0  B12R0.248  CCCCCCCCCC(=O)CC 099122 [0,1,0,0,0,0|1,0,2]=4
1  B12R0.248  CCCCCCCSCC(=O)OC 095133 [0,1,0,0,0,0|1,0,1]=3
2  B11R0.3  CCC\C=C\CCCCCCC 195199 [1,1,0,0,0,0|1,0,1]=4