pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.77	IUPAC digitized pKa	1	0	c1ccc(-c2cccc[nH+]2)cc1	c1ccc(-c2ccccn2)cc1	mol3771	c1ccc(-c2ccccn2)cc1
4.48	Organic Oxygen Acids and Nitrogen Bases	1	0	c1ccc(-c2cccc[nH+]2)cc1	c1ccc(-c2ccccn2)cc1	mol3771	c1ccc(-c2ccccn2)cc1
4.576666667	AttenGpKa training set	1	0	c1ccc(-c2cccc[nH+]2)cc1	c1ccc(-c2ccccn2)cc1	mol3771	c1ccc(-c2ccccn2)cc1