pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.44	IUPAC digitized pKa	1	0	c1csc[nH+]1	c1cscn1	mol4233	c1cscn1
2.518	IUPAC digitized pKa	1	0	c1csc[nH+]1	c1cscn1	mol4233	c1cscn1
2.497	IUPAC digitized pKa	1	0	c1csc[nH+]1	c1cscn1	mol4233	c1cscn1
2.55	IUPAC digitized pKa	1	0	c1csc[nH+]1	c1cscn1	mol4233	c1cscn1
2.52	IUPAC digitized pKa	1	0	c1csc[nH+]1	c1cscn1	mol4233	c1cscn1
2.6	Datawarrior	1	0	c1csc[nH+]1	c1cscn1	mol4233	c1cscn1
2.5999999	OCHEM	1	0	c1csc[nH+]1	c1cscn1	mol4233	c1cscn1
2.5	Baltruschat ChEMBL	1	0	c1csc[nH+]1	c1cscn1	mol4233	c1cscn1
2.6800000667572	QSARToolbox	1	0	c1csc[nH+]1	c1cscn1	mol4233	c1cscn1
2.20000004768372	QSARToolbox	1	0	c1csc[nH+]1	c1cscn1	mol4233	c1cscn1
2.52999997138977	QSARToolbox	1	0	c1csc[nH+]1	c1cscn1	mol4233	c1cscn1
2.53	AttenGpKa training set	1	0	c1csc[nH+]1	c1cscn1	mol4233	c1cscn1