[
  {
    "molid": "mol38503",
    "smiles": "CC(O)=CC(=O)CC(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(O)=CC(=O)CC(C)C",
        "std_free_energy": -5.226992607116699,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC([O-])=CC(=O)CC(C)C",
        "std_free_energy": -1.6155474185943604,
        "relative_population": 0.6041635086515981
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[CH2-]C(O)=CC(=O)CC(C)C",
        "std_free_energy": -1.1926382780075073,
        "relative_population": 0.3958105669056039
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.1899995803833,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]