pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.40000009536743	QSARToolbox	0	-1	O=C(O)Cc1cc(O)ccc1O	O=C([O-])Cc1cc(O)ccc1O	mol23308	O=C(O)Cc1cc(O)ccc1O
4.1399998664856	QSARToolbox	0	-1	O=C(O)Cc1cc(O)ccc1O	O=C([O-])Cc1cc(O)ccc1O	mol23308	O=C(O)Cc1cc(O)ccc1O
4.4	AttenGpKa training set	0	-1	O=C(O)Cc1cc(O)ccc1O	O=C([O-])Cc1cc(O)ccc1O	mol23308	O=C(O)Cc1cc(O)ccc1O