[
  {
    "molid": "mol9694",
    "smiles": "Nc1cc[n+]([O-])cc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cc[n+]([O-])cc1C(=O)O",
        "std_free_energy": -5.027754306793213,
        "relative_population": 0.7806119380754908
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1cc[n+](O)cc1C(=O)[O-]",
        "std_free_energy": -3.713228702545166,
        "relative_population": 0.20967370651300957
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1cc[n+]([O-])cc1C(=O)[O-]",
        "std_free_energy": -11.315860748291016,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.98,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]