[
  {
    "molid": "mol35769",
    "smiles": "N#Cc1ccc(/C=C2\\NC(=O)N(c3ccccc3)C2=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "N#Cc1ccc(/C=C2\\NC(=O)N(c3ccccc3)C2=O)cc1",
        "std_free_energy": -5.86106538772583,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "N#Cc1ccc(/C=C2\\[N-]C(=O)N(c3ccccc3)C2=O)cc1",
        "std_free_energy": -2.1206936836242676,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.0799999237061,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]