[
  {
    "molid": "mol36937",
    "smiles": "OC[C@H]1O[C@@H](CNCC(F)(F)F)[C@H](O)[C@@H](O)[C@H]1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "OC[C@H]1O[C@@H](CNCC(F)(F)F)[C@H](O)[C@@H](O)[C@H]1O",
        "std_free_energy": -6.797479629516602,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "OC[C@H]1O[C@@H](C[NH2+]CC(F)(F)F)[C@H](O)[C@@H](O)[C@H]1O",
        "std_free_energy": -3.6299591064453125,
        "relative_population": 0.8774871238151853
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.69999980926514,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]