[
  {
    "molid": "mol9498",
    "smiles": "O=[N+]([O-])C(CCCC(Cl)(Cl)Cl)[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])C(CCCC(Cl)(Cl)Cl)[N+](=O)[O-]",
        "std_free_energy": -4.593541145324707,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])[C-](CCCC(Cl)(Cl)Cl)[N+](=O)[O-]",
        "std_free_energy": -7.912221431732178,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.79,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]