[
  {
    "molid": "mol35885",
    "smiles": "CCON=C(CC)C1=C(O)CC(c2c(C)cc(C)cc2C)CC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCON=C(CC)C1=C(O)C[C@@H](c2c(C)cc(C)cc2C)CC1=O",
        "std_free_energy": -4.144558906555176,
        "relative_population": 0.997735205194949
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCON=C(CC)C1=C([O-])C[C@@H](c2c(C)cc(C)cc2C)CC1=O",
        "std_free_energy": -6.481589317321777,
        "relative_population": 0.9999352917821567
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.98000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]