[
  {
    "molid": "mol33797",
    "smiles": "O=c1c(O)c(-c2ccccc2)oc2cc(O)ccc12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1c([O-])c(-c2ccccc2)oc2cc(O)ccc12",
        "std_free_energy": -2.8697869777679443,
        "relative_population": 0.3643665229508828
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=c1c(O)c(-c2ccccc2)oc2cc([O-])ccc12",
        "std_free_energy": -3.426248788833618,
        "relative_population": 0.6356334770491172
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=c1c([O-])c(-c2ccccc2)oc2cc([O-])ccc12",
        "std_free_energy": 5.711816787719727,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.25,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]