pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.25	QSARToolbox	1	0	Cc1cc(-c2ccccc2)[o+]c2cc(O)ccc12	Cc1cc(-c2ccccc2)[o+]c2cc([O-])ccc12	mol26532	Cc1cc(-c2ccccc2)[o+]c2cc(O)ccc12
4.4	AttenGpKa training set	1	0	Cc1cc(-c2ccccc2)[o+]c2cc(O)ccc12	Cc1cc(-c2ccccc2)[o+]c2cc([O-])ccc12	mol26532	Cc1cc(-c2ccccc2)[o+]c2cc(O)ccc12