[
  {
    "molid": "mol34935",
    "smiles": "CC1=C(C2=C(C)C(=O)C(O)=CC2=O)C(=O)C=C(O)C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=C(C2=C(C)C(=O)C(O)=CC2=O)C(=O)C=C(O)C1=O",
        "std_free_energy": -0.07956327497959137,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1=C(C2=C(C)C(=O)C(O)=CC2=O)C(=O)C=C([O-])C1=O",
        "std_free_energy": -6.361392021179199,
        "relative_population": 0.953878079246737
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.9300000667572,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]