pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.90000009536743	QSARToolbox	0	-1	Fc1ccc(S)c(F)c1	Fc1ccc([S-])c(F)c1	mol28201	Fc1ccc(S)c(F)c1
4.9	AttenGpKa training set	0	-1	Fc1ccc(S)c(F)c1	Fc1ccc([S-])c(F)c1	mol28201	Fc1ccc(S)c(F)c1