[
  {
    "molid": "mol34697",
    "smiles": "CC(=O)C=C(O)Nc1ccccc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(=O)C=C(O)Nc1ccccc1",
        "std_free_energy": -6.5095744132995605,
        "relative_population": 0.9999982437432502
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)C=C([O-])Nc1ccccc1",
        "std_free_energy": -2.176373243331909,
        "relative_population": 0.9898895207982115
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.9399995803833,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]