[
  {
    "molid": "mol35958",
    "smiles": "O=C(O)C(=C1CCCC1)C(C(=O)O)=C(c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C(C(C(=O)O)=C1CCCC1)=C(c1ccccc1)c1ccccc1",
        "std_free_energy": -9.298731803894043,
        "relative_population": 0.4705541322905015
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])C(=C1CCCC1)C(C(=O)O)=C(c1ccccc1)c1ccccc1",
        "std_free_energy": -9.416651725769043,
        "relative_population": 0.5294458677094984
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])C(=C1CCCC1)C(C(=O)[O-])=C(c1ccccc1)c1ccccc1",
        "std_free_energy": -10.752532958984375,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.86999988555908,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]