0  B8R0.23  CC(=O)N[C@@H](C)C(=O)O T4839 [0,0,0,0,0,0|2,0,2]=4
1  B8R0.23  CC(C)CC(=O)C(=O)O T5071 [0,0,0,0,0,0|1,0,1]=2
2  B8R0.23  CC(C)CC(N)C(=O)O T4772 [0,0,0,0,0,0|1,0,2]=3
3  B8R0.23  CC(C)C[C@H](N)C(=O)O T3O2749 [0,0,0,0,0,0|1,0,2]=3
4  B7R0.5  CCC[C@H](N)C(=O)O T4788 [1,0,0,0,0,0|1,0,2]=4
5  B7R0.6  O=C(O)\C=C/C(=O)O T4913 [1,0,0,0,0,0|2,0,1]=4
6  B7R0.6  O=C(O)\C=C\C(=O)O BBP00430 [1,0,0,0,0,0|2,0,1]=4
7  B7R0.6  O=C(O)\C=C\C(=O)O T3763 [1,0,0,0,0,0|2,0,1]=4
8  B7R0.16  CC(C)[C@H](N)C(=O)O T2O2776 [0,0,0,0,1,0|1,0,1]=3
9  B7R0.16  C[C@@H](O)[C@H](N)C(=O)O T2O2777 [0,0,0,0,1,0|2,0,1]=4
10  B6R0.2  CC(C)=CC(=O)O BBP04714 [2,0,0,0,0,0|1,0,1]=4
11  B6R0.2  CC(C)CC(N)=O T0361 [2,0,0,0,0,0|1,0,1]=4
12  B6R0.4  CCCCC(=O)O T4792 [2,0,0,0,0,0|0,0,2]=4
13  B6R0.3  CC(CN)C(=O)O T4887 [2,0,0,0,0,0|1,0,1]=4
14  B6R0.3  CCC(=O)C(=O)O T5060 [2,0,0,0,0,0|1,0,0]=3
15  B6R0.3  C\C=C(\C)C(=O)O T3328 [2,0,0,0,0,0|0,0,0]=2
16  B8R0.27  CC(C)(S)[C@@H](N)C(=O)O T0983 [0,1,0,0,1,0|1,0,1]=4
17  B8R1.7  O=C(O)[C@@H]1CCCN1 BBP00795 [1,0,0,1,0,0|1,0,1]=4
18  B8R1.7  O=C(O)[C@@H]1CCCN1 T2O2683 [1,0,0,1,0,0|1,0,1]=4