[
  {
    "molid": "mol13552",
    "smiles": "CC1CCCC(=O)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]1CCCC(=O)C1=O",
        "std_free_energy": -6.668266296386719,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C-]1CCCC(=O)C1=O",
        "std_free_energy": 5.375833988189697,
        "relative_population": 0.18897182649188418
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@@H]1CC[CH-]C(=O)C1=O",
        "std_free_energy": 3.9191291332244873,
        "relative_population": 0.8110281735081158
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.23,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]