[
  {
    "molid": "mol38525",
    "smiles": "COC(=O)C(C#N)=Cc1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COC(=O)C(C#N)=Cc1ccc(O)cc1",
        "std_free_energy": -5.157915115356445,
        "relative_population": 0.9999999891547804
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)C(C#N)=Cc1ccc([O-])cc1",
        "std_free_energy": -2.226016044616699,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]