pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.8	AttenGpKa training set	0	-1	Cc1c(C2(c3cc(Cl)c(O)c(Cl)c3C)OS(=O)(=O)c3ccccc32)cc(Cl)c(O)c1Cl	Cc1c(C2(c3cc(Cl)c(O)c(Cl)c3C)OS(=O)(=O)c3ccccc32)cc(Cl)c([O-])c1Cl	mol31033	Cc1c(C2(c3cc(Cl)c(O)c(Cl)c3C)OS(=O)(=O)c3ccccc32)cc(Cl)c(O)c1Cl