[
  {
    "molid": "mol8363",
    "smiles": "CNc1ncnc2nnn(C)c12",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNc1ncnc2nnn(C)c12",
        "std_free_energy": -7.513089179992676,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CNc1nc[nH+]c2nnn(C)c12",
        "std_free_energy": 1.6935991048812866,
        "relative_population": 0.28041839559610177
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CNc1ncnc2n[nH+]n(C)c12",
        "std_free_energy": 2.0938870906829834,
        "relative_population": 0.1879159469273617
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "C[NH2+]c1ncnc2nnn(C)c12",
        "std_free_energy": 2.322655439376831,
        "relative_population": 0.14948953992847155
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "CNc1[nH+]cnc2nnn(C)c12",
        "std_free_energy": 1.7651350498199463,
        "relative_population": 0.26105909854715903
      },
      {
        "id": "1_5",
        "charge": 1,
        "smiles": "CNc1ncnc2[nH+]nn(C)c12",
        "std_free_energy": 2.5331246852874756,
        "relative_population": 0.12111701900090605
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.74,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]