pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.65	OCHEM	-1	-2	O=C(Nc1cc(Cl)ccc1[O-])OCC(Cl)(Cl)Cl	O=C([N-]c1cc(Cl)ccc1[O-])OCC(Cl)(Cl)Cl	mol17802	O=C(Nc1cc(Cl)ccc1O)OCC(Cl)(Cl)Cl