[
  {
    "molid": "mol26812",
    "smiles": "COC(=O)C1CCCC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)[C@H]1CCCC1=O",
        "std_free_energy": -6.317302703857422,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)[C@H]1CC[CH-]C1=O",
        "std_free_energy": 4.6088995933532715,
        "relative_population": 0.36466320872420355
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COC(=O)[C-]1CCCC1=O",
        "std_free_energy": 4.053718566894531,
        "relative_population": 0.6353367912757965
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.52,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]