0  B10R0.3  CC(=CCC\C(=C/CO)\C)C A19808 [0,0,0,0,0,0|0,0,0]=0
1  B10R0.3  CC(=CCC\C(=C\C=O)\C)C A16169 [0,0,0,0,0,0|0,0,2]=2
2  B10R0.3  CC(=CCC\C(=C\CBr)\C)C A14093 [0,0,0,0,0,0|1,0,0]=1
3  B10R0.3  CC(=CCC\C(=C\CO)\C)C A13736 [0,0,0,0,0,0|0,0,0]=0
4  B10R0.3  CC(CCC=C(C)C)CC=O L15753 [0,0,0,0,0,0|0,0,4]=4
5  B10R0.3  CC(CCC=C(C)C)CCO A19016 [0,0,0,0,0,0|0,0,2]=2
6  B10R0.3  C[C@@H](CCC=C(C)C)CCO H60174 [0,0,0,0,0,0|0,0,2]=2
7  B9R0.1  CC(CCC=C(C)C)C=O 17773 [1,0,0,0,0,0|0,0,2]=3
8  B9R0.2  CC\C=C/CCOC(=O)C A19380 [1,0,0,0,0,0|3,0,0]=4
9  B11R0.6  CC(=CCC\C(=C\C(=O)O)\C)C A18750 [0,1,0,0,0,0|0,0,1]=2
10  B11R0.6  CC(CCC=C(C)C)CC(=O)O B22862 [0,1,0,0,0,0|0,0,3]=4
11  B8R0.28  CC(=CCCC(=O)C)C A13335 [2,0,0,0,0,0|0,0,1]=3
12  B8R0.28  CC(=CCOC(=O)C)C A18958 [2,0,0,0,0,0|1,0,1]=4
13  B8R0.28  CC(CCC=C(C)C)O L09181 [2,0,0,0,0,0|0,0,1]=3
14  B8R0.28  C[C@@H](CCC=C(C)C)O L18884 [2,0,0,0,0,0|0,0,1]=3
15  B8R0.28  C[C@H](CCC=C(C)C)O L18883 [2,0,0,0,0,0|0,0,1]=3
16  B8R0.4  CCCCC\C=C\CO A15960 [2,0,0,0,0,0|0,0,2]=4
17  B10R0.65  CC(=CCCC(C)(C=C)O)C A14424 [1,1,0,0,0,0|0,0,2]=4
18  B12R0.240  CC(=CCC\C(=C\C(=O)OC)\C)C A19218 [0,2,0,0,0,0|0,0,1]=3
19  B10R1.13  CC1=CCC(CC1)C(=C)C 45805 [1,0,0,1,0,0|0,0,2]=4
20  B10R1.13  CC1=CC[C@@H](CC1)C(=C)C L04733 [1,0,0,1,0,0|0,0,2]=4
21  B10R1.13  CC1=CC[C@H](CC1)C(=C)C L13244 [1,0,0,1,0,0|0,0,2]=4
22  B10R1.245  Cc1cccc(c1CO)C H61409 [1,0,0,1,0,0|0,0,2]=4
23  B10R1.30  Cc1ccc(c(c1)CO)C L01624 [0,0,0,1,1,0|0,0,2]=4