[
  {
    "molid": "mol34147",
    "smiles": "NCC(=O)Nc1ccccc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]CC(=O)Nc1ccccc1C(=O)[O-]",
        "std_free_energy": -10.924362182617188,
        "relative_population": 0.9998238260038832
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]CC(=O)Nc1ccccc1C(=O)O",
        "std_free_energy": -3.6740882396698,
        "relative_population": 0.9940154515153984
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.83999991416931,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]