[
  {
    "molid": "mol34932",
    "smiles": "CC1(P(=O)(O)c2ccccc2)CCC(=O)N1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@]1([P@@](=O)(O)c2ccccc2)CCC(=O)N1",
        "std_free_energy": -2.8016347885131836,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[C@@]1([P@@](=O)(O)c2ccccc2)CCC(=[OH+])N1",
        "std_free_energy": 6.911170959472656,
        "relative_population": 0.9923844173654304
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.60000002384186,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]