0  B9R0.7  O=C(O)CCC(=O)C(=O)O BBL010614 [0,0,0,0,0,0|1,0,1]=2
1  B8R0.8  CCCCC(Br)C(=O)O BBL011383 [1,0,0,0,0,0|2,0,1]=4
2  B8R0.8  CCCCC(N)C(=O)O BBL011583 [1,0,0,0,0,0|1,0,1]=3
3  B8R0.8  CSCCC(N)C(=O)O BBL009323 [1,0,0,0,0,0|2,0,0]=3
4  B8R0.28  CN(C)CCCC(=O)O BBL011871 [1,0,0,0,0,0|3,0,0]=4
5  B8R0.28  O=C(O)CNCC(=O)O BBL027454 [1,0,0,0,0,0|1,0,0]=2
6  B10R0.82  COC(=O)CCC(N)C(=O)O BBL019361 [0,1,0,0,0,0|0,0,0]=1
7  B10R1.13  O=C1CCC(C(=O)O)=NN1 BBL012242 [0,0,0,1,0,0|1,0,2]=4
8  B10R1.58  CN1CC(C(=O)O)CC1=O BBL009745 [0,0,0,1,0,0|3,0,0]=4
9  B10R1.349  CC(=O)N1CC(C(=O)O)C1 BBL036558 [0,0,0,1,0,0|3,0,0]=4
10  B10R1.359  O=C(O)C1CCS(=O)(=O)C1 BBL012835 [0,0,0,1,0,0|2,0,1]=4
11  B8R0.23  C=C(CC(=O)O)C(=O)O BBL011584 [0,0,0,0,1,0|1,0,1]=3
12  B8R0.23  CC(=O)NC(C)C(=O)O BBL007614 [0,0,0,0,1,0|3,0,0]=4
13  B8R0.23  CC(NC(N)=O)C(=O)O BBL027929 [0,0,0,0,1,0|3,0,0]=4
14  B8R0.23  C\C(=C/C(=O)O)C(=O)O BBL023435 [0,0,0,0,1,0|1,0,2]=4
15  B8R0.23  NC(CC(=O)O)C(=O)O BBL002458 [0,0,0,0,1,0|0,0,0]=1
16  B8R0.23  O=C(O)CC(S)C(=O)O BBL011516 [0,0,0,0,1,0|1,0,0]=2
17  B10R0.98  NC(CSCC(=O)O)C(=O)O BBL036318 [0,0,0,0,0,1|0,0,0]=1
18  B7R0.4  NCCCCC(=O)O BBL027702 [2,0,0,0,0,0|1,0,1]=4
19  B7R0.6  CC(=O)CCC(=O)O BBL027404 [2,0,0,0,0,0|1,0,1]=4
20  B7R0.6  O=C(O)CCC(=O)O BBL002473 [2,0,0,0,0,0|1,0,1]=4
21  B9R0.8  COC(=O)C(N)CCSC BBL010083 [1,1,0,0,0,0|2,0,0]=4
22  B9R0.47  CCNCCC(N)C(=O)O BBL009900 [1,1,0,0,0,0|1,0,1]=4
23  B9R0.47  NCCCCC(N)C(=O)O BBL002414 [1,1,0,0,0,0|1,0,1]=4
24  B9R0.53  C\C(=C/C(=O)O)CC(=O)O BBL029414 [1,1,0,0,0,0|0,0,2]=4
25  B9R0.53  NN(CC(=O)O)CC(=O)O BBL011592 [1,1,0,0,0,0|1,0,0]=3
26  B9R0.53  O=C(O)CC(=O)CC(=O)O BBL027398 [1,1,0,0,0,0|0,0,1]=3
27  B9R0.79  O=C(O)C(Br)C(Br)C(=O)O BBL001759 [0,1,0,0,1,0|1,0,0]=3
28  B9R0.79  O=C(O)C(O)C(O)C(=O)O BBL011588 [0,1,0,0,1,0|1,0,0]=3
29  B11R0.206  O=C(O)C(O)C(O)C(O)C(=O)O BBL010728 [0,2,0,0,0,0|1,0,0]=3
30  B9R1.35  O=C1CCC(C(=O)O)N1 BBL011576 [1,0,0,1,0,0|0,0,0]=2
31  B11R1.75  O=C(O)CCC1=NC(O)=NN1 BBL033150 [0,0,0,1,0,1|1,0,1]=4
32  B7R0.16  CC(C(=O)O)C(=O)O BBL027393 [0,0,0,0,2,0|1,0,0]=3
33  B7R0.16  CC(O)C(N)C(=O)O BBL011585 [0,0,0,0,2,0|1,0,1]=4
34  B9R0.55  O=C(O)CCCCC(=O)O BBL011615 [1,0,0,0,0,1|0,0,0]=2
35  B11R0.29  N=C(N)NCCCC(N)C(=O)O BBL028093 [0,0,0,0,0,2|2,0,0]=4
36  B11R0.29  NC(=O)NCCCC(N)C(=O)O BBL027668 [0,0,0,0,0,2|1,0,0]=3