pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.40999984741211	QSARToolbox	-1	-2	CC1=C(Br)C(=O)C(C(C)C)=C/C1=C(\c1ccccc1S(=O)(=O)[O-])c1cc(C(C)C)c(O)c(Br)c1C	[CH2-]C1=C(Br)C(=O)C(C(C)C)=C/C1=C(\c1ccccc1S(=O)(=O)[O-])c1cc(C(C)C)c(O)c(Br)c1C,CC1=C(Br)C(=O)C(C(C)C)=C/C1=C(\c1ccccc1S(=O)(=O)[O-])c1cc(C(C)C)c([O-])c(Br)c1C	mol35072	CC1=C(Br)C(=O)C(C(C)C)=C/C1=C(\c1ccccc1S(=O)(=O)O)c1cc(C(C)C)c(O)c(Br)c1C