0  B11R0.3  C#CCOCCCCCCCBr D81456 [0,0,0,0,0,0|3,0,1]=4
1  B11R0.3  CCCCCCCCCCNC A11532 [0,0,0,0,0,0|2,0,0]=2
2  B11R0.3  CCCCCCCCSCCO A10652 [0,0,0,0,0,0|1,0,2]=3
3  B11R0.3  CNCCCCCCCCNC D93197 [0,0,0,0,0,0|3,0,0]=3
4  B10R0.71  NCCCCNCCCCN A11493 [1,0,0,0,0,0|3,0,0]=4
5  B12R0.5  C#CCCCCCCCCCCO W16726 [0,1,0,0,0,0|1,0,1]=3
6  B12R0.5  CCOCCCCCCCCCO C12008 [0,1,0,0,0,0|0,0,2]=3
7  B12R0.5  OCCCCCCCCCCCS C76355 [0,1,0,0,0,0|0,0,2]=3
8  B12R0.206  CCCCCCO[C@@H](C)CCCC A11150 [0,1,0,0,0,0|2,0,1]=4
9  B12R0.234  C=CCCCCCCCCC(=O)[O-] C75615 [0,1,0,0,0,0|0,0,2]=3
10  B12R0.234  CC(=O)NCCCNCCCCN 28022 [0,1,0,0,0,0|3,0,0]=4
11  B12R0.234  CCCCCCCCCCC(N)=O Y14687 [0,1,0,0,0,0|0,0,0]=1
12  B12R0.234  COCCOCCOCCC(=O)O W13677 [0,1,0,0,0,0|3,0,0]=4
13  B12R0.248  COC(=O)CCCCCCCC=O S10595 [0,1,0,0,0,0|1,0,1]=3
14  B12R1.8  OCCCCCN1CCCCC1 T72240 [0,0,0,1,0,0|1,0,2]=4
15  B12R1.18  N#CCCN1CCCCCC1=O F14125 [0,0,0,1,0,0|2,0,1]=4
16  B9R0.45  CCCCOCCCCO S11917 [2,0,0,0,0,0|1,0,1]=4
17  B11R0.4  CCOC(=O)CCCCCC=O N10484 [1,1,0,0,0,0|1,0,1]=4
18  B11R0.40  COC(=O)CCCCCCC=O D94271 [1,1,0,0,0,0|1,0,1]=4
19  B11R0.148  C#CCCCCCCCC(=O)O AT18721 [1,1,0,0,0,0|0,0,2]=4
20  B11R0.148  NCCCCCCCCC(=O)O D94864 [1,1,0,0,0,0|1,0,0]=3
21  B13R0.54  C=CCCCCCCCCCC(=O)O I12075 [0,2,0,0,0,0|0,0,1]=3
22  B13R0.54  O=C(O)CCCCCCCCCCCl D86287 [0,2,0,0,0,0|0,0,0]=2
23  B13R0.147  COC(=O)CCCCCCCCC=O F19637 [0,2,0,0,0,0|0,0,1]=3
24  B13R0.165  CCCCCCC(C)CCCCCC D93446 [0,2,0,0,0,0|1,0,1]=4
25  B13R0.336  C#CCCCCCCCCCCCO D92924 [0,2,0,0,0,0|0,0,2]=4
26  B13R0.179  CC(=O)CCCCCCCCC(C)=O D93558 [0,2,0,0,0,0|0,0,1]=3
27  B11R1.4  NCCCCCN1CCCC1 C73117 [1,0,0,1,0,0|2,0,0]=4
28  B11R1.28  BrCCCCC1CCNCC1 56722 [1,0,0,1,0,0|2,0,0]=4
29  B11R1.28  BrCCCCN1CCCCC1 AC7493 [1,0,0,1,0,0|2,0,0]=4
30  B11R1.28  CCCCO[C@@H]1CCCCO1 D80647 [1,0,0,1,0,0|1,0,1]=4
31  B11R1.28  OCCCCC1CCCCC1 F53310 [1,0,0,1,0,0|0,0,1]=3
32  B11R1.28  OCCCCC1CCNCC1 67437 [1,0,0,1,0,0|1,0,1]=4
33  B11R1.28  OCCCCC1CCNCC1 67438 [1,0,0,1,0,0|1,0,1]=4
34  B11R1.28  OCCCC[C@H]1CCCCN1 31923 [1,0,0,1,0,0|1,0,1]=4
35  B13R1.337  O=C(O)CCCCN1CCCCC1 D80932 [0,1,0,1,0,0|1,0,0]=3
36  B13R1.546  COC(=O)[C@@H]1CCCCCCC1=O 33748 [0,1,0,1,0,0|1,0,1]=4
37  B13R2.3  C1CCC([C@@H]2CCCCN2)CC1 AR1016 [0,0,0,2,0,0|1,0,1]=4
38  B13R2.14  O=C1NCCCC12CCCCC2 D79359 [0,0,0,2,0,0|1,0,0]=3
39  B13R2.14  O=C1NCCC[C@@]12CCCCN2 D86897 [0,0,0,2,0,0|2,0,0]=4
40  B13R2.14  O=C1NCCC[C@]12CCCNC2 93528 [0,0,0,2,0,0|2,0,0]=4
41  B13R2.32  CN1C(=O)CCC2CNCCC21 W12225 [0,0,0,2,0,0|2,0,0]=4
42  B13R2.181  O=C1CCCC1C2CCCC2=O D94263 [0,0,0,2,0,0|1,0,1]=4