[
  {
    "molid": "mol34744",
    "smiles": "CC(=O)/C=C/c1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)/C=C/c1ccc(O)cc1",
        "std_free_energy": -6.225828170776367,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)/C=C/c1ccc([O-])cc1",
        "std_free_energy": -0.7925499677658081,
        "relative_population": 0.999999995008279
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.27999973297119,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]