[
  {
    "molid": "mol24645",
    "smiles": "CCCOC1=NOC2(C1)CN1CCC2CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCOC1=NO[C@]2(C1)CN1CCC2CC1",
        "std_free_energy": -3.8970518112182617,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CCCOC1=NO[C@]2(C1)C[NH+]1CCC2CC1",
        "std_free_energy": -7.850094795227051,
        "relative_population": 0.9869471429713319
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.59,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]