[
  {
    "molid": "mol26527",
    "smiles": "O=[N+]([O-])c1cc(O)c2[nH]ncc2c1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1cc(O)c2[nH]ncc2c1[N+](=O)[O-]",
        "std_free_energy": -1.9721295833587646,
        "relative_population": 0.9999946310517258
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1cc([O-])c2[nH]ncc2c1[N+](=O)[O-]",
        "std_free_energy": -6.337897777557373,
        "relative_population": 0.9531089791812336
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]