[
  {
    "molid": "mol31124",
    "smiles": "C/C(O)=C1\\CCCC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/C(O)=C1\\CCCC1=O",
        "std_free_energy": -4.980134963989258,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[CH2-]/C(O)=C1\\CCCC1=O",
        "std_free_energy": -0.05705941468477249,
        "relative_population": 0.2308149492923401
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C/C([O-])=C1\\CCCC1=O",
        "std_free_energy": -1.2563831806182861,
        "relative_population": 0.7658145741223313
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]