[
  {
    "molid": "mol34651",
    "smiles": "c1ccc(-c2cc3nc(c2)COCCOCCOCCOCCOCCOCCOCCOC3)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1ccc(-c2cc3nc(c2)COCCOCCOCCOCCOCCOCCOCCOC3)cc1",
        "std_free_energy": -6.11130952835083,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1ccc(-c2cc3[nH+]c(c2)COCCOCCOCCOCCOCCOCCOCCOC3)cc1",
        "std_free_energy": 0.4217347502708435,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.74000000953674,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]