[
  {
    "molid": "mol34386",
    "smiles": "COc1ccc(CC(=O)C(=O)O)cc1OC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(CC(=O)C(=O)O)cc1OC",
        "std_free_energy": -2.028543472290039,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccc(CC(=O)C(=O)[O-])cc1OC",
        "std_free_energy": -10.921333312988281,
        "relative_population": 0.9993155129955592
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.09999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]