[
  {
    "molid": "mol24592",
    "smiles": "CN1CCN(c2ncccn2)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1CCN(c2ncccn2)CC1",
        "std_free_energy": -5.607138156890869,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[NH+]1CCN(c2ncccn2)CC1",
        "std_free_energy": -8.610503196716309,
        "relative_population": 0.9452826772318276
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.48000001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.58,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]