0  B5R0.5  CC(C(=O)C)O NPA007460 [0,0,0,0,0,0|2,0,0]=2
1  B5R0.5  CC(C(C)O)O NPA007728 [0,0,0,0,0,0|2,0,1]=3
2  B4R0.1  C(C(=O)O)F NPA003759 [1,0,0,0,0,0|1,0,0]=2
3  B4R0.1  C=CC(=C)C NPA031266 [1,0,0,0,0,0|2,0,1]=4
4  B4R0.1  C=CC(=N)N NPA016478 [1,0,0,0,0,0|2,0,1]=4
5  B4R0.1  CC(=O)C=O NPA018043 [1,0,0,0,0,0|1,0,1]=3
6  B6R0.3  CC(CO)C(=O)O NPA011485 [0,1,0,0,0,0|1,0,0]=2
7  B6R0.7  CC(=O)C(C)(C)O NPA017196 [0,1,0,0,0,0|2,0,0]=3
8  B5R0.1  C(CO)C(=O)O NPA014979 [1,1,0,0,0,0|0,0,0]=2
9  B5R0.1  C=C(C)CCO NPA031414 [1,1,0,0,0,0|2,0,0]=4
10  B5R0.1  CC(=CCO)C NPA031413 [1,1,0,0,0,0|1,0,1]=4
11  B7R0.9  CC(=O)CC(C)(C)O NPA001228 [0,1,0,0,0,1|2,0,0]=4
12  B7R0.16  CC(C)C(=O)C(=O)O NPA002663 [0,1,0,0,0,1|1,0,0]=3
13  B7R0.16  CC(C)C(C(=O)O)O NPA012171 [0,1,0,0,0,1|1,0,0]=3
14  B7R0.5  C#CC[C@@H](C(=O)O)N NPA021207 [0,2,0,0,0,0|0,0,0]=2
15  B7R0.5  CCOC(=O)C(C)C NPA012370 [0,2,0,0,0,0|1,0,0]=3
16  B7R0.5  CNC[C@H](N)C(=O)O NPA027398 [0,2,0,0,0,0|0,0,0]=2
17  B7R0.10  CCC(C)C(=O)OC NPA003841 [0,2,0,0,0,0|1,0,0]=3
18  B7R1.12  CC1=NC1C(=O)O NPA021211 [0,0,0,1,0,1|0,0,2]=4
19  B7R1.4  C1[C@H](C(=O)NO1)N NPA001237 [0,1,0,1,0,0|0,0,0]=2
20  B7R0.6  CC(=O)NCC(C)C NPA028554 [0,0,0,0,0,2|2,0,0]=4
21  B7R0.6  CC(C)COC(=O)C NPA006632 [0,0,0,0,0,2|2,0,0]=4