[
  {
    "molid": "mol31889",
    "smiles": "C/C(O)=C/C(=O)CC(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C/C(O)=C/C(=O)CC(C)C",
        "std_free_energy": -5.167782783508301,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[CH2-]/C(O)=C/C(=O)CC(C)C",
        "std_free_energy": -1.1926383972167969,
        "relative_population": 0.44327414066192206
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "C/C([O-])=C/C(=O)CC(C)C",
        "std_free_energy": -1.4202802181243896,
        "relative_population": 0.5565907483525796
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.19,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.1899995803833,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]