0  B8R0.4  CCCCCCCSC CSC000033844 [0,1,0,0,0,0|2,0,1]=4
1  B8R0.4  CCCCCCSCC CSC000073868 [0,1,0,0,0,0|2,0,1]=4
2  B8R0.4  CSCCCCCCO CSC012179070 [0,1,0,0,0,0|1,1,1]=4
3  B8R0.4  CSCCCCCSC CSC009866234 [0,1,0,0,0,0|1,0,2]=4
4  B8R0.6  COC(=O)CCCSC CSC011216297 [0,1,0,0,0,0|3,0,0]=4