[
  {
    "molid": "mol15356",
    "smiles": "O=c1oc2cc(O)ccc2cc1-c1nc2ccccc2o1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=c1oc2cc(O)ccc2cc1-c1nc2ccccc2o1",
        "std_free_energy": -5.369105339050293,
        "relative_population": 0.999999638292603
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1oc2cc([O-])ccc2cc1-c1nc2ccccc2o1",
        "std_free_energy": -4.583371162414551,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.84,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.8400002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 6.84000015258789,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]