0  B7R0.1  CCSCCSCC CSC000031094 [0,0,0,0,0,0|4,0,0]=4
1  B8R0.1  CCCCS(=O)CCO CSC000117714 [0,1,0,0,0,0|0,1,0]=2
2  B8R0.4  CCCCCCCSC CSC000033844 [0,1,0,0,0,0|1,1,0]=3
3  B8R0.4  CCCCCCSCC CSC000073868 [0,1,0,0,0,0|2,0,0]=3
4  B8R0.4  CCCCCSCCO CSC011215970 [0,1,0,0,0,0|0,1,0]=2
5  B8R0.4  CCCCSCCCC CSC000025195 [0,1,0,0,0,0|1,1,0]=3
6  B8R0.4  CCSCCOCCO CSC011409966 [0,1,0,0,0,0|0,0,0]=1
7  B8R0.4  CSCCCCCCO CSC012179070 [0,1,0,0,0,0|1,0,0]=2
8  B8R0.4  CSCCCCCSC CSC009866234 [0,1,0,0,0,0|2,1,0]=4
9  B8R0.7  CCCCSCC(=C)C CSC000026947 [0,1,0,0,0,0|1,1,1]=4
10  B8R0.7  CCCCSCC(C)C CSC000018356 [0,1,0,0,0,0|1,1,0]=3
11  B9R0.4  CCCOC(=O)CC(C)C CSC000170144 [0,2,0,0,0,0|1,0,1]=4
12  B9R0.5  CCCCNC(=O)COC CSC000159063 [0,2,0,0,0,0|1,0,1]=4
13  B9R0.5  CCCCOC(=O)CCC CSC011212260 [0,2,0,0,0,0|1,0,0]=3
14  B9R0.5  COCCNC(C)COC CSC000743196 [0,2,0,0,0,0|2,0,0]=4
15  B9R0.8  CCCOC(=O)C(C)CC CSC011213261 [0,2,0,0,0,0|1,0,1]=4
16  B9R0.18  CCCCC(=O)OCCC CSC000169915 [0,2,0,0,0,0|1,0,0]=3
17  B9R0.18  CCCCN(C)CCCC CSC000020957 [0,2,0,0,0,0|2,0,0]=4
18  B9R0.18  CCCCN(C)CCCN CSC011191814 [0,2,0,0,0,0|2,0,0]=4
19  B9R0.18  CCCCS(=O)CCCC CSC000031468 [0,2,0,0,0,0|1,1,0]=4
20  B9R0.34  CCCC(=O)OC(C)CC CSC000062825 [0,2,0,0,0,0|1,0,1]=4
21  B9R0.40  CCCC(CC)NCCO CSC011608062 [0,2,0,0,0,0|1,0,0]=3
22  B9R0.40  CCCCN(CC)CCN CSC011208488 [0,2,0,0,0,0|2,0,0]=4
23  B9R0.48  CCCC(=O)OCC(C)C CSC000005790 [0,2,0,0,0,0|1,0,1]=4
24  B9R0.66  CCCCS(=O)(=O)CCO CSC000106901 [0,2,0,0,0,0|0,1,0]=3
25  B9R0.2  CCCCCCCC(=O)N CSC011216093 [0,2,0,0,0,0|1,0,1]=4
26  B9R0.45  CCCCCCSCCO CSC011304839 [0,2,0,0,0,0|0,1,0]=3
27  B9R0.45  CCCCSCCOCC CSC000053094 [0,2,0,0,0,0|0,1,0]=3
28  B9R0.45  CCSCCCCSCC CSC000116838 [0,2,0,0,0,0|2,0,0]=4
29  B9R0.45  CSCCCCCCSC CSC000036278 [0,2,0,0,0,0|1,1,0]=4
30  B9R0.46  CCCCCCC(=O)OC CSC011215249 [0,2,0,0,0,0|1,0,1]=4
31  B9R0.46  CCCCCOC(=O)CC CSC000031694 [0,2,0,0,0,0|1,0,1]=4
32  B9R0.46  CCCCSCC(O)CO CSC011995958 [0,2,0,0,0,0|0,1,0]=3
33  B9R0.47  CCCCOC(=O)C(C)C CSC011212254 [0,2,0,0,0,0|1,0,1]=4
34  B9R1.8  NCCN1CCSCC1 CSC000755026 [0,1,0,1,0,0|2,0,0]=4
35  B9R1.12  OCCNC1CCSC1 CSC000200495 [0,1,0,1,0,0|1,0,0]=3
36  B9R1.13  CS(=O)CC1CCCO1 CSC009859342 [0,1,0,1,0,0|2,0,0]=4