pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.86	IUPAC digitized pKa	0	-1	Cn1cc(C(=O)O)ccc1=O	Cn1cc(C(=O)[O-])ccc1=O	mol3648	Cn1cc(C(=O)O)ccc1=O
3.84	IUPAC digitized pKa	0	-1	Cn1cc(C(=O)O)ccc1=O	Cn1cc(C(=O)[O-])ccc1=O	mol3648	Cn1cc(C(=O)O)ccc1=O
3.85999989509583	QSARToolbox	0	-1	Cn1cc(C(=O)O)ccc1=O	Cn1cc(C(=O)[O-])ccc1=O	mol3648	Cn1cc(C(=O)O)ccc1=O
-1.70000004768372	QSARToolbox	1	0	Cn1cc(C(=O)O)ccc1=[OH+],Cn1cc(C(O)=[OH+])ccc1=O	Cn1cc(C(=O)O)ccc1=O	mol3648	Cn1cc(C(=O)O)ccc1=O