[
  {
    "molid": "mol12592",
    "smiles": "NC(=O)/C=C(\\O)c1ccccn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)/C=C(\\O)c1ccccn1",
        "std_free_energy": -0.19867584109306335,
        "relative_population": 0.7297595519013215
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "NC(=O)/C=C(\\[O-])c1cccc[nH+]1",
        "std_free_energy": 0.7947271466255188,
        "relative_population": 0.2702404480986785
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "NC(=O)/C=C(\\[O-])c1ccccn1",
        "std_free_energy": 0.30278342962265015,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.23,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      }
    ]
  }
]