pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.23	Datawarrior	0	-1	NC(=O)[C@H](CC(=O)O)c1ccccc1	NC(=O)[C@H](CC(=O)[O-])c1ccccc1	mol13304	NC(=O)C(CC(=O)O)c1ccccc1
4.42000007629395	QSARToolbox	0	-1	NC(=O)[C@H](CC(=O)O)c1ccccc1	NC(=O)[C@H](CC(=O)[O-])c1ccccc1	mol13304	NC(=O)C(CC(=O)O)c1ccccc1
4.03999996185303	QSARToolbox	0	-1	NC(=O)[C@H](CC(=O)O)c1ccccc1	NC(=O)[C@H](CC(=O)[O-])c1ccccc1	mol13304	NC(=O)C(CC(=O)O)c1ccccc1