pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	Datawarrior	0	-1	O=C(O)[C@@]12[C@H]3[C@H]4OC(=O)[C@]1(Br)[C@H]4C[C@H]32	O=C([O-])[C@@]12[C@H]3[C@H]4OC(=O)[C@]1(Br)[C@H]4C[C@H]32	mol15119	O=C1OC2C3CC4C2C4(C(=O)O)C13Br