pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.57	Datawarrior	1	0	O=Cc1ccc(-c2c[nH+]c(-c3ccccc3)o2)cc1	O=Cc1ccc(-c2cnc(-c3ccccc3)o2)cc1	mol15544	O=Cc1ccc(-c2cnc(-c3ccccc3)o2)cc1
0.56999999	OCHEM	1	0	O=Cc1ccc(-c2c[nH+]c(-c3ccccc3)o2)cc1	O=Cc1ccc(-c2cnc(-c3ccccc3)o2)cc1	mol15544	O=Cc1ccc(-c2cnc(-c3ccccc3)o2)cc1
0.569999992847443	QSARToolbox	1	0	O=Cc1ccc(-c2c[nH+]c(-c3ccccc3)o2)cc1	O=Cc1ccc(-c2cnc(-c3ccccc3)o2)cc1	mol15544	O=Cc1ccc(-c2cnc(-c3ccccc3)o2)cc1