[
  {
    "molid": "mol38532",
    "smiles": "Cn1cnc(CC(N)C(=O)O)c1",
    "microspecies": [
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cn1c[nH+]c(C[C@H]([NH3+])C(=O)[O-])c1",
        "std_free_energy": -11.153100967407227,
        "relative_population": 0.9996037821082249
      },
      {
        "id": "2_3",
        "charge": 2,
        "smiles": "Cn1c[nH+]c(C[C@H]([NH3+])C(=O)O)c1",
        "std_free_energy": 0.0870189368724823,
        "relative_population": 0.999968206663356
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.69000005722046,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]