EdisonScientific/glyph-datasets huggingface dataset:
SMILES: O=C1c2ccccc2C(=O)N1CCCc1nc(-c2ccccc2)[nH]c1-c1ccc(C(F)(F)F)cc1
SELFIES: [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]
InChI: InChI=1S/C27H20F3N3O2/c28-27(29,30)19-14-12-17(13-15-19)23-22(31-24(32-23)18-7-2-1-3-8-18)11-6-16-33-25(34)20-9-4-5-10-21(20)26(33)35/h1-5,7-10,12-15H,6,11,16H2,(H,31,32)
SMILES: O=C1c2ccccc2C(=O)N1CCCc1nc(-c2ccccc2)[nH]c1-c1ccc(Cl)cc1
SELFIES: [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C26H20ClN3O2/c27-19-14-12-17(13-15-19)23-22(28-24(29-23)18-7-2-1-3-8-18)11-6-16-30-25(31)20-9-4-5-10-21(20)26(30)32/h1-5,7-10,12-15H,6,11,16H2,(H,28,29)
SMILES: COc1ccc(-c2[nH]c(-c3cccs3)nc2CCCN2C(=O)c3ccccc3C2=O)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][NH1][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=Ring1][#Branch2][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H21N3O3S/c1-31-17-12-10-16(11-13-17)22-20(26-23(27-22)21-9-5-15-32-21)8-4-14-28-24(29)18-6-2-3-7-19(18)25(28)30/h2-3,5-7,9-13,15H,4,8,14H2,1H3,(H,26,27)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCCN)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][C][N][C][=C][Ring2][Ring1][Branch1]
InChI: InChI=1S/C19H21N3O/c1-23-16-11-9-14(10-12-16)18-17(8-5-13-20)21-19(22-18)15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13,20H2,1H3,(H,21,22)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCCc2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C30H35N3O3S/c1-3-4-6-10-23-14-20-27(21-15-23)37(34,35)31-22-9-13-28-29(24-16-18-26(36-2)19-17-24)33-30(32-28)25-11-7-5-8-12-25/h5,7-8,11-12,14-21,31H,3-4,6,9-10,13,22H2,1-2H3,(H,32,33)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCCc2nc(-c3ccc(C)cc3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][NH1][C][=Ring1][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][P]
InChI: InChI=1S/C31H37N3O3S/c1-4-5-6-8-24-12-20-28(21-13-24)38(35,36)32-22-7-9-29-30(25-16-18-27(37-3)19-17-25)34-31(33-29)26-14-10-23(2)11-15-26/h10-21,32H,4-9,22H2,1-3H3,(H,33,34)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCCc2nc(-c3ccccc3)[nH]c2-c2ccccc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C29H33N3O2S/c1-2-3-6-12-23-18-20-26(21-19-23)35(33,34)30-22-11-17-27-28(24-13-7-4-8-14-24)32-29(31-27)25-15-9-5-10-16-25/h4-5,7-10,13-16,18-21,30H,2-3,6,11-12,17,22H2,1H3,(H,31,32)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCCc2nc(-c3ccccc3)[nH]c2-c2ccc(C(F)(F)F)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring2][C]
InChI: InChI=1S/C30H32F3N3O2S/c1-2-3-5-9-22-13-19-26(20-14-22)39(37,38)34-21-8-12-27-28(23-15-17-25(18-16-23)30(31,32)33)36-29(35-27)24-10-6-4-7-11-24/h4,6-7,10-11,13-20,34H,2-3,5,8-9,12,21H2,1H3,(H,35,36)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCCc2nc(-c3ccccc3)[nH]c2-c2ccc(Cl)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C29H32ClN3O2S/c1-2-3-5-9-22-13-19-26(20-14-22)36(34,35)31-21-8-12-27-28(23-15-17-25(30)18-16-23)33-29(32-27)24-10-6-4-7-11-24/h4,6-7,10-11,13-20,31H,2-3,5,8-9,12,21H2,1H3,(H,32,33)
SMILES: CCCCCc1ccc(S(=O)(=O)NCCCc2nc(-c3cccs3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][NH1][C][=Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][#C]
InChI: InChI=1S/C28H33N3O3S2/c1-3-4-5-8-21-11-17-24(18-12-21)36(32,33)29-19-6-9-25-27(22-13-15-23(34-2)16-14-22)31-28(30-25)26-10-7-20-35-26/h7,10-18,20,29H,3-6,8-9,19H2,1-2H3,(H,30,31)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][=N][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring2][C]
InChI: InChI=1S/C27H28N4O4S/c1-19(32)29-22-12-16-24(17-13-22)36(33,34)28-18-6-9-25-26(20-10-14-23(35-2)15-11-20)31-27(30-25)21-7-4-3-5-8-21/h3-5,7-8,10-17,28H,6,9,18H2,1-2H3,(H,29,32)(H,30,31)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCCNS(=O)(=O)c2ccc(C(=O)O)cc2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][N][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][P]
InChI: InChI=1S/C26H25N3O5S/c1-34-21-13-9-18(10-14-21)24-23(28-25(29-24)19-6-3-2-4-7-19)8-5-17-27-35(32,33)22-15-11-20(12-16-22)26(30)31/h2-4,6-7,9-16,27H,5,8,17H2,1H3,(H,28,29)(H,30,31)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCCNS(=O)(=O)c2ccc(C(C)C)cc2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][N][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][P]
InChI: InChI=1S/C28H31N3O3S/c1-20(2)21-13-17-25(18-14-21)35(32,33)29-19-7-10-26-27(22-11-15-24(34-3)16-12-22)31-28(30-26)23-8-5-4-6-9-23/h4-6,8-9,11-18,20,29H,7,10,19H2,1-3H3,(H,30,31)
SMILES: CCCc1ccc(S(=O)(=O)NCCCc2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1
SELFIES: [C][C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][S]
InChI: InChI=1S/C28H31N3O3S/c1-3-8-21-12-18-25(19-13-21)35(32,33)29-20-7-11-26-27(22-14-16-24(34-2)17-15-22)31-28(30-26)23-9-5-4-6-10-23/h4-6,9-10,12-19,29H,3,7-8,11,20H2,1-2H3,(H,30,31)
SMILES: O=Cc1ccc(S(=O)(=O)NCCCc2nc(-c3ccccc3)[nH]c2-c2ccccc2)cc1
SELFIES: [O][=C][C][=C][C][=C][Branch2][Ring2][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C25H23N3O3S/c29-18-19-13-15-22(16-14-19)32(30,31)26-17-7-12-23-24(20-8-3-1-4-9-20)28-25(27-23)21-10-5-2-6-11-21/h1-6,8-11,13-16,18,26H,7,12,17H2,(H,27,28)
SMILES: COc1ccc(-c2[nH]c(-c3ccccc3)nc2CCCNS(=O)(=O)c2ccc(CNCCN(C)C)cc2)cc1
SELFIES: [C][O][C][=C][C][=C][Branch2][Ring2][S][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][N][Branch1][C][C][C][C][=C][Ring1][=N][C][=C][Ring2][Ring2][Branch1]
InChI: InChI=1S/C30H37N5O3S/c1-35(2)21-20-31-22-23-11-17-27(18-12-23)39(36,37)32-19-7-10-28-29(24-13-15-26(38-3)16-14-24)34-30(33-28)25-8-5-4-6-9-25/h4-6,8-9,11-18,31-32H,7,10,19-22H2,1-3H3,(H,33,34)
SMILES: CCCCC(O)c1ccc(S(=O)(=O)NCCCc2nc(-c3ccccc3)[nH]c2-c2ccccc2)cc1
SELFIES: [C][C][C][C][C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C29H33N3O3S/c1-2-3-16-27(33)22-17-19-25(20-18-22)36(34,35)30-21-10-15-26-28(23-11-6-4-7-12-23)32-29(31-26)24-13-8-5-9-14-24/h4-9,11-14,17-20,27,30,33H,2-3,10,15-16,21H2,1H3,(H,31,32)
SMILES: CCCC(O)c1ccc(S(=O)(=O)NCCCc2nc(-c3ccccc3)[nH]c2-c2ccccc2)cc1
SELFIES: [C][C][C][C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C28H31N3O3S/c1-2-10-26(32)21-16-18-24(19-17-21)35(33,34)29-20-9-15-25-27(22-11-5-3-6-12-22)31-28(30-25)23-13-7-4-8-14-23/h3-8,11-14,16-19,26,29,32H,2,9-10,15,20H2,1H3,(H,30,31)
SMILES: CCC(O)c1ccc(S(=O)(=O)NCCCc2nc(-c3ccccc3)[nH]c2-c2ccccc2)cc1
SELFIES: [C][C][C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=C]
InChI: InChI=1S/C27H29N3O3S/c1-2-25(31)20-15-17-23(18-16-20)34(32,33)28-19-9-14-24-26(21-10-5-3-6-11-21)30-27(29-24)22-12-7-4-8-13-22/h3-8,10-13,15-18,25,28,31H,2,9,14,19H2,1H3,(H,29,30)
SMILES: Cc1cscc1Nc1nc2cc(F)ccc2[nH]1
SELFIES: [C][C][=C][S][C][=C][Ring1][Branch1][N][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2]
InChI: InChI=1S/C12H10FN3S/c1-7-5-17-6-11(7)16-12-14-9-3-2-8(13)4-10(9)15-12/h2-6H,1H3,(H2,14,15,16)
SMILES: Cc1cscc1Nc1nc2cc(Cl)c(Cl)cc2[nH]1
SELFIES: [C][C][=C][S][C][=C][Ring1][Branch1][N][C][=N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][NH1][Ring1][O]
InChI: InChI=1S/C12H9Cl2N3S/c1-6-4-18-5-11(6)17-12-15-9-2-7(13)8(14)3-10(9)16-12/h2-5H,1H3,(H2,15,16,17)
SMILES: Cc1cscc1Nc1nc2ccccc2[nH]1
SELFIES: [C][C][=C][S][C][=C][Ring1][Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
InChI: InChI=1S/C12H11N3S/c1-8-6-16-7-11(8)15-12-13-9-4-2-3-5-10(9)14-12/h2-7H,1H3,(H2,13,14,15)
SMILES: Cc1cscc1Nc1nc2c(F)cccc2[nH]1
SELFIES: [C][C][=C][S][C][=C][Ring1][Branch1][N][C][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2]
InChI: InChI=1S/C12H10FN3S/c1-7-5-17-6-10(7)15-12-14-9-4-2-3-8(13)11(9)16-12/h2-6H,1H3,(H2,14,15,16)
SMILES: Cc1cscc1Nc1nc2c(F)cc(F)cc2[nH]1
SELFIES: [C][C][=C][S][C][=C][Ring1][Branch1][N][C][=N][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][NH1][Ring1][O]
InChI: InChI=1S/C12H9F2N3S/c1-6-4-18-5-10(6)16-12-15-9-3-7(13)2-8(14)11(9)17-12/h2-5H,1H3,(H2,15,16,17)
SMILES: Cc1cscc1Nc1nc2c(F)c(F)c(F)c(F)c2[nH]1
SELFIES: [C][C][=C][S][C][=C][Ring1][Branch1][N][C][=N][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][NH1][Ring1][=N]
InChI: InChI=1S/C12H7F4N3S/c1-4-2-20-3-5(4)17-12-18-10-8(15)6(13)7(14)9(16)11(10)19-12/h2-3H,1H3,(H2,17,18,19)
SMILES: Cc1cscc1Nc1nc2c(C)cccc2[nH]1
SELFIES: [C][C][=C][S][C][=C][Ring1][Branch1][N][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2]
InChI: InChI=1S/C13H13N3S/c1-8-4-3-5-10-12(8)16-13(14-10)15-11-7-17-6-9(11)2/h3-7H,1-2H3,(H2,14,15,16)
SMILES: Cc1cscc1NC1=NC2CCCCC2N1
SELFIES: [C][C][=C][S][C][=C][Ring1][Branch1][N][C][=N][C][C][C][C][C][C][Ring1][=Branch1][N][Ring1][=Branch2]
InChI: InChI=1S/C12H17N3S/c1-8-6-16-7-11(8)15-12-13-9-4-2-3-5-10(9)14-12/h6-7,9-10H,2-5H2,1H3,(H2,13,14,15)
SMILES: Cc1cscc1NC1=N[C@@H]2CCCCC2N1
SELFIES: [C][C][=C][S][C][=C][Ring1][Branch1][N][C][=N][C@@H1][C][C][C][C][C][Ring1][=Branch1][N][Ring1][=Branch2]
InChI: InChI=1S/C12H17N3S/c1-8-6-16-7-11(8)15-12-13-9-4-2-3-5-10(9)14-12/h6-7,9-10H,2-5H2,1H3,(H2,13,14,15)/t9-,10?/m1/s1
SMILES: Cc1cscc1NC1=NC2CCCC[C@@H]2N1
SELFIES: [C][C][=C][S][C][=C][Ring1][Branch1][N][C][=N][C][C][C][C][C][C@@H1][Ring1][=Branch1][N][Ring1][=Branch2]
InChI: InChI=1S/C12H17N3S/c1-8-6-16-7-11(8)15-12-13-9-4-2-3-5-10(9)14-12/h6-7,9-10H,2-5H2,1H3,(H2,13,14,15)/t9-,10?/m0/s1
SMILES: Cc1csc(Cl)c1Nc1nc2c(C)cccc2[nH]1
SELFIES: [C][C][=C][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][N][C][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2]
InChI: InChI=1S/C13H12ClN3S/c1-7-4-3-5-9-10(7)16-13(15-9)17-11-8(2)6-18-12(11)14/h3-6H,1-2H3,(H2,15,16,17)
SMILES: Cc1csc(Cl)c1Nc1nc2c(F)c(F)c(F)c(F)c2[nH]1
SELFIES: [C][C][=C][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][N][C][=N][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][#Branch2][NH1][Ring1][=N]
InChI: InChI=1S/C12H6ClF4N3S/c1-3-2-21-11(13)8(3)18-12-19-9-6(16)4(14)5(15)7(17)10(9)20-12/h2H,1H3,(H2,18,19,20)
SMILES: Cc1csc(Cl)c1NC1=NC2CCCCC2N1
SELFIES: [C][C][=C][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][N][C][=N][C][C][C][C][C][C][Ring1][=Branch1][N][Ring1][=Branch2]
InChI: InChI=1S/C12H16ClN3S/c1-7-6-17-11(13)10(7)16-12-14-8-4-2-3-5-9(8)15-12/h6,8-9H,2-5H2,1H3,(H2,14,15,16)
SMILES: Cc1csc(Cl)c1NC1=NC2CCCC[C@@H]2N1
SELFIES: [C][C][=C][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][N][C][=N][C][C][C][C][C][C@@H1][Ring1][=Branch1][N][Ring1][=Branch2]
InChI: InChI=1S/C12H16ClN3S/c1-7-6-17-11(13)10(7)16-12-14-8-4-2-3-5-9(8)15-12/h6,8-9H,2-5H2,1H3,(H2,14,15,16)/t8-,9?/m0/s1
SMILES: Cc1cscc1Nc1nc2c(Cl)cccc2[nH]1
SELFIES: [C][C][=C][S][C][=C][Ring1][Branch1][N][C][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2]
InChI: InChI=1S/C12H10ClN3S/c1-7-5-17-6-10(7)15-12-14-9-4-2-3-8(13)11(9)16-12/h2-6H,1H3,(H2,14,15,16)
SMILES: Cc1csc(Cl)c1Nc1nc2c(Cl)cccc2[nH]1
SELFIES: [C][C][=C][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][N][C][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2]
InChI: InChI=1S/C12H9Cl2N3S/c1-6-5-18-11(14)9(6)16-12-15-8-4-2-3-7(13)10(8)17-12/h2-5H,1H3,(H2,15,16,17)
SMILES: Cc1csc(Br)c1Nc1nc2c(Cl)cccc2[nH]1
SELFIES: [C][C][=C][S][C][Branch1][C][Br][=C][Ring1][=Branch1][N][C][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2]
InChI: InChI=1S/C12H9BrClN3S/c1-6-5-18-11(13)9(6)16-12-15-8-4-2-3-7(14)10(8)17-12/h2-5H,1H3,(H2,15,16,17)
SMILES: Cc1csc(Br)c1Nc1nc2cc(F)ccc2[nH]1
SELFIES: [C][C][=C][S][C][Branch1][C][Br][=C][Ring1][=Branch1][N][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2]
InChI: InChI=1S/C12H9BrFN3S/c1-6-5-18-11(13)10(6)17-12-15-8-3-2-7(14)4-9(8)16-12/h2-5H,1H3,(H2,15,16,17)
SMILES: COc1ccc2[nH]c(Nc3c(C)csc3Cl)nc2c1
SELFIES: [C][O][C][=C][C][=C][NH1][C][Branch1][=N][N][C][C][Branch1][C][C][=C][S][C][=Ring1][=Branch1][Cl][=N][C][Ring1][=N][=C][Ring1][P]
InChI: InChI=1S/C13H12ClN3OS/c1-7-6-19-12(14)11(7)17-13-15-9-4-3-8(18-2)5-10(9)16-13/h3-6H,1-2H3,(H2,15,16,17)
SMILES: COc1ccc2[nH]c(Nc3c(Cl)sc(Cl)c3C)nc2c1
SELFIES: [C][O][C][=C][C][=C][NH1][C][Branch1][S][N][C][=C][Branch1][C][Cl][S][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=N][C][Ring1][=C][=C][Ring2][Ring1][C]
InChI: InChI=1S/C13H11Cl2N3OS/c1-6-10(12(15)20-11(6)14)18-13-16-8-4-3-7(19-2)5-9(8)17-13/h3-5H,1-2H3,(H2,16,17,18)
SMILES: COc1cccc2[nH]c(Nc3cscc3C)nc12
SELFIES: [C][O][C][=C][C][=C][C][NH1][C][Branch1][#Branch2][N][C][=C][S][C][=C][Ring1][Branch1][C][=N][C][Ring1][S][=Ring1][N]
InChI: InChI=1S/C13H13N3OS/c1-8-6-18-7-10(8)15-13-14-9-4-3-5-11(17-2)12(9)16-13/h3-7H,1-2H3,(H2,14,15,16)
SMILES: COc1cccc2[nH]c(Nc3c(C)csc3Cl)nc12
SELFIES: [C][O][C][=C][C][=C][C][NH1][C][Branch1][=N][N][C][C][Branch1][C][C][=C][S][C][=Ring1][=Branch1][Cl][=N][C][Ring1][P][=Ring1][=N]
InChI: InChI=1S/C13H12ClN3OS/c1-7-6-19-12(14)10(7)16-13-15-8-4-3-5-9(18-2)11(8)17-13/h3-6H,1-2H3,(H2,15,16,17)
SMILES: Cc1cscc1Nc1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1
SELFIES: [C][C][=C][S][C][=C][Ring1][Branch1][N][C][=N][C][=C][Branch1][C][Cl][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][NH1][Ring1][=C]
InChI: InChI=1S/C13H9ClF3N3S/c1-6-4-21-5-10(6)19-12-18-9-3-7(13(15,16)17)2-8(14)11(9)20-12/h2-5H,1H3,(H2,18,19,20)
SMILES: Cc1csc(Cl)c1Nc1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1
SELFIES: [C][C][=C][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][N][C][=N][C][=C][Branch1][C][Cl][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][NH1][Ring1][=C]
InChI: InChI=1S/C13H8Cl2F3N3S/c1-5-4-22-11(15)9(5)20-12-19-8-3-6(13(16,17)18)2-7(14)10(8)21-12/h2-4H,1H3,(H2,19,20,21)
SMILES: Cc1cscc1Nc1nc2c(C(=O)O)cccc2[nH]1
SELFIES: [C][C][=C][S][C][=C][Ring1][Branch1][N][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][=Branch2][NH1][Ring1][N]
InChI: InChI=1S/C13H11N3O2S/c1-7-5-19-6-10(7)15-13-14-9-4-2-3-8(12(17)18)11(9)16-13/h2-6H,1H3,(H,17,18)(H2,14,15,16)
SMILES: Cc1csc(Cl)c1Nc1nc2c(C(=O)O)cccc2[nH]1
SELFIES: [C][C][=C][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][N][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][=Branch2][NH1][Ring1][N]
InChI: InChI=1S/C13H10ClN3O2S/c1-6-5-20-11(14)9(6)16-13-15-8-4-2-3-7(12(18)19)10(8)17-13/h2-5H,1H3,(H,18,19)(H2,15,16,17)
SMILES: Cc1cscc1Nc1nc2c(C(=O)N3CCCCC3)cccc2[nH]1
SELFIES: [C][C][=C][S][C][=C][Ring1][Branch1][N][C][=N][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Ring1][=C][NH1][Ring1][P]
InChI: InChI=1S/C18H20N4OS/c1-12-10-24-11-15(12)20-18-19-14-7-5-6-13(16(14)21-18)17(23)22-8-3-2-4-9-22/h5-7,10-11H,2-4,8-9H2,1H3,(H2,19,20,21)
SMILES: Cc1csc(Cl)c1Nc1nc2c(C(=O)N3CCCCC3)cccc2[nH]1
SELFIES: [C][C][=C][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][N][C][=N][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Ring1][=C][NH1][Ring1][P]
InChI: InChI=1S/C18H19ClN4OS/c1-11-10-25-16(19)14(11)21-18-20-13-7-5-6-12(15(13)22-18)17(24)23-8-3-2-4-9-23/h5-7,10H,2-4,8-9H2,1H3,(H2,20,21,22)
SMILES: Cc1csc(Cl)c1Nc1nc2c(F)cccc2[nH]1
SELFIES: [C][C][=C][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][N][C][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2]
InChI: InChI=1S/C12H9ClFN3S/c1-6-5-18-11(13)9(6)16-12-15-8-4-2-3-7(14)10(8)17-12/h2-5H,1H3,(H2,15,16,17)
SMILES: Cc1csc(Cl)c1Nc1nc2c(O)cccc2[nH]1
SELFIES: [C][C][=C][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][N][C][=N][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2]
InChI: InChI=1S/C12H10ClN3OS/c1-6-5-18-11(13)9(6)15-12-14-7-3-2-4-8(17)10(7)16-12/h2-5,17H,1H3,(H2,14,15,16)
SMILES: Cc1csc(Cl)c1N(C)c1nc2ccccc2[nH]1
SELFIES: [C][C][=C][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][N][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
InChI: InChI=1S/C13H12ClN3S/c1-8-7-18-12(14)11(8)17(2)13-15-9-5-3-4-6-10(9)16-13/h3-7H,1-2H3,(H,15,16)
SMILES: Cc1csc(Cl)c1Nc1nc2cc(F)c(F)cc2[nH]1
SELFIES: [C][C][=C][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][N][C][=N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][NH1][Ring1][O]
InChI: InChI=1S/C12H8ClF2N3S/c1-5-4-19-11(13)10(5)18-12-16-8-2-6(14)7(15)3-9(8)17-12/h2-4H,1H3,(H2,16,17,18)
SMILES: Cc1csc(Br)c1Nc1nc2cc(F)c(F)cc2[nH]1
SELFIES: [C][C][=C][S][C][Branch1][C][Br][=C][Ring1][=Branch1][N][C][=N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][NH1][Ring1][O]
InChI: InChI=1S/C12H8BrF2N3S/c1-5-4-19-11(13)10(5)18-12-16-8-2-6(14)7(15)3-9(8)17-12/h2-4H,1H3,(H2,16,17,18)
SMILES: NC1CCCCC12OCCO2
SELFIES: [N][C][C][C][C][C][C][Ring1][=Branch1][O][C][C][O][Ring1][Branch1]
InChI: InChI=1S/C8H15NO2/c9-7-3-1-2-4-8(7)10-5-6-11-8/h7H,1-6,9H2
SMILES: Cc1cscc1NC(=S)NC1CCCCC12OCCO2
SELFIES: [C][C][=C][S][C][=C][Ring1][Branch1][N][C][=Branch1][C][=S][N][C][C][C][C][C][C][Ring1][=Branch1][O][C][C][O][Ring1][Branch1]
InChI: InChI=1S/C14H20N2O2S2/c1-10-8-20-9-11(10)15-13(19)16-12-4-2-3-5-14(12)17-6-7-18-14/h8-9,12H,2-7H2,1H3,(H2,15,16,19)
SMILES: Cc1cscc1/N=C(\N)NC1CCCCC12OCCO2
SELFIES: [C][C][=C][S][C][=C][Ring1][Branch1][/N][=C][Branch1][C][\N][N][C][C][C][C][C][C][Ring1][=Branch1][O][C][C][O][Ring1][Branch1]
InChI: InChI=1S/C14H21N3O2S/c1-10-8-20-9-11(10)16-13(15)17-12-4-2-3-5-14(12)18-6-7-19-14/h8-9,12H,2-7H2,1H3,(H3,15,16,17)
SMILES: Cc1csc(Cl)c1/N=C(\N)NC1CCCCC12OCCO2
SELFIES: [C][C][=C][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][/N][=C][Branch1][C][\N][N][C][C][C][C][C][C][Ring1][=Branch1][O][C][C][O][Ring1][Branch1]
InChI: InChI=1S/C14H20ClN3O2S/c1-9-8-21-12(15)11(9)18-13(16)17-10-4-2-3-5-14(10)19-6-7-20-14/h8,10H,2-7H2,1H3,(H3,16,17,18)
SMILES: Clc1csc(Cl)c1Nc1nc2ccccc2[nH]1
SELFIES: [Cl][C][=C][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
InChI: InChI=1S/C11H7Cl2N3S/c12-6-5-17-10(13)9(6)16-11-14-7-3-1-2-4-8(7)15-11/h1-5H,(H2,14,15,16)
SMILES: Clc1csc(Br)c1Nc1nc2ccccc2[nH]1
SELFIES: [Cl][C][=C][S][C][Branch1][C][Br][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]
InChI: InChI=1S/C11H7BrClN3S/c12-10-9(6(13)5-17-10)16-11-14-7-3-1-2-4-8(7)15-11/h1-5H,(H2,14,15,16)
SMILES: Nc1cc(F)ccc1NC(=S)Nc1cscc1Cl
SELFIES: [N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=S][N][C][=C][S][C][=C][Ring1][Branch1][Cl]
InChI: InChI=1S/C11H9ClFN3S2/c12-7-4-18-5-10(7)16-11(17)15-9-2-1-6(13)3-8(9)14/h1-5H,14H2,(H2,15,16,17)
SMILES: Fc1ccc2[nH]c(Nc3cscc3Cl)nc2c1
SELFIES: [F][C][=C][C][=C][NH1][C][Branch1][#Branch2][N][C][=C][S][C][=C][Ring1][Branch1][Cl][=N][C][Ring1][N][=C][Ring1][S]
InChI: InChI=1S/C11H7ClFN3S/c12-7-4-17-5-10(7)16-11-14-8-2-1-6(13)3-9(8)15-11/h1-5H,(H2,14,15,16)
SMILES: Cl.Fc1ccc2[nH]c(Nc3c(Cl)csc3Cl)nc2c1
SELFIES: [Cl].[F][C][=C][C][=C][NH1][C][Branch1][=N][N][C][C][Branch1][C][Cl][=C][S][C][=Ring1][=Branch1][Cl][=N][C][Ring1][=N][=C][Ring1][P]
InChI: InChI=1S/C11H6Cl2FN3S.ClH/c12-6-4-18-10(13)9(6)17-11-15-7-2-1-5(14)3-8(7)16-11;/h1-4H,(H2,15,16,17);1H
SMILES: Cl.Fc1ccc2[nH]c(Nc3c(Cl)csc3Br)nc2c1
SELFIES: [Cl].[F][C][=C][C][=C][NH1][C][Branch1][=N][N][C][C][Branch1][C][Cl][=C][S][C][=Ring1][=Branch1][Br][=N][C][Ring1][=N][=C][Ring1][P]
InChI: InChI=1S/C11H6BrClFN3S.ClH/c12-10-9(6(13)4-18-10)17-11-15-7-2-1-5(14)3-8(7)16-11;/h1-4H,(H2,15,16,17);1H
SMILES: Nc1cc(F)c(F)cc1NC(=S)Nc1cscc1Cl
SELFIES: [N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][N][C][=Branch1][C][=S][N][C][=C][S][C][=C][Ring1][Branch1][Cl]
InChI: InChI=1S/C11H8ClF2N3S2/c12-5-3-19-4-10(5)17-11(18)16-9-2-7(14)6(13)1-8(9)15/h1-4H,15H2,(H2,16,17,18)
SMILES: Fc1cc2nc(Nc3cscc3Cl)[nH]c2cc1F
SELFIES: [F][C][=C][C][N][=C][Branch1][#Branch2][N][C][=C][S][C][=C][Ring1][Branch1][Cl][NH1][C][=Ring1][N][C][=C][Ring1][S][F]
InChI: InChI=1S/C11H6ClF2N3S/c12-5-3-18-4-10(5)17-11-15-8-1-6(13)7(14)2-9(8)16-11/h1-4H,(H2,15,16,17)
SMILES: Fc1cc2nc(Nc3c(Cl)csc3Br)[nH]c2cc1F
SELFIES: [F][C][=C][C][N][=C][Branch1][=N][N][C][C][Branch1][C][Cl][=C][S][C][=Ring1][=Branch1][Br][NH1][C][=Ring1][=N][C][=C][Ring1][P][F]
InChI: InChI=1S/C11H5BrClF2N3S/c12-10-9(4(13)3-19-10)18-11-16-7-1-5(14)6(15)2-8(7)17-11/h1-3H,(H2,16,17,18)
SMILES: Cc1cccc2[nH]c(Nc3cscc3Cl)nc12
SELFIES: [C][C][=C][C][=C][C][NH1][C][Branch1][#Branch2][N][C][=C][S][C][=C][Ring1][Branch1][Cl][=N][C][Ring1][S][=Ring1][N]
InChI: InChI=1S/C12H10ClN3S/c1-7-3-2-4-9-11(7)16-12(14-9)15-10-6-17-5-8(10)13/h2-6H,1H3,(H2,14,15,16)
SMILES: Cc1cccc2[nH]c(Nc3c(Cl)csc3Cl)nc12
SELFIES: [C][C][=C][C][=C][C][NH1][C][Branch1][=N][N][C][C][Branch1][C][Cl][=C][S][C][=Ring1][=Branch1][Cl][=N][C][Ring1][P][=Ring1][=N]
InChI: InChI=1S/C12H9Cl2N3S/c1-6-3-2-4-8-9(6)16-12(15-8)17-10-7(13)5-18-11(10)14/h2-5H,1H3,(H2,15,16,17)
SMILES: Clc1cscc1NC1=NC2CCCC[C@@H]2N1
SELFIES: [Cl][C][=C][S][C][=C][Ring1][Branch1][N][C][=N][C][C][C][C][C][C@@H1][Ring1][=Branch1][N][Ring1][=Branch2]
InChI: InChI=1S/C11H14ClN3S/c12-7-5-16-6-10(7)15-11-13-8-3-1-2-4-9(8)14-11/h5-6,8-9H,1-4H2,(H2,13,14,15)/t8-,9?/m0/s1