[
  {
    "molid": "mol36482",
    "smiles": "N=C(N/N=C/Cc1ccccc1)N[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=C(N/N=C/Cc1ccccc1)N[N+](=O)[O-]",
        "std_free_energy": -5.549691677093506,
        "relative_population": 1.0
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "N=C([N-][N+](=O)[O-])N/N=C/Cc1ccccc1",
        "std_free_energy": -6.994779586791992,
        "relative_population": 0.9909820911394309
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]