0  B15R0.164  CCCCCCCCCCC/C=C/C(=O)C PH008562 [0,0,1,0,0,0|1,0,2]=4
1  B15R0.164  CCCCCCCCCCCCOC(=O)N PH007036 [0,0,1,0,0,0|2,0,0]=3
2  B15R0.164  CCCCCCCCCCCNCC(C)O L305669 [0,0,1,0,0,0|2,0,1]=4
3  B15R0.164  CCCCCCCCCCSCCC(=O)O R397288 [0,0,1,0,0,0|1,0,0]=2
4  B15R0.366  CCCCCCCCCCCC(=O)CCN S236551 [0,0,1,0,0,0|2,0,0]=3
5  B15R0.366  CCCCCCCCCCOC(=O)CC#N S551279 [0,0,1,0,0,0|1,0,1]=3
6  B15R0.366  CCOC(=O)CCCCCCCCCCBr S557498 [0,0,1,0,0,0|3,0,0]=4
7  B15R0.3221  CCCCCCCCCC(C)NC(=O)CCl S381837 [0,0,1,0,0,0|2,0,0]=3
8  B17R2.38932  O=C1C=C2CCCCCCCCCC(C1)C2 T276448 [0,0,0,1,0,0|1,0,1]=3
9  B17R2.38932  [C@@H]12CCCCCCCCC[C@H](C1)CC(=O)C2 T296716 [0,0,0,1,0,0|1,0,0]=2
10  B17R2.38932  [C@H]12CCCCCCCCC[C@H](C1)CC(=C)C2 T244988 [0,0,0,1,0,0|2,0,0]=3
11  B17R2.38932  [C@H]12CCCCCCCCC[C@H](C1)CC(=O)C2 T292419 [0,0,0,1,0,0|1,0,0]=2
12  B17R2.38932  [C@H]12CCCCCCCCC[C@H](C1)CC(C2)O T293156 [0,0,0,1,0,0|1,0,2]=4
13  B14R0.392  CCCCCCCCCCCCCC#N S566004 [1,0,1,0,0,0|1,0,1]=4
14  B14R0.392  CCCCCCCCCCCOCCO CDS018221 [1,0,1,0,0,0|1,0,1]=4
15  B14R0.394  CCCCCCCCCCCCC(=N)N PH011812 [1,0,1,0,0,0|2,0,0]=4
16  B14R0.394  CCCCCCCCCCCCC(=O)N S563005 [1,0,1,0,0,0|1,0,0]=3
17  B14R0.394  N#CCCCCCCCCCCC(=O)O R277878 [1,0,1,0,0,0|1,0,1]=4
18  B14R0.337  CCCCCCCCCCCC(=O)CC S543985 [1,0,1,0,0,0|1,0,0]=3
19  B14R0.337  CCCCCCCCCCOC(=O)CCl S381594 [1,0,1,0,0,0|1,0,0]=3
20  B14R0.489  C=CC(CCCCCCCC)OC(=O)C S308080 [1,0,1,0,0,0|0,0,2]=4
21  B14R0.489  CCCCCCCCC(CCl)NC(=O)C S28275 [1,0,1,0,0,0|2,0,0]=4
22  B16R0.221  CCCCCCCCCCCCCC(=O)NN PH003665 [0,1,1,0,0,0|1,0,0]=3
23  B16R0.221  CCCCCCCCCCCCCC(N)CO R738093 [0,1,1,0,0,0|1,0,1]=4
24  B16R0.221  CCCCCCCCCCCCNC(=O)CC R343285 [0,1,1,0,0,0|2,0,0]=4
25  B16R0.221  CCCCCCCCCCCCNC(=O)CCl S383287 [0,1,1,0,0,0|2,0,0]=4
26  B16R0.221  CCCCCCCCCCCCOC(=O)CBr PH003659 [0,1,1,0,0,0|2,0,0]=4
27  B16R0.221  CCCCCCCCCCCCOC(=O)CN PH014175 [0,1,1,0,0,0|2,0,0]=4
28  B16R0.221  CCCCCCCCCCCCOC(=O)CS S559288 [0,1,1,0,0,0|1,1,0]=4
29  B16R0.274  CCCCCCCCCCCCCCB(O)O S831565 [0,1,1,0,0,0|1,0,1]=4
30  B16R0.274  CCCCCCCCCCCCCCC(=N)N PH012197 [0,1,1,0,0,0|2,0,0]=4
31  B16R0.274  CCCCCCCCCCCCOCC(=O)O S233773 [0,1,1,0,0,0|0,0,0]=2
32  B16R0.274  CCCCCCCCCCCCSCC(=O)O S233471 [0,1,1,0,0,0|0,0,0]=2
33  B16R0.1188  CCCCCCCCCCCCNP(=O)(O)O PH012137 [0,1,1,0,0,0|2,0,0]=4
34  B16R0.1188  CCCCCCCCCCCCOP(=O)(O)O CDS001542 [0,1,1,0,0,0|2,0,0]=4
35  B16R0.61  CCCCCCCCCCSCC(=O)OCC R395412 [0,1,1,0,0,0|1,1,0]=4
36  B16R0.61  CCOC(=O)CCCCCCCCCCOC S382426 [0,1,1,0,0,0|2,0,0]=4
37  B16R0.661  CCCCCCCCCCCC(=O)OCCN PH008548 [0,1,1,0,0,0|2,0,0]=4
38  B16R1.643  BrCCCCCCCCOC1CCCCO1 PH011138 [1,1,0,0,0,0|1,0,1]=4
39  B16R1.18167  CC(=O)CC1CCCCCCCCCCC1 R395730 [0,0,1,1,0,0|1,0,0]=3
40  B16R2.13497  O=C1C=C2CCCCCCCCC(C1)C2 T231851 [1,0,0,1,0,0|1,0,1]=4