[
  {
    "molid": "mol36702",
    "smiles": "COc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)NC2OC(CC(=O)O)C(O)C(O)C2O)C(=O)N[C@H](Cc2ccc(C(=N)N)cc2)C(=O)N2CCCCC2)c(C)c1C",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 10.1999998092651,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]