[
  {
    "molid": "mol248",
    "smiles": "F[C@@H]1CNCC[C@H]1Cc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "F[C@@H]1CNCC[C@H]1Cc1ccccc1",
        "std_free_energy": -3.4790825843811035,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "F[C@@H]1C[NH2+]CC[C@H]1Cc1ccccc1",
        "std_free_energy": -7.692676544189453,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]