pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.98	AttenGpKa training set	1	0	[NH3+]c1ccc2ccc3cccc4ccc1c2c34	Nc1ccc2ccc3cccc4ccc1c2c34	mol23933	Nc1ccc2ccc3cccc4ccc1c2c34