[
  {
    "molid": "mol31692",
    "smiles": "CC(=O)[C@@H]1CCCCC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)[C@@H]1CCCCC1=O",
        "std_free_energy": -5.703282833099365,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)[C@@H]1CCC[CH-]C1=O",
        "std_free_energy": 4.60202693939209,
        "relative_population": 0.18794712271020517
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=O)[C-]1CCCCC1=O",
        "std_free_energy": 3.141345262527466,
        "relative_population": 0.8098445680471578
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]