[
  {
    "molid": "mol4196",
    "smiles": "Cc1cc(O)nc(NN)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(O)nc(NN)n1",
        "std_free_energy": -6.121086597442627,
        "relative_population": 0.956859717195753
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1cc(O)nc(N[NH3+])n1",
        "std_free_energy": -1.1966791152954102,
        "relative_population": 0.06410076268744198
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cc1cc(O)nc([NH2+]N)n1",
        "std_free_energy": -2.366992950439453,
        "relative_population": 0.2065970127331867
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "Cc1cc(O)nc(NN)[nH+]1",
        "std_free_energy": -3.003974437713623,
        "relative_population": 0.3906263922616283
      },
      {
        "id": "1_6",
        "charge": 1,
        "smiles": "Cc1cc(O)[nH+]c(NN)n1",
        "std_free_energy": -2.86079740524292,
        "relative_population": 0.3385170810905314
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]