NC(=O)[C@@H](N)Cc1c[nH]cn1    mol5402    0_1
NC(=O)[C@@H](N)Cc1c[nH]c[nH+]1    mol5402    1_1
NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1    mol5402    1_2
NC(=O)[C@@H]([NH3+])Cc1c[nH]c[nH+]1    mol5402    2_1