[
  {
    "molid": "mol2189",
    "smiles": "Cc1nc(C(=O)O)co1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc(C(=O)O)co1",
        "std_free_energy": -4.048798561096191,
        "relative_population": 0.9565386839879373
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1[nH+]c(C(=O)O)co1",
        "std_free_energy": 6.481314659118652,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc(C(=O)[O-])co1",
        "std_free_energy": -10.247180938720703,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.59,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": -0.66,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]