pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.67	AttenGpKa training set	0	-1	CC1=C(Br)[C@@H](O)C(Br)=C[C@H]1[C@@]1(c2cc(Br)c(O)c(Br)c2C)OS(=O)(=O)c2ccccc21	CC1=C(Br)[C@@H](O)C(Br)=C[C@H]1[C@@]1(c2cc(Br)c([O-])c(Br)c2C)OS(=O)(=O)c2ccccc21	mol31055	CC1=C(Br)C(O)C(Br)=CC1C1(c2cc(Br)c(O)c(Br)c2C)OS(=O)(=O)c2ccccc21