0  B13R0.54  O=C(O)CCCCCCCCCCBr BBL027401 [0,0,0,0,0,0|1,0,0]=1
1  B12R0.234  C=CCCCCCCCCC(=O)O BBL027462 [1,0,0,0,0,0|0,0,2]=3
2  B12R0.234  CC#CCCCCCCCC(=O)O BBL028996 [1,0,0,0,0,0|0,0,2]=3
3  B12R0.234  CCCCCCCCCOC(=S)[S-] BBL011315 [1,0,0,0,0,0|1,2,0]=4
4  B14R0.305  COC(=O)CCCCCCCCC(=O)O BBL000065 [0,1,0,0,0,0|1,0,1]=3
5  B14R0.337  CCCCCCCCCCCC(=O)NN BBL017260 [0,1,0,0,0,0|1,0,0]=2
6  B14R0.394  CCCCCCCCCCCCN(C)C BBL011370 [0,1,0,0,0,0|3,0,0]=4
7  B14R1.26  CCCCCCCC1CCCC(=O)O1 BBL027600 [0,0,0,1,0,0|0,0,0]=1
8  B14R1.4408  O=C1CCCCCCCCCCCN1 BBL023755 [0,0,0,1,0,0|1,0,0]=2
9  B14R1.4728  CCCCCCCCC1CC1C(=O)O BBL013216 [0,0,0,1,0,0|0,0,0]=1
10  B11R0.3  CCCCCCCCCCCBr BBL010940 [2,0,0,0,0,0|1,0,0]=3
11  B11R0.148  CCCCCCCCCC(=O)Cl BBL011427 [2,0,0,0,0,0|1,0,0]=3
12  B11R0.148  CCCCCCCCCC(C)=O BBL011441 [2,0,0,0,0,0|1,0,0]=3
13  B11R0.148  CCCCCCCCOC(C)=O BBL027760 [2,0,0,0,0,0|2,0,0]=4
14  B13R0.336  CCCCCCCCCC\C=C\C#N BBL028310 [1,1,0,0,0,0|1,0,1]=4
15  B13R0.336  NCCCCCCCCCCCCN BBL036612 [1,1,0,0,0,0|1,0,1]=4
16  B13R0.179  O=C(O)CCCCCCCCC(=O)O BBL011473 [1,1,0,0,0,0|1,0,1]=4
17  B15R0.172  COC(=O)CCCCCCCCC(=O)OC BBL009825 [0,2,0,0,0,0|1,0,1]=4
18  B15R0.88  CCCCOCCCNC(=O)CCC(=O)O BBL036037 [0,2,0,0,0,0|1,0,1]=4
19  B15R0.1927  CCCCCCC(C)NC(=O)CCC(=O)O BBL036146 [0,2,0,0,0,0|1,0,1]=4
20  B15R0.222  O=C(O)CCCCCCCCCCC(=O)O BBL018825 [0,2,0,0,0,0|0,0,1]=3
21  B13R1.279  O=C1CCCCCCCCCCC1 BBL019121 [1,0,0,1,0,0|0,0,0]=2
22  B13R1.279  OC1CCCCCCCCCCC1 BBL011664 [1,0,0,1,0,0|0,0,1]=3
23  B13R1.654  CCCCCCCC1CCCC1=O BBL027851 [1,0,0,1,0,0|0,0,0]=2
24  B13R1.659  CCCCCCCCCCC1CO1 BBL027500 [1,0,0,1,0,0|0,0,1]=3
25  B13R1.1988  O=C(O)CCCN1CCCCCC1 BBL009375 [1,0,0,1,0,0|1,0,0]=3
26  B15R1.1081  O=C(O)CCCC(=O)NC1CCCCC1 BBL036024 [0,1,0,1,0,0|1,0,1]=4
27  B15R1.1239  CCCNC(=O)C1CCCCC1C(=O)O BBL037041 [0,1,0,1,0,0|1,0,1]=4
28  B15R1.11631  COC(=O)CCCCCCCCC1CO1 BBL027873 [0,1,0,1,0,0|1,0,0]=3
29  B15R1.15405  C#CC1(O)CCCCCCCCCCC1 BBL018507 [0,1,0,1,0,0|1,0,1]=4
30  B15R1.16777  O=C(O)CCC(=O)NC1CCCCCC1 BBL015726 [0,1,0,1,0,0|1,0,1]=4