0  B8R0.4  CCCCCC/C=C/I I0037 [1,0,1,0,0,0|1,0,1]=4
1  B8R0.8  N[C@H](C(O)=O)CCSC M0524 [0,0,1,0,1,0|2,0,0]=4
2  B8R0.8  O=C(O)C(N)CCSC D0444 [0,0,1,0,1,0|2,0,0]=4
3  B8R1.8  C(CO)N1CCCC1 H0504 [1,0,0,0,1,0|1,0,1]=4
4  B8R1.7  O=C(O)[C@H]1NCCC1 P0446 [0,0,0,0,2,0|1,0,0]=3