[
  {
    "molid": "mol24811",
    "smiles": "NNC(c1ccccc1)C(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NN[C@H](c1ccccc1)C(F)(F)F",
        "std_free_energy": -5.946691989898682,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "N[NH2+][C@H](c1ccccc1)C(F)(F)F",
        "std_free_energy": -1.062018871307373,
        "relative_population": 0.628321694938959
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]N[C@H](c1ccccc1)C(F)(F)F",
        "std_free_energy": -0.5369952917098999,
        "relative_population": 0.371678305061041
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.88,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 4.88000011444092,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]