pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.1	AttenGpKa training set	0	-1	O=P(O)(O)OP(=O)(O)OP(=O)(O)O	O=P([O-])(O)OP(=O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)([O-])OP(=O)(O)O	mol29024	O=P(O)(O)OP(=O)(O)OP(=O)(O)O
2.3	AttenGpKa training set	0	-1	O=P(O)(O)OP(=O)(O)OP(=O)(O)O	O=P([O-])(O)OP(=O)(O)OP(=O)(O)O,O=P(O)(O)OP(=O)([O-])OP(=O)(O)O	mol29024	O=P(O)(O)OP(=O)(O)OP(=O)(O)O
9.24	AttenGpKa training set	-4	-5	O=P([O-])([O-])OP(=O)(O)OP(=O)([O-])[O-],O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])O	O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-]	mol29024	O=P(O)(O)OP(=O)(O)OP(=O)(O)O
6.5	AttenGpKa training set	-3	-4	O=P([O-])([O-])OP(=O)(O)OP(=O)([O-])O,O=P([O-])([O-])OP(=O)([O-])OP(=O)(O)O,O=P([O-])(O)OP(=O)([O-])OP(=O)([O-])O	O=P([O-])([O-])OP(=O)(O)OP(=O)([O-])[O-],O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])O	mol29024	O=P(O)(O)OP(=O)(O)OP(=O)(O)O