0  B6R1.2  IC1CCOC1 CC76011 [0,0,0,0,0,0|2,0,1]=3
1  B6R1.2  O=C1CCOC1 MO08444 [0,0,0,0,0,0|1,0,0]=1
2  B7R1.1  CSC1=NCCN1 DP01481 [0,1,0,0,0,0|2,1,0]=4
3  B7R1.1  N#CN1CCCC1 SB00582 [0,1,0,0,0,0|2,0,0]=3
4  B7R1.2  NC1=NC(=O)CS1 RH00879 [0,1,0,0,0,0|2,0,1]=4
5  B7R1.4  CC1OCCC1=O SB01113 [0,1,0,0,0,0|1,0,0]=2
6  B5R0.2  CCCN=C=S TL01934 [0,0,1,0,0,0|1,1,1]=4
7  B5R0.3  C#CC(=O)OC SB01817 [0,0,1,0,0,0|1,0,2]=4
8  B5R0.3  CCC(C)CN SB01376 [0,0,1,0,0,0|2,0,1]=4
9  B7R1.3  IC1CCOCC1 CC29911 [0,0,0,0,0,1|1,0,1]=3
10  B7R1.3  IC1CCSCC1 CC61911 [0,0,0,0,0,1|1,0,1]=3
11  B7R1.3  O=C1CCOCC1 SB01650 [0,0,0,0,0,1|0,0,0]=1
12  B7R1.3  OC1CCSCC1 CC61915 [0,0,0,0,0,1|0,0,2]=3
13  B4R0.1  NC(=O)CS GK00437 [1,0,1,0,0,0|2,0,0]=4
14  B4R0.2  CSCCN CD06838 [1,0,1,0,0,0|2,0,0]=4
15  B6R0.1  CCC\C(N)=N\O MO07267 [0,1,1,0,0,0|1,0,1]=4
16  B6R0.2  CC(C)CC(N)=O BTB12988 [0,1,1,0,0,0|1,0,0]=3
17  B8R1.2  BrCC1CCOCC1 CC29908 [0,1,0,0,0,1|1,0,1]=4
18  B8R1.2  ICC1CCOCC1 CC29940 [0,1,0,0,0,1|1,0,1]=4
19  B8R1.2  N#CC1CCSCC1 CC61916 [0,1,0,0,0,1|1,0,1]=4
20  B8R1.2  NCC1CCCCO1 CC41213 [0,1,0,0,0,1|1,0,1]=4
21  B8R1.2  NCC1CCOCC1 CC29913 [0,1,0,0,0,1|1,0,1]=4
22  B8R1.2  NCC1CCSCC1 CC61963 [0,1,0,0,0,1|1,0,1]=4
23  B8R1.2  O=CC1=COCCC1 KM03842 [0,1,0,0,0,1|0,0,1]=3
24  B8R1.2  OCC1CCOCC1 CC29909 [0,1,0,0,0,1|0,0,2]=4
25  B8R1.2  OCC1CCSCC1 CC61909 [0,1,0,0,0,1|0,0,2]=4
26  B8R1.3  CC1=NNC(=O)CC1 BTB06143 [0,1,0,0,0,1|1,0,1]=4
27  B8R1.3  CN1CCN(N)CC1 AC10403 [0,1,0,0,0,1|2,0,0]=4
28  B8R1.3  O=C1COC(=O)CO1 SB01616 [0,1,0,0,0,1|1,0,1]=4
29  B8R1.72  CC1(C)CCCNC1 MAY00227 [0,1,0,0,0,1|1,0,1]=4
30  B8R1.7  N=C(N)N1CCCC1 KM00683 [0,2,0,0,0,0|2,0,0]=4
31  B8R1.8  S=C=NC1CCCC1 TL00485 [0,2,0,0,0,0|0,1,1]=4
32  B8R1.51  NC1CCS(=O)(=O)C1 RJC02399 [0,2,0,0,0,0|1,0,0]=3