0  B27R3.368466829  [C@H]12SCC(C)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=C(O)C=C3 LT4407 [0,0,0,0,0,0|0,0,0]=0
1  B26R3.23654886  C12SCC(C)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3 LT4440 [1,0,0,0,0,0|0,0,0]=1
2  B26R3.23654886  CC1=C(C(=O)O)N2C(=O)C(NC(=O)C(N)C3=CC=CC=C3)[C@H]2SC1 RT10445 [1,0,0,0,0,0|0,0,0]=1
3  B26R3.23654886  [C@H]12SC=C(C)C(C(=O)O)N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3 RT4169 [1,0,0,0,0,0|0,0,2]=3
4  B26R3.23654886  [C@H]12SCC(C)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CCC=CC3 RT19741 [1,0,0,0,0,0|0,0,2]=3
5  B27R3.257345496  [C@@H]12[C@H](NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)N1C(C(=O)O)=C(C)CS2=O RT3876 [1,1,0,0,0,0|0,0,1]=3
6  B27R3.532315076  [C@H]12SCC(C)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3O RT3878 [1,1,0,0,0,0|0,0,0]=2
7  B27R3.368466399  [C@@H]1(NC(=O)[C@H](N)C2=CC=C(O)C=C2)C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@@H]31 LQ4576 [0,1,0,0,1,0|0,0,2]=4
8  B29R3.60360606  [C@H]12SCC(\C=C\C)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)C(N)C3=CC=C(O)C=C3 RT10267 [0,2,0,0,0,0|0,0,0]=2
9  B29R3.60360606  [C@H]12SCC(\C=C\C)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=C(O)C=C3 RT10380 [0,2,0,0,0,0|0,0,0]=2