pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.56	AttenGpKa training set	1	0	Cc1ccc(-c2ccc[nH+]c2)s1	Cc1ccc(-c2cccnc2)s1	mol25098	Cc1ccc(-c2cccnc2)s1