pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.18000030517578	QSARToolbox	0	-1	CCOC(=O)[C@H](N)CS	CCOC(=O)[C@H](N)C[S-]	mol38170	CCOC(=O)C(N)CS
6.71000003814697	QSARToolbox	1	0	CCOC(=O)[C@H]([NH3+])CS	CCOC(=O)[C@H](N)CS	mol38170	CCOC(=O)C(N)CS