[
  {
    "molid": "mol31660",
    "smiles": "COc1ccc2c3c1OC1CC(O)C=CC31CCN(C)C2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc2c3c1O[C@H]1C[C@H](O)C=C[C@@]31CCN(C)C2",
        "std_free_energy": -3.5608134269714355,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "COc1ccc2c3c1O[C@H]1C[C@H](O)C=C[C@@]31CC[NH+](C)C2",
        "std_free_energy": -8.554079055786133,
        "relative_population": 0.9996614310150801
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.32,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]