pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.05	OCHEM	1	0	C[C@@H]([NH3+])[C@@H](O)c1ccccc1	C[C@@H](N)[C@@H](O)c1ccccc1	mol1115	C[C@@H](N)[C@@H](O)c1ccccc1
9.4399995803833	QSARToolbox	1	0	C[C@@H]([NH3+])[C@@H](O)c1ccccc1	C[C@@H](N)[C@@H](O)c1ccccc1	mol1115	C[C@@H](N)[C@@H](O)c1ccccc1