[
  {
    "molid": "mol36483",
    "smiles": "N=C(N/N=C/c1ccccc1)N[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=C(N/N=C/c1ccccc1)N[N+](=O)[O-]",
        "std_free_energy": -6.073740482330322,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N=C([N-][N+](=O)[O-])N/N=C/c1ccccc1",
        "std_free_energy": -7.0396599769592285,
        "relative_population": 0.9426212879154154
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "[N-]=C(N/N=C/c1ccccc1)N[N+](=O)[O-]",
        "std_free_energy": -4.23499870300293,
        "relative_population": 0.057054293072567576
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.38000011444092,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]