pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	Organic Oxygen Acids and Nitrogen Bases	1	0	c1ccc(-c2ccc[nH+]c2)cc1	c1ccc(-c2cccnc2)cc1	mol3772	c1ccc(-c2cccnc2)cc1
4.87	AttenGpKa training set	1	0	c1ccc(-c2ccc[nH+]c2)cc1	c1ccc(-c2cccnc2)cc1	mol3772	c1ccc(-c2cccnc2)cc1