[
  {
    "molid": "mol26740",
    "smiles": "Nc1ccc(/C=C/c2cccc3cc4ccccc4nc23)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(/C=C/c2cccc3cc4ccccc4nc23)cc1",
        "std_free_energy": -5.3893938064575195,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1ccc(/C=C/c2cccc3cc4ccccc4nc23)cc1",
        "std_free_energy": -2.921703815460205,
        "relative_population": 0.47758425810167066
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1ccc(/C=C/c2cccc3cc4ccccc4[nH+]c23)cc1",
        "std_free_energy": -3.0114269256591797,
        "relative_population": 0.5224157418983295
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]