pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.34100008010864	QSARToolbox	0	-1	CC(C)c1cc(C2(c3cc(Br)c(O)c(C(C)C)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O	CC(C)c1cc(C2(c3cc(Br)c(O)c(C(C)C)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1[O-]	mol37668	CC(C)c1cc(C2(c3cc(Br)c(O)c(C(C)C)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O
7.44999980926514	QSARToolbox	0	-1	CC(C)c1cc(C2(c3cc(Br)c(O)c(C(C)C)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O	CC(C)c1cc(C2(c3cc(Br)c(O)c(C(C)C)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1[O-]	mol37668	CC(C)c1cc(C2(c3cc(Br)c(O)c(C(C)C)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O