[
  {
    "molid": "mol24025",
    "smiles": "Nc1ccc(N(C(F)(F)F)C(F)(F)F)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccc(N(C(F)(F)F)C(F)(F)F)cc1",
        "std_free_energy": -6.693764686584473,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Nc1ccc([NH+](C(F)(F)F)C(F)(F)F)cc1",
        "std_free_energy": 1.9478453397750854,
        "relative_population": 0.5116839294587949
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]c1ccc(N(C(F)(F)F)C(F)(F)F)cc1",
        "std_free_energy": 1.9945895671844482,
        "relative_population": 0.48831607054120507
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.16,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]