CC(C)[C@@H]1[C@@H]2[C@H](C(=O)N1Cc1ccc(Cl)cc1)[C@H](c1ccc(C#N)cc1)N1CCC[C@@H]21    mol30049    0_1
CC(C)[C@@H]1[C@@H]2[C@H](C(=O)N1Cc1ccc(Cl)cc1)[C@H](c1ccc(C#[NH+])cc1)N1CCC[C@@H]21    mol30049    1_1
CC(C)[C@@H]1[C@@H]2[C@H](C(=O)N1Cc1ccc(Cl)cc1)[C@H](c1ccc(C#N)cc1)[NH+]1CCC[C@@H]21    mol30049    1_2
CC(C)[C@@H]1[C@@H]2[C@H](C(=[OH+])N1Cc1ccc(Cl)cc1)[C@H](c1ccc(C#N)cc1)N1CCC[C@@H]21    mol30049    1_3