pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.89	AttenGpKa training set	0	-1	Sc1cc(Cl)c(Cl)c(Cl)c1	[S-]c1cc(Cl)c(Cl)c(Cl)c1	mol28246	Sc1cc(Cl)c(Cl)c(Cl)c1