[
  {
    "molid": "mol22936",
    "smiles": "COc1cc(C(=O)O)c(O)cc1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc(C(=O)O)c(O)cc1[N+](=O)[O-]",
        "std_free_energy": -1.4607195854187012,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1cc(C(=O)[O-])c(O)cc1[N+](=O)[O-]",
        "std_free_energy": -11.625377655029297,
        "relative_population": 0.9999657521079157
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]