[
  {
    "molid": "mol4195",
    "smiles": "Cc1cc(=O)n(C)c(NN)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(=O)n(C)c(NN)n1",
        "std_free_energy": -6.008190155029297,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc(=O)n(C)c([NH2+]N)n1",
        "std_free_energy": -1.4275792837142944,
        "relative_population": 0.19916430255517328
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc(=O)n(C)c(N[NH3+])n1",
        "std_free_energy": -0.09743132442235947,
        "relative_population": 0.05266663619376577
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1cc(=O)n(C)c(NN)[nH+]1",
        "std_free_energy": -2.7510781288146973,
        "relative_population": 0.7481690612510609
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]