pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.88	OCHEM	0	-1	SCCCCS	[S-]CCCCS	mol431	SCCCCS
9.98	AttenGpKa training set	0	-1	SCCCCS	[S-]CCCCS	mol431	SCCCCS
11.5	QSARToolbox	-1	-2	[S-]CCCCS	[S-]CCCC[S-]	mol431	SCCCCS
10.7	AttenGpKa training set	-1	-2	[S-]CCCCS	[S-]CCCC[S-]	mol431	SCCCCS