pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.35	Datawarrior	0	-1	COc1nc([N+](=O)[O-])n[nH]1	COc1nc([N+](=O)[O-])n[n-]1	mol12955	COc1nc([N+](=O)[O-])n[nH]1
5.3499999	OCHEM	0	-1	COc1nc([N+](=O)[O-])n[nH]1	COc1nc([N+](=O)[O-])n[n-]1	mol12955	COc1nc([N+](=O)[O-])n[nH]1
5.34999990463257	QSARToolbox	0	-1	COc1nc([N+](=O)[O-])n[nH]1	COc1nc([N+](=O)[O-])n[n-]1	mol12955	COc1nc([N+](=O)[O-])n[nH]1