0  B7R0.1  CCSCCSCC CSC000031094 [0,0,0,0,0,0|2,0,2]=4
1  B8R0.1  CCCCS(=O)CCO CSC000117714 [0,1,0,0,0,0|2,0,1]=4
2  B8R0.4  CCCCCCCSC CSC000033844 [0,1,0,0,0,0|0,0,2]=3
3  B8R0.4  CCCCCCSCC CSC000073868 [0,1,0,0,0,0|0,0,2]=3
4  B8R0.4  CCCCCSCCO CSC011215970 [0,1,0,0,0,0|1,0,1]=3
5  B8R0.4  CCCCSCCCC CSC000025195 [0,1,0,0,0,0|0,0,2]=3
6  B8R0.4  CCSCCOCCO CSC011409966 [0,1,0,0,0,0|2,0,1]=4
7  B8R0.4  CSCCCCCCO CSC012179070 [0,1,0,0,0,0|1,0,1]=3
8  B8R0.4  CSCCCCCSC CSC009866234 [0,1,0,0,0,0|1,0,1]=3
9  B8R0.6  COC(=O)CSCC=C CSC000151546 [0,1,0,0,0,0|2,0,1]=4
10  B8R0.7  CCCCSCC(=C)C CSC000026947 [0,1,0,0,0,0|1,0,0]=2
11  B8R0.7  CCCCSCC(C)C CSC000018356 [0,1,0,0,0,0|1,0,2]=4
12  B9R0.4  CC(C)CC(=O)OCC=C CSC000006416 [0,2,0,0,0,0|1,0,1]=4
13  B9R0.18  CCCCN(C)CCCC CSC000020957 [0,2,0,0,0,0|0,0,2]=4
14  B9R0.18  CCCCN(C)CCCN CSC011191814 [0,2,0,0,0,0|1,0,1]=4
15  B9R0.18  CCCCS(=O)CCCC CSC000031468 [0,2,0,0,0,0|0,0,2]=4
16  B9R0.18  CCCNC(=O)NCC=C CSC000178634 [0,2,0,0,0,0|1,0,1]=4
17  B9R0.2  CCCCCCCC(=O)N CSC011216093 [0,2,0,0,0,0|0,0,1]=3
18  B9R0.2  CCCCCCOC(=O)C CSC000032130 [0,2,0,0,0,0|0,0,1]=3
19  B9R0.2  CCOCCCNC(=O)C CSC000161218 [0,2,0,0,0,0|1,0,1]=4
20  B9R0.45  CCCCCCSCCO CSC011304839 [0,2,0,0,0,0|0,0,2]=4
21  B9R0.45  CCCCSCCOCC CSC000053094 [0,2,0,0,0,0|0,0,2]=4
22  B9R0.45  CCSCCCCSCC CSC000116838 [0,2,0,0,0,0|0,0,2]=4
23  B9R0.45  CSCCCCCCSC CSC000036278 [0,2,0,0,0,0|0,0,2]=4
24  B9R0.46  CCCCCCC(=O)NN CSC011221127 [0,2,0,0,0,0|1,0,0]=3
25  B9R0.46  CCCCCCC(=O)OC CSC011215249 [0,2,0,0,0,0|0,0,1]=3
26  B9R0.46  CCCCCNC(=O)CC CSC000157985 [0,2,0,0,0,0|1,0,1]=4
27  B9R0.46  CCCCCOC(=O)CC CSC000031694 [0,2,0,0,0,0|1,0,1]=4
28  B9R0.46  CCCCSCC(O)CO CSC011995958 [0,2,0,0,0,0|1,0,1]=4
29  B9R1.6  NC(=O)C1CCSCC1 CSC000072764 [0,1,0,1,0,0|2,0,0]=4