pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.03	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1O	O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-]	mol21702	O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1O
3.02999997138977	QSARToolbox	0	-1	O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1O	O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-]	mol21702	O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1O