pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.36	AttenGpKa training set	1	0	[NH3+]c1ccc(OCCO)cc1	Nc1ccc(OCCO)cc1	mol23748	Nc1ccc(OCCO)cc1