pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.59999990463257	QSARToolbox	0	-1	CC(=O)N[C@@H](CSc1ccccc1)C(=O)O	CC(=O)N[C@@H](CSc1ccccc1)C(=O)[O-]	mol37427	CC(=O)N[C@@H](CSc1ccccc1)C(=O)O