pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.39	IUPAC digitized pKa	1	0	C[NH+]1CC(=O)Cc2ccccc21	CN1CC(=O)Cc2ccccc21	mol4472	CN1CC(=O)Cc2ccccc21