pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.60000038146973	QSARToolbox	0	-1	COc1cccc(C[NH2+][C@H](CO)C(=O)[O-])c1	COc1cccc(CN[C@H](CO)C(=O)[O-])c1	mol38414	COc1cccc(CNC(CO)C(=O)O)c1