[
  {
    "molid": "mol37715",
    "smiles": "N[C@H](CCC[C@H](N)C(=O)O)C(=O)NNC(=O)Oc1ccccc1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+][C@H](CCC[C@H]([NH3+])C(=O)[O-])C(=O)NNC(=O)Oc1ccccc1",
        "std_free_energy": -11.031730651855469,
        "relative_population": 0.9996831565637632
      },
      {
        "id": "2_6",
        "charge": 2,
        "smiles": "[NH3+][C@H](CCC[C@H]([NH3+])C(=O)O)C(=O)NNC(=O)Oc1ccccc1",
        "std_free_energy": -0.23335933685302734,
        "relative_population": 0.9999087049539801
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.09999990463257,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]