0  B26R3.23654886  CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1 Amb9786236 [0,0,0,0,0,0|0,0,0]=0
1  B26R3.23654886  CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@@H]2SC1 Amb34915556 [0,0,0,0,0,0|0,0,2]=2
2  B26R3.23654886  CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1 Amb8385702 [0,0,0,0,0,0|0,0,2]=2
3  B26R3.23654886  CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@@H]2SC1 Amb34915417 [0,0,0,0,0,0|0,0,0]=0
4  B26R3.23654886  CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1 Amb22735249 [0,0,0,0,0,0|0,0,0]=0
5  B26R3.23654886  CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1 Amb533614 [0,0,0,0,0,0|0,0,0]=0
6  B26R3.23654886  N[C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@@H]12)c3ccccc3 Amb19131142 [0,0,0,0,0,0|1,0,0]=1
7  B26R3.23654886  [NH3+]C(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CSC12)c3ccccc3 Amb10845647 [0,0,0,0,0,0|1,0,1]=2
8  B25R3.18492161  CC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3ccccc3)C2SC1 Amb1865594 [1,0,0,0,0,0|0,0,0]=1
9  B27R3.368466829  CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1 Amb533676 [0,1,0,0,0,0|0,0,0]=1
10  B26R3.529849969  CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O Amb6887773 [0,1,0,0,1,0|0,0,2]=4
11  B26R3.529849969  CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O Amb24121392 [0,1,0,0,1,0|0,0,2]=4
12  B26R3.529849969  CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O Amb533613 [0,1,0,0,1,0|0,0,2]=4
13  B26R3.529849969  CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O Amb6355354 [0,1,0,0,1,0|0,0,2]=4
14  B26R3.529849969  CC1(C)S[C@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@@H]1C(=O)O Amb34916682 [0,1,0,0,1,0|0,0,2]=4
15  B26R3.23654896  CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)OCc3ccccc3)[C@H]2SC1 Amb33803452 [1,0,0,0,0,1|0,0,0]=2
16  B26R3.23654896  O=C(COc1ccccc1)NC2C(=O)N3C(C(=O)O)=C(Cl)CSC23 Amb1865593 [1,0,0,0,0,1|1,0,0]=3