pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.17999994754791	QSARToolbox	0	-1	O=[N+]([O-])C(CC(CO)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	O=[N+]([O-])[C-](CC(CO)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	mol36799	O=[N+]([O-])C(CC(CO)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]