pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.32	IUPAC digitized pKa	0	-1	c1ccc(-c2ncc[nH]2)cc1	c1ccc(-c2ncc[n-]2)cc1	mol3920	c1ccc(-c2ncc[nH]2)cc1
13.1	AttenGpKa training set	0	-1	c1ccc(-c2ncc[nH]2)cc1	c1ccc(-c2ncc[n-]2)cc1	mol3920	c1ccc(-c2ncc[nH]2)cc1
6.402	IUPAC digitized pKa	1	0	c1ccc(-c2[nH]cc[nH+]2)cc1	c1ccc(-c2ncc[nH]2)cc1	mol3920	c1ccc(-c2ncc[nH]2)cc1
6.48	IUPAC digitized pKa	1	0	c1ccc(-c2[nH]cc[nH+]2)cc1	c1ccc(-c2ncc[nH]2)cc1	mol3920	c1ccc(-c2ncc[nH]2)cc1
6.39	Datawarrior	1	0	c1ccc(-c2[nH]cc[nH+]2)cc1	c1ccc(-c2ncc[nH]2)cc1	mol3920	c1ccc(-c2ncc[nH]2)cc1
6.3899999	OCHEM	1	0	c1ccc(-c2[nH]cc[nH+]2)cc1	c1ccc(-c2ncc[nH]2)cc1	mol3920	c1ccc(-c2ncc[nH]2)cc1