[
  {
    "molid": "mol6300",
    "smiles": "Nc1ccc2ccccc2c1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc2ccccc2c1N",
        "std_free_energy": -6.291941165924072,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1ccc2ccccc2c1[NH3+]",
        "std_free_energy": -1.646186113357544,
        "relative_population": 0.5316883611484037
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1c([NH3+])ccc2ccccc12",
        "std_free_energy": -1.5192625522613525,
        "relative_population": 0.4683116388515962
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.76,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]