[
  {
    "molid": "mol36833",
    "smiles": "CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C(=O)C(CCCCN)NC(=O)CCCCC[N+](C)(C)C",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 9.30000019073486,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]