pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.96	IUPAC digitized pKa	0	-1	SCCS	[S-]CCS	mol8935	SCCS
9.05	IUPAC digitized pKa	0	-1	SCCS	[S-]CCS	mol8935	SCCS
9.3	OCHEM	0	-1	SCCS	[S-]CCS	mol8935	SCCS
9.5	QSARToolbox	0	-1	SCCS	[S-]CCS	mol8935	SCCS
10.54	IUPAC digitized pKa	-1	-2	[S-]CCS	[S-]CC[S-]	mol8935	SCCS
10.56	IUPAC digitized pKa	-1	-2	[S-]CCS	[S-]CC[S-]	mol8935	SCCS
10.3	OCHEM	-1	-2	[S-]CCS	[S-]CC[S-]	mol8935	SCCS
9.875	AttenGpKa training set	-1	-2	[S-]CCS	[S-]CC[S-]	mol8935	SCCS