EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC(=O)C(C)Oc1nc(N)nc2c1sc(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O]
InChI: InChI=1S/C14H18N4O8S/c1-4(12(22)24-2)25-10-8-9(16-13(15)17-10)18(14(23)27-8)11-7(21)6(20)5(3-19)26-11/h4-7,11,19-21H,3H2,1-2H3,(H2,15,16,17)/t4?,5-,6-,7-,11-/m1/s1
SMILES: CCCOc1nc(N)nc2c1sc(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
SELFIES: [C][C][C][O][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O]
InChI: InChI=1S/C13H18N4O6S/c1-2-3-22-10-8-9(15-12(14)16-10)17(13(21)24-8)11-7(20)6(19)5(4-18)23-11/h5-7,11,18-20H,2-4H2,1H3,(H2,14,15,16)/t5-,6-,7-,11-/m1/s1
SMILES: CCCCOc1nc(N)nc2c1sc(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
SELFIES: [C][C][C][C][O][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O]
InChI: InChI=1S/C14H20N4O6S/c1-2-3-4-23-11-9-10(16-13(15)17-11)18(14(22)25-9)12-8(21)7(20)6(5-19)24-12/h6-8,12,19-21H,2-5H2,1H3,(H2,15,16,17)/t6-,7-,8-,12-/m1/s1
SMILES: Nc1nc(OCc2ccc(F)cc2)c2sc(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
SELFIES: [N][C][=N][C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][S][C][=Branch1][C][=O][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][Ring1][#C][=N][Ring2][Ring1][N]
InChI: InChI=1S/C17H17FN4O6S/c18-8-3-1-7(2-4-8)6-27-14-12-13(20-16(19)21-14)22(17(26)29-12)15-11(25)10(24)9(5-23)28-15/h1-4,9-11,15,23-25H,5-6H2,(H2,19,20,21)/t9-,10-,11-,15-/m1/s1
SMILES: Nc1nc(OCCCO)c2sc(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
SELFIES: [N][C][=N][C][Branch1][=Branch1][O][C][C][C][O][=C][S][C][=Branch1][C][=O][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][Ring1][#C][=N][Ring2][Ring1][Branch2]
InChI: InChI=1S/C13H18N4O7S/c14-12-15-9-8(10(16-12)23-3-1-2-18)25-13(22)17(9)11-7(21)6(20)5(4-19)24-11/h5-7,11,18-21H,1-4H2,(H2,14,15,16)/t5-,6-,7-,11-/m1/s1
SMILES: Nc1nc(OCCCCO)c2sc(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
SELFIES: [N][C][=N][C][Branch1][#Branch1][O][C][C][C][C][O][=C][S][C][=Branch1][C][=O][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][Ring1][#C][=N][Ring2][Ring1][=Branch2]
InChI: InChI=1S/C14H20N4O7S/c15-13-16-10-9(11(17-13)24-4-2-1-3-19)26-14(23)18(10)12-8(22)7(21)6(5-20)25-12/h6-8,12,19-22H,1-5H2,(H2,15,16,17)/t6-,7-,8-,12-/m1/s1
SMILES: CCOC(=O)N(CC)COc1nc(N)nc2c1sc(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
SELFIES: [C][C][O][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][O][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O]
InChI: InChI=1S/C16H23N5O8S/c1-3-20(15(25)27-4-2)6-28-12-10-11(18-14(17)19-12)21(16(26)30-10)13-9(24)8(23)7(5-22)29-13/h7-9,13,22-24H,3-6H2,1-2H3,(H2,17,18,19)/t7-,8-,9-,13-/m1/s1
SMILES: CCOC(=O)N(C)COc1nc(N)nc2c1sc(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
SELFIES: [C][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][O][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O]
InChI: InChI=1S/C15H21N5O8S/c1-3-26-14(24)19(2)5-27-11-9-10(17-13(16)18-11)20(15(25)29-9)12-8(23)7(22)6(4-21)28-12/h6-8,12,21-23H,3-5H2,1-2H3,(H2,16,17,18)/t6-,7-,8-,12-/m1/s1
SMILES: Nc1nc(OCC2CC2)c2sc(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
SELFIES: [N][C][=N][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][=C][S][C][=Branch1][C][=O][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][Ring1][#C][=N][Ring2][Ring1][Branch2]
InChI: InChI=1S/C14H18N4O6S/c15-13-16-10-9(11(17-13)23-4-5-1-2-5)25-14(22)18(10)12-8(21)7(20)6(3-19)24-12/h5-8,12,19-21H,1-4H2,(H2,15,16,17)/t6-,7-,8-,12-/m1/s1
SMILES: Nc1nc(OC/C=C/c2ccccc2)c2sc(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
SELFIES: [N][C][=N][C][Branch1][=N][O][C][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][C][=Branch1][C][=O][N][Branch1][S][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C][Ring1][#C][=N][Ring2][Ring1][=N]
InChI: InChI=1S/C19H20N4O6S/c20-18-21-15-14(16(22-18)28-8-4-7-10-5-2-1-3-6-10)30-19(27)23(15)17-13(26)12(25)11(9-24)29-17/h1-7,11-13,17,24-26H,8-9H2,(H2,20,21,22)/b7-4+/t11-,12-,13-,17-/m1/s1
SMILES: CC(=O)OC[C@H]1O[C@@H](n2c(=O)sc3c(OCc4oc(=O)oc4C)nc(N)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O
SELFIES: [C][C][=Branch1][C][=O][O][C][C@H1][O][C@@H1][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][S][C][=C][Branch1][=C][O][C][C][O][C][=Branch1][C][=O][O][C][=Ring1][=Branch1][C][N][=C][Branch1][C][N][N][=C][Ring1][S][Ring2][Ring1][Ring2][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Ring1][=N][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C21H22N4O12S/c1-7-11(37-21(30)33-7)5-32-17-15-16(23-19(22)24-17)25(20(29)38-15)18-14(35-10(4)28)13(34-9(3)27)12(36-18)6-31-8(2)26/h12-14,18H,5-6H2,1-4H3,(H2,22,23,24)/t12-,13-,14-,18-/m1/s1
SMILES: CCOC(=O)NCOc1nc(N)nc2c1sc(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
SELFIES: [C][C][O][C][=Branch1][C][=O][N][C][O][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O]
InChI: InChI=1S/C14H19N5O8S/c1-2-25-13(23)16-4-26-10-8-9(17-12(15)18-10)19(14(24)28-8)11-7(22)6(21)5(3-20)27-11/h5-7,11,20-22H,2-4H2,1H3,(H,16,23)(H2,15,17,18)/t5-,6-,7-,11-/m1/s1
SMILES: Cc1oc(=O)oc1COc1nc(N)nc2c1sc(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
SELFIES: [C][C][O][C][=Branch1][C][=O][O][C][=Ring1][=Branch1][C][O][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O]
InChI: InChI=1S/C15H16N4O9S/c1-4-6(28-15(24)26-4)3-25-11-9-10(17-13(16)18-11)19(14(23)29-9)12-8(22)7(21)5(2-20)27-12/h5,7-8,12,20-22H,2-3H2,1H3,(H2,16,17,18)/t5-,7-,8-,12-/m1/s1
SMILES: CC(C)(C)OC(=O)CCCOc1nc(N)nc2c1sc(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][C][O][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O]
InChI: InChI=1S/C18H26N4O8S/c1-18(2,3)30-9(24)5-4-6-28-14-12-13(20-16(19)21-14)22(17(27)31-12)15-11(26)10(25)8(7-23)29-15/h8,10-11,15,23,25-26H,4-7H2,1-3H3,(H2,19,20,21)/t8-,10-,11-,15-/m1/s1
SMILES: CC(=O)OCCCCOc1nc(N)nc2c1sc(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
SELFIES: [C][C][=Branch1][C][=O][O][C][C][C][C][O][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O]
InChI: InChI=1S/C16H22N4O8S/c1-7(22)26-4-2-3-5-27-13-11-12(18-15(17)19-13)20(16(25)29-11)14-10(24)9(23)8(6-21)28-14/h8-10,14,21,23-24H,2-6H2,1H3,(H2,17,18,19)/t8-,9-,10-,14-/m1/s1
SMILES: CC(=O)OCCCOc1nc(N)nc2c1sc(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
SELFIES: [C][C][=Branch1][C][=O][O][C][C][C][O][C][=N][C][Branch1][C][N][=N][C][=C][Ring1][#Branch1][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Ring1][Branch2][O]
InChI: InChI=1S/C15H20N4O8S/c1-6(21)25-3-2-4-26-12-10-11(17-14(16)18-12)19(15(24)28-10)13-9(23)8(22)7(5-20)27-13/h7-9,13,20,22-23H,2-5H2,1H3,(H2,16,17,18)/t7-,8-,9-,13-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](CO)O[C@H]1n1c(=O)sc2c(O)nc(N)nc21
SELFIES: [C][C][=Branch1][C][=O][O][C@@H1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][Ring1][C][O][O][C@H1][Ring1][O][N][C][=Branch1][C][=O][S][C][=C][Branch1][C][O][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][Ring1][N]
InChI: InChI=1S/C14H16N4O8S/c1-4(20)24-7-6(3-19)26-12(8(7)25-5(2)21)18-10-9(27-14(18)23)11(22)17-13(15)16-10/h6-8,12,19H,3H2,1-2H3,(H3,15,16,17,22)/t6-,7-,8-,12-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](COC(=O)C(C)(C)C)O[C@H]1n1c(=O)sc2c(O)nc(N)nc21
SELFIES: [C][C][=Branch1][C][=O][O][C@@H1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][#C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][O][C@H1][Ring1][P][N][C][=Branch1][C][=O][S][C][=C][Branch1][C][O][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][Ring1][N]
InChI: InChI=1S/C19H24N4O9S/c1-7(24)30-10-9(6-29-16(27)19(3,4)5)32-15(11(10)31-8(2)25)23-13-12(33-18(23)28)14(26)22-17(20)21-13/h9-11,15H,6H2,1-5H3,(H3,20,21,22,26)/t9-,10-,11-,15-/m1/s1
SMILES: CCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](n2c(=O)sc3c(O)nc(N)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O
SELFIES: [C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C@H1][O][C@@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][S][C][=C][Branch1][C][O][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][Ring1][N][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Ring1][Branch1][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C26H38N4O9S/c1-4-5-6-7-8-9-10-11-12-13-18(33)36-14-17-19(37-15(2)31)20(38-16(3)32)24(39-17)30-22-21(40-26(30)35)23(34)29-25(27)28-22/h17,19-20,24H,4-14H2,1-3H3,(H3,27,28,29,34)/t17-,19-,20-,24-/m1/s1
SMILES: CCCC(=O)OC[C@H]1O[C@@H](n2c(=O)sc3c(O)nc(N)nc32)[C@H](OC(=O)CCC)[C@@H]1OC(=O)CCC
SELFIES: [C][C][C][C][=Branch1][C][=O][O][C][C@H1][O][C@@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][S][C][=C][Branch1][C][O][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][Ring1][N][C@H1][Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][C][C@@H1][Ring2][Ring1][#Branch1][O][C][=Branch1][C][=O][C][C][C]
InChI: InChI=1S/C22H30N4O9S/c1-4-7-12(27)32-10-11-15(34-13(28)8-5-2)16(35-14(29)9-6-3)20(33-11)26-18-17(36-22(26)31)19(30)25-21(23)24-18/h11,15-16,20H,4-10H2,1-3H3,(H3,23,24,25,30)/t11-,15-,16-,20-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](COC(=O)[C@@H](N)C(C)C)O[C@H]1n1c(=O)sc2c(O)nc(N)nc21
SELFIES: [C][C][=Branch1][C][=O][O][C@@H1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][S][C][O][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][Branch1][C][C][C][O][C@H1][Ring2][Ring1][C][N][C][=Branch1][C][=O][S][C][=C][Branch1][C][O][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][Ring1][N]
InChI: InChI=1S/C19H25N5O9S/c1-6(2)10(20)17(28)30-5-9-11(31-7(3)25)12(32-8(4)26)16(33-9)24-14-13(34-19(24)29)15(27)23-18(21)22-14/h6,9-12,16H,5,20H2,1-4H3,(H3,21,22,23,27)/t9-,10+,11-,12-,16-/m1/s1
SMILES: CC(C)[C@H](N)C(=O)OC[C@H]1O[C@@H](n2c(=O)sc3c(O)nc(N)nc32)[C@@H]2OC(=O)O[C@@H]21
SELFIES: [C][C][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][C][C@H1][O][C@@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][S][C][=C][Branch1][C][O][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][Ring1][N][C@@H1][O][C][=Branch1][C][=O][O][C@@H1][Ring1][=Branch1][Ring2][Ring1][Branch1]
InChI: InChI=1S/C16H19N5O8S/c1-4(2)6(17)13(23)26-3-5-7-8(29-16(25)28-7)12(27-5)21-10-9(30-15(21)24)11(22)20-14(18)19-10/h4-8,12H,3,17H2,1-2H3,(H3,18,19,20,22)/t5-,6+,7-,8-,12-/m1/s1
SMILES: CC(C)[C@H](N)C(=O)N[C@H](C(=O)OC[C@H]1O[C@@H](n2c(=O)sc3c(O)nc(N)nc32)[C@H](O)[C@@H]1O)C(C)C
SELFIES: [C][C][Branch1][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][N][C][=Branch1][C][=O][O][C][C@H1][O][C@@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][S][C][=C][Branch1][C][O][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][Ring1][N][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][C][O][C][Branch1][C][C][C]
InChI: InChI=1S/C20H30N6O8S/c1-6(2)9(21)15(29)23-10(7(3)4)18(31)33-5-8-11(27)12(28)17(34-8)26-14-13(35-20(26)32)16(30)25-19(22)24-14/h6-12,17,27-28H,5,21H2,1-4H3,(H,23,29)(H3,22,24,25,30)/t8-,9+,10+,11-,12-,17-/m1/s1
SMILES: CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)OC[C@H]1O[C@@H](n2c(=O)sc3c(O)nc(N)nc32)[C@H](O)[C@@H]1O
SELFIES: [C][C][Branch1][C][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C@H1][O][C@@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][S][C][=C][Branch1][C][O][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][Ring1][N][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][C][O]
InChI: InChI=1S/C24H30N6O8S/c1-10(2)14(27-19(33)12(25)8-11-6-4-3-5-7-11)22(35)37-9-13-15(31)16(32)21(38-13)30-18-17(39-24(30)36)20(34)29-23(26)28-18/h3-7,10,12-16,21,31-32H,8-9,25H2,1-2H3,(H,27,33)(H3,26,28,29,34)/t12-,13+,14-,15+,16+,21+/m0/s1
SMILES: CCCCCCCC(=O)OC[C@H]1O[C@@H](n2c(=O)sc3c(O)nc(N)nc32)[C@H](O)[C@@H]1O
SELFIES: [C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C@H1][O][C@@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][S][C][=C][Branch1][C][O][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][Ring1][N][C@H1][Branch1][C][O][C@@H1][Ring2][Ring1][C][O]
InChI: InChI=1S/C18H26N4O7S/c1-2-3-4-5-6-7-10(23)28-8-9-11(24)12(25)16(29-9)22-14-13(30-18(22)27)15(26)21-17(19)20-14/h9,11-12,16,24-25H,2-8H2,1H3,(H3,19,20,21,26)/t9-,11-,12-,16-/m1/s1
SMILES: CC(=O)OC[C@H]1O[C@@H](n2c(=O)sc3c(OS(=O)(=O)c4ccc(C)cc4)nc(N)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O
SELFIES: [C][C][=Branch1][C][=O][O][C][C@H1][O][C@@H1][Branch2][Ring2][N][N][C][=Branch1][C][=O][S][C][=C][Branch2][Ring1][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=C][Branch1][C][N][N][=C][Ring2][Ring1][C][Ring2][Ring1][=Branch1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Ring1][#C][O][C][Branch1][C][C][=O]
InChI: InChI=1S/C23H24N4O11S2/c1-10-5-7-14(8-6-10)40(32,33)38-20-18-19(25-22(24)26-20)27(23(31)39-18)21-17(36-13(4)30)16(35-12(3)29)15(37-21)9-34-11(2)28/h5-8,15-17,21H,9H2,1-4H3,(H2,24,25,26)/t15-,16-,17-,21-/m1/s1
SMILES: C=Cc1ccc(P(c2ccccc2)c2ccccc2)cc1
SELFIES: [C][=C][C][=C][C][=C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C20H17P/c1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h2-16H,1H2
SMILES: CN1C2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@H]1[C@H]1OC21
SELFIES: [C][N][C][C][C@H1][Branch2][Ring1][#Branch2][O][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][C][=C][S][Ring1][Branch1][C][C@H1][Ring2][Ring1][Branch1][C@H1][O][C][Ring2][Ring1][#Branch1][Ring1][Ring1]
InChI: InChI=1S/C18H19NO4S2/c1-19-11-8-10(9-12(19)16-15(11)23-16)22-17(20)18(21,13-4-2-6-24-13)14-5-3-7-25-14/h2-7,10-12,15-16,21H,8-9H2,1H3/t10-,11+,12?,15-,16?/m1/s1
SMILES: Clc1ccccc1-c1nnc2ccc(Cc3ccccc3)cn12
SELFIES: [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][C][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][S][Ring1][=N]
InChI: InChI=1S/C19H14ClN3/c20-17-9-5-4-8-16(17)19-22-21-18-11-10-15(13-23(18)19)12-14-6-2-1-3-7-14/h1-11,13H,12H2
SMILES: Cc1ccc(C(O)c2ccc3nnc(-c4ccccc4Cl)n3c2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][=N][C][Branch1][C][O][C][C][=C][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=Ring1][S][C][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C20H16ClN3O/c1-13-6-8-14(9-7-13)19(25)15-10-11-18-22-23-20(24(18)12-15)16-4-2-3-5-17(16)21/h2-12,19,25H,1H3
SMILES: CC(C)c1nnc2ccc(Cc3ccc(F)cc3)cn12
SELFIES: [C][C][Branch1][C][C][C][=N][N][=C][C][=C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][N][Ring1][P][Ring1][=C]
InChI: InChI=1S/C16H16FN3/c1-11(2)16-19-18-15-8-5-13(10-20(15)16)9-12-3-6-14(17)7-4-12/h3-8,10-11H,9H2,1-2H3
SMILES: CC(C)c1nnc2ccc(Cc3ccccc3)cn12
SELFIES: [C][C][Branch1][C][C][C][=N][N][=C][C][=C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][S][Ring1][=N]
InChI: InChI=1S/C16H17N3/c1-12(2)16-18-17-15-9-8-14(11-19(15)16)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3
SMILES: Cc1cccc(C(O)c2ccc3nnc(C(C)C)n3c2)c1
SELFIES: [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][Branch1][C][O][C][C][=C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][=Ring1][N][=C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C17H19N3O/c1-11(2)17-19-18-15-8-7-14(10-20(15)17)16(21)13-6-4-5-12(3)9-13/h4-11,16,21H,1-3H3
SMILES: Cc1cc(C(O)c2ccc3nnc(C(C)C)n3c2)ccc1F
SELFIES: [C][C][=C][C][Branch2][Ring1][=Branch2][C][Branch1][C][O][C][C][=C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][=Ring1][N][=C][C][=C][Ring2][Ring1][Ring2][F]
InChI: InChI=1S/C17H18FN3O/c1-10(2)17-20-19-15-7-5-13(9-21(15)17)16(22)12-4-6-14(18)11(3)8-12/h4-10,16,22H,1-3H3
SMILES: Cc1cccc(Cc2ccc3nnc(C(C)C)n3c2)c1
SELFIES: [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][C][C][=C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][=Ring1][N][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C17H19N3/c1-12(2)17-19-18-16-8-7-15(11-20(16)17)10-14-6-4-5-13(3)9-14/h4-9,11-12H,10H2,1-3H3
SMILES: Cc1cccc(C(O)c2ccc3nnc(-c4ccccc4Cl)n3c2)c1
SELFIES: [C][C][=C][C][=C][C][Branch2][Ring1][=N][C][Branch1][C][O][C][C][=C][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=Ring1][S][=C][Ring2][Ring1][Branch2]
InChI: InChI=1S/C20H16ClN3O/c1-13-5-4-6-14(11-13)19(25)15-9-10-18-22-23-20(24(18)12-15)16-7-2-3-8-17(16)21/h2-12,19,25H,1H3
SMILES: Cc1cccc(Cc2ccc3nnc(-c4ccccc4Cl)n3c2)c1
SELFIES: [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][C][C][=C][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=Ring1][S][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C20H16ClN3/c1-14-5-4-6-15(11-14)12-16-9-10-19-22-23-20(24(19)13-16)17-7-2-3-8-18(17)21/h2-11,13H,12H2,1H3
SMILES: Cc1cccc(C(O)c2ccc3nnc(-c4ccccc4)n3c2)c1
SELFIES: [C][C][=C][C][=C][C][Branch2][Ring1][N][C][Branch1][C][O][C][C][=C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=Ring1][#C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C20H17N3O/c1-14-6-5-9-16(12-14)19(24)17-10-11-18-21-22-20(23(18)13-17)15-7-3-2-4-8-15/h2-13,19,24H,1H3
SMILES: Cc1cccc(Cc2ccc3nnc(-c4ccccc4)n3c2)c1
SELFIES: [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][C][C][=C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=Ring1][#C][=C][Ring2][Ring1][=Branch1]
InChI: InChI=1S/C20H17N3/c1-15-6-5-7-16(12-15)13-17-10-11-19-21-22-20(23(19)14-17)18-8-3-2-4-9-18/h2-12,14H,13H2,1H3
SMILES: Cc1ccc(Cc2ccc3nnc(-c4ccccc4Cl)n3c2)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=C][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=Ring1][S][C][=C][Ring2][Ring1][#Branch1]
InChI: InChI=1S/C20H16ClN3/c1-14-6-8-15(9-7-14)12-16-10-11-19-22-23-20(24(19)13-16)17-4-2-3-5-18(17)21/h2-11,13H,12H2,1H3
SMILES: Cc1ccccc1C(O)c1ccc2nnc(-c3ccccc3Cl)n2c1
SELFIES: [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][=C][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][Ring1][N][C][=Ring1][S]
InChI: InChI=1S/C20H16ClN3O/c1-13-6-2-3-7-15(13)19(25)14-10-11-18-22-23-20(24(18)12-14)16-8-4-5-9-17(16)21/h2-12,19,25H,1H3
SMILES: CC(C)c1nnc2ccc(Sc3ccccc3)cn12
SELFIES: [C][C][Branch1][C][C][C][=N][N][=C][C][=C][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][S][Ring1][=N]
InChI: InChI=1S/C15H15N3S/c1-11(2)15-17-16-14-9-8-13(10-18(14)15)19-12-6-4-3-5-7-12/h3-11H,1-2H3
SMILES: CC(C)c1nnc2ccc(Sc3cccc(F)c3)cn12
SELFIES: [C][C][Branch1][C][C][C][=N][N][=C][C][=C][C][Branch1][=N][S][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][N][Ring1][P][Ring1][=C]
InChI: InChI=1S/C15H14FN3S/c1-10(2)15-18-17-14-7-6-13(9-19(14)15)20-12-5-3-4-11(16)8-12/h3-10H,1-2H3
SMILES: CC(C)c1nnc2ccc(Sc3ccc(Cl)cc3)cn12
SELFIES: [C][C][Branch1][C][C][C][=N][N][=C][C][=C][C][Branch1][=N][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][N][Ring1][P][Ring1][=C]
InChI: InChI=1S/C15H14ClN3S/c1-10(2)15-18-17-14-8-7-13(9-19(14)15)20-12-5-3-11(16)4-6-12/h3-10H,1-2H3
SMILES: CCc1nnc2ccc(Sc3ccccc3)cn12
SELFIES: [C][C][C][=N][N][=C][C][=C][C][Branch1][#Branch2][S][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][S][Ring1][=N]
InChI: InChI=1S/C14H13N3S/c1-2-13-15-16-14-9-8-12(10-17(13)14)18-11-6-4-3-5-7-11/h3-10H,2H2,1H3
SMILES: CC(C)c1nnc2ccc(Sc3ccccc3CO)cn12
SELFIES: [C][C][Branch1][C][C][C][=N][N][=C][C][=C][C][Branch1][N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][=C][N][Ring2][Ring1][C][Ring1][#C]
InChI: InChI=1S/C16H17N3OS/c1-11(2)16-18-17-15-8-7-13(9-19(15)16)21-14-6-4-3-5-12(14)10-20/h3-9,11,20H,10H2,1-2H3
SMILES: CCNC(=O)NCc1ccccc1Sc1ccc2nnc(C(C)C)n2c1
SELFIES: [C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][=Ring1][N]
InChI: InChI=1S/C19H23N5OS/c1-4-20-19(25)21-11-14-7-5-6-8-16(14)26-15-9-10-17-22-23-18(13(2)3)24(17)12-15/h5-10,12-13H,4,11H2,1-3H3,(H2,20,21,25)
SMILES: CCNC(=O)OCc1ccccc1Sc1ccc2nnc(C(C)C)n2c1
SELFIES: [C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][=Ring1][N]
InChI: InChI=1S/C19H22N4O2S/c1-4-20-19(24)25-12-14-7-5-6-8-16(14)26-15-9-10-17-21-22-18(13(2)3)23(17)11-15/h5-11,13H,4,12H2,1-3H3,(H,20,24)
SMILES: CCN(C)C(=O)NCc1ccccc1Sc1ccc2nnc(C(C)C)n2c1
SELFIES: [C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][=Ring1][N]
InChI: InChI=1S/C20H25N5OS/c1-5-24(4)20(26)21-12-15-8-6-7-9-17(15)27-16-10-11-18-22-23-19(14(2)3)25(18)13-16/h6-11,13-14H,5,12H2,1-4H3,(H,21,26)
SMILES: CC(=O)NCc1ccccc1Sc1ccc2nnc(C(C)C)n2c1
SELFIES: [C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][=Ring1][N]
InChI: InChI=1S/C18H20N4OS/c1-12(2)18-21-20-17-9-8-15(11-22(17)18)24-16-7-5-4-6-14(16)10-19-13(3)23/h4-9,11-12H,10H2,1-3H3,(H,19,23)
SMILES: Cc1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(C(C)C)n3c2)n(C)n1
SELFIES: [C][C][C][=C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][=Ring1][N][N][Branch1][C][C][N][=Ring2][Ring1][=C]
InChI: InChI=1S/C22H25N7OS/c1-14(2)21-26-25-19-10-9-17(13-29(19)21)31-18-8-6-5-7-16(18)12-23-22(30)24-20-11-15(3)27-28(20)4/h5-11,13-14H,12H2,1-4H3,(H2,23,24,30)
SMILES: CC(C)C(=O)NCc1ccccc1Sc1ccc2nnc(C(C)C)n2c1
SELFIES: [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][=Ring1][N]
InChI: InChI=1S/C20H24N4OS/c1-13(2)19-23-22-18-10-9-16(12-24(18)19)26-17-8-6-5-7-15(17)11-21-20(25)14(3)4/h5-10,12-14H,11H2,1-4H3,(H,21,25)
SMILES: CCOC(=O)NCc1ccccc1Sc1ccc2nnc(C(C)C)n2c1
SELFIES: [C][C][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][=Ring1][N]
InChI: InChI=1S/C19H22N4O2S/c1-4-25-19(24)20-11-14-7-5-6-8-16(14)26-15-9-10-17-21-22-18(13(2)3)23(17)12-15/h5-10,12-13H,4,11H2,1-3H3,(H,20,24)
SMILES: C=CCNC(=O)NCc1ccccc1Sc1ccc2nnc(C(C)C)n2c1
SELFIES: [C][=C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][=Ring1][N]
InChI: InChI=1S/C20H23N5OS/c1-4-11-21-20(26)22-12-15-7-5-6-8-17(15)27-16-9-10-18-23-24-19(14(2)3)25(18)13-16/h4-10,13-14H,1,11-12H2,2-3H3,(H2,21,22,26)
SMILES: CC(C)NC(=O)NCc1ccccc1Sc1ccc2nnc(C(C)C)n2c1
SELFIES: [C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][=C][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][Ring1][Branch2][C][=Ring1][N]
InChI: InChI=1S/C20H25N5OS/c1-13(2)19-24-23-18-10-9-16(12-25(18)19)27-17-8-6-5-7-15(17)11-21-20(26)22-14(3)4/h5-10,12-14H,11H2,1-4H3,(H2,21,22,26)