pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.28	Datawarrior	0	-1	COc1cccc(O)c1O	COc1cccc(O)c1[O-],COc1cccc([O-])c1O	mol12947	COc1cccc(O)c1O
9.2799997	OCHEM	0	-1	COc1cccc(O)c1O	COc1cccc(O)c1[O-],COc1cccc([O-])c1O	mol12947	COc1cccc(O)c1O
9.27999973297119	QSARToolbox	0	-1	COc1cccc(O)c1O	COc1cccc(O)c1[O-],COc1cccc([O-])c1O	mol12947	COc1cccc(O)c1O
9.32	AttenGpKa training set	0	-1	COc1cccc(O)c1O	COc1cccc(O)c1[O-],COc1cccc([O-])c1O	mol12947	COc1cccc(O)c1O
13.6	AttenGpKa training set	-1	-2	COc1cccc(O)c1[O-],COc1cccc([O-])c1O	COc1cccc([O-])c1[O-]	mol12947	COc1cccc(O)c1O