ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
810 | CC(Oc1ccccc1)C(=O)N(C)Cc1ccccc1 | [C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1.c16ccccc1.CC3C2=O.N25C.O34.C56 |
811 | CC(Oc1ccccc1)C(=O)N1CCc2ccccc2C1 | [C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c15ccccc1.CC4C3=O.O45 |
812 | CC(=O)Nc1cccc(NC(=O)C(C)Oc2ccccc2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | c17cccc8c1.c16ccccc1.C4(=O)C5C.CC3=O.N37.N48.O56 |
813 | CCN(C(=O)COc1ccccc1)c1ccccc1 | [C][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1.c16ccccc1.C2(=O)C3.N256.CC5.O34 |
814 | NS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | NS(=O)(=O)c1ccc7cc1.c15ccccc1.C3(=O)C4.C67.N36.O45 |
816 | CCOC(=O)C1CCCN(C(=O)c2ccccc2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | C16CCCN4C1.c17ccccc1.C36=O.C47=O.CC5.O35 |
817 | COCC(C)NC(=O)c1ccc(Br)cc1 | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c15ccc(Br)cc1.C3C4C.C25=O.CO3.N24 |
818 | Cc1cc(NC(=O)c2ccc(Br)cc2)no1 | [C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][O][Ring1][#C] | c15ccc(Br)cc1.Cc1cc4no1.C35=O.N34 |
819 | Cc1cc(C)nc(NC(=O)c2ccc(Cl)cc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][P] | Cc1cc(C)nc4n1.c15ccc(Cl)cc1.C35=O.N34 |
820 | CCOC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][#C] | C16CCCN4C1.c17ccc(Cl)cc1.C36=O.C47=O.CC5.O35 |
821 | COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | C15CCN4CC1.c16ccc(Cl)cc1.C35=O.C46=O.CO3 |
823 | Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)no1 | [C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][O][Ring1][S] | c15ccc(Cl)cc1Cl.Cc1cc4no1.C35=O.N34 |
824 | COCC(C)NC(=O)c1ccccc1Br | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c15ccccc1Br.C3C4C.C25=O.CO3.N24 |
825 | CCOC(=O)C1CCCN(C(=O)c2ccccc2Br)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][Ring1][#C] | C16CCCN4C1.c17ccccc1Br.C36=O.C47=O.CC5.O35 |
826 | CCOC(=O)C1CCCN(C(=O)c2cccc(C)c2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring1][#C] | C16CCCN4C1.c17cccc(C)c1.C36=O.C47=O.CC5.O35 |
827 | COC(=O)C1CCN(C(=O)c2cccc(C)c2)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | C15CCN4CC1.c16cccc(C)c1.C35=O.C46=O.CO3 |
828 | CCOC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C] | S5(=O)(=O)c1ccccc1.C16CCCN5C1.C36=O.CC4.O34 |
829 | Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S5(=O)=O)cc1.c16ccc2c(c1)OCO2.N45.C46 |
830 | COCC(C)NS(=O)(=O)c1c(C)cc(C)cc1C | [C][O][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C] | S4(=O)(=O)c1c(C)cc(C)cc1C.C2C3C.CO2.N34 |
831 | CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][S] | S5(=O)(=O)c1ccc(F)cc1.C16CCCN5C1.C36=O.CC4.O34 |
832 | COCC(C)NS(=O)(=O)c1cc(Cl)ccc1Cl | [C][O][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | S4(=O)(=O)c1cc(Cl)ccc1Cl.C2C3C.CO2.N34 |
833 | COCC(C)NS(=O)(=O)c1ccc(NC(C)=O)cc1 | [C][O][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | S5(=O)(=O)c1ccc6cc1.C3C4C.C2(C)=O.CO3.N45.N26 |
834 | NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(Cl)c2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | NS(=O)(=O)c1ccc6cc1.c15cccc(Cl)c1.C6C4.C35=O.N34 |
836 | CCOC(=O)C1CCCN(C(=O)c2cccc(Cl)c2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring1][#C] | C16CCCN4C1.c17cccc(Cl)c1.C36=O.C47=O.CC5.O35 |
837 | CCOC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][#C] | C16CCCN4C1.c17ccc(F)cc1.C36=O.C47=O.CC5.O35 |
838 | CCOC(=O)c1cccc(NS(=O)(=O)Cc2ccccc2)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P] | c17cccc6c1.c18ccccc1.S5(=O)(=O)C8.C37=O.CC4.O34.N56 |
840 | CCOC(=O)C1CCCN(C(=O)c2cccc(Br)c2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][Ring1][#C] | C16CCCN4C1.c17cccc(Br)c1.C36=O.C47=O.CC5.O35 |
841 | COC(=O)C1CCN(C(=O)c2cccc(Br)c2)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C][Ring1][#C] | C15CCN4CC1.c16cccc(Br)c1.C35=O.C46=O.CO3 |
842 | COCC(C)NC(=O)c1ccc(Cl)c(Cl)c1 | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(Cl)c(Cl)c1.C3C4C.C25=O.CO3.N24 |
843 | CCOC(=O)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][S] | c17ccc(Cl)c(Cl)c1.C16CCCN4C1.C36=O.C47=O.CC5.O35 |
844 | COc1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][N][Branch1][C][C][C][Branch1][C][C][=O][C][=C][Ring1][O][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c15ccc9c6c1.c17ccc8cc1.C39=O.N48C.C4(C)=O.CO5.N37.O6C |
845 | COc1ccc(C(=O)Nc2cc(C)on2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring1][P] | c14ccc7c5c1.c16cc(C)on1.C37=O.CO4.N36.O5C |
847 | COC(=O)c1sccc1NC(=O)c1ccc2c(c1)OCO2 | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c17ccc2c(c1)OCO2.c16sccc15.C36=O.C47=O.CO3.N45 |
848 | Cn1cc(Br)c(C(=O)Nc2ccccn2)n1 | [C][N][C][=C][Branch1][C][Br][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][#C] | Cn1cc(Br)c5n1.c14ccccn1.C35=O.N34 |
851 | NC(=O)CSc1nc2c(c(=O)n1-c1ccccc1)C1=C(CCC1)C2 | [N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][S][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][=Branch1][C][C][C][Ring1][Branch1][C][Ring1][P] | c15nc2c(c(=O)n14)C1=C(CCC1)C2.c14ccccc1.NC(=O)C3.S35 |
852 | COc1ccc(NC(=O)c2cccs2)cc1OC | [C][O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C][O][C] | c14ccc6cc15.c17cccs1.C37=O.CO4.N36.O5C |
854 | COc1cc(CNC(=O)c2cccs2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c14cc9cc5c16.c18cccs1.C38=O.CO4.C79.N37.O5C.O6C |
855 | Cc1cccc(C(=O)Nc2ccc3ncccc3c2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | c15ccc2ncccc2c1.Cc1cccc6c1.C46=O.N45 |
856 | CCC(=O)N1c2ccccc2C(N(C(C)=O)c2ccccc2)CC1C | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][P][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2][C] | N13c2ccccc2C(N45)CC1C.c15ccccc1.CCC3=O.C4(C)=O |
859 | O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccncc1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Cl][C][=C][C][=N][C][=C][Ring1][=Branch1] | c13cc5ccc1Cl.c14ccncc1.C5(F)(F)F.O=C24.N23 |
860 | Cc1ccc(NC(=O)CSc2ccccn2)cc1C | [C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P][C] | Cc1ccc5cc1C.c16ccccn1.C3(=O)C4.N35.S46 |
861 | Cc1ccc(NC(=O)CSc2nncn2C)cc1C | [C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=C][Ring1][P][C] | Cc1ccc5cc1C.c16nncn1C.C3(=O)C4.N35.S46 |
862 | O=C(CSc1ccccn1)Nc1ccc(F)c(Cl)c1 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14ccc(F)c(Cl)c1.c15ccccn1.O=C2C3.S35.N24 |
863 | O=C(CSc1ccccn1)Nc1cccc(C(F)(F)F)c1 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | c14cccc5c1.c16ccccn1.O=C2C3.C5(F)(F)F.S36.N24 |
864 | Cc1ccc(F)cc1NC(=O)CSc1nnnn1C | [C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C] | Cc1ccc(F)cc14.c15nnnn1C.C2(=O)C3.N24.S35 |
865 | Cn1nnnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14ccc(Cl)c(Cl)c1.Cn1nnnc15.C3C2=O.S35.N24 |
866 | O=C(CSc1ccccn1)Nc1ccccc1Br | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c14ccccc1Br.c15ccccn1.O=C2C3.S35.N24 |
867 | Cn1nnnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | c14cccc5c1.Cn1nnnc16.C3C2=O.C5(F)(F)F.S36.N24 |
868 | Cn1nnnc1SCC(=O)Nc1ccc(F)c(Cl)c1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14ccc(F)c(Cl)c1.Cn1nnnc15.C3C2=O.S35.N24 |
869 | COc1ccc(Cl)cc1NC(=O)CSc1ccccn1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1] | c13ccc(Cl)cc15.c16ccccn1.C2(=O)C4.CO3.N25.S46 |
870 | Cc1ccc(NC(=O)CSc2nncn2C)cc1 | [C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=C][Ring1][P] | Cc1ccc5cc1.c16nncn1C.C3(=O)C4.N35.S46 |
871 | Cc1cccc(NC(=O)CSc2ccccn2)c1C | [C][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][P][C] | Cc1cccc5c1C.c16ccccn1.C3(=O)C4.N35.S46 |
872 | COc1ccc(C)cc1NC(=O)CSc1ccccn1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1] | c13ccc(C)cc15.c16ccccn1.C2(=O)C4.CO3.N25.S46 |
873 | CCC(C)c1ccc(NC(=O)CSc2nnnn2C)cc1 | [C][C][C][Branch1][C][C][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] | c16ccc5cc1.c17nnnn1C.CCC6C.C3(=O)C4.N35.S47 |
874 | CCC(C)c1ccc(NC(=O)CSc2nncn2C)cc1 | [C][C][C][Branch1][C][C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=C][Ring1][P] | c16ccc5cc1.c17nncn1C.CCC6C.C3(=O)C4.N35.S47 |
875 | Cn1ccnc1SCC(=O)Nc1ccccc1C#N | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N] | c14ccccc1C#N.Cn1ccnc15.C3C2=O.S35.N24 |
876 | CCOc1ccc(NC(=O)CSc2nnc(C)s2)cc1 | [C][C][O][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][=C][Ring1][P] | c15ccc7cc1.c18nnc(C)s1.C3(=O)C6.CC4.O45.N37.S68 |
877 | O=C(CSc1ncccn1)Nc1cccc(Cl)c1 | [O][=C][Branch1][O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c14cccc(Cl)c1.c15ncccn1.O=C2C3.S35.N24 |
878 | Cn1cnnc1SCC(=O)Nc1cccc(Cl)c1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c14cccc(Cl)c1.Cn1cnnc15.C3C2=O.S35.N24 |
879 | O=C(CSc1nnnn1-c1ccccc1)Nc1cccc(Cl)c1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c14cccc(Cl)c1.c16nnnn15.c15ccccc1.O=C2C3.S36.N24 |
881 | Cc1cc(C)cc(NC(=O)CSc2nnc(C)s2)c1 | [C][C][=C][C][Branch1][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][Ring2][Ring1][C] | Cc1cc5cc(C)c1.c16nnc(C)s1.C3(=O)C4.N35.S46 |
882 | Cc1cc(C)cc(NC(=O)CSc2nncn2C)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][Ring2][Ring1][C] | Cc1cc5cc(C)c1.c16nncn1C.C3(=O)C4.N35.S46 |
883 | Cc1cc(C)cc(NC(=O)CSc2nnnn2-c2ccccc2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | Cc1cc5cc(C)c1.c17nnnn16.c16ccccc1.C3(=O)C4.N35.S47 |
884 | Cc1cc(C)cc(NC(=O)CSc2ccccn2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1cc5cc(C)c1.c16ccccn1.C3(=O)C4.N35.S46 |
885 | O=C(CSc1ccccn1)Nc1ccc(F)cc1 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc(F)cc1.c15ccccn1.O=C2C3.S35.N24 |
886 | Cn1ccnc1SCC(=O)Nc1ccc(F)cc1 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc(F)cc1.Cn1ccnc15.C3C2=O.S35.N24 |
887 | Cn1cnnc1SCC(=O)Nc1ccc(F)cc1 | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc(F)cc1.Cn1cnnc15.C3C2=O.S35.N24 |
889 | Cc1nnc(SCC(=O)Nc2ccc(F)cc2F)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][S][Ring2][Ring1][C] | c15ccc(F)cc1F.Cc1nnc6s1.C4C3=O.S46.N35 |
890 | Cc1cc(C)nc(SCC(=O)Nc2ccc(F)cc2F)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][Ring2] | Cc1cc(C)nc6n1.c15ccc(F)cc1F.C4C3=O.S46.N35 |
891 | COc1ccc(NC(=O)CSc2nncn2C)cc1 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=C][Ring1][P] | c14ccc6cc1.c17nncn1C.C3(=O)C5.CO4.N36.S57 |
892 | COc1ccc(NC(=O)CSc2nnc(C)s2)cc1 | [C][O][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][=C][Ring1][P] | c14ccc6cc1.c17nnc(C)s1.C3(=O)C5.CO4.N36.S57 |
893 | COc1ccc(NC(=O)CSc2ncccn2)cc1 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P] | c14ccc6cc1.c17ncccn1.C3(=O)C5.CO4.N36.S57 |
894 | Cc1nc2ccccc2c(=O)n1-c1cc(F)ccc1F | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F] | Cc1nc2ccccc2c(=O)n13.c13cc(F)ccc1F |
895 | Cn1nnnc1SCC(=O)Nc1cc(F)ccc1F | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F] | c14cc(F)ccc1F.Cn1nnnc15.C3C2=O.S35.N24 |
897 | O=C(Cc1ccccc1)c1ccccc1C(=O)N1CCCCC1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c13ccccc14.c15ccccc1.N12CCCCC1.O=C3C5.C24=O |
898 | Cn1cnnc1SCC(=O)Nc1cc(F)ccc1F | [C][N][C][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F] | c14cc(F)ccc1F.Cn1cnnc15.C3C2=O.S35.N24 |
899 | O=C(Cc1ccccc1)c1ccccc1C(=O)N1CCOCC1 | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c13ccccc14.c15ccccc1.N12CCOCC1.O=C3C5.C24=O |
900 | Cc1ccc(NC(=O)CSc2ccccn2)cc1Cl | [C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P][Cl] | Cc1ccc5cc1Cl.c16ccccn1.C3(=O)C4.N35.S46 |
901 | O=C(CSc1ccc(F)cc1)Nc1ccc(F)cc1 | [O][=C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.c14ccc(F)cc1.O=C2C3.S35.N24 |
902 | Cc1cccc(NC(=O)CSc2nnnn2-c2ccccc2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][C] | Cc1cccc5c1C.c17nnnn16.c16ccccc1.C3(=O)C4.N35.S47 |
903 | Cc1cccc(NC(=O)CSc2nccn2C)c1C | [C][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][N][Ring1][Branch1][C][=C][Ring1][P][C] | Cc1cccc5c1C.c16nccn1C.C3(=O)C4.N35.S46 |
905 | CCOC(=O)C1CCCN(C(=O)c2ccc(C)c(C)c2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][Ring1][S] | c17ccc(C)c(C)c1.C16CCCN4C1.C36=O.C47=O.CC5.O35 |
906 | COC(=O)C1CCN(C(=O)c2ccc(C)c(C)c2)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][C][Ring1][S] | c16ccc(C)c(C)c1.C15CCN4CC1.C35=O.C46=O.CO3 |
908 | CCOC(=O)C1CCCN(C(=O)c2ccc(OCC)cc2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][C][Ring1][P] | C18CCCN4C1.c19ccc7cc1.C38=O.C49=O.CC5.O35.O67.C6C |
909 | CC(=O)N(C)c1ccc(NC(=O)c2ccco2)cc1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C] | c15ccc6cc1.c17ccco1.CC3=O.N35C.C47=O.N46 |
910 | Cc1cccc(N2CCN(C(=O)c3ccco3)CC2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][Ring1][C] | Cc1cccc5c1C.N15CCN4CC1.c16ccco1.C46=O |
911 | COc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] | c17ccc(S(N)(=O)=O)cc1.c14cccc6c1.C36=O.C5C7.CO4.N35 |
912 | COc1cccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][N][Branch1][C][C][C][Branch1][C][C][=O][C][=C][Ring1][O][=C][Ring2][Ring1][Ring2] | c15cccc8c1.c16ccc7cc1.C38=O.N47C.C4(C)=O.CO5.N36 |
913 | COC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][C][Ring1][S] | C16CCN4CC1.c17cccc5c1.C36=O.C47=O.CO3.O5C |
914 | Cc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)no1 | [C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=N][O][Ring2][Ring1][Ring2] | c16ccc7cc1.Cc1cc5no1.c17ccccc1.C46=O.N45 |
915 | COC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][Ring2][Ring1][Ring2] | C16CCN5CC1.c17ccc8cc1.c18ccccc1.C46=O.C57=O.CO4 |
918 | CCOC(=O)C1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Ring1][P] | C17CCCN4C1.c18ccc6cc1.C37=O.C48=O.N6(C)C.CC5.O35 |
919 | CC(=O)Nc1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][N][Branch1][C][C][C][Branch1][C][C][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c16ccc9cc1.c17ccc8cc1.CC3=O.C49=O.N58C.C5(C)=O.N36.N47 |
920 | COCC(C)NC(=O)c1ccc(OC(C)=O)cc1 | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c17ccc5cc1.C4C6C.C37=O.C2(C)=O.CO4.N36.O25 |
921 | CCOC(=O)C1CCCN(C(=O)c2ccc(OC(C)=O)cc2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][Ring2][Ring1][C] | C18CCCN5C1.c19ccc7cc1.C38=O.C59=O.C4(C)=O.CC6.O36.O47 |
922 | COC(=O)C1CCN(C(=O)c2ccc(OC(C)=O)cc2)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C] | C17CCN5CC1.c18ccc6cc1.C37=O.C58=O.C4(C)=O.CO3.O46 |
923 | CC(=O)Oc1ccc(C(=O)Nc2ccccc2Br)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][Ring1][S] | c15ccc7cc1.c16ccccc1Br.CC3=O.C47=O.O35.N46 |
924 | CC(=O)Oc1ccccc1C(=O)Nc1ccc(N(C)C(C)=O)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][N][Branch1][C][C][C][Branch1][C][C][=O][C][=C][Ring1][O] | c15ccccc18.c16ccc7cc1.CC2=O.C38=O.N47C.C4(C)=O.O25.N36 |
925 | CCOC(=O)C1CCCN(C(=O)c2ccccc2OC(C)=O)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][=O][C][Ring2][Ring1][C] | C18CCCN5C1.c19ccccc17.C38=O.C59=O.C4(C)=O.CC6.O36.O47 |
926 | COC(=O)C1CCN(C(=O)c2ccccc2OC(C)=O)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][=O][C][C][Ring2][Ring1][C] | C17CCN5CC1.c18ccccc16.C37=O.C58=O.C4(C)=O.CO3.O46 |
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