[
  {
    "molid": "mol14369",
    "smiles": "CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)C(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCCC[N+](C)(C)C",
    "microspecies": [],
    "macro_pka_values": [
      {
        "pka_value": 7.2,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "Datawarrior"
      }
    ]
  }
]