pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.68	AttenGpKa training set	1	0	Cc1ccc(-c2cc[nH+]cc2)s1	Cc1ccc(-c2ccncc2)s1	mol25096	Cc1ccc(-c2ccncc2)s1