0  B9R0.7  CC(S)C(=O)NCC(=O)O T3176 [0,0,0,0,0,0|0,0,2]=2
1  B9R0.7  CC(S)C(=O)NCC(=O)O T3176 [0,0,0,0,0,0|0,0,2]=2
2  B8R0.9  NCC(=O)CCC(=O)O A4094 [1,0,0,0,0,0|2,0,1]=4
3  B8R0.9  NCC(=O)CCC(=O)O A4094 [1,0,0,0,0,0|2,0,1]=4
4  B8R0.9  NCC(=O)NCC(=O)O G0812 [1,0,0,0,0,0|1,0,2]=4
5  B7R0.6  C(NC(C)=O)C(=O)O A1250 [2,0,0,0,0,0|0,0,2]=4
6  B7R0.2  CCC(N)CC(=O)O A14449 [1,0,0,0,1,0|1,0,1]=4
7  B7R0.2  CCC(N)CC(=O)O A18198 [1,0,0,0,1,0|1,0,1]=4
8  B7R0.2  CC[C@@H](N)CC(=O)O A18229 [1,0,0,0,1,0|1,0,1]=4
9  B7R0.2  CC[C@H](C)CC(=O)O M13871 [1,0,0,0,1,0|1,0,1]=4
10  B7R0.2  NC[C@@H](O)CC(=O)O A2622 [1,0,0,0,1,0|1,0,1]=4
11  B7R0.16  CC(C)[C@H](O)C(=O)O H12825 [0,0,0,0,2,0|1,0,1]=4