EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CN(C)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)s1
SELFIES: [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][N][=N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][S][Ring1][S]
InChI: InChI=1S/C12H12N4O2S/c1-15(2)12-8-7-11(19-12)14-13-9-3-5-10(6-4-9)16(17)18/h3-8H,1-2H3
SMILES: O=[N+]([O-])c1ccc(N=Nc2ccc(N(CCO)CCO)s2)cc1
SELFIES: [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][Branch1][N][=N][C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][O][C][C][O][S][Ring1][N][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C14H16N4O4S/c19-9-7-17(8-10-20)14-6-5-13(23-14)16-15-11-1-3-12(4-2-11)18(21)22/h1-6,19-20H,7-10H2
SMILES: CCN(CC)c1ccc(N=Nc2sc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][=N][C][S][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=Ring1][Branch2][N+1][=Branch1][C][=O][O-1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C15H17N5O4S/c1-4-18(5-2)11-6-7-12(10(3)8-11)16-17-15-13(19(21)22)9-14(25-15)20(23)24/h6-9H,4-5H2,1-3H3
SMILES: Cc1cc(N(CCO)CCO)ccc1N=Nc1sc([N+](=O)[O-])cc1[N+](=O)[O-]
SELFIES: [C][C][=C][C][Branch1][#Branch2][N][Branch1][Ring2][C][C][O][C][C][O][=C][C][=C][Ring1][=N][N][=N][C][S][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=Ring1][Branch2][N+1][=Branch1][C][=O][O-1]
InChI: InChI=1S/C15H17N5O6S/c1-10-8-11(18(4-6-21)5-7-22)2-3-12(10)16-17-15-13(19(23)24)9-14(27-15)20(25)26/h2-3,8-9,21-22H,4-7H2,1H3
SMILES: CCN(CC)c1ccc(N=Nc2c(C#N)cc([N+](=O)[O-])cc2C#N)c(OC)c1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][=N][C][=C][Branch1][Ring1][C][#N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][O][C][#N][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C19H18N6O3/c1-4-24(5-2)15-6-7-17(18(10-15)28-3)22-23-19-13(11-20)8-16(25(26)27)9-14(19)12-21/h6-10H,4-5H2,1-3H3
SMILES: COc1cc(N(CCO)CCO)ccc1N=Nc1c(C#N)cc([N+](=O)[O-])cc1C#N
SELFIES: [C][O][C][=C][C][Branch1][#Branch2][N][Branch1][Ring2][C][C][O][C][C][O][=C][C][=C][Ring1][=N][N][=N][C][=C][Branch1][Ring1][C][#N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][O][C][#N]
InChI: InChI=1S/C19H18N6O5/c1-30-18-10-15(24(4-6-26)5-7-27)2-3-17(18)22-23-19-13(11-20)8-16(25(28)29)9-14(19)12-21/h2-3,8-10,26-27H,4-7H2,1H3
SMILES: CCN(CC)c1cc(OC)c(N=Nc2c(C#N)cc([N+](=O)[O-])cc2C#N)cc1OC
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch2][Ring1][Branch2][N][=N][C][=C][Branch1][Ring1][C][#N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][O][C][#N][C][=C][Ring2][Ring1][#Branch1][O][C]
InChI: InChI=1S/C20H20N6O4/c1-5-25(6-2)17-10-18(29-3)16(9-19(17)30-4)23-24-20-13(11-21)7-15(26(27)28)8-14(20)12-22/h7-10H,5-6H2,1-4H3
SMILES: COc1cc(N(CCO)CCO)c(OC)cc1N=Nc1c(C#N)cc([N+](=O)[O-])cc1C#N
SELFIES: [C][O][C][=C][C][Branch1][#Branch2][N][Branch1][Ring2][C][C][O][C][C][O][=C][Branch1][Ring1][O][C][C][=C][Ring1][#C][N][=N][C][=C][Branch1][Ring1][C][#N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][O][C][#N]
InChI: InChI=1S/C20H20N6O6/c1-31-18-10-17(25(3-5-27)4-6-28)19(32-2)9-16(18)23-24-20-13(11-21)7-15(26(29)30)8-14(20)12-22/h7-10,27-28H,3-6H2,1-2H3
SMILES: CC(=N\C1C(=O)c2ccccc2C1=O)/C(C)=N/N1C(=O)c2ccccc2C1=O
SELFIES: [C][C][=Branch2][Ring1][Ring1][=N][\C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][/C][Branch1][C][C][=N][/N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O]
InChI: InChI=1S/C21H15N3O4/c1-11(22-17-18(25)13-7-3-4-8-14(13)19(17)26)12(2)23-24-20(27)15-9-5-6-10-16(15)21(24)28/h3-10,17H,1-2H3/b22-11+,23-12+
SMILES: Cc1cccc(C)c1/N=C(/NNc1ccccc1)C(F)(F)F
SELFIES: [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][/N][=C][Branch1][O][/N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]
InChI: InChI=1S/C16H16F3N3/c1-11-7-6-8-12(2)14(11)20-15(16(17,18)19)22-21-13-9-4-3-5-10-13/h3-10,21H,1-2H3,(H,20,22)
SMILES: CC(=O)/C(C)=N/n1c(-c2ccccc2)ccc1-c1ccccc1
SELFIES: [C][C][=Branch1][C][=O][/C][Branch1][C][C][=N][/N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C20H18N2O/c1-15(16(2)23)21-22-19(17-9-5-3-6-10-17)13-14-20(22)18-11-7-4-8-12-18/h3-14H,1-2H3/b21-15+
SMILES: CCOC(=O)C(CC(=O)c1ccccc1)C(=O)c1cccc2ccccc12
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
InChI: InChI=1S/C23H20O4/c1-2-27-23(26)20(15-21(24)17-10-4-3-5-11-17)22(25)19-14-8-12-16-9-6-7-13-18(16)19/h3-14,20H,2,15H2,1H3
SMILES: CCOC(=O)c1cc(-c2ccccc2)n(N)c1-c1cccc2ccccc12
SELFIES: [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][N][C][=Ring1][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
InChI: InChI=1S/C23H20N2O2/c1-2-27-23(26)20-15-21(17-10-4-3-5-11-17)25(24)22(20)19-14-8-12-16-9-6-7-13-18(16)19/h3-15H,2,24H2,1H3
SMILES: CCOC(=O)c1cc(-c2ccccc2)n(/N=C(C)/C(C)=N/n2c(-c3ccccc3)ccc2-c2ccccc2)c1-c1cccc2ccccc12
SELFIES: [C][C][O][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring2][Ring2][/N][=C][Branch1][C][C][/C][Branch1][C][C][=N][/N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring2][Ring2][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
InChI: InChI=1S/C43H36N4O2/c1-4-49-43(48)38-29-41(35-22-12-7-13-23-35)47(42(38)37-26-16-24-32-17-14-15-25-36(32)37)45-31(3)30(2)44-46-39(33-18-8-5-9-19-33)27-28-40(46)34-20-10-6-11-21-34/h5-29H,4H2,1-3H3/b44-30+,45-31+
SMILES: Nc1c(-c2ccc(C(F)(F)F)cc2)cccc1-c1ccc(C(F)(F)F)cc1
SELFIES: [N][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][Ring1][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
InChI: InChI=1S/C20H13F6N/c21-19(22,23)14-8-4-12(5-9-14)16-2-1-3-17(18(16)27)13-6-10-15(11-7-13)20(24,25)26/h1-11H,27H2
SMILES: CC(=O)Nc1c(-c2ccc(C(F)(F)F)cc2)cccc1-c1ccc(C(F)(F)F)cc1
SELFIES: [C][C][=Branch1][C][=O][N][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][Ring1][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
InChI: InChI=1S/C22H15F6NO/c1-13(30)29-20-18(14-5-9-16(10-6-14)21(23,24)25)3-2-4-19(20)15-7-11-17(12-8-15)22(26,27)28/h2-12H,1H3,(H,29,30)
SMILES: C/C(Cl)=N\c1c(-c2ccc(C(F)(F)F)cc2)cccc1-c1ccc(C(F)(F)F)cc1
SELFIES: [C][/C][Branch1][C][Cl][=N][\C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][Ring1][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
InChI: InChI=1S/C22H14ClF6N/c1-13(23)30-20-18(14-5-9-16(10-6-14)21(24,25)26)3-2-4-19(20)15-7-11-17(12-8-15)22(27,28)29/h2-12H,1H3/b30-13+
SMILES: c1ccc(-c2cccc(-c3ccccc3)c2/N=C2\SCCS\C2=N/c2c(-c3ccccc3)cccc2-c2ccccc2)cc1
SELFIES: [C][=C][C][=C][Branch2][Branch1][#Branch1][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][/N][=C][\S][C][C][S][\C][Ring1][=Branch1][=N][/C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][N]
InChI: InChI=1S/C40H30N2S2/c1-5-15-29(16-6-1)33-23-13-24-34(30-17-7-2-8-18-30)37(33)41-39-40(44-28-27-43-39)42-38-35(31-19-9-3-10-20-31)25-14-26-36(38)32-21-11-4-12-22-32/h1-26H,27-28H2/b41-39-,42-40-
SMILES: Cc1cc(-c2ccccc2)c(/N=C2\SCCS\C2=N/c2c(-c3ccccc3)cc(C)cc2-c2ccccc2)c(-c2ccccc2)c1
SELFIES: [C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch2][Ring2][Branch2][/N][=C][\S][C][C][S][\C][Ring1][=Branch1][=N][/C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][C][C][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][=N]
InChI: InChI=1S/C42H34N2S2/c1-29-25-35(31-15-7-3-8-16-31)39(36(26-29)32-17-9-4-10-18-32)43-41-42(46-24-23-45-41)44-40-37(33-19-11-5-12-20-33)27-30(2)28-38(40)34-21-13-6-14-22-34/h3-22,25-28H,23-24H2,1-2H3/b43-41-,44-42-
SMILES: [NH3+]NNC(Cc1cccc2[nH]ccc12)C(=O)[O-]
SELFIES: [NH3+1][N][N][C][Branch1][#C][C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=Branch1][C][=O][O-1]
InChI: InChI=1S/C11H14N4O2/c12-15-14-10(11(16)17)6-7-2-1-3-9-8(7)4-5-13-9/h1-5,10,13-15H,6,12H2,(H,16,17)
SMILES: Cc1ccc(-c2ccccc2)cc1
SELFIES: [C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N]
InChI: InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3
SMILES: Cc1cccc2nonc12
SELFIES: [C][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1]
InChI: InChI=1S/C7H6N2O/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3
SMILES: Cc1ccc([N+](=O)[O-])cc1
SELFIES: [C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
InChI: InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
SMILES: Cc1ccc(S(C)(=O)=O)cc1
SELFIES: [C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]
InChI: InChI=1S/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H3
SMILES: CNS(=O)(=O)c1ccccc1
SELFIES: [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C7H9NO2S/c1-8-11(9,10)7-5-3-2-4-6-7/h2-6,8H,1H3
SMILES: CCc1ccccc1C(N)=O
SELFIES: [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O]
InChI: InChI=1S/C9H11NO/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
SMILES: CCc1cccc(F)c1OC
SELFIES: [C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][C]
InChI: InChI=1S/C9H11FO/c1-3-7-5-4-6-8(10)9(7)11-2/h4-6H,3H2,1-2H3
SMILES: CC(C)(C)N1CCc2ccccc2C1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2]
InChI: InChI=1S/C13H19N/c1-13(2,3)14-9-8-11-6-4-5-7-12(11)10-14/h4-7H,8-10H2,1-3H3
SMILES: CC(C)(C)N1CCCc2ccccc21
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]
InChI: InChI=1S/C13H19N/c1-13(2,3)14-10-6-8-11-7-4-5-9-12(11)14/h4-5,7,9H,6,8,10H2,1-3H3
SMILES: CCC(CC)n1cc(Cl)nc(N2CCc3cc(Cl)cc(Cl)c32)c1=O
SELFIES: [C][C][C][Branch1][Ring1][C][C][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Ring1][O][C][Ring2][Ring1][C][=O]
InChI: InChI=1S/C17H18Cl3N3O/c1-3-12(4-2)23-9-14(20)21-16(17(23)24)22-6-5-10-7-11(18)8-13(19)15(10)22/h7-9,12H,3-6H2,1-2H3
SMILES: CCC(CCOC)n1cc(Cl)nc(N2CCc3cc(Cl)cc(Cl)c32)c1=O
SELFIES: [C][C][C][Branch1][Branch1][C][C][O][C][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Ring1][O][C][Ring2][Ring1][C][=O]
InChI: InChI=1S/C18H20Cl3N3O2/c1-3-13(5-7-26-2)24-10-15(21)22-17(18(24)25)23-6-4-11-8-12(19)9-14(20)16(11)23/h8-10,13H,3-7H2,1-2H3
SMILES: CCC(CC)n1cc(Cl)nc(N2CCc3cc(OC)cc(C)c32)c1=O
SELFIES: [C][C][C][Branch1][Ring1][C][C][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Branch1][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][C][=C][Ring1][=Branch2][Ring1][N][C][Ring2][Ring1][Ring1][=O]
InChI: InChI=1S/C19H24ClN3O2/c1-5-14(6-2)23-11-16(20)21-18(19(23)24)22-8-7-13-10-15(25-4)9-12(3)17(13)22/h9-11,14H,5-8H2,1-4H3
SMILES: CCC(CC)n1cc(Cl)nc(N2CCc3cc(OC)cc(Br)c32)c1=O
SELFIES: [C][C][C][Branch1][Ring1][C][C][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Branch1][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][Br][=C][Ring1][=Branch2][Ring1][N][C][Ring2][Ring1][Ring1][=O]
InChI: InChI=1S/C18H21BrClN3O2/c1-4-12(5-2)23-10-15(20)21-17(18(23)24)22-7-6-11-8-13(25-3)9-14(19)16(11)22/h8-10,12H,4-7H2,1-3H3
SMILES: CCC(C)n1cc(Cl)nc(N2CCc3cc(OC)cc(Cl)c32)c1=O
SELFIES: [C][C][C][Branch1][C][C][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Branch1][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][Ring1][N][C][Ring2][Ring1][Ring1][=O]
InChI: InChI=1S/C17H19Cl2N3O2/c1-4-10(2)22-9-14(19)20-16(17(22)23)21-6-5-11-7-12(24-3)8-13(18)15(11)21/h7-10H,4-6H2,1-3H3
SMILES: CCC(C)n1cc(Cl)nc(N2CCc3cc(OC)cc(Br)c32)c1=O
SELFIES: [C][C][C][Branch1][C][C][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Branch1][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][Br][=C][Ring1][=Branch2][Ring1][N][C][Ring2][Ring1][Ring1][=O]
InChI: InChI=1S/C17H19BrClN3O2/c1-4-10(2)22-9-14(19)20-16(17(22)23)21-6-5-11-7-12(24-3)8-13(18)15(11)21/h7-10H,4-6H2,1-3H3
SMILES: CCC(C)n1cc(Cl)nc(N2CCc3cc(OC)cc(C)c32)c1=O
SELFIES: [C][C][C][Branch1][C][C][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Branch1][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][C][=C][Ring1][=Branch2][Ring1][N][C][Ring2][Ring1][Ring1][=O]
InChI: InChI=1S/C18H22ClN3O2/c1-5-12(3)22-10-15(19)20-17(18(22)23)21-7-6-13-9-14(24-4)8-11(2)16(13)21/h8-10,12H,5-7H2,1-4H3
SMILES: CCC(C)n1cc(Cl)nc(N2CCc3cc(Cl)cc(Cl)c32)c1=O
SELFIES: [C][C][C][Branch1][C][C][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Ring1][O][C][Ring2][Ring1][C][=O]
InChI: InChI=1S/C16H16Cl3N3O/c1-3-9(2)22-8-13(19)20-15(16(22)23)21-5-4-10-6-11(17)7-12(18)14(10)21/h6-9H,3-5H2,1-2H3
SMILES: CCC(CC)n1cc(Br)nc(N2CCc3cc(OC)cc(Br)c32)c1=O
SELFIES: [C][C][C][Branch1][Ring1][C][C][N][C][=C][Branch1][C][Br][N][=C][Branch2][Ring1][Branch1][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][Br][=C][Ring1][=Branch2][Ring1][N][C][Ring2][Ring1][Ring1][=O]
InChI: InChI=1S/C18H21Br2N3O2/c1-4-12(5-2)23-10-15(20)21-17(18(23)24)22-7-6-11-8-13(25-3)9-14(19)16(11)22/h8-10,12H,4-7H2,1-3H3
SMILES: CCC(CC)n1cc(Br)nc(N2CCc3cc(OC)cc(C)c32)c1=O
SELFIES: [C][C][C][Branch1][Ring1][C][C][N][C][=C][Branch1][C][Br][N][=C][Branch2][Ring1][Branch1][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][C][=C][Ring1][=Branch2][Ring1][N][C][Ring2][Ring1][Ring1][=O]
InChI: InChI=1S/C19H24BrN3O2/c1-5-14(6-2)23-11-16(20)21-18(19(23)24)22-8-7-13-10-15(25-4)9-12(3)17(13)22/h9-11,14H,5-8H2,1-4H3
SMILES: CC[C@H](C1CC1)n1cc(Cl)nc(N2CCc3cc(OC)cc(Cl)c32)c1=O
SELFIES: [C][C][C@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Branch1][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][Ring1][N][C][Ring2][Ring1][Ring1][=O]
InChI: InChI=1S/C19H21Cl2N3O2/c1-3-15(11-4-5-11)24-10-16(21)22-18(19(24)25)23-7-6-12-8-13(26-2)9-14(20)17(12)23/h8-11,15H,3-7H2,1-2H3/t15-/m1/s1
SMILES: CC[C@H](C1CC1)n1cc(Cl)nc(N2CCc3cc(OC)cc(Br)c32)c1=O
SELFIES: [C][C][C@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Branch1][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][Br][=C][Ring1][=Branch2][Ring1][N][C][Ring2][Ring1][Ring1][=O]
InChI: InChI=1S/C19H21BrClN3O2/c1-3-15(11-4-5-11)24-10-16(21)22-18(19(24)25)23-7-6-12-8-13(26-2)9-14(20)17(12)23/h8-11,15H,3-7H2,1-2H3/t15-/m1/s1
SMILES: CC[C@H](C1CC1)n1cc(Cl)nc(N2CCc3cc(OC)cc(C)c32)c1=O
SELFIES: [C][C][C@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Branch1][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][C][=C][Ring1][=Branch2][Ring1][N][C][Ring2][Ring1][Ring1][=O]
InChI: InChI=1S/C20H24ClN3O2/c1-4-16(13-5-6-13)24-11-17(21)22-19(20(24)25)23-8-7-14-10-15(26-3)9-12(2)18(14)23/h9-11,13,16H,4-8H2,1-3H3/t16-/m1/s1
SMILES: CC[C@H](C1CC1)n1cc(Cl)nc(N2CCc3cc(Cl)cc(Cl)c32)c1=O
SELFIES: [C][C][C@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Ring1][O][C][Ring2][Ring1][C][=O]
InChI: InChI=1S/C18H18Cl3N3O/c1-2-14(10-3-4-10)24-9-15(21)22-17(18(24)25)23-6-5-11-7-12(19)8-13(20)16(11)23/h7-10,14H,2-6H2,1H3/t14-/m1/s1
SMILES: CC[C@H](C1CC1)n1cc(Cl)nc(N2CCc3cc(Br)cc(Br)c32)c1=O
SELFIES: [C][C][C@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2][Ring1][O][C][Ring2][Ring1][C][=O]
InChI: InChI=1S/C18H18Br2ClN3O/c1-2-14(10-3-4-10)24-9-15(21)22-17(18(24)25)23-6-5-11-7-12(19)8-13(20)16(11)23/h7-10,14H,2-6H2,1H3/t14-/m1/s1
SMILES: CC[C@H](C1CC1)n1cc(Cl)nc(N2CCc3cc(OC)c(F)c(Cl)c32)c1=O
SELFIES: [C][C][C@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Branch2][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][#Branch2][Ring1][=N][C][Ring2][Ring1][Ring2][=O]
InChI: InChI=1S/C19H20Cl2FN3O2/c1-3-12(10-4-5-10)25-9-14(20)23-18(19(25)26)24-7-6-11-8-13(27-2)16(22)15(21)17(11)24/h8-10,12H,3-7H2,1-2H3/t12-/m1/s1
SMILES: CC[C@@H](C1CC1)n1cc(Cl)nc(N2CCc3cc(OC)cc(Cl)c32)c1=O
SELFIES: [C][C][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Branch1][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][Ring1][N][C][Ring2][Ring1][Ring1][=O]
InChI: InChI=1S/C19H21Cl2N3O2/c1-3-15(11-4-5-11)24-10-16(21)22-18(19(24)25)23-7-6-12-8-13(26-2)9-14(20)17(12)23/h8-11,15H,3-7H2,1-2H3/t15-/m0/s1
SMILES: CC[C@@H](C1CC1)n1cc(Cl)nc(N2CCc3cc(OC)cc(Br)c32)c1=O
SELFIES: [C][C][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Branch1][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][Br][=C][Ring1][=Branch2][Ring1][N][C][Ring2][Ring1][Ring1][=O]
InChI: InChI=1S/C19H21BrClN3O2/c1-3-15(11-4-5-11)24-10-16(21)22-18(19(24)25)23-7-6-12-8-13(26-2)9-14(20)17(12)23/h8-11,15H,3-7H2,1-2H3/t15-/m0/s1
SMILES: CC[C@@H](C1CC1)n1cc(Cl)nc(N2CCc3cc(OC)cc(C)c32)c1=O
SELFIES: [C][C][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Branch1][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][C][=C][Ring1][=Branch2][Ring1][N][C][Ring2][Ring1][Ring1][=O]
InChI: InChI=1S/C20H24ClN3O2/c1-4-16(13-5-6-13)24-11-17(21)22-19(20(24)25)23-8-7-14-10-15(26-3)9-12(2)18(14)23/h9-11,13,16H,4-8H2,1-3H3/t16-/m0/s1
SMILES: CC[C@@H](C1CC1)n1cc(Cl)nc(N2CCc3cc(Cl)cc(Cl)c32)c1=O
SELFIES: [C][C][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Ring1][O][C][Ring2][Ring1][C][=O]
InChI: InChI=1S/C18H18Cl3N3O/c1-2-14(10-3-4-10)24-9-15(21)22-17(18(24)25)23-6-5-11-7-12(19)8-13(20)16(11)23/h7-10,14H,2-6H2,1H3/t14-/m0/s1
SMILES: CC[C@@H](C1CC1)n1cc(Cl)nc(N2CCc3cc(Br)cc(Br)c32)c1=O
SELFIES: [C][C][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2][Ring1][O][C][Ring2][Ring1][C][=O]
InChI: InChI=1S/C18H18Br2ClN3O/c1-2-14(10-3-4-10)24-9-15(21)22-17(18(24)25)23-6-5-11-7-12(19)8-13(20)16(11)23/h7-10,14H,2-6H2,1H3/t14-/m0/s1
SMILES: CC[C@@H](C1CC1)n1cc(Cl)nc(N2CCc3cc(OC)c(F)c(Cl)c32)c1=O
SELFIES: [C][C][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Branch2][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][#Branch2][Ring1][=N][C][Ring2][Ring1][Ring2][=O]
InChI: InChI=1S/C19H20Cl2FN3O2/c1-3-12(10-4-5-10)25-9-14(20)23-18(19(25)26)24-7-6-11-8-13(27-2)16(22)15(21)17(11)24/h8-10,12H,3-7H2,1-2H3/t12-/m0/s1
SMILES: COC[C@@H](C)n1cc(Cl)nc(N2CCc3cc(Cl)cc(Cl)c32)c1=O
SELFIES: [C][O][C][C@@H1][Branch1][C][C][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Ring1][O][C][Ring2][Ring1][C][=O]
InChI: InChI=1S/C16H16Cl3N3O2/c1-9(8-24-2)22-7-13(19)20-15(16(22)23)21-4-3-10-5-11(17)6-12(18)14(10)21/h5-7,9H,3-4,8H2,1-2H3/t9-/m1/s1
SMILES: COC[C@@H](C)n1cc(Cl)nc(N2CCc3cc(Br)cc(Br)c32)c1=O
SELFIES: [C][O][C][C@@H1][Branch1][C][C][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2][Ring1][O][C][Ring2][Ring1][C][=O]
InChI: InChI=1S/C16H16Br2ClN3O2/c1-9(8-24-2)22-7-13(19)20-15(16(22)23)21-4-3-10-5-11(17)6-12(18)14(10)21/h5-7,9H,3-4,8H2,1-2H3/t9-/m1/s1
SMILES: CCC(COC)n1cc(Cl)nc(N2CCc3cc(OC)c(F)c(Cl)c32)c1=O
SELFIES: [C][C][C][Branch1][Ring2][C][O][C][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Branch2][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][#Branch2][Ring1][=N][C][Ring2][Ring1][Ring2][=O]
InChI: InChI=1S/C18H20Cl2FN3O3/c1-4-11(9-26-2)24-8-13(19)22-17(18(24)25)23-6-5-10-7-12(27-3)15(21)14(20)16(10)23/h7-8,11H,4-6,9H2,1-3H3
SMILES: CC[C@H](COC)n1cc(Cl)nc(N2CCc3cc(Cl)cc(Cl)c32)c1=O
SELFIES: [C][C][C@H1][Branch1][Ring2][C][O][C][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Ring1][O][C][Ring2][Ring1][C][=O]
InChI: InChI=1S/C17H18Cl3N3O2/c1-3-12(9-25-2)23-8-14(20)21-16(17(23)24)22-5-4-10-6-11(18)7-13(19)15(10)22/h6-8,12H,3-5,9H2,1-2H3/t12-/m1/s1
SMILES: CC[C@H](COC)n1cc(Br)nc(N2CCc3cc(OC)cc(Br)c32)c1=O
SELFIES: [C][C][C@H1][Branch1][Ring2][C][O][C][N][C][=C][Branch1][C][Br][N][=C][Branch2][Ring1][Branch1][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][Br][=C][Ring1][=Branch2][Ring1][N][C][Ring2][Ring1][Ring1][=O]
InChI: InChI=1S/C18H21Br2N3O3/c1-4-12(10-25-2)23-9-15(20)21-17(18(23)24)22-6-5-11-7-13(26-3)8-14(19)16(11)22/h7-9,12H,4-6,10H2,1-3H3/t12-/m1/s1
SMILES: CC[C@H](COC)n1cc(Br)nc(N2CCc3cc(OC)cc(C)c32)c1=O
SELFIES: [C][C][C@H1][Branch1][Ring2][C][O][C][N][C][=C][Branch1][C][Br][N][=C][Branch2][Ring1][Branch1][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][C][=C][Ring1][=Branch2][Ring1][N][C][Ring2][Ring1][Ring1][=O]
InChI: InChI=1S/C19H24BrN3O3/c1-5-14(11-25-3)23-10-16(20)21-18(19(23)24)22-7-6-13-9-15(26-4)8-12(2)17(13)22/h8-10,14H,5-7,11H2,1-4H3/t14-/m1/s1
SMILES: CC[C@H](COC)n1cc(Br)nc(N2CCc3cc(Cl)cc(Cl)c32)c1=O
SELFIES: [C][C][C@H1][Branch1][Ring2][C][O][C][N][C][=C][Branch1][C][Br][N][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Ring1][O][C][Ring2][Ring1][C][=O]
InChI: InChI=1S/C17H18BrCl2N3O2/c1-3-12(9-25-2)23-8-14(18)21-16(17(23)24)22-5-4-10-6-11(19)7-13(20)15(10)22/h6-8,12H,3-5,9H2,1-2H3/t12-/m1/s1
SMILES: CC[C@H](COC)n1cc(Br)nc(N2CCc3cc(OC)c(F)c(Cl)c32)c1=O
SELFIES: [C][C][C@H1][Branch1][Ring2][C][O][C][N][C][=C][Branch1][C][Br][N][=C][Branch2][Ring1][Branch2][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][#Branch2][Ring1][=N][C][Ring2][Ring1][Ring2][=O]
InChI: InChI=1S/C18H20BrClFN3O3/c1-4-11(9-26-2)24-8-13(19)22-17(18(24)25)23-6-5-10-7-12(27-3)15(21)14(20)16(10)23/h7-8,11H,4-6,9H2,1-3H3/t11-/m1/s1
SMILES: CC[C@@H](COC)n1cc(Cl)nc(N2CCc3cc(OC)cc(Br)c32)c1=O
SELFIES: [C][C][C@@H1][Branch1][Ring2][C][O][C][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Branch1][N][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][C][Br][=C][Ring1][=Branch2][Ring1][N][C][Ring2][Ring1][Ring1][=O]
InChI: InChI=1S/C18H21BrClN3O3/c1-4-12(10-25-2)23-9-15(20)21-17(18(23)24)22-6-5-11-7-13(26-3)8-14(19)16(11)22/h7-9,12H,4-6,10H2,1-3H3/t12-/m0/s1
SMILES: CC[C@@H](COC)n1cc(Cl)nc(N2CCc3cc(Cl)cc(Cl)c32)c1=O
SELFIES: [C][C][C@@H1][Branch1][Ring2][C][O][C][N][C][=C][Branch1][C][Cl][N][=C][Branch2][Ring1][Ring2][N][C][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Ring1][O][C][Ring2][Ring1][C][=O]
InChI: InChI=1S/C17H18Cl3N3O2/c1-3-12(9-25-2)23-8-14(20)21-16(17(23)24)22-5-4-10-6-11(18)7-13(19)15(10)22/h6-8,12H,3-5,9H2,1-2H3/t12-/m0/s1