[
  {
    "molid": "mol19240",
    "smiles": "Nc1n[nH]c(CCCNOC(=O)CN(C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)C2CCCC2)n1",
    "microspecies": [
      {
        "id": "0_5",
        "charge": 0,
        "smiles": "Nc1n[nH]c(CCCNOC(=O)CN(C(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])C2CCCC2)n1",
        "std_free_energy": -10.152176856994629,
        "relative_population": 0.9535654020330747
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Nc1n[nH]c(CCCNOC(=O)CN(C(=O)[C@@H](CC2CCCCC2)NCC(=O)[O-])C2CCCC2)n1",
        "std_free_energy": -7.931565284729004,
        "relative_population": 0.999948304973273
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]