[
  {
    "molid": "mol24618",
    "smiles": "COC1=NOC2(C1)CN1CCC2CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COC1=NO[C@]2(C1)CN1CCC2CC1",
        "std_free_energy": -3.42305326461792,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COC1=NO[C@]2(C1)C[NH+]1CCC2CC1",
        "std_free_energy": -8.055071830749512,
        "relative_population": 0.9890333784351151
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.67,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]