pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.05	Datawarrior	1	0	COc1ccc(-c2c[nH+]c(-c3ccccc3)o2)cc1	COc1ccc(-c2cnc(-c3ccccc3)o2)cc1	mol15547	COc1ccc(-c2cnc(-c3ccccc3)o2)cc1
1.04999995231628	QSARToolbox	1	0	COc1ccc(-c2c[nH+]c(-c3ccccc3)o2)cc1	COc1ccc(-c2cnc(-c3ccccc3)o2)cc1	mol15547	COc1ccc(-c2cnc(-c3ccccc3)o2)cc1