0  B9R0.48  CC(C)CNC(=O)CC#N 075704 [1,0,0,0,0,0|2,0,1]=4
1  B9R0.55  CC(C)CCSCC(=O)O 354742 [1,0,0,0,0,0|3,0,0]=4
2  B10R0.165  CC(C)CS(=O)(=O)CC(=O)O 070764 [0,1,0,0,1,0|2,0,0]=4