[
  {
    "molid": "mol30914",
    "smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1O",
        "std_free_energy": -3.2780256271362305,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1[O-]",
        "std_free_energy": -4.588619232177734,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.02,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]