[
  {
    "molid": "mol36002",
    "smiles": "O=C(O)CC(C(=O)O)C(P(=O)(O)O)P(=O)(O)O",
    "microspecies": [
      {
        "id": "-6_2",
        "charge": -6,
        "smiles": "O=C([O-])C[C@H](C(=O)[O-])C(P(=O)([O-])[O-])P(=O)([O-])[O-]",
        "std_free_energy": -15.129624366760254,
        "relative_population": 0.999999054704969
      },
      {
        "id": "-5_1",
        "charge": -5,
        "smiles": "O=C(O)C[C@H](C(=O)[O-])C(P(=O)([O-])[O-])P(=O)([O-])[O-]",
        "std_free_energy": -13.41724681854248,
        "relative_population": 0.12263175380328568
      },
      {
        "id": "-5_2",
        "charge": -5,
        "smiles": "O=C([O-])C[C@H](C(=O)O)C(P(=O)([O-])[O-])P(=O)([O-])[O-]",
        "std_free_energy": -13.824965476989746,
        "relative_population": 0.18436263338956863
      },
      {
        "id": "-5_4",
        "charge": -5,
        "smiles": "O=C([O-])C[C@H](C(=O)[O-])C(P(=O)([O-])[O-])P(=O)([O-])O",
        "std_free_energy": -15.149090766906738,
        "relative_population": 0.6929999601042315
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.4399995803833,
        "charge_state_pre": -5,
        "charge_state_post": -6,
        "data_source": "QSARToolbox"
      }
    ]
  }
]