pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.86	IUPAC digitized pKa	0	-1	COc1ccc(-c2cnc(O)nc2)cc1	COc1ccc(-c2cnc([O-])nc2)cc1	mol2525	COc1ccc(-c2cnc(O)nc2)cc1
8.56	OCHEM	0	-1	COc1ccc(-c2cnc(O)nc2)cc1	COc1ccc(-c2cnc([O-])nc2)cc1	mol2525	COc1ccc(-c2cnc(O)nc2)cc1
8.85999965667725	QSARToolbox	0	-1	COc1ccc(-c2cnc(O)nc2)cc1	COc1ccc(-c2cnc([O-])nc2)cc1	mol2525	COc1ccc(-c2cnc(O)nc2)cc1
1.9099999666214	QSARToolbox	1	0	COc1ccc(-c2cnc(O)[nH+]c2)cc1	COc1ccc(-c2cnc(O)nc2)cc1	mol2525	COc1ccc(-c2cnc(O)nc2)cc1