pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.25	QSARToolbox	0	-1	NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1	[NH-]C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1,NC(=O)[C@H](CC(=O)OCc1ccccc1)[N-]C(=O)OCc1ccccc1	mol37396	NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1