[
  {
    "molid": "mol26811",
    "smiles": "C/C(O)=C1\\CCCCC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/C(O)=C1\\CCCCC1=O",
        "std_free_energy": -5.357224464416504,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[CH2-]/C(O)=C1\\CCCCC1=O",
        "std_free_energy": 1.6389262676239014,
        "relative_population": 0.10815560697309308
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C/C([O-])=C1\\CCCCC1=O",
        "std_free_energy": -0.46869489550590515,
        "relative_population": 0.8899739197066235
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]