0  B9R0.46  CCCCSCC(O)CO CSC011995958 [0,1,1,0,0,0|2,0,0]=4
1  B9R0.40  CCCC(CC)NCCO CSC011608062 [0,1,1,0,0,0|2,0,0]=4
2  B9R1.12  OCCNC1CCSC1 CSC000200495 [0,0,1,1,0,0|1,1,0]=4