0  B8R0.28  C(CC(=O)O)CC(=O)O LS41863 [0,0,0,0,1,0|0,0,0]=1
1  B7R0.4  C(CCCl)CC(=O)Cl LS40493 [2,0,0,0,0,0|2,0,0]=4
2  B7R0.4  CCCCCC(=O)Cl LS40461 [2,0,0,0,0,0|1,0,1]=4
3  B9R0.2  C(CCCBr)CCC(=O)O LS40309 [1,1,0,0,0,0|1,0,1]=4
4  B9R0.7  C[C@H](CSC(=O)C)C(=O)O LS30262 [0,1,0,0,1,0|2,0,0]=4
5  B9R1.6  C1CC(CNC1)C(=O)O LS20781 [1,0,0,1,0,0|2,0,0]=4
6  B9R1.6  C1CCNC(C1)C(=O)O LS20780 [1,0,0,1,0,0|1,0,1]=4
7  B9R1.6  C1CCN[C@@H](C1)C(=O)O LS30195 [1,0,0,1,0,0|1,0,1]=4
8  B9R1.6  C1C[C@@H](CC=C1)C(=O)O LS00083 [1,0,0,1,0,0|1,0,1]=4
9  B9R1.48  C1CCC(=O)CC(=O)C1 LS40206 [1,0,0,1,0,0|1,0,0]=3
10  B9R1.35  C1CC(=O)N[C@H]1C(=O)O LS30084 [0,0,0,1,1,0|1,0,0]=3
11  B7R0.6  C(#CC(=O)O)C(=O)O LS40108 [0,0,0,0,2,0|0,0,2]=4
12  B7R0.6  C(CC(=O)O)C(=O)O LS40373 [0,0,0,0,2,0|0,0,0]=2
13  B7R0.6  C(CC(=O)[O-])C(=O)[O-] LS40932 [0,0,0,0,2,0|0,0,2]=4
14  B7R0.6  CC(=O)CCC(=O)O LS41171 [0,0,0,0,2,0|1,0,0]=3