pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.89	AttenGpKa training set	1	0	[NH3+]CCC1=CC(=O)C(=O)C=C1	NCCC1=CC(=O)C(=O)C=C1	mol24389	NCCC1=CC(=O)C(=O)C=C1