[
  {
    "molid": "mol33236",
    "smiles": "Nc1ccc(C2CCCCN2)cc1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1ccc([C@@H]2CCCC[NH2+]2)cc1",
        "std_free_energy": -10.032432556152344,
        "relative_population": 0.9878485034109608
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "[NH3+]c1ccc([C@@H]2CCCC[NH2+]2)cc1",
        "std_free_energy": -3.444626569747925,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.47,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]