[
  {
    "molid": "mol34132",
    "smiles": "Cc1c(O)noc1C(C)C(N)C(=O)O",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "Cc1c(O)noc1[C@@H](C)[C@H]([NH3+])C(=O)[O-]",
        "std_free_energy": -9.259504318237305,
        "relative_population": 0.9967530769384688
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "Cc1c(O)noc1[C@@H](C)[C@H]([NH3+])C(=O)O",
        "std_free_energy": -0.5482176542282104,
        "relative_population": 0.9613446101576226
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.24000000953674,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]