[
  {
    "molid": "mol24591",
    "smiles": "Cc1cc(C2CC3CCC2N3)on1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc([C@@H]2C[C@H]3CC[C@@H]2N3)on1",
        "std_free_energy": -1.7056843042373657,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc([C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)on1",
        "std_free_energy": -8.800514221191406,
        "relative_population": 0.9971286340750971
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.91,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]