0  B5R0.1  C(CO)C(=O)O NPA014979 [1,0,0,0,0,0|1,0,2]=4
1  B5R0.1  C=C(C)CCO NPA031414 [1,0,0,0,0,0|0,0,3]=4
2  B5R0.1  CC(=CCO)C NPA031413 [1,0,0,0,0,0|0,0,1]=2
3  B7R0.9  CC(=O)CC(C)(C)O NPA001228 [0,1,0,0,0,0|1,0,2]=4
4  B7R0.16  CC(C)C(=O)C(=O)O NPA002663 [0,1,0,0,0,0|0,0,1]=2
5  B7R0.16  CC(C)C(C(=O)O)O NPA012171 [0,1,0,0,0,0|0,0,2]=3
6  B7R1.12  CC1=NC1C(=O)O NPA021211 [0,0,0,1,0,0|1,0,1]=3
7  B5R0.5  CC(C(=O)C)O NPA007460 [0,0,0,0,1,0|2,0,1]=4
8  B7R0.6  CC(=O)NCC(C)C NPA028554 [0,0,0,0,0,1|1,0,2]=4
9  B7R0.6  CC(C)COC(=O)C NPA006632 [0,0,0,0,0,1|1,0,2]=4
10  B4R0.1  C(C(=O)O)F NPA003759 [2,0,0,0,0,0|1,0,1]=4
11  B4R0.1  C=CC(=C)C NPA031266 [2,0,0,0,0,0|0,0,1]=3
12  B4R0.1  C=CC(=N)N NPA016478 [2,0,0,0,0,0|2,0,0]=4
13  B4R0.1  CC(=O)C=O NPA018043 [2,0,0,0,0,0|1,0,0]=3
14  B6R0.4  C/C=C/C=C(C)C NPA005636 [1,1,0,0,0,0|1,0,0]=3
15  B6R0.4  CC(C)CNC=O NPA028553 [1,1,0,0,0,0|0,0,2]=4
16  B6R0.4  CS/C=C/C(=O)O NPA005711 [1,1,0,0,0,0|0,0,0]=2
17  B6R0.7  CC(=O)C(C)(C)O NPA017196 [0,1,0,0,1,0|1,0,1]=4
18  B8R0.23  CC(C)CC(C(=O)O)O NPA011422 [0,1,0,0,0,1|0,0,2]=4
19  B8R0.2  CC(C)C(C)C(=O)OC NPA018449 [0,2,0,0,0,0|0,0,2]=4
20  B8R0.18  [C-]#[N+][C@H](C(=O)O)C(C)C NPA036417 [0,2,0,0,0,0|0,0,2]=4
21  B8R1.77  CC1([C@H](N1)C(=O)O)C NPA018555 [0,0,0,1,0,1|0,0,2]=4
22  B8R1.1  C1=C(ONC1=O)CN NPA024780 [0,1,0,1,0,0|2,0,0]=4
23  B8R1.1  CCC1CC(=O)OC1 NPA004245 [0,1,0,1,0,0|0,0,2]=4
24  B8R1.4  CC1=CC(=O)C=CN1 NPA011826 [0,1,0,1,0,0|1,0,1]=4
25  B8R1.4  CC1=CC(=O)C=CO1 NPA012777 [0,1,0,1,0,0|1,0,1]=4
26  B8R1.4  CC1=CC(=O)CCO1 NPA016314 [0,1,0,1,0,0|1,0,0]=3
27  B8R1.18  CC1=CC(=C(O1)C)C NPA002957 [0,1,0,1,0,0|1,0,0]=3
28  B8R0.28  CC(=CCCC(C)O)C NPA031443 [0,0,0,0,0,2|1,0,1]=4
29  B8R0.28  CC(=O)CCC=C(C)C NPA031444 [0,0,0,0,0,2|1,0,0]=3