pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.2	AttenGpKa training set	2	1	[NH3+]c1cc(O)n(-c2ccccc2)[nH+]1	Nc1cc(O)n(-c2ccccc2)[nH+]1,[NH3+]c1cc(O)n(-c2ccccc2)n1	mol25441	Nc1cc(O)n(-c2ccccc2)n1