[
  {
    "molid": "mol8376",
    "smiles": "NNc1c2ccccc2nc2ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NNc1c2ccccc2nc2ccccc12",
        "std_free_energy": -3.8950047492980957,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "NNc1c2ccccc2[nH+]c2ccccc12",
        "std_free_energy": -9.444744110107422,
        "relative_population": 0.47379937905940683
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]Nc1c2ccccc2nc2ccccc12",
        "std_free_energy": -7.954545021057129,
        "relative_population": 0.10676016735529034
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "N[NH2+]c1c2ccccc2nc2ccccc12",
        "std_free_energy": -9.322881698608398,
        "relative_population": 0.41944045358530274
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.1,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.09999990463257,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]