pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.21	Datawarrior	0	-1	Cc1cccc(O[C@](O)(CBr)c2ccccc2)c1	Cc1cccc(O[C@]([O-])(CBr)c2ccccc2)c1	mol14897	Cc1cccc(OC(O)(CBr)c2ccccc2)c1
11.1999998092651	QSARToolbox	0	-1	Cc1cccc(O[C@](O)(CBr)c2ccccc2)c1	Cc1cccc(O[C@]([O-])(CBr)c2ccccc2)c1	mol14897	Cc1cccc(OC(O)(CBr)c2ccccc2)c1
11.210000038147	QSARToolbox	0	-1	Cc1cccc(O[C@](O)(CBr)c2ccccc2)c1	Cc1cccc(O[C@]([O-])(CBr)c2ccccc2)c1	mol14897	Cc1cccc(OC(O)(CBr)c2ccccc2)c1