pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.0	QSARToolbox	0	-1	O[C@@H](c1ccc(Cl)cc1)C(Cl)(Cl)Cl	[O-][C@@H](c1ccc(Cl)cc1)C(Cl)(Cl)Cl	mol34283	OC(c1ccc(Cl)cc1)C(Cl)(Cl)Cl
11.9899997711182	QSARToolbox	0	-1	O[C@@H](c1ccc(Cl)cc1)C(Cl)(Cl)Cl	[O-][C@@H](c1ccc(Cl)cc1)C(Cl)(Cl)Cl	mol34283	OC(c1ccc(Cl)cc1)C(Cl)(Cl)Cl