[
  {
    "molid": "mol35490",
    "smiles": "Cc1cc2nc3ccc(N)cc3nc2cc1N",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc2nc3ccc(N)cc3nc2cc1N",
        "std_free_energy": -7.6441121101379395,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cc2nc3ccc(N)cc3nc2cc1[NH3+]",
        "std_free_energy": -4.665423393249512,
        "relative_population": 0.06760154703497533
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cc2nc3ccc([NH3+])cc3nc2cc1N",
        "std_free_energy": -4.673240661621094,
        "relative_population": 0.06813207741796411
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1cc2nc3ccc(N)cc3[nH+]c2cc1N",
        "std_free_energy": -7.034445285797119,
        "relative_population": 0.7224532850077141
      },
      {
        "id": "1_4",
        "charge": 1,
        "smiles": "Cc1cc2[nH+]c3ccc(N)cc3nc2cc1N",
        "std_free_energy": -5.406302452087402,
        "relative_population": 0.14181309053934632
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.30000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]