[
  {
    "molid": "mol36574",
    "smiles": "COC(=O)/C(C#N)=C/c1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)/C(C#N)=C/c1ccc(O)cc1",
        "std_free_energy": -5.157914638519287,
        "relative_population": 0.9999999777008806
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)/C(C#N)=C/c1ccc([O-])cc1",
        "std_free_energy": -2.226015090942383,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.25299978256226,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]