[
  {
    "molid": "mol11017",
    "smiles": "CC(=O)C(C)C(=O)c1ccc[se]1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)[C@@H](C)C(=O)c1ccc[se]1",
        "std_free_energy": -5.914448261260986,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)[C-](C)C(=O)c1ccc[se]1",
        "std_free_energy": 3.791590690612793,
        "relative_population": 0.9868828528757667
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.4,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]