[
  {
    "molid": "mol14498",
    "smiles": "CN1c2ccccc2Nc2c(O)cccc21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN1c2ccccc2Nc2c(O)cccc21",
        "std_free_energy": -7.765537261962891,
        "relative_population": 0.999550302618411
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN1c2ccccc2Nc2c([O-])cccc21",
        "std_free_energy": -1.0704790353775024,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.26,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 9.2600002,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 9.26000022888184,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]