pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	Datawarrior	0	-1	CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1O	CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1[O-]	mol15469	CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1O
8.35000038146973	QSARToolbox	0	-1	CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1O	CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1[O-]	mol15469	CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1O
7.5	QSARToolbox	0	-1	CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1O	CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1[O-]	mol15469	CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1O