0  B10R0.4  O=C(O)CCCCCCCO 2908 [0,0,0,0,0,0|1,0,0]=1
1  B11R0.30  N=C(N)NCCCCCC(=O)O 4038 [0,1,0,0,0,0|2,0,1]=4
2  B10R1.17  OCCCN1CCCCC1 3769 [1,0,0,1,0,0|1,0,1]=4