0  B12R0.337  CCCCC(C(=O)C)C(=O)OCC E156528 [0,0,0,0,0,0|0,0,0]=0
1  B12R0.337  CCOC=C(C(=O)C)C(=O)OCC E156217 [0,0,0,0,0,0|1,0,2]=3
2  B11R0.36  CCCCN(CCCC)C(=O)C N167570 [1,0,0,0,0,0|2,0,1]=4
3  B11R0.191  CCCCC(CC)C(=O)OC=C V162953 [1,0,0,0,0,0|0,0,3]=4
4  B13R0.753  CCOC(=O)C(C(=O)C)C(=O)OCC D119375 [0,1,0,0,0,0|1,0,1]=3
5  B13R1.463  CCOC(=O)C1CCCCCC1=O E404398 [0,0,0,1,0,0|0,0,0]=1
6  B13R1.1511  CCOC(=O)C1CCC(=O)C=C1C E135921 [0,0,0,1,0,0|2,0,1]=4
7  B10R0.101  CCC(C(=O)C)C(=O)OCC E139068 [2,0,0,0,0,0|0,0,0]=2
8  B10R0.17  CCCCC(C(=O)O)C(=O)O B152310 [2,0,0,0,0,0|1,0,0]=3
9  B10R0.19  CCCCC(C(=O)OCC)Br E117976 [2,0,0,0,0,0|1,0,0]=3
10  B10R0.19  CCOC(=O)C(CCSC)N S169307 [2,0,0,0,0,0|2,0,0]=4
11  B12R0.158  CC(=O)C(CC(=O)OC)C(=O)OC D155592 [1,1,0,0,0,0|1,0,1]=4
12  B14R0.1144  CCOC(=O)C(C(=O)OCC)NC(=O)C D117538 [0,1,0,0,0,1|1,0,1]=4
13  B14R0.2196  CCCCCCC(C(=O)C)C(=O)OCC E156409 [0,2,0,0,0,0|0,0,0]=2
14  B14R0.1084  CCCCC(C(=O)OCC)C(=O)OCC D154202 [0,2,0,0,0,0|0,0,0]=2
15  B14R0.1084  CCOC(=O)C(CCC#N)C(=O)OCC D120380 [0,2,0,0,0,0|1,0,1]=4
16  B14R0.1084  CCOC(=O)C(CCCCl)C(=O)OCC D168153 [0,2,0,0,0,0|1,0,0]=3
17  B12R1.308  CCOC(=O)C1=C(OCCC1)C E156324 [1,0,0,1,0,0|0,0,2]=4
18  B12R1.308  CCOC(=O)C1CCCCC1=O E124434 [1,0,0,1,0,0|0,0,0]=2
19  B12R1.308  CCOC(=O)C1CCCCN1C E156318 [1,0,0,1,0,0|2,0,0]=4
20  B12R1.308  CCOC(=O)C1CCCNC1=O E135104 [1,0,0,1,0,0|1,0,0]=3
21  B12R1.308  CCOC(=O)C1CCNCC1=O E186277 [1,0,0,1,0,0|1,0,0]=3
22  B12R1.308  CCOC(=O)C1CNCCC1=O C113897 [1,0,0,1,0,0|1,0,0]=3
23  B12R1.1599  CCOC(=O)C1(CCC1)C(=O)O E589432 [1,0,0,1,0,0|1,0,0]=3
24  B12R1.365  COC(=O)C1CCCCCC1=O M474784 [1,0,0,1,0,0|0,0,0]=2
25  B12R1.16  CCOC(=O)C1CCC(CC1)N E357363 [1,0,0,1,0,0|1,0,1]=4
26  B12R1.16  CCOC(=O)C1CCC(CC1)O C590101 [1,0,0,1,0,0|1,0,1]=4
27  B12R1.16  CCOC(=O)C1CCC(CC1)O E102127 [1,0,0,1,0,0|1,0,1]=4
28  B12R1.16  CCOC(=O)C1CCC(CC1)O E137583 [1,0,0,1,0,0|1,0,1]=4
29  B12R1.16  CCOC(=O)C1CCC(CC1)O E591039 [1,0,0,1,0,0|1,0,1]=4
30  B12R1.16  CCOC(=O)C1CCN(CC1)C E168944 [1,0,0,1,0,0|1,0,1]=4
31  B12R0.247  CC(=O)NC(CCSC)C(=O)OC A588860 [1,0,0,0,0,1|1,0,0]=3
32  B14R0.2537  CCCCN(CCC(=O)OCC)C(=O)C E303884 [0,0,0,0,0,2|1,0,0]=3