pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.53	IUPAC digitized pKa	1	0	CC[N+](O)(CC)c1ccccc1	CC[N+]([O-])(CC)c1ccccc1	mol3382	CC[N+]([O-])(CC)c1ccccc1
4.53000020980835	QSARToolbox	1	0	CC[N+](O)(CC)c1ccccc1	CC[N+]([O-])(CC)c1ccccc1	mol3382	CC[N+]([O-])(CC)c1ccccc1