EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCN(CC(NCc1ccc2[nH]c(-c3cc(N)nc4[nH]c(C)nc34)cc2c1)C(=O)OC)c1ccccc1
SELFIES: [C][C][N][Branch2][Branch1][C][C][C][Branch2][Ring2][#Branch1][N][C][C][=C][C][=C][NH1][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][C][N][=N][C][NH1][C][Branch1][C][C][=N][C][Ring1][O][=Ring1][=Branch1][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C28H31N7O2/c1-4-35(20-8-6-5-7-9-20)16-24(28(36)37-3)30-15-18-10-11-22-19(12-18)13-23(33-22)21-14-25(29)34-27-26(21)31-17(2)32-27/h5-14,24,30,33H,4,15-16H2,1-3H3,(H3,29,31,32,34)
SMILES: Cc1nc2c(-c3cc4cc(CN5CCS(=O)CC5)ccc4[nH]3)cc(N)cc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][Branch1][=N][C][N][C][C][S][=Branch1][C][=O][C][C][Ring1][#Branch1][=C][C][=C][Ring1][=C][NH1][Ring1][P][C][=C][Branch1][C][N][C][=C][Ring2][Ring1][Branch2][NH1][Ring2][Ring1][O]
InChI: InChI=1S/C21H23N5OS/c1-13-23-20-11-16(22)10-17(21(20)24-13)19-9-15-8-14(2-3-18(15)25-19)12-26-4-6-28(27)7-5-26/h2-3,8-11,25H,4-7,12,22H2,1H3,(H,23,24)
SMILES: Cc1nc2c(-c3cc4cc(CN5C[C@@H](O)[C@@H](O)C5)ccc4[nH]3)cc(N)nc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][=C][C][=C][C][=C][C][Branch1][#C][C][N][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][Ring1][#Branch1][=C][C][=C][Ring1][=C][NH1][Ring1][P][C][=C][Branch1][C][N][N][=C][Ring2][Ring1][Branch2][NH1][Ring2][Ring1][O]
InChI: InChI=1S/C20H22N6O2/c1-10-22-19-13(6-18(21)25-20(19)23-10)15-5-12-4-11(2-3-14(12)24-15)7-26-8-16(27)17(28)9-26/h2-6,16-17,24,27-28H,7-9H2,1H3,(H3,21,22,23,25)/t16-,17+
SMILES: Cc1nc2c(-c3cc4cc(CN(C)CC5CCC(=O)CC5)ccc4[nH]3)cc(N)nc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring2][Ring1][C][=C][C][=C][C][Branch2][Ring1][C][C][N][Branch1][C][C][C][C][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1][=C][C][=C][Ring1][P][NH1][Ring2][Ring1][Ring2][C][=C][Branch1][C][N][N][=C][Ring2][Ring1][O][NH1][Ring2][Ring1][=C]
InChI: InChI=1S/C24H28N6O/c1-14-26-23-19(11-22(25)29-24(23)27-14)21-10-17-9-16(5-8-20(17)28-21)13-30(2)12-15-3-6-18(31)7-4-15/h5,8-11,15,28H,3-4,6-7,12-13H2,1-2H3,(H3,25,26,27,29)
SMILES: Cc1nc2c(-c3cc4cc(CN(C)C5CCC5)ccc4[nH]3)ccnc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][O][C][=C][C][=C][C][Branch1][N][C][N][Branch1][C][C][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][=N][NH1][Ring1][S][C][=C][N][=C][Ring2][Ring1][=Branch1][NH1][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C21H23N5/c1-13-23-20-17(8-9-22-21(20)24-13)19-11-15-10-14(6-7-18(15)25-19)12-26(2)16-4-3-5-16/h6-11,16,25H,3-5,12H2,1-2H3,(H,22,23,24)
SMILES: COC[C@@H]1CCCN1Cc1ccc2[nH]c(-c3ccnc4[nH]c(C)nc34)cc2c1
SELFIES: [C][O][C][C@@H1][C][C][C][N][Ring1][Branch1][C][C][=C][C][=C][NH1][C][Branch1][P][C][=C][C][=N][C][NH1][C][Branch1][C][C][=N][C][Ring1][#Branch2][=Ring1][=Branch1][=C][C][Ring1][#C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C22H25N5O/c1-14-24-21-18(7-8-23-22(21)25-14)20-11-16-10-15(5-6-19(16)26-20)12-27-9-3-4-17(27)13-28-2/h5-8,10-11,17,26H,3-4,9,12-13H2,1-2H3,(H,23,24,25)/t17-/m0/s1
SMILES: CCN(C)Cc1ccc2[nH]c(-c3cc(N)nc4[nH]c(C)nc34)cc2c1
SELFIES: [C][C][N][Branch1][C][C][C][C][=C][C][=C][NH1][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][C][N][=N][C][NH1][C][Branch1][C][C][=N][C][Ring1][O][=Ring1][=Branch1][=C][C][Ring1][S][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C19H22N6/c1-4-25(3)10-12-5-6-15-13(7-12)8-16(23-15)14-9-17(20)24-19-18(14)21-11(2)22-19/h5-9,23H,4,10H2,1-3H3,(H3,20,21,22,24)
SMILES: Cc1nc2c(-c3cc4cc(CCN5CCOCC5)ccc4[nH]3)ccnc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][NH1][Ring1][P][C][=C][N][=C][Ring2][Ring1][#Branch1][NH1][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C21H23N5O/c1-14-23-20-17(4-6-22-21(20)24-14)19-13-16-12-15(2-3-18(16)25-19)5-7-26-8-10-27-11-9-26/h2-4,6,12-13,25H,5,7-11H2,1H3,(H,22,23,24)
SMILES: Cc1nc2c(-c3cc4cc(/C=C/CN5CCOCC5)ccc4[nH]3)ccnc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][Branch1][N][/C][=C][/C][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][NH1][Ring2][Ring1][C][C][=C][N][=C][Ring2][Ring1][Branch2][NH1][Ring2][Ring1][O]
InChI: InChI=1S/C22H23N5O/c1-15-24-21-18(6-7-23-22(21)25-15)20-14-17-13-16(4-5-19(17)26-20)3-2-8-27-9-11-28-12-10-27/h2-7,13-14,26H,8-12H2,1H3,(H,23,24,25)/b3-2+
SMILES: Cc1nc2c(-c3cc4ccc(/C=C/CN5CCOCC5)cc4[nH]3)ccnc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Branch1][N][/C][=C][/C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][NH1][Ring2][Ring1][C][C][=C][N][=C][Ring2][Ring1][Branch2][NH1][Ring2][Ring1][O]
InChI: InChI=1S/C22H23N5O/c1-15-24-21-18(6-7-23-22(21)25-15)20-14-17-5-4-16(13-19(17)26-20)3-2-8-27-9-11-28-12-10-27/h2-7,13-14,26H,8-12H2,1H3,(H,23,24,25)/b3-2+
SMILES: Cc1nc2c(-c3cc4ccc(CCN5CCOCC5)cc4[nH]3)ccnc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][=C][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][NH1][Ring1][P][C][=C][N][=C][Ring2][Ring1][#Branch1][NH1][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C21H23N5O/c1-14-23-20-17(4-6-22-21(20)24-14)19-13-16-3-2-15(12-18(16)25-19)5-7-26-8-10-27-11-9-26/h2-4,6,12-13,25H,5,7-11H2,1H3,(H,22,23,24)
SMILES: Cc1nc2c(-c3cc4c(CN(C)C5CCC6(CC5)COC(C)(C)OC6)cccc4[nH]3)ccnc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring2][#C][C][=C][C][=C][Branch2][Ring1][=N][C][N][Branch1][C][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#Branch2][C][=C][C][=C][Ring2][Ring1][=Branch1][NH1][Ring2][Ring1][=Branch2][C][=C][N][=C][Ring2][Ring1][#C][NH1][Ring2][Ring2][C]
InChI: InChI=1S/C28H35N5O2/c1-18-30-25-21(10-13-29-26(25)31-18)24-14-22-19(6-5-7-23(22)32-24)15-33(4)20-8-11-28(12-9-20)16-34-27(2,3)35-17-28/h5-7,10,13-14,20,32H,8-9,11-12,15-17H2,1-4H3,(H,29,30,31)
SMILES: Cc1nc2c(-c3cc4cc(CN5CCC5)ccc4[nH]3)ccnc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][Branch2][C][N][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][O][NH1][Ring1][=C][C][=C][N][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C19H19N5/c1-12-21-18-15(5-6-20-19(18)22-12)17-10-14-9-13(3-4-16(14)23-17)11-24-7-2-8-24/h3-6,9-10,23H,2,7-8,11H2,1H3,(H,20,21,22)
SMILES: Cc1nc2c(-c3cc4ccc(CN(C)C5CCCC5)cc4[nH]3)cc(N)nc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Branch1][=N][C][N][Branch1][C][C][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][NH1][Ring1][P][C][=C][Branch1][C][N][N][=C][Ring2][Ring1][Branch2][NH1][Ring2][Ring1][O]
InChI: InChI=1S/C22H26N6/c1-13-24-21-17(11-20(23)27-22(21)25-13)19-10-15-8-7-14(9-18(15)26-19)12-28(2)16-5-3-4-6-16/h7-11,16,26H,3-6,12H2,1-2H3,(H3,23,24,25,27)
SMILES: Cc1nc2c(-c3cc4ccc(CN(C)C5CCCC5)cc4[nH]3)ccnc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Branch1][=N][C][N][Branch1][C][C][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][NH1][Ring1][P][C][=C][N][=C][Ring2][Ring1][#Branch1][NH1][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C22H25N5/c1-14-24-21-18(9-10-23-22(21)25-14)20-12-16-8-7-15(11-19(16)26-20)13-27(2)17-5-3-4-6-17/h7-12,17,26H,3-6,13H2,1-2H3,(H,23,24,25)
SMILES: Cc1nc2c(-c3cc4ccc(CN5CCC5)cc4[nH]3)ccnc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][=C][Branch1][Branch2][C][N][C][C][C][Ring1][Ring2][C][=C][Ring1][O][NH1][Ring1][=C][C][=C][N][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C19H19N5/c1-12-21-18-15(5-6-20-19(18)22-12)17-10-14-4-3-13(9-16(14)23-17)11-24-7-2-8-24/h3-6,9-10,23H,2,7-8,11H2,1H3,(H,20,21,22)
SMILES: Cc1nc2c(-c3cc4c(CN(C)C5CCC6(CC5)OCC(C)(C)CO6)cccc4[nH]3)cc(N)nc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring2][#C][C][=C][C][=C][Branch2][Ring1][=N][C][N][Branch1][C][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][#Branch2][C][=C][C][=C][Ring2][Ring1][=Branch1][NH1][Ring2][Ring1][=Branch2][C][=C][Branch1][C][N][N][=C][Ring2][Ring1][S][NH1][Ring2][Ring2][Ring1]
InChI: InChI=1S/C28H36N6O2/c1-17-30-25-21(13-24(29)33-26(25)31-17)23-12-20-18(6-5-7-22(20)32-23)14-34(4)19-8-10-28(11-9-19)35-15-27(2,3)16-36-28/h5-7,12-13,19,32H,8-11,14-16H2,1-4H3,(H3,29,30,31,33)
SMILES: Cc1nc2c(-c3cc4cc(CNC5CC5)ccc4[nH]3)ccnc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][Branch2][C][N][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][O][NH1][Ring1][=C][C][=C][N][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C19H19N5/c1-11-22-18-15(6-7-20-19(18)23-11)17-9-13-8-12(2-5-16(13)24-17)10-21-14-3-4-14/h2,5-9,14,21,24H,3-4,10H2,1H3,(H,20,22,23)
SMILES: Cc1nc2c(-c3cc4cc(CNC5CCC5)ccc4[nH]3)ccnc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring1][N][NH1][Ring1][#C][C][=C][N][=C][Ring2][Ring1][Branch1][NH1][Ring2][Ring1][Branch2]
InChI: InChI=1S/C20H21N5/c1-12-23-19-16(7-8-21-20(19)24-12)18-10-14-9-13(5-6-17(14)25-18)11-22-15-3-2-4-15/h5-10,15,22,25H,2-4,11H2,1H3,(H,21,23,24)
SMILES: Cc1nc2c(-c3cc4cc(CNC5CCCC5)ccc4[nH]3)ccnc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][=N][NH1][Ring1][S][C][=C][N][=C][Ring2][Ring1][=Branch1][NH1][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C21H23N5/c1-13-24-20-17(8-9-22-21(20)25-13)19-11-15-10-14(6-7-18(15)26-19)12-23-16-4-2-3-5-16/h6-11,16,23,26H,2-5,12H2,1H3,(H,22,24,25)
SMILES: Cc1nc2c(-c3cc4cc(CNCC5CC6(C)CCC5C6(C)C)ccc4[nH]3)ccnc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring2][Branch2][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][C][C][C][Branch1][C][C][C][C][C][Ring1][#Branch1][C][Ring1][=Branch1][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Ring1][NH1][Ring2][Ring1][=Branch1][C][=C][N][=C][Ring2][Ring1][N][NH1][Ring2][Ring1][#C]
InChI: InChI=1S/C27H33N5/c1-16-30-24-20(8-10-29-25(24)31-16)23-12-18-11-17(5-6-22(18)32-23)14-28-15-19-13-27(4)9-7-21(19)26(27,2)3/h5-6,8,10-12,19,21,28,32H,7,9,13-15H2,1-4H3,(H,29,30,31)
SMILES: Cc1nc2c(-c3cc4cc(C(=O)O)ccc4[nH]3)cc(N)nc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][NH1][Ring1][N][C][=C][Branch1][C][N][N][=C][Ring2][Ring1][Ring1][NH1][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C16H13N5O2/c1-7-18-14-10(6-13(17)21-15(14)19-7)12-5-9-4-8(16(22)23)2-3-11(9)20-12/h2-6,20H,1H3,(H,22,23)(H3,17,18,19,21)
SMILES: Cc1nc2c(-c3cc4cc(CN(C)C5CCCCC5)ccc4[nH]3)cc(F)nc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][=C][C][=C][C][=C][C][Branch1][=C][C][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][NH1][Ring2][Ring1][C][C][=C][Branch1][C][F][N][=C][Ring2][Ring1][=Branch2][NH1][Ring2][Ring1][N]
InChI: InChI=1S/C23H26FN5/c1-14-25-22-18(12-21(24)28-23(22)26-14)20-11-16-10-15(8-9-19(16)27-20)13-29(2)17-6-4-3-5-7-17/h8-12,17,27H,3-7,13H2,1-2H3,(H,25,26,28)
SMILES: C#CCN(C)C(=O)c1ccc2cc(-c3ccnc4[nH]c(C)nc34)[nH]c2c1
SELFIES: [C][#C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][P][C][=C][C][=N][C][NH1][C][Branch1][C][C][=N][C][Ring1][#Branch2][=Ring1][=Branch1][NH1][C][Ring1][#C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C20H17N5O/c1-4-9-25(3)20(26)14-6-5-13-10-17(24-16(13)11-14)15-7-8-21-19-18(15)22-12(2)23-19/h1,5-8,10-11,24H,9H2,2-3H3,(H,21,22,23)
SMILES: C=CCNC(=O)c1ccc2cc(-c3ccnc4[nH]c(C)nc34)[nH]c2c1
SELFIES: [C][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][P][C][=C][C][=N][C][NH1][C][Branch1][C][C][=N][C][Ring1][#Branch2][=Ring1][=Branch1][NH1][C][Ring1][#C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C19H17N5O/c1-3-7-21-19(25)13-5-4-12-9-16(24-15(12)10-13)14-6-8-20-18-17(14)22-11(2)23-18/h3-6,8-10,24H,1,7H2,2H3,(H,21,25)(H,20,22,23)
SMILES: Cc1nc2c(-c3cc4ccc(C(=O)NC(C)(C)C)cc4[nH]3)ccnc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][=N][C][=C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][NH1][Ring1][S][C][=C][N][=C][Ring2][Ring1][=Branch1][NH1][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H21N5O/c1-11-22-17-14(7-8-21-18(17)23-11)16-9-12-5-6-13(10-15(12)24-16)19(26)25-20(2,3)4/h5-10,24H,1-4H3,(H,25,26)(H,21,22,23)
SMILES: C=CCN(C)C(=O)c1ccc2cc(-c3ccnc4[nH]c(C)nc34)[nH]c2c1
SELFIES: [C][=C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][P][C][=C][C][=N][C][NH1][C][Branch1][C][C][=N][C][Ring1][#Branch2][=Ring1][=Branch1][NH1][C][Ring1][#C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C20H19N5O/c1-4-9-25(3)20(26)14-6-5-13-10-17(24-16(13)11-14)15-7-8-21-19-18(15)22-12(2)23-19/h4-8,10-11,24H,1,9H2,2-3H3,(H,21,22,23)
SMILES: Cc1nc2c(-c3cc4ccc(C(=O)NC(CO)C(C)(C)C)cc4[nH]3)ccnc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][S][NH1][Ring2][Ring1][Ring1][C][=C][N][=C][Ring2][Ring1][=Branch2][NH1][Ring2][Ring1][N]
InChI: InChI=1S/C22H25N5O2/c1-12-24-19-15(7-8-23-20(19)25-12)17-9-13-5-6-14(10-16(13)26-17)21(29)27-18(11-28)22(2,3)4/h5-10,18,26,28H,11H2,1-4H3,(H,27,29)(H,23,24,25)
SMILES: Cc1nc2c(-c3cc4ccc(C(=O)N(C)C(C)C)cc4[nH]3)ccnc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][=N][C][=C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][C][=C][Ring1][=N][NH1][Ring1][S][C][=C][N][=C][Ring2][Ring1][=Branch1][NH1][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H21N5O/c1-11(2)25(4)20(26)14-6-5-13-9-17(24-16(13)10-14)15-7-8-21-19-18(15)22-12(3)23-19/h5-11,24H,1-4H3,(H,21,22,23)
SMILES: Cc1nc2c(-c3cc4ccc(C(=O)NCCCOC(C)C)cc4[nH]3)ccnc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][#C][C][=C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][O][C][Branch1][C][C][C][C][=C][Ring1][S][NH1][Ring2][Ring1][Ring1][C][=C][N][=C][Ring2][Ring1][=Branch2][NH1][Ring2][Ring1][N]
InChI: InChI=1S/C22H25N5O2/c1-13(2)29-10-4-8-24-22(28)16-6-5-15-11-19(27-18(15)12-16)17-7-9-23-21-20(17)25-14(3)26-21/h5-7,9,11-13,27H,4,8,10H2,1-3H3,(H,24,28)(H,23,25,26)
SMILES: CC[C@@H](C)NC(=O)c1ccc2cc(-c3ccnc4[nH]c(C)nc34)[nH]c2c1
SELFIES: [C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][P][C][=C][C][=N][C][NH1][C][Branch1][C][C][=N][C][Ring1][#Branch2][=Ring1][=Branch1][NH1][C][Ring1][#C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C20H21N5O/c1-4-11(2)22-20(26)14-6-5-13-9-17(25-16(13)10-14)15-7-8-21-19-18(15)23-12(3)24-19/h5-11,25H,4H2,1-3H3,(H,22,26)(H,21,23,24)/t11-/m1/s1
SMILES: CC[C@H](C)NC(=O)c1ccc2cc(-c3ccnc4[nH]c(C)nc34)[nH]c2c1
SELFIES: [C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][P][C][=C][C][=N][C][NH1][C][Branch1][C][C][=N][C][Ring1][#Branch2][=Ring1][=Branch1][NH1][C][Ring1][#C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C20H21N5O/c1-4-11(2)22-20(26)14-6-5-13-9-17(25-16(13)10-14)15-7-8-21-19-18(15)23-12(3)24-19/h5-11,25H,4H2,1-3H3,(H,22,26)(H,21,23,24)/t11-/m0/s1
SMILES: Cc1nc2c(-c3cc4ccc(C(=O)N5CC=CC5)cc4[nH]3)ccnc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][O][C][=C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][Ring1][Branch1][C][=C][Ring1][=N][NH1][Ring1][S][C][=C][N][=C][Ring2][Ring1][=Branch1][NH1][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C20H17N5O/c1-12-22-18-15(6-7-21-19(18)23-12)17-10-13-4-5-14(11-16(13)24-17)20(26)25-8-2-3-9-25/h2-7,10-11,24H,8-9H2,1H3,(H,21,22,23)
SMILES: Cc1nc2c(-c3cc4ccc(C(=O)N[C@@H](CO)CC(C)C)cc4[nH]3)ccnc2[nH]1
SELFIES: [C][C][=N][C][=C][Branch2][Ring1][P][C][=C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][C][Branch1][C][C][C][C][=C][Ring1][S][NH1][Ring2][Ring1][Ring1][C][=C][N][=C][Ring2][Ring1][=Branch2][NH1][Ring2][Ring1][N]
InChI: InChI=1S/C22H25N5O2/c1-12(2)8-16(11-28)26-22(29)15-5-4-14-9-19(27-18(14)10-15)17-6-7-23-21-20(17)24-13(3)25-21/h4-7,9-10,12,16,27-28H,8,11H2,1-3H3,(H,26,29)(H,23,24,25)/t16-/m1/s1
SMILES: CC(=O)N1CCc2ccc(OCCCN3CCCCC3)cc2C1
SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S][C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C19H28N2O2/c1-16(22)21-12-8-17-6-7-19(14-18(17)15-21)23-13-5-11-20-9-3-2-4-10-20/h6-7,14H,2-5,8-13,15H2,1H3
SMILES: CN(C)CCCOc1ccc2c(c1)CCNC2.Cl.Cl
SELFIES: [C][N][Branch1][C][C][C][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][C][Ring1][#Branch1].[Cl].[Cl]
InChI: InChI=1S/C14H22N2O.2ClH/c1-16(2)8-3-9-17-14-5-4-13-11-15-7-6-12(13)10-14;;/h4-5,10,15H,3,6-9,11H2,1-2H3;2*1H
SMILES: CC1CCCCN1CCCOc1ccc2c(c1)CCNC2.Cl.Cl
SELFIES: [C][C][C][C][C][C][N][Ring1][=Branch1][C][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][C][Ring1][#Branch1].[Cl].[Cl]
InChI: InChI=1S/C18H28N2O.2ClH/c1-15-5-2-3-10-20(15)11-4-12-21-18-7-6-17-14-19-9-8-16(17)13-18;;/h6-7,13,15,19H,2-5,8-12,14H2,1H3;2*1H
SMILES: CC(C)(C)OC(=O)N1CCc2cccc(O)c2C1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Ring1][O]
InChI: InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-8-7-10-5-4-6-12(16)11(10)9-15/h4-6,16H,7-9H2,1-3H3
SMILES: CCN1CCc2cc(O)ccc2C1=O
SELFIES: [C][C][N][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][Ring1][O][=O]
InChI: InChI=1S/C11H13NO2/c1-2-12-6-5-8-7-9(13)3-4-10(8)11(12)14/h3-4,7,13H,2,5-6H2,1H3
SMILES: CN(C)CCCOc1ccc2c(c1)CCCC2=O
SELFIES: [C][N][Branch1][C][C][C][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=O]
InChI: InChI=1S/C15H21NO2/c1-16(2)9-4-10-18-13-7-8-14-12(11-13)5-3-6-15(14)17/h7-8,11H,3-6,9-10H2,1-2H3
SMILES: CC(COc1ccc2c(c1)CCCC2=O)CN(C)C
SELFIES: [C][C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=O][C][N][Branch1][C][C][C]
InChI: InChI=1S/C16H23NO2/c1-12(10-17(2)3)11-19-14-7-8-15-13(9-14)5-4-6-16(15)18/h7-9,12H,4-6,10-11H2,1-3H3
SMILES: CN1CCCC(COc2ccc3c(c2)CCCC3=O)C1
SELFIES: [C][N][C][C][C][C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1][=O][C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C17H23NO2/c1-18-9-3-4-13(11-18)12-20-15-7-8-16-14(10-15)5-2-6-17(16)19/h7-8,10,13H,2-6,9,11-12H2,1H3
SMILES: CCC(=O)c1ccc(OCC(C)CN(C)C)cc1
SELFIES: [C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][O][C][C][Branch1][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][=C]
InChI: InChI=1S/C15H23NO2/c1-5-15(17)13-6-8-14(9-7-13)18-11-12(2)10-16(3)4/h6-9,12H,5,10-11H2,1-4H3
SMILES: CCCC(=O)c1ccc(OCC(C)CN(C)C)cc1
SELFIES: [C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][O][C][C][Branch1][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][=C]
InChI: InChI=1S/C16H25NO2/c1-5-6-16(18)14-7-9-15(10-8-14)19-12-13(2)11-17(3)4/h7-10,13H,5-6,11-12H2,1-4H3
SMILES: O=C1CCCc2cc(OCCCN3CCCCC3)ccc21
SELFIES: [O][=C][C][C][C][C][=C][C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][S][Ring2][Ring1][Ring2]
InChI: InChI=1S/C18H25NO2/c20-18-7-4-6-15-14-16(8-9-17(15)18)21-13-5-12-19-10-2-1-3-11-19/h8-9,14H,1-7,10-13H2
SMILES: O=C1CCCc2cc(OCCN3CCCCC3)ccc21
SELFIES: [O][=C][C][C][C][C][=C][C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C17H23NO2/c19-17-6-4-5-14-13-15(7-8-16(14)17)20-12-11-18-9-2-1-3-10-18/h7-8,13H,1-6,9-12H2
SMILES: CCC(=O)c1ccc(OCCCN2CCCCC2)cc1
SELFIES: [C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][S]
InChI: InChI=1S/C17H25NO2/c1-2-17(19)15-7-9-16(10-8-15)20-14-6-13-18-11-4-3-5-12-18/h7-10H,2-6,11-14H2,1H3
SMILES: CCC(=O)c1ccc(OCCN2CCCCC2)cc1
SELFIES: [C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C]
InChI: InChI=1S/C16H23NO2/c1-2-16(18)14-6-8-15(9-7-14)19-13-12-17-10-4-3-5-11-17/h6-9H,2-5,10-13H2,1H3
SMILES: CCCC(=O)c1ccc(OCCCN(C)C)cc1
SELFIES: [C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][=N]
InChI: InChI=1S/C15H23NO2/c1-4-6-15(17)13-7-9-14(10-8-13)18-12-5-11-16(2)3/h7-10H,4-6,11-12H2,1-3H3
SMILES: CCCC(=O)c1ccc(OCCN2CCCCC2)cc1
SELFIES: [C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C]
InChI: InChI=1S/C17H25NO2/c1-2-6-17(19)15-7-9-16(10-8-15)20-14-13-18-11-4-3-5-12-18/h7-10H,2-6,11-14H2,1H3
SMILES: CC1CCCCN1CCN
SELFIES: [C][C][C][C][C][C][N][Ring1][=Branch1][C][C][N]
InChI: InChI=1S/C8H18N2/c1-8-4-2-3-6-10(8)7-5-9/h8H,2-7,9H2,1H3
SMILES: Cc1cccc(N(C)CCN)c1
SELFIES: [C][C][=C][C][=C][C][Branch1][Branch2][N][Branch1][C][C][C][C][N][=C][Ring1][O]
InChI: InChI=1S/C10H16N2/c1-9-4-3-5-10(8-9)12(2)7-6-11/h3-5,8H,6-7,11H2,1-2H3
SMILES: CCN(CC)CCCC(C)N
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][C][Branch1][C][C][N]
InChI: InChI=1S/C9H22N2/c1-4-11(5-2)8-6-7-9(3)10/h9H,4-8,10H2,1-3H3
SMILES: NCCCN1CCCCCC1
SELFIES: [N][C][C][C][N][C][C][C][C][C][C][Ring1][#Branch1]
InChI: InChI=1S/C9H20N2/c10-6-5-9-11-7-3-1-2-4-8-11/h1-10H2
SMILES: O=S(=O)(Cl)c1ccccc1
SELFIES: [O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C6H5ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
SMILES: O=C(Oc1ccccc1)c1ccc(OCCN2CCCCC2)cc1
SELFIES: [O][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C]
InChI: InChI=1S/C20H23NO3/c22-20(24-19-7-3-1-4-8-19)17-9-11-18(12-10-17)23-16-15-21-13-5-2-6-14-21/h1,3-4,7-12H,2,5-6,13-16H2
SMILES: CCN(CC)CCCOc1ccc(C(C)N(CCN(C)C)S(C)(=O)=O)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][C][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][C]
InChI: InChI=1S/C20H37N3O3S/c1-7-22(8-2)14-9-17-26-20-12-10-19(11-13-20)18(3)23(27(6,24)25)16-15-21(4)5/h10-13,18H,7-9,14-17H2,1-6H3
SMILES: CN(C)CCCOc1ccc(CO)cc1
SELFIES: [C][N][Branch1][C][C][C][C][C][O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2]
InChI: InChI=1S/C12H19NO2/c1-13(2)8-3-9-15-12-6-4-11(10-14)5-7-12/h4-7,14H,3,8-10H2,1-2H3
SMILES: CCN(CC)CCCOc1ccc(CNCCN(C)C)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][N][Branch1][C][C][C][C][=C][Ring1][=N]
InChI: InChI=1S/C18H33N3O/c1-5-21(6-2)13-7-15-22-18-10-8-17(9-11-18)16-19-12-14-20(3)4/h8-11,19H,5-7,12-16H2,1-4H3
SMILES: CC(N[C@@H](C)c1ccccc1)c1ccc(OCCCN(C)C)cc1
SELFIES: [C][C][Branch1][=C][N][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][=N]
InChI: InChI=1S/C21H30N2O/c1-17(19-9-6-5-7-10-19)22-18(2)20-11-13-21(14-12-20)24-16-8-15-23(3)4/h5-7,9-14,17-18,22H,8,15-16H2,1-4H3/t17-,18?/m0/s1
SMILES: CC(c1ccc(OCCCN(C)C)cc1)N1CC[C@H](N(C)C)C1
SELFIES: [C][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][=N][N][C][C][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C][Ring1][Branch2]
InChI: InChI=1S/C19H33N3O/c1-16(22-13-11-18(15-22)21(4)5)17-7-9-19(10-8-17)23-14-6-12-20(2)3/h7-10,16,18H,6,11-15H2,1-5H3/t16?,18-/m0/s1
SMILES: CCN(CCNC(C)c1ccc(OCCCN(C)C)cc1)c1cccc(C)c1
SELFIES: [C][C][N][Branch2][Ring1][O][C][C][N][C][Branch1][C][C][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][=N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C24H37N3O/c1-6-27(23-10-7-9-20(2)19-23)17-15-25-21(3)22-11-13-24(14-12-22)28-18-8-16-26(4)5/h7,9-14,19,21,25H,6,8,15-18H2,1-5H3
SMILES: CC(NCCCN1CCCCC1C)c1ccc(OCCCN(C)C)cc1
SELFIES: [C][C][Branch1][=C][N][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][N][Branch1][C][C][C][C][=C][Ring1][=N]
InChI: InChI=1S/C22H39N3O/c1-19-9-5-6-16-25(19)17-7-14-23-20(2)21-10-12-22(13-11-21)26-18-8-15-24(3)4/h10-13,19-20,23H,5-9,14-18H2,1-4H3
SMILES: CCN(CC)CCCOc1ccc(COCCN(C)C)cc1
SELFIES: [C][C][N][Branch1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][#Branch2][C][O][C][C][N][Branch1][C][C][C][C][=C][Ring1][=N]
InChI: InChI=1S/C18H32N2O2/c1-5-20(6-2)12-7-14-22-18-10-8-17(9-11-18)16-21-15-13-19(3)4/h8-11H,5-7,12-16H2,1-4H3