pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.43	IUPAC digitized pKa	1	0	O=[N+]([O-])c1ccc2c[nH+]ccc2c1	O=[N+]([O-])c1ccc2cnccc2c1	mol4341	O=[N+]([O-])c1ccc2cnccc2c1
3.4300000667572	QSARToolbox	1	0	O=[N+]([O-])c1ccc2c[nH+]ccc2c1	O=[N+]([O-])c1ccc2cnccc2c1	mol4341	O=[N+]([O-])c1ccc2cnccc2c1
3.47	AttenGpKa training set	1	0	O=[N+]([O-])c1ccc2c[nH+]ccc2c1	O=[N+]([O-])c1ccc2cnccc2c1	mol4341	O=[N+]([O-])c1ccc2cnccc2c1