[
  {
    "molid": "mol38203",
    "smiles": "Cc1cc([C@H](N)CO)c(O)c([C@H](N)CO)c1",
    "microspecies": [
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc([C@H](N)CO)c(O)c([C@H]([NH3+])CO)c1",
        "std_free_energy": -8.830473899841309,
        "relative_population": 0.9679335351026559
      },
      {
        "id": "2_4",
        "charge": 2,
        "smiles": "Cc1cc([C@H]([NH3+])CO)c(O)c([C@H]([NH3+])CO)c1",
        "std_free_energy": -8.510101318359375,
        "relative_population": 0.9999456822077754
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.30000019073486,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]