[
  {
    "molid": "mol17769",
    "smiles": "O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)CC(C2CCCCC2)NC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)C[C@H](C2CCCCC2)NC1=O",
        "std_free_energy": -5.7899065017700195,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(Nc1ccc(C2CCCCC2)cc1)C1=C([O-])C[C@H](C2CCCCC2)NC1=O",
        "std_free_energy": -2.5393218994140625,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]