[
  {
    "molid": "mol10383",
    "smiles": "N#[N+]c1cccc(C(=O)O)c1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "N#[N+]c1cccc(C(=O)O)c1",
        "std_free_energy": 9.295660018920898,
        "relative_population": 1.0
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "N#[N+]c1cccc(C(O)=[OH+])c1",
        "std_free_energy": 21.299598693847656,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.55,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]