0  B5R0.3  CCC(C)C=O T5090 [2,0,0,0,0,0|1,0,0]=3
1  B7R0.5  CCCC(C)C(=O)O T5685 [1,1,0,0,0,0|2,0,0]=4
2  B7R0.5  CSC[C@H](N)C(=O)O T8072 [1,1,0,0,0,0|2,0,0]=4
3  B7R0.13  CCC(C)(O)C(=O)O T5550 [1,1,0,0,0,0|2,0,0]=4