[
  {
    "molid": "mol14699",
    "smiles": "CO[C@H]1CC=C2CCN3CCC(CO)=C(CCO)[C@]23C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CO[C@H]1CC=C2CCN3CCC(CO)=C(CCO)[C@]23C1",
        "std_free_energy": -3.533010959625244,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CO[C@H]1CC=C2CC[NH+]3CCC(CO)=C(CCO)[C@]23C1",
        "std_free_energy": -8.478081703186035,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.69,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]