pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.73000001907349	QSARToolbox	0	-1	O=C([O-])C[NH+](C[NH+](CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	O=C([O-])CN(C[NH+](CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-],O=C([O-])CN(CN(CC(=O)O)[N+](=O)[O-])[N+](=O)[O-]	mol36161	O=C(O)CN(CN(CC(=O)O)[N+](=O)[O-])[N+](=O)[O-]