ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
6865 | Cc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1F | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][F] | S4(=O)(=O)c1cccc2cccnc12.Cc1ccc5cc1F.N45 |
6869 | COc1ccc(-c2nc(-c3ccccc3)no2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring1][P][O][C] | c14ccc6cc15.c16nc7no1.c17ccccc1.CO4.O5C |
6871 | Fc1ccc(-c2nc(-c3cnccn3)no2)c(Cl)c1 | [F][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][C][Branch1][C][Cl][=C][Ring2][Ring1][C] | Fc1ccc5c(Cl)c1.c15nc4no1.c14cnccn1 |
6872 | CCn1nc(C)c(Br)c1-c1nc(-c2ccccc2)no1 | [C][C][N][N][=C][Branch1][C][C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O] | n13nc(C)c(Br)c14.c14nc5no1.c15ccccc1.CC3 |
6873 | FC(F)(F)Oc1ccc(-c2noc(-c3ccno3)n2)cc1 | [F][C][Branch1][C][F][Branch1][C][F][O][C][=C][C][=C][Branch1][P][C][=N][O][C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][=N][Ring1][#Branch2][C][=C][Ring1][S] | c14ccc6cc1.c16noc5n1.FC(F)(F)O4.c15ccno1 |
6874 | FC(F)(F)c1ccc(-c2noc(-c3ccno3)n2)nc1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][P][C][=N][O][C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][=N][Ring1][#Branch2][N][=C][Ring1][S] | c14ccc5nc1.c15noc6n1.c16ccno1.FC4(F)F |
6875 | COc1ccc(-c2nc(-c3cccs3)no2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][C][=C][Ring1][S][O][C] | c14ccc7cc15.c17nc6no1.c16cccs1.CO4.O5C |
6877 | Cc1nc2c(Br)cc(Br)cc2c(=O)o1 | [C][C][=N][C][=C][Branch1][C][Br][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][Ring1][=N] | Cc1nc2c(Br)cc(Br)cc2c(=O)o1 |
6878 | Cc1n[nH]c(=O)nc1NCc1ccc(Cl)cc1Cl | [C][C][=N][NH1][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | Cc1n[nH]c(=O)nc13.c14ccc(Cl)cc1Cl.N23.C24 |
6879 | Cc1n[nH]c(=O)nc1Nc1ccccc1OC(C)C | [C][C][=N][NH1][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C] | Cc1n[nH]c(=O)nc14.c15ccccc13.C2(C)C.N45.O23 |
6880 | CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(C)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | C2(=O)C1=C(C)NC(=O)NC14.c14ccc(C)cc1.CC3.O23 |
6881 | Cc1n[nH]c(=O)nc1Nc1ccc(OC(C)C)cc1 | [C][C][=N][NH1][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2] | Cc1n[nH]c(=O)nc14.c15ccc3cc1.C2(C)C.N45.O23 |
6883 | COc1ccc(Nc2nc(=O)[nH]nc2C)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][=C][N][C][=N][C][=Branch1][C][=O][NH1][N][=C][Ring1][#Branch1][C][C][Branch1][Ring1][O][C][=C][Ring1][P] | c13ccc6c4c1.c15nc(=O)[nH]nc1C.CO3.N56.O4C |
6884 | COc1ccc(OC)c(Nc2nc(=O)[nH]nc2C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=C][N][C][=N][C][=Branch1][C][=O][NH1][N][=C][Ring1][#Branch1][C][=C][Ring1][P] | c13ccc4c6c1.c15nc(=O)[nH]nc1C.CO3.O4C.N56 |
6885 | Cc1n[nH]c(=O)nc1Nc1cc(Cl)cc(Cl)c1 | [C][C][=N][NH1][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] | Cc1n[nH]c(=O)nc12.c13cc(Cl)cc(Cl)c1.N23 |
6886 | Cc1n[nH]c(=O)nc1Nc1ccc(Cl)c(Cl)c1 | [C][C][=N][NH1][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | Cc1n[nH]c(=O)nc12.c13ccc(Cl)c(Cl)c1.N23 |
6888 | Cc1n[nH]c(=O)nc1Nc1ccc2c(c1)OCCO2 | [C][C][=N][NH1][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14ccc2c(c1)OCCO2.Cc1n[nH]c(=O)nc13.N34 |
6889 | Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)N1CCOCC1 | [C][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | Cc1oc5cc14.c15ccc(Cl)cc1.N13CCOCC1.C34=O |
6890 | COC(=O)c1ccc(Nc2nc(=O)[nH]nc2C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=N][C][=Branch1][C][=O][NH1][N][=C][Ring1][#Branch1][C][C][=C][Ring1][#C] | c14nc(=O)[nH]nc1C.c16ccc5cc1.C36=O.CO3.N45 |
6891 | Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)N1CCCC1 | [C][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][C][=Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | Cc1oc5cc14.c15ccc(Cl)cc1.N13CCCC1.C34=O |
6892 | Cc1n[nH]c(=O)nc1Nc1ccc(C(=O)OCC(C)C)cc1 | [C][C][=N][NH1][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][C][=C][Ring1][=N] | Cc1n[nH]c(=O)nc14.c15ccc6cc1.C3C(C)C.C26=O.N45.O23 |
6893 | Cc1n[nH]c(=O)nc1Nc1ccc(C(=O)OC(C)C)cc1 | [C][C][=N][NH1][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring1][N] | Cc1n[nH]c(=O)nc14.c15ccc6cc1.C26=O.C3(C)C.N45.O23 |
6894 | Cc1n[nH]c(=O)nc1NCCc1nc2ccccc2[nH]1 | [C][C][=N][NH1][C][=Branch1][C][=O][N][=C][Ring1][#Branch1][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c15nc2ccccc2[nH]1.Cc1n[nH]c(=O)nc14.C3C5.N34 |
6895 | Cc1c2cnn(C)c(=O)c2c(C)n1-c1ccccc1 | [C][C][=C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][Branch2][=C][Branch1][C][C][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1c2cnn(C)c(=O)c2c(C)n13.c13ccccc1 |
6896 | CCOC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][Branch1][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16c(C)oc(C)c1S4(=O)=O.c15ccccc1.C26=O.CC3.O23.N45 |
6898 | Clc1cccc(NCc2cn3ccccc3n2)c1 | [Cl][C][=C][C][=C][C][Branch1][S][N][C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Ring1][P] | c16cn2ccccc2n1.Clc1cccc5c1.N45.C46 |
6899 | CCOC(=O)c1c(S(N)(=O)=O)c(C)n(-c2ccccc2)c1C | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][S][C] | c15c(S(N)(=O)=O)c(C)n6c1C.c16ccccc1.C35=O.CC4.O34 |
6900 | CCOC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCOCC1 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][Branch1][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c15c(C)oc(C)c1S4(=O)=O.N14CCOCC1.C25=O.CC3.O23 |
6902 | COc1ccc2[nH]c(C(=O)Nc3ccc4c(c3)OCO4)cc2c1 | [C][O][C][=C][C][=C][NH1][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][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c16ccc2[nH]c8cc2c1.c17ccc2c(c1)OCO2.C58=O.CO6.N57 |
6903 | COc1ccc2[nH]c(C(=O)Nc3cccc(C)n3)cc2c1 | [C][O][C][=C][C][=C][NH1][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=C][C][Ring1][#C][=C][Ring2][Ring1][Ring1] | c15ccc2[nH]c7cc2c1.c16cccc(C)n1.C47=O.CO5.N46 |
6904 | CCOC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | N6C1=NS(=O)(=O)c2ccccc21.c17ccc6cc1.C47=O.CC5.O45 |
6905 | COC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | N5C1=NS(=O)(=O)c2ccccc21.c16ccc5cc1.C46=O.CO4 |
6906 | COc1ccc2[nH]c(C(=O)Nc3cc(C)nc(C)n3)cc2c1 | [C][O][C][=C][C][=C][NH1][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=N][C][Branch1][C][C][=N][Ring1][Branch2][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c15ccc2[nH]c7cc2c1.c16cc(C)nc(C)n1.C47=O.CO5.N46 |
6907 | CCOC(=O)c1ccccc1NC1=NS(=O)(=O)c2ccccc21 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | N5C1=NS(=O)(=O)c2ccccc21.c16ccccc15.C36=O.CC4.O34 |
6908 | O=S1(=O)N=C(Nc2ccc(F)cc2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | O=S1(=O)N=C(N3)c2ccccc21.c13ccc(F)cc1 |
6910 | O=S1(=O)N=C(Nc2cccc(F)c2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | O=S1(=O)N=C(N3)c2ccccc21.c13cccc(F)c1 |
6911 | O=S1(=O)N=C(Nc2cccc(C(F)(F)F)c2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | O=S1(=O)N=C(N3)c2ccccc21.c13cccc4c1.C4(F)(F)F |
6912 | O=S1(=O)N=C(Nc2cccc(Br)c2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | O=S1(=O)N=C(N3)c2ccccc21.c13cccc(Br)c1 |
6913 | O=S1(=O)N=C(Nc2ccccc2C(F)(F)F)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | O=S1(=O)N=C(N3)c2ccccc21.c13ccccc14.C4(F)(F)F |
6914 | O=S1(=O)N=C(NCCc2ccccc2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | O=S1(=O)N=C(N3)c2ccccc21.c14ccccc1.C3C4 |
6915 | O=S1(=O)N=C(NC2CCCC2)c2ccccc21 | [O][=S][=Branch1][C][=O][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | O=S1(=O)N=C(N3)c2ccccc21.C13CCCC1 |
6916 | Cc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][C][C] | N4C1=NS(=O)(=O)c2ccccc21.Cc1ccc4cc1C |
6918 | Cc1cc(C)cc(NC2=NS(=O)(=O)c3ccccc32)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Branch1][N][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][Ring1] | N4C1=NS(=O)(=O)c2ccccc21.Cc1cc4cc(C)c1 |
6922 | Cc1cc(C)c(-c2ccn(C(=O)c3snnc3C)n2)[nH]1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch1][C][C][=C][N][Branch1][=N][C][=Branch1][C][=O][C][S][N][=N][C][=Ring1][Branch1][C][N][=Ring1][=N][NH1][Ring2][Ring1][Ring1] | c15ccn(C4=O)n1.Cc1cc(C)c5[nH]1.c14snnc1C |
6923 | Cc1cn(C(=O)c2snnc2C)nc1-c1cccs1 | [C][C][=C][N][Branch1][=N][C][=Branch1][C][=O][C][S][N][=N][C][=Ring1][Branch1][C][N][=C][Ring1][=N][C][=C][C][=C][S][Ring1][Branch1] | Cc1cn(C3=O)nc14.c13snnc1C.c14cccs1 |
6924 | Cc1ccc(C)c2c1NS(=O)(=O)c1ccccc1-2 | [C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] | Cc1ccc(C)c2c1NS(=O)(=O)c1ccccc1-2 |
6925 | CN(C)C(=O)CSc1nnc(-c2ccco2)o1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2] | c15nnc6o1.c16ccco1.C3(=O)C4.CN3C.S45 |
6926 | Cc1cc(C(=O)n2cc(C)c(-c3cccs3)n2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][O][=C][Branch1][C][C][O][Ring2][Ring1][Ring1] | C4(=O)n1cc(C)c5n1.Cc1cc4c(C)o1.c15cccs1 |
6927 | CC1CCC(=O)C(C2(O)C(=O)N(C)c3ccccc32)C1 | [C][C][C][C][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][C][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][Ring2][Ring1][Ring1] | CC1CCC(=O)C(C2(O)C(=O)N(C)c3ccccc32)C1 |
6928 | CN(C(=O)CSc1nnn(C)n1)c1ccccc1 | [C][N][Branch1][P][C][=Branch1][C][=O][C][S][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15nnn(C)n1.c14ccccc1.C2(=O)C3.CN24.S35 |
6929 | Cc1ccc(C(=O)Nc2ccc3[nH]cc(C#N)c3c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][=C][Branch1][Ring1][C][#N][C][Ring1][#Branch1][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c15ccc2[nH]cc(C#N)c2c1.Cc1ccc6cc1.C46=O.N45 |
6930 | Cc1cc(C)n2c(SCc3ccccc3)nnc2n1 | [C][C][C][=C][Branch1][C][C][N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=N][N][=Ring2][Ring1][C] | Cc1cc(C)n2c6nnc2n1.c15ccccc1.S46.C45 |
6931 | Cc1ccc(C(=O)Nc2nn(C)c3cccc(F)c23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=N][N][Branch1][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | c15nn(C)c2cccc(F)c12.Cc1ccc6cc1.C46=O.N45 |
6932 | COc1cccc(C(=O)Nc2nn(C)c3cccc(F)c23)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=N][N][Branch1][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][O][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | c16nn(C)c2cccc(F)c12.c15cccc7c1.C47=O.CO5.N46 |
6933 | Cn1nc(NC(=O)c2ccco2)c2c(F)cccc21 | [C][N][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][C] | Cn1nc4c2c(F)cccc21.c15ccco1.C35=O.N34 |
6934 | Cc1c(-c2ccnn2C(=O)c2cccs2)cnn1-c1ccccc1 | [C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=N][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=N][N][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccnn1C3=O.Cc1c5cnn14.c14ccccc1.c13cccs1 |
6936 | Cc1cc(C)n(-c2nnc(C)n2NS(C)(=O)=O)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][N][S][Branch1][C][C][=Branch1][C][=O][=O][N][=Ring1][P] | c13nnc(C)n1NS(C)(=O)=O.Cc1cc(C)n3n1 |
6937 | Cc1ccc(S(=O)(=O)NC(=O)Oc2cccc3cccnc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc(S7(=O)=O)cc1.c16cccc2cccnc12.C45=O.N57.O46 |
6939 | CC(C)c1ccc(NC(=O)CSc2nnn(C)n2)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][S][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][=C][Ring1][P] | c16ccc5cc1.c17nnn(C)n1.C3(=O)C4.CC6C.N35.S47 |
6940 | Cc1cccc(NC(=O)CCS(=O)(=O)c2ccccc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | C3(=O)CCS(=O)(=O)c1ccccc1.Cc1cccc4c1.N34 |
6941 | Cc1ccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S4(=O)=O)cc1.c15ccc2[nH]ccc2c1.N45 |
6942 | Cc1cccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Branch1] | C3(=O)CCS(=O)(=O)c1ccc(Cl)cc1.Cc1cccc4c1.N34 |
6943 | Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(Cl)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S(=O)(=O)CCC3=O)cc1.c14cccc(Cl)c1.N34 |
6944 | COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCCC1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][Branch1][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] | c14c(C)oc(C)c1S3(=O)=O.N13CCCC1.C24=O.CO2 |
6945 | COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(C)C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][Branch1][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C] | c14c(C)oc(C)c1S3(=O)=O.C24=O.N3(C)C.CO2 |
6946 | COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCCCC1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][Branch1][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1] | c14c(C)oc(C)c1S3(=O)=O.N13CCCCC1.C24=O.CO2 |
6947 | COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCc1cccs1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][Branch1][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1] | c15c(C)oc(C)c1S4(=O)=O.c16cccs1.C25=O.CO2.N34.C36 |
6948 | Cc1ccnc(-n2c(C)nc3ccccc3c2=O)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][Ring1][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][=C][Ring2][Ring1][C] | n14c(C)nc2ccccc2c1=O.Cc1ccnc4c1 |
6949 | COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCOCC1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][Branch1][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c14c(C)oc(C)c1S3(=O)=O.N13CCOCC1.C24=O.CO2 |
6950 | COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)o1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#C] | c16ccc(S5(=O)=O)o1.c17ccco1.C36=O.CO3.N45.C47 |
6951 | CC1CCC2(C)c3[nH]c4ccccc4c3CCN2C1=O | [C][C][C][C][C][Branch1][C][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][Ring1][=C][C][Ring2][Ring1][C][=O] | CC1CCC2(C)c3[nH]c4ccccc4c3CCN2C1=O |
6952 | CSc1ncnc(SC)c1Br | [C][S][C][=N][C][=N][C][Branch1][Ring1][S][C][=C][Ring1][Branch2][Br] | c12ncnc3c1Br.CS2.S3C |
6953 | CCOC(=O)c1cc(C)nc(Sc2ccccn2)c1C#N | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][C][Branch1][#Branch2][S][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=C][C][#N] | c15cc(C)nc6c1C#N.c17ccccn1.C35=O.CC4.O34.S67 |
6954 | Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)N(C)C | [C][C][O][N][=C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Ring1][=N][N][C][=Branch1][C][=O][N][Branch1][C][C][C] | c16c(Cl)cccc1Cl.Cc1onc6c15.C34=O.N4(C)C.N35 |
6955 | CC(C)c1nnc(NC(=O)C2COc3ccccc3O2)s1 | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][S][Ring2][Ring1][C] | C16COc2ccccc2O1.c17nnc5s1.CC7C.C46=O.N45 |
6956 | CCCc1nnc(NC(=O)C2COc3ccccc3O2)s1 | [C][C][C][C][=N][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][S][Ring2][Ring1][C] | C16COc2ccccc2O1.c17nnc5s1.CCC7.C46=O.N45 |
6957 | CCc1nnc(NC(=O)C2COc3ccccc3O2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][S][Ring2][Ring1][C] | C16COc2ccccc2O1.c17nnc5s1.C46=O.CC7.N45 |
6958 | COc1ccc(OC(=O)C2COc3ccccc3O2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | C17COc2ccccc2O1.c15ccc6cc1.C47=O.CO5.O46 |
6959 | O=C(Oc1ccc(Br)cc1)C1COc2ccccc2O1 | [O][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c14ccc(Br)cc1.O=C35.O34 |
6960 | COC(=O)c1ccc(C2CC(c3ccccc3)=Nc3ncnn32)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][C][=N][N][Ring1][Branch1][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c15ccc(C2CC(c3ccccc3)=Nc3ncnn32)cc1.C45=O.CO4 |
6961 | COc1c(Br)cc(C#N)cc1Br | [C][O][C][=C][Branch1][C][Br][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][=Branch2][Br] | c12c(Br)cc(C#N)cc1Br.CO2 |
6962 | Cc1ccc(Br)cc1SCC(=O)NCc1ccco1 | [C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1] | Cc1ccc(Br)cc16.c15ccco1.C4C2=O.S46.N23.C35 |
6963 | Cn1c(=O)c2c(nc(N3CCCC3)n2C)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch1][S][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][Ring1][#Branch2][C][N][Branch1][C][C][C][Ring1][P][=O] | Cn1c(=O)c2c(nc4n2C)n(C)c1=O.N14CCCC1 |
6964 | Cc1cc(C)nc(SCC(=O)c2ccccc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][P] | Cc1cc(C)nc5n1.c14ccccc1.C3C4=O.S35 |
6965 | Cc1cc(C)c2c(N)c(C(=O)NCC3CCCO3)sc2n1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][S][C][Ring1][#C][=N][Ring2][Ring1][Ring2] | Cc1cc(C)c2c(N)c6sc2n1.C17CCCO1.C46=O.N45.C57 |
6966 | Cn1ccnc1SCC(=O)c1ccc(Br)cc1 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c13ccc(Br)cc1.Cn1ccnc14.C2C3=O.S24 |
6967 | CC(=O)c1cc(C#N)c(SCc2ccccc2)nc1C | [C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][S][C] | c14cc(C#N)c6nc1C.c15ccccc1.CC4=O.S36.C35 |
6968 | Cc1cc(C(N)=O)nn1-c1c(Cl)cc(Cl)cc1Cl | [C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=N][N][Ring1][Branch2][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl] | c13c(Cl)cc(Cl)cc1Cl.Cc1cc2nn13.C2(N)=O |
6970 | Cn1cc(Cl)c(C(=O)Nc2ccc(Cl)c(Cl)c2)n1 | [C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring1][P] | c14ccc(Cl)c(Cl)c1.Cn1cc(Cl)c5n1.C35=O.N34 |
6972 | Cn1ncc(Cl)c1C(=O)N1CCN(c2cccc(Cl)c2)CC1 | [C][N][N][=C][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N] | Cn1ncc(Cl)c15.N13CCN4CC1.c14cccc(Cl)c1.C35=O |
6973 | O=C(Nc1ccccc1)c1ccn(C(=O)c2ccccc2)n1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][=N] | c15ccn(C6=O)n1.c14ccccc1.c16ccccc1.O=C35.N34 |
6975 | COc1cc(-c2oc3ccc(C)cc3c(=O)c2O)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][N][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] | c17oc2ccc(C)cc2c(=O)c1O.c14cc7cc5c16.CO4.O5C.O6C |
6976 | CC(C)c1nnc(NC(=O)c2cc3ccccc3[nH]2)s1 | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][S][Ring1][P] | c16cc2ccccc2[nH]1.c17nnc5s1.CC7C.C46=O.N45 |
6978 | CSc1nc(-c2ccc(Cl)cc2)nn1C(=O)N(C)C | [C][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring1][N][C][=Branch1][C][=O][N][Branch1][C][C][C] | c14nc5nn1C3=O.c15ccc(Cl)cc1.N3(C)C.CS4 |
6979 | COc1ccccc1OCc1ccc(C(=O)NCC(C)C)o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][O][Ring1][N] | c14ccccc15.c18ccc7o1.C6C(C)C.C27=O.CO4.O35.C38.N26 |
6980 | Cc1nnc(NC(=O)c2cc3ccccc3[nH]2)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][S][Ring1][P] | c16cc2ccccc2[nH]1.Cc1nnc5s1.C46=O.N45 |
6981 | Cc1ccc(-c2nc(NC(=O)c3ccccn3)sc2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][S][C][=Ring1][=C][C][C][=C][Ring2][Ring1][Branch1] | Cc1ccc7cc1.c17nc5sc1C.c16ccccn1.C46=O.N45 |
6982 | CC1COCC(C)N1C(=O)c1cc2ccccc2[nH]1 | [C][C][C][O][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c14cc2ccccc2[nH]1.CC1COCC(C)N13.C34=O |
6983 | O=C(NCc1cccnc1)c1ccc(COc2ccccc2Cl)o1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring1][=C] | c15ccccc1Cl.c19cccnc1.c17ccc8o1.O=C37.N36.C69.C48.O45 |
6984 | CCOC(=O)CSc1nnc(-c2ccccc2)s1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O] | c16nnc7s1.c17ccccc1.C3(=O)C5.CC4.O34.S56 |
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