[
  {
    "molid": "mol14517",
    "smiles": "Nc1cccc2nc3ccccc3c(N)c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cccc2nc3ccccc3c(N)c12",
        "std_free_energy": -3.1620805263519287,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1c2ccccc2nc2cccc([NH3+])c12",
        "std_free_energy": -11.848913192749023,
        "relative_population": 0.10519495312400307
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1cccc2[nH+]c3ccccc3c(N)c12",
        "std_free_energy": -13.40674877166748,
        "relative_population": 0.49952163175356423
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Nc1cccc2nc3ccccc3c([NH3+])c12",
        "std_free_energy": -13.172700881958008,
        "relative_population": 0.3952834151224326
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]