[
  {
    "molid": "mol14363",
    "smiles": "CCCCN(C(=O)c1cccc(O)c1)c1ccc(/N=N/c2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc1",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "CCCCN(C(=O)c1cccc(O)c1)c1ccc(/N=N/c2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc1",
        "std_free_energy": -6.7324018478393555,
        "relative_population": 0.9999999928853913
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCN(C(=O)c1cccc([O-])c1)c1ccc(/N=N/c2ccc3c(c2)OCCOCCOCCOCCOCCO3)cc1",
        "std_free_energy": 0.27225667238235474,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.54,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]