pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.48	Datawarrior	0	-1	Sc1ccc(Cl)c(Cl)c1	[S-]c1ccc(Cl)c(Cl)c1	mol13545	Sc1ccc(Cl)c(Cl)c1
5.48000001907349	QSARToolbox	0	-1	Sc1ccc(Cl)c(Cl)c1	[S-]c1ccc(Cl)c(Cl)c1	mol13545	Sc1ccc(Cl)c(Cl)c1