pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.12	IUPAC digitized pKa	0	-1	O=C(O)c1ccc2ccccc2c1OP(=O)(O)O	O=C([O-])c1ccc2ccccc2c1OP(=O)(O)O,O=C(O)c1ccc2ccccc2c1OP(=O)([O-])O	mol11559	O=C(O)c1ccc2ccccc2c1OP(=O)(O)O
1.12000000476837	QSARToolbox	0	-1	O=C(O)c1ccc2ccccc2c1OP(=O)(O)O	O=C([O-])c1ccc2ccccc2c1OP(=O)(O)O,O=C(O)c1ccc2ccccc2c1OP(=O)([O-])O	mol11559	O=C(O)c1ccc2ccccc2c1OP(=O)(O)O
3.78	IUPAC digitized pKa	-1	-2	O=C([O-])c1ccc2ccccc2c1OP(=O)(O)O,O=C(O)c1ccc2ccccc2c1OP(=O)([O-])O	O=C([O-])c1ccc2ccccc2c1OP(=O)([O-])O,O=C(O)c1ccc2ccccc2c1OP(=O)([O-])[O-]	mol11559	O=C(O)c1ccc2ccccc2c1OP(=O)(O)O
7.99	IUPAC digitized pKa	-2	-3	O=C([O-])c1ccc2ccccc2c1OP(=O)([O-])O,O=C(O)c1ccc2ccccc2c1OP(=O)([O-])[O-]	O=C([O-])c1ccc2ccccc2c1OP(=O)([O-])[O-]	mol11559	O=C(O)c1ccc2ccccc2c1OP(=O)(O)O