[
  {
    "molid": "mol1798",
    "smiles": "Cc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]",
        "std_free_energy": -1.0420509576797485,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]",
        "std_free_energy": -11.547943115234375,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.97,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      }
    ]
  }
]