pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.1000003814697	QSARToolbox	0	-1	COc1cccc(O[C@@](O)(CBr)c2ccccc2)c1	COc1cccc(O[C@@]([O-])(CBr)c2ccccc2)c1	mol34181	COc1cccc(OC(O)(CBr)c2ccccc2)c1
11.1199998855591	QSARToolbox	0	-1	COc1cccc(O[C@@](O)(CBr)c2ccccc2)c1	COc1cccc(O[C@@]([O-])(CBr)c2ccccc2)c1	mol34181	COc1cccc(OC(O)(CBr)c2ccccc2)c1