0  B9R0.45  NCCCCNCCCN T4893 [0,0,0,0,0,0|3,0,1]=4
1  B10R0.4  CCCCCCCCC(=O)O T3947 [0,1,0,0,0,0|0,0,3]=4
2  B10R1.21  CCCCCC1=CC=CO1 TCS0324 [0,0,0,1,0,0|0,0,2]=3
3  B9R0.2  CCCCCCCC(=O)O T3946 [1,1,0,0,0,0|0,0,2]=4
4  B11R0.148  CCCCCCCCCC(=O)O T3379 [0,2,0,0,0,0|0,0,2]=4