0  B7R0.3  CCC(C)CCCO NPA009905 [0,0,0,0,0,0|3,0,1]=4
1  B6R0.1  CCCC(=O)CC NPA012016 [1,0,0,0,0,0|0,0,0]=1
2  B6R0.4  CC(=O)CCSC NPA010578 [1,0,0,0,0,0|2,0,0]=3
3  B8R0.6  CCCCC[C@@H](CC)O NPA002709 [0,1,0,0,0,0|1,0,2]=4
4  B8R0.9  CCC(=O)CCC(=O)C NPA013026 [0,1,0,0,0,0|1,0,1]=3
5  B8R1.1  CCC1CC(=O)OC1 NPA004245 [0,0,0,1,0,0|2,0,0]=3
6  B8R1.22  C1CC=CCC(=O)C1 NPA016451 [0,0,0,1,0,0|1,0,2]=4
7  B8R1.52  C1C[C@@](OC1)(CO)O NPA010903 [0,0,0,1,0,0|1,0,2]=4
8  B5R0.1  C(CO)C(=O)O NPA014979 [2,0,0,0,0,0|2,0,0]=4
9  B5R0.1  C=C(C)CCO NPA031414 [2,0,0,0,0,0|2,0,0]=4
10  B7R0.5  CCOC(=O)C(C)C NPA012370 [1,1,0,0,0,0|0,0,0]=2
11  B7R0.10  CCC(C)C(=O)OC NPA003841 [1,1,0,0,0,0|1,0,0]=3
12  B7R0.6  CC(=O)NCC(C)C NPA028554 [1,1,0,0,0,0|1,0,0]=3
13  B7R0.6  CC(C)CNS(=O)C NPA028557 [1,1,0,0,0,0|2,0,0]=4
14  B7R0.6  CC(C)COC(=O)C NPA006632 [1,1,0,0,0,0|0,0,0]=2
15  B9R1.27  CC1=C(C(=O)OC1)CO NPA014974 [0,1,0,1,0,0|0,0,2]=4
16  B9R1.27  C[C@@H]1CCC(=O)[C@@H]1CO NPA015750 [0,1,0,1,0,0|1,0,0]=3
17  B9R1.69  C[C@H]1C[C@H](C=CC1=O)O NPA016187 [0,1,0,1,0,0|1,0,1]=4
18  B9R1.23  CC1=CC(OC1=O)CCl NPA019784 [0,1,0,1,0,0|1,0,1]=4
19  B9R1.35  C[C@@H]([C@H]1CCC(=O)O1)O NPA001683 [0,1,0,1,0,0|0,0,0]=2
20  B9R1.35  C[C@H](C1=CC(=O)CC1)O NPA023422 [0,1,0,1,0,0|1,0,1]=4