[
  {
    "molid": "mol13745",
    "smiles": "C1CCN(CCCN2CCCC2)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C1CCN(CCCN2CCCC2)C1",
        "std_free_energy": 0.5363897085189819,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C1CCN(CCC[NH+]2CCCC2)C1",
        "std_free_energy": -8.095916748046875,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C1CC[NH+](CCC[NH+]2CCCC2)C1",
        "std_free_energy": -11.245332717895508,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.04,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.03,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]