pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.57999992370606	QSARToolbox	0	-1	O=C([O-])C[NH+](CC[NH+](CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	O=C([O-])CN(CC[NH+](CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	mol34294	O=C(O)CN(CCN(CC(=O)O)[N+](=O)[O-])[N+](=O)[O-]