pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.59	IUPAC digitized pKa	0	-1	Cc1csc(C(=O)O)c1	Cc1csc(C(=O)[O-])c1	mol9688	Cc1csc(C(=O)O)c1
3.56	IUPAC digitized pKa	0	-1	Cc1csc(C(=O)O)c1	Cc1csc(C(=O)[O-])c1	mol9688	Cc1csc(C(=O)O)c1
3.76	IUPAC digitized pKa	0	-1	Cc1csc(C(=O)O)c1	Cc1csc(C(=O)[O-])c1	mol9688	Cc1csc(C(=O)O)c1
3.66	Datawarrior	0	-1	Cc1csc(C(=O)O)c1	Cc1csc(C(=O)[O-])c1	mol9688	Cc1csc(C(=O)O)c1
3.6600001	OCHEM	0	-1	Cc1csc(C(=O)O)c1	Cc1csc(C(=O)[O-])c1	mol9688	Cc1csc(C(=O)O)c1
3.75999999046326	QSARToolbox	0	-1	Cc1csc(C(=O)O)c1	Cc1csc(C(=O)[O-])c1	mol9688	Cc1csc(C(=O)O)c1
3.55999994277954	QSARToolbox	0	-1	Cc1csc(C(=O)O)c1	Cc1csc(C(=O)[O-])c1	mol9688	Cc1csc(C(=O)O)c1