0  B7R0.9  CC(=O)CC(C)(C)O BBL027463 [0,0,0,0,0,0|3,0,0]=3
1  B6R0.2  CC(C)=CC(=O)Cl BBL027309 [1,0,0,0,0,0|2,0,1]=4
2  B6R0.2  CC(C)CC(=O)Cl BBL027310 [1,0,0,0,0,0|2,0,0]=3
3  B6R0.2  CC(C)CC(=O)O BBL027399 [1,0,0,0,0,0|1,0,1]=3
4  B6R0.2  CC(O)CC(=O)O BBL027467 [1,0,0,0,0,0|2,0,1]=4
5  B6R0.2  CN(C)CC(N)=S BBL029022 [1,0,0,0,0,0|1,1,1]=4
6  B6R0.5  CNCC(C)(C)C BBL023208 [1,0,0,0,0,0|3,0,0]=4
7  B6R0.5  C[N+](C)(C)CCO BBL005532 [1,0,0,0,0,0|0,0,2]=3
8  B8R0.24  CC(C)(C)OC(=O)NN BBL012740 [0,1,0,0,0,0|3,0,0]=4
9  B8R0.27  CC(C)(S)C(N)C(=O)O BBL013214 [0,1,0,0,0,0|2,0,1]=4
10  B6R0.7  CC(C)(C)C(=O)Cl BBL011382 [0,0,0,0,1,0|2,0,0]=3
11  B6R0.7  CC(C)(N)C(=O)O BBL027672 [0,0,0,0,1,0|2,0,1]=4
12  B6R0.7  CC(C)(N)C(N)=O BBL022550 [0,0,0,0,1,0|3,0,0]=4
13  B5R0.1  CC(C)CC=O BBL027631 [2,0,0,0,0,0|1,0,0]=3
14  B5R0.1  CCCC(=O)Cl BBL011417 [2,0,0,0,0,0|2,0,0]=4
15  B5R0.1  CCC[N+](=O)[O-] BBL011437 [2,0,0,0,0,0|2,0,0]=4
16  B5R0.1  CNCC(=O)O BBL009707 [2,0,0,0,0,0|0,0,2]=4
17  B5R0.1  CNCC(N)=O BBL011928 [2,0,0,0,0,0|1,0,1]=4
18  B5R0.1  COCC(=O)Cl BBL027308 [2,0,0,0,0,0|2,0,0]=4
19  B5R0.1  CSCC(C)=O BBL100878 [2,0,0,0,0,0|2,0,0]=4
20  B7R0.2  CC(C)CC(=O)NN BBL016229 [1,1,0,0,0,0|2,0,0]=4
21  B7R0.2  CNC(C)CC(N)=O BBL024637 [1,1,0,0,0,0|2,0,0]=4
22  B7R0.2  COC(=O)CC(C)C BBL011395 [1,1,0,0,0,0|1,0,1]=4
23  B7R0.16  CC(C)C(Br)C(=O)O BBL010942 [1,1,0,0,0,0|1,0,1]=4
24  B7R0.13  COC(C)(C)C(=O)O BBL013945 [0,1,0,0,1,0|1,0,1]=4
25  B9R1.66  CC1(C)CC(=O)CCO1 BBL010566 [0,1,0,1,0,0|2,0,0]=4
26  B9R1.138  CC1(C)COC(=O)C1O BBL005601 [0,1,0,1,0,0|1,0,1]=4
27  B5R0.5  CC(C)[N+](=O)[O-] BBL011484 [1,0,0,0,1,0|2,0,0]=4
28  B5R0.5  CN(C)C(=O)Cl BBL027301 [1,0,0,0,1,0|1,0,1]=4
29  B7R0.6  CC(=O)CCN(C)C BBL013551 [1,0,0,0,0,1|1,0,1]=4
30  B7R0.6  CC(C)COC(=O)Cl BBL011424 [1,0,0,0,0,1|2,0,0]=4
31  B7R0.6  CC(C)OCC(=O)O BBL031299 [1,0,0,0,0,1|1,0,1]=4