[
  {
    "molid": "mol38168",
    "smiles": "CCNC(CBr)C(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN[C@H](CBr)C(F)(F)F",
        "std_free_energy": -6.368059158325195,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CC[NH2+][C@H](CBr)C(F)(F)F",
        "std_free_energy": -4.128209114074707,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.22000002861023,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]