[
  {
    "molid": "mol32672",
    "smiles": "CC=C1CN2CCC34C(=C(C(=O)OC)C1CC23)Nc1ccccc14",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC=C1CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@H]23)Nc1ccccc14",
        "std_free_energy": -5.253699779510498,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC=C1C[NH+]2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@H]23)Nc1ccccc14",
        "std_free_energy": -7.411360740661621,
        "relative_population": 0.9631524993951123
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.46,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]