0 B9R0.45 C#CCCCCCCCO MC424005 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.45 CCCCCCCCNC CS15827 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.45 ClCCCCCCCCCl CS20556 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.45 OCCCCCCCCBr CS14609 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.45 OCCCCCCCCO CS20567 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.45 OCCOCCOCCO CS20932 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.4 C#CCCCCCCO CS10833 [1,0,0,0,0,0|0,0,3]=4 7 B8R0.4 CCCCCOCCO MC437002 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.4 CCCCNCCCC CS11229 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.4 CCC\C=C\C=C\CO CS17006 [1,0,0,0,0,0|0,0,2]=3 10 B8R0.4 OCCCCCCCBr CS13415 [1,0,0,0,0,0|1,0,1]=3 11 B8R0.4 OCCCNCCCO CS21826 [1,0,0,0,0,0|2,0,1]=4 12 B10R0.1 CCCCCCC(C)CCBr MC112334 [0,1,0,0,0,0|1,0,2]=4 13 B10R0.1 CCCCCCC(C)CCO MC112333 [0,1,0,0,0,0|0,0,2]=3 14 B10R0.4 CCCCCCCCB(O)O MC31112 [0,1,0,0,0,0|1,0,2]=4 15 B10R0.4 CCCCCCCCC(C)C CS21688 [0,1,0,0,0,0|1,0,2]=4 16 B10R0.4 CCCCCC\C=C\B(O)O MC425764 [0,1,0,0,0,0|1,0,2]=4 17 B10R0.71 BrCCCCCCCCCBr CS20559 [0,1,0,0,0,0|1,0,2]=4 18 B10R0.71 ClCCCCCCCCCCl CS20560 [0,1,0,0,0,0|1,0,2]=4 19 B10R1.4 CCCC1=CCCCC1=O MC106174 [0,0,0,1,0,0|2,0,1]=4 20 B10R1.17 ICCCC1CCCCC1 MC111977 [0,0,0,1,0,0|1,0,2]=4 21 B10R1.17 OCCCN1CCOCC1 CS19670 [0,0,0,1,0,0|2,0,1]=4 22 B10R1.20 OCC1CCCCC1CO MC31260 [0,0,0,1,0,0|1,0,2]=4 23 B10R1.21 BrCCCCC1OCCO1 MC425547 [0,0,0,1,0,0|2,0,1]=4 24 B7R0.1 BrCCCCCCBr CS20550 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.1 C#CCCCCCO CS10705 [2,0,0,0,0,0|0,0,2]=4 26 B7R0.1 OCCCCCCBr CS14335 [2,0,0,0,0,0|1,0,0]=3 27 B9R0.5 CCCCCC(C)CCBr MC112329 [1,1,0,0,0,0|1,0,1]=4 28 B9R0.5 CCCCCC(C)CCO MC112328 [1,1,0,0,0,0|0,0,1]=3 29 B9R0.5 CCOC(=O)CCCCBr CS13726 [1,1,0,0,0,0|2,0,0]=4 30 B9R0.5 CCOC(=O)CCCCN CS14354 [1,1,0,0,0,0|2,0,0]=4 31 B9R0.18 CCCCC(N)CCCC MC428161 [1,1,0,0,0,0|0,0,2]=4 32 B11R0.161 CCCCCCC(CC)CCO MC112335 [0,2,0,0,0,0|0,0,2]=4 33 B11R0.3 CCCCCCCCOCCO MC437001 [0,2,0,0,0,0|0,0,2]=4 34 B11R0.3 CCCCCOCCOCCO MC436946 [0,2,0,0,0,0|0,0,2]=4 35 B9R1.8 BrCCN1CCCCC1 CS16757 [1,0,0,1,0,0|2,0,0]=4 36 B9R1.8 CCNC1CCCCC1 CS11778 [1,0,0,1,0,0|1,0,1]=4 37 B9R1.8 COCC1CNCCO1 MC105771 [1,0,0,1,0,0|2,0,0]=4 38 B9R1.8 COCC1CNCCO1 MC444037 [1,0,0,1,0,0|2,0,0]=4 39 B9R1.8 COCC1CNCCO1 MC444190 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.8 ClCCN1CCCCC1 CS19629 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.8 NCCC1CCCCC1 CS18358 [1,0,0,1,0,0|1,0,1]=4 42 B9R1.8 NCCN1CCCCC1 CS16099 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.8 OCCC1CCCCN1 CS13732 [1,0,0,1,0,0|1,0,1]=4 44 B9R1.8 OCCC1CCCCN1 CS17564 [1,0,0,1,0,0|1,0,1]=4 45 B9R1.8 OCCC1CCCCN1 MC445188 [1,0,0,1,0,0|1,0,1]=4 46 B9R1.8 OCCC1CNCCO1 MC107498 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.8 OCCN1CCNCC1 CS13442 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.8 OCCN1CCOCC1 CS11708 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.8 OCCN1CCSCC1 CS18622 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.12 CCCCC1C=CC=C1 MC114482 [1,0,0,1,0,0|0,0,2]=4 51 B9R1.15 CN1CCCCC1CO CS16091 [1,0,0,1,0,0|1,0,1]=4 52 B9R1.15 CN1CCCCC1CO CS16092 [1,0,0,1,0,0|1,0,1]=4 53 B9R1.15 CN1CCCCC1CO CS18858 [1,0,0,1,0,0|1,0,1]=4 54 B9R1.15 NCC1CCNCC1O MC105550 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.15 NCC1CCNCC1O MC105642 [1,0,0,1,0,0|2,0,0]=4 56 B9R1.89 OCC1CCCCNC1 MC105285 [1,0,0,1,0,0|1,0,1]=4