[
  {
    "molid": "mol8871",
    "smiles": "Cc1cccc(N(C)N)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cccc(N(C)N)c1",
        "std_free_energy": -5.38243293762207,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccc([NH+](C)N)c1",
        "std_free_energy": -2.4152987003326416,
        "relative_population": 0.4025707761518307
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Cc1cccc(N(C)[NH3+])c1",
        "std_free_energy": -2.810063600540161,
        "relative_population": 0.5974292238481692
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.09,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.90000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]