[
  {
    "molid": "mol33077",
    "smiles": "O=C(O)C=Cc1cc(O)ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C=Cc1cc(O)ccc1O",
        "std_free_energy": -4.156343460083008,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C=Cc1cc(O)ccc1O",
        "std_free_energy": -9.162786483764648,
        "relative_population": 0.9995187743557239
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.69,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 3.69000005722046,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]