pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.1	AttenGpKa training set	0	-1	Cc1c(C2(c3cc(Br)c(O)c(C)c3C)OS(=O)(=O)c3ccccc32)cc(Br)c(O)c1C	Cc1c(C2(c3cc(Br)c(O)c(C)c3C)OS(=O)(=O)c3ccccc32)cc(Br)c([O-])c1C	mol31045	Cc1c(C2(c3cc(Br)c(O)c(C)c3C)OS(=O)(=O)c3ccccc32)cc(Br)c(O)c1C