0 B7R0.4 C#CCCCC(=O)O F14123 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 C=CCCCC(=O)O D86337 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 C=CCCOC(C)=O 74074 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.4 CC(=O)CCCC#N D91224 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.4 CC(=O)CCCCCl D89394 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.4 CC(=O)OCCCCl 22019 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.4 CC(=O)SCCCO D86667 [0,0,0,0,0,0|1,1,0]=2 7 B7R0.4 CC(C)CCCCO D94723 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.4 CC(C)NCCCO H11834 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.4 CCCCCB(O)O 33673 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.4 CCCCCC(=O)[O-] D82015 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.4 CCCCCC(N)=O D89187 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.4 CCCCC[C@H](C)N D90921 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.4 CCCCC[C@H](C)O D83253 [0,0,0,0,0,0|1,0,2]=3 14 B7R0.4 CCCCNC(N)=O D88864 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.4 CCCCNC(N)=S T70321 [0,0,0,0,0,0|2,1,0]=3 16 B7R0.4 CCCCOC(=S)[S-] D82014 [0,0,0,0,0,0|1,1,0]=2 17 B7R0.4 CCCCOC(C)C D93400 [0,0,0,0,0,0|1,0,1]=2 18 B7R0.4 CCCCOC(N)=O D89279 [0,0,0,0,0,0|1,0,0]=1 19 B7R0.4 CCCCSC(C)=O 79049 [0,0,0,0,0,0|0,1,0]=1 20 B7R0.4 CCC\C=C\C(=O)O C10700 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.4 CCC\C=C\C(C)=O F17581 [0,0,0,0,0,0|1,0,1]=2 22 B7R0.4 CCO\C=C\C(=O)O 30211 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.4 CC\C=C\CC(=O)O D82088 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.4 CN(C)CCCCN 76925 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.4 CNCCCC(=O)O 20515 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.4 CNCCCC(=O)O AB7427 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.4 CNCCCN(C)C D94649 [0,0,0,0,0,0|4,0,0]=4 28 B7R0.4 N#CCCCC(=O)O RB3314 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.4 NC(=O)COCCCl F15040 [0,0,0,0,0,0|4,0,0]=4 30 B7R0.4 NCCCCC(=O)O 76219 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.4 NCCCCC(=O)O D78140 [0,0,0,0,0,0|3,0,0]=3 32 B7R0.4 NCCOCC(=O)O AT23391 [0,0,0,0,0,0|4,0,0]=4 33 B7R0.4 O=C(Cl)CCCCBr H11319 [0,0,0,0,0,0|3,0,0]=3 34 B7R0.4 O=C(Cl)CCCCCl D89459 [0,0,0,0,0,0|3,0,0]=3 35 B7R0.4 O=C(Cl)OCCCCl D89474 [0,0,0,0,0,0|2,0,0]=2 36 B7R0.4 O=C(O)CCCCBr 76255 [0,0,0,0,0,0|3,0,0]=3 37 B7R0.4 O=C(O)CCCCCl C10667 [0,0,0,0,0,0|3,0,0]=3 38 B7R0.4 O=C(O)CNCCO AB10154 [0,0,0,0,0,0|4,0,0]=4 39 B7R0.4 O=C(O)COCCCl 29961 [0,0,0,0,0,0|4,0,0]=4 40 B7R0.4 O=C([O-])CCCCO F13839 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.4 C#CCCC(=O)O 90045 [1,0,0,0,0,0|1,0,2]=4 42 B6R0.4 C#CCOC(C)=O 36884 [1,0,0,0,0,0|0,0,2]=3 43 B6R0.4 C=C(C)CNCC D95542 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.4 C=CCCC(=O)O O12040 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.4 C=CCOC(=O)Cl D87847 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.4 C=CCOC(N)=O D97550 [1,0,0,0,0,0|1,0,2]=4 47 B6R0.4 CC(=O)CCCCl D77754 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.4 CC(=O)CCCO 24602 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.4 CC(=O)NCCN D70867 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.4 CC(=O)NCCO FD10637 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.4 CC(=O)NCCS AT13754 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.4 CC(=O)OCCBr C10198 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.4 CC(=O)OCCCl D88201 [1,0,0,0,0,0|1,0,0]=2 54 B6R0.4 CC(=O)OCCO D88371 [1,0,0,0,0,0|1,0,0]=2 55 B6R0.4 CC(C)=CCCBr F19983 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.4 CC(C)CCCBr O10389 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.4 CC(C)CCCO F20439 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.4 CCC#CC(=O)O D84135 [1,0,0,0,0,0|1,0,2]=4 59 B6R0.4 CCCCB(O)O 33151 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.4 CCCCC(=N)N 31933 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.4 CCCCC(=N)N W16181 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.4 CCCCC(=O)[O-] F16484 [1,0,0,0,0,0|1,0,0]=2 63 B6R0.4 CCCCC(N)=O A10835 [1,0,0,0,0,0|1,0,0]=2 64 B6R0.4 CCCNC(C)=O D97464 [1,0,0,0,0,0|1,0,0]=2 65 B6R0.4 CCCNC(N)=S D86341 [1,0,0,0,0,0|2,1,0]=4 66 B6R0.4 CCCOC(=S)[S-] D91970 [1,0,0,0,0,0|1,1,0]=3 67 B6R0.4 CCCOC(N)=O F16337 [1,0,0,0,0,0|1,0,0]=2 68 B6R0.4 CCCSC(C)=O D92148 [1,0,0,0,0,0|0,1,0]=2 69 B6R0.4 CCOCC(C)C D93520 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.4 CCSCC(=O)O D95699 [1,0,0,0,0,0|2,0,0]=3 71 B6R0.4 CC\C=C\C(=O)O D72497 [1,0,0,0,0,0|1,0,2]=4 72 B6R0.4 CC\C=C\C(=O)O P17755 [1,0,0,0,0,0|1,0,2]=4 73 B6R0.4 CN(C)CCCBr 25428 [1,0,0,0,0,0|3,0,0]=4 74 B6R0.4 CN(C)CCCCl 23626 [1,0,0,0,0,0|3,0,0]=4 75 B6R0.4 CN(C)CCCCl AC7814 [1,0,0,0,0,0|3,0,0]=4 76 B6R0.4 CN(C)CCCS D93440 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.4 CNCCC(=O)O 29150 [1,0,0,0,0,0|2,0,0]=3 78 B6R0.4 CNCCC(=O)O C76064 [1,0,0,0,0,0|2,0,0]=3 79 B6R0.4 CNCCN(C)C 20029 [1,0,0,0,0,0|3,0,0]=4 80 B6R0.4 CNCCN(C)C 24589 [1,0,0,0,0,0|3,0,0]=4 81 B6R0.4 COCCC(=N)N W16180 [1,0,0,0,0,0|3,0,0]=4 82 B6R0.4 COCCC(=O)O F14687 [1,0,0,0,0,0|2,0,0]=3 83 B6R0.4 COCCN(C)C A11162 [1,0,0,0,0,0|3,0,0]=4 84 B6R0.4 CO\C=C\C(C)=O D78013 [1,0,0,0,0,0|1,0,2]=4 85 B6R0.4 CO\C=C\C(C)=O F50213 [1,0,0,0,0,0|1,0,2]=4 86 B6R0.4 CSCCC(=O)O D87669 [1,0,0,0,0,0|2,0,0]=3 87 B6R0.4 CSCCC(C)=O D91573 [1,0,0,0,0,0|1,0,0]=2 88 B6R0.4 CSCOC(C)=O D88428 [1,0,0,0,0,0|1,0,0]=2 89 B6R0.4 C[C@H](Br)CCCBr F14613 [1,0,0,0,0,0|2,0,1]=4 90 B6R0.4 C[C@H](O)CCCO 22874 [1,0,0,0,0,0|1,0,2]=4 91 B6R0.4 C\C=C\CC(=O)O D92067 [1,0,0,0,0,0|1,0,2]=4 92 B6R0.4 N#CCCC(=O)O 81998 [1,0,0,0,0,0|2,0,1]=4 93 B6R0.4 NC(=O)NCCO C10765 [1,0,0,0,0,0|3,0,0]=4 94 B6R0.4 NCCCC(=O)O D70585 [1,0,0,0,0,0|2,0,0]=3 95 B6R0.4 NCCNC(N)=O D83060 [1,0,0,0,0,0|3,0,0]=4 96 B6R0.4 O=C(Cl)CCCBr P19996 [1,0,0,0,0,0|2,0,0]=3 97 B6R0.4 O=C(Cl)OCCCl AT19702 [1,0,0,0,0,0|2,0,0]=3 98 B6R0.4 O=C(O)CCCBr 20498 [1,0,0,0,0,0|2,0,0]=3 99 B6R0.4 O=C(O)CCCCl F19286 [1,0,0,0,0,0|2,0,0]=3 100 B6R0.4 O=C(O)CCCS F20547 [1,0,0,0,0,0|2,0,0]=3 101 B6R0.6 C=CCCCCBr F14895 [1,0,0,0,0,0|2,0,1]=4 102 B6R0.6 C=CCCCCCl N11935 [1,0,0,0,0,0|2,0,1]=4 103 B6R0.6 C=CCCCCO 35574 [1,0,0,0,0,0|2,0,1]=4 104 B6R0.6 C=COCCCN 75654 [1,0,0,0,0,0|1,0,1]=3 105 B6R0.6 CCCC=CC=O D78252 [1,0,0,0,0,0|1,0,1]=3 106 B6R0.6 CCCCCCI F20355 [1,0,0,0,0,0|2,0,1]=4 107 B6R0.6 CCCCCCN F19564 [1,0,0,0,0,0|2,0,1]=4 108 B6R0.6 CCCCCNC D91584 [1,0,0,0,0,0|2,0,0]=3 109 B6R0.6 CCCCN=C=S D91107 [1,0,0,0,0,0|1,1,1]=4 110 B6R0.6 CCCNCCC D89745 [1,0,0,0,0,0|2,0,1]=4 111 B6R0.6 CCNCCCN D82016 [1,0,0,0,0,0|2,0,1]=4 112 B6R0.6 CCNCCCO 31655 [1,0,0,0,0,0|2,0,1]=4 113 B6R0.6 CCNCCOC H11999 [1,0,0,0,0,0|2,0,1]=4 114 B6R0.6 CCOCCCCl D95770 [1,0,0,0,0,0|1,0,1]=3 115 B6R0.6 CCOCCCO D95933 [1,0,0,0,0,0|1,0,1]=3 116 B6R0.6 CNCCCCO F10210 [1,0,0,0,0,0|3,0,0]=4 117 B6R0.6 COCCCCBr F13727 [1,0,0,0,0,0|3,0,0]=4 118 B6R0.6 COCCCCCl 28715 [1,0,0,0,0,0|3,0,0]=4 119 B6R0.6 COCCCCO D78159 [1,0,0,0,0,0|3,0,0]=4 120 B6R0.6 COCCOCCl H11303 [1,0,0,0,0,0|2,0,1]=4 121 B6R0.6 C[NH2+]CCC[NH2+]C D90229 [1,0,0,0,0,0|3,0,0]=4 122 B6R0.6 O=C=NCCCCl D89529 [1,0,0,0,0,0|2,0,1]=4 123 B6R0.6 O=CCCCCCl C10094 [1,0,0,0,0,0|2,0,0]=3 124 B6R0.6 O=CCCCCO F19841 [1,0,0,0,0,0|2,0,0]=3 125 B8R0.5 CCOC(=O)NC(C)=O W18296 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.5 CCS[C@@H](C)CC(=O)O D80779 [0,1,0,0,0,0|3,0,0]=4 127 B8R0.6 C#CCCCC(=O)OC C90747 [0,1,0,0,0,0|1,0,2]=4 128 B8R0.6 C=CC(=O)CCCCC D71008 [0,1,0,0,0,0|1,0,1]=3 129 B8R0.6 C=CC(=O)NCCCC D82024 [0,1,0,0,0,0|1,0,1]=3 130 B8R0.6 C=CC(=O)OCCC#N D83890 [0,1,0,0,0,0|1,0,2]=4 131 B8R0.6 C=CCCCC(=O)OC H11902 [0,1,0,0,0,0|1,0,2]=4 132 B8R0.6 CCCCC[C@@H](O)CC D78240 [0,1,0,0,0,0|1,0,2]=4 133 B8R0.6 CCCCNC(=O)CC D88679 [0,1,0,0,0,0|1,0,0]=2 134 B8R0.6 CCCCNC(=O)CCl 23765 [0,1,0,0,0,0|1,0,0]=2 135 B8R0.6 CCCCOC(=O)CN F52077 [0,1,0,0,0,0|0,0,0]=1 136 B8R0.6 CCCCOC(=O)CO D70201 [0,1,0,0,0,0|0,0,0]=1 137 B8R0.6 CCC\C=C\C(=O)OC 28979 [0,1,0,0,0,0|1,0,1]=3 138 B8R0.6 CCC\C=C\C(=O)OC AC7684 [0,1,0,0,0,0|1,0,1]=3 139 B8R0.6 CCNCCC(=O)OC 31591 [0,1,0,0,0,0|2,0,0]=3 140 B8R0.6 CC\C=C\CC(=O)OC D93382 [0,1,0,0,0,0|1,0,2]=4 141 B8R0.6 CNCCCC(=O)OC AB9747 [0,1,0,0,0,0|2,0,0]=3 142 B8R0.6 COC(=O)CCCC#N 32622 [0,1,0,0,0,0|2,0,1]=4 143 B8R0.6 COC(=O)CCCCBr 76669 [0,1,0,0,0,0|2,0,0]=3 144 B8R0.6 COC(=O)CCCCCl D75917 [0,1,0,0,0,0|2,0,0]=3 145 B8R0.6 COC(=O)CCCCN 76218 [0,1,0,0,0,0|2,0,0]=3 146 B8R0.6 COC(=O)COCCCl 39408 [0,1,0,0,0,0|3,0,0]=4 147 B8R0.6 COCCCC(=O)OC F14920 [0,1,0,0,0,0|2,0,0]=3 148 B8R0.7 C#CCCCCC(=O)O 76366 [0,1,0,0,0,0|2,0,1]=4 149 B8R0.7 C=CCCCCC(=O)O I11996 [0,1,0,0,0,0|2,0,1]=4 150 B8R0.7 CC(=O)OCCCCBr F16811 [0,1,0,0,0,0|0,0,0]=1 151 B8R0.7 CC(=O)OCCCCCl H10679 [0,1,0,0,0,0|0,0,0]=1 152 B8R0.7 CC(C)CCCCCO A10851 [0,1,0,0,0,0|2,0,1]=4 153 B8R0.7 CC(C)NCCCCO F10470 [0,1,0,0,0,0|2,0,1]=4 154 B8R0.7 CCCCCCC(=O)Cl A10863 [0,1,0,0,0,0|2,0,0]=3 155 B8R0.7 CCCCCCC(=O)[O-] D90422 [0,1,0,0,0,0|2,0,0]=3 156 B8R0.7 CCCCCCC(N)=O D93021 [0,1,0,0,0,0|2,0,0]=3 157 B8R0.7 CCCCCC[C@H](C)Br F21283 [0,1,0,0,0,0|2,0,1]=4 158 B8R0.7 CCCCCC[C@H](C)O AC1155 [0,1,0,0,0,0|1,0,2]=4 159 B8R0.7 CCCCCC[C@H](C)O D71187 [0,1,0,0,0,0|1,0,2]=4 160 B8R0.7 CCCCCC[C@H](C)O D81747 [0,1,0,0,0,0|1,0,2]=4 161 B8R0.7 CCCCCOC(=O)Cl D89273 [0,1,0,0,0,0|1,0,0]=2 162 B8R0.7 CCCCCOC(=S)[S-] D88265 [0,1,0,0,0,0|1,1,0]=3 163 B8R0.7 CCCCOCC(=O)O AC1559 [0,1,0,0,0,0|1,0,0]=2 164 B8R0.7 CCCC\C=C\C(=O)O D90864 [0,1,0,0,0,0|2,0,0]=3 165 B8R0.7 CCNCCCN(C)C 31761 [0,1,0,0,0,0|3,0,0]=4 166 B8R0.7 COCCOCC(=O)O D74540 [0,1,0,0,0,0|2,0,0]=3 167 B8R0.7 CSCCCOC(C)=O D91595 [0,1,0,0,0,0|0,0,0]=1 168 B8R0.7 N=C(N)NCCCCN 41225 [0,1,0,0,0,0|3,0,0]=4 169 B8R0.7 N=C(N)NCCCCN 52136 [0,1,0,0,0,0|3,0,0]=4 170 B8R0.7 N=C(N)NCCCCN C10463 [0,1,0,0,0,0|3,0,0]=4 171 B8R0.7 NC(=O)CCCCCBr 74914 [0,1,0,0,0,0|2,0,0]=3 172 B8R0.7 NCCNCCC(=O)[O-] F16459 [0,1,0,0,0,0|3,0,0]=4 173 B8R0.7 O=C(Cl)CCCCCBr D88888 [0,1,0,0,0,0|2,0,0]=3 174 B8R0.7 O=C(O)CCCCCBr F11242 [0,1,0,0,0,0|2,0,0]=3 175 B8R0.7 O=C(O)CCCCCCl D77823 [0,1,0,0,0,0|2,0,0]=3 176 B8R0.7 O=C(O)CCCCCO S10488 [0,1,0,0,0,0|2,0,0]=3 177 B8R0.7 O=C(O)CCNCCO D94998 [0,1,0,0,0,0|3,0,0]=4 178 B8R0.7 O=C([O-])CCCCCO Y10610 [0,1,0,0,0,0|2,0,0]=3 179 B8R0.8 CCCCC(=O)C(C)C D91376 [0,1,0,0,0,0|2,0,1]=4 180 B8R0.8 CCCC[C@H](Br)C(=O)O H11951 [0,1,0,0,0,0|2,0,0]=3 181 B8R0.8 CCCC[C@H](C)C(=O)O D91409 [0,1,0,0,0,0|2,0,0]=3 182 B8R0.8 CCCC[C@H](N)C(=O)O 73275 [0,1,0,0,0,0|2,0,0]=3 183 B8R0.8 CCCC[C@H](N)C(=O)O FD3031 [0,1,0,0,0,0|2,0,0]=3 184 B8R0.8 CCCC[C@H](N)C(=O)O FD3085 [0,1,0,0,0,0|2,0,0]=3 185 B8R0.8 CCC\C=C(/C)C(=O)[O-] D87851 [0,1,0,0,0,0|2,0,1]=4 186 B8R0.8 CSCCC(O)C(=O)[O-] A51087 [0,1,0,0,0,0|3,0,0]=4 187 B8R0.8 CSCC[C@H](N)C(=O)O 30742 [0,1,0,0,0,0|3,0,0]=4 188 B8R0.8 CSCC[C@H](N)C(=O)O D70895 [0,1,0,0,0,0|3,0,0]=4 189 B8R0.8 CSCC[C@H](N)C(=O)O D72471 [0,1,0,0,0,0|3,0,0]=4 190 B8R0.8 CSCC[C@H](N)C(=O)[O-] D70450 [0,1,0,0,0,0|3,0,0]=4 191 B8R0.8 CSCC[C@H](N)C(N)=O F10669 [0,1,0,0,0,0|3,0,0]=4 192 B8R0.8 CSCC[C@H](O)C(=O)O H11809 [0,1,0,0,0,0|3,0,0]=4 193 B8R0.8 C[Se]CC[C@H](N)C(=O)O D92258 [0,1,0,0,0,0|3,0,0]=4 194 B8R0.8 NCCC[C@H](N)C(=O)O 28202 [0,1,0,0,0,0|3,0,0]=4 195 B8R0.8 NCCC[C@H](N)C(=O)O 28697 [0,1,0,0,0,0|3,0,0]=4 196 B8R0.8 NCCC[C@H](N)C(=O)O AC1496 [0,1,0,0,0,0|3,0,0]=4 197 B8R0.8 NCCC[C@H](N)C(=O)O D70545 [0,1,0,0,0,0|3,0,0]=4 198 B8R0.8 NCCC[C@H](N)C(=O)O D91796 [0,1,0,0,0,0|3,0,0]=4 199 B8R0.8 NCCC[C@H](N)C(=O)O F17224 [0,1,0,0,0,0|3,0,0]=4 200 B8R0.9 CC(=O)OCC(=O)CCl D88398 [0,1,0,0,0,0|1,0,1]=3 201 B8R0.9 CC(=O)OC[C@H](C)CBr AB6423 [0,1,0,0,0,0|1,0,0]=2 202 B8R0.9 CC(=O)OC[C@H](O)CCl CS1164 [0,1,0,0,0,0|1,0,0]=2 203 B8R0.9 CCC(=O)CCC(=O)O D93322 [0,1,0,0,0,0|2,0,1]=4 204 B8R0.9 COC(=O)CCC(C)=O H11992 [0,1,0,0,0,0|2,0,1]=4 205 B8R0.21 C#CCCOS(C)(=O)=O W16028 [0,1,0,0,0,0|1,0,2]=4 206 B8R0.21 CCCCCS(=O)(=O)[O-] F10023 [0,1,0,0,0,0|3,0,0]=4 207 B8R0.21 CCCCCS(=O)(=O)[O-] F10035 [0,1,0,0,0,0|3,0,0]=4 208 B8R0.21 CCCCOC(C)(C)C D92818 [0,1,0,0,0,0|1,0,1]=3 209 B8R0.21 CCCCOS(C)(=O)=O A10593 [0,1,0,0,0,0|1,0,0]=2 210 B8R0.21 COCCOS(C)(=O)=O F19933 [0,1,0,0,0,0|2,0,0]=3 211 B8R0.28 CC(=O)CCC=C(C)C D77716 [0,1,0,0,0,0|1,0,2]=4 212 B8R0.28 CC(=O)CCCC(=O)O TD8115 [0,1,0,0,0,0|2,0,1]=4 213 B8R0.28 CC(=O)CCCC(C)C D81757 [0,1,0,0,0,0|1,0,0]=2 214 B8R0.28 CC(=O)CCOC(C)=O D84229 [0,1,0,0,0,0|0,0,1]=2 215 B8R0.28 CC(=O)NCCC(=O)O 50398 [0,1,0,0,0,0|2,0,1]=4 216 B8R0.28 CC(=O)OCCN(C)C D88355 [0,1,0,0,0,0|1,0,0]=2 217 B8R0.28 CC(=O)OCOC(C)=O C16112 [0,1,0,0,0,0|1,0,1]=3 218 B8R0.28 CC(=O)SCCC(=O)O N12196 [0,1,0,0,0,0|1,1,1]=4 219 B8R0.28 CC(C)COCC(=O)O D79193 [0,1,0,0,0,0|3,0,0]=4 220 B8R0.28 CN(C)CCCC(=O)O F14882 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.1 C=C[C@@H]1COC(=O)O1 D92787 [0,0,0,1,0,0|1,0,2]=4 222 B8R1.1 CC[C@H]1CCC(=O)O1 AC2069 [0,0,0,1,0,0|2,0,0]=3 223 B8R1.1 N#C[C@H]1CCC(=O)C1 72729 [0,0,0,1,0,0|2,0,1]=4 224 B8R1.1 NC[C@H]1CCC(=O)N1 29046 [0,0,0,1,0,0|3,0,0]=4 225 B8R1.1 O=C1C=C(CBr)CO1 AC1838 [0,0,0,1,0,0|1,0,2]=4 226 B8R1.1 O=C1CC[C@H](CBr)N1 54799 [0,0,0,1,0,0|3,0,0]=4 227 B8R1.1 O=C1CC[C@H](CBr)N1 FD1199 [0,0,0,1,0,0|3,0,0]=4 228 B8R1.1 O=C1CC[C@H](CO)N1 65450 [0,0,0,1,0,0|3,0,0]=4 229 B8R1.1 O=C1CC[C@H](CO)N1 65451 [0,0,0,1,0,0|3,0,0]=4 230 B8R1.1 O=C1CC[C@H](CO)N1 78078 [0,0,0,1,0,0|3,0,0]=4 231 B8R1.1 O=C1CC[C@H](CO)O1 60100 [0,0,0,1,0,0|3,0,0]=4 232 B8R1.1 O=C1CC[C@H](CO)O1 60102 [0,0,0,1,0,0|3,0,0]=4 233 B8R1.1 O=C1NC[C@H](CCl)O1 74052 [0,0,0,1,0,0|3,0,0]=4 234 B8R1.1 O=C1NC[C@H](CCl)O1 D78281 [0,0,0,1,0,0|3,0,0]=4 235 B8R1.1 O=C1NC[C@H](CO)O1 30493 [0,0,0,1,0,0|3,0,0]=4 236 B8R1.1 O=C1OC[C@H](CO)O1 S12081 [0,0,0,1,0,0|2,0,0]=3 237 B8R1.4 CC1=CC(=O)CCC1 S10448 [0,0,0,1,0,0|1,0,2]=4 238 B8R1.4 CC1CC(O)CCO1 32162 [0,0,0,1,0,0|2,0,1]=4 239 B8R1.4 CC1CCCC(C)N1 F10355 [0,0,0,1,0,0|2,0,1]=4 240 B8R1.4 CC1CCCC(N)C1 33432 [0,0,0,1,0,0|2,0,1]=4 241 B8R1.4 CN1CCCC(=O)C1 25967 [0,0,0,1,0,0|2,0,0]=3 242 B8R1.4 CN1CCNC(=O)C1 23552 [0,0,0,1,0,0|2,0,0]=3 243 B8R1.4 CN1CCOC(=O)C1 70849 [0,0,0,1,0,0|1,0,0]=2 244 B8R1.4 C[C@H]1CC(=O)CCN1 55931 [0,0,0,1,0,0|2,0,0]=3 245 B8R1.4 C[C@H]1CCCC(=O)C1 33413 [0,0,0,1,0,0|1,0,0]=2 246 B8R1.4 C[C@H]1CCCC(=O)N1 P10077 [0,0,0,1,0,0|2,0,0]=3 247 B8R1.4 C[C@H]1CCCC(=O)O1 D90945 [0,0,0,1,0,0|2,0,0]=3 248 B8R1.4 C[C@H]1COCC(=O)N1 88852 [0,0,0,1,0,0|3,0,0]=4 249 B8R1.4 C[C@H]1COCC(=O)N1 88853 [0,0,0,1,0,0|3,0,0]=4 250 B8R1.4 C[C@H]1C[C@@H](O)CCO1 D78943 [0,0,0,1,0,0|2,0,1]=4 251 B8R1.4 N[C@H]1CCNC(=O)C1 28187 [0,0,0,1,0,0|2,0,0]=3 252 B8R1.4 N[C@H]1CCNC(=O)C1 62308 [0,0,0,1,0,0|2,0,0]=3 253 B8R1.4 O=C1CCCC(=O)C1 70018 [0,0,0,1,0,0|2,0,1]=4 254 B8R1.4 O=C1CCNC(=O)C1 65248 [0,0,0,1,0,0|2,0,1]=4 255 B8R1.4 O=C1C[C@@H](O)CCN1 68726 [0,0,0,1,0,0|2,0,0]=3 256 B8R1.7 CC(=O)C1=NCCS1 50518 [0,0,0,1,0,0|3,0,0]=4 257 B8R1.7 CC(=O)C1CCCC1 83754 [0,0,0,1,0,0|1,0,0]=2 258 B8R1.7 CC(=O)N1CCCC1 A12496 [0,0,0,1,0,0|1,0,0]=2 259 B8R1.7 C[C@H](N)C1CCCC1 83753 [0,0,0,1,0,0|2,0,1]=4 260 B8R1.7 C[C@H](O)C1CCCC1 W16248 [0,0,0,1,0,0|1,0,2]=4 261 B8R1.7 NC(=O)C1CCCC1 20928 [0,0,0,1,0,0|2,0,0]=3 262 B8R1.7 NC(=O)[C@@H]1CCCN1 59577 [0,0,0,1,0,0|3,0,0]=4 263 B8R1.7 NC(=O)[C@@H]1CCCN1 59579 [0,0,0,1,0,0|3,0,0]=4 264 B8R1.7 NC(=O)[C@@H]1CCCN1 59581 [0,0,0,1,0,0|3,0,0]=4 265 B8R1.7 NC(=O)[C@@H]1CCCN1 AC8100 [0,0,0,1,0,0|3,0,0]=4 266 B8R1.7 NC(=O)[C@@H]1CCCN1 F10562 [0,0,0,1,0,0|3,0,0]=4 267 B8R1.7 NC(=O)[C@@H]1CCCN1 P10052 [0,0,0,1,0,0|3,0,0]=4 268 B8R1.7 NC(=O)[C@@H]1CCCO1 30997 [0,0,0,1,0,0|3,0,0]=4 269 B8R1.7 NC(=O)[C@H]1CCNC1 37189 [0,0,0,1,0,0|3,0,0]=4 270 B8R1.7 NC(=O)[C@H]1CCNC1 83250 [0,0,0,1,0,0|3,0,0]=4 271 B8R1.7 O=C(Cl)C1CCCC1 D89509 [0,0,0,1,0,0|2,0,0]=3 272 B8R1.7 O=C(O)C1=CCCC1 C10074 [0,0,0,1,0,0|2,0,1]=4 273 B8R1.7 O=C(O)C1CCCC1 34069 [0,0,0,1,0,0|2,0,0]=3 274 B8R1.7 O=C(O)[C@@H]1CCCN1 30759 [0,0,0,1,0,0|3,0,0]=4 275 B8R1.7 O=C(O)[C@@H]1CCCN1 69586 [0,0,0,1,0,0|3,0,0]=4 276 B8R1.7 O=C(O)[C@@H]1CCCN1 P17692 [0,0,0,1,0,0|3,0,0]=4 277 B8R1.7 O=C(O)[C@@H]1CCCO1 30805 [0,0,0,1,0,0|3,0,0]=4 278 B8R1.7 O=C(O)[C@@H]1CCCO1 66521 [0,0,0,1,0,0|3,0,0]=4 279 B8R1.7 O=C(O)[C@@H]1CCCO1 74188 [0,0,0,1,0,0|3,0,0]=4 280 B8R1.7 O=C(O)[C@@H]1CCCS1 72166 [0,0,0,1,0,0|3,0,0]=4 281 B8R1.7 O=C(O)[C@H]1CCNC1 27256 [0,0,0,1,0,0|3,0,0]=4 282 B8R1.7 O=C(O)[C@H]1CCNC1 65300 [0,0,0,1,0,0|3,0,0]=4 283 B8R1.7 O=C(O)[C@H]1CCNC1 65301 [0,0,0,1,0,0|3,0,0]=4 284 B8R1.7 O=C(O)[C@H]1CCNC1 65434 [0,0,0,1,0,0|3,0,0]=4 285 B8R1.7 O=C(O)[C@H]1CCOC1 66518 [0,0,0,1,0,0|3,0,0]=4 286 B8R1.7 S=C(S)N1CCCC1 AC2534 [0,0,0,1,0,0|2,1,0]=4 287 B8R1.22 C=C1OCCCCO1 A10906 [0,0,0,1,0,0|0,0,2]=3 288 B8R1.22 ClC1CCCCCC1 D81846 [0,0,0,1,0,0|2,0,1]=4 289 B8R1.22 NC1CCCCCC1 F19821 [0,0,0,1,0,0|2,0,1]=4 290 B8R1.22 O=C1C=CCCCC1 S10329 [0,0,0,1,0,0|1,0,1]=3 291 B8R1.22 O=C1CCCCCN1 D70254 [0,0,0,1,0,0|1,0,0]=2 292 B8R1.22 O=C1CCCCCO1 D70255 [0,0,0,1,0,0|0,0,0]=1 293 B8R1.22 O=C1CCCNCC1 VT1100 [0,0,0,1,0,0|2,0,0]=3 294 B8R1.22 O=C1CCNCCN1 23498 [0,0,0,1,0,0|2,0,0]=3 295 B8R1.22 O=C1CCOCCN1 F13212 [0,0,0,1,0,0|2,0,0]=3 296 B8R1.22 O=C1CCSCCN1 W16383 [0,0,0,1,0,0|2,0,0]=3 297 B8R1.22 O=C1CNCCCN1 71619 [0,0,0,1,0,0|2,0,0]=3 298 B8R1.22 O=C1CNCCCN1 86465 [0,0,0,1,0,0|2,0,0]=3 299 B8R1.22 OC1CCCCCC1 D89285 [0,0,0,1,0,0|1,0,2]=4 300 B8R1.34 CC(=O)NC1CNC1 38121 [0,0,0,1,0,0|2,0,0]=3 301 B8R1.34 CC(C)OC1CNC1 P10423 [0,0,0,1,0,0|2,0,1]=4 302 B8R1.34 O=C(O)C=C1CCC1 37801 [0,0,0,1,0,0|2,0,1]=4 303 B8R1.34 O=C(O)CC1CCC1 AB3606 [0,0,0,1,0,0|2,0,0]=3 304 B8R1.35 CC(C)NCC1CC1 D86468 [0,0,0,1,0,0|2,0,1]=4 305 B8R1.35 O=C(O)CCC1CC1 68386 [0,0,0,1,0,0|2,0,0]=3 306 B8R1.35 O=C(O)\C=C\C1CC1 P15370 [0,0,0,1,0,0|2,0,1]=4 307 B8R1.72 CC1(C)CNCCO1 P11839 [0,0,0,1,0,0|2,0,1]=4 308 B8R1.72 CC1(N)CCCCC1 71329 [0,0,0,1,0,0|2,0,1]=4 309 B8R1.72 CC1(O)CCCCC1 FD14069 [0,0,0,1,0,0|1,0,2]=4 310 B8R1.72 C[N+]1(C)CCCCC1 A51057 [0,0,0,1,0,0|3,0,0]=4 311 B8R1.72 O=S1(=O)CCCCN1 71476 [0,0,0,1,0,0|3,0,0]=4 312 B8R1.72 O=S1(=O)CCCCO1 36714 [0,0,0,1,0,0|2,0,0]=3 313 B8R1.72 O=S1(=O)OCCCO1 F20412 [0,0,0,1,0,0|3,0,0]=4 314 B5R0.1 C=C(C)CCBr 80247 [2,0,0,0,0,0|2,0,0]=4 315 B5R0.1 C=C(C)OCC 78535 [2,0,0,0,0,0|1,0,0]=3 316 B5R0.1 CC(=O)CC#N 88909 [2,0,0,0,0,0|1,0,1]=4 317 B5R0.1 CC(=O)CCCl F20480 [2,0,0,0,0,0|1,0,0]=3 318 B5R0.1 CC(=O)CCO 55787 [2,0,0,0,0,0|1,0,0]=3 319 B5R0.1 CC(=O)NCO FD10622 [2,0,0,0,0,0|2,0,0]=4 320 B5R0.1 CC(=O)OCBr A12670 [2,0,0,0,0,0|1,0,0]=3 321 B5R0.1 CC(=O)OCCl D78132 [2,0,0,0,0,0|1,0,0]=3 322 B5R0.1 CCCC(=N)N W10324 [2,0,0,0,0,0|2,0,0]=4 323 B5R0.1 CCCC(=O)[O-] D84277 [2,0,0,0,0,0|1,0,0]=3 324 B5R0.1 CCCC(N)=O D70204 [2,0,0,0,0,0|1,0,0]=3 325 B5R0.1 CCC[C@H](C)N 28967 [2,0,0,0,0,0|1,0,1]=4 326 B5R0.1 CCC[C@H](C)O RB3003 [2,0,0,0,0,0|0,0,2]=4 327 B5R0.1 CCC[C@H](C)O T72186 [2,0,0,0,0,0|0,0,2]=4 328 B5R0.1 CCC[N+](=O)[O-] D97683 [2,0,0,0,0,0|2,0,0]=4 329 B5R0.1 CCNC(C)=O AC2513 [2,0,0,0,0,0|1,0,0]=3 330 B5R0.1 CCNC(N)=O D95291 [2,0,0,0,0,0|2,0,0]=4 331 B5R0.1 CCOC(=S)[S-] D78138 [2,0,0,0,0,0|1,1,0]=4 332 B5R0.1 CCOC(=S)[S-] D90455 [2,0,0,0,0,0|1,1,0]=4 333 B5R0.1 CCOC(C)=N D70134 [2,0,0,0,0,0|1,0,0]=3 334 B5R0.1 CCOC(N)=O F21294 [2,0,0,0,0,0|1,0,0]=3 335 B5R0.1 CCO[SiH](C)C I11477 [2,0,0,0,0,0|1,1,0]=4 336 B5R0.1 CCSC(C)=O H11301 [2,0,0,0,0,0|0,1,0]=3 337 B5R0.1 CNCC(=O)O 73735 [2,0,0,0,0,0|2,0,0]=4 338 B5R0.1 CNCC(=O)O AC7804 [2,0,0,0,0,0|2,0,0]=4 339 B5R0.1 CNCC(N)=O A11560 [2,0,0,0,0,0|2,0,0]=4 340 B5R0.1 COCC(=O)Cl D78222 [2,0,0,0,0,0|2,0,0]=4 341 B5R0.1 COCC(=O)O D77874 [2,0,0,0,0,0|2,0,0]=4 342 B5R0.1 COCC(C)=O D91400 [2,0,0,0,0,0|1,0,0]=3 343 B5R0.1 COCC(N)=O F20983 [2,0,0,0,0,0|2,0,0]=4 344 B5R0.1 CSCC(=O)O F15988 [2,0,0,0,0,0|2,0,0]=4 345 B5R0.1 CSCC(N)=O 23231 [2,0,0,0,0,0|2,0,0]=4 346 B5R0.1 CSC[S@](C)=O 63104 [2,0,0,0,0,0|2,0,0]=4 347 B5R0.1 C\C=C\C(C)=O F17125 [2,0,0,0,0,0|0,0,2]=4 348 B5R0.1 NC(=O)CCBr C16124 [2,0,0,0,0,0|2,0,0]=4 349 B5R0.1 NCCC(N)=O F13534 [2,0,0,0,0,0|2,0,0]=4 350 B5R0.1 O=C(Cl)CCBr D88890 [2,0,0,0,0,0|2,0,0]=4 351 B5R0.1 O=C(Cl)OCCl H11933 [2,0,0,0,0,0|2,0,0]=4 352 B5R0.1 O=C(O)CCBr P17146 [2,0,0,0,0,0|2,0,0]=4 353 B5R0.1 O=C(O)CCF 71324 [2,0,0,0,0,0|2,0,0]=4 354 B5R0.1 O=C(O)CCI D91073 [2,0,0,0,0,0|2,0,0]=4 355 B5R0.1 O=C(O)CCO 77998 [2,0,0,0,0,0|2,0,0]=4 356 B5R0.1 O=C(O)CCS AT21041 [2,0,0,0,0,0|2,0,0]=4 357 B5R0.2 C#CCCCC 75209 [2,0,0,0,0,0|0,0,2]=4 358 B5R0.2 C=CCCCBr 78391 [2,0,0,0,0,0|1,0,1]=4 359 B5R0.2 C=CCCCCl O11411 [2,0,0,0,0,0|1,0,1]=4 360 B5R0.2 C=CCCCN 68255 [2,0,0,0,0,0|1,0,1]=4 361 B5R0.2 C=CCCCN 86153 [2,0,0,0,0,0|1,0,1]=4 362 B5R0.2 C=CCCCO 76184 [2,0,0,0,0,0|1,0,1]=4 363 B5R0.2 C=COCCO D78209 [2,0,0,0,0,0|1,0,1]=4 364 B5R0.2 CCCCNN F17594 [2,0,0,0,0,0|2,0,0]=4 365 B5R0.2 CCCCON H11431 [2,0,0,0,0,0|1,0,0]=3 366 B5R0.2 CCCNCC F21346 [2,0,0,0,0,0|1,0,1]=4 367 B5R0.2 CCOCCCl 29431 [2,0,0,0,0,0|1,0,1]=4 368 B5R0.2 CC\C=C\C=O 11553 [2,0,0,0,0,0|0,0,2]=4 369 B5R0.2 CNCCCCl F16501 [2,0,0,0,0,0|2,0,0]=4 370 B5R0.2 CNCCCN 37144 [2,0,0,0,0,0|2,0,0]=4 371 B5R0.2 CNCCCO 36133 [2,0,0,0,0,0|2,0,0]=4 372 B5R0.2 CNCCNC 39416 [2,0,0,0,0,0|2,0,0]=4 373 B5R0.2 CNCCOC D70346 [2,0,0,0,0,0|1,0,0]=3 374 B5R0.2 CNCCSC AC2521 [2,0,0,0,0,0|1,1,0]=4 375 B5R0.2 COCCC#N D71223 [2,0,0,0,0,0|1,0,1]=4 376 B5R0.2 COCCCBr F11235 [2,0,0,0,0,0|1,0,0]=3 377 B5R0.2 COCCCCl H11766 [2,0,0,0,0,0|1,0,0]=3 378 B5R0.2 COCCCN D81053 [2,0,0,0,0,0|1,0,0]=3 379 B5R0.2 COCCNN 72234 [2,0,0,0,0,0|2,0,0]=4 380 B5R0.2 COCCOC D81126 [2,0,0,0,0,0|1,0,0]=3 381 B5R0.2 COCCOC D83907 [2,0,0,0,0,0|1,0,0]=3 382 B5R0.2 COCCOC F16635 [2,0,0,0,0,0|1,0,0]=3 383 B5R0.2 COCCON D82747 [2,0,0,0,0,0|2,0,0]=4 384 B5R0.2 CSCCCO 79218 [2,0,0,0,0,0|1,1,0]=4 385 B5R0.2 CSCCC[NH3+] D91382 [2,0,0,0,0,0|1,1,0]=4 386 B5R0.2 C\C=C/CCC D90857 [2,0,0,0,0,0|0,0,1]=3 387 B5R0.2 N#CCOC=O D95257 [2,0,0,0,0,0|1,0,1]=4 388 B7R0.2 C=C[C@H](C)OC(C)=O D88608 [1,1,0,0,0,0|0,0,2]=4 389 B7R0.2 CCC(=O)CC(C)=O 24687 [1,1,0,0,0,0|0,0,1]=3 390 B7R0.2 CCC(=O)OC(C)=O 27049 [1,1,0,0,0,0|0,0,1]=3 391 B7R0.2 CCC(C)CC(C)N 40016 [1,1,0,0,0,0|1,0,1]=4 392 B7R0.2 CCC(C)CC(C)N D88161 [1,1,0,0,0,0|1,0,1]=4 393 B7R0.2 CCN(C)CC(=O)O D97398 [1,1,0,0,0,0|2,0,0]=4 394 B7R0.2 CC[C@H](C)CC(=O)O 63956 [1,1,0,0,0,0|1,0,0]=3 395 B7R0.2 CC[C@H](C)CC(=O)O 63972 [1,1,0,0,0,0|1,0,0]=3 396 B7R0.2 CC[C@H](C)NC(N)=O D95824 [1,1,0,0,0,0|2,0,0]=4 397 B7R0.2 CC[C@H](N)CC(=O)O 52001 [1,1,0,0,0,0|1,0,0]=3 398 B7R0.2 CC[C@H](N)CC(=O)O 52002 [1,1,0,0,0,0|1,0,0]=3 399 B7R0.2 CC[C@H](N)CC(=O)O Y10914 [1,1,0,0,0,0|1,0,0]=3 400 B7R0.2 CC[C@H](N)CC(=O)O Y11199 [1,1,0,0,0,0|1,0,0]=3 401 B7R0.2 COC(=O)CC(C)=O D70329 [1,1,0,0,0,0|1,0,1]=4 402 B7R0.2 NC[C@@H](N)CC(=O)O D82928 [1,1,0,0,0,0|2,0,0]=4 403 B7R0.2 NC[C@@H](O)CC(=O)O 52129 [1,1,0,0,0,0|2,0,0]=4 404 B7R0.2 NC[C@@H](O)CC(=O)O 52130 [1,1,0,0,0,0|2,0,0]=4 405 B7R0.2 NC[C@@H](O)CC(=O)O AB3028 [1,1,0,0,0,0|2,0,0]=4 406 B7R0.2 N[C@H](CO)CC(=O)O 27226 [1,1,0,0,0,0|2,0,0]=4 407 B7R0.3 C=CC(=O)OCCO D78194 [1,1,0,0,0,0|1,0,1]=4 408 B7R0.3 C=CCOC(=O)CCl 76814 [1,1,0,0,0,0|0,0,2]=4 409 B7R0.3 C=CCOC(=O)OC H10625 [1,1,0,0,0,0|0,0,2]=4 410 B7R0.3 CCCCC(=O)CC D90783 [1,1,0,0,0,0|0,0,0]=2 411 B7R0.3 CCCCC(=O)NN 74164 [1,1,0,0,0,0|1,0,0]=3 412 B7R0.3 CCCC[C@H](Br)CBr D93164 [1,1,0,0,0,0|1,0,1]=4 413 B7R0.3 CCCC[C@H](N)CO A11352 [1,1,0,0,0,0|1,0,1]=4 414 B7R0.3 CCCC[C@H](N)CO N12322 [1,1,0,0,0,0|1,0,1]=4 415 B7R0.3 CCCC[C@H](O)CO F11270 [1,1,0,0,0,0|0,0,2]=4 416 B7R0.3 CCCOC(=O)OC D83836 [1,1,0,0,0,0|0,0,0]=2 417 B7R0.3 CC\C=C\C(=O)OC S12000 [1,1,0,0,0,0|0,0,2]=4 418 B7R0.3 CNCCC(=O)NC 30723 [1,1,0,0,0,0|1,0,0]=3 419 B7R0.3 CNCCC(=O)OC 32388 [1,1,0,0,0,0|1,0,0]=3 420 B7R0.3 COC(=O)CCC#N 82641 [1,1,0,0,0,0|1,0,1]=4 421 B7R0.3 COC(=O)CCC=O 63110 [1,1,0,0,0,0|1,0,1]=4 422 B7R0.3 COC(=O)CCCBr S11981 [1,1,0,0,0,0|1,0,0]=3 423 B7R0.3 COC(=O)CCCCl 28856 [1,1,0,0,0,0|1,0,0]=3 424 B7R0.3 COC(=O)CCCN 64233 [1,1,0,0,0,0|1,0,0]=3 425 B7R0.5 CCCN(C)C(=O)Cl AC2466 [1,1,0,0,0,0|2,0,0]=4 426 B7R0.5 CCC[C@H](C)C(=O)O D78086 [1,1,0,0,0,0|1,0,0]=3 427 B7R0.5 CCC[C@H](N)C(=O)O 27282 [1,1,0,0,0,0|1,0,0]=3 428 B7R0.5 CCC[C@H](N)C(=O)O 73286 [1,1,0,0,0,0|1,0,0]=3 429 B7R0.5 CCC[C@H](N)C(=O)O D70899 [1,1,0,0,0,0|1,0,0]=3 430 B7R0.5 CCOC(=O)C(C)=O D72526 [1,1,0,0,0,0|1,0,1]=4 431 B7R0.5 COC[C@H](N)C(=O)O 23000 [1,1,0,0,0,0|2,0,0]=4 432 B7R0.5 COC[C@H](N)C(=O)O 23621 [1,1,0,0,0,0|2,0,0]=4 433 B7R0.5 COC[C@H](N)C(=O)O 25149 [1,1,0,0,0,0|2,0,0]=4 434 B7R0.5 COC[C@H](N)C(=O)O 52228 [1,1,0,0,0,0|2,0,0]=4 435 B7R0.5 COC[C@H](N)C(=O)O F10843 [1,1,0,0,0,0|2,0,0]=4 436 B7R0.5 CSC[C@H](N)C(=O)O FD21238 [1,1,0,0,0,0|2,0,0]=4 437 B7R0.5 NCC[C@H](N)C(=O)O 71083 [1,1,0,0,0,0|2,0,0]=4 438 B7R0.5 NCC[C@H](N)C(=O)O FD1067 [1,1,0,0,0,0|2,0,0]=4 439 B7R0.5 NCC[C@H](N)C(=O)O FD1073 [1,1,0,0,0,0|2,0,0]=4 440 B7R0.5 NCC[C@H](O)C(=O)O 28622 [1,1,0,0,0,0|2,0,0]=4 441 B7R0.5 NCC[C@H](O)C(=O)O O11154 [1,1,0,0,0,0|2,0,0]=4 442 B7R0.5 N[C@@H](CCBr)C(=O)O FD1268 [1,1,0,0,0,0|2,0,0]=4 443 B7R0.5 N[C@@H](CCO)C(=O)O 27335 [1,1,0,0,0,0|2,0,0]=4 444 B7R0.5 N[C@@H](CCO)C(=O)O FD1121 [1,1,0,0,0,0|2,0,0]=4 445 B7R0.5 N[C@@H](CCO)C(=O)O FD1124 [1,1,0,0,0,0|2,0,0]=4 446 B7R0.6 C=C(C)CCC(=O)O 80208 [1,1,0,0,0,0|1,0,1]=4 447 B7R0.6 C=C(C)COC(C)=O D88456 [1,1,0,0,0,0|0,0,1]=3 448 B7R0.6 CC(=O)CCC(=O)O D70802 [1,1,0,0,0,0|1,0,1]=4 449 B7R0.6 CC(=O)CCC(=O)[O-] H10799 [1,1,0,0,0,0|1,0,1]=4 450 B7R0.6 CC(=O)CCC(C)=O D71099 [1,1,0,0,0,0|0,0,1]=3 451 B7R0.6 CC(=O)CCN(C)C D82201 [1,1,0,0,0,0|1,0,0]=3 452 B7R0.6 CC(=O)CNC(C)=O 83215 [1,1,0,0,0,0|1,0,1]=4 453 B7R0.6 CC(=O)OCC(=O)Cl S12356 [1,1,0,0,0,0|1,0,1]=4 454 B7R0.6 CC(=O)OCC(=O)O D81772 [1,1,0,0,0,0|1,0,1]=4 455 B7R0.6 CC(=O)OCC(F)F F20444 [1,1,0,0,0,0|1,0,0]=3 456 B7R0.6 CC(C)CCC(=O)O 28835 [1,1,0,0,0,0|1,0,0]=3 457 B7R0.6 CC(C)CC[C@H](C)O D91520 [1,1,0,0,0,0|0,0,2]=4 458 B7R0.6 CC(C)COC(=S)[S-] D97186 [1,1,0,0,0,0|1,1,0]=4 459 B7R0.6 CC(O)CCC(C)O F17534 [1,1,0,0,0,0|0,0,2]=4 460 B7R0.6 CN(C)CCC(=O)O 30383 [1,1,0,0,0,0|2,0,0]=4 461 B7R0.6 CN(C)CCC(=O)O 35949 [1,1,0,0,0,0|2,0,0]=4 462 B7R0.6 C[C@H](O)CC[C@H](C)O T71918 [1,1,0,0,0,0|0,0,2]=4 463 B7R0.6 C[S+](C)CCC(=O)O 74954 [1,1,0,0,0,0|2,0,0]=4 464 B7R0.8 CCCCC(C)(C)O D91354 [1,1,0,0,0,0|0,0,2]=4 465 B7R0.8 CCCCS(=O)(=O)Cl D88706 [1,1,0,0,0,0|2,0,0]=4 466 B7R0.8 CCCCS(=O)(=O)[O-] F10017 [1,1,0,0,0,0|2,0,0]=4 467 B7R0.8 CCCC[N+](C)(C)C D89168 [1,1,0,0,0,0|2,0,0]=4 468 B7R0.8 CCCC[N+](C)(C)C D97448 [1,1,0,0,0,0|2,0,0]=4 469 B7R0.8 CCCC[Si](C)(C)Cl D88885 [1,1,0,0,0,0|1,1,0]=4 470 B7R0.8 CCCOC(C)(C)C S11895 [1,1,0,0,0,0|1,0,1]=4 471 B7R0.8 CCCOS(C)(=O)=O D92166 [1,1,0,0,0,0|1,0,0]=3 472 B7R0.8 CNCCS(C)(=O)=O AR3755 [1,1,0,0,0,0|2,0,0]=4 473 B7R0.8 CS(=O)(=O)CCCO 29519 [1,1,0,0,0,0|2,0,0]=4 474 B7R0.8 CS(=O)(=O)OCCCl H11355 [1,1,0,0,0,0|2,0,0]=4 475 B7R0.1 C=CCCCCCBr 34943 [1,1,0,0,0,0|1,0,1]=4 476 B7R0.1 C=CCCCCNC C75624 [1,1,0,0,0,0|1,0,1]=4 477 B7R0.1 C=CCOCCCC D88441 [1,1,0,0,0,0|0,0,1]=3 478 B7R0.1 CCCCCCCBr D78084 [1,1,0,0,0,0|1,0,1]=4 479 B7R0.1 CCCCCCCI D70828 [1,1,0,0,0,0|1,0,1]=4 480 B7R0.1 CCCCCCCS D90781 [1,1,0,0,0,0|1,0,1]=4 481 B7R0.1 CCCCOCCCl D89363 [1,1,0,0,0,0|0,0,1]=3 482 B7R0.1 CCCC\C=C\C=O 39424 [1,1,0,0,0,0|1,0,0]=3 483 B7R0.1 CNCCCCNC 29857 [1,1,0,0,0,0|2,0,0]=4 484 B7R0.1 COCCOCCBr AC1298 [1,1,0,0,0,0|1,0,1]=4 485 B7R0.1 COCCOCCN F19842 [1,1,0,0,0,0|1,0,1]=4 486 B7R0.1 COCCOCCO D78002 [1,1,0,0,0,0|1,0,1]=4 487 B7R0.7 CCCC(N)CCC 28065 [1,1,0,0,0,0|1,0,1]=4 488 B7R0.7 CCCC(O)CCC H10221 [1,1,0,0,0,0|1,0,1]=4 489 B9R0.4 CCCC[C@H](N)CC(=O)O 29775 [0,2,0,0,0,0|2,0,0]=4 490 B9R0.34 CCCC(=O)CC(=O)OC F16755 [0,2,0,0,0,0|1,0,1]=4 491 B9R0.53 CC(=O)CC(=O)CC(C)C D91362 [0,2,0,0,0,0|1,0,1]=4 492 B9R0.53 CC(=O)C[C@@H](C)CC(C)C D95694 [0,2,0,0,0,0|1,0,0]=3 493 B9R0.53 CC(=O)OC(C)OC(C)=O D90424 [0,2,0,0,0,0|1,0,1]=4 494 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52004 [0,2,0,0,0,0|2,0,0]=4 495 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52005 [0,2,0,0,0,0|2,0,0]=4 496 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52006 [0,2,0,0,0,0|2,0,0]=4 497 B9R0.1 C=C(C)CCCC(=O)OC C74671 [0,2,0,0,0,0|1,0,1]=4 498 B9R0.1 C=CC(=O)OCCN(C)C D78266 [0,2,0,0,0,0|1,0,1]=4 499 B9R0.1 CC(C)=CCC[C@H](C)C=O D89853 [0,2,0,0,0,0|2,0,0]=4 500 B9R0.1 COC(=O)CCCC(C)=O AC8283 [0,2,0,0,0,0|1,0,1]=4 501 B9R0.1 COC(=O)\C=C\CC(C)C W11675 [0,2,0,0,0,0|1,0,1]=4 502 B9R0.5 CCCCNC(=O)CC#N D70031 [0,2,0,0,0,0|1,0,0]=3 503 B9R0.5 CCCNCC(=O)OCC 20892 [0,2,0,0,0,0|2,0,0]=4 504 B9R0.5 CCC\C=C\C(=O)OCC D90567 [0,2,0,0,0,0|1,0,1]=4 505 B9R0.5 CCOC(=O)CCCCBr 78992 [0,2,0,0,0,0|2,0,0]=4 506 B9R0.8 CCCC[C@H](Br)C(=O)OC F20310 [0,2,0,0,0,0|1,0,0]=3 507 B9R0.8 CCCC[C@H](N)C(=O)OC 23107 [0,2,0,0,0,0|1,0,0]=3 508 B9R0.8 CCCC[C@H](N)C(=O)OC O10226 [0,2,0,0,0,0|1,0,0]=3 509 B9R0.8 COC(=O)[C@@H](Br)CCCBr O11857 [0,2,0,0,0,0|2,0,0]=4 510 B9R0.8 COC(=O)[C@@H](N)CCCN I10675 [0,2,0,0,0,0|2,0,0]=4 511 B9R0.8 COC(=O)[C@@H](N)CCSC F10799 [0,2,0,0,0,0|2,0,0]=4 512 B9R0.8 COC(=O)[C@@H](N)CCSC F10996 [0,2,0,0,0,0|2,0,0]=4 513 B9R0.24 CCC(=O)CCC(=O)OC D92982 [0,2,0,0,0,0|1,0,1]=4 514 B9R0.24 O=C(CCl)NC[C@H](O)CO AB8869 [0,2,0,0,0,0|2,0,0]=4 515 B9R0.46 CCCCCCC(=O)OC D90782 [0,2,0,0,0,0|1,0,0]=3 516 B9R0.46 COC(=O)CCCCC=O C76096 [0,2,0,0,0,0|1,0,1]=4 517 B9R0.46 COC(=O)CCCCCBr AC7709 [0,2,0,0,0,0|1,0,0]=3 518 B9R0.46 COC(=O)CCCCCN 24451 [0,2,0,0,0,0|1,0,0]=3 519 B9R0.46 COC(=O)CCCCCO D97618 [0,2,0,0,0,0|1,0,0]=3 520 B9R0.47 C=C(C)C(=O)NCCCN 35820 [0,2,0,0,0,0|2,0,0]=4 521 B9R0.47 C=C(F)C(=O)OCCCC D83944 [0,2,0,0,0,0|0,0,1]=3 522 B9R0.47 CCCCC[C@H](C)C(=O)O D91473 [0,2,0,0,0,0|1,0,1]=4 523 B9R0.47 CCCCC[C@H](N)C(=O)O C71385 [0,2,0,0,0,0|2,0,0]=4 524 B9R0.47 CCCCOC(=O)[C@H](C)N 36325 [0,2,0,0,0,0|0,0,0]=2 525 B9R0.47 CCCCOC(=O)[C@H](C)O D70202 [0,2,0,0,0,0|0,0,0]=2 526 B9R0.47 CCSCC[C@H](N)C(=O)O 30126 [0,2,0,0,0,0|2,0,0]=4 527 B9R0.47 NCCCC[C@H](N)C(=O)O 23029 [0,2,0,0,0,0|2,0,0]=4 528 B9R0.47 NCCCC[C@H](N)C(=O)O 26700 [0,2,0,0,0,0|2,0,0]=4 529 B9R0.47 NCCCC[C@H](N)C(=O)O 70041 [0,2,0,0,0,0|2,0,0]=4 530 B9R0.47 NCCCC[C@H](N)C(=O)O AC7885 [0,2,0,0,0,0|2,0,0]=4 531 B9R0.47 NCCCC[C@H](N)C(=O)O D70557 [0,2,0,0,0,0|2,0,0]=4 532 B9R0.47 NCCCC[C@H](N)C(=O)O D70613 [0,2,0,0,0,0|2,0,0]=4 533 B9R0.47 NCCCC[C@H](N)C(=O)O F11082 [0,2,0,0,0,0|2,0,0]=4 534 B9R0.47 NCCCC[C@H](N)C(=O)O FD20004 [0,2,0,0,0,0|2,0,0]=4 535 B9R0.47 NCCCC[C@H](N)C(=O)O S10365 [0,2,0,0,0,0|2,0,0]=4 536 B9R0.47 NCCCC[C@H](N)C(N)=O F10910 [0,2,0,0,0,0|2,0,0]=4 537 B9R0.2 CC(=O)NCCCCCN F14796 [0,2,0,0,0,0|1,0,0]=3 538 B9R0.2 CC(=O)OCCCCCBr D70120 [0,2,0,0,0,0|0,0,0]=2 539 B9R0.2 CC(=O)OCCOCCCl D95763 [0,2,0,0,0,0|0,0,0]=2 540 B9R0.2 CC(=O)OCCOCCO S10606 [0,2,0,0,0,0|0,0,0]=2 541 B9R0.2 CC=CC=CCOC(C)=O D94527 [0,2,0,0,0,0|0,0,2]=4 542 B9R0.2 CCCCCCCC(N)=O D91840 [0,2,0,0,0,0|2,0,0]=4 543 B9R0.2 CC\C=C/CCOC(C)=O D88345 [0,2,0,0,0,0|0,0,0]=2 544 B9R0.2 COCCCCOC(C)=O D88465 [0,2,0,0,0,0|0,0,0]=2 545 B9R0.2 NCCCCCCC(=O)O 33797 [0,2,0,0,0,0|2,0,0]=4 546 B9R0.2 NCCCCCCC(=O)O F11866 [0,2,0,0,0,0|2,0,0]=4 547 B9R0.2 O=C(O)CCCCCCBr F11868 [0,2,0,0,0,0|2,0,0]=4 548 B9R0.2 O=C(O)CCCCCCO O11656 [0,2,0,0,0,0|2,0,0]=4 549 B9R0.38 CSCCCOS(C)(=O)=O C11627 [0,2,0,0,0,0|1,0,0]=3 550 B9R0.48 CCOC(=O)CCC(C)=O D77713 [0,2,0,0,0,0|1,0,1]=4 551 B9R0.48 CCOC(=O)CNC(C)=O C10387 [0,2,0,0,0,0|1,0,1]=4 552 B9R0.55 CC(=O)CCCCC(=O)O AT14509 [0,2,0,0,0,0|1,0,1]=4 553 B9R0.55 CC(=O)NCCCC(=O)O D87839 [0,2,0,0,0,0|1,0,1]=4 554 B9R0.55 CC(=O)NCCCN(C)C AC5885 [0,2,0,0,0,0|1,0,0]=3 555 B9R0.55 CN(C)CCCCC(=O)O 29149 [0,2,0,0,0,0|2,0,0]=4 556 B9R0.55 CN(C)CCCCC(=O)O 31841 [0,2,0,0,0,0|2,0,0]=4 557 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 50435 [0,2,0,0,0,0|1,0,1]=4 558 B9R0.7 CC(C)CC[C@H](N)C(=O)O 35603 [0,2,0,0,0,0|2,0,0]=4 559 B9R0.7 CC(C)CC[C@H](N)C(=O)O F11532 [0,2,0,0,0,0|2,0,0]=4 560 B9R0.13 CCCCC(CC)C(=O)[O-] AC8589 [0,2,0,0,0,0|2,0,0]=4 561 B9R0.13 CCCCC(CC)C(=O)[O-] D95682 [0,2,0,0,0,0|2,0,0]=4 562 B9R0.13 CCCCC(CC)C(=O)[O-] H11235 [0,2,0,0,0,0|2,0,0]=4 563 B9R0.13 CCCC[C@H](CC)C(=O)[O-] 58586 [0,2,0,0,0,0|2,0,0]=4 564 B9R0.13 CCCC[C@H](CC)C(=O)[O-] A51068 [0,2,0,0,0,0|2,0,0]=4 565 B9R0.51 CCCCC(C)(C)C(=O)O T71346 [0,2,0,0,0,0|2,0,0]=4 566 B9R0.43 CC[C@@H](COC(C)=O)OC D88464 [0,2,0,0,0,0|0,0,0]=2 567 B9R0.43 COC(CNC(C)=O)OC AR3455 [0,2,0,0,0,0|2,0,0]=4 568 B9R0.56 CC(=O)OCC[B-](F)(F)F S11738 [0,2,0,0,0,0|2,0,0]=4 569 B9R0.56 CC(=O)OCC[N+](C)(C)C D81773 [0,2,0,0,0,0|1,0,0]=3 570 B9R0.56 CC(=O)OCC[N+](C)(C)C D88210 [0,2,0,0,0,0|1,0,0]=3 571 B9R0.56 CC(=O)SCC[N+](C)(C)C C93437 [0,2,0,0,0,0|1,1,0]=4 572 B7R1.2 CC1=CC(=O)CC1 H10654 [1,0,0,1,0,0|0,0,2]=4 573 B7R1.2 CC1CCC(C)N1 D96806 [1,0,0,1,0,0|1,0,1]=4 574 B7R1.2 CC1COS(=O)O1 D91602 [1,0,0,1,0,0|2,0,0]=4 575 B7R1.2 C[C@@H]1CNC(=O)C1 P10078 [1,0,0,1,0,0|1,0,0]=3 576 B7R1.2 C[C@H]1CCC(=O)C1 F10505 [1,0,0,1,0,0|0,0,0]=2 577 B7R1.2 C[C@H]1CCC(=O)N1 D72848 [1,0,0,1,0,0|1,0,0]=3 578 B7R1.2 C[C@H]1CCC(=O)O1 P20539 [1,0,0,1,0,0|1,0,0]=3 579 B7R1.2 C[C@H]1COC(=O)O1 28658 [1,0,0,1,0,0|1,0,0]=3 580 B7R1.2 N[C@@H]1CNC(=O)C1 38799 [1,0,0,1,0,0|2,0,0]=4 581 B7R1.2 N[C@@H]1CNC(=O)C1 SC5061 [1,0,0,1,0,0|2,0,0]=4 582 B7R1.2 N[C@@H]1COC(=O)C1 FD1172 [1,0,0,1,0,0|1,0,0]=3 583 B7R1.2 O=C1CCC(=O)C1 23085 [1,0,0,1,0,0|1,0,1]=4 584 B7R1.2 O=C1COC(=O)C1 T72521 [1,0,0,1,0,0|1,0,1]=4 585 B7R1.2 O=C1C[C@H](O)CN1 26280 [1,0,0,1,0,0|2,0,0]=4 586 B7R1.2 O=C1C[C@H](O)CN1 62393 [1,0,0,1,0,0|2,0,0]=4 587 B7R1.2 O=C1C[C@H](O)CN1 62394 [1,0,0,1,0,0|2,0,0]=4 588 B7R1.2 O=C1C[C@H](O)CO1 H11711 [1,0,0,1,0,0|1,0,0]=3 589 B7R1.2 O=C1OC[C@H](Cl)O1 C13865 [1,0,0,1,0,0|2,0,0]=4 590 B7R1.2 O=C1OC[C@H](F)O1 FD2018 [1,0,0,1,0,0|2,0,0]=4 591 B7R1.3 BrC1=CCCCC1 N12373 [1,0,0,1,0,0|1,0,1]=4 592 B7R1.3 BrC1CCCCC1 P19773 [1,0,0,1,0,0|1,0,1]=4 593 B7R1.3 CC1=CCCCC1 H10759 [1,0,0,1,0,0|1,0,0]=3 594 B7R1.3 CC1=CCCNC1 39250 [1,0,0,1,0,0|2,0,0]=4 595 B7R1.3 CC1=CCNCC1 39249 [1,0,0,1,0,0|2,0,0]=4 596 B7R1.3 C[C@H]1CCCCN1 64251 [1,0,0,1,0,0|1,0,1]=4 597 B7R1.3 C[C@H]1CCCCN1 64253 [1,0,0,1,0,0|1,0,1]=4 598 B7R1.3 IC1CCCCC1 F20359 [1,0,0,1,0,0|1,0,1]=4 599 B7R1.3 NN1CCCCC1 77856 [1,0,0,1,0,0|2,0,0]=4 600 B7R1.3 NN1CCCCC1 78303 [1,0,0,1,0,0|2,0,0]=4 601 B7R1.3 O=C1C=CCCO1 71011 [1,0,0,1,0,0|0,0,2]=4 602 B7R1.3 O=C1CCCCN1 F10312 [1,0,0,1,0,0|1,0,0]=3 603 B7R1.3 O=C1CCCCO1 20506 [1,0,0,1,0,0|0,0,0]=2 604 B7R1.3 O=C1CCCNC1 36189 [1,0,0,1,0,0|1,0,0]=3 605 B7R1.3 O=C1CCCNC1 65124 [1,0,0,1,0,0|1,0,0]=3 606 B7R1.3 O=C1CCCOC1 67990 [1,0,0,1,0,0|1,0,0]=3 607 B7R1.3 O=C1CCCSC1 38182 [1,0,0,1,0,0|1,0,0]=3 608 B7R1.3 O=C1CCNCC1 AB2978 [1,0,0,1,0,0|1,0,0]=3 609 B7R1.3 O=C1CCNCC1 AB7716 [1,0,0,1,0,0|1,0,0]=3 610 B7R1.3 O=C1CCOCC1 28100 [1,0,0,1,0,0|1,0,0]=3 611 B7R1.3 O=C1CCSCC1 34742 [1,0,0,1,0,0|1,0,0]=3 612 B7R1.3 O=C1CNCCN1 65258 [1,0,0,1,0,0|2,0,0]=4 613 B7R1.3 O=C1COCCN1 35814 [1,0,0,1,0,0|2,0,0]=4 614 B7R1.3 O=C1COCCO1 39291 [1,0,0,1,0,0|1,0,0]=3 615 B7R1.3 O=C1NCCCN1 F14817 [1,0,0,1,0,0|2,0,0]=4 616 B7R1.3 O=C1NCCCO1 30441 [1,0,0,1,0,0|1,0,0]=3 617 B7R1.3 O=C1OCCCO1 F20507 [1,0,0,1,0,0|1,0,0]=3 618 B7R1.3 O=S1CCNCC1 C10519 [1,0,0,1,0,0|2,0,0]=4 619 B7R1.3 O=S1OCCCO1 D90284 [1,0,0,1,0,0|2,0,0]=4 620 B7R1.3 ON1CCCCC1 65654 [1,0,0,1,0,0|1,0,1]=4 621 B7R1.3 O[C@@H]1CCCCO1 F19855 [1,0,0,1,0,0|0,0,2]=4 622 B7R1.10 N#CC1CC(=O)C1 84170 [1,0,0,1,0,0|1,0,1]=4 623 B7R1.10 NCC1CC(=O)C1 38380 [1,0,0,1,0,0|1,0,0]=3 624 B7R1.10 O=C1CC(CO)C1 P11065 [1,0,0,1,0,0|1,0,0]=3 625 B7R1.12 O=C(O)C1CC1F CS2163 [1,0,0,1,0,0|2,0,0]=4 626 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS1221 [1,0,0,1,0,0|2,0,0]=4 627 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS1224 [1,0,0,1,0,0|2,0,0]=4 628 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS2019 [1,0,0,1,0,0|2,0,0]=4 629 B7R1.12 O=C(O)[C@H]1C[C@@H]1F CS1503 [1,0,0,1,0,0|2,0,0]=4 630 B7R1.14 CC1(O)CCCC1 35177 [1,0,0,1,0,0|0,0,2]=4 631 B7R1.14 N=S1(=O)CCCC1 W16224 [1,0,0,1,0,0|2,0,0]=4 632 B7R1.14 O=S1(=O)CCCC1 D78046 [1,0,0,1,0,0|2,0,0]=4 633 B7R1.18 CC(=O)C1CCC1 P15299 [1,0,0,1,0,0|0,0,0]=2 634 B7R1.18 C[C@H](O)C1CCC1 24983 [1,0,0,1,0,0|0,0,2]=4 635 B7R1.18 C[C@H](O)C1CCC1 P18048 [1,0,0,1,0,0|0,0,2]=4 636 B7R1.18 N=C(N)C1CCC1 29597 [1,0,0,1,0,0|2,0,0]=4 637 B7R1.18 NC(=O)C1CNC1 27669 [1,0,0,1,0,0|2,0,0]=4 638 B7R1.18 NC(=O)C1CNC1 37074 [1,0,0,1,0,0|2,0,0]=4 639 B7R1.18 O=C(Cl)C1CCC1 D87747 [1,0,0,1,0,0|1,0,0]=3 640 B7R1.18 O=C(O)C1CCC1 59526 [1,0,0,1,0,0|1,0,0]=3 641 B7R1.18 O=C(O)C1CNC1 56245 [1,0,0,1,0,0|2,0,0]=4 642 B7R1.18 O=C(O)C1CNC1 67857 [1,0,0,1,0,0|2,0,0]=4 643 B7R1.18 O=C(O)[C@@H]1CCN1 20950 [1,0,0,1,0,0|2,0,0]=4 644 B7R1.18 O=C(O)[C@@H]1CCN1 20951 [1,0,0,1,0,0|2,0,0]=4 645 B7R1.18 O=C(O)[C@@H]1CCN1 24715 [1,0,0,1,0,0|2,0,0]=4 646 B7R1.18 O=C(O)[C@@H]1CCN1 57406 [1,0,0,1,0,0|2,0,0]=4 647 B7R1.18 O=C(O)[C@@H]1CCN1 66104 [1,0,0,1,0,0|2,0,0]=4 648 B7R1.20 O=C(O)CC1CC1 CL4520 [1,0,0,1,0,0|1,0,0]=3 649 B7R1.1 CCN1CCCC1 F17079 [1,0,0,1,0,0|1,0,1]=4 650 B7R1.1 CNC1CCCC1 F20064 [1,0,0,1,0,0|2,0,0]=4 651 B7R1.1 CN[C@H]1CCOC1 P10528 [1,0,0,1,0,0|1,0,1]=4 652 B7R1.1 CN[C@H]1CCOC1 P10858 [1,0,0,1,0,0|1,0,1]=4 653 B7R1.1 IC[C@H]1CCOC1 P10359 [1,0,0,1,0,0|1,0,1]=4 654 B7R1.1 NC[C@H]1CCOC1 37315 [1,0,0,1,0,0|1,0,1]=4 655 B7R1.1 NC[C@H]1CCOC1 SC2551 [1,0,0,1,0,0|1,0,1]=4 656 B7R1.1 O=CC1CCCC1 H11353 [1,0,0,1,0,0|1,0,0]=3 657 B7R1.1 O=CN1CCCC1 D83491 [1,0,0,1,0,0|1,0,0]=3 658 B7R1.1 O=C[C@H]1CCOC1 I10170 [1,0,0,1,0,0|2,0,0]=4 659 B7R1.1 O=NN1CCCC1 D82025 [1,0,0,1,0,0|2,0,0]=4 660 B7R1.1 OCC1CC=CC1 23897 [1,0,0,1,0,0|2,0,0]=4 661 B7R1.1 OC[C@H]1CCOC1 83670 [1,0,0,1,0,0|1,0,1]=4 662 B7R1.4 C=C1CCOC1=O FD18014 [1,0,0,1,0,0|0,0,2]=4 663 B7R1.4 CC1OCCC1S AT13652 [1,0,0,1,0,0|1,0,1]=4 664 B7R1.4 CN1CCCC1=O D78116 [1,0,0,1,0,0|2,0,0]=4 665 B7R1.4 CN1CCOC1=O 70761 [1,0,0,1,0,0|1,0,0]=3 666 B7R1.4 C[C@@H]1OCCC1=O O10840 [1,0,0,1,0,0|2,0,0]=4 667 B7R1.4 C[C@@H]1SCCC1=O AC7518 [1,0,0,1,0,0|2,0,0]=4 668 B7R1.4 C[C@H]1CCCC1=O 29606 [1,0,0,1,0,0|1,0,0]=3 669 B7R1.4 C[C@H]1CCOC1=O D70164 [1,0,0,1,0,0|0,0,0]=2 670 B7R1.4 N[C@H]1CCNC1=O 51275 [1,0,0,1,0,0|2,0,0]=4 671 B7R1.4 N[C@H]1CCNC1=O F31053 [1,0,0,1,0,0|2,0,0]=4 672 B7R1.4 N[C@H]1CCOC1=O 28853 [1,0,0,1,0,0|1,0,0]=3 673 B7R1.4 N[C@H]1CCOC1=O F14759 [1,0,0,1,0,0|1,0,0]=3 674 B7R1.4 N[C@H]1CCOC1=O FD1139 [1,0,0,1,0,0|1,0,0]=3 675 B7R1.4 N[C@H]1CCOC1=O FD1142 [1,0,0,1,0,0|1,0,0]=3 676 B7R1.4 N[C@H]1CCOC1=O W12226 [1,0,0,1,0,0|1,0,0]=3 677 B7R1.4 N[C@H]1CCSC1=O F17227 [1,0,0,1,0,0|1,1,0]=4 678 B7R1.4 O=C1CCC[C@@H]1Cl F10995 [1,0,0,1,0,0|2,0,0]=4 679 B7R1.4 O=C1NCC[C@@H]1O 25307 [1,0,0,1,0,0|2,0,0]=4 680 B7R1.4 O=C1NCC[C@@H]1O 27245 [1,0,0,1,0,0|2,0,0]=4 681 B7R1.4 O=C1NCC[C@@H]1O 68731 [1,0,0,1,0,0|2,0,0]=4 682 B7R1.4 O=C1OCC[C@@H]1Br H10671 [1,0,0,1,0,0|1,0,0]=3 683 B7R1.4 O=C1OCC[C@@H]1O A12215 [1,0,0,1,0,0|1,0,0]=3 684 B7R1.4 O=C1OCC[C@@H]1O T72635 [1,0,0,1,0,0|1,0,0]=3 685 B7R1.6 CCOC1CNC1 25335 [1,0,0,1,0,0|1,0,1]=4 686 B7R1.24 C1CNCCOC1 31105 [1,0,0,1,0,0|1,0,1]=4 687 B9R1.7 CCCC1=CC(=O)OC1 E70333 [0,1,0,1,0,0|0,0,1]=3 688 B9R1.7 CCC[C@@H]1CNC(=O)C1 W17994 [0,1,0,1,0,0|1,0,0]=3 689 B9R1.7 CCC[C@H]1CCC(=O)O1 D90888 [0,1,0,1,0,0|0,0,0]=2 690 B9R1.13 CC(=O)NC1CCCC1 20635 [0,1,0,1,0,0|1,0,0]=3 691 B9R1.13 CC(=O)N[C@H]1CCNC1 50520 [0,1,0,1,0,0|1,0,0]=3 692 B9R1.13 CC(=O)N[C@H]1CCNC1 P16272 [0,1,0,1,0,0|1,0,0]=3 693 B9R1.13 O=C(Cl)OC1CCCC1 35687 [0,1,0,1,0,0|1,0,0]=3 694 B9R1.13 O=C(O)CC1CCCC1 70862 [0,1,0,1,0,0|2,0,0]=4 695 B9R1.13 O=C(O)CN1CCCC1 71481 [0,1,0,1,0,0|2,0,0]=4 696 B9R1.13 O=C(O)CN1CCCC1 F21166 [0,1,0,1,0,0|2,0,0]=4 697 B9R1.13 O=C(O)C[C@H]1CCCN1 22918 [0,1,0,1,0,0|2,0,0]=4 698 B9R1.13 O=C(O)C[C@H]1CCCN1 62961 [0,1,0,1,0,0|2,0,0]=4 699 B9R1.13 O=C(O)C[C@H]1CCNC1 37360 [0,1,0,1,0,0|2,0,0]=4 700 B9R1.13 O=C(O)C[C@H]1CCNC1 50101 [0,1,0,1,0,0|2,0,0]=4 701 B9R1.13 O=C(O)C[C@H]1CCNC1 65588 [0,1,0,1,0,0|2,0,0]=4 702 B9R1.13 O=C(O)C[C@H]1CCOC1 25150 [0,1,0,1,0,0|2,0,0]=4 703 B9R1.34 CC1CC(=O)CC(=O)C1 76314 [0,1,0,1,0,0|1,0,1]=4 704 B9R1.34 CC1CC(=O)CC(C)C1 D89827 [0,1,0,1,0,0|1,0,0]=3 705 B9R1.34 CC1CC(=O)OC(=O)C1 D79206 [0,1,0,1,0,0|0,0,1]=3 706 B9R1.34 CN1CC(=O)OC(=O)C1 D93073 [0,1,0,1,0,0|1,0,1]=4 707 B9R1.41 CC(=O)N1CCCC1=O H11367 [0,1,0,1,0,0|1,0,1]=4 708 B9R1.41 CC1CCCC1C(=O)O 33416 [0,1,0,1,0,0|2,0,0]=4 709 B9R1.41 CN1CCC[C@H]1C(=O)O 28869 [0,1,0,1,0,0|2,0,0]=4 710 B9R1.41 CN1CCC[C@H]1C(=O)O 32214 [0,1,0,1,0,0|2,0,0]=4 711 B9R1.41 CN1CCC[C@H]1C(=O)O 32659 [0,1,0,1,0,0|2,0,0]=4 712 B9R1.41 CN1CCC[C@H]1C(=O)O 35836 [0,1,0,1,0,0|2,0,0]=4 713 B9R1.41 CN1CCC[C@H]1C(=O)O 74862 [0,1,0,1,0,0|2,0,0]=4 714 B9R1.41 CN1CCC[C@H]1C(=O)O 93283 [0,1,0,1,0,0|2,0,0]=4 715 B9R1.41 CN1CCC[C@H]1C(N)=O D83037 [0,1,0,1,0,0|2,0,0]=4 716 B9R1.41 CN1CCC[C@H]1C(N)=O P20756 [0,1,0,1,0,0|2,0,0]=4 717 B9R1.41 NC1CCCC1C(=O)O D94461 [0,1,0,1,0,0|2,0,0]=4 718 B9R1.48 O=C1CCCCC(=O)C1 35108 [0,1,0,1,0,0|1,0,1]=4 719 B9R1.48 O=C1CCCCC(=O)O1 F20518 [0,1,0,1,0,0|0,0,1]=3 720 B9R1.48 O=C1CCCCC(=S)N1 D95361 [0,1,0,1,0,0|1,0,1]=4 721 B9R1.53 CC(=O)O[C@H]1CC(=O)N1 33120 [0,1,0,1,0,0|1,0,1]=4 722 B9R1.66 CC1(C)CC(=O)CCN1 90148 [0,1,0,1,0,0|2,0,0]=4 723 B9R1.66 CC1(C)CC(=O)CCO1 58123 [0,1,0,1,0,0|2,0,0]=4 724 B9R1.66 CC1(C)CCCC(=O)C1 F14897 [0,1,0,1,0,0|1,0,0]=3 725 B9R1.66 CC1(C)C[C@@H](N)CCO1 26980 [0,1,0,1,0,0|1,0,1]=4 726 B9R1.66 C[C@]1(O)CCOC(=O)C1 C76125 [0,1,0,1,0,0|0,0,0]=2 727 B9R1.137 CC(=O)CC(=O)C1CC1 O10401 [0,1,0,1,0,0|1,0,1]=4 728 B9R1.137 N[C@@H](CC(=O)O)C1CC1 31363 [0,1,0,1,0,0|2,0,0]=4 729 B9R1.1 CCC1CCC(=O)CC1 N10368 [0,1,0,1,0,0|1,0,0]=3 730 B9R1.1 CCN1CCC(=O)CC1 77862 [0,1,0,1,0,0|2,0,0]=4 731 B9R1.1 COC1CCC(=O)CC1 23774 [0,1,0,1,0,0|2,0,0]=4 732 B9R1.1 O=C1CCC(CO)CC1 28378 [0,1,0,1,0,0|2,0,0]=4 733 B9R1.5 CN1CCCCCC1=O F20350 [0,1,0,1,0,0|1,0,0]=3 734 B9R1.5 CN1CCNCCC1=O Y10627 [0,1,0,1,0,0|2,0,0]=4 735 B9R1.5 N[C@H]1CCCCNC1=O 36347 [0,1,0,1,0,0|1,0,0]=3 736 B9R1.5 N[C@H]1CCCCNC1=O 52018 [0,1,0,1,0,0|1,0,0]=3 737 B9R1.5 N[C@H]1CCCCNC1=O A56019 [0,1,0,1,0,0|1,0,0]=3 738 B9R1.5 N[C@H]1CCCCNC1=O A56021 [0,1,0,1,0,0|1,0,0]=3 739 B9R1.5 N[C@H]1CCCCNC1=O Y10023 [0,1,0,1,0,0|1,0,0]=3 740 B9R1.11 COC(=O)C1=CCCC1 23248 [0,1,0,1,0,0|1,0,1]=4 741 B9R1.11 COC(=O)C1CCCC1 71026 [0,1,0,1,0,0|1,0,0]=3 742 B9R1.11 COC(=O)[C@@H]1CCCN1 35748 [0,1,0,1,0,0|2,0,0]=4 743 B9R1.11 COC(=O)[C@@H]1CCCN1 F10761 [0,1,0,1,0,0|2,0,0]=4 744 B9R1.11 COC(=O)[C@@H]1CCCN1 F10972 [0,1,0,1,0,0|2,0,0]=4 745 B9R1.11 COC(=O)[C@@H]1CCCO1 D94760 [0,1,0,1,0,0|2,0,0]=4 746 B9R1.11 COC(=O)[C@H]1CCNC1 30340 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.11 COC(=O)[C@H]1CCNC1 63827 [0,1,0,1,0,0|2,0,0]=4 748 B9R1.11 COC(=O)[C@H]1CCNC1 63831 [0,1,0,1,0,0|2,0,0]=4 749 B9R1.11 COC(=O)[C@H]1CCOC1 37312 [0,1,0,1,0,0|2,0,0]=4 750 B9R1.11 O=C(CCl)N1CCCC1 71285 [0,1,0,1,0,0|1,0,0]=3 751 B9R1.49 CN1CCCC(=O)CC1 34283 [0,1,0,1,0,0|2,0,0]=4 752 B9R1.49 CN1CCNC(=O)CC1 64338 [0,1,0,1,0,0|2,0,0]=4 753 B9R1.50 O=C1CCCCCCC1 78195 [0,1,0,1,0,0|1,0,0]=3 754 B9R1.50 O=C1CCCCCCN1 35268 [0,1,0,1,0,0|1,0,0]=3 755 B9R1.50 O=C1CCCCCCO1 D94278 [0,1,0,1,0,0|0,0,0]=2 756 B9R1.79 COC(=O)CC1CNC1 37323 [0,1,0,1,0,0|2,0,0]=4 757 B9R1.79 NCC(=O)NC1CCC1 AB1052 [0,1,0,1,0,0|1,0,0]=3 758 B9R1.80 C=CC(=O)OC[C@H]1CO1 D78471 [0,1,0,1,0,0|1,0,1]=4 759 B9R1.89 COC1=NCCCCC1 78135 [0,1,0,1,0,0|1,0,1]=4 760 B9R1.89 O=NN1CCCCCC1 D93582 [0,1,0,1,0,0|2,0,0]=4 761 B9R1.89 ON=C1CCCCCC1 D89425 [0,1,0,1,0,0|1,0,1]=4 762 B9R1.118 CC1(C=O)CCCCC1 BL001447 [0,1,0,1,0,0|1,0,1]=4 763 B9R1.6 CC(=O)C1CCCCC1 P10040 [0,1,0,1,0,0|1,0,0]=3 764 B9R1.6 CC(=O)C1CCNCC1 25527 [0,1,0,1,0,0|1,0,0]=3 765 B9R1.6 CC(=O)C1CCOCC1 53199 [0,1,0,1,0,0|1,0,0]=3 766 B9R1.6 CC(=O)N1CCCCC1 S12042 [0,1,0,1,0,0|1,0,0]=3 767 B9R1.6 CC(=O)N1CCNCC1 75167 [0,1,0,1,0,0|1,0,0]=3 768 B9R1.6 CC(=O)N1CCOCC1 C10101 [0,1,0,1,0,0|1,0,0]=3 769 B9R1.6 CC(=O)[C@@H]1CCCCN1 W15841 [0,1,0,1,0,0|1,0,0]=3 770 B9R1.6 NC(=O)C1CCCCC1 78531 [0,1,0,1,0,0|2,0,0]=4 771 B9R1.6 NC(=O)C1CCNCC1 39421 [0,1,0,1,0,0|2,0,0]=4 772 B9R1.6 NC(=O)C1CCOCC1 BL008091 [0,1,0,1,0,0|2,0,0]=4 773 B9R1.6 NC(=O)N1CCNCC1 C15836 [0,1,0,1,0,0|2,0,0]=4 774 B9R1.6 NC(=O)[C@@H]1CCCCN1 39419 [0,1,0,1,0,0|2,0,0]=4 775 B9R1.6 NC(=O)[C@@H]1CNCCO1 W13721 [0,1,0,1,0,0|2,0,0]=4 776 B9R1.6 NC(=O)[C@H]1CCCNC1 34666 [0,1,0,1,0,0|2,0,0]=4 777 B9R1.6 NC(=O)[C@H]1CCCNC1 37192 [0,1,0,1,0,0|2,0,0]=4 778 B9R1.6 NC(=O)[C@H]1CCCNC1 AB2972 [0,1,0,1,0,0|2,0,0]=4 779 B9R1.6 O=C(Cl)C1CCOCC1 F12379 [0,1,0,1,0,0|2,0,0]=4 780 B9R1.6 O=C(Cl)N1CCCCC1 F14628 [0,1,0,1,0,0|2,0,0]=4 781 B9R1.6 O=C(Cl)N1CCOCC1 FD10526 [0,1,0,1,0,0|2,0,0]=4 782 B9R1.6 O=C(O)C1=CCCCC1 22410 [0,1,0,1,0,0|2,0,0]=4 783 B9R1.6 O=C(O)C1=CCCCO1 S11489 [0,1,0,1,0,0|1,0,1]=4 784 B9R1.6 O=C(O)C1CCCCC1 P17799 [0,1,0,1,0,0|2,0,0]=4 785 B9R1.6 O=C(O)C1CCNCC1 AB2970 [0,1,0,1,0,0|2,0,0]=4 786 B9R1.6 O=C(O)C1CCNCC1 O12044 [0,1,0,1,0,0|2,0,0]=4 787 B9R1.6 O=C(O)C1CCOCC1 66534 [0,1,0,1,0,0|2,0,0]=4 788 B9R1.6 O=C(O)[C@@H]1CCCCN1 24951 [0,1,0,1,0,0|2,0,0]=4 789 B9R1.6 O=C(O)[C@@H]1CCCCN1 39420 [0,1,0,1,0,0|2,0,0]=4 790 B9R1.6 O=C(O)[C@@H]1CCCCN1 65236 [0,1,0,1,0,0|2,0,0]=4 791 B9R1.6 O=C(O)[C@@H]1CCCCN1 69549 [0,1,0,1,0,0|2,0,0]=4 792 B9R1.6 O=C(O)[C@@H]1CCCCN1 69551 [0,1,0,1,0,0|2,0,0]=4 793 B9R1.6 O=C(O)[C@@H]1CCCCN1 78208 [0,1,0,1,0,0|2,0,0]=4 794 B9R1.6 O=C(O)[C@@H]1CCCCO1 29454 [0,1,0,1,0,0|1,0,0]=3 795 B9R1.6 O=C(O)[C@@H]1CNCCO1 29628 [0,1,0,1,0,0|2,0,0]=4 796 B9R1.6 O=C(O)[C@@H]1CNCCO1 50551 [0,1,0,1,0,0|2,0,0]=4 797 B9R1.6 O=C(O)[C@@H]1COCCO1 F16389 [0,1,0,1,0,0|2,0,0]=4 798 B9R1.6 O=C(O)[C@H]1CCCNC1 24456 [0,1,0,1,0,0|2,0,0]=4 799 B9R1.6 O=C(O)[C@H]1CCCNC1 29863 [0,1,0,1,0,0|2,0,0]=4 800 B9R1.6 O=C(O)[C@H]1CCCNC1 64551 [0,1,0,1,0,0|2,0,0]=4 801 B9R1.6 O=C(O)[C@H]1CCCNC1 64552 [0,1,0,1,0,0|2,0,0]=4 802 B9R1.6 O=C(O)[C@H]1CCCNC1 64555 [0,1,0,1,0,0|2,0,0]=4 803 B9R1.6 O=C(O)[C@H]1CCCOC1 85695 [0,1,0,1,0,0|2,0,0]=4 804 B9R1.23 CN1C[C@@H](CO)CC1=O P17084 [0,1,0,1,0,0|2,0,0]=4 805 B9R1.35 CC(=O)N1CC[C@H](N)C1 30699 [0,1,0,1,0,0|1,0,0]=3 806 B9R1.35 CC(=O)N1CC[C@H](O)C1 AB3001 [0,1,0,1,0,0|1,0,0]=3 807 B9R1.35 CC(=O)N1CC[C@H](O)C1 AB3002 [0,1,0,1,0,0|1,0,0]=3 808 B9R1.35 CC(=O)N1CC[C@H](O)C1 AB3003 [0,1,0,1,0,0|1,0,0]=3 809 B9R1.35 CC(C)[C@@H]1CNC(=O)C1 P19175 [0,1,0,1,0,0|1,0,0]=3 810 B9R1.35 CC(C)[C@@H]1COC(=O)N1 33734 [0,1,0,1,0,0|1,0,0]=3 811 B9R1.35 CC(C)[C@@H]1COC(=O)N1 TD8068 [0,1,0,1,0,0|1,0,0]=3 812 B9R1.35 CC(C)[C@@H]1COC(=O)N1 W10689 [0,1,0,1,0,0|1,0,0]=3 813 B9R1.35 NC1CCC(C(=O)O)C1 31351 [0,1,0,1,0,0|2,0,0]=4 814 B9R1.35 NC1CCC(C(=O)O)C1 38978 [0,1,0,1,0,0|2,0,0]=4 815 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 73672 [0,1,0,1,0,0|2,0,0]=4 816 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 F16405 [0,1,0,1,0,0|2,0,0]=4 817 B9R1.69 CC1CCC(=O)CC1C 90794 [0,1,0,1,0,0|1,0,0]=3 818 B9R1.69 CN1CC[C@H](N)CC1=O 37085 [0,1,0,1,0,0|2,0,0]=4 819 B9R1.110 N[C@H](C(=O)O)C1CCC1 67424 [0,1,0,1,0,0|2,0,0]=4 820 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51300 [0,1,0,1,0,0|2,0,0]=4 821 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51301 [0,1,0,1,0,0|2,0,0]=4 822 B9R1.163 NC(=O)C1(N)CCCC1 21133 [0,1,0,1,0,0|2,0,0]=4 823 B9R1.163 NC(=O)C1(N)CCCC1 F10420 [0,1,0,1,0,0|2,0,0]=4 824 B9R1.163 NC1(C(=O)O)CCCC1 FD1031 [0,1,0,1,0,0|2,0,0]=4 825 B9R1.163 O=C(O)C1(O)CCCC1 RB3239 [0,1,0,1,0,0|2,0,0]=4 826 B9R1.114 CS(=O)(=O)OC1COC1 CS2220 [0,1,0,1,0,0|2,0,0]=4 827 B9R2.109 O=C1CCCC2OC12 AB10163 [0,0,0,2,0,0|2,0,0]=4