[
  {
    "molid": "mol31931",
    "smiles": "CCN(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(CC)Cc1ccccc1C(F)(F)F)Cc1ccccc1C(F)(F)F",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCN(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(CC)Cc1ccccc1C(F)(F)F)Cc1ccccc1C(F)(F)F",
        "std_free_energy": -4.195546627044678,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CCN(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCC[NH+](CC)Cc1ccccc1C(F)(F)F)Cc1ccccc1C(F)(F)F",
        "std_free_energy": -7.014808654785156,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.15,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]