[
  {
    "molid": "mol26411",
    "smiles": "OCCc1c[nH]c2ccccc12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "OCCc1c[n-]c2ccccc12",
        "std_free_energy": 10.198912620544434,
        "relative_population": 0.35735767931156154
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]CCc1c[nH]c2ccccc12",
        "std_free_energy": 9.612061500549316,
        "relative_population": 0.6426423206884384
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "[O-]CCc1c[n-]c2ccccc12",
        "std_free_energy": 12.665365219116211,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 16.91,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]