[
  {
    "molid": "mol26849",
    "smiles": "NC(=O)CC(=O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)CC(=O)c1ccccc1",
        "std_free_energy": -6.001363754272461,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[NH-]C(=O)CC(=O)c1ccccc1",
        "std_free_energy": 1.3185832500457764,
        "relative_population": 0.22290959303991018
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "NC(=O)[CH-]C(=O)c1ccccc1",
        "std_free_energy": 0.06979282945394516,
        "relative_population": 0.7770904069600899
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.039999961853,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 10.04,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]