0  B7R0.9  CC(=O)CC(C)(C)O NPA001228 [0,0,0,0,0,0|0,1,2]=3
1  B8R1.77  CC1([C@H](N1)C(=O)O)C NPA018555 [0,0,0,1,0,0|2,0,1]=4
2  B6R0.7  CC(=O)C(C)(C)O NPA017196 [0,0,0,0,1,0|0,1,2]=4
3  B5R0.1  C=C(C)CCO NPA031414 [2,0,0,0,0,0|0,0,2]=4
4  B5R0.1  CC(=CCO)C NPA031413 [2,0,0,0,0,0|0,0,2]=4
5  B5R0.4  CC(C)(CS)S NPA010607 [2,0,0,0,0,0|0,1,0]=3
6  B7R0.16  CC(C)C(C(=O)O)O NPA012171 [1,1,0,0,0,0|1,0,1]=4
7  B7R1.14  CC1(CSSS1)C NPA013489 [1,0,0,1,0,0|1,1,0]=4
8  B9R1.146  CC1(CCC(O1)(C)C)C NPA009801 [0,0,0,1,0,1|1,1,0]=4
9  B5R0.5  CC(C(=O)C)O NPA007460 [1,0,0,0,1,0|0,1,1]=4
10  B5R0.5  CC(C(C)O)O NPA007728 [1,0,0,0,1,0|0,1,0]=3
11  B7R0.6  CC(=O)NCC(C)C NPA028554 [1,0,0,0,0,1|0,0,2]=4
12  B7R0.6  CC(C)CNS(=O)C NPA028557 [1,0,0,0,0,1|1,0,1]=4
13  B7R0.6  CC(C)COC(=O)C NPA006632 [1,0,0,0,0,1|0,0,2]=4