ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
32982 | COc1ccc(-c2noc(-c3cccc(OC)c3OC)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][O][C][Branch1][#C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1][O][C] | c14ccc8cc17.c19cccc5c16.c18noc9n1.CO4.O5C.O6C.O7C |
32985 | COc1cccc(-c2nc(-c3ccncc3)no2)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring1][P][O][C] | c14cccc6c15.c16nc7no1.c17ccncc1.CO4.O5C |
32986 | COc1cccc(-c2nc(-c3cccnc3)no2)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring1][P][O][C] | c14cccc6c15.c16nc7no1.c17cccnc1.CO4.O5C |
32987 | COc1cccc(-c2nc(-c3ccccn3)no2)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring1][P][O][C] | c14cccc7c15.c17nc6no1.c16ccccn1.CO4.O5C |
32988 | COc1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1OC | [C][O][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][=C][Ring2][Ring1][Branch1][O][C] | c15cccc8c16.N14CCN7CC1.c17ccc(F)cc1.C48=O.CO5.O6C |
32990 | COc1cc(OC)c(-c2nc(-c3cccnc3)no2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc5c7cc16.c17nc8no1.c18cccnc1.CO4.O5C.O6C |
32992 | COc1cc(OC)c(-c2nc(-c3ccccn3)no2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc5c8cc16.c18nc7no1.c17ccccn1.CO4.O5C.O6C |
32993 | COc1cc(OC)c(-c2nc(-c3ccncc3)no2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc5c7cc16.c17nc8no1.c18ccncc1.CO4.O5C.O6C |
32994 | COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3OC)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=N][O][C][Branch2][Ring1][Ring1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][C][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c19cc5c6cc17.c14ccc8cc1.c18noc9n1.CO4.O5C.O6C.O7C |
32995 | COc1cc(OC)c(-c2nc(-c3ccccc3)no2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc5c7cc16.c17nc8no1.c18ccccc1.CO4.O5C.O6C |
32996 | COc1cc(OC)c(C(=O)NCc2ccncc2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] | c14cc5c8cc16.c19ccncc1.C38=O.CO4.O5C.N37.C79.O6C |
32997 | COc1cccc(C(=O)Nc2ccc(F)cc2F)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][Ring1][P][O][C] | c14cccc7c15.c16ccc(F)cc1F.C37=O.CO4.N36.O5C |
32998 | COc1cccc(C(=O)Nc2ccccc2NC(C)=O)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=O][=C][Ring2][Ring1][Ring1][O][C] | c15cccc9c16.c17ccccc18.C39=O.C4(C)=O.CO5.N37.N48.O6C |
32999 | COC(=O)c1ccccc1NC(=O)c1cccc(OC)c1OC | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C] | c18cccc4c15.c17ccccc16.C27=O.C38=O.CO2.N36.O4C.O5C |
33000 | COc1cccc(C(=O)Nc2cccc(C#N)c2)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=C][Ring1][P][O][C] | c14cccc7c15.c16cccc(C#N)c1.C37=O.CO4.N36.O5C |
33001 | COc1cccc(C(=O)Nc2ccc(NC(C)=O)cc2)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][O][C] | c15cccc9c16.c17ccc8cc1.C39=O.C4(C)=O.CO5.N37.N48.O6C |
33004 | COc1cccc(C(=O)Nc2ccc3c(c2)OCO3)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][C][O][C] | c17ccc2c(c1)OCO2.c15cccc8c16.C48=O.CO5.N47.O6C |
33005 | COc1cccc(C(=O)Nc2cccc(F)c2)c1OC | [C][O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring1][S][O][C] | c14cccc7c15.c16cccc(F)c1.C37=O.CO4.N36.O5C |
33006 | COc1cccc(C(=O)Nc2ccccc2F)c1OC | [C][O][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring1][S][O][C] | c14cccc7c15.c16ccccc1F.C37=O.CO4.N36.O5C |
33007 | COc1cccc(C(=O)Nc2ccc3c(c2)OCCO3)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][O][C] | c17ccc2c(c1)OCCO2.c15cccc8c16.C48=O.CO5.N47.O6C |
33009 | COc1ccc(NC(=O)c2cccc(OC)c2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Ring1] | c18cccc5c16.c14ccc7cc1.C38=O.CO4.N37.O5C.O6C |
33010 | COc1cccc(NC(=O)c2cccc(OC)c2OC)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][C][=C][Ring2][Ring1][Ring1] | c18cccc5c16.c14cccc7c1.C38=O.CO4.N37.O5C.O6C |
33011 | Cc1cc(C)cc(C(=O)Nc2ccc(C(N)=O)cc2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring1] | Cc1cc5cc(C)c1.c14ccc6cc1.C35=O.C6(N)=O.N34 |
33012 | CCOC(=O)C1CCN(C(=O)c2cc(C)cc(C)c2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][C][Ring1][S] | c17cc(C)cc(C)c1.C16CCN4CC1.C36=O.C47=O.CC5.O35 |
33013 | COc1ccc(CNC(=O)c2cc(C)cc(C)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | c16cc(C)cc(C)c1.c14ccc7cc1.C36=O.CO4.C57.N35 |
33014 | COc1ccc(NC(=O)c2cc(C)cc(C)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring1][P][O][C] | c14ccc6cc15.c17cc(C)cc(C)c1.C37=O.CO4.N36.O5C |
33015 | Cc1cc(C)cc(C(=O)N(C)Cc2ccccc2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1cc5cc(C)c1.c16ccccc1.C35=O.N34C.C46 |
33016 | CCOC(=O)Cc1csc(NC(=O)c2cc(C)cc(C)c2)n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][=N][Ring1][S] | c17cc(C)cc(C)c1.c18csc6n1.C3(=O)C8.C47=O.CC5.O35.N46 |
33018 | CCOC(=O)N1CCN(C(=O)c2cc(C)cc(C)c2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][C][Ring1][S] | c17cc(C)cc(C)c1.N14CCN5CC1.C34=O.C57=O.CC6.O36 |
33020 | CC(=O)Nc1ccccc1NC(=O)c1cc(C)cc(C)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2] | c16cc(C)cc(C)c1.c14ccccc15.CC2=O.C36=O.N24.N35 |
33021 | COc1ccc(CCNC(=O)c2cc(C)cc(C)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1][O][C] | c14ccc8cc15.c17cc(C)cc(C)c1.C8C6.C37=O.CO4.N36.O5C |
33022 | Cc1cc(C)cc(C(=O)Nc2nc(C)c(C)s2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1][=C][Ring1][P] | Cc1cc5cc(C)c1.c14nc(C)c(C)s1.C35=O.N34 |
33023 | Cc1cc(C)cc(-c2nc(-c3cccnc3)no2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][C] | Cc1cc4cc(C)c1.c14nc5no1.c15cccnc1 |
33024 | Cc1cc(C)cc(-c2nc(-c3ccccn3)no2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][C] | Cc1cc5cc(C)c1.c15nc4no1.c14ccccn1 |
33025 | Cc1cc(C)cc(-c2nc(-c3ccncc3)no2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][C] | Cc1cc4cc(C)c1.c14nc5no1.c15ccncc1 |
33027 | Cc1cc(C)cc(C(=O)N2CCc3ccccc3C2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | N14CCc2ccccc2C1.Cc1cc5cc(C)c1.C45=O |
33028 | Cc1cc(C)cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 | [C][C][=C][C][Branch1][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][Ring2][Ring1][=Branch1] | Cc1cc6cc(C)c1.N14CCN5CC1.c15ccc(F)cc1.C46=O |
33030 | COc1ccccc1-c1nc(-c2ccccn2)no1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O] | c13ccccc15.c15nc4no1.c14ccccn1.CO3 |
33031 | CCOc1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][C][C][=C][Ring2][Ring1][Branch1] | c1%10cc6c7cc18.c15ccc9cc1.C3%10=O.CC4.O45.N39.O6C.O7C.O8C |
33032 | COc1cc(OC)c(C(=O)Nc2ccc(F)cc2F)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc5c8cc16.c17ccc(F)cc1F.C38=O.CO4.O5C.N37.O6C |
33033 | COc1cc(OC)c(C(=O)Nc2cccc(F)c2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][O][C] | c14cc5c8cc16.c17cccc(F)c1.C38=O.CO4.O5C.N37.O6C |
33035 | COc1ccccc1NC(=O)c1cc(OC)c(OC)cc1OC | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][C] | c18cc4c5cc16.c13ccccc17.C28=O.CO3.N27.O4C.O5C.O6C |
33037 | COc1cc(OC)c(C(=O)Nn2cnnc2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=N][C][=Branch1][C][=O][N][N][C][=N][N][=C][Ring1][Branch1][C][=C][Ring1][S][O][C] | c13cc4c6cc15.C6(=O)Nn1cnnc1.CO3.O4C.O5C |
33038 | COc1cc(OC)c(C(=O)N2CCC(C(N)=O)CC2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc5c8cc16.N13CCC7CC1.C38=O.C7(N)=O.CO4.O5C.O6C |
33039 | COc1cc(OC)c(C(=O)N(C(C)C)C(C)C)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=C][Ring1][P][O][C] | c13cc4c8cc15.C28=O.N267.C6(C)C.C7(C)C.CO3.O4C.O5C |
33040 | CCN(CC)C(=O)c1cc(OC)c(OC)cc1OC | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][C] | c18cc3c4cc15.N267.C28=O.CC6.C7C.O3C.O4C.O5C |
33041 | COc1cc(OC)c(C(=O)N2CCC(C)CC2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][P][O][C] | c14cc5c7cc16.N13CCC(C)CC1.C37=O.CO4.O5C.O6C |
33043 | COc1cc(OC)c(C(=O)NCc2ccc(F)cc2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc5c8cc16.c19ccc(F)cc1.C38=O.CO4.O5C.N37.C79.O6C |
33044 | COc1cc(OC)c(C(=O)Nc2ccncc2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][P][O][C] | c14cc5c8cc16.c17ccncc1.C38=O.CO4.O5C.N37.O6C |
33046 | COc1ccccc1CNC(=O)c1cc(OC)c(OC)cc1OC | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][C] | c18cc4c5cc16.c13ccccc19.C28=O.CO3.C79.N27.O4C.O5C.O6C |
33047 | COc1cc(OC)c(C(=O)NCc2ccc(Cl)cc2)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc5c8cc16.c19ccc(Cl)cc1.C38=O.CO4.O5C.N37.C79.O6C |
33048 | COc1cc(OC)c(C(=O)NCc2ccccc2Cl)cc1OC | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][Ring1][O][C] | c14cc5c8cc16.c19ccccc1Cl.C38=O.CO4.O5C.N37.C79.O6C |
33050 | CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1OCC | [C][C][O][C][=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][Ring1][P][O][C][C] | c16ccc9cc17.c18c(C)cccc1C.C39=O.CC4.O46.N38.O57.C5C |
33051 | CC1(C)Cc2c(sc3ncn4c(=O)[nH]nc4c23)CO1 | [C][C][Branch1][C][C][C][C][=C][Branch2][Ring1][Ring2][S][C][N][=C][N][C][=Branch1][C][=O][NH1][N][=C][Ring1][=Branch1][C][Ring1][=N][=Ring1][#Branch2][C][O][Ring2][Ring1][C] | CC1(C)Cc2c(sc3ncn4c(=O)[nH]nc4c23)CO1 |
33053 | CC1(C)Cc2nc3sc4c(=O)n(N)cnc4c3cc2CO1 | [C][C][Branch1][C][C][C][C][=N][C][S][C][C][=Branch1][C][=O][N][Branch1][C][N][C][=N][C][=Ring1][Branch2][C][=Ring1][O][C][=C][Ring1][#C][C][O][Ring2][Ring1][Ring2] | CC1(C)Cc2nc3sc4c(=O)n(N)cnc4c3cc2CO1 |
33054 | Cc1cc(-c2cccnc2)c(C#N)c(SCc2ccncc2)n1 | [C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Branch1][Ring1][C][#N][C][Branch1][O][S][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1] | Cc1cc6c(C#N)c5n1.c16cccnc1.c14ccncc1.S35.C34 |
33056 | CC(=O)Oc1cc(C)c2c(=O)c(-c3nc(C)cs3)coc2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][Branch1][O][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][=C][O][C][Ring1][=N][=C][Ring2][Ring1][C] | c15cc(C)c2c(=O)c6coc2c1.c16nc(C)cs1.CC4=O.O45 |
33058 | CC(C)(C)c1nc2sc3c(c2c(=O)n1N)CCCC3 | [C][C][Branch1][C][C][Branch1][C][C][C][=N][C][S][C][=C][Branch1][N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][N][C][C][C][C][Ring1][O] | c14nc2sc3c(c2c(=O)n1N)CCCC3.CC4(C)C |
33060 | CCOC(=O)CSc1nc2sc3c(c2c(=O)n1CC)CCC3 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][S][C][=C][Branch1][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][C][Ring1][O] | c18nc2sc3c(c2c(=O)n17)CCC3.C4(=O)C6.CC5.O45.S68.C7C |
33061 | CC(C)OC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C] | c16nc2c(c(=O)[nH]c(=O)n2C)n1C.C3(=O)C5.CC4C.O34.S56 |
33062 | CCOC(=O)COc1ccc2c(=O)c(-c3cscn3)c(C)oc2c1 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][Branch1][Branch2][C][=C][S][C][=N][Ring1][Branch1][=C][Branch1][C][C][O][C][Ring1][=N][=C][Ring1][P] | c17ccc2c(=O)c8c(C)oc2c1.c18cscn1.C4(=O)C6.CC5.O45.O67 |
33063 | CCSc1nc2sc3c(c2c2nnnn12)CC(C)(C)OC3 | [C][C][S][C][=N][C][S][C][=C][Branch1][=N][C][=Ring1][Branch1][C][=N][N][=N][N][Ring1][N][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][=C] | c15nc2sc3c(c2c2nnnn12)CC(C)(C)OC3.CC4.S45 |
33064 | Cc1csc(NCC(=O)c2c[nH]c3ccccc23)n1 | [C][C][=C][S][C][Branch2][Ring1][Ring2][N][C][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][Ring2][Ring1][C] | c16c[nH]c2ccccc12.Cc1csc5n1.C4C6=O.N45 |
33065 | CCn1c2sc3c(c2c(=O)n2nnnc12)CC(C)(C)OC3 | [C][C][N][C][S][C][=C][Branch1][P][C][=Ring1][Branch1][C][=Branch1][C][=O][N][N][=N][N][=C][Ring1][=N][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][S] | n14c2sc3c(c2c(=O)n2nnnc12)CC(C)(C)OC3.CC4 |
33067 | CCn1c(=O)c2c3c(sc2n2cnnc12)CCC3 | [C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=C][S][C][=Ring1][Branch1][N][C][=N][N][=C][Ring1][=N][Ring1][Branch1][C][C][C][Ring1][N] | n14c(=O)c2c3c(sc2n2cnnc12)CCC3.CC4 |
33068 | CCOC(=O)c1c(NCc2ccco2)c2ccccc2[nH]c1=O | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][P][=O] | c17c6c2ccccc2[nH]c1=O.c18ccco1.C37=O.CC4.O34.N56.C58 |
33070 | CCSc1nc2sc3c(c2c(=O)n1C)CCC3 | [C][C][S][C][=N][C][S][C][=C][Branch1][N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][Ring1][#Branch2] | c15nc2sc3c(c2c(=O)n1C)CCC3.CC4.S45 |
33071 | Cc1ccc(-c2cc(C(N)=O)c3ccccc3n2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=N][O][Ring2][Ring1][C] | c15cc4c2ccccc2n1.Cc1ccc5o1.C4(N)=O |
33072 | CC(C)OC(=O)c1sc2nc(-c3cccnc3)ccc2c1N | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][C][=Ring1][#C][N] | c16sc2nc7ccc2c1N.c17cccnc1.CC5C.C46=O.O45 |
33073 | CCCc1nn(CCc2ccccn2)c(N)c1CC | [C][C][C][C][=N][N][Branch1][O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][N][=C][Ring1][=C][C][C] | c14nn3c(N)c16.c15ccccn1.CCC4.C3C5.C6C |
33074 | Cc1cc(C)n(C(=O)CSc2nncn2C)n1 | [C][C][C][=C][Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][N][=Ring1][S] | Cc1cc(C)n(C(=O)C3)n1.c14nncn1C.S34 |
33075 | CNc1ccccc1-c1nc2ccccc2n(C)c1=O | [C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][O][=O] | c14nc2ccccc2n(C)c1=O.c13ccccc14.CN3 |
33076 | Cc1nc2ccccc2n1C(=O)C#Cc1ccccc1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc2ccccc2n1C(=O)C#Cc1ccccc1 |
33077 | CCOC(=O)c1sc(C)c(C(=O)NCc2ccccc2)c1N | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][S][N] | c17sc(C)c8c1N.c19ccccc1.C37=O.C48=O.CC5.O35.N46.C69 |
33078 | O=C1CCCN1c1ccc(S(=O)(=O)NCc2ccco2)cc1 | [O][=C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][S] | c16ccc(S4(=O)=O)cc1.O=C1CCCN16.c15ccco1.N34.C35 |
33080 | Cc1cc(C)n(C(=O)c2cccc(Br)c2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][=Ring1][#C] | Cc1cc(C)n(C3=O)n1.c13cccc(Br)c1 |
33081 | COc1cccc(COc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][C][O][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c15nc2c(c(=O)n(C)c(=O)n2C)n1C.c16cccc7c1.CO6.C47.O45 |
33082 | CCCc1nc2sc3c(=O)n(N)cnc3c2c2c1CCCC2 | [C][C][C][C][=N][C][S][C][C][=Branch1][C][=O][N][Branch1][C][N][C][=N][C][=Ring1][Branch2][C][=Ring1][O][C][=C][Ring1][#C][C][C][C][C][Ring1][=Branch1] | c14nc2sc3c(=O)n(N)cnc3c2c2c1CCCC2.CCC4 |
33083 | O=C(c1cccnc1)N1C2C=CC(C2)C1(C(F)(F)F)C(F)(F)F | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][=C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][#Branch1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] | N13C2C=CC(C2)C156.c14cccnc1.C5(F)(F)F.C6(F)(F)F.O=C34 |
33084 | COC(=O)CSc1nc(N)c2c3c(sc2n1)CCC3 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][#Branch2][C][C][C][Ring1][Branch2] | c16nc(N)c2c3c(sc2n1)CCC3.C4(=O)C5.CO4.S56 |
33085 | COC(=O)CSc1nc(N)c2c3c(sc2n1)CCCC3 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][#Branch2][C][C][C][C][Ring1][=Branch2] | c16nc(N)c2c3c(sc2n1)CCCC3.C4(=O)C5.CO4.S56 |
33086 | CC1(C)CC(N(Cc2ccco2)C(=O)Cc2ccccc2)CCO1 | [C][C][Branch1][C][C][C][C][Branch2][Ring1][=Branch2][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring2][Ring1][#Branch1] | CC1(C)CC5CCO1.c17ccccc1.c16ccco1.C3(=O)C7.N345.C46 |
33087 | CCOC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][S][C][=C][Branch1][N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][Ring1][#Branch2] | c17nc2sc3c(c2c(=O)n1C)CCC3.C4(=O)C6.CC5.O45.S67 |
33088 | CCCc1nc2sc3c(=O)n(N)cnc3c2c2c1COC(C)(C)C2 | [C][C][C][C][=N][C][S][C][C][=Branch1][C][=O][N][Branch1][C][N][C][=N][C][=Ring1][Branch2][C][=Ring1][O][C][=C][Ring1][#C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2] | c14nc2sc3c(=O)n(N)cnc3c2c2c1COC(C)(C)C2.CCC4 |
33090 | CC(=O)N(C)c1ccc(NC(=O)c2ccccc2Br)cc1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][Ring1][S] | c15ccc6cc1.c17ccccc1Br.CC3=O.N35C.C47=O.N46 |
33092 | CCOc1cc(CO)ccc1OCc1ccccc1 | [C][C][O][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cc6ccc15.c17ccccc1.CC2.O24.C6O.O35.C37 |
33093 | CCC(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 | [C][C][C][Branch1][C][C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c14ccc(S3(=O)=O)cc1.N13CCOCC1.CCC4C |
33094 | COc1cccc(-c2ccc(-c3noc(C)n3)c(OC)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][O][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1][C][Branch1][Ring1][O][C][=N][Ring1][=C][=C][Ring2][Ring1][Ring2] | c16ccc7c4n1.c15cccc6c1.c17noc(C)n1.CO5.O4C |
33095 | COc1ccc(-c2ccc(-c3noc(C)n3)c(OC)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][O][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1][C][Branch1][Ring1][O][C][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c16ccc7c4n1.c15ccc6cc1.c17noc(C)n1.CO5.O4C |
33096 | COCc1nc(-c2ccc(-c3ccc(OC)cc3)nc2OC)no1 | [C][O][C][C][=N][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][=C][Ring1][=C][O][C][=N][O][Ring2][Ring1][Branch1] | c18ccc9nc15.c19ccc6cc1.c17nc8no1.CO4.C47.O6C.O5C |
33097 | CCOc1ccc(-c2nc(-c3ccc(C)nc3OC)no2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][=C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][O][C][=N][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c18ccc(C)nc15.c16ccc7cc1.c17nc8no1.CC4.O46.O5C |
33098 | COc1cc(OC)cc(-c2nc(-c3ccc(C)nc3OC)no2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][=C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][O][C][=N][O][Ring1][=C][=C][Ring2][Ring1][=Branch1] | c15cc6cc7c1.c18ccc(C)nc14.c17nc8no1.CO5.O6C.O4C |
33099 | COc1nc(C)ccc1-c1noc(-c2ccc(F)cc2)n1 | [C][O][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=N][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N] | c13nc(C)ccc14.c15ccc(F)cc1.c14noc5n1.CO3 |
33100 | CCOc1ccccc1-c1nc(-c2ccc(C)nc2OC)no1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][O][C][=N][O][Ring1][=C] | c17ccc(C)nc14.c15ccccc16.c16nc7no1.CC3.O35.O4C |
33101 | COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccncc2)n1 | [C][O][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][C][=N][O][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][O] | c13nc4ccc15.c14ccccc1.c15noc6n1.c16ccncc1.CO3 |
33102 | COc1nc(-c2ccccc2)ccc1-c1noc(C)n1 | [C][O][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1] | c13nc4ccc15.c14ccccc1.c15noc(C)n1.CO3 |
33103 | COc1nc(C)ccc1-c1noc(-c2cccnc2)n1 | [C][O][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][O] | c13nc(C)ccc14.c14noc5n1.c15cccnc1.CO3 |
33104 | COc1ccc(-c2nc(-c3ccc(C)nc3OC)no2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][=C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][O][C][=N][O][Ring1][=C][C][=C][Ring2][Ring1][Ring2][O][C] | c15ccc7cc16.c18ccc(C)nc14.c17nc8no1.CO5.O4C.O6C |
33105 | COc1nc(C)ccc1-c1noc(-c2ccc(C)cc2)n1 | [C][O][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=N][O][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring1][N] | c13nc(C)ccc14.c15ccc(C)cc1.c14noc5n1.CO3 |
33106 | COc1nc(C)ccc1-c1noc(-c2cccc(C)c2)n1 | [C][O][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=N][O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][Ring1][N] | c13nc(C)ccc14.c15cccc(C)c1.c14noc5n1.CO3 |
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