pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.53	IUPAC digitized pKa	0	-1	O=C(O)CSc1cccc(Br)c1	O=C([O-])CSc1cccc(Br)c1	mol10745	O=C(O)CSc1cccc(Br)c1
3.52999997138977	QSARToolbox	0	-1	O=C(O)CSc1cccc(Br)c1	O=C([O-])CSc1cccc(Br)c1	mol10745	O=C(O)CSc1cccc(Br)c1