0  B11R1.91  CC(C)SCC1=CC=CC=C1 095090 [0,0,0,0,0,1|1,0,0]=2
1  B11R1.91  CC(O)CCC1=CC=NC=C1 105817 [0,0,0,0,0,1|3,0,0]=4
2  B12R1.27  CCC(C)SCC1=CC=CC=C1 094712 [0,1,0,0,0,1|1,0,0]=3
3  B8R1.7  CC([NH3+])C1=CC=CS1 031057 [0,0,0,0,2,0|1,1,0]=4
4  B10R1.17  CCCCC1=CC=CC=N1 180367 [1,0,0,0,0,1|2,0,0]=4
5  B12R1.252  CC(C)CCCC1=NC=CC=C1 098789 [0,0,0,0,0,2|2,0,0]=4
6  B12R1.252  CC(C)OCCC1=NC=CC=C1 180314 [0,0,0,0,0,2|1,1,0]=4