[
  {
    "molid": "mol11697",
    "smiles": "ON(N=Nc1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "ON(N=Nc1ccccc1)c1ccccc1",
        "std_free_energy": -4.870003700256348,
        "relative_population": 0.9998679715963785
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]N(N=Nc1ccccc1)c1ccccc1",
        "std_free_energy": -5.435796737670898,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.41,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 11.55,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 11.6000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 11.5500001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]