0 B8R0.4 C#CCCCCCCO HY-W008554 [0,0,0,0,0,0|0,0,2]=2 1 B8R0.4 C=CCCCCCCO HY-W127366 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.4 CCCCCCCC=O HY-N8015 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.4 CCCCCCCCBr HY-W032015 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.4 CCCCCCCCN HY-W032014 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.4 CCCCCCCCO HY-W032013 [0,0,0,0,0,0|0,0,0]=0 6 B8R0.4 CCCCSCCCC HY-W250123 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.4 CC\C=C/CCCCO HY-W101301 [0,0,0,0,0,0|0,0,2]=2 8 B8R0.4 COCCOCCC=O HY-W1049075C [0,0,0,0,0,0|2,0,2]=4 9 B8R0.4 NCCCCCCCN HY-W008821 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.4 OCCCCCCCBr HY-W008425 [0,0,0,0,0,0|1,0,0]=1 11 B8R0.4 [N-]=[N+]=NCCOCCO HY-140797 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.1 C#CCCCCCBr HY-W459522 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.1 CCCCCCCO HY-W099504 [1,0,0,0,0,0|0,0,0]=1 14 B7R0.1 CCCSSCCC HY-W196803 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.1 COCCOCCN HY-140675 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.1 COCCOCCN HY-140676 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.1 COCCOCCN HY-140677 [1,0,0,0,0,0|3,0,0]=4 18 B7R0.1 COCCOCCN HY-140678 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.1 COCCOCCN HY-140679 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.1 COCCOCCN HY-155881 [1,0,0,0,0,0|3,0,0]=4 21 B7R0.1 COCCOCCN HY-155882 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.1 COCCOCCN HY-W008429 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.1 COCCOCCN HY-W598230A [1,0,0,0,0,0|3,0,0]=4 24 B7R0.1 COCCOCCO HY-140696 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.1 COCCOCCO HY-140696B [1,0,0,0,0,0|2,0,0]=3 26 B7R0.1 COCCOCCO HY-140696D [1,0,0,0,0,0|2,0,0]=3 27 B7R0.1 COCCOCCO HY-140696E [1,0,0,0,0,0|2,0,0]=3 28 B7R0.1 COCCOCCO HY-W012862 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.1 COCCOCCS HY-140706 [1,0,0,0,0,0|2,1,0]=4 30 B7R0.1 COCCOCCS HY-140708 [1,0,0,0,0,0|2,1,0]=4 31 B7R0.1 COCCOCCS HY-W591476 [1,0,0,0,0,0|2,1,0]=4 32 B7R0.1 COCCOCCS HY-W591476B [1,0,0,0,0,0|2,1,0]=4 33 B7R0.1 COCCOCCS HY-W591476C [1,0,0,0,0,0|2,1,0]=4 34 B7R0.1 ClCCCCCCBr HY-W009787 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.1 NCCCCCCO HY-W007957 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.1 NCCCNCCS HY-103640 [1,0,0,0,0,0|2,1,0]=4 37 B7R0.1 NCCCNCCS HY-137864 [1,0,0,0,0,0|2,1,0]=4 38 B7R0.1 NOCCOCCO HY-126951 [1,0,0,0,0,0|3,0,0]=4 39 B7R0.1 OCCCCCCBr HY-W016455 [1,0,0,0,0,0|1,0,0]=2 40 B7R0.1 OCCCCCCCl HY-41681 [1,0,0,0,0,0|1,0,0]=2 41 B7R0.1 OCCCCCCO HY-W010505 [1,0,0,0,0,0|1,0,0]=2 42 B7R0.1 OCCSSCCO HY-W076898A [1,0,0,0,0,0|3,0,0]=4 43 B9R0.2 C#CCCCCCC(=O)O HY-69220 [0,1,0,0,0,0|0,0,3]=4 44 B9R0.2 CC(=O)NCCCCCN HY-101403 [0,1,0,0,0,0|2,0,1]=4 45 B9R0.2 CCCCCCCC(=O)O HY-41417 [0,1,0,0,0,0|0,0,1]=2 46 B9R0.2 CCCCCCCC(=O)O HY-41417R [0,1,0,0,0,0|0,0,1]=2 47 B9R0.2 CCCCC\C=C\C(=O)O HY-W046906 [0,1,0,0,0,0|0,0,3]=4 48 B9R0.2 COCCOCCC(=O)O HY-130231 [0,1,0,0,0,0|2,0,1]=4 49 B9R0.2 COCCOCCC(=O)O HY-133324 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.2 O=C(O)CCCCCCBr HY-W007714 [0,1,0,0,0,0|1,0,1]=3 51 B9R0.45 BrCCOCCOCCBr HY-130589 [0,1,0,0,0,0|3,0,0]=4 52 B9R0.45 C(CC)=CCCCCCO HY-W017558 [0,1,0,0,0,0|0,0,1]=2 53 B9R0.45 C=CCCCCCCCO HY-W127362 [0,1,0,0,0,0|0,0,1]=2 54 B9R0.45 C=CCOCCOCCO HY-W047691 [0,1,0,0,0,0|1,0,2]=4 55 B9R0.45 CCCCCCCCC=O HY-N8016 [0,1,0,0,0,0|0,0,1]=2 56 B9R0.45 CCCCCCCCCO HY-W008816 [0,1,0,0,0,0|0,0,0]=1 57 B9R0.45 CCCCCC\C=C\C=O HY-W089800 [0,1,0,0,0,0|0,0,3]=4 58 B9R0.45 CCCCCC\C=C\C=O HY-W089800R [0,1,0,0,0,0|0,0,3]=4 59 B9R0.45 CCCCC\C=C/CCO HY-W127320 [0,1,0,0,0,0|0,0,1]=2 60 B9R0.45 ICCOCCOCCI HY-133143 [0,1,0,0,0,0|3,0,0]=4 61 B9R0.45 NCCCCNCCCN HY-B1776 [0,1,0,0,0,0|2,0,0]=3 62 B9R0.45 NCCCCNCCCN HY-B1776A [0,1,0,0,0,0|2,0,0]=3 63 B9R0.45 NCCCCNCCCN HY-B1776R [0,1,0,0,0,0|2,0,0]=3 64 B9R0.45 NCCOCCOCCN HY-128833 [0,1,0,0,0,0|3,0,0]=4 65 B9R0.45 NCCOCCOCCN HY-140646 [0,1,0,0,0,0|3,0,0]=4 66 B9R0.45 NCCOCCOCCN HY-140649 [0,1,0,0,0,0|3,0,0]=4 67 B9R0.45 NCCOCCOCCS HY-132120 [0,1,0,0,0,0|2,1,0]=4 68 B9R0.45 OCCCCCCCCO HY-W017508 [0,1,0,0,0,0|0,0,0]=1 69 B9R0.45 OCCOCCOCCBr HY-135142 [0,1,0,0,0,0|2,0,0]=3 70 B9R0.45 OCCOCCOCCO HY-W017440 [0,1,0,0,0,0|2,0,0]=3 71 B9R0.45 OCCOCCOCCO HY-W017440R [0,1,0,0,0,0|2,0,0]=3 72 B9R0.45 [N-]=[N+]=NCCCCCCO HY-138521 [0,1,0,0,0,0|2,0,0]=3 73 B9R0.46 CCCCCCC(=O)OC HY-141610 [0,1,0,0,0,0|2,0,1]=4 74 B9R0.46 CCCCCCC(=O)O[Na] HY-42935A [0,1,0,0,0,0|2,0,1]=4 75 B9R0.46 COCCOCC(O)CO HY-400147 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.8 OCCN1CCCCC1 HY-W012728 [0,0,0,1,0,0|1,0,0]=2 77 B9R1.8 OCCN1CCNCC1 HY-41939 [0,0,0,1,0,0|2,0,0]=3 78 B9R1.83 COCCOCC1CO1 HY-400145 [0,0,0,1,0,0|2,0,0]=3 79 B6R0.6 C(CO)=CCCC HY-W015936 [2,0,0,0,0,0|0,0,2]=4 80 B6R0.6 C=CCCCCO HY-W012995 [2,0,0,0,0,0|0,0,2]=4 81 B6R0.6 CCCCCCO HY-W032022 [2,0,0,0,0,0|0,0,0]=2 82 B6R0.6 CC\C=C/CCO HY-W010607 [2,0,0,0,0,0|0,0,2]=4 83 B6R0.6 NCCCCCN HY-W016750 [2,0,0,0,0,0|2,0,0]=4 84 B6R0.6 NCCCCCO HY-W012971 [2,0,0,0,0,0|1,0,0]=3 85 B6R0.6 OCCOCCBr HY-141213 [2,0,0,0,0,0|2,0,0]=4 86 B6R0.6 OCCOCCO HY-B1952 [2,0,0,0,0,0|2,0,0]=4 87 B8R0.6 C=CC(O)CCCCC HY-W010410 [1,1,0,0,0,0|0,0,2]=4 88 B8R0.6 CCCCCC(O)CC HY-W099689 [1,1,0,0,0,0|0,0,0]=2 89 B8R0.7 CCCCCCC(C)=O HY-W010409 [1,1,0,0,0,0|0,0,1]=3 90 B10R0.3 CC(C)=CCCC(C)CCO HY-W010201 [0,2,0,0,0,0|0,0,2]=4 91 B10R0.3 CC(C)=CCCC(C)CCO HY-W010201R [0,2,0,0,0,0|0,0,2]=4 92 B10R0.3 CC(C)=CCC[C@@H](C)CCO HY-124257 [0,2,0,0,0,0|0,0,2]=4 93 B10R0.3 CC(C)=CCC[C@H](C)CCO HY-W015515 [0,2,0,0,0,0|0,0,2]=4 94 B10R0.3 CC(C)CCCC(C)CCO HY-W010176 [0,2,0,0,0,0|0,0,0]=2 95 B10R0.4 CCCCCCCCC(=O)O HY-N7057 [0,2,0,0,0,0|0,0,0]=2 96 B10R0.4 CCCCCCCOC(C)=O HY-W099503 [0,2,0,0,0,0|0,0,2]=4 97 B10R0.4 NCCCCCCCC(=O)O HY-W018678 [0,2,0,0,0,0|0,0,1]=3 98 B10R0.6 CCCCCC(O)CC(=O)O HY-113058 [0,2,0,0,0,0|0,0,1]=3 99 B10R0.22 [2H]C([2H])(O)CCCCCCC HY-W032013S1 [0,2,0,0,0,0|0,0,0]=2 100 B10R0.74 CCCCCCCC(=O)NO HY-W001857 [0,2,0,0,0,0|0,0,1]=3 101 B10R0.74 CCCCCCCC(=O)OC HY-W087943 [0,2,0,0,0,0|0,0,1]=3 102 B10R0.74 CCCCCCCC(=O)O[Na] HY-W015339 [0,2,0,0,0,0|0,0,1]=3 103 B10R0.75 CCCCCCC(N)C(=O)O HY-W015461 [0,2,0,0,0,0|0,0,1]=3 104 B10R0.75 CCCCCCC(O)C(=O)O HY-W015444 [0,2,0,0,0,0|0,0,1]=3 105 B10R0.78 CCCCC(C)CCC(=O)O HY-W010178 [0,2,0,0,0,0|0,0,1]=3 106 B10R0.1 CCCCCCC(=O)OCC HY-W010177 [0,2,0,0,0,0|1,0,1]=4 107 B10R0.1 CCCCCCC(O)CCC HY-W275553 [0,2,0,0,0,0|1,0,0]=3 108 B10R0.1 CCOC(=O)CCCCCBr HY-W041970 [0,2,0,0,0,0|1,0,1]=4 109 B10R0.91 CCCCCC(=O)OCCC HY-W013616 [0,2,0,0,0,0|1,0,1]=4 110 B10R0.16 CCCCN(CCCC)N=O HY-131113 [0,2,0,0,0,0|2,0,0]=4 111 B10R0.71 C(C=O)=CCCCCCCC HY-W015551 [0,2,0,0,0,0|0,0,2]=4 112 B10R0.71 C=CCCCCCCCCO HY-W105359 [0,2,0,0,0,0|0,0,0]=2 113 B10R0.71 CCCCCCCCCC=O HY-W012570 [0,2,0,0,0,0|0,0,1]=3 114 B10R0.71 CCCCCCCCCCC HY-N8593 [0,2,0,0,0,0|1,0,0]=3 115 B10R0.71 CCCCCCCCCCO HY-Y1004 [0,2,0,0,0,0|0,0,0]=2 116 B10R0.71 CCOCCOCCOCC HY-Y1810 [0,2,0,0,0,0|2,0,0]=4 117 B10R0.71 COCCOCCOCCBr HY-W094307 [0,2,0,0,0,0|2,0,0]=4 118 B10R0.71 COCCOCCOCCN HY-W018174 [0,2,0,0,0,0|2,0,0]=4 119 B10R0.71 COCCOCCOCCO HY-135796 [0,2,0,0,0,0|1,0,0]=3 120 B10R0.71 COCCOCCOCCS HY-133273 [0,2,0,0,0,0|1,1,0]=4 121 B10R0.71 CSCCCCCCN=C=S HY-W714137 [0,2,0,0,0,0|0,1,1]=4 122 B10R0.71 OCCCCCCCCCBr HY-32083 [0,2,0,0,0,0|0,0,0]=2 123 B10R0.71 OCCOCCCOCCO HY-W096121 [0,2,0,0,0,0|1,0,0]=3 124 B8R1.2 OCC1CCCCO1 HY-115051 [1,0,0,1,0,0|1,0,0]=3 125 B8R1.2 OCC1CCOCC1 HY-79631 [1,0,0,1,0,0|1,0,0]=3 126 B8R1.5 CC1CCCCC1=O HY-W010549 [1,0,0,1,0,0|0,0,2]=4 127 B8R1.5 N[C@@H]1CCCC[C@H]1N HY-41957 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.5 O[C@@H]1CCCC[C@H]1O HY-W010514 [1,0,0,1,0,0|1,0,0]=3 129 B8R1.8 OCCN1CCCC1 HY-W010519 [1,0,0,1,0,0|1,0,0]=3 130 B8R1.11 CN1CCC[C@H]1CO HY-W019679 [1,0,0,1,0,0|1,0,0]=3 131 B8R1.22 O=C1CCCCCO1 HY-W015891 [1,0,0,1,0,0|1,0,1]=4 132 B8R1.22 O=C1CCCCCO1 HY-W392100B [1,0,0,1,0,0|1,0,1]=4 133 B10R1.18 O=C(O)CC1CCCCC1 HY-W018653 [0,1,0,1,0,0|0,0,1]=3 134 B10R1.21 OCCOCC1CCCO1 HY-W145493 [0,1,0,1,0,0|1,0,0]=3 135 B10R1.17 BrCCOC1CCCCC1 HY-W092895 [0,1,0,1,0,0|1,0,0]=3 136 B10R1.17 OCCOC1CCCCO1 HY-W038771 [0,1,0,1,0,0|1,0,0]=3 137 B10R1.216 CCCC[N+]1(C)CCCC1 HY-W016638 [0,1,0,1,0,0|2,0,0]=4 138 B10R1.15 CCC(=O)C1CCCCC1 HY-W026029 [0,1,0,1,0,0|1,0,1]=4 139 B10R2.7 C1CCC2CNCC2C1 HY-W017933 [0,0,0,2,0,0|1,0,0]=3