0  B9R0.53  CC(=O)CC(=O)OC(C)C BBL027993 [0,0,0,0,0,0|2,0,1]=3
1  B9R0.53  CC(C)CC(=O)CC(C)C BBL012214 [0,0,0,0,0,0|0,0,0]=0
2  B8R0.5  CC(C)OC(=O)CC#N BBL009730 [1,0,0,0,0,0|2,0,1]=4
3  B8R0.5  CCOC(=O)CC(C)=O BBL012204 [1,0,0,0,0,0|2,0,1]=4
4  B8R0.28  CC(C)CNCC(C)O BBL030081 [1,0,0,0,0,0|2,0,0]=3
5  B8R0.28  CC(C)N=C=NC(C)C BBL028105 [1,0,0,0,0,0|2,0,1]=4
6  B8R0.28  CC(O)CNCC(C)O BBL013266 [1,0,0,0,0,0|3,0,0]=4
7  B10R1.59  CC1=NN(C(C)C)C(=O)C1 BBL028730 [0,0,0,1,0,0|2,0,1]=4
8  B10R1.329  CC1(C)CC(=O)C=C(Cl)C1 BBL028028 [0,0,0,1,0,0|1,0,2]=4
9  B10R1.329  CC1=CC(=O)CC(C)(C)C1 BBL027346 [0,0,0,1,0,0|0,0,2]=3
10  B10R1.329  CC1CC(=O)CC(C)(C)C1 BBL011400 [0,0,0,1,0,0|0,0,0]=1
11  B10R1.329  CC1CC(O)CC(C)(C)C1 BBL027854 [0,0,0,1,0,0|0,0,2]=3
12  B8R0.23  CC(O)CC(O)C(C)C BBL030511 [0,0,0,0,1,0|1,0,2]=4
13  B10R0.96  CC(C)\C=C\C(=O)CC(C)C BBL028261 [0,0,0,0,0,1|0,0,1]=2
14  B7R0.2  CC(C)CC(=O)NN BBL016229 [2,0,0,0,0,0|2,0,0]=4
15  B7R0.2  CC(C)NC(=O)CN BBL030729 [2,0,0,0,0,0|2,0,0]=4
16  B7R0.2  COC(=O)CC(C)C BBL011395 [2,0,0,0,0,0|1,0,0]=3
17  B7R0.7  CCCC(=O)CCC BBL009715 [2,0,0,0,0,0|0,0,0]=2
18  B7R0.7  CCCC(N)CCC BBL003306 [2,0,0,0,0,0|1,0,1]=4
19  B7R0.7  CCNC(=O)CCCl BBL037203 [2,0,0,0,0,0|2,0,0]=4
20  B9R0.4  CNCCC(=O)NC(C)C BBL031766 [1,1,0,0,0,0|1,0,0]=3
21  B9R0.44  CC(C)(C)NC(=O)CCCl BBL037202 [1,1,0,0,0,0|2,0,0]=4
22  B9R0.58  CCOS(=O)(=O)CC(C)C BBL036694 [1,1,0,0,0,0|2,0,0]=4
23  B9R1.34  CC1CC(=O)CC(=O)C1 BBL036984 [1,0,0,1,0,0|1,0,1]=4
24  B9R1.66  CC1(C)CC(=O)CCO1 BBL010566 [1,0,0,1,0,0|1,0,0]=3
25  B9R1.85  CC(C)COCC1CO1 BBL028066 [1,0,0,1,0,0|2,0,0]=4
26  B11R1.166  CC1CCC(C(C)C)C(=O)C1 BBL028090 [0,1,0,1,0,0|0,0,0]=2
27  B11R1.166  CC1CCC(C(C)C)C(O)C1 BBL009325 [0,1,0,1,0,0|0,0,2]=4
28  B11R1.166  [C@@H]1(C)CCC(=C(C)C)C(=O)C1 BBL033995 [0,1,0,1,0,0|0,0,2]=4
29  B11R1.1362  CC1(C)CC(N)CC(C)(C)N1 BBL027553 [0,1,0,1,0,0|1,0,1]=4
30  B7R0.5  CCOC(=O)[C@H](C)O BBL009712 [1,0,0,0,1,0|2,0,0]=4
31  B7R0.6  CN(C)CCN(C)C BBL011565 [1,0,0,0,1,0|2,0,0]=4