[
  {
    "molid": "mol35843",
    "smiles": "CCOC(=O)C(C(C)=O)=C(O)C=Cc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)C(C(C)=O)=C(O)C=Cc1ccccc1",
        "std_free_energy": -4.410248756408691,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCOC(=O)C(C(C)=O)=C([O-])C=Cc1ccccc1",
        "std_free_energy": -3.05527663230896,
        "relative_population": 0.9926174363629744
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.64999961853027,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]