[
  {
    "molid": "mol34393",
    "smiles": "COc1ccc(NC(=S)CC(C)=O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(NC(=S)CC(C)=O)cc1",
        "std_free_energy": -5.291972637176514,
        "relative_population": 0.9999999086435237
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc([N-]C(=S)CC(C)=O)cc1",
        "std_free_energy": -1.7502206563949585,
        "relative_population": 0.8325085964961146
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "COc1ccc(NC(=S)[CH-]C(C)=O)cc1",
        "std_free_energy": -0.1426089107990265,
        "relative_population": 0.166806057018653
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.82999992370606,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]