[
  {
    "molid": "mol12918",
    "smiles": "CCC1C(=O)C(CC)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@H]1C(=O)[C@@H](CC)C1=O",
        "std_free_energy": -2.3047726154327393,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C-]1C(=O)C(CC)C1=O",
        "std_free_energy": -9.802942276000977,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]