pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.75	AttenGpKa training set	1	0	[NH3+]c1cccc2c3ccccc3c3ccccc3c12	Nc1cccc2c3ccccc3c3ccccc3c12	mol24014	Nc1cccc2c3ccccc3c3ccccc3c12