[
  {
    "molid": "mol10589",
    "smiles": "CC(=O)OCc1cc(=O)c(O)c([N+](=O)[O-])o1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)OCc1cc(=O)c(O)c([N+](=O)[O-])o1",
        "std_free_energy": -1.842972993850708,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)OCc1cc(=O)c([O-])c([N+](=O)[O-])o1",
        "std_free_energy": -5.58627986907959,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.6,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]