0 B10R0.4 C=CCCCCCCC(=O)O I11998 [0,0,0,0,0,0|0,0,2]=2 1 B10R0.4 CCCCCCCCB(O)O 33153 [0,0,0,0,0,0|1,0,1]=2 2 B10R0.4 CCCCCCCCC(=O)Cl D91690 [0,0,0,0,0,0|1,0,0]=1 3 B10R0.4 CCCCCCCCC(=O)[O-] D91669 [0,0,0,0,0,0|0,0,1]=1 4 B10R0.4 CCCCCCCCC(C)=O D89897 [0,0,0,0,0,0|1,0,0]=1 5 B10R0.4 CCCCCCCOC(=O)Cl 62102 [0,0,0,0,0,0|2,0,0]=2 6 B10R0.4 NCCCCCCCC(=O)O 52148 [0,0,0,0,0,0|1,0,0]=1 7 B10R0.4 NCCOCCOCC(=O)O 20975 [0,0,0,0,0,0|3,0,0]=3 8 B10R0.4 NCCOCCOCC(=O)O F15066 [0,0,0,0,0,0|3,0,0]=3 9 B10R0.4 O=C(O)CCCCCCCBr C10414 [0,0,0,0,0,0|1,0,0]=1 10 B10R0.4 O=CCCCCCCC(=O)O D80547 [0,0,0,0,0,0|1,0,1]=2 11 B10R0.4 [N-]=[N+]=NCCCCCC(=O)O AT15139 [0,0,0,0,0,0|3,0,0]=3 12 B9R0.2 CC(=O)NCCCCCN F14796 [1,0,0,0,0,0|3,0,0]=4 13 B9R0.2 CC(=O)OCCCCCBr D70120 [1,0,0,0,0,0|3,0,0]=4 14 B9R0.2 CCCCCCCB(O)O F30119 [1,0,0,0,0,0|1,0,1]=3 15 B9R0.2 CCCCCCCC(N)=O D91840 [1,0,0,0,0,0|1,0,0]=2 16 B9R0.2 CCCCCCNC(N)=S D97364 [1,0,0,0,0,0|2,1,0]=4 17 B9R0.2 COCCCCOC(C)=O D88465 [1,0,0,0,0,0|3,0,0]=4 18 B9R0.2 NCCCCCCC(=O)O 33797 [1,0,0,0,0,0|1,0,0]=2 19 B9R0.2 NCCCCCCC(=O)O F11866 [1,0,0,0,0,0|1,0,0]=2 20 B9R0.2 O=C(O)CCCCCCBr F11868 [1,0,0,0,0,0|1,0,0]=2 21 B9R0.2 O=C(O)CCCCCCO O11656 [1,0,0,0,0,0|1,0,0]=2 22 B9R0.45 BrCCCCCCCCBr O10358 [1,0,0,0,0,0|2,0,1]=4 23 B9R0.45 C#CCCCCCCCC F11366 [1,0,0,0,0,0|1,0,1]=3 24 B9R0.45 C#CCCCCCCCO W16725 [1,0,0,0,0,0|0,0,3]=4 25 B9R0.45 C=CCCCCCCC=C D89618 [1,0,0,0,0,0|1,0,2]=4 26 B9R0.45 C=CCCCCCCCBr I11993 [1,0,0,0,0,0|2,0,0]=3 27 B9R0.45 C=CCCCCCCCCl N12233 [1,0,0,0,0,0|2,0,0]=3 28 B9R0.45 C=CCCCCCCCO D91757 [1,0,0,0,0,0|2,0,0]=3 29 B9R0.45 CCCCCCCCC#N D91888 [1,0,0,0,0,0|1,0,1]=3 30 B9R0.45 CCCCCCCCCI D91171 [1,0,0,0,0,0|1,0,1]=3 31 B9R0.45 CCCCCCCCCO D70513 [1,0,0,0,0,0|0,0,1]=2 32 B9R0.45 CCCCCCCCNC O12029 [1,0,0,0,0,0|2,0,0]=3 33 B9R0.45 CCCCCCCNCC D90566 [1,0,0,0,0,0|2,0,1]=4 34 B9R0.45 CCCCCC\C=C/CO D91736 [1,0,0,0,0,0|0,0,3]=4 35 B9R0.45 CCCCCC\C=C\C=O D91718 [1,0,0,0,0,0|0,0,2]=3 36 B9R0.45 CCCCNCCCCO D88720 [1,0,0,0,0,0|1,0,1]=3 37 B9R0.45 CC\C=C/CCCCCO D91715 [1,0,0,0,0,0|0,0,3]=4 38 B9R0.45 CNCCCCCCNC F17013 [1,0,0,0,0,0|3,0,0]=4 39 B9R0.45 COCCCCCCOC D90120 [1,0,0,0,0,0|3,0,0]=4 40 B9R0.45 ClCCCCCCCCCl O10360 [1,0,0,0,0,0|2,0,1]=4 41 B9R0.45 ICCCCCCCCI F19540 [1,0,0,0,0,0|2,0,1]=4 42 B9R0.45 NCCCCCCCCN F21311 [1,0,0,0,0,0|2,0,1]=4 43 B9R0.45 NCCCCCCCCO H11908 [1,0,0,0,0,0|1,0,1]=3 44 B9R0.45 OCCCCCCCCBr 54574 [1,0,0,0,0,0|1,0,1]=3 45 B9R0.45 OCCCCCCCCCl AC2187 [1,0,0,0,0,0|1,0,1]=3 46 B9R0.45 OCCCCCCCCO O12036 [1,0,0,0,0,0|1,0,1]=3 47 B9R0.45 SCCCCCCCCS D91866 [1,0,0,0,0,0|1,1,1]=4 48 B11R0.2 CCCCCC[C@H](C)OC(C)=O D92937 [0,1,0,0,0,0|2,0,0]=3 49 B11R0.30 CC(=O)NCCCCCC(=O)O D83405 [0,1,0,0,0,0|1,0,1]=3 50 B11R0.30 O=C(Cl)CCCCCCC(=O)Cl D92254 [0,1,0,0,0,0|2,0,1]=4 51 B11R0.30 O=C(O)CCCCCCC(=O)O AC7522 [0,1,0,0,0,0|1,0,1]=3 52 B11R0.40 C=CC(=O)OCCCCCCBr D93324 [0,1,0,0,0,0|3,0,0]=4 53 B11R0.40 CCCCCCC#CC(=O)OC D91742 [0,1,0,0,0,0|0,0,2]=3 54 B11R0.40 CCCCCCCCC(=O)OC D91668 [0,1,0,0,0,0|0,0,0]=1 55 B11R0.40 CCCCCCCC[C@@H](O)CC D92752 [0,1,0,0,0,0|1,0,1]=3 56 B11R0.40 CCCCCCCC[C@H](O)CO D90105 [0,1,0,0,0,0|0,0,2]=3 57 B11R0.40 CCCCCC\C=C\C(=O)OC D70493 [0,1,0,0,0,0|0,0,2]=3 58 B11R0.46 CCCCCN(C)CCC(=O)O D81790 [0,1,0,0,0,0|1,0,0]=2 59 B11R0.46 CCCCC[C@H](C)CCC(=O)O D70230 [0,1,0,0,0,0|0,0,0]=1 60 B11R0.46 CCCCOC(=O)CCC(C)=O D78070 [0,1,0,0,0,0|2,0,1]=4 61 B11R0.148 C=CCCCCCCCC(=O)O N12000 [0,1,0,0,0,0|0,0,1]=2 62 B11R0.148 C=CCCCCCCOC(C)=O D88443 [0,1,0,0,0,0|1,0,2]=4 63 B11R0.148 CC(C)CCCCCCCCO D93483 [0,1,0,0,0,0|2,0,1]=4 64 B11R0.148 CCCCCCCCCC(=O)O D70225 [0,1,0,0,0,0|0,0,0]=1 65 B11R0.148 CCCCCCCCCC(=O)[O-] F19532 [0,1,0,0,0,0|0,0,1]=2 66 B11R0.148 CCCCCCCCCC(C)=O F17694 [0,1,0,0,0,0|1,0,0]=2 67 B11R0.148 CCCCCCCCCC(C)C C11011 [0,1,0,0,0,0|2,0,1]=4 68 B11R0.148 CCCCCCCCCC(N)=O D89393 [0,1,0,0,0,0|1,0,0]=2 69 B11R0.148 CCCCCCCCC[13C](=O)O D78974 [0,1,0,0,0,0|0,0,0]=1 70 B11R0.148 CCCCCCCCC[C@H](C)O D92751 [0,1,0,0,0,0|1,0,1]=3 71 B11R0.148 CCCCCCCCOC(=O)Cl D89288 [0,1,0,0,0,0|1,0,0]=2 72 B11R0.148 CCCCC\C=C\CCC(=O)O D90291 [0,1,0,0,0,0|0,0,1]=2 73 B11R0.148 CCCCOCCOCC(=O)O W16397 [0,1,0,0,0,0|1,0,0]=2 74 B11R0.148 COCCOCCOCC(=O)O D95266 [0,1,0,0,0,0|2,0,0]=3 75 B11R0.148 NCCOCCOCCC(=O)O H11015 [0,1,0,0,0,0|2,0,0]=3 76 B11R0.148 O=C(O)CCCCCCCCBr 54506 [0,1,0,0,0,0|0,0,0]=1 77 B11R0.148 O=C(O)CCCCCCCCO 29995 [0,1,0,0,0,0|0,0,0]=1 78 B11R0.159 CCCCCCCCP(=O)(O)O H10451 [0,1,0,0,0,0|1,0,0]=2 79 B11R0.159 CCCCCCCCS(=O)(=O)Cl S11998 [0,1,0,0,0,0|1,0,1]=3 80 B11R0.159 CCCCCCCCS(=O)(=O)[O-] F10022 [0,1,0,0,0,0|1,0,1]=3 81 B11R0.159 CCCCCCCCS(=O)(=O)[O-] F10031 [0,1,0,0,0,0|1,0,1]=3 82 B11R0.159 CCCCCCCC[N+](C)(C)C D82026 [0,1,0,0,0,0|3,0,0]=4 83 B11R0.159 CCCCCCCC[N+](C)(C)C F15452 [0,1,0,0,0,0|3,0,0]=4 84 B11R0.159 CCCCCCCC[Si](C)(C)Cl D86378 [0,1,0,0,0,0|2,1,0]=4 85 B11R0.159 CCCCCCCC[Si](C)(Cl)Cl D91852 [0,1,0,0,0,0|2,1,0]=4 86 B11R0.159 CCCCCCCC[Si](Cl)(Cl)Cl D91823 [0,1,0,0,0,0|2,1,0]=4 87 B11R0.176 CCOC(=O)CCCCC(=O)O C11248 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.24 CCCC[C@H]1CCCC(=O)O1 D91705 [0,0,0,1,0,0|0,0,0]=1 89 B11R1.27 CCCCC[C@H]1CCC(=O)O1 D70273 [0,0,0,1,0,0|0,0,0]=1 90 B11R1.86 C[C@H]1CNCCN1CC(=O)O P19597 [0,0,0,1,0,0|2,0,0]=3 91 B11R1.86 O=C(O)CN1CCCCC1=O 30866 [0,0,0,1,0,0|2,0,1]=4 92 B11R1.90 O=C(O)CCN1CCCC1=O 20716 [0,0,0,1,0,0|2,0,1]=4 93 B11R1.91 O=C(O)CCC1CCCCC1 H10698 [0,0,0,1,0,0|0,0,0]=1 94 B11R1.91 O=C(O)CCC1CCNCC1 82923 [0,0,0,1,0,0|1,0,0]=2 95 B11R1.91 O=C(O)CCC1CCNCC1 82924 [0,0,0,1,0,0|1,0,0]=2 96 B11R1.91 O=C(O)CCN1CCCCC1 65244 [0,0,0,1,0,0|1,0,0]=2 97 B11R1.91 O=C(O)CCN1CCOCC1 F11750 [0,0,0,1,0,0|2,0,0]=3 98 B11R1.91 O=C(O)CCN1CCOCC1 F11751 [0,0,0,1,0,0|2,0,0]=3 99 B11R1.91 O=C(O)COC1CCCCC1 29839 [0,0,0,1,0,0|1,0,0]=2 100 B11R1.91 O=C(O)\C=C\C1CCCCC1 12218 [0,0,0,1,0,0|0,0,2]=3 101 B11R1.91 O=C([O-])CCN1CCOCC1 D82887 [0,0,0,1,0,0|2,0,1]=4 102 B11R1.742 O=C(O)CC1CCCCCC1 BL003152 [0,0,0,1,0,0|0,0,0]=1 103 B8R0.4 BrCCCCCCCBr H11758 [2,0,0,0,0,0|2,0,0]=4 104 B8R0.4 C#CCCCCCCO 85580 [2,0,0,0,0,0|0,0,2]=4 105 B8R0.4 C=CCCCCCCBr 78390 [2,0,0,0,0,0|1,0,1]=4 106 B8R0.4 C=CCCCCCCCl I11995 [2,0,0,0,0,0|1,0,1]=4 107 B8R0.4 CCCCCCCCCl D97411 [2,0,0,0,0,0|1,0,0]=3 108 B8R0.4 CCCCCCCCI W18672 [2,0,0,0,0,0|1,0,0]=3 109 B8R0.4 CCCCCCCCN D91873 [2,0,0,0,0,0|1,0,0]=3 110 B8R0.4 CCCCCCCCN D91878 [2,0,0,0,0,0|1,0,0]=3 111 B8R0.4 CCCCCCCNC D82019 [2,0,0,0,0,0|1,0,1]=4 112 B8R0.4 CCCCC\C=C\C=O D91827 [2,0,0,0,0,0|0,0,2]=4 113 B8R0.4 CCCCC\C=C\CO D91843 [2,0,0,0,0,0|0,0,2]=4 114 B8R0.4 CCCC[SnH4+2]CCCC D95293 [2,0,0,0,0,0|1,0,1]=4 115 B8R0.4 CCCC[SnH4+2]CCCC D95356 [2,0,0,0,0,0|1,0,1]=4 116 B8R0.4 CCOCCOCCO D72502 [2,0,0,0,0,0|2,0,0]=4 117 B8R0.4 NCCCCCCCN O11823 [2,0,0,0,0,0|2,0,0]=4 118 B8R0.4 OCCCCCCCBr 34162 [2,0,0,0,0,0|1,0,0]=3 119 B8R0.4 OCCCCCCCCl D97219 [2,0,0,0,0,0|1,0,0]=3 120 B8R0.4 OCCCCCCCO H10510 [2,0,0,0,0,0|1,0,0]=3 121 B8R0.4 OCCCNCCCO O10901 [2,0,0,0,0,0|2,0,0]=4 122 B8R0.7 C#CCCCCC(=O)O 76366 [2,0,0,0,0,0|0,0,2]=4 123 B8R0.7 C=CCCCCC(=O)O I11996 [2,0,0,0,0,0|0,0,2]=4 124 B8R0.7 CCCCCCB(O)O 33195 [2,0,0,0,0,0|1,0,1]=4 125 B8R0.7 CCCCCCC(=O)Cl A10863 [2,0,0,0,0,0|1,0,0]=3 126 B8R0.7 CCCCCCC(=O)[O-] D90422 [2,0,0,0,0,0|0,0,1]=3 127 B8R0.7 CCCCCCC(N)=O D93021 [2,0,0,0,0,0|1,0,0]=3 128 B8R0.7 CCCCCC[C@H](C)O AC1155 [2,0,0,0,0,0|1,0,1]=4 129 B8R0.7 CCCCCC[C@H](C)O D71187 [2,0,0,0,0,0|1,0,1]=4 130 B8R0.7 CCCCCC[C@H](C)O D81747 [2,0,0,0,0,0|1,0,1]=4 131 B8R0.7 CCCCCOC(=O)Cl D89273 [2,0,0,0,0,0|2,0,0]=4 132 B8R0.7 CCCCOCC(=O)O AC1559 [2,0,0,0,0,0|1,0,0]=3 133 B8R0.7 CCCC\C=C\C(=O)O D90864 [2,0,0,0,0,0|0,0,2]=4 134 B8R0.7 COCCOCC(=O)O D74540 [2,0,0,0,0,0|2,0,0]=4 135 B8R0.7 NC(=O)CCCCCBr 74914 [2,0,0,0,0,0|2,0,0]=4 136 B8R0.7 O=C(Cl)CCCCCBr D88888 [2,0,0,0,0,0|2,0,0]=4 137 B8R0.7 O=C(O)CCCCCBr F11242 [2,0,0,0,0,0|1,0,0]=3 138 B8R0.7 O=C(O)CCCCCCl D77823 [2,0,0,0,0,0|1,0,0]=3 139 B8R0.7 O=C(O)CCCCCO S10488 [2,0,0,0,0,0|1,0,0]=3 140 B8R0.7 O=C(O)CCNCCO D94998 [2,0,0,0,0,0|2,0,0]=4 141 B8R0.7 O=C([O-])CCCCCO Y10610 [2,0,0,0,0,0|1,0,1]=4 142 B10R0.3 CCCC(=O)CCCC(=O)O D93029 [1,1,0,0,0,0|0,0,1]=3 143 B10R0.3 CCC[C@H](S)CCOC(C)=O D91605 [1,1,0,0,0,0|2,0,0]=4 144 B10R0.3 CCOC(=O)CCCC(=O)O 73291 [1,1,0,0,0,0|1,0,1]=4 145 B10R0.22 CCCCCCCS(=O)(=O)[O-] F10019 [1,1,0,0,0,0|1,0,1]=4 146 B10R0.22 CCCCCCCS(=O)(=O)[O-] F10034 [1,1,0,0,0,0|1,0,1]=4 147 B10R0.55 COC(=O)CCCCC(=O)O O11605 [1,1,0,0,0,0|1,0,1]=4 148 B10R0.74 CCCCCC#CC(=O)OC D70492 [1,1,0,0,0,0|0,0,2]=4 149 B10R0.74 CCCCCCCC(=O)NN 23135 [1,1,0,0,0,0|1,0,0]=3 150 B10R0.74 CCCCCCCC(=O)NO 35665 [1,1,0,0,0,0|0,0,0]=2 151 B10R0.74 CCCCCCCC(=O)NO D89270 [1,1,0,0,0,0|0,0,0]=2 152 B10R0.74 COC(=O)CCCCCCBr F11980 [1,1,0,0,0,0|1,0,0]=3 153 B10R0.74 COC(=O)CCCCCCN 67874 [1,1,0,0,0,0|1,0,0]=3 154 B10R0.75 CCCCCC[C@H](N)C(=O)O C14122 [1,1,0,0,0,0|0,0,0]=2 155 B10R0.75 CCCCCC[C@H](N)C(=O)O D86759 [1,1,0,0,0,0|0,0,0]=2 156 B10R0.75 CCCCCC[C@H](N)C(=O)O S10911 [1,1,0,0,0,0|0,0,0]=2 157 B10R0.75 CCCCCC[C@H](O)C(=O)O D81442 [1,1,0,0,0,0|0,0,0]=2 158 B10R0.75 CNCCCC[C@H](N)C(=O)O F11031 [1,1,0,0,0,0|1,0,0]=3 159 B10R0.75 N[C@@H](CSCCCO)C(=O)O A11344 [1,1,0,0,0,0|2,0,0]=4 160 B10R0.75 O=C(O)C(=O)CCCCCCl D93207 [1,1,0,0,0,0|1,0,1]=4 161 B10R0.78 CCCC[C@H](C)CCC(=O)O D83868 [1,1,0,0,0,0|0,0,0]=2 162 B10R0.97 CC(=O)CCCCCC(=O)O W15940 [1,1,0,0,0,0|0,0,1]=3 163 B10R0.97 CC(C)CCCCCC(=O)O D93038 [1,1,0,0,0,0|0,0,0]=2 164 B10R0.97 O=C(O)CCCCCC(=O)O D70876 [1,1,0,0,0,0|1,0,1]=4 165 B10R0.1 CCOC(=O)CCCCC=O N10652 [1,1,0,0,0,0|1,0,1]=4 166 B10R0.71 BrCCCCCCCCCBr O10362 [1,1,0,0,0,0|1,0,1]=4 167 B10R0.71 C#CCCCCCCCCO F16255 [1,1,0,0,0,0|0,0,2]=4 168 B10R0.71 C=CCCCCCCCCBr 29297 [1,1,0,0,0,0|1,0,0]=3 169 B10R0.71 CCCCCCCCCCI D95272 [1,1,0,0,0,0|1,0,1]=4 170 B10R0.71 CCCCCCCCCCN C93407 [1,1,0,0,0,0|1,0,1]=4 171 B10R0.71 CCCCCCCCCCS D94658 [1,1,0,0,0,0|0,1,1]=4 172 B10R0.71 CCCCCCCCN=C=O D94691 [1,1,0,0,0,0|0,0,1]=3 173 B10R0.71 CCCCCCCCN=C=S D91876 [1,1,0,0,0,0|0,1,1]=4 174 B10R0.71 CCCCCCCCNC=O D91867 [1,1,0,0,0,0|0,0,0]=2 175 B10R0.71 CCCCCCC\C=C\C=O A11384 [1,1,0,0,0,0|0,0,1]=3 176 B10R0.71 CCCCC\C=C\CCCO D90033 [1,1,0,0,0,0|0,0,2]=4 177 B10R0.71 ClCCCCCCCCCCl 35145 [1,1,0,0,0,0|1,0,1]=4 178 B10R0.71 NCCCCCCCCCN F16023 [1,1,0,0,0,0|1,0,1]=4 179 B10R0.71 OCCCCCCCCCBr 54800 [1,1,0,0,0,0|0,0,1]=3 180 B10R0.71 OCCCCCCCCCCl D94653 [1,1,0,0,0,0|0,0,1]=3 181 B10R0.71 OCCCCCCCCCO F20315 [1,1,0,0,0,0|0,0,1]=3 182 B10R0.71 OCCCCNCCCCO A11650 [1,1,0,0,0,0|1,0,1]=4 183 B10R0.71 SCCCCCCCCCS D97848 [1,1,0,0,0,0|0,1,1]=4 184 B12R0.4 CCCCCCC[C@H](C)OC(C)=O D88435 [0,2,0,0,0,0|1,0,0]=3 185 B12R0.42 CC(=O)NCCCC[C@H](N)C(=O)O F10994 [0,2,0,0,0,0|1,0,1]=4 186 B12R0.42 N[C@@H](CCCCCC(=O)O)C(=O)O D88405 [0,2,0,0,0,0|1,0,1]=4 187 B12R0.184 COC(=O)CCCCCCC(=O)O 35897 [0,2,0,0,0,0|0,0,1]=3 188 B12R0.184 COC(=O)CCCCCOC(C)=O D88424 [0,2,0,0,0,0|1,0,1]=4 189 B12R0.1 CCCCCCCCC(=O)OCC D70268 [0,2,0,0,0,0|0,0,0]=2 190 B12R0.1 CCOC(=O)CCCCCCCBr 36210 [0,2,0,0,0,0|1,0,0]=3 191 B12R0.57 CCCCCCCCC(OC)OC D97662 [0,2,0,0,0,0|0,0,2]=4 192 B12R0.183 COC(=O)CCCCCC(=O)OC S12124 [0,2,0,0,0,0|1,0,1]=4 193 B12R0.248 C=CCCCCCCCC(=O)OC A11197 [0,2,0,0,0,0|0,0,1]=3 194 B12R0.248 CCCCCCCCOC(=O)CN C10282 [0,2,0,0,0,0|1,0,0]=3 195 B12R0.248 CCCCCCCCOC(=O)CS D92371 [0,2,0,0,0,0|0,1,0]=3 196 B12R0.248 COC(=O)CCCCCCCCO S10650 [0,2,0,0,0,0|0,0,0]=2 197 B12R0.251 CCCCCCCC[C@H](N)C(=O)O 73329 [0,2,0,0,0,0|0,0,0]=2 198 B12R0.255 O=C(O)CCC(=O)OCCCCO D93505 [0,2,0,0,0,0|1,0,1]=4 199 B12R0.277 CCOC(=O)CCCCCC(=O)O H11366 [0,2,0,0,0,0|0,0,1]=3 200 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] F10021 [0,2,0,0,0,0|1,0,1]=4 201 B12R0.234 C#CCCCCCCCCC(=O)O AT18751 [0,2,0,0,0,0|0,0,0]=2 202 B12R0.234 C=CCCCCCCCCC(=O)O P19683 [0,2,0,0,0,0|0,0,0]=2 203 B12R0.234 CCCCCCCCCCB(O)O I10259 [0,2,0,0,0,0|1,0,1]=4 204 B12R0.234 CCCCCCCCCCC(=O)Cl D92750 [0,2,0,0,0,0|1,0,0]=3 205 B12R0.234 CCCCCCCCCCC(=O)O P19940 [0,2,0,0,0,0|0,0,0]=2 206 B12R0.234 CCCCCCCCCCC(C)=O D89937 [0,2,0,0,0,0|1,0,0]=3 207 B12R0.234 CCCCCCCCCC[C@H](C)O D90139 [0,2,0,0,0,0|1,0,1]=4 208 B12R0.234 CCCCCCCCCOC(=O)Cl D88620 [0,2,0,0,0,0|1,0,0]=3 209 B12R0.234 CCCCCCCCOCC(=O)O D82573 [0,2,0,0,0,0|0,0,0]=2 210 B12R0.234 CCCCCCCC\C=C\C(=O)O 22839 [0,2,0,0,0,0|0,0,0]=2 211 B12R0.234 NCCCCCCCCCC(=O)O C72238 [0,2,0,0,0,0|0,0,0]=2 212 B12R0.234 O=C(O)CCCCCCCCCBr AC1279 [0,2,0,0,0,0|0,0,0]=2 213 B12R0.234 O=C(O)CCCCCCCCCO 36747 [0,2,0,0,0,0|0,0,0]=2 214 B12R0.268 O=C(O)CCCCCCCC(=O)O D70171 [0,2,0,0,0,0|0,0,1]=3 215 B10R1.10 CCC[C@H]1CCCC(=O)O1 D70795 [1,0,0,1,0,0|0,0,0]=2 216 B10R1.18 NC(=O)NC1CCCCC1 AC9450 [1,0,0,1,0,0|2,0,0]=4 217 B10R1.18 O=C(O)C=C1CCCCC1 A51178 [1,0,0,1,0,0|0,0,2]=4 218 B10R1.18 O=C(O)CC1=CCCCC1 D70526 [1,0,0,1,0,0|0,0,2]=4 219 B10R1.18 O=C(O)CC1CCCCC1 F11130 [1,0,0,1,0,0|0,0,0]=2 220 B10R1.18 O=C(O)CC1CCNCC1 65126 [1,0,0,1,0,0|1,0,0]=3 221 B10R1.18 O=C(O)CC1CCOCC1 69697 [1,0,0,1,0,0|1,0,0]=3 222 B10R1.18 O=C(O)CN1CCCCC1 29815 [1,0,0,1,0,0|1,0,0]=3 223 B10R1.18 O=C(O)CN1CCCCC1 D83454 [1,0,0,1,0,0|1,0,0]=3 224 B10R1.18 O=C(O)CN1CCCCC1 D97813 [1,0,0,1,0,0|1,0,0]=3 225 B10R1.18 O=C(O)CN1CCNCC1 12475 [1,0,0,1,0,0|2,0,0]=4 226 B10R1.18 O=C(O)CN1CCNCC1 D80298 [1,0,0,1,0,0|2,0,0]=4 227 B10R1.18 O=C(O)CN1CCNCC1 R10048 [1,0,0,1,0,0|2,0,0]=4 228 B10R1.18 O=C(O)CN1CCOCC1 64300 [1,0,0,1,0,0|2,0,0]=4 229 B10R1.18 O=C(O)CN1CCOCC1 AR3068 [1,0,0,1,0,0|2,0,0]=4 230 B10R1.18 O=C(O)C[C@H]1CCCCO1 AC1470 [1,0,0,1,0,0|1,0,0]=3 231 B10R1.18 O=C(O)C[C@H]1CCCNC1 23614 [1,0,0,1,0,0|1,0,0]=3 232 B10R1.18 O=C(O)C[C@H]1CCCNC1 30799 [1,0,0,1,0,0|1,0,0]=3 233 B10R1.18 O=C(O)C[C@H]1CNCCO1 56223 [1,0,0,1,0,0|2,0,0]=4 234 B10R1.39 CCN1CCC[C@H]1C(N)=O D90520 [1,0,0,1,0,0|2,0,0]=4 235 B10R1.61 CC1NCCCC1C(=O)O C71830 [1,0,0,1,0,0|1,0,0]=3 236 B10R1.61 CN1CCCC[C@H]1C(=O)O 71306 [1,0,0,1,0,0|1,0,0]=3 237 B10R1.61 CN1CCCC[C@H]1C(=O)O W10205 [1,0,0,1,0,0|1,0,0]=3 238 B10R1.61 O=C(O)C1CCCCC1O 26766 [1,0,0,1,0,0|1,0,0]=3 239 B10R1.66 O=C(Cl)CCC1CCCC1 FD10555 [1,0,0,1,0,0|1,0,0]=3 240 B10R1.66 O=C(O)CCC1CCCC1 73318 [1,0,0,1,0,0|0,0,0]=2 241 B10R1.66 O=C(O)CCC1OCCO1 25876 [1,0,0,1,0,0|2,0,0]=4 242 B10R1.66 O=C(O)CCN1CCCC1 71482 [1,0,0,1,0,0|1,0,0]=3 243 B10R1.66 O=C(O)COC1CCCC1 30678 [1,0,0,1,0,0|1,0,0]=3 244 B10R1.66 O=C(O)\C=C\C1CCCC1 W11636 [1,0,0,1,0,0|0,0,2]=4 245 B10R1.86 CCCN1CC[C@H]1C(=O)O P15802 [1,0,0,1,0,0|1,0,0]=3 246 B10R1.126 O=C(O)CCCCC1CC1 D84271 [1,0,0,1,0,0|0,0,0]=2 247 B10R1.348 O=C(O)C1CCCCCC1 O11712 [1,0,0,1,0,0|0,0,0]=2 248 B10R1.348 O=C(O)[C@@H]1CNCCCO1 31447 [1,0,0,1,0,0|2,0,0]=4 249 B10R1.348 O=C(O)[C@H]1CCCNCC1 37184 [1,0,0,1,0,0|1,0,0]=3 250 B10R1.4 C=CC[C@H]1CCCCC1=O 51110 [1,0,0,1,0,0|0,0,2]=4 251 B10R1.4 CCC[C@H]1CCCCC1=O D92072 [1,0,0,1,0,0|0,0,0]=2 252 B10R1.4 NCCN1CCCCC1=O D93343 [1,0,0,1,0,0|2,0,0]=4 253 B10R1.5 COC[C@H]1CCCN1C=O T71644 [1,0,0,1,0,0|2,0,0]=4 254 B10R1.7 O[C@H]1CCCCCC[C@H]1O D81840 [1,0,0,1,0,0|1,0,1]=4 255 B10R1.17 C#CCCC1CCCCC1 59502 [1,0,0,1,0,0|1,0,1]=4 256 B10R1.17 NCCCC1CCCCC1 N10393 [1,0,0,1,0,0|1,0,1]=4 257 B10R1.17 OCCCC1CCCCC1 A10410 [1,0,0,1,0,0|0,0,1]=3 258 B10R1.17 OCCCC1CCNCC1 65242 [1,0,0,1,0,0|1,0,1]=4 259 B10R1.17 OCCCN1CCCCC1 A10134 [1,0,0,1,0,0|1,0,1]=4 260 B10R1.17 OCCNC1CCCCC1 D95373 [1,0,0,1,0,0|1,0,1]=4 261 B10R1.17 OCCOC1CCCCC1 AC7544 [1,0,0,1,0,0|1,0,1]=4 262 B10R1.20 OCC1CCCCC1CO F11582 [1,0,0,1,0,0|1,0,1]=4 263 B10R1.20 OC[C@H]1CCCC[C@@H]1CO 70699 [1,0,0,1,0,0|1,0,1]=4 264 B10R1.20 OC[C@H]1CCCC[C@@H]1CO 70725 [1,0,0,1,0,0|1,0,1]=4 265 B10R1.20 OC[C@H]1CCCC[C@@H]1CO T70670 [1,0,0,1,0,0|1,0,1]=4 266 B10R1.20 OC[C@H]1CCCC[C@H]1CO O11710 [1,0,0,1,0,0|1,0,1]=4 267 B10R1.29 CCCCN1CCCC1=O 56158 [1,0,0,1,0,0|1,0,0]=3 268 B10R1.29 NCCCN1CCCC1=O C16349 [1,0,0,1,0,0|2,0,0]=4 269 B10R1.29 O=C1CCCN1CCCO D87262 [1,0,0,1,0,0|2,0,0]=4 270 B10R1.85 OCCN1CCCCCC1 C10805 [1,0,0,1,0,0|1,0,1]=4 271 B12R1.7 CCCCCC[C@H]1CCC(=O)O1 D70097 [0,1,0,1,0,0|0,0,0]=2 272 B12R1.107 N[C@@H](CC(=O)O)C1CCCCC1 71344 [0,1,0,1,0,0|0,0,0]=2 273 B12R1.107 N[C@@H](CC(=O)O)C1CCCCC1 F14494 [0,1,0,1,0,0|0,0,0]=2 274 B12R1.261 CC(=O)N1CCCC[C@H]1C(=O)O 71828 [0,1,0,1,0,0|1,0,1]=4 275 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O 70698 [0,1,0,1,0,0|1,0,1]=4 276 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O 70702 [0,1,0,1,0,0|1,0,1]=4 277 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O F16347 [0,1,0,1,0,0|1,0,1]=4 278 B12R1.261 O=C(O)[C@H]1CCCC[C@H]1C(=O)O D70598 [0,1,0,1,0,0|1,0,1]=4 279 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)O 62904 [0,1,0,1,0,0|1,0,0]=3 280 B12R1.1 CCCCCC1CCC(=O)CC1 F16593 [0,1,0,1,0,0|1,0,0]=3 281 B12R1.1 CCCCCC1CCC(O)CC1 D71237 [0,1,0,1,0,0|1,0,1]=4 282 B12R1.27 COC(=O)CCN1CCOCC1 VT1309 [0,1,0,1,0,0|2,0,0]=4 283 B12R1.27 O=C(CCl)NCC1CCCCC1 D93436 [0,1,0,1,0,0|2,0,0]=4 284 B12R1.365 COC(=O)[C@@H]1CCCCCC1=O 63241 [0,1,0,1,0,0|1,0,1]=4 285 B12R1.477 COC(=O)CCNC1CCCC1 24505 [0,1,0,1,0,0|1,0,0]=3 286 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O 59466 [0,1,0,1,0,0|0,0,0]=2 287 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O 59467 [0,1,0,1,0,0|0,0,0]=2 288 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O A50362 [0,1,0,1,0,0|0,0,0]=2 289 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O D75773 [0,1,0,1,0,0|0,0,0]=2 290 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O F14510 [0,1,0,1,0,0|0,0,0]=2 291 B12R1.43 O=C(O)C(=O)NC1CCCCC1 W18567 [0,1,0,1,0,0|1,0,1]=4 292 B12R1.21 CN1CCN(CCC(=O)O)CC1 29066 [0,1,0,1,0,0|2,0,0]=4 293 B12R1.21 CN1CCN(CCC(=O)O)CC1 71719 [0,1,0,1,0,0|2,0,0]=4 294 B12R1.252 O=C(O)CCCC1CCCCC1 F16379 [0,1,0,1,0,0|0,0,0]=2 295 B12R1.252 O=C(O)CCCC1CCNCC1 65108 [0,1,0,1,0,0|0,0,0]=2 296 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 AC2158 [0,1,0,1,0,0|0,0,0]=2 297 B12R1.255 NC(=O)CCCC[C@H]1CCSS1 D92402 [0,1,0,1,0,0|2,0,0]=4 298 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 23162 [0,1,0,1,0,0|1,0,0]=3 299 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 42222 [0,1,0,1,0,0|1,0,0]=3 300 B12R2.24 O=C1CCC2CCCCC2O1 D73280 [0,0,0,2,0,0|0,0,0]=2 301 B12R2.24 OC1CCC2CCCCC2C1 D89972 [0,0,0,2,0,0|1,0,1]=4 302 B12R2.375 CO[C@H]1OC[C@@H]2OC(=O)C[C@H]12 D82569 [0,0,0,2,0,0|2,0,0]=4 303 B12R2.2918 O=C1CC2(CCCCC2)CN1 AC1536 [0,0,0,2,0,0|2,0,0]=4 304 B12R2.2918 O=C1CCC2(CCCCC2)O1 A10840 [0,0,0,2,0,0|0,0,0]=2 305 B12R2.2918 O=C1CCC2(CCNCC2)O1 27179 [0,0,0,2,0,0|1,0,0]=3 306 B12R2.2918 O=C1COC2(CCCCC2)O1 D92055 [0,0,0,2,0,0|1,0,0]=3 307 B12R2.2028 O=C1OC(=O)C2CCCCC12 D70901 [0,0,0,2,0,0|1,0,1]=4 308 B12R2.2028 O=C1OC(=O)[C@H]2CCCC[C@H]12 D89440 [0,0,0,2,0,0|1,0,1]=4 309 B12R2.1661 O=C(O)CN1CC2CCC1C2 F15025 [0,0,0,2,0,0|1,0,0]=3 310 B12R2.1154 CN1C2CCCC1CC(=O)C2 28924 [0,0,0,2,0,0|2,0,0]=4 311 B12R2.250 O=C(O)[C@H]1CC12CCCCC2 D78984 [0,0,0,2,0,0|0,0,0]=2