pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.98	IUPAC digitized pKa	0	-1	O=C(O)CS[C@@H](C(=O)O)c1ccccc1	O=C(O)CS[C@@H](C(=O)[O-])c1ccccc1,O=C([O-])CS[C@@H](C(=O)O)c1ccccc1	mol11352	O=C(O)CSC(C(=O)O)c1ccccc1
4.65	IUPAC digitized pKa	-1	-2	O=C(O)CS[C@@H](C(=O)[O-])c1ccccc1,O=C([O-])CS[C@@H](C(=O)O)c1ccccc1	O=C([O-])CS[C@@H](C(=O)[O-])c1ccccc1	mol11352	O=C(O)CSC(C(=O)O)c1ccccc1