[
  {
    "molid": "mol11152",
    "smiles": "CN1C(=O)C2(CCCCC2)NC1=S",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN1C(=O)C2(CCCCC2)NC1=S",
        "std_free_energy": -7.367946147918701,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN1C(=O)C2(CCCCC2)[N-]C1=S",
        "std_free_energy": 3.7660419940948486,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.23,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 11.2299995422363,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]