ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
6985 | CC(C)(C)C(=O)CC1(O)C(=O)Nc2ccc(Br)cc21 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][N] | CC(C)(C)C(=O)CC1(O)C(=O)Nc2ccc(Br)cc21 |
6987 | COc1ccccc1OCc1ccc(C(=O)Nc2ccncc2)o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][O][Ring1][=C] | c15ccccc16.c19ccc8o1.c17ccncc1.C38=O.CO5.O46.C49.N37 |
6988 | CCOC(=O)Cc1csc2nc(-c3ccccc3)nn12 | [C][C][O][C][=Branch1][C][=O][C][C][=C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O] | c16csc2nc7nn12.c17ccccc1.C4(=O)C6.CC5.O45 |
6989 | COc1ccccc1OCc1ccc(C(=O)NCc2cccnc2)o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][#C] | c15ccccc16.c19ccc8o1.c1%10cccnc1.C38=O.CO5.O46.C49.N37.C7%10 |
6990 | CCOC(=O)CSc1nc(C)cc(C)c1C(N)=O | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][C][N][=O] | c16nc(C)cc(C)c15.C2(=O)C4.C5(N)=O.CC3.O23.S46 |
6991 | Cc1ccc(C(=O)CSc2nc(C)cc(C)c2C(N)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Branch1] | c16nc(C)cc(C)c15.Cc1ccc4cc1.C4(=O)C3.C5(N)=O.S36 |
6992 | O=C(NCC1CCCO1)c1ccc(COc2cccc(Cl)c2)o1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][=C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][Ring1][=C] | c15cccc(Cl)c1.c17ccc9o1.C18CCCO1.O=C37.N36.C68.C49.O45 |
6993 | O=C(CSc1n[nH]c(=O)[nH]c1=O)Nc1cccc(C(F)(F)F)c1 | [O][=C][Branch1][#C][C][S][C][=N][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | c16n[nH]c(=O)[nH]c1=O.c14cccc5c1.O=C2C3.C5(F)(F)F.S36.N24 |
6994 | CSc1n[nH]c(=O)n1-c1cccc(C(F)(F)F)c1 | [C][S][C][=N][NH1][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | c14n[nH]c(=O)n13.c13cccc2c1.C2(F)(F)F.CS4 |
6995 | CCc1ccc(OCc2ccc(C(=O)NCc3ccccn3)o2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][O][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] | c1%11ccc6cc1.c19ccc8o1.c1%10ccccn1.C48=O.CC%11.O56.C59.N47.C7%10 |
6996 | CCC(=O)N1CCN(C(=O)CC)C1c1ccccc1 | [C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][C][C][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | N12CCN3C14.c14ccccc1.CCC2=O.C3(=O)CC |
6997 | O=C(c1cccc(F)c1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][#C] | c15cccc(F)c1.N13CCN4CC1.c16cccc(Cl)c1.O=C35.C46=O |
6998 | COc1cccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][Branch1] | c16cccc8c1.N14CCN5CC1.c17cccs1.C48=O.C57=O.CO6 |
6999 | COc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][C] | c14ccc6cc1.N13CCN5CC1.S5(C)(=O)=O.C36=O.CO4 |
7000 | CS(=O)(=O)N1CCN(C(=O)c2cccnc2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=C] | N14CCN3CC1.c15cccnc1.CS4(=O)=O.C35=O |
7001 | CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][S] | S4(=O)(=O)c1ccc(Cl)cc1.N13CCN4CC1.CS3(=O)=O |
7002 | O=C(c1cccnc1)N1CCN(C(=O)c2cccs2)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | N13CCN4CC1.c16cccnc1.c15cccs1.O=C36.C45=O |
7005 | O=C(c1ccncc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][#C] | N13CCN4CC1.c16cccc(Cl)c1.c15ccncc1.O=C35.C46=O |
7006 | O=C(c1cccc(F)c1)N1CCN(C(=O)c2cccs2)CC1 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | c16cccc(F)c1.N13CCN4CC1.c15cccs1.O=C36.C45=O |
7007 | Cc1[nH]n(-c2ccccc2)c(=O)c1Sc1n[nH]c(=O)[nH]c1=O | [C][C][NH1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][N][S][C][=N][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O] | Cc1[nH]n3c(=O)c15.c14n[nH]c(=O)[nH]c1=O.c13ccccc1.S45 |
7008 | CC(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | S4(=O)(=O)c1ccccc1.N13CCN4CC1.CC(C)CC3=O |
7009 | COc1ccccc1C(=O)N1CCN(S(C)(=O)=O)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2] | c13ccccc15.N12CCN4CC1.S4(C)(=O)=O.C25=O.CO3 |
7010 | COc1ccccc1C(=O)N1CCN(C(=O)c2cccs2)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | c15ccccc17.N13CCN4CC1.c16cccs1.C37=O.C46=O.CO5 |
7011 | Cc1ccc(C(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][S][C][=N][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][C] | c15n[nH]c(=O)[nH]c1=O.Cc1ccc4cc1.C4(=O)C3.S35 |
7012 | CC(Sc1n[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(F)cc1 | [C][C][Branch1][=C][S][C][=N][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15n[nH]c(=O)[nH]c1=O.c14ccc(F)cc1.CC3C2=O.S35.N24 |
7013 | CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][Ring2][Ring1][Ring2] | N15CCN4CC1.c16ccc7cc1.c17ccccc1.CS5(=O)=O.C46=O |
7014 | COc1cccc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][=C][Ring2][Ring1][C][O][C] | c14cccc7c15.N13CCN6CC1.S6(C)(=O)=O.C37=O.CO4.O5C |
7015 | Cc1cccc(NC(=O)C(C)Sc2n[nH]c(=O)[nH]c2=O)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][=C][Ring2][Ring1][Ring2][C] | Cc1cccc5c1C.c16n[nH]c(=O)[nH]c1=O.C3(=O)C4C.N35.S46 |
7016 | CS(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C] | N14CCN3CC1.c15ccccc1F.CS4(=O)=O.C35=O |
7018 | Cc1c(Cl)cccc1NC(=O)C(C)Sc1n[nH]c(=O)[nH]c1=O | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O] | Cc1c4cccc1Cl.c15n[nH]c(=O)[nH]c1=O.C2(=O)C3C.N24.S35 |
7019 | COc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)C)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c14ccc(S5(=O)=O)cc1.N15CCN3CC1.C3(=O)CC(C)C.CO4 |
7020 | COc1cccc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][=C][Ring2][Ring1][C] | c14cccc6c1.N13CCN5CC1.S5(C)(=O)=O.C36=O.CO4 |
7021 | CC(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][S] | S4(=O)(=O)c1ccc(Cl)cc1.N13CCN4CC1.CC(C)CC3=O |
7022 | COc1ccccc1C(=O)N1CCN(C(=O)c2cccnc2)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=C] | c15ccccc16.N13CCN4CC1.c17cccnc1.C36=O.C47=O.CO5 |
7024 | Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc(S5(=O)=O)cc1.N15CCN4CC1.c16cccnc1.C46=O |
7025 | Nc1nc(SCc2nc(-c3ccccc3)no2)n[nH]1 | [N][C][=N][C][Branch2][Ring1][Ring2][S][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=N][NH1][Ring2][Ring1][C] | Nc1nc6n[nH]1.c15nc7no1.c17ccccc1.S46.C45 |
7027 | CS(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | N14CCN3CC1.c15ccc(F)cc1.CS4(=O)=O.C35=O |
7028 | O=C(CCC1CCCC1)N1CCN(C(=O)c2cccs2)CC1 | [O][=C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | N13CCN4CC1.O=C3CC6.C16CCCC1.c15cccs1.C45=O |
7029 | CS(=O)(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring1][#C] | N14CCN3CC1.c15cccc(F)c1.CS4(=O)=O.C35=O |
7030 | Cc1ccc(OCC(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][Branch2] | Cc1ccc7cc1.N14CCN5CC1.c18cccnc1.C6C4=O.C58=O.O67 |
7031 | O=C(c1ccncc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | S4(=O)(=O)c1ccccc1.N13CCN4CC1.c15ccncc1.O=C35 |
7032 | COc1ccccc1C(=O)N1CCN(C(=O)c2ccncc2)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=C] | c15ccccc16.N13CCN4CC1.c17ccncc1.C36=O.C47=O.CO5 |
7033 | COc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][C][O][C] | c14ccc7cc15.N13CCN6CC1.S6(C)(=O)=O.C37=O.CO4.O5C |
7034 | CC(C)Sc1nnc(OC(=O)N(C)C)n1-c1ccccc1 | [C][C][Branch1][C][C][S][C][=N][N][=C][Branch1][O][O][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17nnc4n16.c16ccccc1.CC5C.C23=O.N3(C)C.S57.O24 |
7036 | COc1cc(OC)cc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2] | c14cc5cc7c1.N13CCN6CC1.S6(C)(=O)=O.C37=O.CO4.O5C |
7037 | O=C(c1ccco1)N1CCN(C(=O)c2cccs2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | N13CCN4CC1.c15ccco1.c16cccs1.O=C35.C46=O |
7038 | O=C(c1cccs1)N1CCN(S(=O)(=O)c2ccccc2)CC1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C] | S4(=O)(=O)c1ccccc1.N13CCN4CC1.c15cccs1.O=C35 |
7039 | Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)C)CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S4(=O)=O)cc1.N14CCN3CC1.C3(=O)CC(C)C |
7041 | O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2cccs2)CC1 | [O][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | c16cccc(Cl)c1.N13CCN4CC1.c15cccs1.O=C36.C45=O |
7042 | CS(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][P] | N16CCN3CC1.c15ccc(Cl)cc1.CS6(=O)=O.C3(=O)C4.O45 |
7043 | Cc1ccc(OCC(=O)Nc2nccs2)c(Br)c1 | [C][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][Branch1][C][Br][=C][Ring1][P] | Cc1ccc5c(Br)c1.c16nccs1.C4C3=O.O45.N36 |
7044 | Cc1ccc(OCC(=O)NC(C)(C)C)c(Br)c1 | [C][C][=C][C][=C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][Br][=C][Ring1][S] | Cc1ccc4c(Br)c1.C3C2=O.C5(C)(C)C.O34.N25 |
7045 | Cc1ccc(OCC(=O)N2CCOCC2)c(Br)c1 | [C][C][=C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][Br][=C][Ring1][P] | Cc1ccc5c(Br)c1.N13CCOCC1.C4C3=O.O45 |
7046 | c1ccc(-c2nnc(-c3ccccn3)n2-c2ccccn2)nc1 | [C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring2][Ring1][#Branch1] | c15nnc6n14.c1ccc5nc1.c16ccccn1.c14ccccn1 |
7047 | COC(=O)c1c(NC(=O)C(C)C)sc2c1CCCC2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][S][C][=C][Ring1][O][C][C][C][C][Ring1][=Branch1] | c16c5sc2c1CCCC2.C4(=O)C(C)C.C36=O.CO3.N45 |
7048 | COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(F)cc1 | [C][O][C][=Branch1][C][=O][C][S][C][=C][Branch1][C][C][C][=Ring1][=Branch1][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.c15scc(C)c14.C25=O.CO2.N34 |
7049 | Cc1nc2c(cnn2-c2ccccc2)c2nncn12 | [C][C][=N][C][=C][Branch1][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][N][Ring2][Ring1][C][Ring1][Branch1] | Cc1nc2c(cnn23)c2nncn12.c13ccccc1 |
7051 | Cc1nnc(SCc2ccc(C(=O)N3CCOCC3)cc2)s1 | [C][C][=N][N][=C][Branch2][Ring1][=Branch2][S][C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][S][Ring2][Ring1][Branch1] | c17ccc6cc1.Cc1nnc8s1.N14CCOCC1.C46=O.S58.C57 |
7052 | O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCCC1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1] | O=S2(=O)c1cccc3c1.N12CCCCC1.C3(F)(F)F |
7054 | Brc1ccc2nc3c(n2c1)CCCC3 | [Br][C][C][=C][C][=N][C][=C][Branch1][#Branch1][N][Ring1][Branch1][C][=Ring1][=Branch2][C][C][C][C][Ring1][Branch2] | Brc1ccc2nc3c(n2c1)CCCC3 |
7058 | CC1=C(C(=O)OC2CCCC2)C(c2cccc(O)c2)NC(=O)N1 | [C][C][=C][Branch1][=N][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1] | CC1=C(C3=O)C5NC(=O)N1.c15cccc(O)c1.C14CCCC1.O34 |
7060 | CC(C)(C)S(=O)(=O)c1ccc(S(=O)(=O)C(C)(C)C)cc1 | [C][C][Branch1][C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N] | CC(C)(C)S(=O)(=O)c1ccc(S(=O)(=O)C(C)(C)C)cc1 |
7061 | COC(=O)c1ccsc1NC(=O)c1cncc(Br)c1 | [C][O][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c16cncc(Br)c1.c15ccsc14.C25=O.C36=O.CO2.N34 |
7064 | CC(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1 | [C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c15ccc(S(N)(=O)=O)cc1.C4C3=O.CC2=O.O24.N35 |
7065 | CC(=O)Nc1ccc(NC(=O)COC(C)=O)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][O][C][Branch1][C][C][=O][C][=C][Ring1][=C] | c16ccc7cc1.C4(=O)C5.CC3=O.C2(C)=O.N36.N47.O25 |
7066 | CC1=C(C(=O)OC(C)C)C(c2cccc(Cl)c2)NC(=O)N1 | [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][C][=Branch1][C][=O][N][Ring2][Ring1][Ring2] | CC1=C(C3=O)C5NC(=O)N1.c15cccc(Cl)c1.C4(C)C.O34 |
7067 | CCOC(=O)c1cnn(-c2ncnc3sccc23)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][=C][C][=N][C][=N][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=Ring1][=C][N] | c17ncnc2sccc12.c16cnn7c1N.C46=O.CC5.O45 |
7068 | O=S(=O)(NC(O)C(Cl)(Cl)Cl)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][=C][N][C][Branch1][C][O][C][Branch1][C][Cl][Branch1][C][Cl][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S3(=O)c1ccccc1.C2(O)C(Cl)(Cl)Cl.N23 |
7069 | c1ccc(-n2nnnc2Sc2ncnc3sccc23)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][S][C][=N][C][=N][C][S][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] | c16ncnc2sccc12.c1ccc4cc1.n14nnnc15.S56 |
7070 | COC(NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl | [C][O][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][Cl][Branch1][C][Cl][Cl] | S4(=O)(=O)c1ccccc1.C23C(Cl)(Cl)Cl.CO2.N34 |
7072 | CCc1ccc(C2NC(=O)NC(C)=C2C(=O)OCC2CCCO2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] | C17NC(=O)NC(C)=C1C3=O.c16ccc7cc1.C15CCCO1.CC6.O34.C45 |
7073 | CCOc1c(C(C)=O)c(=O)[nH]c2scc(C)c12 | [C][C][O][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=Branch1][C][=O][NH1][C][S][C][=C][Branch1][C][C][C][Ring1][=C][=Ring1][=Branch1] | c14c5c(=O)[nH]c2scc(C)c12.C5(C)=O.CC3.O34 |
7074 | CC1=C(C(=O)OC2CCCC2)C(c2ccc(O)cc2)NC(=O)N1 | [C][C][=C][Branch1][=N][C][=Branch1][C][=O][O][C][C][C][C][C][Ring1][Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1] | CC1=C(C3=O)C5NC(=O)N1.c15ccc(O)cc1.C14CCCC1.O34 |
7077 | Nc1ncc(C(=O)OCc2ccc(Cl)cc2)c(C(F)(F)F)n1 | [N][C][=N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Branch1] | Nc1ncc5c6n1.c17ccc(Cl)cc1.C6(F)(F)F.C35=O.O34.C47 |
7078 | COc1ccc(C(=O)Nc2nc(C)cc(C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring1][P] | c15nc(C)cc(C)n1.c14ccc6cc1.C36=O.CO4.N35 |
7079 | COC(=O)c1sc(OC)cc1OC(=O)c1cccs1 | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][Ring1][O][C][=C][C][=Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | c16sc4cc15.c17cccs1.C26=O.C37=O.CO2.O4C.O35 |
7080 | COc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring2][Ring1][C] | c13ccc(S4(=O)=O)cc1.c15nc(C)cc(C)n1.CO3.N45 |
7081 | CCOC(=O)c1c(NC(=O)Oc2ccccc2)sc(C(C)=O)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][#C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring2][Ring1][C][C] | c1%10c8sc9c1C.c17ccccc1.C3%10=O.C45=O.C9(C)=O.CC6.O36.N58.O47 |
7083 | COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c17cc4c5cc16.c18ccc(C)cc1.C27=O.C38=O.CO2.O4C.O5C.N36 |
7087 | CCOC(=O)c1cc(=O)c2cc(Cl)ccc2o1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][N] | c15cc(=O)c2cc(Cl)ccc2o1.C35=O.CC4.O34 |
7088 | Cc1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2][C] | Cc1ccc5cc1C.c16ccc7cc1.C4C3=O.C7(N)=O.O45.N36 |
7089 | NC(=O)c1ccc(NC(=O)COc2cccc(Cl)c2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c17ccc6cc1.c15cccc(Cl)c1.C3(=O)C4.NC7=O.N36.O45 |
7090 | CC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 | [C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][S][Ring1][=N] | c14nc2ccc(S(C)(=O)=O)cc2s1.CC3=O.N34 |
7091 | NC(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2Cl)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][Ring1] | c15cc(Cl)ccc1Cl.c17ccc6cc1.C3(=O)C4.NC7=O.N36.O45 |
7092 | CCOc1ccc(C(=O)Nc2cc(C)on2)cc1OCC | [C][C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring1][#C][O][C][C] | c16ccc9cc17.c18cc(C)on1.C39=O.CC4.O46.N38.O57.C5C |
7093 | CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(C(N)=O)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | c17ccccc14.c15ccc6cc1.CC7(C)C.C3C2=O.C6(N)=O.O34.N25 |
7094 | Cn1c(=O)c2c(ncn2CC(=O)Nc2nncs2)n(C)c1=O | [C][N][C][=Branch1][C][=O][C][=C][Branch2][Ring1][Ring1][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=N][N][=C][S][Ring1][Branch1][N][Branch1][C][C][C][Ring2][Ring1][Ring2][=O] | Cn1c(=O)c2c(ncn25)n(C)c1=O.c14nncs1.C5C3=O.N34 |
7095 | CCOc1ccccc1OCC(=O)Nc1ccc(C(N)=O)cc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] | c15ccccc16.c17ccc8cc1.C4C2=O.C8(N)=O.CC3.O35.O46.N27 |
7096 | COCC(C)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n16cnc2c1c(=O)n(C)c(=O)n2C.C4C5C.C3(=O)C6.CO4.N35 |
7097 | COc1cc(C(=O)Nc2cc(C)on2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c14cc8cc5c16.c17cc(C)on1.C38=O.CO4.N37.O5C.O6C |
7098 | Cc1nnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][S][Ring2][Ring1][=Branch1] | C4(=O)C1c2ccccc2Oc2ccccc21.Cc1nnc5s1.N45 |
7099 | NC(=O)c1ccccc1NC(=O)COc1cc(Cl)ccc1Cl | [N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl] | c14cc(Cl)ccc1Cl.c16ccccc15.C2(=O)C3.NC6=O.N25.O34 |
7100 | CC(=O)Nc1nonc1NC(=O)c1sc2ccccc2c1Cl | [C][C][=Branch1][C][=O][N][C][=N][O][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl] | c17sc2ccccc2c1Cl.c15nonc16.CC3=O.C47=O.N35.N46 |
7101 | COCC(C)NC(=O)C1c2ccccc2Oc2ccccc21 | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | C3(=O)C1c2ccccc2Oc2ccccc21.C4C5C.CO4.N35 |
7102 | CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(N)=O | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] | c17ccccc14.c15ccccc16.CC7(C)C.C3C2=O.C6(N)=O.O34.N25 |
7103 | COC(=O)CNS(=O)(=O)c1ccsc1C(=O)OC | [C][O][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][O][C] | S5(=O)(=O)c1ccsc16.C2(=O)C4.C36=O.CO2.N45.O3C |
7104 | Cc1cc(Cl)ccc1OC(C)C(=O)Nc1ccccc1C(N)=O | [C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] | Cc1cc(Cl)ccc14.c15ccccc16.C3(C)C2=O.C6(N)=O.O34.N25 |
7105 | Cc1cc(C)c(C(=O)Nc2ccccc2C(N)=O)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1cc(C)c5c(C)c1.c14ccccc16.C35=O.C6(N)=O.N34 |
7106 | COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(C)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c17cc4c5cc16.c18cccc(C)c1.C27=O.C38=O.CO2.O4C.O5C.N36 |
7107 | COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(C)(C)C | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C] | c17cc4c5cc16.C3(=O)C(C)(C)C.C27=O.CO2.O4C.O5C.N36 |
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