[
  {
    "molid": "mol32200",
    "smiles": "O=C(C[n+]1ccc(/C=N/O)cc1)Nc1nccs1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(C[n+]1ccc(/C=N/O)cc1)[N-]c1nccs1",
        "std_free_energy": -4.693167209625244,
        "relative_population": 0.8988007951376227
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C(C[n+]1ccc(/C=N/[O-])cc1)Nc1nccs1",
        "std_free_energy": -2.48319673538208,
        "relative_population": 0.09860194136682016
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C(C[n+]1ccc(/C=N/[O-])cc1)[N-]c1nccs1",
        "std_free_energy": -1.960749626159668,
        "relative_population": 0.9646896405988842
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.39,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]