pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.69000005722046	QSARToolbox	0	-1	O=C(O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1	O=C([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1	mol23078	O=C(O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1
2.6	AttenGpKa training set	0	-1	O=C(O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1	O=C([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1	mol23078	O=C(O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1