[
  {
    "molid": "mol36766",
    "smiles": "O=[N+]([O-])c1ccc(C(O)C(Cl)(Cl)Cl)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc([C@@H](O)C(Cl)(Cl)Cl)cc1",
        "std_free_energy": -6.82196044921875,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc([C@@H]([O-])C(Cl)(Cl)Cl)cc1",
        "std_free_energy": 5.374838829040527,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.6000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]