[
  {
    "molid": "mol16996",
    "smiles": "Fc1ccc2c(c1)N(CCCN1CCCC1)c1cc(F)ccc1CC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Fc1ccc2c(c1)N(CCCN1CCCC1)c1cc(F)ccc1CC2",
        "std_free_energy": -1.8050190210342407,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Fc1ccc2c(c1)N(CCC[NH+]1CCCC1)c1cc(F)ccc1CC2",
        "std_free_energy": -9.693466186523438,
        "relative_population": 0.9603941300160909
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.6,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 7.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]