ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
10819 | N#CCn1cnc2c(cnn2-c2ccccc2)c1=O | [N][#C][C][N][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=O] | n13cnc2c(cnn24)c1=O.c14ccccc1.N#CC3 |
10822 | CCOC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nnc8n16.c16ccccc1.c18ccco1.C3(=O)C5.CC4.O34.S57 |
10823 | Cc1ccc(Oc2ccc(Br)cc2)nn1 | [C][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][=N][Ring1][=C] | Cc1ccc3nn1.c14ccc(Br)cc1.O34 |
10824 | CCOC(=O)c1ccc(Oc2ccc(C)nn2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][C][N][=N][Ring1][#Branch1][C][=C][Ring1][=C] | c17ccc6cc1.c15ccc(C)nn1.C37=O.CC4.O34.O56 |
10825 | O=c1[nH]c2c(cnn2-c2ccccc2)c(=O)n1-c1ccccc1 | [O][=C][NH1][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1[nH]c2c(cnn23)c(=O)n14.c13ccccc1.c14ccccc1 |
10826 | O=c1[nH]c2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(Cl)cc1 | [O][=C][NH1][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | O=c1[nH]c2c(cnn23)c(=O)n14.c14ccc(Cl)cc1.c13ccccc1 |
10827 | Cc1cc(NC(=O)CSc2nccn2C)n(-c2ccccc2)n1 | [C][C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][N][Ring1][Branch1][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][=Branch1] | Cc1cc5n6n1.c17nccn1C.c16ccccc1.C3(=O)C4.N35.S47 |
10828 | N#Cc1c(-c2cccnc2)cc(-c2ccc(Cl)cc2)[nH]c1=O | [N][#C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][NH1][C][Ring2][Ring1][Ring1][=O] | N#Cc1c4cc3[nH]c1=O.c13ccc(Cl)cc1.c14cccnc1 |
10829 | C=CCn1cnc2c(sc3nc(C)cc(C)c32)c1=O | [C][=C][C][N][C][=N][C][=C][Branch2][Ring1][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][Ring1][O][C][Ring1][#C][=O] | n14cnc2c(sc3nc(C)cc(C)c32)c1=O.C=CC4 |
10830 | NC(=O)c1nnn(Cc2ccc(Cl)cc2)c1N | [N][C][=Branch1][C][=O][C][N][=N][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][=N][N] | c13nnn4c1N.c15ccc(Cl)cc1.NC3=O.C45 |
10834 | Cc1ccc(-n2c(=O)[nH]c3c(sc4nc(C)cc(C)c43)c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][P][N][C][=Branch1][C][=O][NH1][C][=C][Branch2][Ring1][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][Ring1][O][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch1] | n15c(=O)[nH]c2c(sc3nc(C)cc(C)c32)c1=O.Cc1ccc5cc1 |
10835 | CCOC(=O)c1oc2nc(-c3ccco3)cc(-c3ccco3)c2c1N | [C][C][O][C][=Branch1][C][=O][C][O][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][S][C][=Ring2][Ring1][Ring1][N] | c16oc2nc7cc8c2c1N.c17ccco1.c18ccco1.C46=O.CC5.O45 |
10836 | C#CC1(NC(=O)NC(O)C(Cl)(Cl)Cl)CCCCC1 | [C][#C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][C][C][C][C][Ring1][S] | C#CC14CCCCC1.C5(O)C(Cl)(Cl)Cl.C23=O.N24.N35 |
10837 | CSc1ncnc2c1nnn2Cc1ccccc1 | [C][S][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ncnc2c1nnn23.c14ccccc1.CS5.C34 |
10838 | CSc1ncnc2c1nnn2Cc1ccc(F)cc1 | [C][S][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ncnc2c1nnn23.c14ccc(F)cc1.CS5.C34 |
10839 | Nn1c(C(=O)NCC2CCCO2)nc2ccccc2c1=O | [N][N][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O] | Nn1c5nc2ccccc2c1=O.C16CCCO1.C35=O.N34.C46 |
10840 | Fc1ccc(Cn2nnc3c(N4CCOCC4)ncnc32)cc1 | [F][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][N][=N][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][N][=C][Ring1][N][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] | n16nnc2c5ncnc21.Fc1ccc7cc1.N15CCOCC1.C67 |
10841 | Clc1ccccc1Cn1nnc2c(N3CCCCC3)ncnc21 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][N][=N][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][=C][N][=C][Ring1][N][Ring1][#C] | n15nnc2c4ncnc21.Clc1ccccc16.N14CCCCC1.C56 |
10842 | C=CCn1c(=O)c2ccccc2n2nnc(C(=O)OCC)c12 | [C][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring2][Ring1][Ring1][Ring1][#Branch2] | n16c(=O)c2ccccc2n2nnc5c12.C=CC6.C35=O.O34.C4C |
10843 | CCOC(=O)c1nnn2c1nc(N(CC)CC)c1ccccc12 | [C][C][O][C][=Branch1][C][=O][C][N][=N][N][C][=Ring1][Branch1][N][=C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C] | c18nnn2c1nc7c1ccccc12.C38=O.N567.CC4.O34.C5C.C6C |
10844 | CCOC(=O)c1nnn2c1nc(N1CCCCC1)c1ccccc12 | [C][C][O][C][=Branch1][C][=O][C][N][=N][N][C][=Ring1][Branch1][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | c16nnn2c1nc5c1ccccc12.N15CCCCC1.C36=O.CC4.O34 |
10845 | CCOC(=O)c1nnn2c1nc(N1CCOCC1)c1ccccc12 | [C][C][O][C][=Branch1][C][=O][C][N][=N][N][C][=Ring1][Branch1][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] | c16nnn2c1nc5c1ccccc12.N15CCOCC1.C36=O.CC4.O34 |
10846 | CCOC(=O)c1nn(-c2ccc(C)cc2)c2nc3ccccc3n12 | [C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][Ring1][=Branch2] | c16nn7c2nc3ccccc3n12.c17ccc(C)cc1.C46=O.CC5.O45 |
10849 | Cn1c(=O)c2c(nc(NCc3ccccn3)n2C)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][N][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][=N][C][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] | Cn1c(=O)c2c(nc5n2C)n(C)c1=O.c16ccccn1.N45.C46 |
10850 | Cc1cnnn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | [C][C][=C][N][=N][N][Ring1][Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C] | c14cc2cc3c1.Cc1cnnn14.C2(F)(F)F.C3(F)(F)F |
10851 | NC(=O)C1CCN(C(=O)Nc2csc3ccccc23)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][C] | c16csc2ccccc12.C17CCN4CC1.NC7=O.C45=O.N56 |
10852 | O=C(Nc1ccncc1)Nc1csc2ccccc12 | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c16csc2ccccc12.c15ccncc1.O=C34.N35.N46 |
10853 | O=C(NCC1COc2ccccc2O1)Nc1csc2ccccc12 | [O][=C][Branch1][P][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][N][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | C17COc2ccccc2O1.c16csc2ccccc12.O=C34.N35.C57.N46 |
10854 | Cc1cc(CNC(=O)Nc2csc3ccccc23)no1 | [C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][O][Ring2][Ring1][Ring1] | c17csc2ccccc12.Cc1cc8no1.C45=O.C68.N46.N57 |
10855 | Cc1nn(C)c(C)c1CNC(=O)Nc1csc2ccccc12 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c16csc2ccccc12.Cc1nn(C)c(C)c17.C34=O.C57.N35.N46 |
10856 | COc1ccc(-n2ncc(NC(=O)N3CCOCC3)c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][N][=C][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=C][C][C][=C][Ring2][Ring1][Branch1] | c16ccc8cc1.n18ncc7c1C.N15CCOCC1.C45=O.CO6.N47 |
10857 | COc1ccc(-n2ncc(NC(=O)NCc3cccs3)c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][N][=C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][#C][C][C][=C][Ring2][Ring1][=Branch1] | c16ccc%10cc1.n1%10ncc8c1C.c19cccs1.C45=O.CO6.N48.N57.C79 |
10858 | COc1ccc(-n2ncc(NC(=O)NCc3ccccn3)c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][N][=C][C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][S][C][C][=C][Ring2][Ring1][#Branch1] | c16ccc%10cc1.n1%10ncc8c1C.c19ccccn1.C45=O.CO6.N48.N57.C79 |
10859 | CCOC(=O)c1nnn2c1nc(SCC(N)=O)c1ccccc12 | [C][C][O][C][=Branch1][C][=O][C][N][=N][N][C][=Ring1][Branch1][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C] | c16nnn2c1nc7c1ccccc12.C5C(N)=O.C36=O.CC4.O34.S57 |
10860 | Cn1ccnc1SCC(=O)N1CCc2ccccc21 | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCc2ccccc21.Cn1ccnc15.C4C3=O.S45 |
10861 | O=C(CSc1nnc(-c2ccncc2)o1)N1CCc2ccccc21 | [O][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | N13CCc2ccccc21.c15nnc6o1.c16ccncc1.O=C3C4.S45 |
10862 | N#Cc1cnc(N(Cc2ccccc2)Cc2ccccc2)nc1N | [N][#C][C][=C][N][=C][Branch2][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][Branch1][N] | N#Cc1cnc5nc1N.c16ccccc1.c17ccccc1.N345.C36.C47 |
10863 | O=C(NCc1cccs1)NCc1cccs1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][N][C][C][=C][C][=C][S][Ring1][Branch1] | c16cccs1.c17cccs1.O=C23.N24.C46.N35.C57 |
10865 | COc1cc(OC)c2nc(C)c3c(c2c1)SCC3 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][N][=C][Branch1][C][C][C][=C][Branch1][#Branch1][C][Ring1][#Branch1][=C][Ring1][=N][S][C][C][Ring1][#Branch1] | c14cc5c2nc(C)c3c(c2c1)SCC3.CO4.O5C |
10866 | N#Cc1c(O)cc(Br)cc1Br | [N][#C][C][=C][Branch1][C][O][C][=C][Branch1][C][Br][C][=C][Ring1][Branch2][Br] | N#Cc1c(O)cc(Br)cc1Br |
10867 | Nn1c(COc2ccc(Cl)cc2Cl)nc2ccccc2c1=O | [N][N][C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O] | Nn1c5nc2ccccc2c1=O.c14ccc(Cl)cc1Cl.C35.O34 |
10869 | COc1ccc(Cc2nc3ccccc3c(=O)n2N)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][N][C][=C][Ring2][Ring1][Ring1][O][C] | c16nc2ccccc2c(=O)n1N.c14ccc7cc15.CO4.C67.O5C |
10870 | N#Cc1c(-c2cccnc2)c2c([nH]c1=O)-c1ccccc1CC2 | [N][#C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Branch1][=Branch1][NH1][C][Ring1][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] | N#Cc1c3c2c([nH]c1=O)-c1ccccc1CC2.c13cccnc1 |
10871 | N#Cc1c(-c2ccco2)c2c([nH]c1=O)-c1ccccc1CC2 | [N][#C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][Branch1][=Branch1][NH1][C][Ring1][O][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] | N#Cc1c3c2c([nH]c1=O)-c1ccccc1CC2.c13ccco1 |
10873 | N#Cc1cnc(SCc2ccc(Cl)cc2)nc1N | [N][#C][C][=C][N][=C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][#C][N] | N#Cc1cnc5nc1N.c14ccc(Cl)cc1.S35.C34 |
10874 | Cc1csc2c(=O)n(N)c(-c3ccc(Cl)cc3)nc12 | [C][C][=C][S][C][C][=Branch1][C][=O][N][Branch1][C][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][Ring2][Ring1][C][=Ring1][#C] | Cc1csc2c(=O)n(N)c4nc12.c14ccc(Cl)cc1 |
10875 | CCOC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][Branch1][C][F][Branch1][C][F][F] | c15cnn7c16.c17ccccc1.C6(F)(F)F.C35=O.CC4.O34 |
10876 | CCCc1c(C(=O)OCC)cnn1-c1ccccc1 | [C][C][C][C][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=N][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15c4cnn16.c16ccccc1.CCC5.C24=O.O23.C3C |
10877 | Cc1cc(C)c(C#N)c(Sc2ncc(C#N)c(N)n2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][P][S][C][=N][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][N][=N][Ring1][=Branch2][=N][Ring2][Ring1][Ring1] | Cc1cc(C)c(C#N)c3n1.c14ncc(C#N)c(N)n1.S34 |
10878 | Cn1c(Sc2ncc(C#N)c(N)n2)nnc1-c1ccncc1 | [C][N][C][Branch1][P][S][C][=N][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][N][=N][Ring1][=Branch2][=N][N][=C][Ring1][#C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14ncc(C#N)c(N)n1.Cn1c3nnc15.c15ccncc1.S34 |
10879 | COc1ccc(Nc2ncc(C#N)c(N)n2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][P][N][C][=N][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][N][=N][Ring1][=Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c15ncc(C#N)c(N)n1.c13ccc6c4c1.CO3.N56.O4C |
10880 | CCOC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][C][Branch1][C][F][Branch1][C][F][F] | c15cnn7c16.c17ccc(F)cc1.C6(F)(F)F.C35=O.CC4.O34 |
10881 | C=CCn1c2ccccc2c2nn3cnnc3nc21 | [C][=C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][C][=N][N][=C][Ring1][Branch1][N][=C][Ring1][=Branch2][Ring1][S] | n14c2ccccc2c2nn3cnnc3nc21.C=CC4 |
10882 | CC1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1 | [C][C][=N][N][C][=Branch1][P][=N][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][C][Ring1][S] | CC1=Nn2c3nnc2SC1.c13ccc(Cl)cc1 |
10883 | Cc1cc(C)n(-c2ncnc3c2nnn3Cc2ccccc2Cl)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=Ring2][Ring1][#Branch1] | c16ncnc2c1nnn24.Cc1cc(C)n6n1.c15ccccc1Cl.C45 |
10884 | Clc1ccccc1CSc1nnc2n1CCCN2 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][C][N][Ring1][=Branch1] | c15nnc2n1CCCN2.Clc1ccccc14.C34.S35 |
10885 | O=C(CSc1nnc2n1CCCN2)c1cccs1 | [O][=C][Branch1][S][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][C][N][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1] | c15nnc2n1CCCN2.c14cccs1.O=C4C3.S35 |
10886 | O=C(c1ccco1)N1CCCn2c(SCc3ccccc3)nnc21 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][N][C][Branch1][O][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=N][Ring1][P] | N14CCCn2c8nnc21.c17ccccc1.c16ccco1.O=C46.S58.C57 |
10887 | CCOC(=O)CSc1nnc2sc3ccccc3n12 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][Ring1][=Branch2] | c17nnc2sc3ccccc3n12.C4(=O)C6.CC5.O45.S67 |
10888 | CCOC(=O)CSc1nnc(-c2cnn(-c3ccccc3)c2N)o1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch2][Ring1][Ring1][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][O][Ring1][P] | c19cnn7c1N.c18nnc9o1.c17ccccc1.C4(=O)C6.CC5.O45.S68 |
10889 | Nc1ccccc1SCC(O)CSc1cccs1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][Branch1][C][O][C][S][C][=C][C][=C][S][Ring1][Branch1] | Nc1ccccc15.C2C(O)C3.c14cccs1.S25.S34 |
10891 | CCOC(=O)c1cc(C(=O)OCC)c(C(F)(F)F)nc1C | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#C][C] | c16cc7c8nc1C.C8(F)(F)F.C26=O.C37=O.CC4.O24.O35.C5C |
10892 | O=c1c(=O)n2c(nn1Cc1ccccc1Cl)sc1ccccc12 | [O][=C][C][=Branch1][C][=O][N][C][=Branch1][#C][=N][N][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | O=c1c(=O)n2c(nn13)sc1ccccc12.c14ccccc1Cl.C34 |
10893 | O=c1c(=O)n2c(nn1Cc1ccc(F)cc1)sc1ccccc12 | [O][=C][C][=Branch1][C][=O][N][C][=Branch1][P][=N][N][Ring1][#Branch1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | O=c1c(=O)n2c(nn13)sc1ccccc12.c14ccc(F)cc1.C34 |
10894 | c1ccc2c(c1)SCc1nnc(-c3ccncc3)n1-2 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][Ring1][S] | c1ccc2c(c1)SCc1nnc4n1-2.c14ccncc1 |
10895 | c1ccc(-c2nnc3n2-c2ccccc2SC3)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c14nnc2n1-c1ccccc1SC2.c1ccc4cc1 |
10896 | CCOC(=O)Cc1csc(NC(=O)Nc2ccc(C)cc2)n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][Ring1][S] | c18ccc(C)cc1.c19csc7n1.C3(=O)C9.C45=O.CC6.O36.N47.N58 |
10899 | CCOC(=O)Cn1sc2nc(C)cc(C)c2c1=O | [C][C][O][C][=Branch1][C][=O][C][N][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][Ring1][O][=O] | n15sc2nc(C)cc(C)c2c1=O.C3(=O)C5.CC4.O34 |
10900 | O=C(Cn1nc2sc3ccccc3n2c(=O)c1=O)c1cccs1 | [O][=C][Branch2][Ring1][=Branch2][C][N][N][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Branch1][C][=O][C][Ring1][=C][=O][C][=C][C][=C][S][Ring1][Branch1] | n15nc2sc3ccccc3n2c(=O)c1=O.c14cccs1.O=C4C5 |
10901 | O=c1c(N2CCOCC2)nnc2sc3ccccc3n12 | [O][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][N][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][Ring1][=Branch2] | O=c1c4nnc2sc3ccccc3n12.N14CCOCC1 |
10902 | Fc1ccccc1-c1nnc2n1-c1ccccc1SC2 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][#Branch2] | c13nnc2n1-c1ccccc1SC2.Fc1ccccc13 |
10903 | Cc1cc(C)c2c(=O)n(C(=O)c3cccs3)sc2n1 | [C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][S][C][Ring1][=N][=N][Ring2][Ring1][C] | Cc1cc(C)c2c(=O)n(C4=O)sc2n1.c14cccs1 |
10905 | O=c1n(Cc2ccccc2Cl)nc2n1-c1ccccc1SC2 | [O][=C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=C][N][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][#Branch2] | O=c1n3nc2n1-c1ccccc1SC2.c14ccccc1Cl.C34 |
10906 | O=c1n(Cc2ccc(F)cc2)nc2n1-c1ccccc1SC2 | [O][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][N][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][#Branch2] | O=c1n3nc2n1-c1ccccc1SC2.c14ccc(F)cc1.C34 |
10907 | O=c1n(Cc2ccccc2)nc2n1-c1ccccc1SC2 | [O][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][#Branch2] | O=c1n3nc2n1-c1ccccc1SC2.c14ccccc1.C34 |
10908 | CCOC(=O)Cn1nc2n(c1=O)-c1ccccc1SC2 | [C][C][O][C][=Branch1][C][=O][C][N][N][=C][N][Branch1][Branch1][C][Ring1][Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][N] | n15nc2n(c1=O)-c1ccccc1SC2.C3(=O)C5.CC4.O34 |
10909 | C=CCn1cnc2sc(-c3ccccc3)cc2c1=O | [C][=C][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] | n14cnc2sc5cc2c1=O.c15ccccc1.C=CC4 |
10910 | CCOC(=O)c1cnc(N2CCOCC2)nc1N | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][N][N] | c16cnc5nc1N.N15CCOCC1.C36=O.CC4.O34 |
10911 | O=C(NC(n1cccnc1=O)C(Cl)(Cl)Cl)c1ccco1 | [O][=C][Branch2][Ring1][=Branch1][N][C][Branch1][#Branch2][N][C][=C][C][=N][C][Ring1][=Branch1][=O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=C][C][=C][O][Ring1][Branch1] | n15cccnc1=O.C35C(Cl)(Cl)Cl.c14ccco1.O=C24.N23 |
10912 | CCOC(=O)CS(=O)(=O)c1ccc(Cl)cc1 | [C][C][O][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | C2(=O)CS(=O)(=O)c1ccc(Cl)cc1.CC3.O23 |
10913 | CCOC(=O)c1cnc2c(c(C)nn2C)c1Cl | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][#Branch2][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=C][Ring1][O][Cl] | c15cnc2c(c(C)nn2C)c1Cl.C35=O.CC4.O34 |
10914 | COc1cc2c(cc1OC)C(=O)NCC(C)(C)O2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=C] | c13cc2c(cc14)C(=O)NCC(C)(C)O2.CO3.O4C |
10915 | Cc1nn(C)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12 | [C][C][=N][N][Branch1][C][C][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][Branch1][Ring1][P] | Cc1nn(C)c2ncc6c(Cl)c12.c15ccc(Cl)cc1.C46=O.N45 |
10916 | Cc1nn(C)c2ncc(C(=O)Nc3ccccc3Cl)c(Cl)c12 | [C][C][=N][N][Branch1][C][C][C][=N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][Cl][=C][Ring2][Ring1][Branch1][Ring1][P] | Cc1nn(C)c2ncc6c(Cl)c12.c15ccccc1Cl.C46=O.N45 |
10917 | Cc1nn(C)c2ncc(C(=O)NC(C)C)c(Cl)c12 | [C][C][=N][N][Branch1][C][C][C][=N][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Branch1][C][Cl][=C][Ring1][P][Ring1][=N] | Cc1nn(C)c2ncc5c(Cl)c12.C35=O.C4(C)C.N34 |
10918 | COc1ccc(-c2cc(=O)c3cc(F)ccc3o2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C] | c15cc(=O)c2cc(F)ccc2o1.c14ccc5cc1.CO4 |
10919 | COC(=O)c1sc(SC)c(S(=O)(=O)C(C)C)c1Cl | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][Ring1][S][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][C][=Ring1][=N][Cl] | c13sc4c(S(=O)(=O)C(C)C)c1Cl.C23=O.CO2.S4C |
10920 | FC(F)(F)c1ccc(SCc2ccco2)nc1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][#Branch2][S][C][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][=N] | c15ccc6nc1.c14ccco1.FC5(F)F.S36.C34 |
10921 | CN1C(=O)N(c2ccc(Cl)cc2)C(C)(O)CC1(C)C | [C][N][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][O][C][C][Ring1][S][Branch1][C][C][C] | CN1C(=O)N3C(C)(O)CC1(C)C.c13ccc(Cl)cc1 |
10922 | CCOC(=O)c1csc(C2COc3ccccc3O2)n1 | [C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch1][#C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=N][Ring1][#C] | C17COc2ccccc2O1.c16csc7n1.C46=O.CC5.O45 |
10923 | CCOC(=O)Cc1nn(CC#N)c(=O)c2ccccc12 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][Ring2][C][C][#N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1] | c16nn5c(=O)c2ccccc12.C3(=O)C6.C5C#N.CC4.O34 |
10924 | O=c1c(-c2nnnn2-c2ccccc2)c[nH]c2ccccc12 | [O][=C][C][Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][NH1][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | O=c1c4c[nH]c2ccccc12.c14nnnn13.c13ccccc1 |
10925 | CC(C)n1cc(C#N)c(=O)n(Cc2ccccc2)c1=O | [C][C][Branch1][C][C][N][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O] | n13cc(C#N)c(=O)n4c1=O.c15ccccc1.CC3C.C45 |
10926 | CCOC(=O)c1cncc(C#Cc2ccccc2)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C] | c15cncc(C#Cc2ccccc2)c1.C35=O.CC4.O34 |
10927 | COC(=O)c1cc(OC)c(OC)cc1Br | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Br] | c15cc3c4cc1Br.C25=O.CO2.O3C.O4C |
10929 | Cc1ccc2nc3c(cc2c1)c(=O)n(C)c(=O)n3C | [C][C][=C][C][=C][N][=C][C][=Branch1][Branch2][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][N][C] | Cc1ccc2nc3c(cc2c1)c(=O)n(C)c(=O)n3C |
10932 | Cc1ccc2cc3c(=O)n(C)c(=O)n(C)c3nc2c1 | [C][C][=C][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=N][C][Ring1][=C][=C][Ring2][Ring1][C] | Cc1ccc2cc3c(=O)n(C)c(=O)n(C)c3nc2c1 |
10933 | CCOC(=O)c1sc(SC)c(S(C)(=O)=O)c1N | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][Ring1][S][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=Ring1][O][N] | c14sc5c(S(C)(=O)=O)c1N.C24=O.CC3.O23.S5C |
10934 | OCC(O)C(O)C(O)C1Nc2ccccc2S1 | [O][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | C13Nc2ccccc2S1.OCC(O)C(O)C3O |
10935 | Clc1ccc2nc3c(nc2c1)Nc1ncccc1O3 | [Cl][C][=C][C][=C][N][=C][C][=Branch1][Branch2][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N] | Clc1ccc2nc3c(nc2c1)Nc1ncccc1O3 |
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