[
  {
    "molid": "mol34868",
    "smiles": "COc1ccccc1/C=C1\\NC(=O)N(c2ccccc2)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccccc1/C=C1\\NC(=O)N(c2ccccc2)C1=O",
        "std_free_energy": -6.104226112365723,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccccc1/C=C1\\[N-]C(=O)N(c2ccccc2)C1=O",
        "std_free_energy": -1.3001370429992676,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.5100002288818,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]