[
  {
    "molid": "mol7679",
    "smiles": "Cn1nnnc1N1CCCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cn1nnnc1N1CCCCC1",
        "std_free_energy": -7.103789329528809,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cn1nnnc1[NH+]1CCCCC1",
        "std_free_energy": 4.6816487312316895,
        "relative_population": 0.6867735852332623
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cn1[nH+]nnc1N1CCCCC1",
        "std_free_energy": 7.127148628234863,
        "relative_population": 0.05953145156604739
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cn1nn[nH+]c1N1CCCCC1",
        "std_free_energy": 5.7980852127075195,
        "relative_population": 0.2248802832524532
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]