[
  {
    "molid": "mol7605",
    "smiles": "Cc1n[nH]c(NN)nc1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1n[nH]c(NN)nc1=O",
        "std_free_energy": -6.14652156829834,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1[nH+][nH]c(NN)nc1=O",
        "std_free_energy": -1.909206509590149,
        "relative_population": 0.38873502357756373
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1n[nH]c(N[NH3+])nc1=O",
        "std_free_energy": -0.13170970976352692,
        "relative_population": 0.06571985838645625
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1n[nH]c(NN)[nH+]c1=O",
        "std_free_energy": -1.8069614171981812,
        "relative_population": 0.3509531875612401
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cc1n[nH]c([NH2+]N)nc1=O",
        "std_free_energy": -1.2172132730484009,
        "relative_population": 0.19459193047473977
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1n[n-]c(NN)nc1=O",
        "std_free_energy": -0.6735149621963501,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.94,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.81,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]