[
  {
    "molid": "mol28071",
    "smiles": "N=C(NC(=O)c1ccccc1)N[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=C(NC(=O)c1ccccc1)N[N+](=O)[O-]",
        "std_free_energy": -5.9152069091796875,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "N=C([N-][N+](=O)[O-])NC(=O)c1ccccc1",
        "std_free_energy": -7.579272747039795,
        "relative_population": 0.985633686066378
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.10000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 8.1,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]