[
  {
    "molid": "mol8425",
    "smiles": "Nc1nc2ccccc2c2c1ccc1ccccc12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1nc2ccccc2c2c1ccc1ccccc12",
        "std_free_energy": -5.189249038696289,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1nc2ccccc2c2c1ccc1ccccc12",
        "std_free_energy": -3.469963788986206,
        "relative_population": 0.2538985369232736
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1[nH+]c2ccccc2c2c1ccc1ccccc12",
        "std_free_energy": -4.547890663146973,
        "relative_population": 0.7461014630767264
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.64,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]