0  B16R0.302  CCCCCCCCCCCC(=O)NC(=O)N S821063 [0,0,0,0,0,0|2,0,2]=4
1  B15R0.164  CCCCCCCCCCC/C=C/C(=O)C PH008562 [1,0,0,0,0,0|1,0,2]=4
2  B15R0.164  CCCCCCCCCCCCOC(=O)N PH007036 [1,0,0,0,0,0|2,0,0]=3
3  B15R0.164  CCCCCCCCCCCNCC(C)O L305669 [1,0,0,0,0,0|2,0,1]=4
4  B15R0.164  CCCCCCCCCCSCCC(=O)O R397288 [1,0,0,0,0,0|1,0,0]=2
5  B14R0.394  CCCCCCCCCCCCC(=N)N PH011812 [2,0,0,0,0,0|2,0,0]=4
6  B14R0.394  CCCCCCCCCCCCC(=O)N S563005 [2,0,0,0,0,0|1,0,0]=3
7  B14R0.394  N#CCCCCCCCCCCC(=O)O R277878 [2,0,0,0,0,0|1,0,1]=4
8  B14R0.392  CCCCCCCCCCCCCC#N S566004 [2,0,0,0,0,0|1,0,1]=4
9  B14R0.392  CCCCCCCCCCCOCCO CDS018221 [2,0,0,0,0,0|1,0,1]=4
10  B14R0.337  CCCCCCCCCCCC([NH3+])CO L498653 [2,0,0,0,0,0|1,0,0]=3
11  B16R0.221  CCCCCCCCCCCCCC(=O)NN PH003665 [1,1,0,0,0,0|1,0,0]=3
12  B16R0.221  CCCCCCCCCCCCCC(N)CO R738093 [1,1,0,0,0,0|1,0,1]=4
13  B16R0.221  CCCCCCCCCCCCNC(=O)CC R343285 [1,1,0,0,0,0|2,0,0]=4
14  B16R0.221  CCCCCCCCCCCCNC(=O)CCl S383287 [1,1,0,0,0,0|2,0,0]=4
15  B16R0.221  CCCCCCCCCCCCOC(=O)CBr PH003659 [1,1,0,0,0,0|2,0,0]=4
16  B16R0.221  CCCCCCCCCCCCOC(=O)CN PH014175 [1,1,0,0,0,0|2,0,0]=4
17  B16R0.221  CCCCCCCCCCCCOC(=O)CS S559288 [1,1,0,0,0,0|1,1,0]=4
18  B16R0.274  CCCCCCCCCCCCCCB(O)O S831565 [1,1,0,0,0,0|1,0,1]=4
19  B16R0.274  CCCCCCCCCCCCCCC(=N)N PH012197 [1,1,0,0,0,0|2,0,0]=4
20  B16R0.274  CCCCCCCCCCCCOCC(=O)O S233773 [1,1,0,0,0,0|0,0,0]=2
21  B16R0.274  CCCCCCCCCCCCSCC(=O)O S233471 [1,1,0,0,0,0|0,0,0]=2
22  B16R0.1188  CCCCCCCCCCCCNP(=O)(O)O PH012137 [1,1,0,0,0,0|2,0,0]=4
23  B16R0.1188  CCCCCCCCCCCCOP(=O)(O)O CDS001542 [1,1,0,0,0,0|2,0,0]=4
24  B16R0.661  C(=O)NCC(O)CCCCCCCCCCC S307998 [1,1,0,0,0,0|0,0,0]=2
25  B16R0.661  CCCCCCCCCCCC(O)CCCC S543896 [1,1,0,0,0,0|1,0,1]=4
26  B16R1.18167  CC(=O)CC1CCCCCCCCCCC1 R395730 [1,0,0,1,0,0|2,0,0]=4
27  B14R0.340  CCCCCCCCCCC(N)C(=O)O PH003648 [1,0,0,0,1,0|1,0,0]=3
28  B14R0.340  CCCCCCCCCCC(O)C(=O)O S742805 [1,0,0,0,1,0|0,0,0]=2