pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.439999997615814	QSARToolbox	0	-1	O=S(=O)(O)C1=CC(=C(O)O)c2ccccc21	O=S(=O)([O-])C1=CC(=C(O)O)c2ccccc21	mol31248	O=S(=O)(O)C1=CC(=C(O)O)c2ccccc21
0.55	AttenGpKa training set	0	-1	O=S(=O)(O)C1=CC(=C(O)O)c2ccccc21	O=S(=O)([O-])C1=CC(=C(O)O)c2ccccc21	mol31248	O=S(=O)(O)C1=CC(=C(O)O)c2ccccc21