pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.59999990463257	QSARToolbox	-1	-2	CC1=C(Br)C(=O)C(Br)=C/C1=C(/c1ccccc1S(=O)(=O)[O-])c1ccc(O)c(Br)c1C	[CH2-]C1=C(Br)C(=O)C(Br)=C/C1=C(/c1ccccc1S(=O)(=O)[O-])c1ccc(O)c(Br)c1C,CC1=C(Br)C(=O)C(Br)=C/C1=C(/c1ccccc1S(=O)(=O)[O-])c1ccc([O-])c(Br)c1C	mol35324	CC1=C(Br)C(=O)C(Br)=C/C1=C(/c1ccccc1S(=O)(=O)O)c1ccc(O)c(Br)c1C