0 B7R0.1 C#CCCCCCBr HY-W459522 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 C(C=O)=C/C=CCC HY-W012952 [0,0,0,0,0,0|0,0,4]=4 2 B7R0.1 C=CCCCN=C=S HY-W269799 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 CCCCCCCO HY-W099504 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.1 CCCC\C=C\C=O HY-W127398 [0,0,0,0,0,0|0,0,2]=2 5 B7R0.1 CCCSSCCC HY-W196803 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.1 COCCOCCN HY-140675 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.1 COCCOCCN HY-140676 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.1 COCCOCCN HY-140677 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.1 COCCOCCN HY-140678 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.1 COCCOCCN HY-140679 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.1 COCCOCCN HY-155881 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.1 COCCOCCN HY-155882 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.1 COCCOCCN HY-W008429 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.1 COCCOCCN HY-W598230A [0,0,0,0,0,0|3,0,1]=4 15 B7R0.1 COCCOCCO HY-140696 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.1 COCCOCCO HY-140696B [0,0,0,0,0,0|2,0,2]=4 17 B7R0.1 COCCOCCO HY-140696D [0,0,0,0,0,0|2,0,2]=4 18 B7R0.1 COCCOCCO HY-140696E [0,0,0,0,0,0|2,0,2]=4 19 B7R0.1 COCCOCCO HY-W012862 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.1 COCCOCCS HY-140706 [0,0,0,0,0,0|2,1,1]=4 21 B7R0.1 COCCOCCS HY-140708 [0,0,0,0,0,0|2,1,1]=4 22 B7R0.1 COCCOCCS HY-W591476 [0,0,0,0,0,0|2,1,1]=4 23 B7R0.1 COCCOCCS HY-W591476B [0,0,0,0,0,0|2,1,1]=4 24 B7R0.1 COCCOCCS HY-W591476C [0,0,0,0,0,0|2,1,1]=4 25 B7R0.1 CSCCCN=C=S HY-121204 [0,0,0,0,0,0|2,1,1]=4 26 B7R0.1 ClCCCCCCBr HY-W009787 [0,0,0,0,0,0|2,0,1]=3 27 B7R0.1 NCCCCCCO HY-W007957 [0,0,0,0,0,0|1,0,2]=3 28 B7R0.1 NCCCNCCS HY-103640 [0,0,0,0,0,0|2,1,1]=4 29 B7R0.1 NCCCNCCS HY-137864 [0,0,0,0,0,0|2,1,1]=4 30 B7R0.1 NCCOCCON HY-W451406A [0,0,0,0,0,0|4,0,0]=4 31 B7R0.1 NCCOCCON HY-W451406C [0,0,0,0,0,0|4,0,0]=4 32 B7R0.1 NOCCOCCO HY-126951 [0,0,0,0,0,0|4,0,0]=4 33 B7R0.1 OCCCCCCBr HY-W016455 [0,0,0,0,0,0|1,0,2]=3 34 B7R0.1 OCCCCCCCl HY-41681 [0,0,0,0,0,0|1,0,2]=3 35 B7R0.1 OCCCCCCO HY-W010505 [0,0,0,0,0,0|1,0,2]=3 36 B6R0.6 BrCCOCCBr HY-W013458 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.6 C(CO)=CCCC HY-W015936 [1,0,0,0,0,0|0,0,3]=4 38 B6R0.6 C=CCCCCO HY-W012995 [1,0,0,0,0,0|1,0,1]=3 39 B6R0.6 CCCCCCO HY-W032022 [1,0,0,0,0,0|0,0,1]=2 40 B6R0.6 CCC\C=C\C=O HY-128429 [1,0,0,0,0,0|0,0,2]=3 41 B6R0.6 CC\C=C/CCO HY-W010607 [1,0,0,0,0,0|0,0,3]=4 42 B6R0.6 ClCCNCCCl HY-Y0881 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.6 NCCCCCN HY-W016750 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.6 NCCCCCO HY-W012971 [1,0,0,0,0,0|1,0,1]=3 45 B6R0.6 NCCOCCN HY-140208 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.6 NCCOCCN HY-140648 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.6 OCCOCCBr HY-141213 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.6 OCCOCCO HY-B1952 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.6 SCCOCCS HY-145485 [1,0,0,0,0,0|2,1,0]=4 50 B8R0.1 CCOC(=O)CNC=O HY-W141893 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.4 C#CCCCCCCO HY-W008554 [0,1,0,0,0,0|1,0,1]=3 52 B8R0.4 C=CCCCCCCO HY-W127366 [0,1,0,0,0,0|1,0,0]=2 53 B8R0.4 CCCCCCCC=O HY-N8015 [0,1,0,0,0,0|0,0,0]=1 54 B8R0.4 CCCCCCCCBr HY-W032015 [0,1,0,0,0,0|1,0,1]=3 55 B8R0.4 CCCCCCCCN HY-W032014 [0,1,0,0,0,0|1,0,1]=3 56 B8R0.4 CCCCCCCCO HY-W032013 [0,1,0,0,0,0|0,0,2]=3 57 B8R0.4 CCCCSCCCC HY-W250123 [0,1,0,0,0,0|1,0,1]=3 58 B8R0.4 CC\C=C/CCCCO HY-W101301 [0,1,0,0,0,0|0,0,3]=4 59 B8R0.4 COCCOCCC=O HY-W1049075C [0,1,0,0,0,0|1,0,0]=2 60 B8R0.4 NCCCCCCCN HY-W008821 [0,1,0,0,0,0|1,0,1]=3 61 B8R0.4 OCCCCCCCBr HY-W008425 [0,1,0,0,0,0|0,0,2]=3 62 B8R0.6 C=CC(O)CCCCC HY-W010410 [0,1,0,0,0,0|1,0,0]=2 63 B8R0.6 CCCCCC(=O)O[Na] HY-W099696 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.6 CCCCCC(O)CC HY-W099689 [0,1,0,0,0,0|1,0,1]=3 65 B8R0.7 C#CCOCCC(=O)O HY-130504 [0,1,0,0,0,0|1,0,2]=4 66 B8R0.7 CC(=O)NCCCCN HY-113100 [0,1,0,0,0,0|2,0,0]=3 67 B8R0.7 CC(=O)NCCCCN HY-W342604 [0,1,0,0,0,0|2,0,0]=3 68 B8R0.7 CCCCCCC(C)=O HY-W010409 [0,1,0,0,0,0|0,0,0]=1 69 B8R0.7 COCCOCC(=O)O HY-W1048558A [0,1,0,0,0,0|2,0,0]=3 70 B8R0.7 N=C(N)NCCCCN HY-101238 [0,1,0,0,0,0|3,0,0]=4 71 B8R0.7 NCCOCCC(=O)O HY-140002 [0,1,0,0,0,0|2,0,0]=3 72 B8R0.7 O=C(O)CCOCCO HY-116655 [0,1,0,0,0,0|2,0,0]=3 73 B8R0.7 [N-]=[N+]=NCCCC(=O)O HY-W588704 [0,1,0,0,0,0|3,0,0]=4 74 B8R1.2 OCC1CCC=CO1 HY-34692 [0,0,0,1,0,0|1,0,2]=4 75 B8R1.2 OCC1CCCCO1 HY-115051 [0,0,0,1,0,0|1,0,2]=4 76 B8R1.2 OCC1CCOCC1 HY-79631 [0,0,0,1,0,0|1,0,2]=4 77 B8R1.5 CC1CCCCC1=O HY-W010549 [0,0,0,1,0,0|0,0,0]=1 78 B8R1.5 NC1CCCNC1=O HY-21088 [0,0,0,1,0,0|2,0,0]=3 79 B8R1.5 N[C@@H]1CCCC[C@H]1N HY-41957 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.5 N[C@H]1CCCNC1=O HY-W003592A [0,0,0,1,0,0|2,0,0]=3 81 B8R1.5 O=C1CCCCC1=O HY-W007347 [0,0,0,1,0,0|1,0,1]=3 82 B8R1.5 O[C@@H]1CCCC[C@H]1O HY-W010514 [0,0,0,1,0,0|1,0,2]=4 83 B8R1.8 OCCN1CCCC1 HY-W010519 [0,0,0,1,0,0|1,0,2]=4 84 B8R1.11 C=CN1CCCC1=O HY-W392209A [0,0,0,1,0,0|1,0,2]=4 85 B8R1.11 CCN1CCCC1=O HY-B1620 [0,0,0,1,0,0|1,0,0]=2 86 B8R1.11 CCN1CCCC1=O HY-B1620B [0,0,0,1,0,0|1,0,0]=2 87 B8R1.11 CCN1CCCC1=O HY-B1620H [0,0,0,1,0,0|1,0,0]=2 88 B8R1.11 CCN1CCCC1=O HY-B1620I [0,0,0,1,0,0|1,0,0]=2 89 B8R1.11 CCN1CCCC1=O HY-B1620J [0,0,0,1,0,0|1,0,0]=2 90 B8R1.11 CCN1CCCC1=O HY-B1620L [0,0,0,1,0,0|1,0,0]=2 91 B8R1.11 CCN1CCCC1=O HY-B1620O [0,0,0,1,0,0|1,0,0]=2 92 B8R1.11 CN1CCC[C@H]1CO HY-W019679 [0,0,0,1,0,0|1,0,2]=4 93 B8R1.22 O=C1CCCCCN1 HY-W010542 [0,0,0,1,0,0|1,0,0]=2 94 B8R1.22 O=C1CCCCCO1 HY-W015891 [0,0,0,1,0,0|1,0,0]=2 95 B8R1.22 O=C1CCCCCO1 HY-W392100B [0,0,0,1,0,0|1,0,0]=2 96 B8R1.22 O=C1CCCNCC1 HY-W001845 [0,0,0,1,0,0|1,0,0]=2 97 B5R0.2 CCCSSC HY-N7436 [2,0,0,0,0,0|2,0,0]=4 98 B5R0.2 CCSCCCl HY-W199190 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.2 CC\C=C\C=O HY-W111375 [2,0,0,0,0,0|0,0,2]=4 100 B5R0.2 NCCCCO HY-W002041 [2,0,0,0,0,0|1,0,1]=4 101 B7R0.4 C#CCCCC(=O)O HY-Y0925 [1,1,0,0,0,0|0,0,2]=4 102 B7R0.4 CCCCCC(C)N HY-B0952 [1,1,0,0,0,0|0,0,1]=3 103 B7R0.4 CCCCCC(C)O HY-W015879 [1,1,0,0,0,0|0,0,1]=3 104 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [1,1,0,0,0,0|0,0,2]=4 105 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [1,1,0,0,0,0|0,0,2]=4 106 B7R0.4 NCCCCC(=O)O HY-W015878 [1,1,0,0,0,0|1,0,0]=3 107 B7R0.4 NCCOCC(=O)O HY-140643 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.4 NCCOCC(=O)O HY-140644 [1,1,0,0,0,0|2,0,0]=4 109 B7R0.4 O=C(Cl)CCCCBr HY-43538 [1,1,0,0,0,0|1,0,0]=3 110 B7R0.4 O=C(O)CCCCBr HY-W016456 [1,1,0,0,0,0|1,0,0]=3 111 B7R0.4 O=C(O)COCCBr HY-130163 [1,1,0,0,0,0|2,0,0]=4 112 B7R0.4 O=C(O)COCCS HY-140730 [1,1,0,0,0,0|2,0,0]=4 113 B9R0.4 CCCCC(C)OC(C)=O HY-W250126 [0,2,0,0,0,0|1,0,0]=3 114 B9R0.48 CCCC(=O)NCC(=O)O HY-113119 [0,2,0,0,0,0|1,0,1]=4 115 B9R0.2 C#CCCCCCC(=O)O HY-69220 [0,2,0,0,0,0|0,0,1]=3 116 B9R0.2 CC(=O)NCCCCCN HY-101403 [0,2,0,0,0,0|1,0,0]=3 117 B9R0.2 CCCCCCCC(=O)O HY-41417 [0,2,0,0,0,0|0,0,0]=2 118 B9R0.2 CCCCCCCC(=O)O HY-41417R [0,2,0,0,0,0|0,0,0]=2 119 B9R0.2 CCCCC\C=C\C(=O)O HY-W046906 [0,2,0,0,0,0|0,0,1]=3 120 B9R0.2 COCCOCCC(=O)O HY-130231 [0,2,0,0,0,0|1,0,0]=3 121 B9R0.2 COCCOCCC(=O)O HY-133324 [0,2,0,0,0,0|1,0,0]=3 122 B9R0.2 NCCSSCCC(=O)O HY-140096 [0,2,0,0,0,0|2,0,0]=4 123 B9R0.2 O=C(O)CCCCCCBr HY-W007714 [0,2,0,0,0,0|0,0,0]=2 124 B9R0.2 [N-]=[N+]=NCCCCC(=O)O HY-130544 [0,2,0,0,0,0|2,0,0]=4 125 B9R0.45 C(CC)=CCCCCCO HY-W017558 [0,2,0,0,0,0|0,0,2]=4 126 B9R0.45 C=CCCCCCCCO HY-W127362 [0,2,0,0,0,0|1,0,0]=3 127 B9R0.45 C=CCOCCOCCO HY-W047691 [0,2,0,0,0,0|2,0,0]=4 128 B9R0.45 CCCCCCCCC=O HY-N8016 [0,2,0,0,0,0|0,0,0]=2 129 B9R0.45 CCCCCCCCCO HY-W008816 [0,2,0,0,0,0|0,0,2]=4 130 B9R0.45 CCCCCC\C=C\C=O HY-W089800 [0,2,0,0,0,0|0,0,0]=2 131 B9R0.45 CCCCCC\C=C\C=O HY-W089800R [0,2,0,0,0,0|0,0,0]=2 132 B9R0.45 CCCCC\C=C/CCO HY-W127320 [0,2,0,0,0,0|0,0,2]=4 133 B9R0.45 CCCC\C=C\C=C\C=O HY-W127521 [0,2,0,0,0,0|0,0,2]=4 134 B9R0.45 CC\C=C/CC\C=C\C=O HY-W127515 [0,2,0,0,0,0|0,0,2]=4 135 B9R0.45 NCCCCNCCCN HY-B1776 [0,2,0,0,0,0|1,0,1]=4 136 B9R0.45 NCCCCNCCCN HY-B1776A [0,2,0,0,0,0|1,0,1]=4 137 B9R0.45 NCCCCNCCCN HY-B1776R [0,2,0,0,0,0|1,0,1]=4 138 B9R0.45 OCCCCCCCCO HY-W017508 [0,2,0,0,0,0|0,0,2]=4 139 B9R0.45 [N-]=[N+]=NCCCCCCO HY-138521 [0,2,0,0,0,0|2,0,0]=4 140 B9R0.46 CCCCCCC(=O)OC HY-141610 [0,2,0,0,0,0|0,0,0]=2 141 B9R0.46 CCCCCCC(=O)O[Na] HY-42935A [0,2,0,0,0,0|0,0,0]=2 142 B9R0.1 COC(=O)CCCC(=O)O HY-W017523 [0,2,0,0,0,0|1,0,1]=4 143 B9R0.47 CNCCC[C@H](N)C(C)=O HY-126436C [0,2,0,0,0,0|1,0,0]=3 144 B9R0.47 NCCCCC(N)C(=O)O HY-B2236 [0,2,0,0,0,0|1,0,0]=3 145 B9R0.47 NCCCCC(N)C(=O)O HY-W027251 [0,2,0,0,0,0|1,0,0]=3 146 B9R0.47 NCCCC[C@@H](N)C(=O)O HY-Y1091 [0,2,0,0,0,0|1,0,0]=3 147 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0469 [0,2,0,0,0,0|1,0,0]=3 148 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0470 [0,2,0,0,0,0|1,0,0]=3 149 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W009762 [0,2,0,0,0,0|1,0,0]=3 150 B9R0.47 NCCCC[C@H](N)C(=O)O HY-W015370 [0,2,0,0,0,0|1,0,0]=3 151 B9R0.47 NCCSC[C@H](N)C(=O)O HY-122526 [0,2,0,0,0,0|2,0,0]=4 152 B9R0.47 N[13CH2][13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0469S1 [0,2,0,0,0,0|1,0,0]=3 153 B9R0.38 CCCCCC[N+](C)(C)C HY-W099682 [0,2,0,0,0,0|2,0,0]=4 154 B9R0.55 CC(=O)NCCCC(=O)O HY-101411 [0,2,0,0,0,0|1,0,1]=4 155 B9R0.55 CC(C)CCCCC(=O)O HY-W101588 [0,2,0,0,0,0|0,0,0]=2 156 B9R0.55 O=C(O)CCCCC(=O)O HY-B2186 [0,2,0,0,0,0|1,0,1]=4 157 B9R0.55 O=C(O)CCCCC(=O)O HY-W017522 [0,2,0,0,0,0|1,0,1]=4 158 B9R0.55 O=C(O)CCCCC(=O)O HY-W017522R [0,2,0,0,0,0|1,0,1]=4 159 B9R0.55 O=C(O)CCCC[13C](=O)O HY-W017522S3 [0,2,0,0,0,0|1,0,1]=4 160 B7R1.1 NC[C@@H]1CCCO1 HY-W010600 [1,0,0,1,0,0|1,0,1]=4 161 B7R1.1 OC[C@@H]1CCCN1 HY-Y1126 [1,0,0,1,0,0|1,0,1]=4 162 B7R1.1 OC[C@@H]1CCNC1 HY-60263 [1,0,0,1,0,0|1,0,1]=4 163 B7R1.3 BrC1CCOCC1 HY-W003396 [1,0,0,1,0,0|2,0,0]=4 164 B7R1.3 CC1CCOCO1 HY-W111914 [1,0,0,1,0,0|1,0,1]=4 165 B7R1.3 C[C@@H]1CNCCN1 HY-34767 [1,0,0,1,0,0|2,0,0]=4 166 B7R1.3 O=C1CCCCN1 HY-W042193 [1,0,0,1,0,0|1,0,0]=3 167 B7R1.3 O=C1CCCCO1 HY-W012997 [1,0,0,1,0,0|1,0,0]=3 168 B7R1.3 O=C1CCOCC1 HY-76487 [1,0,0,1,0,0|1,0,0]=3 169 B7R1.3 O=C1CCSCC1 HY-W002007 [1,0,0,1,0,0|1,0,0]=3 170 B7R1.3 O=C1CNCCN1 HY-20128 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.3 OC1CCCCC1 HY-Y1217 [1,0,0,1,0,0|0,0,1]=3 172 B7R1.4 CN1CCCC1=O HY-Y1275 [1,0,0,1,0,0|1,0,0]=3 173 B7R1.4 CN1CCNC1=O HY-W005507 [1,0,0,1,0,0|2,0,0]=4 174 B7R1.4 NC1CCSC1=O HY-101404 [1,0,0,1,0,0|2,0,0]=4 175 B7R1.4 N[C@H]1CCSC1=O HY-101404A [1,0,0,1,0,0|2,0,0]=4 176 B7R1.4 [C@H]1(N)CCOC1=O HY-W015800 [1,0,0,1,0,0|2,0,0]=4 177 B7R1.7 C=CCC[C@@H]1CO1 HY-46575 [1,0,0,1,0,0|1,0,1]=4 178 B9R1.8 OCCN1CCCCC1 HY-W012728 [0,1,0,1,0,0|0,0,2]=4 179 B9R1.48 O=C1CCCCC(=O)C1 HY-W002860 [0,1,0,1,0,0|0,0,1]=3 180 B9R1.69 CC1CN(C)CCC1=O HY-76718 [0,1,0,1,0,0|1,0,0]=3 181 B9R1.5 N[C@H]1CCCCNC1=O HY-W015366 [0,1,0,1,0,0|1,0,0]=3 182 B9R1.3 CN1CCCN(C)C1=O HY-Y0100 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.3 O=C1CCCC(=O)C1Br HY-W027690 [0,1,0,1,0,0|1,0,1]=4 184 B9R1.6 O=C(O)C1CCCCC1 HY-Y1373 [0,1,0,1,0,0|0,0,0]=2 185 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669R [0,1,0,1,0,0|1,0,0]=3 186 B9R1.6 O=C(O)C1CCCNC1 HY-69359 [0,1,0,1,0,0|1,0,0]=3 187 B9R1.6 O=C(O)C1CCNCC1 HY-Y1176 [0,1,0,1,0,0|1,0,0]=3 188 B9R1.6 O=C(O)C1CCOCC1 HY-W002155 [0,1,0,1,0,0|1,0,0]=3 189 B9R1.6 O=C(O)[C@H]1CCCCN1 HY-Y0181 [0,1,0,1,0,0|1,0,0]=3 190 B9R1.6 [C@@H]1(C(=O)O)CCCCN1 HY-W012734 [0,1,0,1,0,0|1,0,0]=3 191 B9R1.6 [C@H]1(C(=O)O)CCCNC1 HY-W012735 [0,1,0,1,0,0|1,0,0]=3 192 B9R1.41 CN1CCC[C@H]1C(=O)O HY-21754 [0,1,0,1,0,0|1,0,0]=3