pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.96	Datawarrior	1	0	c1ccc(-c2n[nH+]c(-c3ccccc3)o2)cc1	c1ccc(-c2nnc(-c3ccccc3)o2)cc1	mol15285	c1ccc(-c2nnc(-c3ccccc3)o2)cc1
1.96000003814697	QSARToolbox	1	0	c1ccc(-c2n[nH+]c(-c3ccccc3)o2)cc1	c1ccc(-c2nnc(-c3ccccc3)o2)cc1	mol15285	c1ccc(-c2nnc(-c3ccccc3)o2)cc1