[
  {
    "molid": "mol35748",
    "smiles": "O=C1CC(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1CC(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1",
        "std_free_energy": -4.688248157501221,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=c1[cH-]c(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1",
        "std_free_energy": -4.366588592529297,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.01000022888184,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]