[
  {
    "molid": "mol34258",
    "smiles": "COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1[C@@H](N)CC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1[C@@H](N)CC2",
        "std_free_energy": -2.927009105682373,
        "relative_population": 0.25732194984594914
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1cc2c(c(OC)c1OC)-c1ccc([O-])c(=O)cc1[C@@H]([NH3+])CC2",
        "std_free_energy": -3.9869437217712402,
        "relative_population": 0.7426780501540509
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1[C@@H]([NH3+])CC2",
        "std_free_energy": -6.054100513458252,
        "relative_population": 0.9934144200224032
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.48999977111816,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]