pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.48000001907349	QSARToolbox	0	-1	C[C@@H](C(=O)[O-])[S@+](O)C(C)(C)C(=O)O,C[C@@H](C(=O)O)[S@+](O)C(C)(C)C(=O)[O-]	C[C@@H](C(=O)O)[S@+]([O-])C(C)(C)C(=O)[O-],C[C@@H](C(=O)[O-])[S@+](O)C(C)(C)C(=O)[O-]	mol34998	CC(C(=O)O)[S+]([O-])C(C)(C)C(=O)O