[
  {
    "molid": "mol32658",
    "smiles": "CN1CCC23c4c5ccc(O)c4OC2C(O)CCC3C1C5",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH+]1CC[C@]23c4c5ccc([O-])c4O[C@H]2[C@H](O)CC[C@@H]3[C@H]1C5",
        "std_free_energy": -2.865691661834717,
        "relative_population": 0.32309590710861447
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](O)CC[C@@H]3[C@H]1C5",
        "std_free_energy": -3.605272054672241,
        "relative_population": 0.6769040928913855
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CN1CC[C@]23c4c5ccc([O-])c4O[C@H]2[C@H](O)CC[C@@H]3[C@H]1C5",
        "std_free_energy": 4.041009902954102,
        "relative_population": 0.9711244000721814
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.9399996,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]