[
  {
    "molid": "mol35233",
    "smiles": "NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]CC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]",
        "std_free_energy": -11.34711742401123,
        "relative_population": 0.9999098702282238
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]CC(=O)N1CCC[C@H]1C(=O)NCC(=O)O",
        "std_free_energy": -3.290541172027588,
        "relative_population": 0.9817083609984314
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.36999988555908,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]