pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.41	Datawarrior	0	-1	O=C(O)c1c(Cl)cccc1[N+](=O)[O-]	O=C([O-])c1c(Cl)cccc1[N+](=O)[O-]	mol1029	O=C(O)c1c(Cl)cccc1[N+](=O)[O-]
1.34	Organic Oxygen Acids and Nitrogen Bases	0	-1	O=C(O)c1c(Cl)cccc1[N+](=O)[O-]	O=C([O-])c1c(Cl)cccc1[N+](=O)[O-]	mol1029	O=C(O)c1c(Cl)cccc1[N+](=O)[O-]
1.3400000333786	QSARToolbox	0	-1	O=C(O)c1c(Cl)cccc1[N+](=O)[O-]	O=C([O-])c1c(Cl)cccc1[N+](=O)[O-]	mol1029	O=C(O)c1c(Cl)cccc1[N+](=O)[O-]
1.48000001907349	QSARToolbox	0	-1	O=C(O)c1c(Cl)cccc1[N+](=O)[O-]	O=C([O-])c1c(Cl)cccc1[N+](=O)[O-]	mol1029	O=C(O)c1c(Cl)cccc1[N+](=O)[O-]