[
  {
    "molid": "mol36553",
    "smiles": "CN/C(=N\\[N+](=O)[O-])N/N=C/c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN/C(=N\\[N+](=O)[O-])N/N=C/c1ccccc1",
        "std_free_energy": -6.882929801940918,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN/C(=N\\[N+](=O)[O-])[N-]/N=C/c1ccccc1",
        "std_free_energy": 1.61953604221344,
        "relative_population": 0.3044198502263816
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[N-]/C(=N\\[N+](=O)[O-])N/N=C/c1ccccc1",
        "std_free_energy": 0.7931976318359375,
        "relative_population": 0.6955801497736185
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.10000038146973,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]