[
  {
    "molid": "mol15286",
    "smiles": "Cn1c(-c2ccccc2O)nc2ccccc21",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cn1c(-c2ccccc2O)nc2ccccc21",
        "std_free_energy": -5.543004035949707,
        "relative_population": 0.9740386941217521
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cn1c(-c2ccccc2O)[nH+]c2ccccc21",
        "std_free_energy": -3.9068620204925537,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cn1c(-c2ccccc2[O-])nc2ccccc21",
        "std_free_energy": 0.1370723992586136,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.92,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.9200001,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.76,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.7600002,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 5.76000022888184,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]