EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCCn1c(=O)[nH]c(N)c(N=O)c1=O
SELFIES: [C][C][C][C][N][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=C][Branch1][Ring1][N][=O][C][Ring1][#Branch2][=O]
InChI: InChI=1S/C8H12N4O3/c1-2-3-4-12-7(13)5(11-15)6(9)10-8(12)14/h2-4,9H2,1H3,(H,10,14)
SMILES: CCCCn1c(=O)[nH]c(N)c(N)c1=O
SELFIES: [C][C][C][C][N][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=C][Branch1][C][N][C][Ring1][=Branch2][=O]
InChI: InChI=1S/C8H14N4O2/c1-2-3-4-12-7(13)5(9)6(10)11-8(12)14/h2-4,9-10H2,1H3,(H,11,14)
SMILES: CCCCn1c(=O)[nH]c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c2c1=O
SELFIES: [C][C][C][C][N][C][=Branch1][C][=O][NH1][C][N][=C][Branch2][Ring1][Ring1][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][NH1][C][=Ring1][P][C][Ring2][Ring1][=Branch1][=O]
InChI: InChI=1S/C19H20N6O2/c1-2-3-9-25-18(26)15-17(23-19(25)27)22-16(21-15)14-10-20-24(12-14)11-13-7-5-4-6-8-13/h4-8,10,12H,2-3,9,11H2,1H3,(H,21,22)(H,23,27)
SMILES: Nc1cc(=O)[nH]c(=O)n1Cc1ccccc1
SELFIES: [N][C][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C11H11N3O2/c12-9-6-10(15)13-11(16)14(9)7-8-4-2-1-3-5-8/h1-6H,7,12H2,(H,13,15,16)
SMILES: Nc1c(N=O)c(=O)[nH]c(=O)n1Cc1ccccc1
SELFIES: [N][C][=C][Branch1][Ring1][N][=O][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C11H10N4O3/c12-9-8(14-18)10(16)13-11(17)15(9)6-7-4-2-1-3-5-7/h1-5H,6,12H2,(H,13,16,17)
SMILES: Nc1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
SELFIES: [N][C][=C][Branch1][C][N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][NH1][C][Ring1][#C][=O]
InChI: InChI=1S/C11H12N4O2/c12-8-9(13)15(11(17)14-10(8)16)6-7-4-2-1-3-5-7/h1-5H,6,12-13H2,(H,14,16,17)
SMILES: O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(-c3cnn(Cc4ccccc4)c3)[nH]c12
SELFIES: [O][=C][NH1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][Branch2][Ring1][Ring1][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][NH1][C][Ring2][Ring1][=N][=Ring1][P]
InChI: InChI=1S/C22H18N6O2/c29-21-18-20(28(22(30)26-21)13-16-9-5-2-6-10-16)25-19(24-18)17-11-23-27(14-17)12-15-7-3-1-4-8-15/h1-11,14H,12-13H2,(H,24,25)(H,26,29,30)
SMILES: CCCCn1c(=O)cc(/N=C/N(C)C)n(C)c1=O
SELFIES: [C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][Branch2][/N][=C][/N][Branch1][C][C][C][N][Branch1][C][C][C][Ring1][=N][=O]
InChI: InChI=1S/C12H20N4O2/c1-5-6-7-16-11(17)8-10(13-9-14(2)3)15(4)12(16)18/h8-9H,5-7H2,1-4H3/b13-9+
SMILES: CCCCn1c(=O)cc(N)n(C)c1=O
SELFIES: [C][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][Branch1][C][C][C][Ring1][=Branch2][=O]
InChI: InChI=1S/C9H15N3O2/c1-3-4-5-12-8(13)6-7(10)11(2)9(12)14/h6H,3-5,10H2,1-2H3
SMILES: CCCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(C)c1=O
SELFIES: [C][C][C][C][N][C][=Branch1][C][=O][C][NH1][C][Branch2][Ring1][=Branch1][C][C][=N][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Ring1][=N][=N][C][=Ring2][Ring1][C][N][Branch1][C][C][C][Ring2][Ring1][Branch2][=O]
InChI: InChI=1S/C20H21FN6O2/c1-3-4-8-27-19(28)16-18(25(2)20(27)29)24-17(23-16)14-10-22-26(12-14)11-13-6-5-7-15(21)9-13/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,23,24)
SMILES: CC(C)n1c(=O)n(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3CC(O)CN2CCN(S(C)(=O)=O)CC2)c2ccccc21
SELFIES: [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring2][N][C][=Branch1][C][=O][N][C@H1][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][Branch1][C][O][C][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][Ring1]
InChI: InChI=1S/C26H40N6O5S/c1-18(2)31-23-6-4-5-7-24(23)32(26(31)35)25(34)27-19-14-20-8-9-21(15-19)30(20)17-22(33)16-28-10-12-29(13-11-28)38(3,36)37/h4-7,18-22,33H,8-17H2,1-3H3,(H,27,34)/t19-,20+,21-,22?
SMILES: CC(C)n1c(=O)n(C(=O)NC2CC3CCC(C2)N3CC(O)CN2CCN(S(C)(=O)=O)CC2)c2ccccc21
SELFIES: [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring2][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][Branch1][C][O][C][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][Ring1]
InChI: InChI=1S/C26H40N6O5S/c1-18(2)31-23-6-4-5-7-24(23)32(26(31)35)25(34)27-19-14-20-8-9-21(15-19)30(20)17-22(33)16-28-10-12-29(13-11-28)38(3,36)37/h4-7,18-22,33H,8-17H2,1-3H3,(H,27,34)
SMILES: CC(C)n1c(=O)n(C(=O)NC2CC3CCC(C2)N3CC(O)CN2CCN(C(=O)C3CCCO3)CC2)c2ccccc21
SELFIES: [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][Branch1][C][O][C][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C30H44N6O5/c1-20(2)35-25-6-3-4-7-26(25)36(30(35)40)29(39)31-21-16-22-9-10-23(17-21)34(22)19-24(37)18-32-11-13-33(14-12-32)28(38)27-8-5-15-41-27/h3-4,6-7,20-24,27,37H,5,8-19H2,1-2H3,(H,31,39)
SMILES: CC(=O)N1CCN(CC(O)CN2C3CCC2CC(NC(=O)n2c(=O)n(C(C)C)c4ccccc42)C3)CC1
SELFIES: [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][Ring1][C][C][Branch1][C][O][C][N][C][C][C][C][Ring1][Branch1][C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][Ring2][Ring1][#Branch1][C][C][Ring2][Ring2][C]
InChI: InChI=1S/C27H40N6O4/c1-18(2)32-24-6-4-5-7-25(24)33(27(32)37)26(36)28-20-14-21-8-9-22(15-20)31(21)17-23(35)16-29-10-12-30(13-11-29)19(3)34/h4-7,18,20-23,35H,8-17H2,1-3H3,(H,28,36)
SMILES: CC(C)n1c(=O)n(C(=O)NC2CC3CCC(C2)N3CC(O)CN(C)C2CCS(=O)(=O)C2)c2ccccc21
SELFIES: [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][Branch1][C][O][C][N][Branch1][C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][C]
InChI: InChI=1S/C26H39N5O5S/c1-17(2)30-23-6-4-5-7-24(23)31(26(30)34)25(33)27-18-12-19-8-9-20(13-18)29(19)15-22(32)14-28(3)21-10-11-37(35,36)16-21/h4-7,17-22,32H,8-16H2,1-3H3,(H,27,33)
SMILES: CC(C)n1c(=O)n(C(=O)NC2CC3CCC(C2)N3C[C@@H](O)CN2CCN(S(C)(=O)=O)CC2)c2ccccc21
SELFIES: [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring2][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C@@H1][Branch1][C][O][C][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][Ring1]
InChI: InChI=1S/C26H40N6O5S/c1-18(2)31-23-6-4-5-7-24(23)32(26(31)35)25(34)27-19-14-20-8-9-21(15-19)30(20)17-22(33)16-28-10-12-29(13-11-28)38(3,36)37/h4-7,18-22,33H,8-17H2,1-3H3,(H,27,34)/t19?,20?,21?,22-/m0/s1
SMILES: CC(C)n1c(=O)n(C(=O)NC2CC3CCC(C2)N3C[C@H](O)CN2CCN(S(C)(=O)=O)CC2)c2ccccc21
SELFIES: [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring2][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C@H1][Branch1][C][O][C][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][Ring1]
InChI: InChI=1S/C26H40N6O5S/c1-18(2)31-23-6-4-5-7-24(23)32(26(31)35)25(34)27-19-14-20-8-9-21(15-19)30(20)17-22(33)16-28-10-12-29(13-11-28)38(3,36)37/h4-7,18-22,33H,8-17H2,1-3H3,(H,27,34)/t19?,20?,21?,22-/m1/s1
SMILES: CC(=O)N1CCN(C[C@H](O)CN2C3CCC2CC(NC(=O)n2c(=O)n(C(C)C)c4ccccc42)C3)CC1
SELFIES: [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][Ring1][C][C@H1][Branch1][C][O][C][N][C][C][C][C][Ring1][Branch1][C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][Ring2][Ring1][#Branch1][C][C][Ring2][Ring2][C]
InChI: InChI=1S/C27H40N6O4/c1-18(2)32-24-6-4-5-7-25(24)33(27(32)37)26(36)28-20-14-21-8-9-22(15-20)31(21)17-23(35)16-29-10-12-30(13-11-29)19(3)34/h4-7,18,20-23,35H,8-17H2,1-3H3,(H,28,36)/t20?,21?,22?,23-/m0/s1
SMILES: CC(=O)N1CCN(C[C@@H](O)CN2C3CCC2CC(NC(=O)n2c(=O)n(C(C)C)c4ccccc42)C3)CC1
SELFIES: [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][Ring1][C][C@@H1][Branch1][C][O][C][N][C][C][C][C][Ring1][Branch1][C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][Ring2][Ring1][#Branch1][C][C][Ring2][Ring2][C]
InChI: InChI=1S/C27H40N6O4/c1-18(2)32-24-6-4-5-7-25(24)33(27(32)37)26(36)28-20-14-21-8-9-22(15-20)31(21)17-23(35)16-29-10-12-30(13-11-29)19(3)34/h4-7,18,20-23,35H,8-17H2,1-3H3,(H,28,36)/t20?,21?,22?,23-/m1/s1
SMILES: CC(C)n1c(=O)n(C(=O)NC2CC3CCC(C2)N3C[C@@H](O)CN2CCN(C(=O)C3CCCO3)CC2)c2ccccc21
SELFIES: [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C@@H1][Branch1][C][O][C][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C30H44N6O5/c1-20(2)35-25-6-3-4-7-26(25)36(30(35)40)29(39)31-21-16-22-9-10-23(17-21)34(22)19-24(37)18-32-11-13-33(14-12-32)28(38)27-8-5-15-41-27/h3-4,6-7,20-24,27,37H,5,8-19H2,1-2H3,(H,31,39)/t21?,22?,23?,24-,27?/m0/s1
SMILES: CC(C)n1c(=O)n(C(=O)NC2CC3CCC(C2)N3C[C@@H](O)CN2CCN(C(=O)[C@@H]3CCCO3)CC2)c2ccccc21
SELFIES: [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C@@H1][Branch1][C][O][C][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][O][Ring1][Branch1][C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][=Branch1]
InChI: InChI=1S/C30H44N6O5/c1-20(2)35-25-6-3-4-7-26(25)36(30(35)40)29(39)31-21-16-22-9-10-23(17-21)34(22)19-24(37)18-32-11-13-33(14-12-32)28(38)27-8-5-15-41-27/h3-4,6-7,20-24,27,37H,5,8-19H2,1-2H3,(H,31,39)/t21?,22?,23?,24-,27-/m0/s1
SMILES: CC(=O)N(C)C[C@H](O)CN1C2CCC1CC(NC(=O)n1c(=O)n(C(C)C)c3ccccc31)C2
SELFIES: [C][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][Branch1][C][O][C][N][C][C][C][C][Ring1][Branch1][C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C24H35N5O4/c1-15(2)28-21-7-5-6-8-22(21)29(24(28)33)23(32)25-17-11-18-9-10-19(12-17)27(18)14-20(31)13-26(4)16(3)30/h5-8,15,17-20,31H,9-14H2,1-4H3,(H,25,32)/t17?,18?,19?,20-/m0/s1
SMILES: CC(C)n1c(=O)n(C(=O)NC2CC3CCC(C2)N3C[C@@H](O)CN(C)S(=O)(=O)c2cn(C)cn2)c2ccccc21
SELFIES: [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C@@H1][Branch1][C][O][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][Ring2]
InChI: InChI=1S/C26H37N7O5S/c1-17(2)32-22-7-5-6-8-23(22)33(26(32)36)25(35)28-18-11-19-9-10-20(12-18)31(19)14-21(34)13-30(4)39(37,38)24-15-29(3)16-27-24/h5-8,15-21,34H,9-14H2,1-4H3,(H,28,35)/t18?,19?,20?,21-/m0/s1
SMILES: CC(C)n1c(=O)n(C(=O)NC2CC3CCC(C2)N3C[C@@H](O)CN(C)C(N)=O)c2ccccc21
SELFIES: [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C@@H1][Branch1][C][O][C][N][Branch1][C][C][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=C]
InChI: InChI=1S/C23H34N6O4/c1-14(2)28-19-6-4-5-7-20(19)29(23(28)33)22(32)25-15-10-16-8-9-17(11-15)27(16)13-18(30)12-26(3)21(24)31/h4-7,14-18,30H,8-13H2,1-3H3,(H2,24,31)(H,25,32)/t15?,16?,17?,18-/m0/s1
SMILES: CC(C)n1c(=O)n(C(=O)NC2CC3CCC(C2)N3CC(O)CN(C)S(=O)(=O)c2cn(C)cn2)c2ccccc21
SELFIES: [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][Branch1][C][O][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][Ring2]
InChI: InChI=1S/C26H37N7O5S/c1-17(2)32-22-7-5-6-8-23(22)33(26(32)36)25(35)28-18-11-19-9-10-20(12-18)31(19)14-21(34)13-30(4)39(37,38)24-15-29(3)16-27-24/h5-8,15-21,34H,9-14H2,1-4H3,(H,28,35)
SMILES: CC(C)n1c(=O)n(C(=O)NC2CC3CCC(C2)N3CC(O)CN(C)C(N)=O)c2ccccc21
SELFIES: [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][Branch1][C][O][C][N][Branch1][C][C][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=C]
InChI: InChI=1S/C23H34N6O4/c1-14(2)28-19-6-4-5-7-20(19)29(23(28)33)22(32)25-15-10-16-8-9-17(11-15)27(16)13-18(30)12-26(3)21(24)31/h4-7,14-18,30H,8-13H2,1-3H3,(H2,24,31)(H,25,32)
SMILES: CC(C)n1c(=O)n(C(=O)NC2CC3CCC(C2)N3CC(O)CN(C)C=O)c2ccccc21
SELFIES: [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][Branch1][C][O][C][N][Branch1][C][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=N]
InChI: InChI=1S/C23H33N5O4/c1-15(2)27-20-6-4-5-7-21(20)28(23(27)32)22(31)24-16-10-17-8-9-18(11-16)26(17)13-19(30)12-25(3)14-29/h4-7,14-19,30H,8-13H2,1-3H3,(H,24,31)
SMILES: CCN(C(C)=O)C1CCN(C(C)(C)C)C1
SELFIES: [C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][C][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2]
InChI: InChI=1S/C12H24N2O/c1-6-14(10(2)15)11-7-8-13(9-11)12(3,4)5/h11H,6-9H2,1-5H3
SMILES: CN(C1CCS(=O)(=O)CC1)C(C)(C)C
SELFIES: [C][N][Branch1][#C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C10H21NO2S/c1-10(2,3)11(4)9-5-7-14(12,13)8-6-9/h9H,5-8H2,1-4H3
SMILES: CN(C1CCN(C(C)(C)C)C1)S(C)(=O)=O
SELFIES: [C][N][Branch2][Ring1][C][C][C][C][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O]
InChI: InChI=1S/C10H22N2O2S/c1-10(2,3)12-7-6-9(8-12)11(4)15(5,13)14/h9H,6-8H2,1-5H3
SMILES: CC(=O)N(C)C1CCN(C(C)(C)C)C1
SELFIES: [C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2]
InChI: InChI=1S/C11H22N2O/c1-9(14)12(5)10-6-7-13(8-10)11(2,3)4/h10H,6-8H2,1-5H3
SMILES: CC(C)(C)N1CCC(N2CCCS2(=O)=O)C1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][N][C][C][C][Branch1][N][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][C][Ring1][N]
InChI: InChI=1S/C11H22N2O2S/c1-11(2,3)12-7-5-10(9-12)13-6-4-8-16(13,14)15/h10H,4-9H2,1-3H3
SMILES: CN(C(C)(C)C)S(=O)(=O)c1cn(C)cn1
SELFIES: [C][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1]
InChI: InChI=1S/C9H17N3O2S/c1-9(2,3)12(5)15(13,14)8-6-11(4)7-10-8/h6-7H,1-5H3
SMILES: COc1ccc(Oc2ccc(NC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][O][C][=C][C][=C][Branch2][Ring1][O][N][C][C@H1][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][NH1][C][=Branch1][C][=O][C][=C][C][Ring1][N][=Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C30H26N2O5/c1-36-28-15-11-22(17-25(28)19-5-3-2-4-6-19)37-21-9-7-20(8-10-21)31-18-27(34)23-12-14-26(33)30-24(23)13-16-29(35)32-30/h2-17,27,31,33-34H,18H2,1H3,(H,32,35)/t27-/m0/s1
SMILES: O=c1ccc2c([C@@H](O)CNc3ccc(Oc4cccc(-c5ccccc5)c4)cc3)ccc(O)c2[nH]1
SELFIES: [O][=C][C][=C][C][=C][Branch2][Ring2][=Branch1][C@@H1][Branch1][C][O][C][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][N][C][=C][Ring2][Ring1][Ring1][C][=C][C][Branch1][C][O][=C][Ring2][Ring1][=C][NH1][Ring2][Ring2][C]
InChI: InChI=1S/C29H24N2O4/c32-26-15-13-24(25-14-16-28(34)31-29(25)26)27(33)18-30-21-9-11-22(12-10-21)35-23-8-4-7-20(17-23)19-5-2-1-3-6-19/h1-17,27,30,32-33H,18H2,(H,31,34)/t27-/m0/s1
SMILES: C.O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1
SELFIES: [C].[O][=C][Branch2][Branch1][=Branch1][N][C][C][C][N][Branch2][Ring2][=Branch2][C][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
InChI: InChI=1S/C39H37F6N3O2.CH4/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45;/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49);1H4
SMILES: CC1(C(=O)Nc2nc(-c3ccc(F)c4ccccc34)c[nH]2)CC2c3ccccc3C1c1cccc(C(N)=O)c12
SELFIES: [C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][=C][NH1][Ring1][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][Ring1][P]
InChI: InChI=1S/C32H25FN4O2/c1-32(15-24-18-8-3-5-10-21(18)28(32)22-11-6-12-23(27(22)24)29(34)38)30(39)37-31-35-16-26(36-31)20-13-14-25(33)19-9-4-2-7-17(19)20/h2-14,16,24,28H,15H2,1H3,(H2,34,38)(H2,35,36,37,39)
SMILES: CC1(C(=O)Nc2nc(-c3ccc(F)c4ccccc34)cs2)CC2c3ccccc3C1c1cccc(C(N)=O)c12
SELFIES: [C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][=C][S][Ring1][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][Ring1][P]
InChI: InChI=1S/C32H24FN3O2S/c1-32(15-24-18-8-3-5-10-21(18)28(32)22-11-6-12-23(27(22)24)29(34)37)30(38)36-31-35-26(16-39-31)20-13-14-25(33)19-9-4-2-7-17(19)20/h2-14,16,24,28H,15H2,1H3,(H2,34,37)(H,35,36,38)
SMILES: CC1(C(=O)Nc2nc(-c3ccc(F)c4ccccc34)cs2)CC2c3ccccc3C1c1cccc(C#N)c12
SELFIES: [C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][=C][S][Ring1][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=N][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][Ring1][S]
InChI: InChI=1S/C32H22FN3OS/c1-32(15-25-20-9-3-5-11-23(20)29(32)24-12-6-7-18(16-34)28(24)25)30(37)36-31-35-27(17-38-31)22-13-14-26(33)21-10-4-2-8-19(21)22/h2-14,17,25,29H,15H2,1H3,(H,35,36,37)
SMILES: CC1(C(=O)Nc2nc(-c3ccc(F)c4ccccc34)cs2)CC2c3ccccc3C1c1cccc(CN)c12
SELFIES: [C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=N][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][=C][S][Ring1][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=N][C][=C][C][=C][C][Branch1][Ring1][C][N][=C][Ring1][Branch2][Ring1][S]
InChI: InChI=1S/C32H26FN3OS/c1-32(15-25-20-9-3-5-11-23(20)29(32)24-12-6-7-18(16-34)28(24)25)30(37)36-31-35-27(17-38-31)22-13-14-26(33)21-10-4-2-8-19(21)22/h2-14,17,25,29H,15-16,34H2,1H3,(H,35,36,37)
SMILES: O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)NCC2)C1CCN(Cc2ccccc2)CC1
SELFIES: [O][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
InChI: InChI=1S/C29H31N3O/c33-29(14-11-23-7-3-1-4-8-23)32(27-13-12-25-15-18-30-28(25)21-27)26-16-19-31(20-17-26)22-24-9-5-2-6-10-24/h1-14,21,26,30H,15-20,22H2/b14-11+
SMILES: O=CN1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [O][=C][N][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C30H31N3O2/c34-23-32-20-15-26-12-13-28(21-29(26)32)33(30(35)14-11-24-7-3-1-4-8-24)27-16-18-31(19-17-27)22-25-9-5-2-6-10-25/h1-14,21,23,27H,15-20,22H2/b14-11+
SMILES: CC(=O)CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C33H35N3O3/c1-25(37)22-33(39)35-21-16-28-13-14-30(23-31(28)35)36(32(38)15-12-26-8-4-2-5-9-26)29-17-19-34(20-18-29)24-27-10-6-3-7-11-27/h2-15,23,29H,16-22,24H2,1H3/b15-12+
SMILES: CCOC(=O)C(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C33H35N3O4/c1-2-40-33(39)32(38)35-22-17-27-14-15-29(23-30(27)35)36(31(37)16-13-25-9-5-3-6-10-25)28-18-20-34(21-19-28)24-26-11-7-4-8-12-26/h3-16,23,28H,2,17-22,24H2,1H3/b16-13+
SMILES: CN1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][N][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C30H33N3O/c1-31-19-16-26-13-14-28(22-29(26)31)33(30(34)15-12-24-8-4-2-5-9-24)27-17-20-32(21-18-27)23-25-10-6-3-7-11-25/h2-15,22,27H,16-21,23H2,1H3/b15-12+
SMILES: CS(=O)(=O)N1CCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C30H33N3O3S/c1-37(35,36)32-21-16-26-13-14-28(22-29(26)32)33(30(34)15-12-24-8-4-2-5-9-24)27-17-19-31(20-18-27)23-25-10-6-3-7-11-25/h2-15,22,27H,16-21,23H2,1H3/b15-12+
SMILES: O=C(/C=C/c1ccccc1)N(c1ccc2c(c1)N(C(=O)C(F)(F)F)CC2)C1CCN(Cc2ccccc2)CC1
SELFIES: [O][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
InChI: InChI=1S/C31H30F3N3O2/c32-31(33,34)30(39)36-20-15-25-12-13-27(21-28(25)36)37(29(38)14-11-23-7-3-1-4-8-23)26-16-18-35(19-17-26)22-24-9-5-2-6-10-24/h1-14,21,26H,15-20,22H2/b14-11+
SMILES: CC(=O)N1CCCc2ccc(N(C(=O)/C=C/c3ccccc3)C3CCN(Cc4ccccc4)CC3)cc21
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch1][#C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][=C][Ring2][Ring2][C]
InChI: InChI=1S/C32H35N3O2/c1-25(36)34-20-8-13-28-15-16-30(23-31(28)34)35(32(37)17-14-26-9-4-2-5-10-26)29-18-21-33(22-19-29)24-27-11-6-3-7-12-27/h2-7,9-12,14-17,23,29H,8,13,18-22,24H2,1H3/b17-14+