[
  {
    "molid": "mol16141",
    "smiles": "N[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1",
        "std_free_energy": -3.468963384628296,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+][C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1",
        "std_free_energy": -7.510202407836914,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.93,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]