C[NH+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1    mol16113    1_1
CN1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1[nH]c2ccccc2[nH+]1    mol16113    1_2
C[NH+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C[C@@H]1c1[nH]c2ccccc2[nH+]1    mol16113    2_1