[
  {
    "molid": "mol8873",
    "smiles": "NNc1cccc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NNc1cccc2ccccc12",
        "std_free_energy": -5.762759208679199,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]Nc1cccc2ccccc12",
        "std_free_energy": -1.6062755584716797,
        "relative_population": 0.7133763698453749
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "N[NH2+]c1cccc2ccccc12",
        "std_free_energy": -0.6944363713264465,
        "relative_population": 0.28662363015462516
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.06,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.59999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]