0  B11R0.148  C#CCCCCCCCC(=O)O AT18721 [0,0,0,0,0,0|2,0,2]=4
1  B11R0.148  CCCC\C=C/CCOC(C)=O D93562 [0,0,0,0,0,0|0,0,2]=2
2  B11R0.148  NCCCCCCCCC(=O)O D94864 [0,0,0,0,0,0|3,0,0]=3
3  B10R0.4  CC(=O)NCCCCCCN D93510 [1,0,0,0,0,0|2,0,0]=3
4  B10R0.4  O=C(O)CCCCCCCO S10749 [1,0,0,0,0,0|2,0,0]=3
5  B12R0.4  CCCCCCC[C@H](O)CC(=O)O A10886 [0,1,0,0,0,0|2,0,0]=3
6  B12R0.119  CCCCCCCCOP(=O)(O)O N11880 [0,1,0,0,0,0|2,0,0]=3
7  B12R0.233  CCCCCC(=O)CCCC(=O)O Y13481 [0,1,0,0,0,0|2,0,1]=4
8  B12R0.234  C=CCCCCCCCCC(=O)[O-] C75615 [0,1,0,0,0,0|2,0,1]=4
9  B12R0.234  CC(=O)NCCCNCCCCN 28022 [0,1,0,0,0,0|2,0,0]=3
10  B12R0.234  CCCCCCCCCCC(N)=O Y14687 [0,1,0,0,0,0|2,0,0]=3
11  B12R0.248  COC(=O)CCCCCCCC=O S10595 [0,1,0,0,0,0|2,0,1]=4
12  B12R0.251  CCCCCCCC[C@H](N)C(=O)O W18677 [0,1,0,0,0,0|2,0,0]=3
13  B12R0.268  CC(C)CCCCCCCC(=O)O A11263 [0,1,0,0,0,0|2,0,0]=3
14  B12R0.277  CCOC(=O)CCCCCC(C)=O A11116 [0,1,0,0,0,0|2,0,1]=4
15  B12R1.1343  O=C(O)CCN1CCCCCC1 D82188 [0,0,0,1,0,0|3,0,0]=4
16  B9R0.2  CCCCCCCC(=O)[O-] F12023 [2,0,0,0,0,0|1,0,0]=3
17  B11R0.30  CC(=O)CCCCCCC(C)=O C73196 [1,1,0,0,0,0|0,0,1]=3
18  B11R0.40  COC(=O)CCCCCCC#N D93832 [1,1,0,0,0,0|1,0,1]=4
19  B11R0.40  COC(=O)CCCCCCC=O D94271 [1,1,0,0,0,0|1,0,1]=4
20  B11R0.40  COC(=O)CCCCCCCBr D94848 [1,1,0,0,0,0|1,0,0]=3
21  B11R0.42  CCCCCCC[C@H](N)C(=O)O W18676 [1,1,0,0,0,0|1,0,0]=3
22  B11R0.159  CCCCCCCOC(C)(C)C D93125 [1,1,0,0,0,0|1,0,1]=4
23  B11R0.3  CCCCCCCCCCNC A11532 [1,1,0,0,0,0|1,0,1]=4
24  B11R0.3  CCCCCCCCSCCO A10652 [1,1,0,0,0,0|0,1,1]=4
25  B11R0.3  CNCCCCCCCCNC D93197 [1,1,0,0,0,0|2,0,0]=4
26  B13R0.54  C=CCCCCCCCCCC(=O)O I12075 [0,2,0,0,0,0|2,0,0]=4
27  B13R0.54  O=C(O)CCCCCCCCCCCl D86287 [0,2,0,0,0,0|2,0,0]=4
28  B13R0.147  COC(=O)CCCCCCCCC=O F19637 [0,2,0,0,0,0|1,0,1]=4
29  B13R0.179  CC(=O)CCCCCCCCC(C)=O D93558 [0,2,0,0,0,0|1,0,0]=3
30  B11R1.86  CN1CCCC[C@@H]1CC(=O)O 33486 [1,0,0,1,0,0|2,0,0]=4
31  B13R1.55  CCCCC[C@H]1CC(=O)C=C(O)C1 Y10179 [0,1,0,1,0,0|1,0,1]=4
32  B13R1.337  O=C(O)CCCCN1CCCCC1 D80932 [0,1,0,1,0,0|2,0,0]=4
33  B13R1.6268  CS(=O)(=O)OCC1CCCCCC1 W15867 [0,1,0,1,0,0|1,0,0]=3
34  B13R1.9  CCCCCCC1CCC(=O)CC1 W17270 [0,1,0,1,0,0|1,0,0]=3
35  B13R1.6192  N[C@@H](CC1CCCCCC1)C(=O)O P20260 [0,1,0,1,0,0|2,0,0]=4
36  B13R2.11128  O=C1CC2(CCNCC2)CCN1 O10929 [0,0,0,2,0,0|2,0,0]=4
37  B13R2.11128  O=C1CC2(CCNCC2)CCN1 P18363 [0,0,0,2,0,0|2,0,0]=4
38  B13R2.11128  O=C1NC2(CCNCC2)CCO1 P13183 [0,0,0,2,0,0|2,0,0]=4
39  B13R2.1287  CC(=O)O[C@H]1CN2CCC1CC2 C10638 [0,0,0,2,0,0|1,0,0]=3