0  B13R1.27  CCCCCCCC1CCC(O1)=O TN6744 [1,0,0,0,0,0|0,0,0]=1
1  B15R1.34  CCCCCCCCCC1OCC(C)O1 T31303 [0,1,0,0,0,0|2,0,1]=4
2  B13R0.54  CCCCCC/C=C\CCCC(O)=O T8240 [0,0,1,0,0,0|0,0,2]=3
3  B13R0.54  CCCCCCCCCCCC(C)=O T9502 [0,0,1,0,0,0|1,0,0]=2
4  B13R0.54  CCCCCCCCCCCC(O)=O T6873 [0,0,1,0,0,0|0,0,0]=1
5  B13R0.54  CCCCCCCCCCCC([O-])=O T30004 [0,0,1,0,0,0|0,0,1]=2
6  B13R0.54  NCCCCCCCCCCC(O)=O T17323 [0,0,1,0,0,0|1,0,0]=2
7  B13R0.54  OOCCCCCCCCCC(O)=O T33476 [0,0,1,0,0,0|2,0,0]=3
8  B13R0.147  CCCCCCCCCCC(=O)OC T9505 [0,0,1,0,0,0|2,0,0]=3
9  B12R0.5  CCCCCCCCC/C=C/C=O TN6927 [1,0,1,0,0,0|0,0,2]=4
10  B12R0.5  CCCCCCCCCCCCO T9514 [1,0,1,0,0,0|0,0,1]=3
11  B12R0.5  CCCCCCCCCCOC=C T31314 [1,0,1,0,0,0|2,0,0]=4
12  B12R0.234  CCCCCCCC/C=C/C(O)=O T19589 [1,0,1,0,0,0|0,0,2]=4
13  B12R0.234  CCCCCCCCCCC(O)=O T3948 [1,0,1,0,0,0|0,0,0]=2
14  B12R0.234  CCCCCCCCCCS(C)=O T29297 [1,0,1,0,0,0|2,0,0]=4
15  B12R0.234  OC(=O)CCCCCCCCC=C T0306 [1,0,1,0,0,0|0,0,2]=4
16  B12R0.234  OCCCCCCCCCC(O)=O TMO2685 [1,0,1,0,0,0|1,0,0]=3
17  B12R0.248  CCCCCCCCCC(=O)NC T31309 [1,0,1,0,0,0|1,0,0]=3
18  B12R0.248  CCCCCCCCCC(=O)NN T31346 [1,0,1,0,0,0|2,0,0]=4
19  B12R0.248  CCCCCCCCCC(=O)NO T33614 [1,0,1,0,0,0|2,0,0]=4
20  B12R0.248  CCCCCCCCCC(=O)OC T33337 [1,0,1,0,0,0|1,0,0]=3
21  B12R1.7  CCCC#CCC1CCC(=O)O1 TN5132 [2,0,0,0,0,0|0,0,2]=4
22  B12R1.7  CCCCCCC1CCC(=O)O1 T8078 [2,0,0,0,0,0|0,0,0]=2
23  B14R0.68  OC(=O)CCCCCCCCCC(O)=O T5565 [0,1,1,0,0,0|1,0,1]=4
24  B14R0.88  CCCCCCCCCCOP(O)([O-])=O T29032 [0,1,1,0,0,0|2,0,0]=4
25  B14R0.88  OP(O)(=O)CCCCCCCCCCBr T13999 [0,1,1,0,0,0|2,0,0]=4
26  B14R0.305  COC(=O)CCCCCCCCC(O)=O T21236 [0,1,1,0,0,0|1,0,1]=4
27  B14R0.337  CCCCCCCCCCCC(=O)OC TN6895 [0,1,1,0,0,0|0,0,0]=2
28  B14R0.337  COC(=O)CCCCCCCCCCBr T17694 [0,1,1,0,0,0|1,0,0]=3
29  B14R0.340  NCCCCNCCCC[C@H](N)C(O)=O T31380 [0,1,1,0,0,0|2,0,0]=4
30  B14R0.391  CCCCCCCCCC(O)CC(O)=O T19120 [0,1,1,0,0,0|0,0,0]=2
31  B14R0.394  CCCCCCCCCCCCC(O)=O T3950 [0,1,1,0,0,0|0,0,0]=2
32  B14R0.394  OCCCCCCCCCCCC(O)=O T4879 [0,1,1,0,0,0|0,0,0]=2
33  B14R1.40  CCCCCCCCCC1OCCO1 T29359 [1,1,0,0,0,0|1,0,1]=4
34  B16R1.642  CCCCCCCC/C=C\[C@H]1CCC(=O)O1 T24194 [0,2,0,0,0,0|0,0,0]=2
35  B12R0.251  CCCCCCCC[C@@H](C)C(O)=O T31341 [0,0,1,0,1,0|1,0,0]=3
36  B12R0.251  CCCCCCCC[C@H](O)C(O)=O T29352 [0,0,1,0,1,0|2,0,0]=4