0  B9R1.35  O=C1CC[C@H](C(=O)O)O1 2037 [0,0,0,0,0,0|1,0,0]=1
1  B7R0.3  CCC(=O)\C=C\C=O 4517 [1,0,1,0,0,0|1,0,1]=4
2  B7R0.4  COCCCC(=O)O 1781 [1,0,1,0,0,0|2,0,0]=4
3  B11R1.727  N=S1(=O)CCC(C(=O)O)CC1 4881 [0,1,0,0,0,1|2,0,0]=4
4  B9R0.4  NCCC[C@@H](N)CC(=O)O 4677 [0,0,1,0,0,1|1,0,1]=4