[
  {
    "molid": "mol35151",
    "smiles": "CCC1(c2ccccc2)C(=O)NC(=O)N=C1OC(C)C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC[C@]1(c2ccccc2)C(=O)NC(=O)N=C1OC(C)C",
        "std_free_energy": -5.894970893859863,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[C@]1(c2ccccc2)C(=O)[N-]C(=O)N=C1OC(C)C",
        "std_free_energy": -4.216087341308594,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.05000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]