[
  {
    "molid": "mol36001",
    "smiles": "O=C(O)CC(C(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=C([O-])CC(C(=O)[O-])C(=O)[O-]",
        "std_free_energy": -14.342784881591797,
        "relative_population": 0.9999995465285534
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C(O)CC(C(=O)[O-])C(=O)[O-]",
        "std_free_energy": -12.261295318603516,
        "relative_population": 0.45918834682770193
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=C([O-])CC(C(=O)[O-])C(=O)O",
        "std_free_energy": -12.424901962280273,
        "relative_population": 0.5408095108703926
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.71000003814697,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]