0 B9R0.5 CCCCCC(C)CCBr MC112329 [1,0,0,0,0,0|2,0,1]=4 1 B9R0.5 CCCCCC(C)CCO MC112328 [1,0,0,0,0,0|2,0,1]=4 2 B9R0.5 CCOC(=O)CCCCBr CS13726 [1,0,0,0,0,0|1,0,0]=2 3 B9R0.5 CCOC(=O)CCCCN CS14354 [1,0,0,0,0,0|1,0,0]=2 4 B9R0.5 CCOC(=O)CNCCN MC436180 [1,0,0,0,0,0|2,0,0]=3 5 B9R0.5 CCO\C=C\C(=O)OCC MC20656 [1,0,0,0,0,0|1,0,2]=4 6 B9R0.18 CCCCC(N)CCCC MC428161 [1,0,0,0,0,0|2,0,1]=4 7 B9R0.18 O=C(CCCCl)CCCCl CS14305 [1,0,0,0,0,0|3,0,0]=4 8 B9R0.45 CCCCCCCCNC CS15827 [1,0,0,0,0,0|2,0,1]=4 9 B11R0.11 C=CCOC(=O)C(N)CCSC MC439008 [0,1,0,0,0,0|1,0,2]=4 10 B11R0.140 CCCCNC(=O)OCC#CI CS20494 [0,1,0,0,0,0|1,0,2]=4 11 B11R0.140 CCCCOC(=O)OCCCC MC428324 [0,1,0,0,0,0|1,0,0]=2 12 B11R0.321 CCCCS(=O)(=O)CCCCN MC112040 [0,1,0,0,0,0|3,0,0]=4 13 B8R0.1 C#CCCC(=O)OCC MC424003 [2,0,0,0,0,0|0,0,2]=4 14 B8R0.1 CCOC(=O)CCCO MC111642 [2,0,0,0,0,0|1,0,0]=3 15 B8R0.4 CCCCCOCCO MC437002 [2,0,0,0,0,0|1,0,0]=3 16 B8R0.4 CCCCNCCCC CS11229 [2,0,0,0,0,0|1,0,1]=4 17 B8R0.6 CCCCNC(=O)CCl CS11766 [2,0,0,0,0,0|2,0,0]=4 18 B8R0.6 CCCSCC(=O)OC MC434048 [2,0,0,0,0,0|1,0,0]=3 19 B10R0.1 CCOC(=O)CNCCC#N MC106977 [1,1,0,0,0,0|1,0,1]=4 20 B10R0.2 CCOC(=N)CC(=O)OCC CS19628 [1,1,0,0,0,0|1,0,1]=4 21 B10R0.2 CCOC(=O)CC(=O)COC MC418491 [1,1,0,0,0,0|1,0,1]=4 22 B10R0.2 CCOC(=O)CC(=O)OCC MC445194 [1,1,0,0,0,0|1,0,1]=4 23 B10R0.2 CCOC(=O)CC(O)CC#N CS19605 [1,1,0,0,0,0|1,0,1]=4 24 B10R0.2 CCOC(=O)CC(O)CC#N MC20928 [1,1,0,0,0,0|1,0,1]=4 25 B10R0.19 CCCCC(=O)C(=O)OCC CS11379 [1,1,0,0,0,0|0,0,1]=3 26 B10R0.19 CCOC(=O)C(N)CCSC MC437953 [1,1,0,0,0,0|1,0,0]=3 27 B10R0.19 CCOC(=O)C(N)CCSC MC437954 [1,1,0,0,0,0|1,0,0]=3 28 B10R0.19 CCOC(=O)C(N)CCSC MC439231 [1,1,0,0,0,0|1,0,0]=3 29 B10R0.156 CCCS(=O)(=O)CCCCN MC116556 [1,1,0,0,0,0|2,0,0]=4 30 B10R0.16 CCCCN(C=O)CCCC MC33010 [1,1,0,0,0,0|2,0,0]=4 31 B10R0.4 CCCCCCCCC(C)C CS21688 [1,1,0,0,0,0|1,0,1]=4 32 B12R0.585 CCCCS(=O)(=O)CCCCCN MC112042 [0,2,0,0,0,0|2,0,0]=4 33 B12R0.634 CCCCCS(=O)(=O)CCCCN MC112039 [0,2,0,0,0,0|2,0,0]=4 34 B10R1.10 CCCC1CCCC(=O)C1 MC106166 [1,0,0,1,0,0|0,0,0]=2 35 B10R1.10 CCCC1CCCC(O)C1 MC106169 [1,0,0,1,0,0|0,0,2]=4 36 B10R1.10 COCC1CCCC(=O)C1 MC106177 [1,0,0,1,0,0|1,0,0]=3 37 B10R1.11 CCNC(=O)C1CCCN1 MC438120 [1,0,0,1,0,0|2,0,0]=4 38 B10R1.11 CCNC(=O)C1CCCN1 MC438121 [1,0,0,1,0,0|2,0,0]=4 39 B10R1.11 CCOC(=O)C1CCNC1 CS13485 [1,0,0,1,0,0|1,0,0]=3 40 B10R1.11 CCOC(=O)C1CCOC1 MC106751 [1,0,0,1,0,0|1,0,0]=3 41 B10R1.29 N#CCCC1CCCC1=O MC106173 [1,0,0,1,0,0|1,0,1]=4 42 B10R1.79 O=C1CCCC(=O)CCC1 MC102212 [1,0,0,1,0,0|1,0,1]=4 43 B10R1.135 CCOC(=O)C1CC1CBr MC116546 [1,0,0,1,0,0|1,0,0]=3 44 B10R1.135 CCOC(=O)C1CC1CN MC113380 [1,0,0,1,0,0|1,0,0]=3 45 B10R1.135 CCOC(=O)C1CC1CO MC113389 [1,0,0,1,0,0|1,0,0]=3 46 B10R1.137 CCOC(=O)CC1COC1 MC425339 [1,0,0,1,0,0|1,0,0]=3 47 B10R1.4 CCCC1=CCCCC1=O MC106174 [1,0,0,1,0,0|1,0,1]=4 48 B12R2.41 C1CCC2=NCCCN2CC1 MC41770 [0,0,0,2,0,0|2,0,0]=4 49 B12R2.229 O=C1CCNCC2CCCN12 MC104229 [0,0,0,2,0,0|2,0,0]=4 50 B12R2.455 O=C1CNCC2CCCN1C2 MC113159 [0,0,0,2,0,0|2,0,0]=4 51 B12R2.24 O=C1CCN2CCCCC2C1 MC107478 [0,0,0,2,0,0|2,0,0]=4 52 B12R2.24 O=C1CN2CCCCC2CN1 MC107480 [0,0,0,2,0,0|2,0,0]=4 53 B12R2.24 O=C1CNC2CCCCC2N1 MC442277 [0,0,0,2,0,0|2,0,0]=4 54 B12R2.24 O=C1CNC2CCCCC2N1 MC442278 [0,0,0,2,0,0|2,0,0]=4 55 B12R2.5121 CC1CCCC2(CCCO2)O1 MC101717 [0,0,0,2,0,0|0,0,2]=4