0  B6R0.5  C(CCl)S(=O)(=O)Cl LS20767 [0,0,0,0,0,0|2,0,0]=2
1  B6R0.5  CCCS(=O)(=O)Cl LS40243 [0,0,0,0,0,0|2,0,0]=2
2  B6R0.5  CS(=O)(=O)CCN LS40305 [0,0,0,0,0,0|2,0,0]=2
3  B5R0.1  B(CCC)(O)O LS11148 [1,0,0,0,0,0|2,0,1]=4
4  B5R0.1  C(CCl)C(=O)Cl LS40026 [1,0,0,0,0,0|3,0,0]=4
5  B5R0.1  C(CO)C(=O)O LS40008 [1,0,0,0,0,0|1,1,0]=3
6  B5R0.1  C(CO)[N+](=O)[O-] LS40399 [1,0,0,0,0,0|1,1,1]=4
7  B5R0.1  CCC[C@@H](C)O LS30259 [1,0,0,0,0,0|3,0,0]=4
8  B5R0.1  CCC[C@H](C)O LS30258 [1,0,0,0,0,0|3,0,0]=4
9  B5R0.4  CNS(=O)(=O)C LS40122 [1,0,0,0,0,0|2,0,0]=3
10  B5R0.4  NOS(=O)(=O)O LS40462 [1,0,0,0,0,0|2,0,0]=3
11  B7R0.8  C(CN)CP(=O)(O)O LS40178 [0,1,0,0,0,0|2,0,1]=4
12  B7R0.8  C(CN)CS(=O)(=O)O LS41859 [0,1,0,0,0,0|1,0,0]=2
13  B7R0.8  C(CS(=O)(=O)Cl)CCl LS20768 [0,1,0,0,0,0|2,0,0]=3
14  B7R0.11  CCCS(=O)(=O)OC LS41895 [0,1,0,0,0,0|1,0,0]=2
15  B7R1.14  C1C=CS(=O)(=O)O1 LS40134 [0,0,0,1,0,0|1,0,2]=4
16  B7R1.14  C1COS(=O)(=O)C1 LS40762 [0,0,0,1,0,0|1,0,0]=2
17  B4R0.1  B(CC)(O)O LS11146 [2,0,0,0,0,0|1,0,1]=4
18  B4R0.1  CC[C@@H](C)O LS30261 [2,0,0,0,0,0|2,0,0]=4
19  B4R0.1  CC[C@H](C)O LS30260 [2,0,0,0,0,0|2,0,0]=4
20  B4R0.2  C(CO)CF LS40656 [2,0,0,0,0,0|2,0,0]=4
21  B4R0.3  NS(=O)(=O)N LS41190 [2,0,0,0,0,0|2,0,0]=4
22  B4R0.3  [O-]S(=O)(=O)[O-] LS41737 [2,0,0,0,0,0|0,1,1]=4
23  B4R0.3  [O-]S(=O)(=O)[O-] LS41955 [2,0,0,0,0,0|0,1,1]=4
24  B4R0.3  [O-]S(=O)(=O)[O-] LS60310 [2,0,0,0,0,0|0,1,1]=4
25  B6R0.2  C[C@@H](CC(=O)O)N LS30205 [1,1,0,0,0,0|2,0,0]=4
26  B6R0.2  C[C@H](CC(=O)O)N LS30206 [1,1,0,0,0,0|2,0,0]=4
27  B6R0.3  CC[C@@H](C(=O)O)O LS30082 [1,1,0,0,0,0|2,0,0]=4
28  B6R0.4  C=CCCC(=O)O LS41473 [1,1,0,0,0,0|2,0,0]=4
29  B8R0.29  C(CS(=O)(=O)N)C(=O)O LS41699 [0,2,0,0,0,0|1,1,0]=4
30  B6R1.2  C1CC(=O)OC1 LS40356 [1,0,0,1,0,0|2,0,0]=4
31  B6R1.2  C1CSCC1=O LS40268 [1,0,0,1,0,0|2,0,0]=4
32  B6R1.11  C1CC1C(=O)O LS41647 [1,0,0,1,0,0|2,0,0]=4
33  B8R1.72  C1CS(=O)(=O)CCN1 LS00030 [0,1,0,1,0,0|2,0,0]=4