[
  {
    "molid": "mol35044",
    "smiles": "C=CC(=O)NC(C)(C)CCN1CCOCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C=CC(=O)NC(C)(C)CCN1CCOCC1",
        "std_free_energy": -5.377652168273926,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C=CC(=O)NC(C)(C)CC[NH+]1CCOCC1",
        "std_free_energy": -7.377910614013672,
        "relative_population": 0.9949340735608375
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.23000001907349,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]