pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.0500001907349	QSARToolbox	-2	-3	O=C([O-])[C@H](C[S-])NS(=O)(=O)c1ccccc1,O=C([O-])[C@H](CS)[N-]S(=O)(=O)c1ccccc1	O=C([O-])[C@H](C[S-])[N-]S(=O)(=O)c1ccccc1	mol37422	O=C(O)[C@H](CS)NS(=O)(=O)c1ccccc1