[
  {
    "molid": "mol22898",
    "smiles": "O=C(O)C/C(=C/c1ccccc1)C(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C/C(=C/c1ccccc1)C(=O)O",
        "std_free_energy": -9.18527603149414,
        "relative_population": 0.4325548916350017
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)C/C(=C/c1ccccc1)C(=O)[O-]",
        "std_free_energy": -9.456710815429688,
        "relative_population": 0.5674451083649982
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])C/C(=C/c1ccccc1)C(=O)[O-]",
        "std_free_energy": -11.19645881652832,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.59999990463257,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 3.86,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]