ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
9808 | O=C(c1ccc(Br)cc1)N1CCCCCC1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][C][C][C][C][Ring1][#Branch1] | c13ccc(Br)cc1.N12CCCCCC1.O=C23 |
9810 | Cc1noc(C)c1C(=O)Nc1ccc2c(c1)C(=O)OC2 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1] | c14ccc2c(c1)C(=O)OC2.Cc1noc(C)c15.C35=O.N34 |
9811 | O=C(Nc1ccc2c(c1)C(=O)OC2)c1ccc(F)cc1F | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c14ccc2c(c1)C(=O)OC2.c15ccc(F)cc1F.O=C35.N34 |
9814 | O=C(NCc1ccsc1)c1ccc2c(c1)CCO2 | [O][=C][Branch1][#Branch2][N][C][C][C][=C][S][C][=Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1] | c15ccc2c(c1)CCO2.c16ccsc1.O=C35.N34.C46 |
9815 | O=C(OCCn1ncc2ccccc2c1=O)c1ccc2c(c1)CCO2 | [O][=C][Branch2][Ring1][Ring1][O][C][C][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1] | n16ncc2ccccc2c1=O.c15ccc2c(c1)CCO2.O=C35.C4C6.O34 |
9816 | O=C(NCc1ccco1)Nc1ccc(OC(F)(F)F)cc1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] | c16ccc4cc1.c17ccco1.O4C(F)(F)F.O=C23.N25.C57.N36 |
9824 | Cc1ccc(C(=O)CNC(=O)c2ccc(C)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5cc1.c16ccc(C)cc1.C5(=O)C4.C36=O.N34 |
9825 | COc1ccc(C(=O)NCC(=O)c2ccc(Br)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c14ccc6cc1.c17ccc(Br)cc1.C5C7=O.C36=O.CO4.N35 |
9826 | O=C(NCc1ccc2c(c1)OCO2)NC1CCCCC1 | [O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][C][C][C][C][Ring1][=Branch1] | c17ccc2c(c1)OCO2.C16CCCCC1.O=C34.N35.C57.N46 |
9827 | Cc1nc(-c2ccc(NC(=O)c3cccs3)cc2)cs1 | [C][C][=N][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C][=C][S][Ring2][Ring1][Ring1] | c17ccc5cc1.Cc1nc7cs1.c16cccs1.C46=O.N45 |
9828 | Cc1nc(-c2ccc(NC(=O)c3ccco3)cc2)cs1 | [C][C][=N][C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][=C][S][Ring2][Ring1][Ring1] | c17ccc5cc1.Cc1nc7cs1.c16ccco1.C46=O.N45 |
9830 | Nc1nc(-c2ccc3c(c2)OCCCO3)cc(C(F)(F)F)n1 | [N][C][=N][C][Branch2][Ring1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Branch1] | c15ccc2c(c1)OCCCO2.Nc1nc4cc5n1.C4(F)(F)F |
9831 | COC(=O)c1cc(OC)c(OC)cc1N(C)S(C)(=O)=O | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O] | c17cc3c4cc16.S5(C)(=O)=O.C27=O.N56C.CO2.O3C.O4C |
9833 | Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc2c(c1)OCCO2 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.Cc1nn6nc15.c16ccccc1.C35=O.N34 |
9834 | O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2ccccn2)s1 | [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][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring1][O] | c14ccc2c(c1)OCCO2.c15ccc6s1.c16ccccn1.O=C35.N34 |
9835 | O=C(NCc1cc(F)cc2c1OCOC2)c1ccc2nonc2c1 | [O][=C][Branch2][Ring1][Ring2][N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][O][C][Ring1][=Branch1][C][C][=C][C][=N][O][N][=C][Ring1][Branch1][C][=Ring1][=Branch2] | c16cc(F)cc2c1OCOC2.c15ccc2nonc2c1.O=C35.N34.C46 |
9836 | O=C(NCc1cc(F)cc2c1OCOC2)c1ccno1 | [O][=C][Branch2][Ring1][Ring2][N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][O][C][Ring1][=Branch1][C][=C][C][=N][O][Ring1][Branch1] | c16cc(F)cc2c1OCOC2.c15ccno1.O=C35.N34.C46 |
9837 | Cc1nnsc1C(=O)NCc1cc(F)cc2c1OCOC2 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][O][C][Ring1][=Branch1] | c16cc(F)cc2c1OCOC2.Cc1nnsc15.C35=O.N34.C46 |
9838 | Cc1noc(C)c1C(=O)NCc1cc(F)cc2c1OCOC2 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][O][C][Ring1][=Branch1] | c16cc(F)cc2c1OCOC2.Cc1noc(C)c15.C35=O.N34.C46 |
9839 | Cc1cc(NC(=O)c2ccccc2)n(-c2ccccc2)n1 | [C][C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Ring2] | Cc1cc4n6n1.c15ccccc1.c16ccccc1.C35=O.N34 |
9840 | Cc1nc(S(=O)(=O)NCc2cc(F)cc3c2OCOC3)cn1C | [C][C][=N][C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][O][C][Ring1][=Branch1][=C][N][Ring2][Ring1][Branch1][C] | c16cc(F)cc2c1OCOC2.Cc1nc(S5(=O)=O)cn1C.N45.C46 |
9841 | Cc1noc(C)c1S(=O)(=O)NCc1cc(F)cc2c1OCOC2 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][O][C][Ring1][=Branch1] | c15cc(F)cc2c1OCOC2.Cc1noc(C)c1S4(=O)=O.N34.C35 |
9844 | COc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | c18ccc2c(c1)OCCO2.c16ccc7cc1.C5C4=O.CO6.O57.N48 |
9845 | Cc1cc(OCC(=O)Nc2ccc3c(c2)OCCO3)ccc1Cl | [C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][C][=C][Ring2][Ring1][Branch1][Cl] | c17ccc2c(c1)OCCO2.Cc1cc6ccc1Cl.C5C4=O.O56.N47 |
9846 | O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 | [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][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.c15ccc(Cl)cc1.O=C35.N34 |
9848 | CCCc1cnc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)nc1 | [C][C][C][C][=C][N][=C][Branch2][Ring1][O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring1][S][N][=C][Ring2][Ring1][=Branch1] | c18cnc6nc1.N16CCN4CC1.c17ccc5cc1.CCC8.C47=O.O5C |
9849 | O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1Cl | [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][=C][Ring1][=Branch1][Cl] | c14ccc2c(c1)OCCO2.c15ccccc1Cl.O=C35.N34 |
9850 | O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Br)cc1 | [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][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.c15ccc(Br)cc1.O=C35.N34 |
9851 | Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 | [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][=C][Ring2][Ring1][Ring1] | c15ccc2c(c1)OCCO2.Cc1ccc6cc1.C46=O.N45 |
9852 | CCOc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c16ccc2c(c1)OCCO2.c15ccccc17.C37=O.CC4.O45.N36 |
9853 | CS(=O)(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c16ccc7cc1.C14CCCCC1.CS5(=O)=O.C37=O.N56.O34 |
9855 | COc1ccc(Cl)cc1NC(=O)NCCN1CCNC1=O | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][N][C][C][N][C][Ring1][Branch1][=O] | c14ccc(Cl)cc16.N17CCNC1=O.C23=O.C5C7.CO4.N26.N35 |
9856 | CSc1cccc(NC(=O)NCCN2CCNC2=O)c1 | [C][S][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][N][C][C][N][C][Ring1][Branch1][=O][=C][Ring2][Ring1][C] | c18cccc6c1.N17CCNC1=O.C34=O.C5C7.CS8.N36.N45 |
9858 | Cn1cnc(S(=O)(=O)Nc2ccc3c(c2)C(=O)OC3)c1 | [C][N][C][=N][C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c15ccc2c(c1)C(=O)OC2.Cn1cnc(S4(=O)=O)c1.N45 |
9859 | CCOc1ccc(OCC(=O)N2CCOCC2)cc1 | [C][C][O][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][S] | c16ccc7cc1.N13CCOCC1.C5C3=O.CC4.O46.O57 |
9860 | CCOc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | c19ccc2c(c1)OCCO2.c17ccc8cc1.C6C4=O.CC5.O57.O68.N49 |
9861 | CCOc1ccc(OCC(=O)NCc2ccco2)cc1 | [C][C][O][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][P] | c16ccc7cc1.c19ccco1.C5C3=O.CC4.O46.O57.N38.C89 |
9862 | CCOc1ccc(OCC(=O)NC(C)c2ccccc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c16ccc7cc1.c19ccccc1.C5C3=O.C89C.CC4.O46.O57.N38 |
9864 | CCOc1ccc(OCC(=O)Nc2cccc(F)c2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c16ccc7cc1.c18cccc(F)c1.C5C3=O.CC4.O46.O57.N38 |
9865 | Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C2CC2)s1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2] | Cc1onc7c15.c17ccccc1.c14nnc6s1.C35=O.C16CC1.N34 |
9867 | Cc1cnc(NS(=O)(=O)c2cn(C)cn2)c(Br)c1 | [C][C][=C][N][=C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][C][Branch1][C][Br][=C][Ring1][P] | S3(=O)(=O)c1cn(C)cn1.Cc1cnc4c(Br)c1.N34 |
9868 | CCCc1c(C(=O)Nc2cc(C)on2)cnn1-c1ccccc1 | [C][C][C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=N][N][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16c5cnn17.c14cc(C)on1.c17ccccc1.CCC6.C35=O.N34 |
9869 | O=C(Oc1ccccc1N1CCOCC1)c1cccs1 | [O][=C][Branch2][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1] | c13ccccc14.N14CCOCC1.c15cccs1.O=C25.O23 |
9872 | Cn1nc(C(C)(C)C)cc1C(=O)NCc1ccc2c(c1)OCO2 | [C][N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c17ccc2c(c1)OCO2.Cn1nc6cc15.C6(C)(C)C.C35=O.N34.C47 |
9875 | Nc1nccc(-c2nn(-c3ccc(F)cc3)ccc2=O)n1 | [N][C][=N][C][=C][C][Branch2][Ring1][#Branch1][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O][=N][Ring2][Ring1][Ring2] | c15nn4ccc1=O.Nc1nccc5n1.c14ccc(F)cc1 |
9876 | Nc1nccc(-c2nn(-c3ccc(Cl)cc3)ccc2=O)n1 | [N][C][=N][C][=C][C][Branch2][Ring1][#Branch1][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][Ring1][=N][=O][=N][Ring2][Ring1][Ring2] | c15nn4ccc1=O.Nc1nccc5n1.c14ccc(Cl)cc1 |
9877 | O=C1c2ccccc2NS(=O)(=O)N1Cc1ccccc1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C1c2ccccc2NS(=O)(=O)N13.c14ccccc1.C34 |
9878 | CCCc1c(C(=O)Nc2nc[nH]n2)cnn1-c1ccccc1 | [C][C][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][N][=C][NH1][N][=Ring1][Branch1][C][=N][N][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16c5cnn17.c17ccccc1.c14nc[nH]n1.CCC6.C35=O.N34 |
9879 | COc1cccc2c1c(NC(=O)Nc1ccc(F)cc1F)nn2C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][N][Ring1][P][C] | c15cccc2c1c6nn2C.c17ccc(F)cc1F.C34=O.CO5.N36.N47 |
9880 | COc1ccccc1NC(=O)Nc1nn(C)c2cccc(OC)c12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=N][N][Branch1][C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][N][Ring1][Branch2] | c17nn(C)c2cccc6c12.c15ccccc18.C34=O.CO5.N38.N47.O6C |
9882 | NC(=O)C1CCN(C(=O)Nc2cc3ccccc3s2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring2][Ring1][C] | c16cc2ccccc2s1.C17CCN4CC1.NC7=O.C45=O.N56 |
9883 | O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(F)c(Cl)c1 | [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][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | O=S4(=O)c1ccc(F)c(Cl)c1.c15ccc2c(c1)OCO2.N34.C35 |
9885 | Cn1cnc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 | [C][N][C][=N][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][Ring2][Ring1][Ring1] | Cn1cnc(S5(=O)=O)c1.c16ccc2c(c1)OCO2.N45.C46 |
9886 | O=S(=O)(NCc1ccc2c(c1)OCO2)c1cccc2nonc12 | [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][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1] | O=S4(=O)c1cccc2nonc12.c15ccc2c(c1)OCO2.N34.C35 |
9887 | O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccccc1 | [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] | O=S4(=O)c1ccccc1.c15ccc2c(c1)OCO2.N34.C35 |
9888 | CC1=C(C(=O)OC(C)C)C(c2ccccc2F)n2ncnc2N1 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][N][=C][N][=C][Ring1][Branch1][N][Ring2][Ring1][=Branch1] | CC1=C(C3=O)C(c2ccccc2F)n2ncnc2N1.C4(C)C.O34 |
9890 | O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCC2 | [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][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][Ring1][=Branch1] | O=S4(=O)c1ccc2c(c1)OCC2.c15ccc2c(c1)OCO2.N34.C35 |
9891 | CC1=C(C(=O)OC(C)C)C(c2cccc(Cl)c2)n2ncnc2N1 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][N][=C][N][=C][Ring1][Branch1][N][Ring2][Ring1][=Branch1] | CC1=C(C3=O)C(c2cccc(Cl)c2)n2ncnc2N1.C4(C)C.O34 |
9892 | CC1=C(C(=O)OC(C)C)C(c2ccccc2Cl)n2ncnc2N1 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][N][=C][N][=C][Ring1][Branch1][N][Ring2][Ring1][=Branch1] | CC1=C(C3=O)C(c2ccccc2Cl)n2ncnc2N1.C4(C)C.O34 |
9893 | Cc1cnc(NC(=O)c2ccccc2)c(Br)c1 | [C][C][=C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Br][=C][Ring1][S] | Cc1cnc4c(Br)c1.c15ccccc1.C35=O.N34 |
9894 | COc1ccc(C2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c16ccc(C2C(C4=O)=C(C)Nc3ncnn32)cc1.C5(C)C.CO6.O45 |
9895 | CCOc1ccc(C2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=N][C][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c17ccc(C2C(C4=O)=C(C)Nc3ncnn32)cc1.C6(C)C.CC5.O57.O46 |
9896 | COc1cc(C2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)ccc1O | [C][O][C][=C][C][Branch2][Ring1][=N][C][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][Ring1][S][=C][C][=C][Ring2][Ring1][=Branch1][O] | c16cc(C2C(C4=O)=C(C)Nc3ncnn32)ccc1O.C5(C)C.CO6.O45 |
9897 | Cc1ccsc1CNC(=O)Nc1ccc(F)cc1 | [C][C][C][=C][S][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.Cc1ccsc16.C23=O.C46.N24.N35 |
9898 | CC1=C(C(=O)OC(C)C)C(c2ccc(C)cc2)n2ncnc2N1 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][N][=C][N][=C][Ring1][Branch1][N][Ring2][Ring1][=Branch1] | CC1=C(C3=O)C(c2ccc(C)cc2)n2ncnc2N1.C4(C)C.O34 |
9899 | Cc1ccsc1CNS(=O)(=O)c1ccc(F)cc1 | [C][C][C][=C][S][C][=Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(F)cc1.Cc1ccsc14.C24.N23 |
9900 | Cc1ccc(S(=O)(=O)NCc2sccc2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][S][C][=C][C][=Ring1][Branch1][C][C][=C][Ring1][P] | Cc1ccc(S4(=O)=O)cc1.c15sccc1C.N34.C35 |
9901 | Cc1ccsc1CNS(=O)(=O)c1ccccc1 | [C][C][C][=C][S][C][=Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.Cc1ccsc14.C24.N23 |
9902 | COc1ccccc1C1C(C(=O)OC(C)C)=C(C)Nc2ncnn21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][Branch1][C][C][N][C][=N][C][=N][N][Ring1][Branch1][Ring1][S] | c15ccccc1C1C(C3=O)=C(C)Nc2ncnn21.C4(C)C.CO5.O34 |
9904 | Cc1ccsc1CNS(=O)(=O)c1ccc2c(c1)CCO2 | [C][C][C][=C][S][C][=Ring1][Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1] | S4(=O)(=O)c1ccc2c(c1)CCO2.Cc1ccsc15.C35.N34 |
9905 | CC1=C(C(=O)OC(C)C)C(c2cccc(O)c2)n2ncnc2N1 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][N][=C][N][=C][Ring1][Branch1][N][Ring2][Ring1][=Branch1] | CC1=C(C3=O)C(c2cccc(O)c2)n2ncnc2N1.C4(C)C.O34 |
9906 | Cc1ccsc1CNC(=O)c1ccc(Cl)cc1 | [C][C][C][=C][S][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.Cc1ccsc15.C24=O.C35.N23 |
9907 | CCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccccc2)c1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P] | CCS(=O)(=O)c1ccc(O)c5c1.c16ccccc1.C34=O.N35.N46 |
9908 | CCc1ccc(C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c15ccc(C)c6c1.c18ccc7cc1.S4(C)(=O)=O.C37=O.CC8.N35.N46 |
9909 | Cc1ccc(NC(=O)c2ccsc2)cc1NS(C)(=O)=O | [C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][=C][Ring1][=C][N][S][Branch1][C][C][=Branch1][C][=O][=O] | Cc1ccc5cc16.c17ccsc1.S4(C)(=O)=O.C37=O.N35.N46 |
9910 | Cc1nnsc1C(=O)Nc1ccc2c(c1)OCCO2 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.Cc1nnsc15.C35=O.N34 |
9911 | O=c1[nH]ncc(NCc2ccccc2)c1Br | [O][=C][NH1][N][=C][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][Br] | O=c1[nH]ncc4c1Br.c15ccccc1.N34.C35 |
9912 | O=c1c(Br)c(N2CCOCC2)cnn1-c1ccccc1 | [O][=C][C][Branch1][C][Br][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=N][N][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1c(Br)c3cnn14.N13CCOCC1.c14ccccc1 |
9914 | O=c1c(Br)c(N2CCCCC2)cnn1-c1ccccc1 | [O][=C][C][Branch1][C][Br][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=N][N][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1c(Br)c3cnn14.N13CCCCC1.c14ccccc1 |
9915 | O=C(Nc1ccc2c(c1)OCCO2)c1ccc2nonc2c1 | [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][=N][O][N][=C][Ring1][Branch1][C][=Ring1][=Branch2] | c14ccc2c(c1)OCCO2.c15ccc2nonc2c1.O=C35.N34 |
9916 | Cn1nc(C(C)(C)C)cc1C(=O)NCc1cc(F)cc2c1OCOC2 | [C][N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][O][C][Ring1][=Branch1] | c17cc(F)cc2c1OCOC2.Cn1nc6cc15.C6(C)(C)C.C35=O.N34.C47 |
9917 | COc1ccc(C(=O)Cn2c(=O)oc3ccc(C)cc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | n16c(=O)oc2ccc(C)cc21.c14ccc5cc1.C5(=O)C6.CO4 |
9918 | O=c1c(Br)c(Br)cnn1-c1ccccc1 | [O][=C][C][Branch1][C][Br][=C][Branch1][C][Br][C][=N][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1c(Br)c(Br)cnn12.c12ccccc1 |
9919 | Cn1cnc(S(=O)(=O)NCc2csc3ccc(Cl)cc23)c1 | [C][N][C][=N][C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | c16csc2ccc(Cl)cc12.Cn1cnc(S5(=O)=O)c1.N45.C46 |
9921 | O=C(NCc1csc2ccc(Cl)cc12)c1ccno1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][=C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][=C][C][=N][O][Ring1][Branch1] | c16csc2ccc(Cl)cc12.c15ccno1.O=C35.N34.C46 |
9922 | O=C(CSc1ccc(F)cc1)NCc1ccc2c(c1)OCO2 | [O][=C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c17ccc(F)cc1.O=C3C5.S57.N34.C46 |
9926 | O=C(NCc1ccco1)Nc1sccc1-n1cccc1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][N][C][S][C][=C][C][=Ring1][Branch1][N][C][=C][C][=C][Ring1][Branch1] | c15sccc17.c16ccco1.n17cccc1.O=C23.N24.C46.N35 |
9927 | CCOC(=O)c1sc2ncnc(NCc3ccccc3)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][=Ring1][P][C] | c18sc2ncnc7c2c1C.c19ccccc1.C48=O.CC5.O45.N67.C69 |
9928 | CCOC(=O)c1sc2ncnc(NCC(C)C)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][Branch1][Branch2][N][C][C][Branch1][C][C][C][=C][Ring1][O][C][=Ring1][=C][C] | c17sc2ncnc6c2c1C.C5C(C)C.C37=O.CC4.O34.N56 |
9930 | CCOC(=O)c1sc2ncnc(N3CCCCC3)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][N][C][=Ring1][#C][C] | c17sc2ncnc6c2c1C.N16CCCCC1.C47=O.CC5.O45 |
9931 | CCOC(=O)c1sc2ncnc(N3CCC(C)CC3)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][Branch1][N][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring1][=N][C][=Ring1][S][C] | c17sc2ncnc6c2c1C.N16CCC(C)CC1.C47=O.CC5.O45 |
9932 | CC1CCc2c(sc3ncn(CC(=O)N4CCCC4)c(=O)c23)C1 | [C][C][C][C][C][=C][Branch2][Ring1][=C][S][C][N][=C][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][C][=Ring1][#C][C][Ring2][Ring1][=Branch1] | CC1CCc2c(sc3ncn6c(=O)c23)C1.N15CCCC1.C6C5=O |
9933 | Cc1sc2ncn(CC(=O)N3CCCC3)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][=Ring1][#C][C][=Ring2][Ring1][C][C] | Cc1sc2ncn5c(=O)c2c1C.N14CCCC1.C5C4=O |
9934 | O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCCC1 | [O][=C][Branch2][Ring1][#Branch2][C][N][C][=N][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Ring1][O][C][Ring1][#C][=O][N][C][C][C][C][Ring1][Branch1] | n15cnc2sc6cc2c1=O.c16ccccc1.N14CCCC1.O=C4C5 |
9935 | COC(=O)c1sc2ncn(CC(=O)N3CCCC3)c(=O)c2c1C | [C][O][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][=Ring1][#C][C][=Ring2][Ring1][C][C] | c16sc2ncn7c(=O)c2c1C.N15CCCC1.C7C5=O.C46=O.CO4 |
9936 | COc1ccc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Ring1][O][=O][C][=C][Ring2][Ring1][=Branch1] | n17cnc2sc(C)c(C)c2c1=O.c15ccc6cc1.C4(=O)C7.CO5.N46 |
9937 | Cc1ccsc1CNC(=O)c1sccc1Cl | [C][C][C][=C][S][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][Cl] | Cc1ccsc15.c14sccc1Cl.C24=O.C35.N23 |
9938 | Cc1sc2ncn(CC(=O)NCCc3ccccc3)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring1][C][=Ring2][Ring1][=Branch1][C] | Cc1sc2ncn6c(=O)c2c1C.c17ccccc1.C6C4=O.C5C7.N45 |
9939 | Cc1ccsc1CNC(=O)c1c(-c2ccccc2)noc1C | [C][C][C][=C][S][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C] | c15c7noc1C.Cc1ccsc16.c17ccccc1.C35=O.C46.N34 |
9940 | COc1ccc(-n2ncc(C(=O)NCc3sccc3C)c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][N][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][S][C][=C][C][=Ring1][Branch1][C][=C][Ring1][#C][C][C][=C][Ring2][Ring1][=Branch1] | c15ccc9cc1.n19ncc7c1C.c18sccc1C.C47=O.CO5.N46.C68 |
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