[
  {
    "molid": "mol34222",
    "smiles": "NCC(=O)Nc1cccc(C(=O)O)c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]CC(=O)Nc1cccc(C(=O)[O-])c1",
        "std_free_energy": -11.107117652893066,
        "relative_population": 0.9998922200760281
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]CC(=O)Nc1cccc(C(=O)O)c1",
        "std_free_energy": -3.8079617023468018,
        "relative_population": 0.9995496425624054
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.50999999046326,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]