EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC(=O)c1cc(C(F)(F)F)cc2c1OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)O2
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][O][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][Ring2][Ring1][Branch1]
InChI: InChI=1S/C24H19F3O6/c1-29-17-8-4-14(5-9-17)23(15-6-10-18(30-2)11-7-15)32-20-13-16(24(25,26)27)12-19(21(20)33-23)22(28)31-3/h4-13H,1-3H3
SMILES: COc1ccc(C2(c3ccc(OC)cc3)Oc3cc(C(F)(F)F)cc(C(=O)O)c3O2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][=C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=N][O][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C23H17F3O6/c1-29-16-7-3-13(4-8-16)22(14-5-9-17(30-2)10-6-14)31-19-12-15(23(24,25)26)11-18(21(27)28)20(19)32-22/h3-12H,1-2H3,(H,27,28)
SMILES: COc1ccc(C2(c3ccc(OC)cc3)Oc3cc(C(F)(F)F)cc(C(=O)NC/C=C/[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@H]5OC(C)(C)OC45)c3O2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][#Branch1][Branch2][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][/C][=C][/C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring2][Ring1][Ring2][Ring1][#Branch1][=C][Ring2][Ring2][Ring2][O][Ring2][Ring2][#C][C][=C][Ring2][Branch1][Branch1]
InChI: InChI=1S/C38H35F3N6O8/c1-36(2)53-30-26(51-35(31(30)54-36)47-19-46-28-32(42)44-18-45-33(28)47)6-5-15-43-34(48)25-16-22(38(39,40)41)17-27-29(25)55-37(52-27,20-7-11-23(49-3)12-8-20)21-9-13-24(50-4)14-10-21/h5-14,16-19,26,30-31,35H,15H2,1-4H3,(H,43,48)(H2,42,44,45)/b6-5+/t26-,30?,31+,35-/m1/s1
SMILES: Nc1ncnc2c1ncn2[C@@H]1O[C@H](/C=C/CNC(=O)c2cc(C(F)(F)F)cc(O)c2O)[C@H](O)C1O
SELFIES: [N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C@@H1][O][C@H1][Branch2][Ring1][#C][/C][=C][/C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][C][O][=C][Ring1][O][O][C@H1][Branch1][C][O][C][Ring2][Ring1][Branch2][O]
InChI: InChI=1S/C20H19F3N6O6/c21-20(22,23)8-4-9(13(31)10(30)5-8)18(34)25-3-1-2-11-14(32)15(33)19(35-11)29-7-28-12-16(24)26-6-27-17(12)29/h1-2,4-7,11,14-15,19,30-33H,3H2,(H,25,34)(H2,24,26,27)/b2-1+/t11-,14+,15?,19-/m1/s1
SMILES: C=C(C)c1ccc(OCOC)c(OC)c1
SELFIES: [C][=C][Branch1][C][C][C][=C][C][=C][Branch1][Branch1][O][C][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N]
InChI: InChI=1S/C12H16O3/c1-9(2)10-5-6-11(15-8-13-3)12(7-10)14-4/h5-7H,1,8H2,2-4H3
SMILES: COCOc1ccc(C(C)C)cc1OC
SELFIES: [C][O][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][O][C]
InChI: InChI=1S/C12H18O3/c1-9(2)10-5-6-11(15-8-13-3)12(7-10)14-4/h5-7,9H,8H2,1-4H3
SMILES: COCOc1c(OC)cc(C(C)C)cc1C(=O)OC
SELFIES: [C][O][C][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][O][C][=Branch1][C][=O][O][C]
InChI: InChI=1S/C14H20O5/c1-9(2)10-6-11(14(15)18-5)13(19-8-16-3)12(7-10)17-4/h6-7,9H,8H2,1-5H3
SMILES: CC(C)c1cc(O)c(O)c(C(=O)O)c1
SELFIES: [C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][O]
InChI: InChI=1S/C10H12O4/c1-5(2)6-3-7(10(13)14)9(12)8(11)4-6/h3-5,11-12H,1-2H3,(H,13,14)
SMILES: COC(=O)c1cc(C(C)C)cc(O)c1O
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch2][O]
InChI: InChI=1S/C11H14O4/c1-6(2)7-4-8(11(14)15-3)10(13)9(12)5-7/h4-6,12-13H,1-3H3
SMILES: COC(=O)c1cc(C(C)C)cc2c1OC(c1ccccc1)(c1ccccc1)O2
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][=C][Ring1][=Branch2][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][P]
InChI: InChI=1S/C24H22O4/c1-16(2)17-14-20(23(25)26-3)22-21(15-17)27-24(28-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16H,1-3H3
SMILES: CC(C)c1cc2c(c(C(=O)O)c1)OC(c1ccccc1)(c1ccccc1)O2
SELFIES: [C][C][Branch1][C][C][C][=C][C][=C][Branch1][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C23H20O4/c1-15(2)16-13-19(22(24)25)21-20(14-16)26-23(27-21,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15H,1-2H3,(H,24,25)
SMILES: CC(C)c1cc2c(c(C(=O)NC/C=C/[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H]4OC(C)(C)OC34)c1)OC(c1ccccc1)(c1ccccc1)O2
SELFIES: [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][=Branch1][C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][/C][=C][/C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring2][Ring1][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][S][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring2][=N]
InChI: InChI=1S/C38H38N6O6/c1-22(2)23-18-26(30-28(19-23)47-38(50-30,24-12-7-5-8-13-24)25-14-9-6-10-15-25)35(45)40-17-11-16-27-31-32(49-37(3,4)48-31)36(46-27)44-21-43-29-33(39)41-20-42-34(29)44/h5-16,18-22,27,31-32,36H,17H2,1-4H3,(H,40,45)(H2,39,41,42)/b16-11+/t27-,31?,32+,36-/m1/s1
SMILES: CC(C)c1cc(O)c(O)c(C(=O)NC/C=C/[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C(O)[C@H]2O)c1
SELFIES: [C][C][Branch1][C][C][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][/C][=C][/C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][Branch1][C][O][C@H1][Ring1][S][O][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C22H26N6O6/c1-10(2)11-6-12(16(30)13(29)7-11)21(33)24-5-3-4-14-17(31)18(32)22(34-14)28-9-27-15-19(23)25-8-26-20(15)28/h3-4,6-10,14,17-18,22,29-32H,5H2,1-2H3,(H,24,33)(H2,23,25,26)/b4-3+/t14-,17+,18?,22-/m1/s1
SMILES: COC(=O)c1cc(S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C][O][C]
InChI: InChI=1S/C17H18O6S/c1-11-5-7-12(8-6-11)24(19,20)13-9-14(17(18)23-4)16(22-3)15(10-13)21-2/h5-10H,1-4H3
SMILES: Cc1ccc(S(=O)(=O)c2cc(O)c(O)c(C(=O)O)c2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C14H12O6S/c1-8-2-4-9(5-3-8)21(19,20)10-6-11(14(17)18)13(16)12(15)7-10/h2-7,15-16H,1H3,(H,17,18)
SMILES: COC(=O)c1cc(S(=O)(=O)c2ccc(C)cc2)cc(O)c1O
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][Branch1][C][O][=C][Ring1][P][O]
InChI: InChI=1S/C15H14O6S/c1-9-3-5-10(6-4-9)22(19,20)11-7-12(15(18)21-2)14(17)13(16)8-11/h3-8,16-17H,1-2H3
SMILES: COC(=O)c1cc(S(=O)(=O)c2ccc(C)cc2)cc2c1OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)O2
SELFIES: [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][S][O][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][Ring2][Ring1][Branch1]
InChI: InChI=1S/C30H26O8S/c1-19-5-15-24(16-6-19)39(32,33)25-17-26(29(31)36-4)28-27(18-25)37-30(38-28,20-7-11-22(34-2)12-8-20)21-9-13-23(35-3)14-10-21/h5-18H,1-4H3
SMILES: COc1ccc(C2(c3ccc(OC)cc3)Oc3cc(S(=O)(=O)c4ccc(C)cc4)cc(C(=O)O)c3O2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch1][#Branch2][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Ring1][O][Ring2][Ring1][=C][C][=C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C29H24O8S/c1-18-4-14-23(15-5-18)38(32,33)24-16-25(28(30)31)27-26(17-24)36-29(37-27,19-6-10-21(34-2)11-7-19)20-8-12-22(35-3)13-9-20/h4-17H,1-3H3,(H,30,31)
SMILES: COc1ccc(C2(c3ccc(OC)cc3)Oc3cc(S(=O)(=O)c4ccc(C)cc4)cc(C(=O)NC/C=C/[C@H]4O[C@@H](n5cnc6c(N)ncnc65)[C@H]5OC(C)(C)OC45)c3O2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Branch2][Ring1][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][/C][=C][/C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C@H1][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring2][Ring1][Ring2][Ring1][#Branch1][=C][Ring2][Ring2][#Branch2][O][Ring2][Branch1][Branch1][C][=C][Ring2][Branch1][O]
InChI: InChI=1S/C44H42N6O10S/c1-25-8-18-30(19-9-25)61(52,53)31-21-32(36-34(22-31)57-44(60-36,26-10-14-28(54-4)15-11-26)27-12-16-29(55-5)17-13-27)41(51)46-20-6-7-33-37-38(59-43(2,3)58-37)42(56-33)50-24-49-35-39(45)47-23-48-40(35)50/h6-19,21-24,33,37-38,42H,20H2,1-5H3,(H,46,51)(H2,45,47,48)/b7-6+/t33-,37?,38+,42-/m1/s1
SMILES: Cc1ccc(S(=O)(=O)c2cc(O)c(O)c(C(=O)NC/C=C/[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C(O)[C@H]3O)c2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][/C][=C][/C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][Branch1][C][O][C@H1][Ring1][S][O][=C][Ring2][Ring1][#C][C][=C][Ring2][Ring2][Branch2]
InChI: InChI=1S/C26H26N6O8S/c1-13-4-6-14(7-5-13)41(38,39)15-9-16(20(34)17(33)10-15)25(37)28-8-2-3-18-21(35)22(36)26(40-18)32-12-31-19-23(27)29-11-30-24(19)32/h2-7,9-12,18,21-22,26,33-36H,8H2,1H3,(H,28,37)(H2,27,29,30)/b3-2+/t18-,21+,22?,26-/m1/s1
SMILES: COc1cc(C(O)c2ccc(C)cc2)cc(C2OCCCO2)c1OC
SELFIES: [C][O][C][=C][C][Branch1][S][C][Branch1][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][Branch1][=Branch2][C][O][C][C][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][O][C]
InChI: InChI=1S/C20H24O5/c1-13-5-7-14(8-6-13)18(21)15-11-16(20-24-9-4-10-25-20)19(23-3)17(12-15)22-2/h5-8,11-12,18,20-21H,4,9-10H2,1-3H3
SMILES: COc1cc(C(=O)c2ccc(C)cc2)cc(C(=O)O)c1OC
SELFIES: [C][O][C][=C][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][C][O][C]
InChI: InChI=1S/C17H16O5/c1-10-4-6-11(7-5-10)15(18)12-8-13(17(19)20)16(22-3)14(9-12)21-2/h4-9H,1-3H3,(H,19,20)
SMILES: Cc1ccc(C(=O)c2cc(O)c(O)c(C(=O)O)c2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][O][C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C15H12O5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3,(H,19,20)
SMILES: Cc1ccc(C(=O)c2cc(O)c(O)c(C(=O)ON3C(=O)CCC3=O)c2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch1][P][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C19H15NO7/c1-10-2-4-11(5-3-10)17(24)12-8-13(18(25)14(21)9-12)19(26)27-20-15(22)6-7-16(20)23/h2-5,8-9,21,25H,6-7H2,1H3
SMILES: Cc1ccc(C(=O)c2cc(O)c(O)c(C(=O)NC/C=C/[C@H]3O[C@@H](n4cnc5c(N)ncnc54)C(O)[C@H]3O)c2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch1][C][O][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][/C][=C][/C@H1][O][C@@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][Branch1][C][O][C@H1][Ring1][S][O][=C][Ring2][Ring1][#C][C][=C][Ring2][Ring2][#Branch1]
InChI: InChI=1S/C27H26N6O7/c1-13-4-6-14(7-5-13)20(35)15-9-16(21(36)17(34)10-15)26(39)29-8-2-3-18-22(37)23(38)27(40-18)33-12-32-19-24(28)30-11-31-25(19)33/h2-7,9-12,18,22-23,27,34,36-38H,8H2,1H3,(H,29,39)(H2,28,30,31)/b3-2+/t18-,22+,23?,27-/m1/s1
SMILES: O=C(c1ccc(F)cc1)c1cc2cnc(NC3CCOCC3)nc2n1-c1c(F)cccc1F
SELFIES: [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][N][=C][Branch1][#Branch2][N][C][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][=N][N][Ring1][S][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]
InChI: InChI=1S/C24H19F3N4O2/c25-16-6-4-14(5-7-16)22(32)20-12-15-13-28-24(29-17-8-10-33-11-9-17)30-23(15)31(20)21-18(26)2-1-3-19(21)27/h1-7,12-13,17H,8-11H2,(H,28,29,30)
SMILES: C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(-c2c3c(nc4ccnn24)CCCCC3)cc1
SELFIES: [C][C@@H1][C][C][C@@H1][Branch1][C][C][N][Ring1][=Branch1][C][C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=Branch1][O][=N][C][=C][C][=N][N][Ring1][=Branch2][Ring1][Branch1][C][C][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C26H34N4O/c1-19-9-10-20(2)29(19)17-6-18-31-22-13-11-21(12-14-22)26-23-7-4-3-5-8-24(23)28-25-15-16-27-30(25)26/h11-16,19-20H,3-10,17-18H2,1-2H3/t19-,20-/m1/s1
SMILES: c1ccc2c(-c3ccc(OCCCN4CCCC4)cc3)c3c(nc2c1)CCCCC3
SELFIES: [C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][O][C][C][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][#C][=C][C][=Branch1][#Branch2][=N][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2][C][C][C][C][C][Ring1][#Branch2]
InChI: InChI=1S/C27H32N2O/c1-2-9-23-25(11-3-1)28-26-12-5-4-10-24(26)27(23)21-13-15-22(16-14-21)30-20-8-19-29-17-6-7-18-29/h4-5,10,12-16H,1-3,6-9,11,17-20H2
SMILES: CC(C)(C)OC(=O)C(C)(C)Oc1cccc(CCN)c1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][Ring2][C][C][N][=C][Ring1][=Branch2]
InChI: InChI=1S/C16H25NO3/c1-15(2,3)20-14(18)16(4,5)19-13-8-6-7-12(11-13)9-10-17/h6-8,11H,9-10,17H2,1-5H3
SMILES: CC(C)(C)OC(=O)C(C)(C)Oc1ccc(CCN)cc1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][Ring2][C][C][N][C][=C][Ring1][=Branch2]
InChI: InChI=1S/C16H25NO3/c1-15(2,3)20-14(18)16(4,5)19-13-8-6-12(7-9-13)10-11-17/h6-9H,10-11,17H2,1-5H3
SMILES: CC(C)(C)OC(=O)C(C)(C)Oc1cccc(CCCN)c1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch1][Branch1][C][C][C][N][=C][Ring1][#Branch2]
InChI: InChI=1S/C17H27NO3/c1-16(2,3)21-15(19)17(4,5)20-14-10-6-8-13(12-14)9-7-11-18/h6,8,10,12H,7,9,11,18H2,1-5H3
SMILES: CC(C)(C)OC(=O)C(C)(C)Oc1ccc(CCCN)cc1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][Branch1][C][C][C][N][C][=C][Ring1][#Branch2]
InChI: InChI=1S/C17H27NO3/c1-16(2,3)21-15(19)17(4,5)20-14-10-8-13(9-11-14)7-6-12-18/h8-11H,6-7,12,18H2,1-5H3
SMILES: CC(C)c1nc(-c2ccc(C=O)cc2)no1
SELFIES: [C][C][Branch1][C][C][C][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2][=N][O][Ring1][=N]
InChI: InChI=1S/C12H12N2O2/c1-8(2)12-13-11(14-16-12)10-5-3-9(7-15)4-6-10/h3-8H,1-2H3
SMILES: O=Cc1ccc(-c2noc(C3CC3)n2)cc1
SELFIES: [O][=C][C][=C][C][=C][Branch1][#C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=C][Ring1][=C]
InChI: InChI=1S/C12H10N2O2/c15-7-8-1-3-9(4-2-8)11-13-12(16-14-11)10-5-6-10/h1-4,7,10H,5-6H2
SMILES: CC(C)(C)OC(=O)C(C)(C)Oc1cccc(CCCNCc2ccc(-c3noc(C4CC4)n3)cc2)c1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring1][=C][C][C][C][N][C][C][=C][C][=C][Branch1][#C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=C][Ring1][=C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C29H37N3O4/c1-28(2,3)35-27(33)29(4,5)34-24-10-6-8-20(18-24)9-7-17-30-19-21-11-13-22(14-12-21)25-31-26(36-32-25)23-15-16-23/h6,8,10-14,18,23,30H,7,9,15-17,19H2,1-5H3
SMILES: CC(C)(C)OC(=O)C(C)(C)Oc1ccc(CCNCc2ccc(-c3noc(C4CC4)n3)cc2)cc1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][=N][C][C][N][C][C][=C][C][=C][Branch1][#C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=C][Ring1][=C][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C28H35N3O4/c1-27(2,3)34-26(32)28(4,5)33-23-14-8-19(9-15-23)16-17-29-18-20-6-10-21(11-7-20)24-30-25(35-31-24)22-12-13-22/h6-11,14-15,22,29H,12-13,16-18H2,1-5H3
SMILES: CCOC(=O)C(C)(C)Oc1ccc(CCNCc2ccc(-c3noc(C4CC4)n3)cc2)cc1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][=N][C][C][N][C][C][=C][C][=C][Branch1][#C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=C][Ring1][=C][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C26H31N3O4/c1-4-31-25(30)26(2,3)32-22-13-7-18(8-14-22)15-16-27-17-19-5-9-20(10-6-19)23-28-24(33-29-23)21-11-12-21/h5-10,13-14,21,27H,4,11-12,15-17H2,1-3H3
SMILES: COC(=O)C(C)(C)Oc1ccc(CCNCc2ccc(-c3noc(C(C)C)n3)cc2)cc1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][=N][C][C][N][C][C][=C][C][=C][Branch1][#C][C][=N][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2][C][=C][Ring1][=C][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C25H31N3O4/c1-17(2)23-27-22(28-32-23)20-10-6-19(7-11-20)16-26-15-14-18-8-12-21(13-9-18)31-25(3,4)24(29)30-5/h6-13,17,26H,14-16H2,1-5H3
SMILES: CC(C)(C)OC(=O)C(C)(C)Oc1cccc(CCCNCc2ccc(C(F)(F)F)cc2)c1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][C][C][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C25H32F3NO3/c1-23(2,3)32-22(30)24(4,5)31-21-10-6-8-18(16-21)9-7-15-29-17-19-11-13-20(14-12-19)25(26,27)28/h6,8,10-14,16,29H,7,9,15,17H2,1-5H3
SMILES: CC(C)(C)OC(=O)C(C)(C)Oc1ccc(CCNCc2ccc(C(F)(F)F)cc2)cc1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C24H30F3NO3/c1-22(2,3)31-21(29)23(4,5)30-20-12-8-17(9-13-20)14-15-28-16-18-6-10-19(11-7-18)24(25,26)27/h6-13,28H,14-16H2,1-5H3
SMILES: Oc1ccc(CCNCc2ccc(C(F)(F)F)cc2)cc1
SELFIES: [O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C16H16F3NO/c17-16(18,19)14-5-1-13(2-6-14)11-20-10-9-12-3-7-15(21)8-4-12/h1-8,20-21H,9-11H2
SMILES: CCOC(=O)C(C)(C)Oc1ccc(CCNCc2ccc(C(F)(F)F)cc2)cc1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C22H26F3NO3/c1-4-28-20(27)21(2,3)29-19-11-7-16(8-12-19)13-14-26-15-17-5-9-18(10-6-17)22(23,24)25/h5-12,26H,4,13-15H2,1-3H3
SMILES: COC(=O)C(C)(C)Oc1ccc(CCNCc2ccc(C(F)(F)F)cc2C(F)(F)F)cc1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][#C][C][C][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C22H23F6NO3/c1-20(2,19(30)31-3)32-17-8-4-14(5-9-17)10-11-29-13-15-6-7-16(21(23,24)25)12-18(15)22(26,27)28/h4-9,12,29H,10-11,13H2,1-3H3
SMILES: COC(=O)C(C)(C)Oc1ccc(CCNCc2ccc(C(F)(F)F)cc2)cc1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C21H24F3NO3/c1-20(2,19(26)27-3)28-18-10-6-15(7-11-18)12-13-25-14-16-4-8-17(9-5-16)21(22,23)24/h4-11,25H,12-14H2,1-3H3
SMILES: CC(C)(C)OC(=O)C(C)(C)Oc1cccc(CCCNCc2ccc(C(F)(F)F)cc2C(F)(F)F)c1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring1][S][C][C][C][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C26H31F6NO3/c1-23(2,3)36-22(34)24(4,5)35-20-10-6-8-17(14-20)9-7-13-33-16-18-11-12-19(25(27,28)29)15-21(18)26(30,31)32/h6,8,10-12,14-15,33H,7,9,13,16H2,1-5H3
SMILES: CCOC(=O)C(C)(C)Oc1ccc(CCNCc2ccc(OC(F)(F)F)cc2)cc1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][N][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C22H26F3NO4/c1-4-28-20(27)21(2,3)29-18-9-5-16(6-10-18)13-14-26-15-17-7-11-19(12-8-17)30-22(23,24)25/h5-12,26H,4,13-15H2,1-3H3
SMILES: CCOC(=O)C(C)(C)Oc1ccc(CCNCc2cccnc2)cc1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=N][C][C][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C20H26N2O3/c1-4-24-19(23)20(2,3)25-18-9-7-16(8-10-18)11-13-22-15-17-6-5-12-21-14-17/h5-10,12,14,22H,4,11,13,15H2,1-3H3
SMILES: CCOC(=O)C(C)(C)Oc1ccc(CCNCc2ccncc2)cc1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][=N][C][C][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C20H26N2O3/c1-4-24-19(23)20(2,3)25-18-7-5-16(6-8-18)9-14-22-15-17-10-12-21-13-11-17/h5-8,10-13,22H,4,9,14-15H2,1-3H3
SMILES: CCOC(=O)C(C)(C)Oc1ccc(CCNCc2ccc(C(F)(F)F)cc2)cc1OC
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][O][C]
InChI: InChI=1S/C23H28F3NO4/c1-5-30-21(28)22(2,3)31-19-11-8-16(14-20(19)29-4)12-13-27-15-17-6-9-18(10-7-17)23(24,25)26/h6-11,14,27H,5,12-13,15H2,1-4H3
SMILES: CCOC(=O)C(C)(C)Oc1ccc(CCNCc2ccc(C(F)(F)F)cc2)cc1Br
SELFIES: [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][Br]
InChI: InChI=1S/C22H25BrF3NO3/c1-4-29-20(28)21(2,3)30-19-10-7-15(13-18(19)23)11-12-27-14-16-5-8-17(9-6-16)22(24,25)26/h5-10,13,27H,4,11-12,14H2,1-3H3
SMILES: CCc1cnc(N(CCc2ccc(OC(C)(C)C(=O)O)cc2)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)nc1
SELFIES: [C][C][C][=C][N][=C][Branch2][Branch1][=Branch2][N][Branch2][Ring1][#Branch2][C][C][C][=C][C][=C][Branch1][=C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][=N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C27H27F6N3O3/c1-4-17-14-34-24(35-15-17)36(12-11-18-5-9-21(10-6-18)39-25(2,3)23(37)38)16-19-7-8-20(26(28,29)30)13-22(19)27(31,32)33/h5-10,13-15H,4,11-12,16H2,1-3H3,(H,37,38)