0  B13R0.54  CCCCCCCCCCCC(=O)O Z104476194 [1,0,0,0,0,0|1,0,1]=3
1  B13R0.54  O=C(O)CCCCCCCCCCBr Z57953031 [1,0,0,0,0,0|2,0,1]=4
2  B13R0.336  OCCCCCCCCCCCCBr Z1259040916 [1,0,0,0,0,0|1,0,0]=2
3  B15R0.81  CCCCCCCCCCCCC(C)CO Z1270136853 [0,1,0,0,0,0|0,0,0]=1
4  B15R0.81  COC(=O)CCCCCCCCCCCO Z2718913196 [0,1,0,0,0,0|1,0,2]=4
5  B15R0.84  CCCCCCCCCCCC(O)C(=O)O Z2049964923 [0,1,0,0,0,0|1,0,1]=3
6  B15R0.164  CCCCCCCCCCCCCC(=O)O Z1954802504 [0,1,0,0,0,0|1,0,1]=3
7  B15R0.164  CCCCCCCCCCCCSC(=N)N Z436066530 [0,1,0,0,0,0|2,0,1]=4
8  B15R0.164  CCCCCCCCCCNCCC(=O)O Z1407659785 [0,1,0,0,0,0|1,0,1]=3
9  B15R1.131  CC1CCCCC1CNCCCS(=O)C Z1653531312 [0,0,0,1,0,0|2,0,1]=4
10  B15R1.1068  CCCCC1CCCC1NCCC(=O)O Z2329561214 [0,0,0,1,0,0|2,0,1]=4
11  B15R1.5368  COCCCCCNC1CCCC1(C)C Z1439232907 [0,0,0,1,0,0|3,0,0]=4
12  B12R0.5  CCCCCCCCCC#CCO Z1198168660 [2,0,0,0,0,0|0,0,2]=4
13  B12R0.5  CCCCCCCCCCCC#N Z966176448 [2,0,0,0,0,0|1,0,1]=4
14  B12R0.5  CCCCCCCCCCCCN Z104474358 [2,0,0,0,0,0|1,0,0]=3
15  B12R0.5  CCCCCCCCCCCCO Z104476554 [2,0,0,0,0,0|0,0,0]=2
16  B12R0.5  CCCCCCCCNCCCN Z600494288 [2,0,0,0,0,0|2,0,0]=4
17  B12R0.5  CCCCCCCCOCCCN Z1262237229 [2,0,0,0,0,0|2,0,0]=4
18  B12R0.5  CCCCCCNCCCCCC Z104475172 [2,0,0,0,0,0|1,0,0]=3
19  B12R0.5  NCCCCCCCCCCCO Z1198263294 [2,0,0,0,0,0|1,0,0]=3
20  B12R0.234  CCCCCCCCCCC(=O)O Z104473988 [2,0,0,0,0,0|1,0,1]=4
21  B14R0.391  CCCCCCCCCC(C)CC(=O)O Z1434181484 [1,1,0,0,0,0|1,0,1]=4
22  B14R0.392  CCCCCCCNCCCCCCC Z104488332 [1,1,0,0,0,0|0,0,0]=2
23  B16R0.221  CCCCCCCCCCCCS/C(=N/C)/N Z910493300 [0,2,0,0,0,0|1,0,1]=4
24  B16R0.274  CCCCCCCCCCNCCCC(=O)O Z1346385252 [0,2,0,0,0,0|1,0,1]=4
25  B14R1.903  CCOCCN1CCCCC1C(C)O Z1146512713 [1,0,0,1,0,0|2,0,0]=4
26  B14R1.6388  O=C(O)CCCCCCCCC1CC1 Z1262515364 [1,0,0,1,0,0|1,0,1]=4
27  B14R1.123  OCCCOCCCN1CCCCC1 Z825753286 [1,0,0,1,0,0|2,0,0]=4
28  B14R1.216  CCCCCCCCC1CCCC1=O Z813018306 [1,0,0,1,0,0|0,0,2]=4
29  B14R1.476  CCC1CCCCN1CCOCCO Z756092024 [1,0,0,1,0,0|2,0,0]=4
30  B14R1.845  O=CC1CCCCCCCCCCC1 Z1268606432 [1,0,0,1,0,0|0,0,2]=4
31  B14R1.845  ON=C1CCCCCCCCCCC1 Z49568438 [1,0,0,1,0,0|1,0,1]=4
32  B14R1.904  CCSC1CCCCC1NCCCO Z1817495882 [1,0,0,1,0,0|2,0,0]=4
33  B14R1.2352  OCCCCCCN1CCCOCC1 Z1349256627 [1,0,0,1,0,0|2,0,0]=4
34  B16R1.17455  CCCCCCCCCCCCCC1CO1 Z1495386305 [0,1,0,1,0,0|0,0,0]=2
35  B16R2.2832  O[C@H]1CCN(C1)CCCC2CCCCC2 Z1908411254 [0,0,0,2,0,0|1,0,0]=3
36  B16R2.477  CC(O)CNC1CCC2CCCCC2C1 Z111883350 [0,0,0,2,0,0|1,0,0]=3
37  B16R2.12141  OC1COCCN(C1)CCC2CCCC2 Z2276591881 [0,0,0,2,0,0|2,0,0]=4