[
  {
    "molid": "mol10214",
    "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": -4.887840270996094,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(=O)n(O)c([O-])c1C",
        "std_free_energy": -4.398409843444824,
        "relative_population": 0.5044615276640529
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(=O)n([O-])c(O)c1C",
        "std_free_energy": -4.380563259124756,
        "relative_population": 0.49553847233594706
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1cc(=O)n([O-])c([O-])c1C",
        "std_free_energy": 7.784290790557861,
        "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"
      }
    ]
  }
]