pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.6	Baltruschat ChEMBL	0	-1	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1[O-]	mol16980	O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O