pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.05	Datawarrior	0	-1	NNC(=O)CS	NNC(=O)C[S-]	mol15876	NNC(=O)CS
8.0500002	OCHEM	0	-1	NNC(=O)CS	NNC(=O)C[S-]	mol15876	NNC(=O)CS
8.05000019073486	QSARToolbox	0	-1	NNC(=O)CS	NNC(=O)C[S-]	mol15876	NNC(=O)CS
7.75	AttenGpKa training set	0	-1	NNC(=O)CS	NNC(=O)C[S-]	mol15876	NNC(=O)CS