pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.78	Datawarrior	0	-1	CCCCS	CCCC[S-]	mol2268	CCCCS
10.66	OCHEM	0	-1	CCCCS	CCCC[S-]	mol2268	CCCCS
10.6599998474121	QSARToolbox	0	-1	CCCCS	CCCC[S-]	mol2268	CCCCS
10.7799997329712	QSARToolbox	0	-1	CCCCS	CCCC[S-]	mol2268	CCCCS
10.77	AttenGpKa training set	0	-1	CCCCS	CCCC[S-]	mol2268	CCCCS