0  B8R0.4  NCCCNCCCN T4750 [0,0,0,0,0,0|3,0,1]=4
1  B9R0.2  CCCCCCCC(=O)O T3946 [0,1,0,0,0,0|1,0,0]=2
2  B9R0.45  NCCCCNCCCN T4893 [0,1,0,0,0,0|2,0,1]=4
3  B6R0.6  NCCCCCN T4895 [2,0,0,0,0,0|2,0,0]=4
4  B8R0.7  CCCCCCC(=O)O T3945 [1,1,0,0,0,0|1,0,0]=3
5  B10R0.4  CCCCCCCCC(=O)O T3947 [0,2,0,0,0,0|0,0,1]=3
6  B10R1.21  CCCCCC1=CC=CO1 TCS0324 [0,1,0,1,0,0|0,0,2]=4