0  B9R0.47  C=CCSCC(N)C(=O)O Amb22231426 [0,0,0,0,0,0|2,0,2]=4
1  B9R0.47  NCCCCC(N)C(=O)O Amb3940874 [0,0,0,0,0,0|2,0,0]=2
2  B8R0.6  CCCCCC(O)CC Amb25708717 [1,0,0,0,0,0|2,0,1]=4
3  B8R0.8  CSCCC(N)C(=O)O Amb2720567 [1,0,0,0,0,0|2,0,0]=3
4  B8R0.8  CSCCC(N)C(=O)O Amb5720611 [1,0,0,0,0,0|2,0,0]=3
5  B8R0.8  NCCCC(N)C(=O)O Amb6600152 [1,0,0,0,0,0|2,0,0]=3
6  B8R0.8  NCCCC(N)C(=O)O Amb8513279 [1,0,0,0,0,0|2,0,0]=3
7  B10R0.98  NC(CCCC(=O)O)C(=O)O Amb6334822 [0,1,0,0,0,0|2,0,1]=4
8  B10R1.113  CN1CCC=C(C(=O)O)C1 Amb9809973 [0,0,0,1,0,0|1,0,2]=4
9  B10R0.6  CCCCCC(O)CC(=O)O Amb18797787 [0,0,0,0,0,1|1,0,0]=2
10  B7R0.1  CCCCCCC=O Amb3939948 [2,0,0,0,0,0|0,0,0]=2
11  B7R0.1  CCCC\C=C\C=O Amb30526847 [2,0,0,0,0,0|0,0,2]=4
12  B7R0.1  NCCCCCCO Amb2720515 [2,0,0,0,0,0|1,0,1]=4
13  B7R0.4  CCCCCC(=O)O Amb3939846 [2,0,0,0,0,0|0,0,0]=2
14  B7R0.4  CCCCCC(C)C Amb8513253 [2,0,0,0,0,0|0,0,1]=3
15  B7R0.4  CCC\C=C\C(=O)O Amb2688715 [2,0,0,0,0,0|0,0,2]=4
16  B7R0.4  NCCCCC(=O)O Amb3941646 [2,0,0,0,0,0|1,0,0]=3
17  B7R0.5  CCCC(N)C(=O)O Amb8514700 [2,0,0,0,0,0|1,0,0]=3
18  B7R0.5  CCCC(N)C(=O)O Amb8514701 [2,0,0,0,0,0|1,0,0]=3
19  B7R0.5  CC\C=C(/C)C(=O)O Amb2689584 [2,0,0,0,0,0|0,0,2]=4
20  B7R0.5  NC(CCO)C(=O)O Amb6600040 [2,0,0,0,0,0|2,0,0]=4
21  B7R0.5  NC(CCO)C(=O)O Amb8514287 [2,0,0,0,0,0|2,0,0]=4
22  B7R0.5  NC(CCS)C(=O)O Amb6600039 [2,0,0,0,0,0|2,0,0]=4
23  B9R0.2  CCCCCCCC(=O)O Amb3940371 [1,1,0,0,0,0|0,0,0]=2
24  B9R0.55  O=C(O)CCCCC(=O)O Amb2793031 [1,1,0,0,0,0|1,0,1]=4
25  B9R0.7  CS(=O)CCC(N)C(=O)O Amb19133021 [1,1,0,0,0,0|2,0,0]=4
26  B11R0.2  CCC\C=C/CC(N)CC(=O)O Amb8398011 [0,1,0,0,0,1|1,0,1]=4
27  B11R0.6  CC(C)=CCCC(C)CC(=O)O Amb2720520 [0,1,0,0,0,1|0,0,2]=4
28  B11R0.139  CCCCCC(O)C(O)C(=O)O Amb22329600 [0,1,0,0,0,1|1,0,0]=3
29  B11R0.117  O=C(O)C(O)CC(O)C(O)CO Amb30867267 [0,2,0,0,0,0|2,0,0]=4
30  B11R0.141  CCNC(=O)CCC(N)C(=O)O Amb19134042 [0,2,0,0,0,0|1,0,1]=4
31  B11R0.141  CCNC(=O)CCC(N)C(=O)O Amb8390594 [0,2,0,0,0,0|1,0,1]=4
32  B9R1.6  O=C(O)C1CCCCN1 Amb2690345 [1,0,0,1,0,0|1,0,0]=3
33  B9R1.6  O=C(O)C1CCCCN1 Amb8515100 [1,0,0,1,0,0|1,0,0]=3
34  B9R1.6  O=C(O)C1CCCCN1 Amb9703161 [1,0,0,1,0,0|1,0,0]=3
35  B9R1.35  O=C(O)C1CC(O)CN1 Amb5718663 [1,0,0,1,0,0|2,0,0]=4
36  B9R1.163  [NH3+]C1(C(=O)O)CC[NH2+]C1 Amb22583868 [1,0,0,1,0,0|2,0,0]=4
37  B11R1.27  CCCCCC1CCC(=O)O1 Amb569744 [0,0,0,1,0,1|1,0,0]=3
38  B11R1.3  NCC1CCC(C(=O)O)CC1 Amb3940763 [0,1,0,1,0,0|1,0,0]=3
39  B11R0.46  CCCCCC(=O)CCC(=O)O Amb4330519 [0,0,0,0,0,2|1,0,1]=4
40  B11R0.46  CCCCCC(O)\C=C\C(=O)O Amb10549834 [0,0,0,0,0,2|1,0,0]=3