0  B8R0.9  C(CC(=O)O)C(=O)CN LS41389 [0,0,0,0,0,0|2,0,2]=4
1  B7R0.4  C(CCCl)CC(=O)Cl LS40493 [1,0,0,0,0,0|2,0,1]=4
2  B7R0.4  CCCCCC(=O)Cl LS40461 [1,0,0,0,0,0|1,0,2]=4
3  B7R0.6  C(CC(=O)O)C(=O)O LS40373 [1,0,0,0,0,0|2,0,1]=4
4  B7R0.6  CC(=O)CCC(=O)O LS41171 [1,0,0,0,0,0|1,0,2]=4
5  B9R1.35  C1[C@H](CN[C@@H]1C(=O)O)O LS30143 [0,0,0,1,0,0|2,0,1]=4
6  B9R1.69  C1CC(=O)NC(=O)C1N LS20842 [0,0,0,1,0,0|2,0,0]=3
7  B9R1.69  C1CC(=O)NC(=O)C1N LS20843 [0,0,0,1,0,0|2,0,0]=3
8  B6R0.4  C(CC(=O)Cl)CCl LS40415 [2,0,0,0,0,0|2,0,0]=4
9  B6R0.4  C=CCCC(=O)O LS41473 [2,0,0,0,0,0|0,0,0]=2
10  B6R0.6  C=CCCCCO LS40909 [2,0,0,0,0,0|0,0,1]=3
11  B8R0.28  C(CC(=O)O)CC(=O)O LS41863 [1,1,0,0,0,0|1,0,0]=3
12  B8R0.29  C(CS(=O)(=O)N)C(=O)O LS41699 [1,1,0,0,0,0|2,0,0]=4
13  B8R1.7  C1C=CCC1C(=O)O LS41644 [1,0,0,1,0,0|0,0,2]=4
14  B8R1.7  C1CC(OC1)C(=O)O LS21156 [1,0,0,1,0,0|1,0,1]=4
15  B8R1.7  C1CNCC1C(=O)O LS20048 [1,0,0,1,0,0|1,0,1]=4
16  B8R1.7  C1C[C@@H](OC1)C(=O)O LS30181 [1,0,0,1,0,0|1,0,1]=4
17  B8R1.7  C1C[C@H](OC1)C(=O)O LS30180 [1,0,0,1,0,0|1,0,1]=4
18  B10R1.13  C1[C@@H](CC[C@@H](C1)N)C(=O)O LS30306 [0,0,0,1,0,1|0,0,2]=4
19  B6R0.2  C[C@@H](CC(=O)O)N LS30205 [1,0,0,0,1,0|0,0,1]=3
20  B6R0.2  C[C@H](CC(=O)O)N LS30206 [1,0,0,0,1,0|0,0,1]=3
21  B6R0.3  C=C[C@@H](C(=O)O)N LS30533 [0,0,0,0,2,0|0,0,0]=2