0  B8R0.6  CCCCC[C@@H](CC)O NPA002709 [0,0,0,0,0,0|0,0,2]=2
1  B7R0.3  CCC(C)CCCO NPA009905 [1,0,0,0,0,0|2,0,1]=4
2  B7R0.4  NCCNCC(=O)O NPA027411 [1,0,0,0,0,0|3,0,0]=4
3  B6R0.1  CCCC(=O)CC NPA012016 [2,0,0,0,0,0|0,0,0]=2
4  B6R0.4  CC(=O)CCSC NPA010578 [2,0,0,0,0,0|1,0,0]=3
5  B8R0.4  CCCCC/C=C\CO NPA008349 [1,1,0,0,0,0|0,0,1]=3
6  B8R0.4  CCCCCCCCO NPA007602 [1,1,0,0,0,0|0,0,1]=3
7  B8R0.9  CCC(=O)CCC(=O)C NPA013026 [1,1,0,0,0,0|0,0,1]=3
8  B8R0.28  CC(=CCCC(C)O)C NPA031443 [1,1,0,0,0,0|1,0,1]=4
9  B8R0.28  CC(=O)CCC=C(C)C NPA031444 [1,1,0,0,0,0|0,0,2]=4
10  B8R0.28  CC(=O)NCCC(C)C NPA028556 [1,1,0,0,0,0|1,0,0]=3
11  B8R0.28  CC(C)CCCC(=O)C NPA012789 [1,1,0,0,0,0|0,0,0]=2
12  B8R0.28  CC(C)CCNS(=O)C NPA028558 [1,1,0,0,0,0|2,0,0]=4
13  B10R0.91  O=C(CNCCO)NCCO NPA029007 [0,2,0,0,0,0|2,0,0]=4
14  B10R0.55  CC(=O)OCCCC(=O)CO NPA004151 [0,2,0,0,0,0|1,0,1]=4
15  B8R1.49  C1CCC/C=C\CC1 NPA012658 [1,0,0,1,0,0|0,0,1]=3
16  B8R1.1  CCC1CC(=O)OC1 NPA004245 [1,0,0,1,0,0|1,0,0]=3
17  B10R1.10  CCC[C@@H]1CC=CC(=O)O1 NPA007198 [0,1,0,1,0,0|1,0,1]=4
18  B10R1.15  COC(=O)C1CCCC=C1 NPA024426 [0,1,0,1,0,0|1,0,1]=4
19  B10R1.22  CC1=C(C(=O)C[C@@H](C1)O)C NPA000999 [0,1,0,1,0,0|0,0,2]=4
20  B10R1.149  COC(=O)[C@@H]1CCCN1N NPA036065 [0,1,0,1,0,0|2,0,0]=4
21  B10R1.256  C[C@H]1[C@@H]([C@H](OC1=O)C)CO NPA004010 [0,1,0,1,0,0|2,0,0]=4