pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.62	IUPAC digitized pKa	0	-1	CC(=O)S	CC(=O)[S-]	mol8942	CC(=O)S
3.71	Datawarrior	0	-1	CC(=O)S	CC(=O)[S-]	mol8942	CC(=O)S
3.33	OCHEM	0	-1	CC(=O)S	CC(=O)[S-]	mol8942	CC(=O)S
3.61999988555908	QSARToolbox	0	-1	CC(=O)S	CC(=O)[S-]	mol8942	CC(=O)S
3.32999992370605	QSARToolbox	0	-1	CC(=O)S	CC(=O)[S-]	mol8942	CC(=O)S
3.2	AttenGpKa training set	0	-1	CC(=O)S	CC(=O)[S-]	mol8942	CC(=O)S
3.555	AttenGpKa training set	0	-1	CC(=O)S	CC(=O)[S-]	mol8942	CC(=O)S