0  B8R0.4  NCCCCCCCO D74762 [1,0,0,0,0,0|1,0,0]=2
1  B10R0.4  C#CCCCCCCC(=O)O AT18741 [0,1,0,0,0,0|0,0,3]=4
2  B10R0.71  NCCCCCNCCCN F51687 [0,1,0,0,0,0|2,0,0]=3
3  B10R0.74  COC(=O)CCCCCCO W16829 [0,1,0,0,0,0|1,0,1]=3
4  B9R0.2  NC(=O)CCCCCCO AC4329 [1,1,0,0,0,0|1,0,1]=4
5  B9R0.5  CCCCNC(=O)CCC D86376 [1,1,0,0,0,0|1,0,1]=4
6  B11R0.4  CCOC(=O)CCCCCCCl AC9325 [0,2,0,0,0,0|1,0,1]=4
7  B11R0.176  O=C(O)CCCC[C@H](S)CCS 68441 [0,2,0,0,0,0|1,0,1]=4
8  B11R0.148  CCCCCCCCC[N+](=O)[O-] AT10296 [0,2,0,0,0,0|0,0,1]=3
9  B11R0.148  CCCCCCC\C=C/C(=O)O D86947 [0,2,0,0,0,0|0,0,2]=4
10  B11R0.148  O=CCCCCCCCC(=O)O C74321 [0,2,0,0,0,0|0,0,2]=4
11  B9R1.5  CC1CNCCCC1O 73109 [1,0,0,1,0,0|1,0,0]=3
12  B9R1.8  CCCN1CCNCC1 D87901 [1,0,0,1,0,0|2,0,0]=4
13  B9R1.8  CCC[C@H]1CCCCN1 Y10909 [1,0,0,1,0,0|1,0,0]=3
14  B9R1.8  COC[C@H]1CCCCN1 C76178 [1,0,0,1,0,0|2,0,0]=4
15  B9R1.8  COC[C@H]1CNCCO1 C72983 [1,0,0,1,0,0|2,0,0]=4
16  B9R1.15  CN1CCOC[C@@H]1CO 77627 [1,0,0,1,0,0|2,0,0]=4
17  B9R1.15  CO[C@H]1CCCC[C@H]1N P20242 [1,0,0,1,0,0|2,0,0]=4
18  B9R1.15  C[C@@H]1OCCN[C@H]1CO 77688 [1,0,0,1,0,0|2,0,0]=4
19  B9R1.15  NC1CCOCC1CO P19367 [1,0,0,1,0,0|2,0,0]=4
20  B9R1.15  N[C@H]1CCCC[C@@H]1CO AC1009 [1,0,0,1,0,0|1,0,0]=3
21  B9R1.15  N[C@H]1CCCC[C@H]1CO F18294 [1,0,0,1,0,0|1,0,0]=3
22  B9R1.15  OC[C@@H]1CCNC[C@@H]1F 37990 [1,0,0,1,0,0|2,0,0]=4
23  B9R1.89  OC[C@H]1CNCCCO1 32455 [1,0,0,1,0,0|2,0,0]=4
24  B9R1.89  OC[C@H]1CNCCCO1 53531 [1,0,0,1,0,0|2,0,0]=4
25  B11R1.271  CC(=O)OC[C@H]1CC[C@H]1CO AC9458 [0,1,0,1,0,0|1,0,1]=4
26  B11R2.20  C1CCN2CCNC[C@@H]2C1 59833 [0,0,0,2,0,0|2,0,0]=4
27  B11R2.20  C1CN2CCOC[C@@H]2CN1 P13390 [0,0,0,2,0,0|2,0,0]=4
28  B11R2.20  C1CN[C@H]2CCCN[C@H]2C1 P12560 [0,0,0,2,0,0|2,0,0]=4
29  B11R2.20  C1COC2CCNCC2C1 54142 [0,0,0,2,0,0|1,0,0]=3
30  B11R2.20  C1COC2CCNCC2C1 AC2525 [0,0,0,2,0,0|1,0,0]=3
31  B11R2.20  C1COC2CNCCC2C1 W14314 [0,0,0,2,0,0|1,0,0]=3
32  B11R2.106  CN1CCCC2NCCC21 F30883 [0,0,0,2,0,0|2,0,0]=4
33  B11R2.565  OC1C2CNCC1COC2 D81393 [0,0,0,2,0,0|2,0,0]=4
34  B11R2.36  NC1CCC2CCCN2C1 D84809 [0,0,0,2,0,0|2,0,0]=4
35  B11R2.232  OCC1C2CCC1CNC2 P12590 [0,0,0,2,0,0|1,0,0]=3
36  B11R2.1261  C1=CC[C@@]2(CC1)CCCO2 W11829 [0,0,0,2,0,0|0,0,2]=4
37  B11R2.1261  C1CCC2(C1)CCCNC2 W13953 [0,0,0,2,0,0|2,0,0]=4
38  B11R2.1261  C1CNC[C@@]2(C1)CCCO2 C11468 [0,0,0,2,0,0|1,0,0]=3
39  B11R2.1261  C1CO[C@]2(CCOC2)CN1 W13942 [0,0,0,2,0,0|2,0,0]=4
40  B11R2.2  C1CN[C@H]([C@@H]2CCCN2)C1 D75869 [0,0,0,2,0,0|2,0,0]=4
41  B11R2.2  C1CN[C@H]([C@@H]2CCCN2)C1 D75871 [0,0,0,2,0,0|2,0,0]=4