[
  {
    "molid": "mol9124",
    "smiles": "O=C(O)C(O)=C(O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C(O)=C(O)C(=O)O",
        "std_free_energy": 3.94443416595459,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C(O)=C(O)C(=O)O",
        "std_free_energy": -8.196134567260742,
        "relative_population": 0.9725267230591825
      },
      {
        "id": "-2_4",
        "charge": -2,
        "smiles": "O=C([O-])C(O)=C(O)C(=O)[O-]",
        "std_free_energy": -14.245163917541504,
        "relative_population": 0.999937963468867
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.57,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 1.13999998569489,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.36,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]