[
  {
    "molid": "mol37873",
    "smiles": "CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H](C2[C@H]5O)[N@@+]3(C)[C@@H]1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5O)[N@@+]3(C)[C@@H]1[O-]",
        "std_free_energy": -5.561130523681641,
        "relative_population": 0.9998491084911758
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@H]2[C@H]5O)[N@@+]3(C)[C@@H]1O",
        "std_free_energy": -8.025769233703613,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.19999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]