0 B7R0.1 C#CCCCCCBr HY-W459522 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 C#CCOCCON HY-140056 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.1 CCCCCCCO HY-W099504 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.1 CCCC\C=C\C=O HY-W127398 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.1 CCCSSCCC HY-W196803 [0,0,0,0,0,0|2,1,0]=3 5 B7R0.1 COCCOCCN HY-140675 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.1 COCCOCCN HY-140676 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.1 COCCOCCN HY-140677 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.1 COCCOCCN HY-140678 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.1 COCCOCCN HY-140679 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.1 COCCOCCN HY-155881 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.1 COCCOCCN HY-155882 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.1 COCCOCCN HY-W008429 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.1 COCCOCCN HY-W598230A [0,0,0,0,0,0|2,0,0]=2 14 B7R0.1 COCCOCCO HY-140696 [0,0,0,0,0,0|1,0,0]=1 15 B7R0.1 COCCOCCO HY-140696B [0,0,0,0,0,0|1,0,0]=1 16 B7R0.1 COCCOCCO HY-140696D [0,0,0,0,0,0|1,0,0]=1 17 B7R0.1 COCCOCCO HY-140696E [0,0,0,0,0,0|1,0,0]=1 18 B7R0.1 COCCOCCO HY-W012862 [0,0,0,0,0,0|1,0,0]=1 19 B7R0.1 COCCOCCS HY-140706 [0,0,0,0,0,0|1,1,0]=2 20 B7R0.1 COCCOCCS HY-140708 [0,0,0,0,0,0|1,1,0]=2 21 B7R0.1 COCCOCCS HY-W591476 [0,0,0,0,0,0|1,1,0]=2 22 B7R0.1 COCCOCCS HY-W591476B [0,0,0,0,0,0|1,1,0]=2 23 B7R0.1 COCCOCCS HY-W591476C [0,0,0,0,0,0|1,1,0]=2 24 B7R0.1 ClCCCCCCBr HY-W009787 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.1 NCCCCCCO HY-W007957 [0,0,0,0,0,0|2,0,0]=2 26 B7R0.1 NCCCNCCS HY-103640 [0,0,0,0,0,0|2,1,0]=3 27 B7R0.1 NCCCNCCS HY-137864 [0,0,0,0,0,0|2,1,0]=3 28 B7R0.1 NCCOCCON HY-W451406A [0,0,0,0,0,0|3,0,0]=3 29 B7R0.1 NCCOCCON HY-W451406C [0,0,0,0,0,0|3,0,0]=3 30 B7R0.1 NCCSSCCN HY-124476 [0,0,0,0,0,0|3,1,0]=4 31 B7R0.1 NCCSSCCN HY-W020050 [0,0,0,0,0,0|3,1,0]=4 32 B7R0.1 NOCCOCCO HY-126951 [0,0,0,0,0,0|2,0,0]=2 33 B7R0.1 OCCCCCCBr HY-W016455 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.1 OCCCCCCCl HY-41681 [0,0,0,0,0,0|2,0,0]=2 35 B7R0.1 OCCCCCCO HY-W010505 [0,0,0,0,0,0|2,0,0]=2 36 B7R0.1 OCCSSCCO HY-W076898A [0,0,0,0,0,0|2,1,0]=3 37 B6R0.6 BrCCOCCBr HY-W013458 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.6 C#CCOCCN HY-116069 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.6 C#CCOCCO HY-43614 [1,0,0,0,0,0|0,0,2]=3 40 B6R0.6 C(CO)=CCCC HY-W015936 [1,0,0,0,0,0|0,0,2]=3 41 B6R0.6 C=CCCCCO HY-W012995 [1,0,0,0,0,0|0,0,2]=3 42 B6R0.6 CCCCCCO HY-W032022 [1,0,0,0,0,0|0,0,0]=1 43 B6R0.6 CC\C=C/CCO HY-W010607 [1,0,0,0,0,0|0,0,2]=3 44 B6R0.6 ClCCNCCCl HY-Y0881 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.6 NCCCCCN HY-W016750 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.6 NCCCCCO HY-W012971 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.6 NCCOCCN HY-140208 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.6 NCCOCCN HY-140648 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.6 OCCOCCBr HY-141213 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.6 OCCOCCO HY-B1952 [1,0,0,0,0,0|1,0,0]=2 51 B6R0.6 SCCOCCS HY-145485 [1,0,0,0,0,0|1,1,0]=3 52 B8R0.4 C#CCCCCCCO HY-W008554 [0,1,0,0,0,0|1,0,1]=3 53 B8R0.4 C=CCCCCCCO HY-W127366 [0,1,0,0,0,0|1,0,1]=3 54 B8R0.4 CCCCCCCC=O HY-N8015 [0,1,0,0,0,0|1,0,1]=3 55 B8R0.4 CCCCCCCCBr HY-W032015 [0,1,0,0,0,0|2,0,0]=3 56 B8R0.4 CCCCCCCCN HY-W032014 [0,1,0,0,0,0|2,0,0]=3 57 B8R0.4 CCCCCCCCO HY-W032013 [0,1,0,0,0,0|1,0,0]=2 58 B8R0.4 CCCCSCCCC HY-W250123 [0,1,0,0,0,0|1,1,0]=3 59 B8R0.4 CC\C=C/CCCCO HY-W101301 [0,1,0,0,0,0|1,0,1]=3 60 B8R0.4 COCCOCCC=O HY-W1049075C [0,1,0,0,0,0|1,0,1]=3 61 B8R0.4 NCCCCCCCN HY-W008821 [0,1,0,0,0,0|2,0,0]=3 62 B8R0.4 OCCCCCCCBr HY-W008425 [0,1,0,0,0,0|1,0,0]=2 63 B8R0.4 [N-]=[N+]=NCCOCCBr HY-140819 [0,1,0,0,0,0|3,0,0]=4 64 B8R0.4 [N-]=[N+]=NCCOCCN HY-140661 [0,1,0,0,0,0|3,0,0]=4 65 B8R0.4 [N-]=[N+]=NCCOCCO HY-140797 [0,1,0,0,0,0|2,0,0]=3 66 B8R0.6 C=CC(O)CCCCC HY-W010410 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.6 CCCCCC(O)CC HY-W099689 [0,1,0,0,0,0|2,0,0]=3 68 B8R0.7 CCCCCCC(C)=O HY-W010409 [0,1,0,0,0,0|1,0,2]=4 69 B8R0.7 COCCOCC(=O)O HY-W1048558A [0,1,0,0,0,0|1,0,1]=3 70 B8R0.7 NCCOCCC(=O)O HY-140002 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.7 O=C(O)CCOCCO HY-116655 [0,1,0,0,0,0|1,0,1]=3 72 B8R1.2 OCC1CCC=CO1 HY-34692 [0,0,0,1,0,0|0,0,2]=3 73 B8R1.2 OCC1CCCCO1 HY-115051 [0,0,0,1,0,0|0,0,0]=1 74 B8R1.2 OCC1CCOCC1 HY-79631 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.5 CC1CCCCC1=O HY-W010549 [0,0,0,1,0,0|1,0,2]=4 76 B8R1.5 N[C@@H]1CCCC[C@H]1N HY-41957 [0,0,0,1,0,0|3,0,0]=4 77 B8R1.5 O[C@@H]1CCCC[C@H]1O HY-W010514 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.8 OCCN1CCCC1 HY-W010519 [0,0,0,1,0,0|1,0,0]=2 79 B8R1.11 CN1CCC[C@H]1CO HY-W019679 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,0,0,1,0,0|2,0,1]=4 82 B5R0.2 C#CCCCO HY-W010642 [2,0,0,0,0,0|0,0,2]=4 83 B5R0.2 CCCSSC HY-N7436 [2,0,0,0,0,0|1,1,0]=4 84 B5R0.2 CCSCCCl HY-W199190 [2,0,0,0,0,0|1,1,0]=4 85 B5R0.2 CC\C=C/CO HY-W030347 [2,0,0,0,0,0|0,0,2]=4 86 B5R0.2 NCCCCO HY-W002041 [2,0,0,0,0,0|1,0,0]=3 87 B7R0.4 CCCCCC(C)N HY-B0952 [1,1,0,0,0,0|1,0,0]=3 88 B7R0.4 CCCCCC(C)O HY-W015879 [1,1,0,0,0,0|0,0,0]=2 89 B7R0.4 NCCCCC(=O)O HY-W015878 [1,1,0,0,0,0|1,0,1]=4 90 B7R0.4 NCCOCC(=O)O HY-140643 [1,1,0,0,0,0|1,0,1]=4 91 B7R0.4 NCCOCC(=O)O HY-140644 [1,1,0,0,0,0|1,0,1]=4 92 B7R0.4 O=C(O)CCCCBr HY-W016456 [1,1,0,0,0,0|1,0,1]=4 93 B7R0.4 O=C(O)COCCBr HY-130163 [1,1,0,0,0,0|1,0,1]=4 94 B7R0.4 O=C(O)COCCS HY-140730 [1,1,0,0,0,0|1,0,1]=4 95 B7R0.7 CCOC(=O)CCN HY-Y1153 [1,1,0,0,0,0|1,0,1]=4 96 B9R0.2 CCCCCCCC(=O)O HY-41417 [0,2,0,0,0,0|1,0,0]=3 97 B9R0.2 CCCCCCCC(=O)O HY-41417R [0,2,0,0,0,0|1,0,0]=3 98 B9R0.2 COCCOCCC(=O)O HY-130231 [0,2,0,0,0,0|1,0,0]=3 99 B9R0.2 COCCOCCC(=O)O HY-133324 [0,2,0,0,0,0|1,0,0]=3 100 B9R0.2 O=C(O)CCCCCCBr HY-W007714 [0,2,0,0,0,0|1,0,1]=4 101 B9R0.45 BrCCOCCOCCBr HY-130589 [0,2,0,0,0,0|1,0,0]=3 102 B9R0.45 C#CCOCCOCCBr HY-W096164 [0,2,0,0,0,0|1,0,1]=4 103 B9R0.45 C(CC)=CCCCCCO HY-W017558 [0,2,0,0,0,0|1,0,0]=3 104 B9R0.45 C=CCCCCCCCO HY-W127362 [0,2,0,0,0,0|1,0,0]=3 105 B9R0.45 C=CCOCCOCCO HY-W047691 [0,2,0,0,0,0|0,0,1]=3 106 B9R0.45 CCCCCCCCC=O HY-N8016 [0,2,0,0,0,0|1,0,1]=4 107 B9R0.45 CCCCCCCCCO HY-W008816 [0,2,0,0,0,0|1,0,0]=3 108 B9R0.45 CCCCC\C=C/CCO HY-W127320 [0,2,0,0,0,0|1,0,0]=3 109 B9R0.45 COCCOCCN=[N+]=[N-] HY-140683 [0,2,0,0,0,0|2,0,0]=4 110 B9R0.45 ICCOCCOCCI HY-133143 [0,2,0,0,0,0|1,0,0]=3 111 B9R0.45 NCCCCNCCCN HY-B1776 [0,2,0,0,0,0|2,0,0]=4 112 B9R0.45 NCCCCNCCCN HY-B1776A [0,2,0,0,0,0|2,0,0]=4 113 B9R0.45 NCCCCNCCCN HY-B1776R [0,2,0,0,0,0|2,0,0]=4 114 B9R0.45 NCCOCCOCCN HY-128833 [0,2,0,0,0,0|1,0,0]=3 115 B9R0.45 NCCOCCOCCN HY-140646 [0,2,0,0,0,0|1,0,0]=3 116 B9R0.45 NCCOCCOCCN HY-140649 [0,2,0,0,0,0|1,0,0]=3 117 B9R0.45 NCCOCCOCCS HY-132120 [0,2,0,0,0,0|0,1,0]=3 118 B9R0.45 OCCCCCCCCO HY-W017508 [0,2,0,0,0,0|1,0,0]=3 119 B9R0.45 OCCOCCOCCBr HY-135142 [0,2,0,0,0,0|0,0,0]=2 120 B9R0.45 OCCOCCOCCO HY-W017440 [0,2,0,0,0,0|0,0,0]=2 121 B9R0.45 OCCOCCOCCO HY-W017440R [0,2,0,0,0,0|0,0,0]=2 122 B9R0.45 [N-]=[N+]=NCCCCCCO HY-138521 [0,2,0,0,0,0|2,0,0]=4 123 B9R0.46 CCCCCCC(=O)OC HY-141610 [0,2,0,0,0,0|1,0,1]=4 124 B9R0.46 CCCCCCC(=O)O[Na] HY-42935A [0,2,0,0,0,0|1,0,1]=4 125 B9R0.46 COCCOCC(O)CO HY-400147 [0,2,0,0,0,0|1,0,0]=3 126 B9R0.55 CC(C)CCCCC(=O)O HY-W101588 [0,2,0,0,0,0|1,0,1]=4 127 B7R1.1 NC[C@@H]1CCCO1 HY-W010600 [1,0,0,1,0,0|1,0,0]=3 128 B7R1.1 OC[C@@H]1CCCN1 HY-Y1126 [1,0,0,1,0,0|1,0,0]=3 129 B7R1.1 OC[C@@H]1CCNC1 HY-60263 [1,0,0,1,0,0|1,0,0]=3 130 B7R1.3 BrC1CCOCC1 HY-W003396 [1,0,0,1,0,0|1,0,0]=3 131 B7R1.3 CC1CCOCO1 HY-W111914 [1,0,0,1,0,0|0,0,0]=2 132 B7R1.3 C[C@@H]1CNCCN1 HY-34767 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.3 O=C1CCCCO1 HY-W012997 [1,0,0,1,0,0|0,0,2]=4 134 B7R1.3 O=C1CCOCC1 HY-76487 [1,0,0,1,0,0|1,0,1]=4 135 B7R1.3 OC1CCCCC1 HY-Y1217 [1,0,0,1,0,0|0,0,0]=2 136 B7R1.4 O[C@@H]1CNC[C@H]1F HY-W062336 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.7 C=CCC[C@@H]1CO1 HY-46575 [1,0,0,1,0,0|0,0,2]=4 138 B9R1.8 OCCN1CCCCC1 HY-W012728 [0,1,0,1,0,0|1,0,0]=3 139 B9R1.8 OCCN1CCNCC1 HY-41939 [0,1,0,1,0,0|1,0,0]=3 140 B9R1.83 COCCOCC1CO1 HY-400145 [0,1,0,1,0,0|1,0,0]=3 141 B9R1.132 OC[C@H]1SC[C@H](O)[C@@H]1O HY-W048245 [0,1,0,1,0,0|1,1,0]=4 142 B9R1.6 O=C(O)C1CCCCC1 HY-Y1373 [0,1,0,1,0,0|1,0,1]=4 143 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669R [0,1,0,1,0,0|1,0,1]=4 144 B9R1.6 O=C(O)[C@H]1CCCCN1 HY-Y0181 [0,1,0,1,0,0|1,0,1]=4 145 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 HY-W012734 [0,1,0,1,0,0|1,0,1]=4