0 B10R0.74 CCCCCC#CC(=O)OC D70492 [0,0,0,0,0,0|0,0,2]=2 1 B10R0.74 CCCCCCCC(=O)NN 23135 [0,0,0,0,0,0|2,0,0]=2 2 B10R0.74 CCCCCCCC(=O)NO 35665 [0,0,0,0,0,0|2,0,0]=2 3 B10R0.74 CCCCCCCC(=O)NO D89270 [0,0,0,0,0,0|2,0,0]=2 4 B10R0.74 COC(=O)CCCCCCBr F11980 [0,0,0,0,0,0|1,0,0]=1 5 B10R0.74 COC(=O)CCCCCCN 67874 [0,0,0,0,0,0|1,0,0]=1 6 B9R0.2 CC(=O)NCCCCCN F14796 [1,0,0,0,0,0|2,0,0]=3 7 B9R0.2 CC(=O)OCCCCCBr D70120 [1,0,0,0,0,0|2,0,0]=3 8 B9R0.2 CC(=O)OCCOCCCl D95763 [1,0,0,0,0,0|3,0,0]=4 9 B9R0.2 CC(=O)OCCOCCO S10606 [1,0,0,0,0,0|3,0,0]=4 10 B9R0.2 CCCCCCCB(O)O F30119 [1,0,0,0,0,0|1,0,1]=3 11 B9R0.2 CCCCCCCC(N)=O D91840 [1,0,0,0,0,0|1,0,0]=2 12 B9R0.2 CCCCCCNC(N)=S D97364 [1,0,0,0,0,0|2,1,0]=4 13 B9R0.2 CCCNCCCN(C)C D97633 [1,0,0,0,0,0|3,0,0]=4 14 B9R0.2 CC\C=C/CCOC(C)=O D88345 [1,0,0,0,0,0|1,0,2]=4 15 B9R0.2 COCCCCOC(C)=O D88465 [1,0,0,0,0,0|2,0,0]=3 16 B9R0.2 NCCCCCCC(=O)O 33797 [1,0,0,0,0,0|1,0,0]=2 17 B9R0.2 NCCCCCCC(=O)O F11866 [1,0,0,0,0,0|1,0,0]=2 18 B9R0.2 O=C(O)CCCCCCBr F11868 [1,0,0,0,0,0|1,0,0]=2 19 B9R0.2 O=C(O)CCCCCCO O11656 [1,0,0,0,0,0|1,0,0]=2 20 B9R0.45 C#CCCCCCCCC F11366 [1,0,0,0,0,0|1,0,2]=4 21 B9R0.45 CCCCCCCCC#N D91888 [1,0,0,0,0,0|2,0,1]=4 22 B9R0.45 CCCCCCCCCI D91171 [1,0,0,0,0,0|2,0,1]=4 23 B9R0.45 CCCCCCCCCO D70513 [1,0,0,0,0,0|2,0,1]=4 24 B9R0.45 CCCCCCCCNC O12029 [1,0,0,0,0,0|1,0,1]=3 25 B9R0.45 CCCCCCCNCC D90566 [1,0,0,0,0,0|2,0,0]=3 26 B9R0.45 CCCCCC\C=C/CO D91736 [1,0,0,0,0,0|2,0,1]=4 27 B9R0.45 CCCCCC\C=C\C=O D91718 [1,0,0,0,0,0|2,0,1]=4 28 B9R0.45 CC\C=C/CCCCCO D91715 [1,0,0,0,0,0|2,0,1]=4 29 B9R0.45 CNCCCCCCNC F17013 [1,0,0,0,0,0|2,0,1]=4 30 B9R0.45 COCCCCCCOC D90120 [1,0,0,0,0,0|1,0,1]=3 31 B9R0.46 CCCCCCC(=O)OC D90782 [1,0,0,0,0,0|0,0,0]=1 32 B9R0.46 COC(=O)CCCCC=O C76096 [1,0,0,0,0,0|1,0,1]=3 33 B9R0.46 COC(=O)CCCCCBr AC7709 [1,0,0,0,0,0|1,0,0]=2 34 B9R0.46 COC(=O)CCCCCN 24451 [1,0,0,0,0,0|1,0,0]=2 35 B9R0.46 COC(=O)CCCCCO D97618 [1,0,0,0,0,0|1,0,0]=2 36 B11R0.4 C=COC(=O)CCCCCCC D84790 [0,1,0,0,0,0|0,0,1]=2 37 B11R0.4 CC=CC(=O)OCCCCCC D95666 [0,1,0,0,0,0|2,0,0]=3 38 B11R0.4 CCCCCCOC(=O)COC D81462 [0,1,0,0,0,0|1,0,0]=2 39 B11R0.4 CCOC(=O)CCCCCCBr F11933 [0,1,0,0,0,0|1,0,0]=2 40 B11R0.4 CCOC(=O)CCCCCCN 34353 [0,1,0,0,0,0|1,0,0]=2 41 B11R0.40 C=CC(=O)OCCCCCCBr D93324 [0,1,0,0,0,0|2,0,1]=4 42 B11R0.40 CCCCCCC#CC(=O)OC D91742 [0,1,0,0,0,0|0,0,1]=2 43 B11R0.40 CCCCCCCCC(=O)OC D91668 [0,1,0,0,0,0|0,0,0]=1 44 B11R0.40 CCCCCCCC[C@@H](O)CC D92752 [0,1,0,0,0,0|1,0,2]=4 45 B11R0.40 CCCCCC\C=C\C(=O)OC D70493 [0,1,0,0,0,0|0,0,1]=2 46 B11R0.42 CCCCCCCC(=O)N(C)C S10478 [0,1,0,0,0,0|1,0,0]=2 47 B11R0.106 COC(=N)CCCCC(=N)OC F18404 [0,1,0,0,0,0|2,0,1]=4 48 B11R0.106 COC(=O)CCSCC(=O)OC F11365 [0,1,0,0,0,0|2,0,1]=4 49 B11R0.142 CCCCCC[C@H](Br)C(=O)OC AC8734 [0,1,0,0,0,0|0,0,0]=1 50 B11R1.1 CCCCC1CCC(O)CC1 D88877 [0,0,0,1,0,0|1,0,2]=4 51 B11R1.25 COC(=O)CNC1CCCC1 36181 [0,0,0,1,0,0|1,0,0]=2 52 B11R1.25 COC(=O)\C=C\C1CCCC1 W11685 [0,0,0,1,0,0|0,0,2]=3 53 B11R1.27 CCCCC[C@H]1CCC(=O)O1 D70273 [0,0,0,1,0,0|2,0,0]=3 54 B11R1.40 COC(=O)C=C1CCOCC1 21174 [0,0,0,1,0,0|1,0,2]=4 55 B11R1.40 COC(=O)CC1CCCCC1 F14170 [0,0,0,1,0,0|0,0,0]=1 56 B11R1.40 COC(=O)CC1CCNCC1 69553 [0,0,0,1,0,0|1,0,0]=2 57 B11R1.40 COC(=O)CC1CCNCC1 69554 [0,0,0,1,0,0|1,0,0]=2 58 B11R1.40 COC(=O)CC1CCOCC1 20899 [0,0,0,1,0,0|1,0,0]=2 59 B11R1.40 COC(=O)CN1CCNCC1 AB10052 [0,0,0,1,0,0|2,0,0]=3 60 B11R1.40 COC(=O)CN1CCOCC1 H10557 [0,0,0,1,0,0|2,0,0]=3 61 B11R1.40 COC(=O)C[C@H]1CCCNC1 22934 [0,0,0,1,0,0|1,0,0]=2 62 B11R1.40 COC(=O)C[C@H]1CNCCO1 56221 [0,0,0,1,0,0|2,0,0]=3 63 B11R1.40 COC(=O)C[C@H]1COCCN1 66841 [0,0,0,1,0,0|2,0,0]=3 64 B11R1.40 COC(=O)C[C@H]1COCCN1 67407 [0,0,0,1,0,0|2,0,0]=3 65 B11R1.40 NCC(=O)NC1CCCCC1 AB1057 [0,0,0,1,0,0|3,0,0]=4 66 B11R1.40 O=C(CCl)NC1CCCCC1 A10306 [0,0,0,1,0,0|3,0,0]=4 67 B11R1.40 O=C(CCl)OC1CCCCC1 71088 [0,0,0,1,0,0|3,0,0]=4 68 B11R1.222 COC(=O)C1CNCCC1O D83780 [0,0,0,1,0,0|2,0,0]=3 69 B11R1.222 COC(=O)C1CNCCC1O F11975 [0,0,0,1,0,0|2,0,0]=3 70 B11R1.222 COC(=O)[C@@H]1CCCCC1=O F11965 [0,0,0,1,0,0|1,0,1]=3 71 B11R1.222 COC(=O)[C@@H]1CCCCN1C D95653 [0,0,0,1,0,0|1,0,0]=2 72 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1O D83889 [0,0,0,1,0,0|1,0,0]=2 73 B11R1.222 COC(=O)[C@@H]1CNCCC1=O 64195 [0,0,0,1,0,0|2,0,1]=4 74 B11R1.222 COC(=O)[C@@H]1COCCC1=O 82659 [0,0,0,1,0,0|2,0,1]=4 75 B11R1.222 COC(=O)[C@@H]1CSCCC1=O 87735 [0,0,0,1,0,0|2,0,1]=4 76 B11R1.228 COC(=O)CN1CCCC1=O D91832 [0,0,0,1,0,0|2,0,1]=4 77 B11R1.852 COC(=O)[C@@H]1CNCCCO1 AC2994 [0,0,0,1,0,0|2,0,0]=3 78 B8R0.4 C=CCCCCCCBr 78390 [2,0,0,0,0,0|1,0,1]=4 79 B8R0.4 C=CCCCCCCCl I11995 [2,0,0,0,0,0|1,0,1]=4 80 B8R0.4 CCCCCCCCCl D97411 [2,0,0,0,0,0|1,0,1]=4 81 B8R0.4 CCCCCCCCI W18672 [2,0,0,0,0,0|1,0,1]=4 82 B8R0.4 CCCCCCCCN D91873 [2,0,0,0,0,0|1,0,1]=4 83 B8R0.4 CCCCCCCCN D91878 [2,0,0,0,0,0|1,0,1]=4 84 B8R0.4 CCCCCCCNC D82019 [2,0,0,0,0,0|1,0,0]=3 85 B8R0.4 CCCCC\C=C\C=O D91827 [2,0,0,0,0,0|0,0,2]=4 86 B8R0.4 CCCCOCCOC A11001 [2,0,0,0,0,0|1,0,0]=3 87 B8R0.4 CCCC[SnH4+2]CCCC D95293 [2,0,0,0,0,0|1,0,1]=4 88 B8R0.4 CCCC[SnH4+2]CCCC D95356 [2,0,0,0,0,0|1,0,1]=4 89 B8R0.4 COCCNCCOC F11888 [2,0,0,0,0,0|2,0,0]=4 90 B8R0.4 COCCOCCCBr S10711 [2,0,0,0,0,0|2,0,0]=4 91 B8R0.4 COCCOCCCN A10954 [2,0,0,0,0,0|2,0,0]=4 92 B8R0.4 COCCOCCOC D80970 [2,0,0,0,0,0|2,0,0]=4 93 B8R0.4 OCCCCCCCBr 34162 [2,0,0,0,0,0|1,0,1]=4 94 B8R0.4 OCCCCCCCCl D97219 [2,0,0,0,0,0|1,0,1]=4 95 B8R0.4 OCCCCCCCO H10510 [2,0,0,0,0,0|1,0,1]=4 96 B8R0.7 C#CCCCCC(=O)O 76366 [2,0,0,0,0,0|0,0,2]=4 97 B8R0.7 C=CCCCCC(=O)O I11996 [2,0,0,0,0,0|0,0,2]=4 98 B8R0.7 CC(=O)OCCCCBr F16811 [2,0,0,0,0,0|2,0,0]=4 99 B8R0.7 CC(=O)OCCCCCl H10679 [2,0,0,0,0,0|2,0,0]=4 100 B8R0.7 CCCCCCB(O)O 33195 [2,0,0,0,0,0|1,0,1]=4 101 B8R0.7 CCCCCCC(=O)Cl A10863 [2,0,0,0,0,0|1,0,0]=3 102 B8R0.7 CCCCCCC(=O)[O-] D90422 [2,0,0,0,0,0|0,0,1]=3 103 B8R0.7 CCCCCCC(N)=O D93021 [2,0,0,0,0,0|1,0,0]=3 104 B8R0.7 CCCCCC[C@H](C)Br F21283 [2,0,0,0,0,0|1,0,1]=4 105 B8R0.7 CCCCCC[C@H](C)O AC1155 [2,0,0,0,0,0|0,0,2]=4 106 B8R0.7 CCCCCC[C@H](C)O D71187 [2,0,0,0,0,0|0,0,2]=4 107 B8R0.7 CCCCCC[C@H](C)O D81747 [2,0,0,0,0,0|0,0,2]=4 108 B8R0.7 CCCCCOC(=O)Cl D89273 [2,0,0,0,0,0|2,0,0]=4 109 B8R0.7 CCCCOCC(=O)O AC1559 [2,0,0,0,0,0|1,0,0]=3 110 B8R0.7 CCCC\C=C\C(=O)O D90864 [2,0,0,0,0,0|0,0,2]=4 111 B8R0.7 COCCOCC(=O)O D74540 [2,0,0,0,0,0|2,0,0]=4 112 B8R0.7 CSCCCOC(C)=O D91595 [2,0,0,0,0,0|2,0,0]=4 113 B8R0.7 NC(=O)CCCCCBr 74914 [2,0,0,0,0,0|2,0,0]=4 114 B8R0.7 O=C(Cl)CCCCCBr D88888 [2,0,0,0,0,0|2,0,0]=4 115 B8R0.7 O=C(O)CCCCCBr F11242 [2,0,0,0,0,0|1,0,0]=3 116 B8R0.7 O=C(O)CCCCCCl D77823 [2,0,0,0,0,0|1,0,0]=3 117 B8R0.7 O=C(O)CCCCCO S10488 [2,0,0,0,0,0|1,0,0]=3 118 B8R0.7 O=C(O)CCNCCO D94998 [2,0,0,0,0,0|2,0,0]=4 119 B8R0.7 O=C([O-])CCCCCO Y10610 [2,0,0,0,0,0|1,0,1]=4 120 B8R0.6 C#CCCCC(=O)OC C90747 [2,0,0,0,0,0|0,0,2]=4 121 B8R0.6 C=CC(=O)CCCCC D71008 [2,0,0,0,0,0|1,0,1]=4 122 B8R0.6 C=CCCCC(=O)OC H11902 [2,0,0,0,0,0|0,0,2]=4 123 B8R0.6 CCCCNC(=O)CC D88679 [2,0,0,0,0,0|2,0,0]=4 124 B8R0.6 CCC\C=C\C(=O)OC 28979 [2,0,0,0,0,0|0,0,2]=4 125 B8R0.6 CCC\C=C\C(=O)OC AC7684 [2,0,0,0,0,0|0,0,2]=4 126 B8R0.6 CCNCCC(=O)OC 31591 [2,0,0,0,0,0|1,0,0]=3 127 B8R0.6 CC\C=C\CC(=O)OC D93382 [2,0,0,0,0,0|0,0,2]=4 128 B8R0.6 CNCCCC(=O)OC AB9747 [2,0,0,0,0,0|1,0,0]=3 129 B8R0.6 COC(=O)CCCC#N 32622 [2,0,0,0,0,0|1,0,1]=4 130 B8R0.6 COC(=O)CCCCBr 76669 [2,0,0,0,0,0|1,0,0]=3 131 B8R0.6 COC(=O)CCCCCl D75917 [2,0,0,0,0,0|1,0,0]=3 132 B8R0.6 COC(=O)CCCCN 76218 [2,0,0,0,0,0|1,0,0]=3 133 B8R0.6 COC(=O)COCCCl 39408 [2,0,0,0,0,0|2,0,0]=4 134 B8R0.6 COCCCC(=O)OC F14920 [2,0,0,0,0,0|1,0,0]=3 135 B10R0.3 CCCC(=O)CCCC(=O)O D93029 [1,1,0,0,0,0|0,0,1]=3 136 B10R0.3 CCC[C@H](S)CCOC(C)=O D91605 [1,1,0,0,0,0|1,0,0]=3 137 B10R0.3 CCOC(=O)CCCC(=O)O 73291 [1,1,0,0,0,0|1,0,1]=4 138 B10R0.3 CCOC(=O)CCCC(C)=O 95732 [1,1,0,0,0,0|1,0,1]=4 139 B10R0.4 C=CCCCCCCC(=O)O I11998 [1,1,0,0,0,0|0,0,1]=3 140 B10R0.4 CCCCCCCCB(O)O 33153 [1,1,0,0,0,0|1,0,1]=4 141 B10R0.4 CCCCCCCCC(=O)Cl D91690 [1,1,0,0,0,0|1,0,0]=3 142 B10R0.4 CCCCCCCCC(=O)[O-] D91669 [1,1,0,0,0,0|0,0,1]=3 143 B10R0.4 CCCCCCCCC(C)=O D89897 [1,1,0,0,0,0|0,0,0]=2 144 B10R0.4 CCCCCCCOC(=O)Cl 62102 [1,1,0,0,0,0|1,0,0]=3 145 B10R0.4 NCCCCCCCC(=O)O 52148 [1,1,0,0,0,0|0,0,0]=2 146 B10R0.4 NCCOCCOCC(=O)O 20975 [1,1,0,0,0,0|2,0,0]=4 147 B10R0.4 NCCOCCOCC(=O)O F15066 [1,1,0,0,0,0|2,0,0]=4 148 B10R0.4 O=C(O)CCCCCCCBr C10414 [1,1,0,0,0,0|0,0,0]=2 149 B10R0.4 O=CCCCCCCC(=O)O D80547 [1,1,0,0,0,0|0,0,1]=3 150 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O AT15139 [1,1,0,0,0,0|2,0,0]=4 151 B10R0.22 CCCCCCCS(=O)(=O)[O-] F10019 [1,1,0,0,0,0|1,0,1]=4 152 B10R0.22 CCCCCCCS(=O)(=O)[O-] F10034 [1,1,0,0,0,0|1,0,1]=4 153 B10R0.22 CCCCCCOS(C)(=O)=O D70753 [1,1,0,0,0,0|2,0,0]=4 154 B10R0.55 COC(=O)CCCCC(=O)O O11605 [1,1,0,0,0,0|1,0,1]=4 155 B10R0.75 CCCCCC[C@H](N)C(=O)O C14122 [1,1,0,0,0,0|0,0,0]=2 156 B10R0.75 CCCCCC[C@H](N)C(=O)O D86759 [1,1,0,0,0,0|0,0,0]=2 157 B10R0.75 CCCCCC[C@H](N)C(=O)O S10911 [1,1,0,0,0,0|0,0,0]=2 158 B10R0.75 CCCCCC[C@H](O)C(=O)O D81442 [1,1,0,0,0,0|0,0,0]=2 159 B10R0.75 CNCCCC[C@H](N)C(=O)O F11031 [1,1,0,0,0,0|1,0,0]=3 160 B10R0.75 N[C@@H](CSCCCO)C(=O)O A11344 [1,1,0,0,0,0|2,0,0]=4 161 B10R0.75 O=C(O)C(=O)CCCCCCl D93207 [1,1,0,0,0,0|1,0,1]=4 162 B10R0.78 CCCC[C@H](C)CCC(=O)O D83868 [1,1,0,0,0,0|0,0,0]=2 163 B10R0.78 CCCOC(=O)CCC(C)=O 43143 [1,1,0,0,0,0|1,0,1]=4 164 B10R0.97 CC(=O)CCCCCC(=O)O W15940 [1,1,0,0,0,0|0,0,1]=3 165 B10R0.97 CC(C)CCCCCC(=O)O D93038 [1,1,0,0,0,0|0,0,0]=2 166 B10R0.97 O=C(O)CCCCCC(=O)O D70876 [1,1,0,0,0,0|1,0,1]=4 167 B10R0.71 CCCCCCCCCCI D95272 [1,1,0,0,0,0|1,0,1]=4 168 B10R0.71 CCCCCCCCCCN C93407 [1,1,0,0,0,0|1,0,1]=4 169 B10R0.71 CCCCCCCCCCS D94658 [1,1,0,0,0,0|1,0,1]=4 170 B10R0.71 CCCCCCC\C=C\C=O A11384 [1,1,0,0,0,0|1,0,1]=4 171 B10R0.18 CCCCC(=O)CC(=O)OC H10810 [1,1,0,0,0,0|0,0,1]=3 172 B10R0.18 CCOCC(=O)CC(=O)OC D95601 [1,1,0,0,0,0|1,0,1]=4 173 B10R0.83 COC(=O)[C@@H](N)CCCCN F10815 [1,1,0,0,0,0|1,0,0]=3 174 B10R0.83 COC(=O)[C@@H](N)CCCCN F10989 [1,1,0,0,0,0|1,0,0]=3 175 B10R0.108 CCOC(=O)CCC(=O)OC D93546 [1,1,0,0,0,0|1,0,1]=4 176 B12R0.1 CCCCCCCCC(=O)OCC D70268 [0,2,0,0,0,0|0,0,0]=2 177 B12R0.1 CCOC(=O)CCCCCCCBr 36210 [0,2,0,0,0,0|0,0,0]=2 178 B12R0.4 CCCCCCCC(=O)CC(C)C H10895 [0,2,0,0,0,0|1,0,0]=3 179 B12R0.4 CCCCCCC[C@H](C)OC(C)=O D88435 [0,2,0,0,0,0|1,0,1]=4 180 B12R0.114 CCCCCC[C@H](Br)C(=O)OCC D70580 [0,2,0,0,0,0|0,0,0]=2 181 B12R0.114 CCOC(=O)C(=O)CCCCCCl AC2328 [0,2,0,0,0,0|1,0,1]=4 182 B12R0.206 CCCCCCCC(=O)OCCC D92187 [0,2,0,0,0,0|0,0,0]=2 183 B12R0.239 CCCCC[C@H](C)OC(=O)CCC D93438 [0,2,0,0,0,0|2,0,0]=4 184 B12R0.277 CCOC(=O)CCCCCC(=O)O H11366 [0,2,0,0,0,0|1,0,1]=4 185 B12R0.285 CCOC(=O)CCCC(=O)OCC AC7843 [0,2,0,0,0,0|1,0,1]=4 186 B12R0.57 CCCCCCCCC(OC)OC D97662 [0,2,0,0,0,0|0,0,2]=4 187 B12R0.183 COC(=O)CCCCCC(=O)OC S12124 [0,2,0,0,0,0|0,0,1]=3 188 B12R0.183 COC(=O)CCSCCC(=O)OC 78947 [0,2,0,0,0,0|1,0,1]=4 189 B12R0.184 COC(=O)CCCCCCC(=O)O 35897 [0,2,0,0,0,0|0,0,1]=3 190 B12R0.184 COC(=O)CCCCCOC(C)=O D88424 [0,2,0,0,0,0|0,0,1]=3 191 B12R0.248 C=CCCCCCCCC(=O)OC A11197 [0,2,0,0,0,0|0,0,0]=2 192 B12R0.248 CCCCCCCCOC(=O)CN C10282 [0,2,0,0,0,0|2,0,0]=4 193 B12R0.248 CCCCCCCCOC(=O)CS D92371 [0,2,0,0,0,0|2,0,0]=4 194 B12R0.248 COC(=O)CCCCCCCCO S10650 [0,2,0,0,0,0|0,0,0]=2 195 B12R0.156 COC(=O)CCC[C@H](C)C(=O)OC 61881 [0,2,0,0,0,0|1,0,1]=4 196 B10R1.10 CCC[C@H]1CCCC(=O)O1 D70795 [1,0,0,1,0,0|0,0,0]=2 197 B10R1.18 CC(=O)NC1CCNCC1 50436 [1,0,0,1,0,0|2,0,0]=4 198 B10R1.18 NC(=O)NC1CCCCC1 AC9450 [1,0,0,1,0,0|2,0,0]=4 199 B10R1.18 O=C(O)C=C1CCCCC1 A51178 [1,0,0,1,0,0|0,0,2]=4 200 B10R1.18 O=C(O)CC1=CCCCC1 D70526 [1,0,0,1,0,0|0,0,2]=4 201 B10R1.18 O=C(O)CC1CCCCC1 F11130 [1,0,0,1,0,0|0,0,0]=2 202 B10R1.18 O=C(O)CC1CCNCC1 65126 [1,0,0,1,0,0|1,0,0]=3 203 B10R1.18 O=C(O)CC1CCOCC1 69697 [1,0,0,1,0,0|1,0,0]=3 204 B10R1.18 O=C(O)CN1CCCCC1 29815 [1,0,0,1,0,0|1,0,0]=3 205 B10R1.18 O=C(O)CN1CCCCC1 D83454 [1,0,0,1,0,0|1,0,0]=3 206 B10R1.18 O=C(O)CN1CCCCC1 D97813 [1,0,0,1,0,0|1,0,0]=3 207 B10R1.18 O=C(O)CN1CCNCC1 12475 [1,0,0,1,0,0|2,0,0]=4 208 B10R1.18 O=C(O)CN1CCNCC1 D80298 [1,0,0,1,0,0|2,0,0]=4 209 B10R1.18 O=C(O)CN1CCNCC1 R10048 [1,0,0,1,0,0|2,0,0]=4 210 B10R1.18 O=C(O)CN1CCOCC1 64300 [1,0,0,1,0,0|2,0,0]=4 211 B10R1.18 O=C(O)CN1CCOCC1 AR3068 [1,0,0,1,0,0|2,0,0]=4 212 B10R1.18 O=C(O)C[C@H]1CCCCO1 AC1470 [1,0,0,1,0,0|1,0,0]=3 213 B10R1.18 O=C(O)C[C@H]1CCCNC1 23614 [1,0,0,1,0,0|1,0,0]=3 214 B10R1.18 O=C(O)C[C@H]1CCCNC1 30799 [1,0,0,1,0,0|1,0,0]=3 215 B10R1.18 O=C(O)C[C@H]1CNCCO1 56223 [1,0,0,1,0,0|2,0,0]=4 216 B10R1.39 CCN1CCC[C@H]1C(N)=O D90520 [1,0,0,1,0,0|2,0,0]=4 217 B10R1.61 CC(=O)[C@@H]1CCCCC1=O 35255 [1,0,0,1,0,0|1,0,1]=4 218 B10R1.61 CC1NCCCC1C(=O)O C71830 [1,0,0,1,0,0|1,0,0]=3 219 B10R1.61 CN1CCCC[C@H]1C(=O)O 71306 [1,0,0,1,0,0|1,0,0]=3 220 B10R1.61 CN1CCCC[C@H]1C(=O)O W10205 [1,0,0,1,0,0|1,0,0]=3 221 B10R1.61 O=C(O)C1CCCCC1O 26766 [1,0,0,1,0,0|1,0,0]=3 222 B10R1.66 CC(=O)OC[C@H]1CCCO1 F16574 [1,0,0,1,0,0|2,0,0]=4 223 B10R1.66 O=C(Cl)CCC1CCCC1 FD10555 [1,0,0,1,0,0|1,0,0]=3 224 B10R1.66 O=C(O)CCC1CCCC1 73318 [1,0,0,1,0,0|0,0,0]=2 225 B10R1.66 O=C(O)CCC1OCCO1 25876 [1,0,0,1,0,0|2,0,0]=4 226 B10R1.66 O=C(O)CCN1CCCC1 71482 [1,0,0,1,0,0|1,0,0]=3 227 B10R1.66 O=C(O)COC1CCCC1 30678 [1,0,0,1,0,0|1,0,0]=3 228 B10R1.66 O=C(O)\C=C\C1CCCC1 W11636 [1,0,0,1,0,0|0,0,2]=4 229 B10R1.86 CCCN1CC[C@H]1C(=O)O P15802 [1,0,0,1,0,0|1,0,0]=3 230 B10R1.126 O=C(O)CCCCC1CC1 D84271 [1,0,0,1,0,0|0,0,0]=2 231 B10R1.348 CC(=O)N1CCCNCC1 50432 [1,0,0,1,0,0|2,0,0]=4 232 B10R1.348 O=C(O)C1CCCCCC1 O11712 [1,0,0,1,0,0|0,0,0]=2 233 B10R1.348 O=C(O)[C@@H]1CNCCCO1 31447 [1,0,0,1,0,0|2,0,0]=4 234 B10R1.348 O=C(O)[C@H]1CCCNCC1 37184 [1,0,0,1,0,0|1,0,0]=3 235 B10R1.17 COCCC1CCNCC1 38532 [1,0,0,1,0,0|1,0,1]=4 236 B10R1.1 CCCC1CCC(=O)CC1 65224 [1,0,0,1,0,0|1,0,0]=3 237 B10R1.1 CCCN1CCC(=O)CC1 F17115 [1,0,0,1,0,0|2,0,0]=4 238 B10R1.1 CCOC1CCC(=O)CC1 F31362 [1,0,0,1,0,0|2,0,0]=4 239 B10R1.2 CN1C(=O)CCC[C@@H]1CN P14725 [1,0,0,1,0,0|2,0,0]=4 240 B10R1.15 CCC(=O)C1CCNCC1 D80905 [1,0,0,1,0,0|2,0,0]=4 241 B10R1.15 CNC(=O)C1CCNCC1 Y10624 [1,0,0,1,0,0|2,0,0]=4 242 B10R1.15 CNC(=O)C1CCNCC1 Y10987 [1,0,0,1,0,0|2,0,0]=4 243 B10R1.15 COC(=O)C1=CCCCC1 O11977 [1,0,0,1,0,0|0,0,2]=4 244 B10R1.15 COC(=O)C1CCCCC1 D77686 [1,0,0,1,0,0|0,0,0]=2 245 B10R1.15 COC(=O)C1CCNCC1 64367 [1,0,0,1,0,0|1,0,0]=3 246 B10R1.15 COC(=O)C1CCNCC1 F11229 [1,0,0,1,0,0|1,0,0]=3 247 B10R1.15 COC(=O)C1CCOCC1 63174 [1,0,0,1,0,0|1,0,0]=3 248 B10R1.15 COC(=O)N1CCNCC1 63508 [1,0,0,1,0,0|2,0,0]=4 249 B10R1.15 COC(=O)[C@@H]1CC=CCC1 H10726 [1,0,0,1,0,0|0,0,2]=4 250 B10R1.15 COC(=O)[C@@H]1CC=CCC1 P18355 [1,0,0,1,0,0|0,0,2]=4 251 B10R1.15 COC(=O)[C@@H]1CCCCN1 26190 [1,0,0,1,0,0|1,0,0]=3 252 B10R1.15 COC(=O)[C@@H]1CCCCN1 33254 [1,0,0,1,0,0|1,0,0]=3 253 B10R1.15 COC(=O)[C@@H]1CCCCN1 68797 [1,0,0,1,0,0|1,0,0]=3 254 B10R1.15 COC(=O)[C@@H]1CCCCN1 C10695 [1,0,0,1,0,0|1,0,0]=3 255 B10R1.15 COC(=O)[C@@H]1CCCCO1 31348 [1,0,0,1,0,0|1,0,0]=3 256 B10R1.15 COC(=O)[C@@H]1CNCCN1 65230 [1,0,0,1,0,0|2,0,0]=4 257 B10R1.15 COC(=O)[C@@H]1CNCCN1 68439 [1,0,0,1,0,0|2,0,0]=4 258 B10R1.15 COC(=O)[C@@H]1CNCCN1 70261 [1,0,0,1,0,0|2,0,0]=4 259 B10R1.15 COC(=O)[C@@H]1CNCCO1 72534 [1,0,0,1,0,0|2,0,0]=4 260 B10R1.15 COC(=O)[C@@H]1CNCCO1 77678 [1,0,0,1,0,0|2,0,0]=4 261 B10R1.15 COC(=O)[C@@H]1CNCCO1 77679 [1,0,0,1,0,0|2,0,0]=4 262 B10R1.15 COC(=O)[C@@H]1COCCN1 77674 [1,0,0,1,0,0|2,0,0]=4 263 B10R1.15 COC(=O)[C@@H]1COCCN1 AC2358 [1,0,0,1,0,0|2,0,0]=4 264 B10R1.15 COC(=O)[C@@H]1COCCN1 S10486 [1,0,0,1,0,0|2,0,0]=4 265 B10R1.15 COC(=O)[C@H]1CCCNC1 26438 [1,0,0,1,0,0|1,0,0]=3 266 B10R1.15 COC(=O)[C@H]1CCCNC1 64008 [1,0,0,1,0,0|1,0,0]=3 267 B10R1.15 COC(=O)[C@H]1CCCNC1 78888 [1,0,0,1,0,0|1,0,0]=3 268 B10R1.15 COC(=O)[C@H]1CCCNC1 AB1541 [1,0,0,1,0,0|1,0,0]=3 269 B10R1.15 COC(=O)[C@H]1CCCOC1 SC3171 [1,0,0,1,0,0|1,0,0]=3 270 B10R1.15 NNC(=O)C1CCCCC1 D82260 [1,0,0,1,0,0|2,0,0]=4 271 B10R1.15 O=C(CBr)C1CCCCC1 26392 [1,0,0,1,0,0|2,0,0]=4 272 B10R1.27 COC(=O)CC1CCCC1 F11964 [1,0,0,1,0,0|0,0,0]=2 273 B10R1.149 COC(=O)[C@@H]1CCCC1=O FD9017 [1,0,0,1,0,0|1,0,1]=4 274 B10R1.153 COC(=O)CCNC1CC1 32671 [1,0,0,1,0,0|1,0,0]=3 275 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 AC2158 [0,1,0,1,0,0|2,0,0]=4 276 B12R1.32 CCCC(=O)OC1CCCCC1 D88681 [0,1,0,1,0,0|2,0,0]=4 277 B12R1.32 CCOC(=O)CC1CCNCC1 60917 [0,1,0,1,0,0|1,0,0]=3 278 B12R1.32 CCOC(=O)CC1CCNCC1 69550 [0,1,0,1,0,0|1,0,0]=3 279 B12R1.32 CCOC(=O)CC1CCOCC1 50745 [0,1,0,1,0,0|1,0,0]=3 280 B12R1.32 CCOC(=O)CN1CCCCC1 AC2282 [0,1,0,1,0,0|1,0,0]=3 281 B12R1.32 CCOC(=O)CN1CCNCC1 60925 [0,1,0,1,0,0|2,0,0]=4 282 B12R1.32 CCOC(=O)CN1CCOCC1 30940 [0,1,0,1,0,0|2,0,0]=4 283 B12R1.32 CCOC(=O)C[C@H]1CCCCN1 30366 [0,1,0,1,0,0|1,0,0]=3 284 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 37951 [0,1,0,1,0,0|1,0,0]=3 285 B12R1.37 CCCCCCCC1OCCO1 D95406 [0,1,0,1,0,0|0,0,2]=4 286 B12R1.308 CCOC(=O)[C@@H]1CCCCC1=O 83355 [0,1,0,1,0,0|1,0,1]=4 287 B12R1.308 CCOC(=O)[C@@H]1CCCCN1C 39381 [0,1,0,1,0,0|1,0,0]=3 288 B12R1.318 CCOC(=O)C[C@H]1CCCC1=O 29472 [0,1,0,1,0,0|1,0,1]=4 289 B12R1.372 CCCCCCN1CCCC1=O 68655 [0,1,0,1,0,0|2,0,0]=4 290 B12R1.1 CCCCCC1CCC(=O)CC1 F16593 [0,1,0,1,0,0|1,0,0]=3 291 B12R1.7 CCCCCC[C@H]1CCC(=O)O1 D70097 [0,1,0,1,0,0|1,0,0]=3 292 B12R1.27 COC(=O)CCN1CCOCC1 VT1309 [0,1,0,1,0,0|1,0,0]=3 293 B12R1.27 O=C(CCl)NCC1CCCCC1 D93436 [0,1,0,1,0,0|2,0,0]=4 294 B12R1.353 COC(=O)CCN1CCCC1=O 20830 [0,1,0,1,0,0|1,0,1]=4 295 B12R1.365 COC(=O)[C@@H]1CCCCCC1=O 63241 [0,1,0,1,0,0|0,0,1]=3 296 B12R1.477 COC(=O)CCNC1CCCC1 24505 [0,1,0,1,0,0|0,0,0]=2 297 B12R1.43 C[C@H](N)C(=O)OC1CCCCC1 F11552 [0,1,0,1,0,0|2,0,0]=4 298 B12R1.49 COC(=O)CC1CCN(C)CC1 AB9757 [0,1,0,1,0,0|1,0,0]=3 299 B12R1.49 COC(=O)CN1CCN(C)CC1 29268 [0,1,0,1,0,0|2,0,0]=4 300 B12R1.435 COC(=O)[C@H]1CCC[C@@H](CO)C1 D79003 [0,1,0,1,0,0|1,0,0]=3 301 B12R1.1710 COC(=O)[C@H]1CC[C@@H]1C(=O)OC P19729 [0,1,0,1,0,0|1,0,1]=4 302 B12R1.50 COC(=O)CC1CCCC(O)C1 32694 [0,1,0,1,0,0|0,0,0]=2 303 B12R1.366 COC(=O)[C@H]1CCNCC1(C)C W12014 [0,1,0,1,0,0|1,0,0]=3 304 B12R1.34 COC(=O)C(=O)C1CCCCC1 P13986 [0,1,0,1,0,0|0,0,1]=3 305 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 76587 [0,1,0,1,0,0|0,0,0]=2 306 B12R1.34 COC(=O)[C@@H](N)C1CCCCC1 F14486 [0,1,0,1,0,0|0,0,0]=2 307 B12R1.34 COC(=O)[C@@H](N)C1CCOCC1 39156 [0,1,0,1,0,0|1,0,0]=3 308 B12R1.34 COC(=O)[C@@H](N)C1CCOCC1 F31226 [0,1,0,1,0,0|1,0,0]=3 309 B12R1.3524 COC(=O)CC1(N)CCCCC1 63919 [0,1,0,1,0,0|0,0,0]=2 310 B12R2.24 O=C1CCC2CCCCC2O1 D73280 [0,0,0,2,0,0|0,0,0]=2 311 B12R2.2918 O=C1CC2(CCCCC2)CN1 AC1536 [0,0,0,2,0,0|1,0,0]=3 312 B12R2.2918 O=C1CC2(CCOCC2)CN1 37763 [0,0,0,2,0,0|2,0,0]=4 313 B12R2.2918 O=C1CCC2(CCCCC2)O1 A10840 [0,0,0,2,0,0|2,0,0]=4