[
  {
    "molid": "mol19722",
    "smiles": "c1cnc2c(c1)C[C@@]1(CN3CCC1CC3)O2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1cnc2c(c1)C[C@@]1(CN3CCC1CC3)O2",
        "std_free_energy": -3.8871142864227295,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "c1cnc2c(c1)C[C@@]1(C[NH+]3CCC1CC3)O2",
        "std_free_energy": -8.61437702178955,
        "relative_population": 0.9969721469827194
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]