[
  {
    "molid": "mol35802",
    "smiles": "Cc1cccc(NC(=O)C(C)(C)C)c1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc(NC(=O)C(C)(C)C)c1C(=O)O",
        "std_free_energy": -3.4429454803466797,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cccc(NC(=O)C(C)(C)C)c1C(=O)[O-]",
        "std_free_energy": -10.162016868591309,
        "relative_population": 0.9999998667462927
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.90000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]