pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.16000008583069	QSARToolbox	0	-1	CN1C(=O)[C@@H](Cc2ccccc2)N(CC(=O)O)C1=O	CN1C(=O)[C@@H](Cc2ccccc2)N(CC(=O)[O-])C1=O	mol27577	CN1C(=O)C(Cc2ccccc2)N(CC(=O)O)C1=O
3.16	AttenGpKa training set	0	-1	CN1C(=O)[C@@H](Cc2ccccc2)N(CC(=O)O)C1=O	CN1C(=O)[C@@H](Cc2ccccc2)N(CC(=O)[O-])C1=O	mol27577	CN1C(=O)C(Cc2ccccc2)N(CC(=O)O)C1=O