0  B5R0.1  C(CO)C(=O)O NPA014979 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.1  C=C(C)CCO NPA031414 [0,0,0,0,0,0|2,0,2]=4
2  B5R0.1  CC(=CCO)C NPA031413 [0,0,0,0,0,0|2,0,1]=3
3  B4R0.1  C(C(=O)O)F NPA003759 [1,0,0,0,0,0|2,0,1]=4
4  B4R0.1  C=CC(=C)C NPA031266 [1,0,0,0,0,0|1,0,0]=2
5  B4R0.1  C=CC(=N)N NPA016478 [1,0,0,0,0,0|2,0,0]=3
6  B4R0.1  CC(=O)C=O NPA018043 [1,0,0,0,0,0|1,0,0]=2
7  B6R0.1  CCCC(=O)CC NPA012016 [0,1,0,0,0,0|0,0,2]=3
8  B6R0.4  C/C=C/C=C(C)C NPA005636 [0,1,0,0,0,0|1,0,0]=2
9  B6R0.4  CC(=O)CCSC NPA010578 [0,1,0,0,0,0|0,0,2]=3
10  B6R0.4  CS/C=C/C(=O)O NPA005711 [0,1,0,0,0,0|1,0,0]=2
11  B6R1.8  C1C(C1=O)CO NPA020911 [0,0,0,1,0,0|1,0,2]=4
12  B5R0.5  CC(C(=O)C)O NPA007460 [1,1,0,0,0,0|0,0,1]=3
13  B7R0.5  CCOC(=O)C(C)C NPA012370 [0,2,0,0,0,0|1,0,1]=4
14  B7R0.10  CCC(C)C(=O)OC NPA003841 [0,2,0,0,0,0|0,0,2]=4
15  B7R0.9  CC(=O)CC(C)(C)O NPA001228 [0,2,0,0,0,0|0,0,2]=4
16  B7R0.16  CC(C)C(=O)C(=O)O NPA002663 [0,2,0,0,0,0|1,0,1]=4
17  B7R0.6  CC(=O)NCC(C)C NPA028554 [0,2,0,0,0,0|0,0,2]=4
18  B7R0.6  CC(C)COC(=O)C NPA006632 [0,2,0,0,0,0|0,0,2]=4
19  B7R1.1  CCC1=CC=CO1 NPA014078 [0,1,0,1,0,0|0,0,2]=4
20  B7R1.2  CC1=CC=C(O1)C NPA006894 [0,1,0,1,0,0|0,0,1]=3
21  B7R1.4  C1[C@H](C(=O)NO1)N NPA001237 [0,1,0,1,0,0|2,0,0]=4
22  B7R1.4  CC1=NCNC1=O NPA003654 [0,1,0,1,0,0|2,0,0]=4
23  B7R1.15  O=C1C=C(C1=O)O NPA028987 [0,1,0,1,0,0|1,0,1]=4
24  B7R1.12  CC1=NC1C(=O)O NPA021211 [0,1,0,1,0,0|1,0,1]=4