2OC(C)C(O)C(O)C2O)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][O][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][O][C][=C][Ring1][P] | C14OC(C)C(O)C(O)C1O.c15ccc3cc1.CC5=O.N34 |
7178 | Cc1sc2ncnc(SCc3ccco3)c2c1C | [C][C][S][C][=N][C][=N][C][Branch1][#Branch2][S][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][=N][C][=Ring1][S][C] | Cc1sc2ncnc6c2c1C.c15ccco1.S46.C45 |
7179 | COc1ccc(S(=O)(=O)Nc2ccnn2C)cc1 | [C][O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][Ring1][S] | c13ccc(S4(=O)=O)cc1.c15ccnn1C.CO3.N45 |
7180 | COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17cc4c5cc16.c18ccccc1.C27=O.C38=O.CO2.O4C.O5C.N36 |
7181 | CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][NH1][C][=Branch1][C][=O][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=C][Ring1][N] | S5(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.N345.CC3.C4C |
7182 | COC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 | [C][O][C][=Branch1][C][=O][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S5(=O)(=O)c1ccc(C)cc1.c16ccccc1.C2(=O)C3.N345.CO2.C46 |
7183 | CCC(C)Nc1ncnc2cc(OC)c(OC)cc12 | [C][C][C][Branch1][C][C][N][C][=N][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=C][Ring1][#Branch2] | c16ncnc2cc3c4cc12.CCC5C.N56.O3C.O4C |
7184 | CC(=O)Nc1nnc(SCC(=O)c2ccccc2)s1 | [C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#C] | c15nnc7s1.c16ccccc1.C4C6=O.CC3=O.N35.S47 |
7185 | O=C1CCCN1c1ccc(S(=O)(=O)NCCc2ccccc2)cc1 | [O][=C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c16ccc(S4(=O)=O)cc1.O=C1CCCN16.c15ccccc1.C3C5.N34 |
7187 | Cc1cc(S(=O)(=O)Nc2ccnn2C)c(Cl)cc1Cl | [C][C][=C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][=C][Branch1][C][Cl][C][=C][Ring1][P][Cl] | Cc1cc(S3(=O)=O)c(Cl)cc1Cl.c14ccnn1C.N34 |
7189 | CCOC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C | [C][C][O][C][=Branch1][C][=O][C][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n15cnc2c1c(=O)n(C)c(=O)n2C.C3(=O)CC5.CC4.O34 |
7192 | CCN(CC)S(=O)(=O)c1ccc(C2CNC(=O)C2)cc1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1][C][=C][Ring1][N] | S5(=O)(=O)c1ccc6cc1.C16CNC(=O)C1.N345.CC3.C4C |
7193 | COc1cc(C)nc(N(CC(N)=O)S(=O)(=O)c2ccccc2)n1 | [C][O][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=Branch2][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | S5(=O)(=O)c1ccccc1.c13cc(C)nc6n1.C4C(N)=O.N456.CO3 |
7194 | Cn1ncc(Br)c1NC(=O)c1ccc(Cl)cc1 | [C][N][N][=C][C][Branch1][C][Br][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cn1ncc(Br)c13.c14ccc(Cl)cc1.C24=O.N23 |
7195 | Cn1ncc(Br)c1NC(=O)c1ccccc1 | [C][N][N][=C][C][Branch1][C][Br][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1ncc(Br)c13.c14ccccc1.C24=O.N23 |
7196 | Cn1ncc(Br)c1NC(=O)c1ccc(F)cc1Cl | [C][N][N][=C][C][Branch1][C][Br][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl] | c14ccc(F)cc1Cl.Cn1ncc(Br)c13.C24=O.N23 |
7197 | O=C1CC(c2ccc(S(=O)(=O)NCc3ccccc3)cc2)CN1 | [O][=C][C][C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][C][N][Ring2][Ring1][=Branch1] | c17ccc(S5(=O)=O)cc1.O=C1CC7CN1.c16ccccc1.N45.C46 |
7199 | Cn1ncc2c(Sc3cccc4ccccc34)ncnc21 | [C][N][N][=C][C][=C][Branch1][S][S][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][=C][N][=C][Ring1][P][Ring2][Ring1][Ring2] | Cn1ncc2c5ncnc21.c16cccc2ccccc12.S56 |
7200 | O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CC1 | [O][=C][Branch2][Ring1][=Branch2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][O][Ring1][#Branch2][C][C][C][Ring1][Ring1] | c14ccc2c(c1)OC1(CCCC1)O2.O=C35.C15CC1.N34 |
7202 | CCOc1ccc(-n2cnnn2)cc1S(=O)(=O)NC1CC1 | [C][C][O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Ring1][Ring1] | c14ccc7cc1S5(=O)=O.n17cnnn1.C16CC1.CC3.O34.N56 |
7206 | CCOC(=O)c1cnn(-c2ncnc3c2cnn3C)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][#C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][=Ring1][#C][N] | c17ncnc2c1cnn2C.c16cnn7c1N.C46=O.CC5.O45 |
7207 | O=C(Nc1nc2ccccc2s1)c1ccccc1F | [O][=C][Branch1][#C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14nc2ccccc2s1.c15ccccc1F.O=C35.N34 |
7209 | CCC(C)NC(=O)c1c(-c2ccccc2Cl)noc1C | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][O][C][=Ring1][N][C] | c15c6noc1C.c16ccccc1Cl.CCC4C.C35=O.N34 |
7210 | Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCCC1 | [C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1] | Cc1onc5c14.c15ccccc1Cl.N13CCCCCC1.C34=O |
7211 | CCNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C | [C][C][N][C][=Branch1][C][=O][C][C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=N][C] | c16c(Cl)cccc1Cl.c15c6noc1C.C35=O.CC4.N34 |
7212 | COC(=O)CNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][=N][O][C][=Ring1][=N][C] | c17c(Cl)cccc1Cl.c16c7noc1C.C3(=O)C5.C46=O.CO3.N45 |
7213 | Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCOCC1 | [C][C][O][N][=C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Ring1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c15c(Cl)cccc1Cl.Cc1onc5c14.N13CCOCC1.C34=O |
7214 | COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)C1c1cccnc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][Branch1][N][O][C][Branch1][Ring1][C][O][=C][C][Ring1][Branch2][=O][C][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1] | C3(=O)C1=C(N)Oc2c(oc4cc2=O)C1c1cccnc1.CO3.C4O |
7215 | CCOC(=O)c1cnn(-c2ncnc3c2cnn3C)c1C(F)(F)F | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][#C][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][=Ring1][#C][C][Branch1][C][F][Branch1][C][F][F] | c18ncnc2c1cnn2C.c16cnn8c17.C7(F)(F)F.C46=O.CC5.O45 |
7216 | COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OC | [C][O][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][C][=C][Ring2][Ring1][Branch1][O][C] | c15ccc8cc16.N14CCN7CC1.c17ccc(F)cc1.C48=O.CO5.O6C |
7217 | COc1cc(OC)cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][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][=C][Ring2][Ring1][#Branch1] | c15cc6cc8c1.N14CCN7CC1.c17ccc(F)cc1.C48=O.CO5.O6C |
7218 | CC(C)(C)c1cc2ncnc(N3CCOCC3)c2s1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N][S][Ring1][#C] | c15cc2ncnc4c2s1.N14CCOCC1.CC5(C)C |
7219 | COc1cc(OC)cc(C(=O)N2CCN(c3ccccc3)CC2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=C][Ring2][Ring1][=Branch1] | c15cc6cc8c1.N14CCN7CC1.c17ccccc1.C48=O.CO5.O6C |
7223 | COC(=O)C1=C(N)Oc2c(oc(CO)cc2=O)C1c1ccc(F)cc1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][O][C][=C][Branch1][N][O][C][Branch1][Ring1][C][O][=C][C][Ring1][Branch2][=O][C][Ring1][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | C3(=O)C1=C(N)Oc2c(oc4cc2=O)C1c1ccc(F)cc1.CO3.C4O |
7224 | Cc1c(F)cccc1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1 | [C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | S2(=O)(=O)c1ccc(S(N)(=O)=O)cc1.Cc1c3cccc1F.N23 |
7225 | Cn1ncc(C(=O)Nc2cccc(F)c2)c1-n1cccc1 | [C][N][N][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring1][#C][N][C][=C][C][=C][Ring1][Branch1] | Cn1ncc5c16.c14cccc(F)c1.n16cccc1.C35=O.N34 |
7226 | COc1cc2ncnc(NCc3cccc4c3OCO4)c2cc1OC | [C][O][C][=C][C][=N][C][=N][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][Branch1][=C][Ring1][P][C][=C][Ring2][Ring1][Branch1][O][C] | c15cc2ncnc8c2cc16.c19cccc2c1OCO2.CO5.N78.C79.O6C |
7227 | Cc1nnc(SCC(=O)N2CCC(C(N)=O)CC2)s1 | [C][C][=N][N][=C][Branch2][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][S][Ring2][Ring1][C] | N13CCC5CC1.Cc1nnc6s1.C4C3=O.C5(N)=O.S46 |
7228 | CC(Sc1nnc(-c2cccnc2)o1)C(=O)c1ccccc1 | [C][C][Branch2][Ring1][Ring1][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nnc6o1.c16cccnc1.c14ccccc1.CC3C4=O.S35 |
7229 | CC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 | [C][C][=Branch1][C][=O][N][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][C][=C][Ring2][Ring1][Branch1] | c16ccc8cc1.N15CCN7CC1.c17ccc(F)cc1.CC4=O.C58=O.N46 |
7230 | Cn1ncc(C(=O)NC2CCCCC2)c1-n1cccc1 | [C][N][N][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=C][N][C][=C][C][=C][Ring1][Branch1] | Cn1ncc5c16.C14CCCCC1.n16cccc1.C35=O.N34 |
7231 | Cc1cc(C)n2c(SCc3cccs3)nnc2n1 | [C][C][C][=C][Branch1][C][C][N][C][Branch1][#Branch2][S][C][C][=C][C][=C][S][Ring1][Branch1][=N][N][=C][Ring1][N][N][=Ring1][P] | Cc1cc(C)n2c6nnc2n1.c15cccs1.S46.C45 |
7232 | COC(=O)c1sc(-c2cccs2)cc1NC(=O)c1ccco1 | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][C][=Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | c16sc8cc15.c18cccs1.c17ccco1.C36=O.C47=O.CO3.N45 |
7233 | Cc1ccc(OCCn2ccc(=O)[nH]c2=O)cc1C | [C][C][=C][C][=C][Branch1][S][O][C][C][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring1][P][C] | Cc1ccc4cc1C.n15ccc(=O)[nH]c1=O.C3C5.O34 |
7234 | Cc1cn(CCOc2ccc(Cl)cc2)c(=O)[nH]c1=O | [C][C][=C][N][Branch1][#C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][C][Ring1][P][=O] | Cc1cn5c(=O)[nH]c1=O.c14ccc(Cl)cc1.C5C3.O34 |
7235 | O=c1ccn(CCOc2ccc(Cl)cc2)c(=O)[nH]1 | [O][=C][C][=C][N][Branch1][#C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][P] | O=c1ccn5c(=O)[nH]1.c14ccc(Cl)cc1.C5C3.O34 |
7238 | COC(=O)CSc1nnnn1-c1cc(C)ccc1C | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C] | c14cc(C)ccc1C.c15nnnn14.C2(=O)C3.CO2.S35 |
7241 | Cc1cc(C)cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch2] | n16cnc2c1c(=O)n(C)c(=O)n2C.Cc1cc5cc(C)c1.C4(=O)C6.N45 |
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