[
  {
    "molid": "mol33950",
    "smiles": "COc1cc2c(c(OC)c1O)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1cc2c(c(OC)c1O)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2",
        "std_free_energy": -5.747983932495117,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc2c(c(OC)c1[O-])-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2",
        "std_free_energy": -1.0329089164733887,
        "relative_population": 0.9911605401315177
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]