0  B7R0.3  CCC(C)CCCO NPA009905 [1,0,0,0,0,0|2,0,1]=4
1  B9R1.27  CC1=C(C(=O)CC1)CO NPA015964 [0,0,0,1,0,0|2,0,1]=4
2  B9R1.27  C[C@@H]1CCC(=O)[C@@H]1CO NPA015750 [0,0,0,1,0,0|2,0,0]=3
3  B9R1.69  C[C@@H]1[C@H](C=CC(=O)O1)O NPA003230 [0,0,0,1,0,0|1,0,2]=4
4  B6R0.1  CCCC(=O)CC NPA012016 [2,0,0,0,0,0|0,0,0]=2
5  B6R0.4  CC(=O)CCSC NPA010578 [2,0,0,0,0,0|1,0,0]=3
6  B8R0.4  CCCCC/C=C\CO NPA008349 [1,1,0,0,0,0|2,0,0]=4
7  B8R0.4  CCCCCCCCO NPA007602 [1,1,0,0,0,0|1,0,1]=4
8  B8R0.6  CCCCC[C@@H](CC)O NPA002709 [1,1,0,0,0,0|1,0,1]=4
9  B8R0.9  CCC(=O)CCC(=O)C NPA013026 [1,1,0,0,0,0|0,0,1]=3
10  B10R0.91  O=C(CNCCO)NCCO NPA029007 [0,2,0,0,0,0|2,0,0]=4
11  B10R0.78  CCCCC(=O)OCC(C)C NPA028053 [0,2,0,0,0,0|0,0,0]=2
12  B10R0.26  CCOC(=O)C[C@@H](O)C(=O)O NPA032318 [0,2,0,0,0,0|1,0,1]=4
13  B8R1.49  C1CCC/C=C\CC1 NPA012658 [1,0,0,1,0,0|1,0,0]=3
14  B8R1.1  CCC1CC(=O)OC1 NPA004245 [1,0,0,1,0,0|0,0,0]=2
15  B10R1.130  C[C@H]1C=C(C(=O)O1)CCO NPA032491 [0,1,0,1,0,0|1,0,1]=4
16  B10R1.192  C[C@@H]1COC(=O)[C@H]1[C@@H](C)O NPA018796 [0,1,0,1,0,0|2,0,0]=4
17  B10R1.10  CCC[C@@H]1CC=CC(=O)O1 NPA007198 [0,1,0,1,0,0|1,0,1]=4
18  B10R1.30  CCC1=C[C@@H](CCC1=O)O NPA017389 [0,1,0,1,0,0|1,0,1]=4
19  B10R1.17  CCCCC1=NCCCC1 NPA004572 [0,1,0,1,0,0|2,0,0]=4
20  B10R1.256  C[C@H]1[C@@H]([C@H](OC1=O)C)CO NPA004010 [0,1,0,1,0,0|1,0,0]=3
21  B10R1.118  C[C@H]1C=C(C(=O)O[C@@H]1C)C NPA003889 [0,1,0,1,0,0|0,0,2]=4
22  B10R1.64  CC(=O)NC1CCOC1=O NPA026172 [0,1,0,1,0,0|1,0,1]=4