[
  {
    "molid": "mol16093",
    "smiles": "CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(F)c(N3CCOCC3)cc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(F)c(N3CCOCC3)cc21",
        "std_free_energy": -7.85279655456543,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(F)c([NH+]3CCOCC3)cc21",
        "std_free_energy": -2.2040672302246094,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.63,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]