[
  {
    "molid": "mol14287",
    "smiles": "CN(C)CCCCCCNC(=O)/C=N/O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[NH+](C)CCCCCCNC(=O)/C=N/[O-]",
        "std_free_energy": -3.7834746837615967,
        "relative_population": 0.7831654322353065
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CN(C)CCCCCCNC(=O)/C=N/O",
        "std_free_energy": -2.499265432357788,
        "relative_population": 0.21683456776469348
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[NH+](C)CCCCCCNC(=O)/C=N/O",
        "std_free_energy": -9.781396865844727,
        "relative_population": 0.9767760163388498
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CN(C)CCCCCCNC(=O)/C=N/[O-]",
        "std_free_energy": 5.118557929992676,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.43,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 8.93,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]