[
  {
    "molid": "mol34101",
    "smiles": "O=C(O)CC(C(=O)O)P(=O)(O)O",
    "microspecies": [
      {
        "id": "-4_4",
        "charge": -4,
        "smiles": "O=C([O-])C[C@@H](C(=O)[O-])P(=O)([O-])[O-]",
        "std_free_energy": -14.913959503173828,
        "relative_population": 0.9999939228572281
      },
      {
        "id": "-3_4",
        "charge": -3,
        "smiles": "O=C([O-])C[C@@H](C(=O)O)P(=O)([O-])[O-]",
        "std_free_energy": -13.161909103393555,
        "relative_population": 0.16901832120883484
      },
      {
        "id": "-3_6",
        "charge": -3,
        "smiles": "O=C([O-])C[C@@H](C(=O)[O-])P(=O)([O-])O",
        "std_free_energy": -14.602858543395996,
        "relative_population": 0.714052549641764
      },
      {
        "id": "-3_7",
        "charge": -3,
        "smiles": "O=C(O)C[C@@H](C(=O)[O-])P(=O)([O-])[O-]",
        "std_free_energy": -12.793415069580078,
        "relative_population": 0.11692270608747105
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.03999996185303,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]