[
  {
    "molid": "mol26496",
    "smiles": "C[n+]1nn(O)c2cc([N+](=O)[O-])ccc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[n+]1nn([O-])c2cc([N+](=O)[O-])ccc21",
        "std_free_energy": -6.429290771484375,
        "relative_population": 0.9999978047417298
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1nn(O)c2cc([N+](=O)[O-])ccc21",
        "std_free_energy": 9.393482208251953,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.35,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]