[
  {
    "molid": "mol34732",
    "smiles": "CC(=O)Nc1ccc([C@H]2C[C@@H]2C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)Nc1ccc([C@H]2C[C@@H]2C(=O)O)cc1",
        "std_free_energy": -4.186120986938477,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)Nc1ccc([C@H]2C[C@@H]2C(=O)[O-])cc1",
        "std_free_energy": -9.000795364379883,
        "relative_population": 0.9999915671473186
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.57000017166138,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]