[
  {
    "molid": "mol21456",
    "smiles": "C=C(C)CC(OC[n+]1ccn(C)c1/C=N/O)C(=C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=C(C)C[C@H](OC[n+]1ccn(C)c1/C=N/[O-])C(=C)C",
        "std_free_energy": -3.551316738128662,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C=C(C)C[C@H](OC[n+]1ccn(C)c1/C=N/O)C(=C)C",
        "std_free_energy": -5.708209991455078,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.91,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]