[
  {
    "molid": "mol34171",
    "smiles": "CN(CC(=O)O)C(=O)c1ccccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CN(CC(=O)[O-])C(=O)c1cccc[nH+]1",
        "std_free_energy": -3.185093879699707,
        "relative_population": 0.28973561604486064
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(CC(=O)O)C(=O)c1ccccn1",
        "std_free_energy": -4.081762313842773,
        "relative_population": 0.7102643839551395
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(CC(=O)[O-])C(=O)c1ccccn1",
        "std_free_energy": -11.954644203186035,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.29999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]