0  B13R0.54  CCCCCCCCC/C=C/C(=O)O Z336127680 [1,0,0,0,0,0|0,0,2]=3
1  B13R0.54  CCCCCCCCCCCC(=O)O Z104476194 [1,0,0,0,0,0|0,0,0]=1
2  B13R0.54  O=C(O)CCCCCCCCCCBr Z57953031 [1,0,0,0,0,0|1,0,0]=2
3  B13R0.336  OCCCCCCCCCCCCBr Z1259040916 [1,0,0,0,0,0|1,0,1]=3
4  B15R0.81  CCCCCCCCCCCCC(C)CO Z1270136853 [0,1,0,0,0,0|2,0,1]=4
5  B15R0.81  COC(=O)CCCCCCCCCCCO Z2718913196 [0,1,0,0,0,0|0,0,0]=1
6  B15R0.84  CCCCCCCCCCCC(O)C(=O)O Z2049964923 [0,1,0,0,0,0|1,0,0]=2
7  B15R0.164  CCCCCCCCCCCCCC(=O)O Z1954802504 [0,1,0,0,0,0|1,0,0]=2
8  B15R0.164  CCCCCCCCCCCCSC(=N)N Z436066530 [0,1,0,0,0,0|3,0,0]=4
9  B15R0.164  CCCCCCCCCCNCCC(=O)O Z1407659785 [0,1,0,0,0,0|1,0,0]=2
10  B15R0.210  CCCCC(=O)NCCCCCCC(=O)O Z224152162 [0,1,0,0,0,0|2,0,1]=4
11  B15R1.1068  CCCCC1CCCC1NCCC(=O)O Z2329561214 [0,0,0,1,0,0|2,0,0]=3
12  B12R0.5  CCCCCCCCCCCC#N Z966176448 [2,0,0,0,0,0|1,0,1]=4
13  B12R0.5  CCCCCCCCCCCCN Z104474358 [2,0,0,0,0,0|1,0,1]=4
14  B12R0.5  CCCCCCCCCCCCO Z104476554 [2,0,0,0,0,0|0,0,1]=3
15  B12R0.5  NCCCCCCCCCCCO Z1198263294 [2,0,0,0,0,0|1,0,0]=3
16  B12R0.234  C=CCCCCCCCCC(=O)O Z104479700 [2,0,0,0,0,0|0,0,2]=4
17  B12R0.234  CCCCCCCCCCC(=O)O Z104473988 [2,0,0,0,0,0|0,0,0]=2
18  B12R0.234  CCCCCCCCOCC(=O)O Z362795602 [2,0,0,0,0,0|1,0,0]=3
19  B12R0.234  O=C(O)CCCCCCCCCO Z1255434772 [2,0,0,0,0,0|0,0,0]=2
20  B14R0.391  CCCCCCCCCC(C)CC(=O)O Z1434181484 [1,1,0,0,0,0|0,0,0]=2
21  B14R0.391  CCCCCCCCNC(=O)CC(=O)O Z1508936042 [1,1,0,0,0,0|1,0,1]=4
22  B16R0.61  CCOC(=O)CCCCCCCCCCCN Z2652745518 [0,2,0,0,0,0|1,0,0]=3
23  B16R0.3183  CCCCCCCCCCC(=O)NCC(=O)O Z1455014850 [0,2,0,0,0,0|1,0,1]=4
24  B16R0.274  CCCCCCCCCCNCCCC(=O)O Z1346385252 [0,2,0,0,0,0|1,0,0]=3
25  B16R0.3288  O=C(O)CCCCCCCCCCCC(=O)O Z87002486 [0,2,0,0,0,0|0,0,0]=2
26  B14R1.159  NC1CCCCC1CCCCC(=O)O Z5628310222 [1,0,0,1,0,0|1,0,0]=3
27  B14R1.482  O=C(O)CCN1CCCCC1CCO Z53114585 [1,0,0,1,0,0|1,0,0]=3
28  B14R1.1454  NC(=O)CCNC1CCCCCCC1 Z57030993 [1,0,0,1,0,0|2,0,0]=4
29  B14R1.6343  NC(=O)CCSCC1CCCCCC1 Z1675602022 [1,0,0,1,0,0|2,0,0]=4
30  B14R1.6388  O=C(O)CCCCCCCCC1CC1 Z1262515364 [1,0,0,1,0,0|0,0,0]=2
31  B14R1.6388  O=C(O)CCCCCCCCC1CO1 Z1486035990 [1,0,0,1,0,0|0,0,0]=2
32  B14R1.216  CCCCCCCCC1CCCC1=O Z813018306 [1,0,0,1,0,0|1,0,0]=3
33  B14R1.845  O=CC1CCCCCCCCCCC1 Z1268606432 [1,0,0,1,0,0|1,0,0]=3
34  B16R1.83  CC1CCCC(C1)OCCCCCC(=O)O Z1219750749 [0,1,0,1,0,0|2,0,0]=4
35  B16R2.492  O=C(O)CCCN1CC2CCCCC2C1 Z1650871997 [0,0,0,2,0,0|2,0,0]=4
36  B16R2.87  O=C(O)C1CCCCC1C2CCNCC2 Z3980176266 [0,0,0,2,0,0|2,0,0]=4
37  B16R2.464  NC(=O)C1CCCN1CC2CCCCO2 Z103764314 [0,0,0,2,0,0|2,0,0]=4
38  B16R2.464  O=C(O)[C@H]1CCCN1CC2CCCCC2 Z2256754994 [0,0,0,2,0,0|2,0,0]=4