0 B9R0.45 C#CCCCCCCCO MC424005 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.45 C=COOOCCCCC MC438071 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.45 CCCCCCCCNC CS15827 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.45 ClCCCCCCCCCl CS20556 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.45 OCCCCCCCCBr CS14609 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.45 OCCCCCCCCO CS20567 [0,0,0,0,0,0|1,0,2]=3 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|1,0,1]=3 8 B8R0.4 CCCCNCCCC CS11229 [1,0,0,0,0,0|1,0,1]=3 9 B8R0.4 OCCCCCCCBr CS13415 [1,0,0,0,0,0|1,0,1]=3 10 B8R0.4 OCCCNCCCO CS21826 [1,0,0,0,0,0|2,0,1]=4 11 B10R0.1 CCCCCCC(C)CCBr MC112334 [0,1,0,0,0,0|1,0,1]=3 12 B10R0.1 CCCCCCC(C)CCO MC112333 [0,1,0,0,0,0|0,0,2]=3 13 B10R0.4 CCCCCCCCB(O)O MC31112 [0,1,0,0,0,0|1,0,1]=3 14 B10R0.4 CCCCCCCCC(C)C CS21688 [0,1,0,0,0,0|1,0,1]=3 15 B10R0.4 NCCOCCOCC(=O)O CS12154 [0,1,0,0,0,0|3,0,0]=4 16 B10R0.4 NCCOCCOCC(=O)O MC428319 [0,1,0,0,0,0|3,0,0]=4 17 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O MC436282 [0,1,0,0,0,0|3,0,0]=4 18 B10R0.71 BrCCCCCCCCCBr CS20559 [0,1,0,0,0,0|1,0,1]=3 19 B10R0.71 C=CCCCCCCCCBr CS20576 [0,1,0,0,0,0|1,0,0]=2 20 B10R0.71 C=COOOCCCCCC MC437734 [0,1,0,0,0,0|3,0,0]=4 21 B10R0.71 ClCCCCCCCCCCl CS20560 [0,1,0,0,0,0|1,0,1]=3 22 B10R0.71 ClCCCCOCCCCCl MC21038 [0,1,0,0,0,0|2,0,1]=4 23 B10R0.74 CCCCCCCC(=O)NO CS11097 [0,1,0,0,0,0|1,0,2]=4 24 B10R1.4 CCCC1=CCCCC1=O MC106174 [0,0,0,1,0,0|0,0,2]=3 25 B10R1.4 O=C1COCCN1CCO MC110622 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.4 O=CNC1CCCCC1=O MC106163 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.17 C#CCCN1CCCCC1 MC431215 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.17 CCCCC1CCNCC1 CS14224 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.17 CCNCC1CCCCC1 MC431466 [0,0,0,1,0,0|2,0,1]=4 30 B10R1.17 COCCC1CCCCN1 MC425896 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.17 ICCCC1CCCCC1 MC111977 [0,0,0,1,0,0|1,0,1]=3 32 B10R1.20 CNC1CCCCC1NC CS10587 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.20 CNC1CCCCC1NC CS14748 [0,0,0,1,0,0|3,0,0]=4 34 B10R1.20 CNC1CCCCC1NC CS15024 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.20 CNC1CCCCC1NC CS19383 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.20 OCC1CCCCC1CO MC31260 [0,0,0,1,0,0|1,0,2]=4 37 B10R1.21 N#CCCNC1CCCC1 MC425213 [0,0,0,1,0,0|2,0,1]=4 38 B10R1.29 N#CCCC1CCCC1=O MC106173 [0,0,0,1,0,0|1,0,1]=3 39 B7R0.1 BrCCCCCCBr CS20550 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.1 C=CCCCCCBr CS19607 [2,0,0,0,0,0|1,0,1]=4 41 B7R0.1 COCOCCC=O MC445436 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.1 OCCCCCCBr CS14335 [2,0,0,0,0,0|1,0,1]=4 43 B9R0.2 CCCCCCCC(=O)Cl MC40496 [1,1,0,0,0,0|0,0,0]=2 44 B9R0.2 CCCCCCOC(=O)Cl CS11449 [1,1,0,0,0,0|1,0,0]=3 45 B9R0.2 CCCSCCCC(=O)O MC112372 [1,1,0,0,0,0|1,0,0]=3 46 B9R0.2 NCCCCCCC(=O)O CS10138 [1,1,0,0,0,0|1,0,0]=3 47 B9R0.2 O=C(O)CCCCCCO CS10820 [1,1,0,0,0,0|1,0,0]=3 48 B9R0.5 CCCCCC(C)CCBr MC112329 [1,1,0,0,0,0|1,0,0]=3 49 B9R0.5 CCCCCC(C)CCO MC112328 [1,1,0,0,0,0|0,0,1]=3 50 B9R0.18 CCCCC(N)CCCC MC428161 [1,1,0,0,0,0|0,0,1]=3 51 B11R0.2 CCCCCCC(C)CC(=O)O MC112332 [0,2,0,0,0,0|0,0,0]=2 52 B11R0.161 CCCCCCC(CC)CCO MC112335 [0,2,0,0,0,0|0,0,2]=4 53 B11R0.176 CCOC(=O)CCCCC(N)=O MC428169 [0,2,0,0,0,0|1,0,1]=4 54 B11R0.30 O=C(O)CCCCCCC(=O)O CS11964 [0,2,0,0,0,0|1,0,1]=4 55 B11R0.148 CCCCCCC\C=C\C(=O)O MC424008 [0,2,0,0,0,0|0,0,1]=3 56 B11R0.148 COCCOCCOCC(=O)O MC10459 [0,2,0,0,0,0|2,0,0]=4 57 B11R0.148 O=C(O)CCCCCCCCBr CS21300 [0,2,0,0,0,0|0,0,0]=2 58 B11R0.159 C=CCCCCCC[Si](C)(C)Cl MC112780 [0,2,0,0,0,0|1,1,0]=4 59 B11R0.159 CCCCCCCCS(=O)(=O)Cl MC32081 [0,2,0,0,0,0|1,0,0]=3 60 B11R0.159 CCCCCCCCS(=O)(=O)F MC32082 [0,2,0,0,0,0|1,0,0]=3 61 B11R0.159 CCCCCCCCS(=O)(=O)O MC32083 [0,2,0,0,0,0|1,0,0]=3 62 B11R0.159 CCCCCCCCS(=O)(=O)[O-] MC32084 [0,2,0,0,0,0|1,0,0]=3 63 B11R0.159 CCCCCCCCS(=O)(=O)[O-] MC445028 [0,2,0,0,0,0|1,0,0]=3 64 B11R0.159 CCCCCCCCS(N)(=O)=O MC32085 [0,2,0,0,0,0|1,0,0]=3 65 B11R0.3 C=COOOCCCCCCC MC437723 [0,2,0,0,0,0|2,0,0]=4 66 B11R0.3 CCCCCCCCNCCN MC106937 [0,2,0,0,0,0|1,0,1]=4 67 B11R0.3 CCCCCCCCOCCO MC437001 [0,2,0,0,0,0|0,0,2]=4 68 B11R0.3 CCCCCOCCOCCO MC436946 [0,2,0,0,0,0|0,0,2]=4 69 B11R0.3 O=CCCCCCCCCCBr MC114611 [0,2,0,0,0,0|0,0,0]=2 70 B9R1.5 CN1CCCNCC1=O MC100103 [1,0,0,1,0,0|2,0,0]=4 71 B9R1.5 NC1CCCCNC1=O CS15569 [1,0,0,1,0,0|2,0,0]=4 72 B9R1.5 NC1CCCCNC1=O CS15816 [1,0,0,1,0,0|2,0,0]=4 73 B9R1.5 NC1CCCCNC1=O MC425745 [1,0,0,1,0,0|2,0,0]=4 74 B9R1.8 BrCCN1CCCCC1 CS16757 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.8 Br[Zn]CC1CCCCC1 MC121338 [1,0,0,1,0,0|2,0,0]=4 76 B9R1.8 CCNC1CCCCC1 CS11778 [1,0,0,1,0,0|1,0,1]=4 77 B9R1.8 ClCCN1CCCCC1 CS19629 [1,0,0,1,0,0|2,0,0]=4 78 B9R1.8 NCCC1CCCCC1 CS18358 [1,0,0,1,0,0|1,0,0]=3 79 B9R1.8 NCCC1CCOCC1 MC20509 [1,0,0,1,0,0|2,0,0]=4 80 B9R1.8 NCCN1CCCCC1 CS16099 [1,0,0,1,0,0|2,0,0]=4 81 B9R1.8 O=CCN1CCOCC1 MC104422 [1,0,0,1,0,0|2,0,0]=4 82 B9R1.8 OCCC1CCCCN1 CS13732 [1,0,0,1,0,0|1,0,1]=4 83 B9R1.8 OCCC1CCCCN1 CS17564 [1,0,0,1,0,0|1,0,1]=4 84 B9R1.8 OCCC1CCCCN1 MC445188 [1,0,0,1,0,0|1,0,1]=4 85 B9R1.12 NCCCN1CCCC1 CS20406 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.14 CCN1CCCC1CN CS10140 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.15 CCC1CNCCC1=O CS17950 [1,0,0,1,0,0|1,0,0]=3 88 B9R1.15 CN1CCCCC1CO CS16091 [1,0,0,1,0,0|1,0,1]=4 89 B9R1.15 CN1CCCCC1CO CS16092 [1,0,0,1,0,0|1,0,1]=4 90 B9R1.15 CN1CCCCC1CO CS18858 [1,0,0,1,0,0|1,0,1]=4 91 B9R1.15 COC1CCCNC1=O CS12712 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.15 N#CC1CCCCC1=O MC33325 [1,0,0,1,0,0|1,0,1]=4 93 B9R1.33 CN1CCCC1CCN CS17253 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.33 CN1CCCC1CCN CS17948 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.33 CN1CCCC1CCN MC105423 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.33 COCC1CCCC1=O MC106167 [1,0,0,1,0,0|1,0,0]=3 97 B9R1.33 O=C1CCCN1CCBr MC431361 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.50 O=C1CCCCCCN1 CS21316 [1,0,0,1,0,0|1,0,0]=3 99 B9R1.89 OCC1CCCCNC1 MC105285 [1,0,0,1,0,0|1,0,1]=4 100 B11R1.199 CCOC(=O)C1CCCC1=O CS20511 [0,1,0,1,0,0|1,0,1]=4 101 B11R1.86 NC(=O)CC1CCCCC1=O MC102254 [0,1,0,1,0,0|1,0,1]=4 102 B11R1.91 O=C(O)C#CC1CCCCC1 CS16585 [0,1,0,1,0,0|0,0,2]=4 103 B11R1.182 CCCC1CN(C)CCC1=O MC106154 [0,1,0,1,0,0|1,0,0]=3 104 B11R2.68 O=C1OC2CC1CCC2I MC418473 [0,0,0,2,0,0|2,0,0]=4 105 B11R2.106 O=C1CCNC2CCCC12 MC106189 [0,0,0,2,0,0|1,0,0]=3 106 B11R2.106 O=C1CCNC2CCCC12 MC106190 [0,0,0,2,0,0|1,0,0]=3 107 B11R2.106 O=C1CNCC2CCCN12 MC115989 [0,0,0,2,0,0|2,0,0]=4 108 B11R2.106 O=C1CNCC2CCCN12 MC429079 [0,0,0,2,0,0|2,0,0]=4 109 B11R2.36 O=C1CN2CCCC2CN1 MC107479 [0,0,0,2,0,0|2,0,0]=4 110 B11R2.1 O=C1CCC2CNCCN12 MC103722 [0,0,0,2,0,0|2,0,0]=4 111 B11R2.1 O=C1CCC2CNCCN12 MC103723 [0,0,0,2,0,0|2,0,0]=4 112 B11R2.1 O=C1CCC2CNCCN12 MC106621 [0,0,0,2,0,0|2,0,0]=4 113 B11R2.1 O=C1NCC2CCNCC12 MC101947 [0,0,0,2,0,0|2,0,0]=4 114 B11R2.1 O=C1NCC2CCNCC12 MC104593 [0,0,0,2,0,0|2,0,0]=4 115 B11R2.1 O=C1NCC2CCNCC12 MC115674 [0,0,0,2,0,0|2,0,0]=4 116 B11R2.63 CN1C2CCC(=O)C1CC2 MC104851 [0,0,0,2,0,0|1,0,0]=3 117 B11R2.3 O=C1NCCC12CCNC2 MC103625 [0,0,0,2,0,0|2,0,0]=4 118 B11R2.3 O=C1NCCC12CCNC2 MC443302 [0,0,0,2,0,0|2,0,0]=4 119 B11R2.459 O=C1CCCN1C2CNC2 MC121207 [0,0,0,2,0,0|2,0,0]=4 120 B11R2.459 O=C1CCCN1C2CNC2 MC121230 [0,0,0,2,0,0|2,0,0]=4