[
  {
    "molid": "mol25397",
    "smiles": "Nc1cnnn1-c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cnnn1-c1ccccc1",
        "std_free_energy": -7.448905944824219,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1cn[nH+]n1-c1ccccc1",
        "std_free_energy": 5.2484941482543945,
        "relative_population": 0.32139916363453347
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1c[nH+]nn1-c1ccccc1",
        "std_free_energy": 5.105905532836914,
        "relative_population": 0.3706552800793917
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "[NH3+]c1cnnn1-c1ccccc1",
        "std_free_energy": 5.291254997253418,
        "relative_population": 0.30794555628607495
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.27,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]