[
  {
    "molid": "mol37049",
    "smiles": "Oc1ccc2ccc(-c3ccc(O)c(O)c3)[o+]c2c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-]c1ccc(-c2ccc3ccc(O)cc3[o+]2)cc1O",
        "std_free_energy": -2.862919807434082,
        "relative_population": 0.18217792125779408
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[O-]c1ccc2ccc(-c3ccc(O)c(O)c3)[o+]c2c1",
        "std_free_energy": -4.188198089599609,
        "relative_population": 0.6855778649098414
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "[O-]c1cc(-c2ccc3ccc(O)cc3[o+]2)ccc1O",
        "std_free_energy": -2.542586326599121,
        "relative_population": 0.13224421383236454
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Oc1ccc2ccc(-c3ccc(O)c(O)c3)[o+]c2c1",
        "std_free_energy": 1.0005128383636475,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.34999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]