0  B9R0.45  CCCCCCCCCBr BBL010944 [0,0,0,0,0,0|1,0,3]=4
1  B9R0.45  CCCCCCCCCI BBL011365 [0,0,0,0,0,0|1,0,3]=4
2  B9R0.45  CCCCCCCCCN BBL027706 [0,0,0,0,0,0|1,0,3]=4
3  B8R0.4  CCCCCCCCCl BBL011474 [1,0,0,0,0,0|1,0,2]=4
4  B8R0.4  CCCCCCCCI BBL027322 [1,0,0,0,0,0|1,0,2]=4
5  B8R0.4  CCOCCCN=C=O BBL037673 [1,0,0,0,0,0|2,0,1]=4
6  B10R0.4  CCCCCCCCC(=O)O BBL027459 [0,1,0,0,0,0|0,0,2]=3
7  B7R0.1  C=CCCCCCC BBL027759 [2,0,0,0,0,0|1,0,0]=3
8  B7R0.1  CCCCCCCI BBL027321 [2,0,0,0,0,0|1,0,1]=4
9  B9R0.2  CCCCCCCC(=O)Cl BBL011405 [1,1,0,0,0,0|0,0,1]=3
10  B9R0.2  CCCCCCCC(C)=O BBL011435 [1,1,0,0,0,0|0,0,1]=3
11  B11R0.40  CCCCCCCCC(=O)NN BBL016680 [0,2,0,0,0,0|0,0,2]=4
12  B11R0.148  CCCCCCCCCC(=O)Cl BBL011427 [0,2,0,0,0,0|0,0,2]=4
13  B11R0.148  CCCCCCCCCC(C)=O BBL011441 [0,2,0,0,0,0|0,0,2]=4
14  B11R0.148  CCCCCCCCOC(C)=O BBL027760 [0,2,0,0,0,0|0,0,2]=4
15  B9R1.15  O=CC1CCCCC1=O BBL032651 [1,0,0,1,0,0|1,0,1]=4
16  B9R1.50  O=C1CCCCCCC1 BBL011399 [1,0,0,1,0,0|0,0,1]=3
17  B11R1.180  CCCCCC1CCCC1=O BBL028373 [0,1,0,1,0,0|0,0,2]=4
18  B11R1.180  CCCC\C=C1\CCCC1=O BBL028692 [0,1,0,1,0,0|0,0,2]=4
19  B11R1.199  CCOC(=O)C1CCCC1=O BBL020099 [0,1,0,1,0,0|1,0,0]=3
20  B11R1.27  CCCCCC1CCC(=O)O1 BBL027520 [0,1,0,1,0,0|0,0,2]=4
21  B11R1.86  CC(C)\C=C1/CCCCC1=O BBL028648 [0,1,0,1,0,0|0,0,0]=2
22  B11R1.91  O=C(O)CCC1CCCCC1 BBL001405 [0,1,0,1,0,0|0,0,2]=4