[
  {
    "molid": "mol31409",
    "smiles": "Cc1cc(O)n(O)c(=O)c1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(O)n(O)c(=O)c1C",
        "std_free_energy": -5.05751895904541,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(O)n([O-])c(=O)c1C",
        "std_free_energy": -3.965066909790039,
        "relative_population": 0.506565670251965
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc([O-])n(O)c(=O)c1C",
        "std_free_energy": -3.938802719116211,
        "relative_population": 0.4934343297480349
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1cc([O-])n([O-])c(=O)c1C",
        "std_free_energy": 8.408147811889648,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.05,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 10.35,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]