0  B17R0.3110  CCCCCCCCCCCC(=O)CCCCC S544108 [0,0,0,0,0,0|1,0,0]=1
1  B16R0.303  CCCCCCCCCCCCNCCCC PH008445 [1,0,0,0,0,0|1,0,1]=3
2  B16R0.303  CCCCCCCCCCCCNCCCN PH000051 [1,0,0,0,0,0|2,0,1]=4
3  B16R0.303  CCCCCCCCCCCCOCCC#N S383473 [1,0,0,0,0,0|1,0,2]=4
4  B16R0.303  CCCCCCCCCCCCOCCCN S392081 [1,0,0,0,0,0|1,0,1]=3
5  B16R0.303  CCCCCCCCCCCCSCCCC S840947 [1,0,0,0,0,0|0,1,1]=3
6  B16R0.303  CCCCCCCCCCCCSCCCCl S840939 [1,0,0,0,0,0|1,1,1]=4
7  B16R0.303  CCCCCCCCCCCCSCCCN S403563 [1,0,0,0,0,0|1,1,1]=4
8  B16R0.303  CCCCCCCCCCCCSCCCO S572314 [1,0,0,0,0,0|1,1,1]=4
9  B16R0.661  CCCCCCCCCCCC(=O)OCCN PH008548 [1,0,0,0,0,0|1,0,0]=2
10  B16R0.661  CCCCCCCCCCCC(O)CCCC S543896 [1,0,0,0,0,0|0,0,2]=3
11  B18R0.233  CCCCCCCCCCCC(=O)NCCN(C)C S421839 [0,1,0,0,0,0|2,0,0]=3
12  B18R1.13791  O=C1CCCCCCCCCCOCCCCO1 CDS009933 [0,0,0,1,0,0|1,0,0]=2
13  B15R0.366  CCCCCCCCCCCC(=O)CCN S236551 [2,0,0,0,0,0|1,0,0]=3
14  B15R0.366  CCOC(=O)CCCCCCCCCCBr S557498 [2,0,0,0,0,0|1,0,0]=3
15  B17R0.12412  CCCCCCCCCCC(=O)CCCCCC S544116 [1,1,0,0,0,0|1,0,0]=3
16  B17R0.117  CCCCCCCCCCCCCCCCNC S595799 [1,1,0,0,0,0|1,0,1]=4
17  B17R0.170  CCCOC(=O)CCCCCCCCC[N+](=O)[O-] T152544 [1,1,0,0,0,0|2,0,0]=4
18  B17R0.192  CCCCCCCCCCCC(=O)OCC(C)C CDS001588 [1,1,0,0,0,0|0,0,0]=2
19  B17R0.192  CCCCCCCCCCCC(=O)OCC(C)O S449210 [1,1,0,0,0,0|0,0,0]=2
20  B19R0.9211  CCCCCCCCCCCC(=O)NCC[N+](C)(C)[O-] S233714 [0,2,0,0,0,0|2,0,0]=4
21  B19R0.26289  CCCCCOC(=O)CCCCCCCCC[N+](=O)[O-] T152501 [0,2,0,0,0,0|2,0,0]=4
22  B19R0.9205  CCCCCCCCCCCC(=O)OCCCN(C)C S233676 [0,2,0,0,0,0|0,0,0]=2
23  B19R0.25648  CCCCCCCCCCCCCC(=O)OCCCC CDS007175 [0,2,0,0,0,0|0,0,0]=2
24  B17R1.1242  CCCCCCCCCCCC1=NCCCS1 PH005947 [1,0,0,1,0,0|1,1,0]=4
25  B17R1.1425  CCCCCCCCCCCCN1CCCC1 R787868 [1,0,0,1,0,0|1,0,1]=4
26  B17R1.1425  CCCCCCCCCCCCN1CCCC1 S236276 [1,0,0,1,0,0|1,0,1]=4
27  B17R1.29093  CCCCCCCCCCCCOCC1CO1 S413658 [1,0,0,1,0,0|1,0,1]=4
28  B19R1.1008  CCCCCCCCCCNC(=O)C1CCCCC1 R676675 [0,1,0,1,0,0|2,0,0]=4