[
  {
    "molid": "mol28078",
    "smiles": "N=C(Nc1ccc(Cl)cc1)N[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N=C(Nc1ccc(Cl)cc1)N[N+](=O)[O-]",
        "std_free_energy": -5.6899003982543945,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "N=C([N-][N+](=O)[O-])Nc1ccc(Cl)cc1",
        "std_free_energy": -5.076550483703613,
        "relative_population": 0.9749631367061701
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.69999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]