[
  {
    "molid": "mol9016",
    "smiles": "CC(=O)C(Cl)Cl",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)C(Cl)Cl",
        "std_free_energy": -5.847617149353027,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[CH2-]C(=O)C(Cl)Cl",
        "std_free_energy": 7.505984783172607,
        "relative_population": 0.05058145151050662
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)[C-](Cl)Cl",
        "std_free_energy": 4.5737199783325195,
        "relative_population": 0.9494185484894934
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 14.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]