[
  {
    "molid": "mol8397",
    "smiles": "CC1N2CCCN1c1ccccc1C2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H]1N2CCCN1c1ccccc1C2",
        "std_free_energy": -4.396871566772461,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[C@@H]1N2CCC[NH+]1Cc1ccccc12",
        "std_free_energy": -7.090717315673828,
        "relative_population": 0.9629242507429082
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]