[
  {
    "molid": "mol14394",
    "smiles": "COc1cc2c(cc1OC)[C@]13CCN4C(S(=O)(=O)O)C5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 3.12,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]