pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.90000009536743	QSARToolbox	1	0	NC(=O)N[NH2+][C@@H](c1ccccc1)C(C=O)C=O,NC(=O)NN[C@@H](c1ccccc1)C(C=O)C=[OH+],NC(=[OH+])NN[C@@H](c1ccccc1)C(C=O)C=O	NC(=O)NN[C@@H](c1ccccc1)C(C=O)C=O	mol37095	NC(=O)NNC(c1ccccc1)C(C=O)C=O