0  B9R0.7  C[C@H](CSC(=O)C)C(=O)O LS30262 [0,0,0,0,0,0|3,0,0]=3
1  B8R0.8  CSCC[C@@H](C(=O)[O-])N LS41069 [1,0,0,0,0,0|2,0,1]=4
2  B8R0.28  C(CC(=O)O)CC(=O)O LS41863 [1,0,0,0,0,0|0,0,0]=1
3  B10R0.93  C(C(=O)O)(O)SC(C(=O)O)O LS40368 [0,1,0,0,0,0|2,0,0]=3
4  B7R0.5  C(CN)C(C(=O)O)N LS40104 [2,0,0,0,0,0|1,0,0]=3
5  B7R0.5  CCC[C@@H](C(=O)O)N LS30304 [2,0,0,0,0,0|0,0,1]=3
6  B7R0.6  C(CC(=O)O)C(=O)O LS40373 [2,0,0,0,0,0|1,0,1]=4
7  B7R0.6  CC(=O)CCC(=O)O LS41171 [2,0,0,0,0,0|1,0,1]=4
8  B9R1.6  C1CCNC(C1)C(=O)O LS20780 [1,0,0,1,0,0|1,0,1]=4
9  B9R1.6  C1CCN[C@@H](C1)C(=O)O LS30195 [1,0,0,1,0,0|1,0,1]=4
10  B9R1.6  C1C[C@@H](CC=C1)C(=O)O LS00083 [1,0,0,1,0,0|2,0,0]=4
11  B9R1.35  C1CC(=O)N[C@H]1C(=O)O LS30084 [1,0,0,1,0,0|0,0,0]=2
12  B9R1.69  C1CC(=O)NC(=O)C1N LS20842 [1,0,0,1,0,0|1,0,0]=3
13  B9R1.69  C1CC(=O)NC(=O)C1N LS20843 [1,0,0,1,0,0|1,0,0]=3
14  B7R0.16  CC(C(=O)O)C(=O)O LS41650 [0,0,0,0,2,0|1,0,0]=3