[
  {
    "molid": "mol33649",
    "smiles": "C[N+](C)CCN(Cc1ccsc1)c1ccccn1",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 3.94,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]