[
  {
    "molid": "mol16771",
    "smiles": "CN(C)C(=N)NCCCCCCCCCCCCNC(=N)N(C)C",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)C(=[N-])NCCCCCCCCCCCCNC(=N)N(C)C",
        "std_free_energy": 11.441627502441406,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CN(C)C(=[N-])NCCCCCCCCCCCCNC(=[N-])N(C)C",
        "std_free_energy": 16.350841522216797,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 14.1,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Baltruschat ChEMBL"
      }
    ]
  }
]