[
  {
    "molid": "mol14768",
    "smiles": "Cc1cc(N)cc(C)c1C(=O)NCCN1CCOCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(N)cc(C)c1C(=O)NCCN1CCOCC1",
        "std_free_energy": -7.6990966796875,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(N)cc(C)c1C(=O)NCC[NH+]1CCOCC1",
        "std_free_energy": -6.223335266113281,
        "relative_population": 0.9717852891770463
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.96,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 5.96000003814697,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]