pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.615	IUPAC digitized pKa	0	-1	Sc1ccccc1	[S-]c1ccccc1	mol2580	Sc1ccccc1
6.62	IUPAC digitized pKa	0	-1	Sc1ccccc1	[S-]c1ccccc1	mol2580	Sc1ccccc1
6.43	IUPAC digitized pKa	0	-1	Sc1ccccc1	[S-]c1ccccc1	mol2580	Sc1ccccc1
6.37	Datawarrior	0	-1	Sc1ccccc1	[S-]c1ccccc1	mol2580	Sc1ccccc1
6.5	OCHEM	0	-1	Sc1ccccc1	[S-]c1ccccc1	mol2580	Sc1ccccc1
6.6	OCHEM	0	-1	Sc1ccccc1	[S-]c1ccccc1	mol2580	Sc1ccccc1
6.3699999	OCHEM	0	-1	Sc1ccccc1	[S-]c1ccccc1	mol2580	Sc1ccccc1
5.90000009536743	QSARToolbox	0	-1	Sc1ccccc1	[S-]c1ccccc1	mol2580	Sc1ccccc1
6.61999988555908	QSARToolbox	0	-1	Sc1ccccc1	[S-]c1ccccc1	mol2580	Sc1ccccc1
8.19999980926514	QSARToolbox	0	-1	Sc1ccccc1	[S-]c1ccccc1	mol2580	Sc1ccccc1
5.98000001907349	QSARToolbox	0	-1	Sc1ccccc1	[S-]c1ccccc1	mol2580	Sc1ccccc1
6.51000022888184	QSARToolbox	0	-1	Sc1ccccc1	[S-]c1ccccc1	mol2580	Sc1ccccc1
6.19999980926514	QSARToolbox	0	-1	Sc1ccccc1	[S-]c1ccccc1	mol2580	Sc1ccccc1
6.30000019073486	QSARToolbox	0	-1	Sc1ccccc1	[S-]c1ccccc1	mol2580	Sc1ccccc1
6.525	AttenGpKa training set	0	-1	Sc1ccccc1	[S-]c1ccccc1	mol2580	Sc1ccccc1