0  B4R0.1  NCC(=O)O AB-131/40217813 [1,0,0,0,0,0|1,0,2]=4
1  B6R0.8  CCC(C)(S)CO AN-584/42543624 [0,1,0,0,0,0|1,1,0]=3
2  B7R0.13  CC(C)(CO)C(=O)O AQ-917/40987623 [0,2,0,0,0,0|1,0,1]=4
3  B7R0.13  CCC(C)(O)C(=O)O AB-131/40897105 [0,2,0,0,0,0|1,0,1]=4
4  B7R1.3  OC1CCSCC1 AE-641/30104027 [0,1,0,1,0,0|1,1,0]=4