[
  {
    "molid": "mol32668",
    "smiles": "C=CCN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=CC[NH+]1CC[C@]23c4c5ccc([O-])c4O[C@@H]2[C@@H](O)C=C[C@@H]3[C@H]1C5",
        "std_free_energy": -2.687993288040161,
        "relative_population": 0.11087620620430937
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C=CCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@@H](O)C=C[C@@H]3[C@H]1C5",
        "std_free_energy": -4.769815444946289,
        "relative_population": 0.8891237937956906
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C=CC[NH+]1CC[C@]23c4c5ccc(O)c4O[C@@H]2[C@@H](O)C=C[C@@H]3[C@H]1C5",
        "std_free_energy": -8.31549072265625,
        "relative_population": 0.9993060638173034
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.8299999,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]