[
  {
    "molid": "mol31714",
    "smiles": "O=C(O)C[C@](Cc1ccccc1)(C(=O)O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C[C@](Cc1ccccc1)(C(=O)O)c1ccccc1",
        "std_free_energy": -2.4939661026000977,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C[C@](Cc1ccccc1)(C(=O)O)c1ccccc1",
        "std_free_energy": -9.265482902526855,
        "relative_population": 0.5398295617754296
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)C[C@](Cc1ccccc1)(C(=O)[O-])c1ccccc1",
        "std_free_energy": -9.105826377868652,
        "relative_population": 0.46017043822457043
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.69,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]