0 B10R0.71 BrCCCCCCCCCBr CS20559 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.71 C=CCCCCCCCCBr CS20576 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.71 ClCCCCCCCCCCl CS20560 [0,0,0,0,0,0|2,0,0]=2 3 B10R0.71 ClCCCCOCCCCCl MC21038 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.45 C#CCCCCCCCO MC424005 [1,0,0,0,0,0|0,0,2]=3 5 B9R0.45 CCCCCCCCNC CS15827 [1,0,0,0,0,0|1,0,0]=2 6 B9R0.45 ClCCCCCCCCCl CS20556 [1,0,0,0,0,0|2,0,0]=3 7 B9R0.45 OCCCCCCCCBr CS14609 [1,0,0,0,0,0|1,0,0]=2 8 B9R0.45 OCCCCCCCCO CS20567 [1,0,0,0,0,0|1,0,0]=2 9 B9R0.45 OCCOCCOCCO CS20932 [1,0,0,0,0,0|3,0,0]=4 10 B11R0.3 CCCCCCCCNCCN MC106937 [0,1,0,0,0,0|1,0,0]=2 11 B11R0.3 CCCCCCCCOCCO MC437001 [0,1,0,0,0,0|0,0,0]=1 12 B11R0.3 CCCCCOCCOCCO MC436946 [0,1,0,0,0,0|1,0,0]=2 13 B11R0.3 O=CCCCCCCCCCBr MC114611 [0,1,0,0,0,0|0,0,2]=3 14 B11R0.4 CCCCCCCC(=O)OCC CS14101 [0,1,0,0,0,0|2,0,1]=4 15 B11R0.4 CCOC(=O)CCCCCCN CS14103 [0,1,0,0,0,0|2,0,1]=4 16 B11R0.148 CCCCCCC\C=C\C(=O)O MC424008 [0,1,0,0,0,0|0,0,3]=4 17 B11R0.148 O=C(O)CCCCCCCCBr CS21300 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.4 OCCCCOC1CCCO1 MC106866 [0,0,0,1,0,0|2,0,0]=3 19 B8R0.4 C#CCCCCCCO CS10833 [2,0,0,0,0,0|0,0,2]=4 20 B8R0.4 CCCCCOCCO MC437002 [2,0,0,0,0,0|1,0,0]=3 21 B8R0.4 CCCCNCCCC CS11229 [2,0,0,0,0,0|1,0,0]=3 22 B8R0.4 OCCCCCCCBr CS13415 [2,0,0,0,0,0|1,0,0]=3 23 B8R0.4 OCCCNCCCO CS21826 [2,0,0,0,0,0|2,0,0]=4 24 B10R0.1 CCCCCCC(C)CCBr MC112334 [1,1,0,0,0,0|1,0,0]=3 25 B10R0.1 CCCCCCC(C)CCO MC112333 [1,1,0,0,0,0|0,0,0]=2 26 B10R0.4 CCCCCCCCB(O)O MC31112 [1,1,0,0,0,0|1,0,0]=3 27 B10R0.4 CCCCCCCCC(C)C CS21688 [1,1,0,0,0,0|0,0,0]=2 28 B10R0.74 CCCCCCCC(=O)NO CS11097 [1,1,0,0,0,0|1,0,1]=4 29 B12R0.1 CCCCCCCCS(=O)CCO MC437764 [0,2,0,0,0,0|0,0,0]=2 30 B12R0.1 CCOC(=O)CCCCCCCBr CS14864 [0,2,0,0,0,0|1,0,1]=4 31 B12R0.5 C=COOOCCCCCCCC MC438042 [0,2,0,0,0,0|2,0,0]=4 32 B12R0.5 NCCOCCOCCOCCO CS20595 [0,2,0,0,0,0|2,0,0]=4 33 B12R0.5 OCCCCCCCCCCCBr MC10312 [0,2,0,0,0,0|0,0,0]=2 34 B12R0.5 OCCCCCCCCCCCO CS15877 [0,2,0,0,0,0|0,0,0]=2 35 B12R0.234 C=CCCCCCCCCC(=O)O MC41958 [0,2,0,0,0,0|0,0,2]=4 36 B12R0.434 CCCS(=O)(=O)CCCCCCN MC112044 [0,2,0,0,0,0|2,0,0]=4 37 B12R0.251 CCCCCCCCC(N)C(=O)O MC428037 [0,2,0,0,0,0|0,0,1]=3 38 B12R0.111 CCCCCCC(CN)CCCC MC431517 [0,2,0,0,0,0|1,0,0]=3 39 B12R0.585 CCCCS(=O)(=O)CCCCCN MC112042 [0,2,0,0,0,0|2,0,0]=4 40 B12R0.634 CCCCCS(=O)(=O)CCCCN MC112039 [0,2,0,0,0,0|2,0,0]=4 41 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] MC445022 [0,2,0,0,0,0|1,0,1]=4 42 B10R1.17 CCCCC1CCNCC1 CS14224 [1,0,0,1,0,0|1,0,0]=3 43 B10R1.17 CCCCN1CCOCC1 CS11768 [1,0,0,1,0,0|2,0,0]=4 44 B10R1.17 CCNCC1CCCCC1 MC431466 [1,0,0,1,0,0|1,0,0]=3 45 B10R1.17 COCCC1CCCCN1 MC425896 [1,0,0,1,0,0|2,0,0]=4 46 B10R1.17 ICCCC1CCCCC1 MC111977 [1,0,0,1,0,0|1,0,0]=3 47 B10R1.17 OCCCN1CCOCC1 CS19670 [1,0,0,1,0,0|2,0,0]=4 48 B10R1.20 CNC1CCCCC1NC CS10587 [1,0,0,1,0,0|2,0,0]=4 49 B10R1.20 CNC1CCCCC1NC CS14748 [1,0,0,1,0,0|2,0,0]=4 50 B10R1.20 CNC1CCCCC1NC CS15024 [1,0,0,1,0,0|2,0,0]=4 51 B10R1.20 CNC1CCCCC1NC CS19383 [1,0,0,1,0,0|2,0,0]=4 52 B10R1.20 OCC1CCCCC1CO MC31260 [1,0,0,1,0,0|1,0,0]=3 53 B10R1.21 BrCCCCC1OCCO1 MC425547 [1,0,0,1,0,0|2,0,0]=4 54 B12R1.8 OCCOCCN1CCNCC1 CS10589 [0,1,0,1,0,0|2,0,0]=4 55 B12R1.308 CCOC(=O)C1CCCCC1O CS11393 [0,1,0,1,0,0|1,0,1]=4 56 B12R1.252 CC(C)CCCC1CCCCN1 MC107816 [0,1,0,1,0,0|1,0,0]=3 57 B12R2.4 OCC1CCCC12OCCO2 MC106597 [0,0,0,2,0,0|2,0,0]=4 58 B12R2.98 C1CNC(CN2CCCC2)C1 CS20247 [0,0,0,2,0,0|2,0,0]=4 59 B12R2.24 NC1CCN2CCCCC2C1 MC107476 [0,0,0,2,0,0|2,0,0]=4 60 B12R2.1081 CN1CCCC2NCCCC21 MC105596 [0,0,0,2,0,0|2,0,0]=4 61 B12R2.4370 C1CCC2(CC1)CCNCC2 CS15853 [0,0,0,2,0,0|2,0,0]=4 62 B12R2.4370 C1CCC2(CCNCC2)OC1 CS17557 [0,0,0,2,0,0|1,0,0]=3 63 B12R2.4370 C1COC2(CCOCC2)CN1 MC121369 [0,0,0,2,0,0|2,0,0]=4 64 B12R2.165 NCCC1C2CCC1CNC2 MC104717 [0,0,0,2,0,0|2,0,0]=4 65 B12R2.165 OCCC1C2CCC1CNC2 MC104716 [0,0,0,2,0,0|1,0,0]=3