[
  {
    "molid": "mol8866",
    "smiles": "Cc1ccccc1NN",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccccc1NN",
        "std_free_energy": -5.519198417663574,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1ccccc1N[NH3+]",
        "std_free_energy": -2.272226095199585,
        "relative_population": 0.7085812123860153
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1ccccc1[NH2+]N",
        "std_free_energy": -1.3837227821350098,
        "relative_population": 0.29141878761398476
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.32,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.32000017166138,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]