pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.22	IUPAC digitized pKa	1	0	NC(=O)[C@@H]([NH3+])Cc1ccccc1	NC(=O)[C@@H](N)Cc1ccccc1	mol5440	NC(=O)[C@@H](N)Cc1ccccc1
7.45	IUPAC digitized pKa	1	0	NC(=O)[C@@H]([NH3+])Cc1ccccc1	NC(=O)[C@@H](N)Cc1ccccc1	mol5440	NC(=O)[C@@H](N)Cc1ccccc1
7.26000022888184	QSARToolbox	1	0	NC(=O)[C@@H]([NH3+])Cc1ccccc1	NC(=O)[C@@H](N)Cc1ccccc1	mol5440	NC(=O)[C@@H](N)Cc1ccccc1