EdisonScientific/glyph-datasets huggingface dataset:
SMILES: c1ccc2c(c1)C1=N/C2=N\C2=N/C(=N\C3=N/C(=N\C4=N/C(=N\1)c1ccccc14)c1ccccc13)c1ccccc12
SELFIES: [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][/C][Ring1][=Branch1][=N][\C][=N][/C][=Branch2][Ring2][=Branch1][=N][\C][=N][/C][=Branch2][Ring1][Ring2][=N][\C][=N][/C][=Branch1][Ring2][=N][-\Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=C]
InChI: InChI=1S/C32H16N8/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h1-16H/b37-25-,37-27-,38-26-,38-28-,39-29-,39-31-,40-30-,40-32-
SMILES: N#Cc1ccccc1C#N
SELFIES: [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N]
InChI: InChI=1S/C8H4N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H
SMILES: Cc1ccc(S(=O)(=O)Oc2ccc(OS(=O)(=O)c3ccc(C)cc3)c(C#N)c2C#N)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][Ring1][C][#N][=C][Ring2][Ring1][Ring1][C][#N][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C22H16N2O6S2/c1-15-3-7-17(8-4-15)31(25,26)29-21-11-12-22(20(14-24)19(21)13-23)30-32(27,28)18-9-5-16(2)6-10-18/h3-12H,1-2H3
SMILES: Cc1ccc(Sc2ccc(Sc3ccc(C)cc3)c(C#N)c2C#N)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][=C][S][C][=C][C][=C][Branch1][=N][S][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Branch1][Ring1][C][#N][=C][Ring1][S][C][#N][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C22H16N2S2/c1-15-3-7-17(8-4-15)25-21-11-12-22(20(14-24)19(21)13-23)26-18-9-5-16(2)6-10-18/h3-12H,1-2H3
SMILES: CC(C)c1ccc(Sc2ccc(Sc3ccc(C(C)C)cc3)c(C#N)c2C#N)cc1
SELFIES: [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Ring1][S][C][=C][C][=C][Branch1][P][S][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][Branch1][Ring1][C][#N][=C][Ring2][Ring1][C][C][#N][C][=C][Ring2][Ring1][O]
InChI: InChI=1S/C26H24N2S2/c1-17(2)19-5-9-21(10-6-19)29-25-13-14-26(24(16-28)23(25)15-27)30-22-11-7-20(8-12-22)18(3)4/h5-14,17-18H,1-4H3
SMILES: N#Cc1c(Sc2ccc3ccccc3c2)ccc(Sc2ccc3ccccc3c2)c1C#N
SELFIES: [N][#C][C][=C][Branch1][S][S][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][Branch1][S][S][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][Ring1][N][C][#N]
InChI: InChI=1S/C28H16N2S2/c29-17-25-26(18-30)28(32-24-12-10-20-6-2-4-8-22(20)16-24)14-13-27(25)31-23-11-9-19-5-1-3-7-21(19)15-23/h1-16H
SMILES: N#Cc1c(Sc2ccccc2)ccc(Sc2ccccc2)c1C#N
SELFIES: [N][#C][C][=C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2][C][#N]
InChI: InChI=1S/C20H12N2S2/c21-13-17-18(14-22)20(24-16-9-5-2-6-10-16)12-11-19(17)23-15-7-3-1-4-8-15/h1-12H
SMILES: Cc1ccccc1Sc1ccc(Sc2ccccc2C)c(C#N)c1C#N
SELFIES: [C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=C][C][=C][Branch1][O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][Ring1][C][#N][=C][Ring1][S][C][#N]
InChI: InChI=1S/C22H16N2S2/c1-15-7-3-5-9-19(15)25-21-11-12-22(18(14-24)17(21)13-23)26-20-10-6-4-8-16(20)2/h3-12H,1-2H3
SMILES: N#Cc1c(Sc2ccccc2Cl)ccc(Sc2ccccc2Cl)c1C#N
SELFIES: [N][#C][C][=C][Branch1][O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][Branch1][O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][=Branch1][C][#N]
InChI: InChI=1S/C20H10Cl2N2S2/c21-15-5-1-3-7-19(15)25-17-9-10-18(14(12-24)13(17)11-23)26-20-8-4-2-6-16(20)22/h1-10H
SMILES: CC(=O)C=Cc1ccccc1
SELFIES: [C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3
SMILES: CCCCCCCCCC=C1CC(C)OC1=O
SELFIES: [C][C][C][C][C][C][C][C][C][C][=C][C][C][Branch1][C][C][O][C][Ring1][=Branch1][=O]
InChI: InChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-14-12-13(2)17-15(14)16/h11,13H,3-10,12H2,1-2H3
SMILES: CC(CC=C1C[C@@H](C)OC1=O)CC(C)(C)C
SELFIES: [C][C][Branch1][=C][C][C][=C][C][C@@H1][Branch1][C][C][O][C][Ring1][=Branch1][=O][C][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C14H24O2/c1-10(9-14(3,4)5)6-7-12-8-11(2)16-13(12)15/h7,10-11H,6,8-9H2,1-5H3/t10?,11-/m1/s1
SMILES: CC1C/C(=C/C2CCCCC2)C(=O)O1
SELFIES: [C][C][C][/C][=Branch1][#Branch2][=C][/C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][=N]
InChI: InChI=1S/C12H18O2/c1-9-7-11(12(13)14-9)8-10-5-3-2-4-6-10/h8-10H,2-7H2,1H3/b11-8-
SMILES: CCCCC1CCC(=O)O1
SELFIES: [C][C][C][C][C][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1]
InChI: InChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3
SMILES: CCCCCC1CCC(=O)O1
SELFIES: [C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1]
InChI: InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3
SMILES: CCCCCCC1CCC(=O)O1
SELFIES: [C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1]
InChI: InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3
SMILES: CCCCCCCC1CCC(=O)O1
SELFIES: [C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1]
InChI: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3
SMILES: CCCCCCCCC1CCC(=O)O1
SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1]
InChI: InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3
SMILES: CCCCCCCC1CCOC1=O
SELFIES: [C][C][C][C][C][C][C][C][C][C][O][C][Ring1][Branch1][=O]
InChI: InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-13-11(10)12/h10H,2-9H2,1H3
SMILES: CCC[C@@H]1C[C@H](C)OC1=O
SELFIES: [C][C][C][C@@H1][C][C@H1][Branch1][C][C][O][C][Ring1][=Branch1][=O]
InChI: InChI=1S/C8H14O2/c1-3-4-7-5-6(2)10-8(7)9/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
SMILES: CCCC[C@@H]1C[C@H](C)OC1=O
SELFIES: [C][C][C][C][C@@H1][C][C@H1][Branch1][C][C][O][C][Ring1][=Branch1][=O]
InChI: InChI=1S/C9H16O2/c1-3-4-5-8-6-7(2)11-9(8)10/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1
SMILES: CCCCC[C@@H]1C[C@H](C)OC1=O
SELFIES: [C][C][C][C][C][C@@H1][C][C@H1][Branch1][C][C][O][C][Ring1][=Branch1][=O]
InChI: InChI=1S/C10H18O2/c1-3-4-5-6-9-7-8(2)12-10(9)11/h8-9H,3-7H2,1-2H3/t8-,9+/m0/s1
SMILES: CCCCCC[C@@H]1C[C@H](C)OC1=O
SELFIES: [C][C][C][C][C][C][C@@H1][C][C@H1][Branch1][C][C][O][C][Ring1][=Branch1][=O]
InChI: InChI=1S/C11H20O2/c1-3-4-5-6-7-10-8-9(2)13-11(10)12/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1
SMILES: CCCCCCC[C@@H]1C[C@H](C)OC1=O
SELFIES: [C][C][C][C][C][C][C][C@@H1][C][C@H1][Branch1][C][C][O][C][Ring1][=Branch1][=O]
InChI: InChI=1S/C12H22O2/c1-3-4-5-6-7-8-11-9-10(2)14-12(11)13/h10-11H,3-9H2,1-2H3/t10-,11+/m0/s1
SMILES: CCCCCCCC[C@@H]1C[C@H](C)OC1=O
SELFIES: [C][C][C][C][C][C][C][C][C@@H1][C][C@H1][Branch1][C][C][O][C][Ring1][=Branch1][=O]
InChI: InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-12-10-11(2)15-13(12)14/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1
SMILES: CC(CC[C@@H]1C[C@H](C)OC1=O)CC(C)(C)C
SELFIES: [C][C][Branch1][=C][C][C][C@@H1][C][C@H1][Branch1][C][C][O][C][Ring1][=Branch1][=O][C][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C14H26O2/c1-10(9-14(3,4)5)6-7-12-8-11(2)16-13(12)15/h10-12H,6-9H2,1-5H3/t10?,11-,12+/m0/s1
SMILES: C[C@H]1C[C@@H](CC2CCCCC2)C(=O)O1
SELFIES: [C][C@H1][C][C@@H1][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][=N]
InChI: InChI=1S/C12H20O2/c1-9-7-11(12(13)14-9)8-10-5-3-2-4-6-10/h9-11H,2-8H2,1H3/t9-,11-/m0/s1
SMILES: CCCCCC[C@]1(C)CCC(=O)O1
SELFIES: [C][C][C][C][C][C][C@][Branch1][C][C][C][C][C][=Branch1][C][=O][O][Ring1][#Branch1]
InChI: InChI=1S/C11H20O2/c1-3-4-5-6-8-11(2)9-7-10(12)13-11/h3-9H2,1-2H3/t11-/m1/s1
SMILES: CCCCCCCC[C@]1(C)CCC(=O)O1
SELFIES: [C][C][C][C][C][C][C][C][C@][Branch1][C][C][C][C][C][=Branch1][C][=O][O][Ring1][#Branch1]
InChI: InChI=1S/C13H24O2/c1-3-4-5-6-7-8-10-13(2)11-9-12(14)15-13/h3-11H2,1-2H3/t13-/m1/s1
SMILES: O=C1OC[C@H]2CCCC[C@@H]12
SELFIES: [O][=C][O][C][C@H1][C][C][C][C][C@@H1][Ring1][=Branch2][Ring1][=Branch1]
InChI: InChI=1S/C8H12O2/c9-8-7-4-2-1-3-6(7)5-10-8/h6-7H,1-5H2/t6-,7-/m1/s1
SMILES: CCCCCC1CCCC(=O)O1
SELFIES: [C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][Ring1][#Branch1]
InChI: InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3
SMILES: CCCCCCC1CCCC(=O)O1
SELFIES: [C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][Ring1][#Branch1]
InChI: InChI=1S/C11H20O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3
SMILES: CCCCCCCC1CCCC(=O)O1
SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][Ring1][#Branch1]
InChI: InChI=1S/C12H22O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h11H,2-10H2,1H3
SMILES: CCCCCCC1CCOC1=O.CCCCCCC1COC(=O)C1
SELFIES: [C][C][C][C][C][C][C][C][C][O][C][Ring1][Branch1][=O].[C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][Ring1][=Branch1]
InChI: InChI=1S/2C10H18O2/c1-2-3-4-5-6-9-7-10(11)12-8-9;1-2-3-4-5-6-9-7-8-12-10(9)11/h2*9H,2-8H2,1H3
SMILES: CCOC(=O)CC(C(=O)OCC)=C1CC(C)(C)N(O)C(C)(C)C1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][C][C][Branch1][C][C][Branch1][C][C][N][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][O]
InChI: InChI=1S/C17H29NO5/c1-7-22-14(19)9-13(15(20)23-8-2)12-10-16(3,4)18(21)17(5,6)11-12/h21H,7-11H2,1-6H3
SMILES: C=CC1CCC(c2ccc(C#N)cc2)CC1
SELFIES: [C][=C][C][C][C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][C][Ring1][=C]
InChI: InChI=1S/C15H17N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h2,5-6,9-10,12,14H,1,3-4,7-8H2
SMILES: C=CC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1
SELFIES: [C][=C][C][C][C][C][Branch2][Ring1][=Branch2][C][C][C][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring1][=C][C][C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C20H26F2/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-19(21)20(22)13-18/h2,11-17H,1,3-10H2
SMILES: C=CC1CCC(C2CCC(CC)CC2)CC1
SELFIES: [C][=C][C][C][C][C][Branch1][=N][C][C][C][C][Branch1][Ring1][C][C][C][C][Ring1][Branch2][C][C][Ring1][=C]
InChI: InChI=1S/C16H28/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h3,13-16H,1,4-12H2,2H3
SMILES: Cc1cc(O)c(C(C)(C)C)cc1Cc1cc(C(C)(C)C)c(O)cc1C
SELFIES: [C][C][=C][C][Branch1][C][O][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][O][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Ring1][O][C]
InChI: InChI=1S/C23H32O2/c1-14-9-20(24)18(22(3,4)5)12-16(14)11-17-13-19(23(6,7)8)21(25)10-15(17)2/h9-10,12-13,24-25H,11H2,1-8H3
SMILES: Cc1cc(O)c(C(C)(C)C)cc1C(c1cc(C(C)(C)C)c(O)cc1C)C(C)C
SELFIES: [C][C][=C][C][Branch1][C][O][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][O][C][Branch2][Ring1][#Branch1][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][=C][Ring1][O][C][C][Branch1][C][C][C]
InChI: InChI=1S/C26H38O2/c1-15(2)24(18-13-20(25(5,6)7)22(27)11-16(18)3)19-14-21(26(8,9)10)23(28)12-17(19)4/h11-15,24,27-28H,1-10H3
SMILES: CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C]
InChI: InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3
SMILES: CC(C)(C)c1cc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][S][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][=Branch2][O]
InChI: InChI=1S/C28H42O2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16,29-30H,1-12H3
SMILES: CC(C)(C)CC(C)(C)c1ccc(O)c(Cn2nc3ccccc3n2)c1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][O][C][Branch1][#C][C][N][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Ring1][P]
InChI: InChI=1S/C21H27N3O/c1-20(2,3)14-21(4,5)16-10-11-19(25)15(12-16)13-24-22-17-8-6-7-9-18(17)23-24/h6-12,25H,13-14H2,1-5H3
SMILES: Cc1ccc(O)c(-n2nc3ccccc3n2)c1
SELFIES: [C][C][=C][C][=C][Branch1][C][O][C][Branch1][=C][N][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Ring1][S]
InChI: InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3
SMILES: CC(C)(C)c1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][P][N][N][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C20H24ClN3O/c1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-22-15-8-7-13(21)11-16(15)23-24/h7-11,25H,1-6H3
SMILES: CC(C)(C)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=C][N][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C20H25N3O/c1-19(2,3)13-11-14(20(4,5)6)18(24)17(12-13)23-21-15-9-7-8-10-16(15)22-23/h7-12,24H,1-6H3
SMILES: CC(C)(c1ccccc1)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)c2ccccc2)c1
SELFIES: [C][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][=C][N][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=C][Branch1][C][O][C][Branch1][S][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C30H29N3O/c1-29(2,21-13-7-5-8-14-21)23-19-24(30(3,4)22-15-9-6-10-16-22)28(34)27(20-23)33-31-25-17-11-12-18-26(25)32-33/h5-20,34H,1-4H3
SMILES: COC(=O)CCc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1
SELFIES: [C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][P][N][N][=C][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C20H22ClN3O3/c1-20(2,3)14-9-12(5-8-18(25)27-4)10-17(19(14)26)24-22-15-7-6-13(21)11-16(15)23-24/h6-7,9-11,26H,5,8H2,1-4H3
SMILES: CCCCCCCCCCCCOCC(O)COc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1
SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][=Branch1][C][Branch1][C][O][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C40H53N3O4/c1-6-7-8-9-10-11-12-13-14-15-22-46-26-32(44)27-47-33-18-21-36(37(45)25-33)40-42-38(34-19-16-28(2)23-30(34)4)41-39(43-40)35-20-17-29(3)24-31(35)5/h16-21,23-25,32,44-45H,6-15,22,26-27H2,1-5H3
SMILES: CCCC1CCC(C2CCC(c3ccc(CC(C)CC)cc3)CC2)CC1
SELFIES: [C][C][C][C][C][C][C][Branch2][Ring1][=N][C][C][C][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][C][Branch1][C][C][C][C][C][=C][Ring1][O][C][C][Ring1][P][C][C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C26H42/c1-4-6-21-7-11-23(12-8-21)25-15-17-26(18-16-25)24-13-9-22(10-14-24)19-20(3)5-2/h9-10,13-14,20-21,23,25-26H,4-8,11-12,15-19H2,1-3H3
SMILES: CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1
SELFIES: [C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@H1][C][C][C@@][Branch1][C][C][C][=Branch2][Ring2][Branch1][=C][C][C@H1][C@@H1][C][C][C@H1][Branch1][=N][C@H1][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C@@][Ring1][=N][Branch1][C][C][C][C][C@@H1][Ring2][Ring1][C][Ring2][Ring1][#Branch1][C][Ring2][Ring1][O]
InChI: InChI=1S/C36H62O2/c1-7-8-9-10-11-12-16-34(37)38-29-21-23-35(5)28(25-29)17-18-30-32-20-19-31(27(4)15-13-14-26(2)3)36(32,6)24-22-33(30)35/h17,26-27,29-33H,7-16,18-25H2,1-6H3/t27-,29+,30+,31-,32+,33+,35+,36-/m1/s1
SMILES: CCCCCCC(C)Oc1c(F)cc(C2CCC(C3CCC(CCCCC)CC3)CC2)cc1F
SELFIES: [C][C][C][C][C][C][C][Branch1][C][C][O][C][=C][Branch1][C][F][C][=C][Branch2][Ring1][#Branch2][C][C][C][C][Branch1][S][C][C][C][C][Branch1][=Branch1][C][C][C][C][C][C][C][Ring1][O][C][C][Ring1][P][C][=C][Ring2][Ring1][Branch2][F]
InChI: InChI=1S/C31H50F2O/c1-4-6-8-10-11-23(3)34-31-29(32)21-28(22-30(31)33)27-19-17-26(18-20-27)25-15-13-24(14-16-25)12-9-7-5-2/h21-27H,4-20H2,1-3H3
SMILES: CCCCCCC(C)Oc1c(F)cc(-c2ccc(C34CCC(CCCCC)(CC3)CC4)cc2)cc1F
SELFIES: [C][C][C][C][C][C][C][Branch1][C][C][O][C][=C][Branch1][C][F][C][=C][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][C][C][Branch1][=Branch1][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][O][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch2][F]
InChI: InChI=1S/C33H46F2O/c1-4-6-8-9-11-25(3)36-31-29(34)23-27(24-30(31)35)26-12-14-28(15-13-26)33-20-17-32(18-21-33,19-22-33)16-10-7-5-2/h12-15,23-25H,4-11,16-22H2,1-3H3
SMILES: C=CC(=O)OCCOC(=O)C1=CC(OC)=C(OC/C=C/C(=O)OC2=CC3=C(C=C2OC(=O)/C=C/COC2=C(OC)C=C(C(=O)OCCOC(=O)C=C)C=C2)C2=C(C=C(OC(=O)/C=C/COC4=C(OC)C=C(C(=O)OCCOC(=O)C=C)C=C4)C(OC(=O)/C=C/COC4=C(OC)C=C(C(=O)OCCOC(=O)C=C)C=C4)=C2)C2=C3C=C(OC(=O)/C=C/COC3=C(OC)C=C(C(=O)OCCOC(=O)C=C)C=C3)C(OC(=O)/C=C/COC3=C(OC)C=C(C(=O)OCCOC(=O)C=C)C=C3)=C2)C=C1
SMILES: C=CC(=O)OCCCCOc1ccc(C(C)=O)cc1
SELFIES: [C][=C][C][=Branch1][C][=O][O][C][C][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2]
InChI: InChI=1S/C15H18O4/c1-3-15(17)19-11-5-4-10-18-14-8-6-13(7-9-14)12(2)16/h3,6-9H,1,4-5,10-11H2,2H3
SMILES: C.C.C=C(O)C(C)C(C)C(=O)O
SELFIES: [C].[C].[C][=C][Branch1][C][O][C][Branch1][C][C][C][Branch1][C][C][C][=Branch1][C][=O][O]
InChI: InChI=1S/C7H12O3.2CH4/c1-4(6(3)8)5(2)7(9)10;;/h4-5,8H,3H2,1-2H3,(H,9,10);2*1H4
SMILES: CC(C)(C)c1cc(C=O)cc(C(C)(C)C)c1O
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][Ring1][C][=O][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][N][O]
InChI: InChI=1S/C15H22O2/c1-14(2,3)11-7-10(9-16)8-12(13(11)17)15(4,5)6/h7-9,17H,1-6H3
SMILES: NNc1ccc([N+](=O)[O-])cc1
SELFIES: [N][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
InChI: InChI=1S/C6H7N3O2/c7-8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,7H2
SMILES: CC(C)(C)c1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][Ring1][C][=N][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][=Branch1][O]
InChI: InChI=1S/C21H27N3O3/c1-20(2,3)17-11-14(12-18(19(17)25)21(4,5)6)13-22-23-15-7-9-16(10-8-15)24(26)27/h7-13,23,25H,1-6H3
SMILES: CCN(CC)c1ccc(C(C)(C)C)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2]
InChI: InChI=1S/C14H23N/c1-6-15(7-2)13-10-8-12(9-11-13)14(3,4)5/h8-11H,6-7H2,1-5H3
SMILES: CCN(CC)c1cccc(N(CC)CC)c1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][=C][Ring1][O]
InChI: InChI=1S/C14H24N2/c1-5-15(6-2)13-10-9-11-14(12-13)16(7-3)8-4/h9-12H,5-8H2,1-4H3
SMILES: CCN(CC)c1ccccc1N(CC)CC
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring1][C][C][C][C]
InChI: InChI=1S/C14H24N2/c1-5-15(6-2)13-11-9-10-12-14(13)16(7-3)8-4/h9-12H,5-8H2,1-4H3
SMILES: CCN(CC)c1c(C)ccc2ccccc12
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][Branch1][C][C][C][=C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1]
InChI: InChI=1S/C15H19N/c1-4-16(5-2)15-12(3)10-11-13-8-6-7-9-14(13)15/h6-11H,4-5H2,1-3H3
SMILES: CC(C)N(C)c1ccc2ccccc2c1
SELFIES: [C][C][Branch1][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]
InChI: InChI=1S/C14H17N/c1-11(2)15(3)14-9-8-12-6-4-5-7-13(12)10-14/h4-11H,1-3H3
SMILES: CCN(CC)c1cc(N(CC)CC)cc(N(CC)CC)c1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][=C][C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][=C][Ring1][S]
InChI: InChI=1S/C18H33N3/c1-7-19(8-2)16-13-17(20(9-3)10-4)15-18(14-16)21(11-5)12-6/h13-15H,7-12H2,1-6H3
SMILES: CCN(Cc1ccccc1)c1cccc(N(CC)Cc2ccccc2)c1
SELFIES: [C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][#C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S]
InChI: InChI=1S/C24H28N2/c1-3-25(19-21-12-7-5-8-13-21)23-16-11-17-24(18-23)26(4-2)20-22-14-9-6-10-15-22/h5-18H,3-4,19-20H2,1-2H3
SMILES: CCN(Cc1ccc(C)cc1)c1ccc2ccc3cccc4ccc1c2c34
SELFIES: [C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=C][C][Ring1][N][=C][Ring1][#Branch2][Ring1][=Branch1]
InChI: InChI=1S/C26H23N/c1-3-27(17-19-9-7-18(2)8-10-19)24-16-14-22-12-11-20-5-4-6-21-13-15-23(24)26(22)25(20)21/h4-16H,3,17H2,1-2H3
SMILES: CCN(CC)c1cccc(N(c2ccccc2)c2ccccc2)c1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C22H24N2/c1-3-23(4-2)21-16-11-17-22(18-21)24(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-18H,3-4H2,1-2H3
SMILES: CCN(CC)c1cccc(N(c2cccc(N(CC)CC)c2)c2c3ccccc3cc3ccccc23)c1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][C][Branch2][Ring2][#Branch2][N][Branch2][Ring1][C][C][=C][C][=C][C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][=C][Ring1][O][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][=C][Ring2][Ring1][S]
InChI: InChI=1S/C34H37N3/c1-5-35(6-2)28-17-13-19-30(24-28)37(31-20-14-18-29(25-31)36(7-3)8-4)34-32-21-11-9-15-26(32)23-27-16-10-12-22-33(27)34/h9-25H,5-8H2,1-4H3
SMILES: CCN(CC)c1cccc(N(c2ccc(C)cc2)c2ccc(C)cc2)c1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C24H28N2/c1-5-25(6-2)23-8-7-9-24(18-23)26(21-14-10-19(3)11-15-21)22-16-12-20(4)13-17-22/h7-18H,5-6H2,1-4H3
SMILES: Cc1ccc(N(c2ccc(C)cc2)c2cccc(N(Cc3ccccc3)Cc3ccccc3)c2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring2][S][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][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][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring2][Ring1]
InChI: InChI=1S/C34H32N2/c1-27-16-20-31(21-17-27)36(32-22-18-28(2)19-23-32)34-15-9-14-33(24-34)35(25-29-10-5-3-6-11-29)26-30-12-7-4-8-13-30/h3-24H,25-26H2,1-2H3
SMILES: CCN(Cc1cccc2ccccc12)c1cccc(N(c2ccc(C)cc2)c2ccc3ccccc3c2)c1
SELFIES: [C][C][N][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][=C][C][Branch2][Ring1][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C36H32N2/c1-3-37(26-31-14-8-13-29-11-6-7-17-36(29)31)33-15-9-16-34(25-33)38(32-21-18-27(2)19-22-32)35-23-20-28-10-4-5-12-30(28)24-35/h4-25H,3,26H2,1-2H3
SMILES: CCN(CC)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C28H28N2/c1-3-29(4-2)25-19-15-23(16-20-25)24-17-21-28(22-18-24)30(26-11-7-5-8-12-26)27-13-9-6-10-14-27/h5-22H,3-4H2,1-2H3
SMILES: CCN(CC)c1cccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(C)cc3)cc2)c1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][C][Branch2][Ring2][Ring2][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][=C][Ring2][Ring1][O]
InChI: InChI=1S/C30H32N2/c1-5-31(6-2)29-8-7-9-30(22-29)32(27-18-12-24(4)13-19-27)28-20-16-26(17-21-28)25-14-10-23(3)11-15-25/h7-22H,5-6H2,1-4H3