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1  B36R4.9443840279  CC(O)C1C(=O)N2C1C(C(=C2C(=O)O)SC3CNC(C3)C(=O)NC4=CC=CC(=C4)C(=O)O)C MCULE-1042313986 [0,0,0,0,0,0|0,0,0]=0
2  B36R4.9443840279  CC(O)C1C(=O)N2C1C(C(=C2C(=O)[O-])SC3CNC(C3)C(=O)NC4=CC=CC(=C4)C(=O)[O-])C MCULE-7020244280 [0,0,0,0,0,0|0,0,2]=2
3  B36R4.9443840279  C[C@@H](O)[C@H]1C(=O)N2[C@@H]1[C@H](C(=C2C(=O)O)S[C@@H]3CN[C@@H](C3)C(=O)NC4=CC(=CC=C4)C(=O)[O-])C MCULE-2661165937 [0,0,0,0,0,0|0,0,1]=1
4  B36R4.9443840279  C[C@@H](O)[C@H]1C(=O)N2[C@@H]1[C@H](C(=C2C(=O)[O-])S[C@@H]3CN[C@@H](C3)C(=O)NC4=CC(=CC=C4)C(=O)[O-])C MCULE-2421760940 [0,0,0,0,0,0|0,0,2]=2
5  B36R4.9443840279  [C@@H]1(C(=O)N2[C@@H]1[C@H](C(=C2C(=O)O)S[C@@H]3CN[C@@H](C3)C(=O)NC4=CC(=CC=C4)C(=O)O)C)[C@@H](C)O MCULE-5050340980 [0,0,0,0,0,0|0,0,0]=0
6  B36R4.9443840279  [C@@H]1(C(=O)N2[C@@H]1[C@H](C(=C2C(=O)[O-])S[C@@H]3CN[C@@H](C3)C(=O)NC4=CC(=CC=C4)C(=O)O)C)[C@@H](C)O MCULE-2955451042 [0,0,0,0,0,0|0,0,1]=1
7  B36R4.9443840279  [C@@H]12[C@H](C(=O)N1C(=C([C@@H]2C)S[C@@H]3CN[C@@H](C3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)[C@@H](C)O MCULE-1790013827 [0,0,0,0,0,0|0,0,0]=0
8  B36R4.9443840279  [C@@H]12[C@H](C(=O)N1C(=C([C@@H]2C)S[C@@H]3CN[C@@H](C3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)[C@@H](C)O MCULE-3608847723 [0,0,0,0,0,0|0,0,0]=0