0  B7R0.1  C(=O)NCCCOC S363286 [0,0,0,0,0,0|0,2,2]=4
1  B7R0.1  CCCCCC[Hg]Cl S572519 [0,0,0,0,0,0|4,0,0]=4
2  B7R0.1  CCCCCON=O CDS000385 [0,0,0,0,0,0|3,1,0]=4
3  B7R0.1  CNCCCCCO PH007838 [0,0,0,0,0,0|2,1,1]=4
4  B7R0.1  COCCCCCO PH003271 [0,0,0,0,0,0|1,2,1]=4
5  B7R0.1  COCCCN=C=S S648965 [0,0,0,0,0,0|0,1,0]=1
6  B6R0.6  C=C=CCCCO CVT00100 [1,0,0,0,0,0|2,1,0]=4
7  B6R0.6  CCCCCSC S357952 [1,0,0,0,0,0|1,0,1]=3
8  B6R0.6  CCCCNC=O S550981 [1,0,0,0,0,0|0,1,2]=4
9  B6R0.6  CCCCSC#N S449814 [1,0,0,0,0,0|2,0,1]=4
10  B6R0.6  COCCCC=O CDS022820 [1,0,0,0,0,0|0,2,1]=4
11  B6R0.6  COCCN=C=O CBR02010 [1,0,0,0,0,0|0,2,0]=3
12  B6R0.6  [C-]#[N+]CCCOC PH015420 [1,0,0,0,0,0|0,1,2]=4
13  B8R0.4  CCCCCCCSC S570729 [0,1,0,0,0,0|2,0,1]=4
14  B8R0.4  CSCCCCCCO S931667 [0,1,0,0,0,0|1,1,1]=4
15  B8R0.4  CSCCCCCSC S375896 [0,1,0,0,0,0|1,0,2]=4
16  B8R0.6  COC(=O)CCN=C=O PH010957 [0,1,0,0,0,0|0,2,1]=4
17  B8R0.7  COCCCNC(=S)N S649139 [0,1,0,0,0,0|0,1,2]=4
18  B8R1.8  S=C=NC1CCCC1 CDS000716 [0,0,0,1,0,0|1,0,0]=2
19  B5R0.2  CCC/C=N/O S429139 [2,0,0,0,0,0|0,1,1]=4
20  B5R0.2  CCCCSC S447420 [2,0,0,0,0,0|0,0,1]=3
21  B5R0.2  CCCC[Hg]Cl S829617 [2,0,0,0,0,0|2,0,0]=4
22  B5R0.2  CNCCCBr PH013730 [2,0,0,0,0,0|2,0,0]=4
23  B5R0.2  COCCSC S698245 [2,0,0,0,0,0|1,0,1]=4
24  B5R0.2  CSCCC#N T160407 [2,0,0,0,0,0|0,0,2]=4
25  B7R0.4  CCCCNC(=S)N S565970 [1,1,0,0,0,0|0,0,2]=4
26  B7R0.4  CSCCCC(=O)O OTV000795 [1,1,0,0,0,0|0,1,1]=4
27  B7R0.7  CSCC(O)CSC R227919 [1,1,0,0,0,0|1,0,1]=4
28  B9R0.5  CCOC(=O)CCN=C=S CDS000897 [0,2,0,0,0,0|0,1,1]=4
29  B9R0.45  CCCCCCCN=C=S PH011071 [0,2,0,0,0,0|1,0,0]=3
30  B7R1.3  CC1=NCCCS1 PH000571 [1,0,0,1,0,0|1,0,1]=4
31  B7R1.3  O=S1CCCSC1 S885002 [1,0,0,1,0,0|1,1,0]=4
32  B7R1.3  OC1CCCSC1 S461172 [1,0,0,1,0,0|0,1,1]=4
33  B7R1.6  O=C=NC1CCC1 CDS019187 [1,0,0,1,0,0|0,1,0]=3
34  B7R1.24  C1CNCCSC1 SYX00228 [1,0,0,1,0,0|0,0,2]=4
35  B9R1.12  O=C=NCC1CCCO1 CDS023181 [0,1,0,1,0,0|1,1,0]=4
36  B9R1.12  S=C=NCC1CCCO1 S648973 [0,1,0,1,0,0|1,0,0]=3