[
  {
    "molid": "mol13636",
    "smiles": "ONc1ccc(O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "ONc1ccc(O)cc1",
        "std_free_energy": -7.146864891052246,
        "relative_population": 0.9999999281180973
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O[NH2+]c1ccc(O)cc1",
        "std_free_energy": 2.4328980445861816,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]Nc1ccc(O)cc1",
        "std_free_energy": 2.4994072914123535,
        "relative_population": 0.1326735288487244
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "[O-]c1ccc(NO)cc1",
        "std_free_energy": 0.6218832731246948,
        "relative_population": 0.8673264711512756
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.83,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.8299999,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.17000007629395,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.14,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]