[
  {
    "molid": "mol11237",
    "smiles": "COC(=O)C1=C(C(=O)O)C2CCC1C2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC(=O)C1=C(C(=O)O)[C@@H]2CC[C@H]1C2",
        "std_free_energy": -2.9734244346618652,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COC(=O)C1=C(C(=O)[O-])[C@@H]2CC[C@H]1C2",
        "std_free_energy": -8.902603149414062,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.19,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]