EdisonScientific/glyph-datasets huggingface dataset:
SMILES: N=C(c1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1
SELFIES: [N][=C][Branch2][Branch1][Ring1][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=C][N][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C27H26ClN5O5/c28-19-8-11-23(30-15-19)32-27(37)21-14-20(38-16-24(34)35)9-10-22(21)31-26(36)18-6-4-17(5-7-18)25(29)33-12-2-1-3-13-33/h4-11,14-15,29H,1-3,12-13,16H2,(H,31,36)(H,34,35)(H,30,32,37)
SMILES: CCOC(=O)COc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=N][C][C][N][Ring1][Branch1][C][C][=C][Ring1][N][F][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][S]
InChI: InChI=1S/C27H25ClFN5O5/c1-3-38-24(35)15-39-18-6-8-22(20(13-18)27(37)33-23-9-5-17(28)14-31-23)32-26(36)19-7-4-16(12-21(19)29)25-30-10-11-34(25)2/h4-9,12-14H,3,10-11,15H2,1-2H3,(H,32,36)(H,31,33,37)
SMILES: CN1CCN=C1c1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
SELFIES: [C][N][C][C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][Branch1][C][F][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C25H21ClFN5O5/c1-32-9-8-28-23(32)14-2-5-17(19(27)10-14)24(35)30-20-6-4-16(37-13-22(33)34)11-18(20)25(36)31-21-7-3-15(26)12-29-21/h2-7,10-12H,8-9,13H2,1H3,(H,30,35)(H,33,34)(H,29,31,36)
SMILES: CCOC(=O)COc1ccc(NC(=O)c2ccc(C(=N)N)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][N][C][=C][Ring1][=Branch2][F][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][=N]
InChI: InChI=1S/C24H21ClFN5O5/c1-2-35-21(32)12-36-15-5-7-19(17(10-15)24(34)31-20-8-4-14(25)11-29-20)30-23(33)16-6-3-13(22(27)28)9-18(16)26/h3-11H,2,12H2,1H3,(H3,27,28)(H,30,33)(H,29,31,34)
SMILES: N=C(N)c1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
SELFIES: [N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][Branch1][C][F][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C22H17ClFN5O5/c23-12-2-6-18(27-9-12)29-22(33)15-8-13(34-10-19(30)31)3-5-17(15)28-21(32)14-4-1-11(20(25)26)7-16(14)24/h1-9H,10H2,(H3,25,26)(H,28,32)(H,30,31)(H,27,29,33)
SMILES: CCOC(=O)COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=N][N][Branch1][C][C][C][C][=C][Ring1][O][F][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C26H25ClFN5O5/c1-4-37-23(34)14-38-17-7-9-21(19(12-17)26(36)32-22-10-6-16(27)13-30-22)31-25(35)18-8-5-15(11-20(18)28)24(29)33(2)3/h5-13,29H,4,14H2,1-3H3,(H,31,35)(H,30,32,36)
SMILES: CN(C)C(=N)c1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
SELFIES: [C][N][Branch1][C][C][C][=Branch1][C][=N][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][Branch1][C][F][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C24H21ClFN5O5/c1-31(2)22(27)13-3-6-16(18(26)9-13)23(34)29-19-7-5-15(36-12-21(32)33)10-17(19)24(35)30-20-8-4-14(25)11-28-20/h3-11,27H,12H2,1-2H3,(H,29,34)(H,32,33)(H,28,30,35)
SMILES: CCOC(=O)COc1ccc(NC(=O)c2ccc(C(=N)N3CCC3)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][=Branch1][C][=N][N][C][C][C][Ring1][Ring2][C][=C][Ring1][N][F][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][S]
InChI: InChI=1S/C27H25ClFN5O5/c1-2-38-24(35)15-39-18-6-8-22(20(13-18)27(37)33-23-9-5-17(28)14-31-23)32-26(36)19-7-4-16(12-21(19)29)25(30)34-10-3-11-34/h4-9,12-14,30H,2-3,10-11,15H2,1H3,(H,32,36)(H,31,33,37)
SMILES: N=C(c1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCC1
SELFIES: [N][=C][Branch2][Branch1][=Branch1][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][Branch1][C][F][=C][Ring2][Ring1][#C][N][C][C][C][Ring1][Ring2]
InChI: InChI=1S/C25H21ClFN5O5/c26-15-3-7-21(29-12-15)31-25(36)18-11-16(37-13-22(33)34)4-6-20(18)30-24(35)17-5-2-14(10-19(17)27)23(28)32-8-1-9-32/h2-7,10-12,28H,1,8-9,13H2,(H,30,35)(H,33,34)(H,29,31,36)
SMILES: CCOC(=O)COc1ccc(NC(=O)c2ccc(C(=N)N3CCCC3)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=Branch1][C][=N][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=N][F][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][P]
InChI: InChI=1S/C28H27ClFN5O5/c1-2-39-25(36)16-40-19-7-9-23(21(14-19)28(38)34-24-10-6-18(29)15-32-24)33-27(37)20-8-5-17(13-22(20)30)26(31)35-11-3-4-12-35/h5-10,13-15,31H,2-4,11-12,16H2,1H3,(H,33,37)(H,32,34,38)
SMILES: N=C(c1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCC1
SELFIES: [N][=C][Branch2][Branch1][=Branch1][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][Branch1][C][F][=C][Ring2][Ring1][#C][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C26H23ClFN5O5/c27-16-4-8-22(30-13-16)32-26(37)19-12-17(38-14-23(34)35)5-7-21(19)31-25(36)18-6-3-15(11-20(18)28)24(29)33-9-1-2-10-33/h3-8,11-13,29H,1-2,9-10,14H2,(H,31,36)(H,34,35)(H,30,32,37)
SMILES: CCOC(=O)COc1ccc(NC(=O)c2ccc(C(=N)N3CCCCC3)cc2F)c(C(=O)Nc2ccc(Cl)cn2)c1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=N][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=C][F][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring2][C]
InChI: InChI=1S/C29H29ClFN5O5/c1-2-40-26(37)17-41-20-8-10-24(22(15-20)29(39)35-25-11-7-19(30)16-33-25)34-28(38)21-9-6-18(14-23(21)31)27(32)36-12-4-3-5-13-36/h6-11,14-16,32H,2-5,12-13,17H2,1H3,(H,34,38)(H,33,35,39)
SMILES: N=C(c1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1
SELFIES: [N][=C][Branch2][Branch1][=Branch1][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][Branch1][C][F][=C][Ring2][Ring1][#C][N][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C27H25ClFN5O5/c28-17-5-9-23(31-14-17)33-27(38)20-13-18(39-15-24(35)36)6-8-22(20)32-26(37)19-7-4-16(12-21(19)29)25(30)34-10-2-1-3-11-34/h4-9,12-14,30H,1-3,10-11,15H2,(H,32,37)(H,35,36)(H,31,33,38)
SMILES: Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1
SELFIES: [N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1]
InChI: InChI=1S/C12H9BrClN3O/c13-7-1-4-11(16-6-7)17-12(18)9-5-8(14)2-3-10(9)15/h1-6H,15H2,(H,16,17,18)
SMILES: N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Br)cn2)cc1
SELFIES: [N][#C][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C20H12BrClN4O2/c21-14-5-8-18(24-11-14)26-20(28)16-9-15(22)6-7-17(16)25-19(27)13-3-1-12(10-23)2-4-13/h1-9,11H,(H,25,27)(H,24,26,28)
SMILES: Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1
SELFIES: [N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1]
InChI: InChI=1S/C12H9Cl2N3O/c13-7-1-3-10(15)9(5-7)12(18)17-11-4-2-8(14)6-16-11/h1-6H,15H2,(H,16,17,18)
SMILES: N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
SELFIES: [N][#C][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][Branch1][C][F][=C][Ring2][Ring1][O]
InChI: InChI=1S/C20H11Cl2FN4O2/c21-12-2-5-17(26-19(28)14-4-1-11(9-24)7-16(14)23)15(8-12)20(29)27-18-6-3-13(22)10-25-18/h1-8,10H,(H,26,28)(H,25,27,29)
SMILES: CN(C)C(=N)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [C][N][Branch1][C][C][C][=Branch1][C][=N][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][N]
InChI: InChI=1S/C22H19ClN6O4/c1-28(2)20(24)13-3-5-14(6-4-13)21(30)26-18-11-16(29(32)33)8-9-17(18)22(31)27-19-10-7-15(23)12-25-19/h3-12,24H,1-2H3,(H,26,30)(H,25,27,31)
SMILES: NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2cc(F)c(F)cc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][O]
InChI: InChI=1S/C25H17ClF2N4O4S/c26-16-9-10-23(30-13-16)32-25(34)18-11-19(27)20(28)12-21(18)31-24(33)15-7-5-14(6-8-15)17-3-1-2-4-22(17)37(29,35)36/h1-13H,(H,31,33)(H2,29,35,36)(H,30,32,34)
SMILES: N=C(c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)cc1)N1CCCC1
SELFIES: [N][=C][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C25H23FN4O2/c26-19-11-13-20(14-12-19)28-25(32)21-5-1-2-6-22(21)29-24(31)18-9-7-17(8-10-18)23(27)30-15-3-4-16-30/h1-2,5-14,27H,3-4,15-16H2,(H,28,32)(H,29,31)
SMILES: CN(C)C(=N)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)cc1
SELFIES: [C][N][Branch1][C][C][C][=Branch1][C][=N][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C23H21FN4O2/c1-28(2)21(25)15-7-9-16(10-8-15)22(29)27-20-6-4-3-5-19(20)23(30)26-18-13-11-17(24)12-14-18/h3-14,25H,1-2H3,(H,26,30)(H,27,29)
SMILES: N=C(c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)cc1)N1CCCCC1
SELFIES: [N][=C][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C26H25FN4O2/c27-20-12-14-21(15-13-20)29-26(33)22-6-2-3-7-23(22)30-25(32)19-10-8-18(9-11-19)24(28)31-16-4-1-5-17-31/h2-3,6-15,28H,1,4-5,16-17H2,(H,29,33)(H,30,32)
SMILES: CNC(=N)c1ccc(C(=O)Nc2c(O)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [C][N][C][=Branch1][C][=N][C][=C][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][=C][Branch1][C][O][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][O]
InChI: InChI=1S/C21H17Cl2N5O3/c1-25-19(24)11-2-4-12(5-3-11)20(30)28-18-15(8-14(23)9-16(18)29)21(31)27-17-7-6-13(22)10-26-17/h2-10,29H,1H3,(H2,24,25)(H,28,30)(H,26,27,31)
SMILES: N=C(c1ccc(CNc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1
SELFIES: [N][=C][Branch2][Ring2][#Branch2][C][=C][C][=C][Branch2][Ring1][=C][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C24H23Cl2N5O/c25-18-7-9-21(20(13-18)24(32)30-22-10-8-19(26)15-29-22)28-14-16-3-5-17(6-4-16)23(27)31-11-1-2-12-31/h3-10,13,15,27-28H,1-2,11-12,14H2,(H,29,30,32)
SMILES: N=C(c1ccc(NCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1
SELFIES: [N][=C][Branch2][Ring2][#Branch1][C][=C][C][=C][Branch2][Ring1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C24H24ClN5O/c25-19-9-12-22(28-16-19)29-24(31)21-6-2-1-5-18(21)15-27-20-10-7-17(8-11-20)23(26)30-13-3-4-14-30/h1-2,5-12,16,26-27H,3-4,13-15H2,(H,28,29,31)
SMILES: CN1CCN=C1c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [C][N][C][C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C21H18ClN5O2S/c1-27-10-9-23-19(27)13-2-4-14(5-3-13)20(28)25-16-8-11-30-18(16)21(29)26-17-7-6-15(22)12-24-17/h2-8,11-12H,9-10H2,1H3,(H,25,28)(H,24,26,29)
SMILES: CN(C)C(=N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [C][N][Branch1][C][C][C][=Branch1][C][=N][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C20H18ClN5O2S/c1-26(2)18(22)12-3-5-13(6-4-12)19(27)24-15-9-10-29-17(15)20(28)25-16-8-7-14(21)11-23-16/h3-11,22H,1-2H3,(H,24,27)(H,23,25,28)
SMILES: N=C(N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C18H14ClN5O2S/c19-12-5-6-14(22-9-12)24-18(26)15-13(7-8-27-15)23-17(25)11-3-1-10(2-4-11)16(20)21/h1-9H,(H3,20,21)(H,23,25)(H,22,24,26)
SMILES: N=C(c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1
SELFIES: [N][=C][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2][N][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C23H22ClN5O2S/c24-17-8-9-19(26-14-17)28-23(31)20-18(10-13-32-20)27-22(30)16-6-4-15(5-7-16)21(25)29-11-2-1-3-12-29/h4-10,13-14,25H,1-3,11-12H2,(H,27,30)(H,26,28,31)
SMILES: N=C(c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1
SELFIES: [N][=C][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C22H20ClN5O2S/c23-16-7-8-18(25-13-16)27-22(30)19-17(9-12-31-19)26-21(29)15-5-3-14(4-6-15)20(24)28-10-1-2-11-28/h3-9,12-13,24H,1-2,10-11H2,(H,26,29)(H,25,27,30)
SMILES: N=C(c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCOCC1
SELFIES: [N][=C][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2][N][C][C][O][C][C][Ring1][=Branch1]
InChI: InChI=1S/C22H20ClN5O3S/c23-16-5-6-18(25-13-16)27-22(30)19-17(7-12-32-19)26-21(29)15-3-1-14(2-4-15)20(24)28-8-10-31-11-9-28/h1-7,12-13,24H,8-11H2,(H,26,29)(H,25,27,30)
SMILES: N=C(c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCSCC1
SELFIES: [N][=C][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2][N][C][C][S][C][C][Ring1][=Branch1]
InChI: InChI=1S/C22H20ClN5O2S2/c23-16-5-6-18(25-13-16)27-22(30)19-17(7-10-32-19)26-21(29)15-3-1-14(2-4-15)20(24)28-8-11-31-12-9-28/h1-7,10,13,24H,8-9,11-12H2,(H,26,29)(H,25,27,30)
SMILES: N=C(c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCCC1
SELFIES: [N][=C][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2][N][C][C][C][C][C][C][Ring1][#Branch1]
InChI: InChI=1S/C24H24ClN5O2S/c25-18-9-10-20(27-15-18)29-24(32)21-19(11-14-33-21)28-23(31)17-7-5-16(6-8-17)22(26)30-12-3-1-2-4-13-30/h5-11,14-15,26H,1-4,12-13H2,(H,28,31)(H,27,29,32)
SMILES: CC1CCCN1C(=N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [C][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=N][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C23H22ClN5O2S/c1-14-3-2-11-29(14)21(25)15-4-6-16(7-5-15)22(30)27-18-10-12-32-20(18)23(31)28-19-9-8-17(24)13-26-19/h4-10,12-14,25H,2-3,11H2,1H3,(H,27,30)(H,26,28,31)
SMILES: CNC(=N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [C][N][C][=Branch1][C][=N][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C19H16ClN5O2S/c1-22-17(21)11-2-4-12(5-3-11)18(26)24-14-8-9-28-16(14)19(27)25-15-7-6-13(20)10-23-15/h2-10H,1H3,(H2,21,22)(H,24,26)(H,23,25,27)
SMILES: CN1CCCN=C1c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [C][N][C][C][C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C22H20ClN5O2S/c1-28-11-2-10-24-20(28)14-3-5-15(6-4-14)21(29)26-17-9-12-31-19(17)22(30)27-18-8-7-16(23)13-25-18/h3-9,12-13H,2,10-11H2,1H3,(H,26,29)(H,25,27,30)
SMILES: N=C(NO)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [N][=C][Branch1][Ring1][N][O][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C18H14ClN5O3S/c19-12-5-6-14(21-9-12)23-18(26)15-13(7-8-28-15)22-17(25)11-3-1-10(2-4-11)16(20)24-27/h1-9,27H,(H2,20,24)(H,22,25)(H,21,23,26)
SMILES: CN1CCN=C1c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Br)cn2)cc1
SELFIES: [C][N][C][C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C21H18BrN5O2S/c1-27-10-9-23-19(27)13-2-4-14(5-3-13)20(28)25-16-8-11-30-18(16)21(29)26-17-7-6-15(22)12-24-17/h2-8,11-12H,9-10H2,1H3,(H,25,28)(H,24,26,29)
SMILES: N=C(N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Br)cn2)cc1
SELFIES: [N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C18H14BrN5O2S/c19-12-5-6-14(22-9-12)24-18(26)15-13(7-8-27-15)23-17(25)11-3-1-10(2-4-11)16(20)21/h1-9H,(H3,20,21)(H,23,25)(H,22,24,26)
SMILES: N=C(c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCC1
SELFIES: [N][=C][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C22H20BrN5O2S/c23-16-7-8-18(25-13-16)27-22(30)19-17(9-12-31-19)26-21(29)15-5-3-14(4-6-15)20(24)28-10-1-2-11-28/h3-9,12-13,24H,1-2,10-11H2,(H,26,29)(H,25,27,30)
SMILES: N=C(c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCCCC1
SELFIES: [N][=C][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2][N][C][C][C][C][C][Ring1][=Branch1]
InChI: InChI=1S/C23H22BrN5O2S/c24-17-8-9-19(26-14-17)28-23(31)20-18(10-13-32-20)27-22(30)16-6-4-15(5-7-16)21(25)29-11-2-1-3-12-29/h4-10,13-14,25H,1-3,11-12H2,(H,27,30)(H,26,28,31)
SMILES: N=C(c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCOCC1
SELFIES: [N][=C][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2][N][C][C][O][C][C][Ring1][=Branch1]
InChI: InChI=1S/C22H20BrN5O3S/c23-16-5-6-18(25-13-16)27-22(30)19-17(7-12-32-19)26-21(29)15-3-1-14(2-4-15)20(24)28-8-10-31-11-9-28/h1-7,12-13,24H,8-11H2,(H,26,29)(H,25,27,30)
SMILES: N=C(c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Br)cn2)cc1)N1CCSCC1
SELFIES: [N][=C][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2][N][C][C][S][C][C][Ring1][=Branch1]
InChI: InChI=1S/C22H20BrN5O2S2/c23-16-5-6-18(25-13-16)27-22(30)19-17(7-10-32-19)26-21(29)15-3-1-14(2-4-15)20(24)28-8-11-31-12-9-28/h1-7,10,13,24H,8-9,11-12H2,(H,26,29)(H,25,27,30)
SMILES: N=C(c1ccc(C(=O)Nc2sccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1
SELFIES: [N][=C][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2][N][C][C][C][C][Ring1][Branch1]
InChI: InChI=1S/C22H20ClN5O2S/c23-16-7-8-18(25-13-16)26-21(30)17-9-12-31-22(17)27-20(29)15-5-3-14(4-6-15)19(24)28-10-1-2-11-28/h3-9,12-13,24H,1-2,10-11H2,(H,27,29)(H,25,26,30)
SMILES: CN1CCN=C1c1ccc(C(=O)Nc2sccc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [C][N][C][C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C21H18ClN5O2S/c1-27-10-9-23-18(27)13-2-4-14(5-3-13)19(28)26-21-16(8-11-30-21)20(29)25-17-7-6-15(22)12-24-17/h2-8,11-12H,9-10H2,1H3,(H,26,28)(H,24,25,29)
SMILES: NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1
SELFIES: [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C23H17ClN4O4S2/c24-16-9-10-20(26-13-16)28-23(30)21-18(11-12-33-21)27-22(29)15-7-5-14(6-8-15)17-3-1-2-4-19(17)34(25,31)32/h1-13H,(H,27,29)(H2,25,31,32)(H,26,28,30)
SMILES: NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Br)cn2)cc1
SELFIES: [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C23H17BrN4O4S2/c24-16-9-10-20(26-13-16)28-23(30)21-18(11-12-33-21)27-22(29)15-7-5-14(6-8-15)17-3-1-2-4-19(17)34(25,31)32/h1-13H,(H,27,29)(H2,25,31,32)(H,26,28,30)