[
  {
    "molid": "mol12059",
    "smiles": "Oc1ccccc1-c1cc2ccccc2cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Oc1ccccc1-c1cc2ccccc2cc1O",
        "std_free_energy": -5.762494087219238,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]c1ccccc1-c1cc2ccccc2cc1O",
        "std_free_energy": -2.7782278060913086,
        "relative_population": 0.3926771329213724
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1cc2ccccc2cc1-c1ccccc1O",
        "std_free_energy": -3.2143006324768066,
        "relative_population": 0.6073228670786277
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.55,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.5500002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.94000005722046,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]