pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.4	IUPAC digitized pKa	-3	-4	CC(C)(P(=O)([O-])[O-])P(=O)([O-])O	CC(C)(P(=O)([O-])[O-])P(=O)([O-])[O-]	mol9085	CC(C)(P(=O)(O)O)P(=O)(O)O
12.1	IUPAC digitized pKa	-3	-4	CC(C)(P(=O)([O-])[O-])P(=O)([O-])O	CC(C)(P(=O)([O-])[O-])P(=O)([O-])[O-]	mol9085	CC(C)(P(=O)(O)O)P(=O)(O)O
2.94	IUPAC digitized pKa	-1	-2	CC(C)(P(=O)([O-])O)P(=O)(O)O	CC(C)(P(=O)([O-])O)P(=O)([O-])O,CC(C)(P(=O)([O-])[O-])P(=O)(O)O	mol9085	CC(C)(P(=O)(O)O)P(=O)(O)O
3.16	IUPAC digitized pKa	-1	-2	CC(C)(P(=O)([O-])O)P(=O)(O)O	CC(C)(P(=O)([O-])O)P(=O)([O-])O,CC(C)(P(=O)([O-])[O-])P(=O)(O)O	mol9085	CC(C)(P(=O)(O)O)P(=O)(O)O
7.75	IUPAC digitized pKa	-2	-3	CC(C)(P(=O)([O-])O)P(=O)([O-])O,CC(C)(P(=O)([O-])[O-])P(=O)(O)O	CC(C)(P(=O)([O-])[O-])P(=O)([O-])O	mol9085	CC(C)(P(=O)(O)O)P(=O)(O)O
8.04	IUPAC digitized pKa	-2	-3	CC(C)(P(=O)([O-])O)P(=O)([O-])O,CC(C)(P(=O)([O-])[O-])P(=O)(O)O	CC(C)(P(=O)([O-])[O-])P(=O)([O-])O	mol9085	CC(C)(P(=O)(O)O)P(=O)(O)O