ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
7999 | COc1ccc(-c2csc([S+](C)[O-])c2C#N)cc1 | [C][O][C][=C][C][=C][Branch1][P][C][=C][S][C][Branch1][=Branch1][S+1][Branch1][C][C][O-1][=C][Ring1][Branch2][C][#N][C][=C][Ring1][S] | c14csc([S+](C)[O-])c1C#N.c13ccc4cc1.CO3 |
8000 | COc1ccc(-c2csc(S(C)(=O)=O)c2C#N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][S][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][=Branch2][C][#N][C][=C][Ring1][P] | c14csc(S(C)(=O)=O)c1C#N.c13ccc4cc1.CO3 |
8001 | CC(C)(C)S(=O)(=O)c1cnc(N2CCCC2)nc1N | [C][C][Branch1][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][Ring1][O][N] | CC(C)(C)S(=O)(=O)c1cnc3nc1N.N13CCCC1 |
8002 | COC(=O)c1sc(SC)c(S(=O)(=O)C(C)C)c1SC | [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][S][C] | c13sc4c(S(=O)(=O)C(C)C)c15.C23=O.CO2.S4C.S5C |
8003 | CC(C)S(=O)(=O)c1cnc(N2CCCCC2)nc1N | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][N][N] | CC(C)S(=O)(=O)c1cnc3nc1N.N13CCCCC1 |
8004 | CC(C)(C)S(=O)(=O)c1cnc(N2CCCCC2)nc1N | [C][C][Branch1][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][N][N] | CC(C)(C)S(=O)(=O)c1cnc3nc1N.N13CCCCC1 |
8005 | COC(=O)COc1c(C(=O)OC)sc2ccccc12 | [C][O][C][=Branch1][C][=O][C][O][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][S][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1] | c16c7sc2ccccc12.C3(=O)C5.C47=O.CO3.O56.O4C |
8006 | CCc1cc2c(C)cc(=O)oc2cc1OCC(N)=O | [C][C][C][=C][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][Branch2][C][=C][Ring1][N][O][C][C][Branch1][C][N][=O] | c15cc2c(C)cc(=O)oc2cc14.C3C(N)=O.CC5.O34 |
8007 | O=C(CSc1cccs1)Nc1ccc(F)cc1F | [O][=C][Branch1][#Branch2][C][S][C][=C][C][=C][S][Ring1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c14ccc(F)cc1F.c15cccs1.O=C2C3.S35.N24 |
8008 | CC(C)(C)S(=O)(=O)c1cnc(-c2ccncc2)nc1N | [C][C][Branch1][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][N][N] | CC(C)(C)S(=O)(=O)c1cnc3nc1N.c13ccncc1 |
8010 | COc1ccc(C(=O)Cc2ccc3c(c2)OCCO3)c(O)c1C | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Branch1][C][O][=C][Ring2][Ring1][Ring2][C] | c16ccc2c(c1)OCCO2.c14ccc5c(O)c1C.C5(=O)C6.CO4 |
8011 | CC(C)(C)S(=O)(=O)c1cnc(-c2ccc(Cl)cc2)nc1N | [C][C][Branch1][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][=N][N] | CC(C)(C)S(=O)(=O)c1cnc3nc1N.c13ccc(Cl)cc1 |
8012 | CCc1cc(-c2onc(N)c2-c2cscn2)c(O)cc1OC | [C][C][C][=C][C][Branch2][Ring1][C][C][O][N][=C][Branch1][C][N][C][=Ring1][=Branch1][C][=C][S][C][=N][Ring1][Branch1][=C][Branch1][C][O][C][=C][Ring2][Ring1][C][O][C] | c14cc5c(O)cc13.c15onc(N)c16.c16cscn1.CC4.O3C |
8013 | Cc1cc(O)c(-c2n[nH]cc2-c2nc(C)cs2)c(O)c1 | [C][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][C][C][=N][NH1][C][=C][Ring1][Branch1][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][Branch1][C][O][=C][Ring2][Ring1][Ring1] | Cc1cc(O)c3c(O)c1.c13n[nH]cc14.c14nc(C)cs1 |
8014 | CS(=O)(=O)c1scc(-c2cccs2)c1C#N | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][S][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=Ring1][#Branch2][C][#N] | CS(=O)(=O)c1scc3c1C#N.c13cccs1 |
8015 | C[S+]([O-])c1scc(-c2cccs2)c1C#N | [C][S+1][Branch1][C][O-1][C][S][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=Ring1][#Branch2][C][#N] | C[S+]([O-])c1scc3c1C#N.c13cccs1 |
8016 | Cc1cscc1S(=O)(=O)c1ccc(Cl)cc1 | [C][C][=C][S][C][=C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1cscc1S(=O)(=O)c1ccc(Cl)cc1 |
8017 | C[S+]([O-])c1scc(-c2cccc(C(F)(F)F)c2)c1C#N | [C][S+1][Branch1][C][O-1][C][S][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=Ring1][#C][C][#N] | C[S+]([O-])c1scc4c1C#N.c14cccc3c1.C3(F)(F)F |
8018 | COc1ccc2c(c1)C(=O)C(CC1(O)C(=O)Nc3ccccc31)CC2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][Ring2][Ring1][Ring2] | c14ccc2c(c1)C(=O)C5CC2.C5C1(O)C(=O)Nc2ccccc21.CO4 |
8019 | CSc1scc(Cl)c1S(=O)(=O)C(C)C | [C][S][C][S][C][=C][Branch1][C][Cl][C][=Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C] | c12scc(Cl)c1S(=O)(=O)C(C)C.CS2 |
8020 | COc1ccc(CNC(=O)CCc2ccccc2O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][Ring1] | c14ccc6cc1.c17ccccc1O.C3(=O)CC7.CO4.C56.N35 |
8021 | CC(C)(C)NC(=O)c1ccccc1Br | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c14ccccc1Br.CC3(C)C.C24=O.N23 |
8022 | CC(C)S(=O)(=O)c1csc(C(N)=O)c1Cl | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][Branch2][Cl] | CC(C)S(=O)(=O)c1csc2c1Cl.C2(N)=O |
8024 | COc1c(C(=O)Nc2ccc(Cl)cc2)cnc2c1c(C)nn2C | [C][O][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][=C][Ring1][S][C][Branch1][C][C][=N][N][Ring1][=Branch1][C] | c14c6cnc2c1c(C)nn2C.c15ccc(Cl)cc1.C36=O.CO4.N35 |
8026 | COC(=O)c1sc(N2CCCC2)c(C#N)c1-c1cccs1 | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Branch1][Ring1][C][#N][C][=Ring1][N][C][=C][C][=C][S][Ring1][Branch1] | c15sc4c(C#N)c16.N14CCCC1.c16cccs1.C35=O.CO3 |
8029 | COC(=O)c1sc(N2CCCC2)c(S(=O)(=O)C(C)C)c1N | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][C][=Ring1][S][N] | c15sc4c(S(=O)(=O)C(C)C)c1N.N14CCCC1.C35=O.CO3 |
8030 | COC(=O)CCC(=O)Nc1ccc(C(N)=O)cc1 | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | C2(=O)CCC3=O.c14ccc5cc1.C5(N)=O.CO2.N34 |
8031 | COC(=O)CCC(=O)Nc1ccc(C(=O)c2ccccc2)cc1 | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | C3(=O)CCC4=O.c15ccc6cc1.c17ccccc1.C67=O.CO3.N45 |
8032 | COC(=O)CCC(=O)Nc1ccc(C)c(Br)c1 | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Br][=C][Ring1][Branch2] | c14ccc(C)c(Br)c1.C2(=O)CCC3=O.CO2.N34 |
8036 | Cn1nc(-c2ccc(C(N)=O)s2)cc1C(F)(F)F | [C][N][N][=C][Branch1][#C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][Ring1][Branch2][C][=C][Ring1][=N][C][Branch1][C][F][Branch1][C][F][F] | Cn1nc5cc14.c15ccc3s1.C4(F)(F)F.C3(N)=O |
8038 | CN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Branch1][C][C][N][=Ring1][#Branch2][S][Ring1][#C] | c16cc5n(C)n1.c14ccc6s1.C5(F)(F)F.CN3C.C34=O |
8039 | COC(=O)CCC(=O)Nc1ccc(S(N)(=O)=O)cc1 | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c14ccc(S(N)(=O)=O)cc1.C2(=O)CCC3=O.CO2.N34 |
8040 | CC(C)(C)c1csc(CS(=O)(=O)c2cccs2)n1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][S][C][Branch1][S][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][=C] | C4S(=O)(=O)c1cccs1.c13csc4n1.CC3(C)C |
8041 | CN(C)C(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)s1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][=Branch2][C][S][Ring1][#C] | c16cc5nn1C.c14ccc6s1.C5(F)(F)F.CN3C.C34=O |
8042 | CNC(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)s1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][N][Ring1][=Branch2][C][S][Ring1][#C] | c16cc5nn1C.c14ccc6s1.C5(F)(F)F.C34=O.CN3 |
8043 | COC(=O)CCC(=O)Oc1ccc(-c2ccccc2)cc1 | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] | C3(=O)CCC4=O.c15ccc6cc1.c16ccccc1.CO3.O45 |
8045 | Cn1nc(-c2ccccc2)c(C#N)c1S(C)(=O)=O | [C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][C][#N][=C][Ring1][=N][S][Branch1][C][C][=Branch1][C][=O][=O] | Cn1nc3c(C#N)c1S(C)(=O)=O.c13ccccc1 |
8046 | Cn1ccc(-c2cccc(NC(=O)Nc3ccccc3)c2)n1 | [C][N][C][=C][C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][=N][Ring2][Ring1][Branch1] | c18cccc6c1.Cn1ccc8n1.c17ccccc1.C45=O.N46.N57 |
8051 | COC(=O)CCC(=O)Nc1cc(Cl)cc(Cl)c1 | [C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14cc(Cl)cc(Cl)c1.C2(=O)CCC3=O.CO2.N34 |
8053 | COC(=O)c1scc(S(=O)(=O)Cc2ccco2)c1N | [C][O][C][=Branch1][C][=O][C][S][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][=C][N] | c14scc(S(=O)(=O)C5)c1N.c15ccco1.C34=O.CO3 |
8054 | Nc1nc(-c2ccncc2)ncc1S(=O)(=O)Cc1ccco1 | [N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][O][Ring1][Branch1] | Nc1nc4ncc1S(=O)(=O)C3.c14ccncc1.c13ccco1 |
8057 | CCOC(=O)c1sc(SC)c2c1CCCC2O | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][Ring1][S][C][=C][C][=Ring1][#Branch1][C][C][C][C][Ring1][=Branch1][O] | c15sc6c2c1CCCC2O.C35=O.CC4.O34.S6C |
8061 | CCOC(=O)c1sc(S(C)(=O)=O)c2c1CCCC2O | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=Ring1][=Branch2][C][C][C][C][Ring1][=Branch1][O] | c15sc(S(C)(=O)=O)c2c1CCCC2O.C35=O.CC4.O34 |
8062 | N#Cc1sc2sc(C#N)c(-c3ccco3)c2c1N | [N][#C][C][S][C][S][C][Branch1][Ring1][C][#N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=Ring1][N][C][=Ring1][#C][N] | N#Cc1sc2sc(C#N)c4c2c1N.c14ccco1 |
8063 | CC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O | [C][C][=Branch1][C][=O][N][C][S][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][C][=Ring1][=N][C][Branch1][C][N][=O] | c14sc6c(C)c15.c17ccccc1.CC3=O.C5(N)=O.N34.C67 |
8064 | CCOC(=O)c1sc(SC)c(C(C)=O)c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][Ring1][S][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=Ring1][#Branch2][C] | c14sc6c5c1C.C24=O.C5(C)=O.CC3.O23.S6C |
8065 | CCOC(=O)c1sc(SC)c(C(C)O)c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][Ring1][S][C][=C][Branch1][=Branch1][C][Branch1][C][C][O][C][=Ring1][#Branch2][C] | c14sc6c5c1C.C24=O.C5(C)O.CC3.O23.S6C |
8066 | Cc1csc2sc(C(=O)N3CCOCC3)c(C)c12 | [C][C][=C][S][C][S][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][C][C][C][Ring1][P][=Ring1][=C] | Cc1csc2sc5c(C)c12.N14CCOCC1.C45=O |
8068 | CCOC(=O)c1cnn(-c2ccc3ccccc3c2)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Ring1][#C][N] | c17ccc2ccccc2c1.c16cnn7c1N.C46=O.CC5.O45 |
8069 | C=Cc1c(S(C)(=O)=O)sc(C(=O)OCC)c1C | [C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][S][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring1][=C][C] | C=Cc1c(S(C)(=O)=O)sc4c1C.C24=O.O23.C3C |
8070 | COC(=O)c1cc(S(=O)(=O)C(C)C)c(S(C)(=O)=O)s1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][S][Ring1][#C] | c13cc(S(=O)(=O)C(C)C)c(S(C)(=O)=O)s1.C23=O.CO2 |
8071 | COC(=O)c1cc(S(=O)(=O)C(C)C)c([S+](C)[O-])s1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][=C][Branch1][=Branch1][S+1][Branch1][C][C][O-1][S][Ring1][=C] | c13cc(S(=O)(=O)C(C)C)c([S+](C)[O-])s1.C23=O.CO2 |
8072 | COc1ccc2c(c1)SC1=NS(=O)(=O)CCN12 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][S][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][Ring1][Branch2][Ring1][N] | c13ccc2c(c1)SC1=NS(=O)(=O)CCN12.CO3 |
8073 | CS(=O)(=O)c1sc(C#N)c2c1C(=O)CC(c1ccccc1)C2 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][S][C][Branch1][Ring1][C][#N][=C][C][=Ring1][#Branch1][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N] | CS(=O)(=O)c1sc(C#N)c2c1C(=O)CC3C2.c13ccccc1 |
8074 | O=C(CSc1nnc2ccccn12)Nc1ccc2c(c1)OCCO2 | [O][=C][Branch1][S][C][S][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c16nnc2ccccn12.O=C3C4.S46.N35 |
8075 | COC(=O)c1cc(-c2nc(C)cs2)c(SC)s1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][O][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][=C][Branch1][Ring1][S][C][S][Ring1][=N] | c14cc6c5s1.c16nc(C)cs1.C34=O.CO3.S5C |
8076 | N#Cc1cnn(-c2ccc(C(F)(F)F)cn2)c1N | [N][#C][C][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][=Ring1][#C][N] | N#Cc1cnn4c1N.c14ccc3cn1.C3(F)(F)F |
8077 | NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1N | [N][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][=Ring1][#C][N] | c13cnn5c1N.c15ccc4cn1.C4(F)(F)F.NC3=O |
8079 | CCOC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][=Ring1][#C][N] | c15cnn7c1N.c17ccc6cn1.C6(F)(F)F.C35=O.CC4.O34 |
8080 | Cc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | S4(=O)(=O)c1ccc2c(c1)OCCO2.Cc1ccc5cc1.N45 |
8081 | COc1ccc(NC(=O)CSc2nnc3ccccn23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c18nnc2ccccn12.c15ccc7cc1.C4(=O)C6.CO5.N47.S68 |
8082 | O=C(CSc1nnc2ccccn12)Nc1ccccc1 | [O][=C][Branch1][S][C][S][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nnc2ccccn12.c15ccccc1.O=C3C4.S46.N35 |
8083 | Cc1ccc(C2CC(=O)c3c([S+](C)[O-])sc(C#N)c3C2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][C][C][=Branch1][C][=O][C][=C][Branch1][=Branch1][S+1][Branch1][C][C][O-1][S][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch2][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | C14CC(=O)c2c([S+](C)[O-])sc(C#N)c2C1.Cc1ccc4cc1 |
8084 | Cc1nc(-n2nnc3ccccc32)c2c3c(sc2n1)CCC3 | [C][C][=N][C][Branch1][=C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][C][=C][Branch1][=Branch2][S][C][Ring1][Branch1][=N][Ring2][Ring1][C][C][C][C][Ring1][Branch2] | Cc1nc4c2c3c(sc2n1)CCC3.n14nnc2ccccc21 |
8085 | Cc1nc(-n2ncc(C#N)c2N)c2cnn(-c3ccccc3)c2n1 | [C][C][=N][C][Branch1][=N][N][N][=C][C][Branch1][Ring1][C][#N][=C][Ring1][#Branch1][N][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=N][Ring2][Ring1][#Branch1] | Cc1nc4c2cnn5c2n1.n14ncc(C#N)c1N.c15ccccc1 |
8086 | Cc1cc(C)n(-c2nc(C)nc3sc4c(c23)CCC4)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][=N][C][Branch1][C][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][Branch1][C][C][C][Ring1][=Branch1][N][=Ring2][Ring1][Ring1] | c15nc(C)nc2sc3c(c12)CCC3.Cc1cc(C)n5n1 |
8088 | CC(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Branch1][C][C][N][=Ring1][#Branch2][S][Ring1][#C] | c15cc4n(C)n1.c13ccc5s1.C4(F)(F)F.CC3=O |
8089 | O=S(=O)(Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2 | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | O=S3(=O)c1ccc2c(c1)OCCO2.c14ccc(F)cc1.N34 |
8090 | Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1N | [C][C][=N][C][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Ring1][N][C][=Branch1][C][=O][N][Ring1][P][N] | Cc1nc2scc4c2c(=O)n1N.c14ccc(F)cc1 |
8091 | Cc1nnc2c3cnn(-c4ccccc4)c3nc(C)n12 | [C][C][=N][N][=C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][Branch1][C][C][N][Ring2][Ring1][Ring1][Ring1][S] | Cc1nnc2c3cnn5c3nc(C)n12.c15ccccc1 |
8092 | C=Cc1c(S(C)(=O)=O)sc(C(=O)NC)c1C | [C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][S][C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][=C][Ring1][=N][C] | C=Cc1c(S(C)(=O)=O)sc3c1C.C23=O.N2C |
8093 | CNC(=O)CSc1nc(-c2cccc(F)c2)ccc1C#N | [C][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][C][=C][Ring1][=N][C][#N] | c15nc6ccc1C#N.c16cccc(F)c1.C3(=O)C4.CN3.S45 |
8094 | CCc1nnc2c3cnn(-c4ccccc4)c3nc(C)n12 | [C][C][C][=N][N][=C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][Branch1][C][C][N][Ring2][Ring1][Ring1][Ring1][S] | c15nnc2c3cnn6c3nc(C)n12.c16ccccc1.CC5 |
8097 | Cc1ccc(C)c(NC(=O)CSc2nnnn2-c2ccccc2)c1 | [C][C][=C][C][=C][Branch1][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] | Cc1ccc(C)c5c1.c17nnnn16.c16ccccc1.C3(=O)C4.N35.S47 |
8099 | O=C(CSc1nnc2sc3ccccc3n12)NCc1ccco1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][Ring1][=Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1] | c18nnc2sc3ccccc3n12.c17ccco1.O=C4C6.S68.N45.C57 |
8100 | CCOc1ccc(NC(=O)CSc2nnc3ccccn23)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c19nnc2ccccn12.c16ccc8cc1.C4(=O)C7.CC5.O56.N48.S79 |
8102 | Cn1nc(-c2ccc(-c3cc[nH]n3)s2)cc1C(F)(F)F | [C][N][N][=C][Branch1][P][C][=C][C][=C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][S][Ring1][#Branch2][C][=C][Ring1][#C][C][Branch1][C][F][Branch1][C][F][F] | Cn1nc5cc14.c15ccc6s1.c16cc[nH]n1.C4(F)(F)F |
8103 | O=C(NC1c2ccccc2Oc2ccccc21)c1cccnc1 | [O][=C][Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1] | N3C1c2ccccc2Oc2ccccc21.c14cccnc1.O=C34 |
8104 | Nc1ncc(S(=O)(=O)Cc2cccs2)c(N)n1 | [N][C][=N][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][N][=N][Ring1][S] | Nc1ncc(S(=O)(=O)C3)c(N)n1.c13cccs1 |
8105 | Cc1nn(Cc2nnc(-c3cccs3)o2)c(C)c1Br | [C][C][=N][N][Branch2][Ring1][C][C][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][O][Ring1][#Branch2][C][Branch1][C][C][=C][Ring1][P][Br] | Cc1nn4c(C)c1Br.c15nnc6o1.c16cccs1.C45 |
8106 | Clc1ccc(OCc2cn3cccnc3n2)cc1 | [Cl][C][=C][C][=C][Branch1][S][O][C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][=C][Ring1][P] | c16cn2cccnc2n1.Clc1ccc5cc1.O45.C46 |
8107 | O=C(NCc1cccs1)c1ccc(Cl)cc1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.c15cccs1.O=C24.N23.C35 |
8108 | CC(=O)n1ccc(-c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)n1 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][Branch1][C][C][N][=Ring1][#Branch2][S][Ring1][#C][=N][Ring2][Ring1][Ring2] | CC(=O)n1ccc5n1.c16cc4n(C)n1.c15ccc6s1.C4(F)(F)F |
8109 | CSc1sc(C#N)c2c1S(=O)(=O)N(C)c1ccccc1-2 | [C][S][C][S][C][Branch1][Ring1][C][#N][=C][C][=Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] | c13sc(C#N)c2c1S(=O)(=O)N(C)c1ccccc1-2.CS3 |
8110 | CSc1scc2c1-c1nn(C(C)=O)cc1CC2 | [C][S][C][S][C][=C][C][=Ring1][Branch1][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][Branch2][C][C][Ring1][N] | c13scc2c1-c1nn(C(C)=O)cc1CC2.CS3 |
8111 | CCOC(=O)c1sc(SC)c(S(=O)(=O)C(C)C)c1N | [C][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][N] | c14sc5c(S(=O)(=O)C(C)C)c1N.C24=O.CC3.O23.S5C |
8112 | CCOC(=O)c1cc(S(=O)(=O)C(C)C)c(SC)s1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][=C][Branch1][Ring1][S][C][S][Ring1][=N] | c14cc(S(=O)(=O)C(C)C)c5s1.C24=O.CC3.O23.S5C |
8113 | O=S(=O)(CCSc1ccc(C(F)(F)F)cn1)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][C][C][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S(=O)(CC2)c1ccccc1.c14ccc3cn1.C3(F)(F)F.S24 |
8114 | O=S(=O)(c1ccc(-c2ccccn2)s1)N1CCOCC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring1][O][N][C][C][O][C][C][Ring1][=Branch1] | O=S3(=O)c1ccc4s1.c14ccccn1.N13CCOCC1 |
8115 | O=S(=O)(c1ccc(-c2ccccn2)s1)N1CCCC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring1][O][N][C][C][C][C][Ring1][Branch1] | O=S3(=O)c1ccc4s1.c14ccccn1.N13CCCC1 |
8116 | Nc1ccccc1SC(CC(=O)c1cccs1)c1cccnc1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Branch1][=N][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | Nc1ccccc15.C24CC3=O.c14cccnc1.c13cccs1.S25 |
8118 | CN(C)S(=O)(=O)c1ccc(-c2ccccn2)s1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring1][O] | S3(=O)(=O)c1ccc4s1.c14ccccn1.CN3C |
8119 | CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2 | [C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | S4(=O)(=O)c1ccc2c(c1)OCCO2.c15ccccc1.N345.CC3 |
8120 | O=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1Cl | [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][=C][Ring1][=Branch1][Cl] | c14ccccc1Cl.c16nnnn15.c15ccccc1.O=C2C3.S36.N24 |
8121 | Cc1cc(C)n(S(=O)(=O)c2ccc(-c3ccccn3)s2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][S][Ring1][O][N][=Ring2][Ring1][Ring2] | Cc1cc(C)n(S(=O)(=O)c2ccc4s2)n1.c14ccccn1 |
8123 | COc1ccc(C=C2N=C(c3cccc(OC)c3)C(=O)O2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][N][=C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][Ring1][=C][C][=C][Ring2][Ring1][Branch1] | c14ccc(C=C2N=C(c3cccc5c3)C(=O)O2)cc1.CO4.O5C |
8124 | CSc1sc(C(=O)NCC2CC2)cc1S(=O)(=O)C(C)C | [C][S][C][S][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][=C][C][=Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C] | c17sc5cc1S(=O)(=O)C(C)C.C35=O.C16CC1.CS7.N34.C46 |
8126 | CSc1sc(C(=O)N(C)C)cc1S(=O)(=O)C(C)C | [C][S][C][S][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C] | c14sc3cc1S(=O)(=O)C(C)C.C23=O.N2(C)C.CS4 |
8127 | CCOC(=O)c1cnn(-c2ncnc3sc4c(c23)CCCC4)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][=Branch1][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=Ring2][Ring1][C][N] | c18ncnc2sc3c(c12)CCCC3.c17cnn8c1N.C57=O.CC6.O56 |
8129 | Cc1cccc(NC(=O)CSc2nnnn2-c2ccccc2)c1 | [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] | Cc1cccc5c1.c17nnnn16.c16ccccc1.C3(=O)C4.N35.S47 |
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