0 B7R0.3 C#C[C@@H](O)CCCC D90876 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.3 C=CC(=O)NCCN S10694 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.3 C=CC(=O)NCCO D78367 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.3 C=CC(=O)OCCO D78194 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.3 C=CCOC(=O)OC H10625 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.3 CCCCC(=O)CC D90783 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.3 CCCCC(=O)NN 74164 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.3 CCCC[C@H](Br)CBr D93164 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.3 CCCC[C@H](N)CO A11352 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.3 CCCC[C@H](N)CO N12322 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.3 CCCC[C@H](O)CO F11270 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.3 CCCOC(=O)OC D83836 [0,0,0,0,0,0|1,0,0]=1 12 B7R0.3 CC\C=C\C(=O)OC S12000 [0,0,0,0,0,0|0,0,2]=2 13 B7R0.3 CNCCC(=O)NC 30723 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.3 CNCCC(=O)OC 32388 [0,0,0,0,0,0|1,0,0]=1 15 B7R0.3 COC(=O)CCC#N 82641 [0,0,0,0,0,0|1,0,1]=2 16 B7R0.3 COC(=O)CCC=O 63110 [0,0,0,0,0,0|1,0,1]=2 17 B7R0.3 COC(=O)CCCBr S11981 [0,0,0,0,0,0|1,0,0]=1 18 B7R0.3 COC(=O)CCCCl 28856 [0,0,0,0,0,0|1,0,0]=1 19 B7R0.3 COC(=O)CCCN 64233 [0,0,0,0,0,0|1,0,0]=1 20 B7R0.3 COC(=O)CN=[N+]=[N-] V10130 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.3 COC(=O)CNC=O C10698 [0,0,0,0,0,0|2,0,1]=3 22 B7R0.3 COC(=O)\C=C\CBr F11439 [0,0,0,0,0,0|1,0,2]=3 23 B7R0.3 COC(=O)\C=C\CBr O11933 [0,0,0,0,0,0|1,0,2]=3 24 B7R0.3 CO\C=C\C(=O)OC D73879 [0,0,0,0,0,0|1,0,2]=3 25 B7R0.3 CO\C=C\C(=O)OC O11915 [0,0,0,0,0,0|1,0,2]=3 26 B6R0.1 C#CC(=O)OCC 35931 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.1 C=CC(=O)NCC AB9195 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.1 C=CCC(=O)OC F15018 [1,0,0,0,0,0|0,0,2]=3 29 B6R0.1 CC#CC(=O)OC D73343 [1,0,0,0,0,0|0,0,2]=3 30 B6R0.1 CCC(=O)CC#N 28991 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.1 CCCC(=O)CC D90801 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.1 CCCC(=O)NN O11707 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.1 CCCC(=O)SC D91533 [1,0,0,0,0,0|0,1,0]=2 34 B6R0.1 CCC[C@@H](Cl)CC D76318 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.1 CCOC(=N)CC W15737 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.1 CCOC(=O)CN C93496 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.1 CCOC(=O)CO 39380 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.1 CCOC(=O)CS F21271 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.1 CCOC(=O)NC D91332 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.1 CCOC(=O)NN D77690 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.1 CCOC(=O)OC A11149 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.1 CNC(=O)CC#N 23669 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.1 CNCC(=O)NC 71568 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.1 CNCC(=O)OC 73733 [1,0,0,0,0,0|1,0,0]=2 45 B6R0.1 COC(=O)C#CBr O11909 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.1 COC(=O)CC#N D77797 [1,0,0,0,0,0|1,0,1]=3 47 B6R0.1 COC(=O)CCBr AB7483 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.1 COC(=O)CCCl D95821 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.1 COC(=O)CCN S12362 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.1 COC(=O)CCO 29940 [1,0,0,0,0,0|1,0,0]=2 51 B6R0.1 COC(=O)CCS D70327 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.1 COC(=O)CSC D87959 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.1 COC(=O)\C=C/I C75918 [1,0,0,0,0,0|1,0,2]=4 54 B6R0.1 COCC(=O)NN F14662 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.1 CONC(=O)OC D81547 [1,0,0,0,0,0|2,0,0]=3 56 B6R0.1 CO[C@@H](C)CCO D77758 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.1 C\C=C\C(=O)CC 74326 [1,0,0,0,0,0|1,0,2]=4 58 B6R0.1 [C-]#[N+]CC(=O)OC 29044 [1,0,0,0,0,0|1,0,1]=3 59 B6R0.4 C#CCCC(=O)O 90045 [1,0,0,0,0,0|0,0,2]=3 60 B6R0.4 C#CCOC(C)=O 36884 [1,0,0,0,0,0|1,0,2]=4 61 B6R0.4 C=C(C)CNCC D95542 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.4 C=CCCC(=O)O O12040 [1,0,0,0,0,0|0,0,2]=3 63 B6R0.4 CC(=O)CCCCl D77754 [1,0,0,0,0,0|1,0,0]=2 64 B6R0.4 CC(=O)CCCO 24602 [1,0,0,0,0,0|1,0,0]=2 65 B6R0.4 CC(=O)NCCN D70867 [1,0,0,0,0,0|2,0,0]=3 66 B6R0.4 CC(=O)NCCO FD10637 [1,0,0,0,0,0|2,0,0]=3 67 B6R0.4 CC(=O)NCCS AT13754 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.4 CC(=O)OCCBr C10198 [1,0,0,0,0,0|2,0,0]=3 69 B6R0.4 CC(=O)OCCCl D88201 [1,0,0,0,0,0|2,0,0]=3 70 B6R0.4 CC(=O)OCCO D88371 [1,0,0,0,0,0|2,0,0]=3 71 B6R0.4 CC(C)=CCCBr F19983 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.4 CC(C)CCCBr O10389 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.4 CC(C)CCCO F20439 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.4 CCC#CC(=O)O D84135 [1,0,0,0,0,0|0,0,2]=3 75 B6R0.4 CCCCB(O)O 33151 [1,0,0,0,0,0|1,0,1]=3 76 B6R0.4 CCCCC(=N)N 31933 [1,0,0,0,0,0|2,0,0]=3 77 B6R0.4 CCCCC(=N)N W16181 [1,0,0,0,0,0|2,0,0]=3 78 B6R0.4 CCCCC(=O)[O-] F16484 [1,0,0,0,0,0|0,0,1]=2 79 B6R0.4 CCCCC(N)=O A10835 [1,0,0,0,0,0|1,0,0]=2 80 B6R0.4 CCCNC(C)=O D97464 [1,0,0,0,0,0|1,0,0]=2 81 B6R0.4 CCCNC(N)=S D86341 [1,0,0,0,0,0|2,1,0]=4 82 B6R0.4 CCCOC(=S)[S-] D91970 [1,0,0,0,0,0|1,2,0]=4 83 B6R0.4 CCCOC(N)=O F16337 [1,0,0,0,0,0|2,0,0]=3 84 B6R0.4 CCCSC(C)=O D92148 [1,0,0,0,0,0|1,0,0]=2 85 B6R0.4 CCOCC(C)C D93520 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.4 CCSCC(=O)O D95699 [1,0,0,0,0,0|1,0,0]=2 87 B6R0.4 CC\C=C\C(=O)O D72497 [1,0,0,0,0,0|0,0,2]=3 88 B6R0.4 CC\C=C\C(=O)O P17755 [1,0,0,0,0,0|0,0,2]=3 89 B6R0.4 CN(C)CCCBr 25428 [1,0,0,0,0,0|3,0,0]=4 90 B6R0.4 CN(C)CCCCl 23626 [1,0,0,0,0,0|3,0,0]=4 91 B6R0.4 CN(C)CCCCl AC7814 [1,0,0,0,0,0|3,0,0]=4 92 B6R0.4 CN(C)CCCS D93440 [1,0,0,0,0,0|3,0,0]=4 93 B6R0.4 CNCCC(=O)O 29150 [1,0,0,0,0,0|1,0,0]=2 94 B6R0.4 CNCCC(=O)O C76064 [1,0,0,0,0,0|1,0,0]=2 95 B6R0.4 CNCCN(C)C 20029 [1,0,0,0,0,0|3,0,0]=4 96 B6R0.4 CNCCN(C)C 24589 [1,0,0,0,0,0|3,0,0]=4 97 B6R0.4 COCCC(=N)N W16180 [1,0,0,0,0,0|3,0,0]=4 98 B6R0.4 COCCC(=O)O F14687 [1,0,0,0,0,0|1,0,0]=2 99 B6R0.4 COCCN(C)C A11162 [1,0,0,0,0,0|3,0,0]=4 100 B6R0.4 CO\C=C\C(C)=O D78013 [1,0,0,0,0,0|1,0,2]=4 101 B6R0.4 CO\C=C\C(C)=O F50213 [1,0,0,0,0,0|1,0,2]=4 102 B6R0.4 CSCCC(=O)O D87669 [1,0,0,0,0,0|1,0,0]=2 103 B6R0.4 CSCCC(C)=O D91573 [1,0,0,0,0,0|1,0,0]=2 104 B6R0.4 CSCOC(C)=O D88428 [1,0,0,0,0,0|2,0,0]=3 105 B6R0.4 C[C@H](Br)CCCBr F14613 [1,0,0,0,0,0|2,0,1]=4 106 B6R0.4 C[C@H](O)CCCO 22874 [1,0,0,0,0,0|1,0,2]=4 107 B6R0.4 C\C=C\CC(=O)O D92067 [1,0,0,0,0,0|0,0,2]=3 108 B6R0.4 N#CCCC(=O)O 81998 [1,0,0,0,0,0|1,0,1]=3 109 B6R0.4 NC(=O)NCCO C10765 [1,0,0,0,0,0|3,0,0]=4 110 B6R0.4 NCCCC(=O)O D70585 [1,0,0,0,0,0|1,0,0]=2 111 B6R0.4 NCCNC(N)=O D83060 [1,0,0,0,0,0|3,0,0]=4 112 B6R0.4 O=C(Cl)CCCBr P19996 [1,0,0,0,0,0|2,0,0]=3 113 B6R0.4 O=C(Cl)OCCCl AT19702 [1,0,0,0,0,0|3,0,0]=4 114 B6R0.4 O=C(O)C#CCO 25830 [1,0,0,0,0,0|1,0,2]=4 115 B6R0.4 O=C(O)CCCBr 20498 [1,0,0,0,0,0|1,0,0]=2 116 B6R0.4 O=C(O)CCCCl F19286 [1,0,0,0,0,0|1,0,0]=2 117 B6R0.4 O=C(O)CCCS F20547 [1,0,0,0,0,0|1,0,0]=2 118 B6R0.4 O=C(O)\C=C\CBr 84952 [1,0,0,0,0,0|1,0,2]=4 119 B6R0.4 O=CNCC(=O)O AC8948 [1,0,0,0,0,0|2,0,1]=4 120 B6R0.6 CCCC=CC=O D78252 [1,0,0,0,0,0|2,0,1]=4 121 B6R0.6 CCCCCCI F20355 [1,0,0,0,0,0|2,0,1]=4 122 B6R0.6 CCCCCCN F19564 [1,0,0,0,0,0|2,0,1]=4 123 B6R0.6 CCCCCNC D91584 [1,0,0,0,0,0|1,0,1]=3 124 B6R0.6 CCCCN=C=S D91107 [1,0,0,0,0,0|3,0,0]=4 125 B6R0.6 CCCNCCC D89745 [1,0,0,0,0,0|2,0,1]=4 126 B6R0.6 CCC\C=C\CO D78301 [1,0,0,0,0,0|2,0,1]=4 127 B6R0.6 CCNCCCN D82016 [1,0,0,0,0,0|3,0,0]=4 128 B6R0.6 CCNCCCO 31655 [1,0,0,0,0,0|3,0,0]=4 129 B6R0.6 CCNCCOC H11999 [1,0,0,0,0,0|1,0,1]=3 130 B6R0.6 CCOCCCCl D95770 [1,0,0,0,0,0|3,0,0]=4 131 B6R0.6 CCOCCCO D95933 [1,0,0,0,0,0|3,0,0]=4 132 B6R0.6 CC\C=C/CCO 73722 [1,0,0,0,0,0|2,0,1]=4 133 B6R0.6 CNCCCCO F10210 [1,0,0,0,0,0|2,0,1]=4 134 B6R0.6 COCCCCBr F13727 [1,0,0,0,0,0|1,0,1]=3 135 B6R0.6 COCCCCCl 28715 [1,0,0,0,0,0|1,0,1]=3 136 B6R0.6 COCCCCO D78159 [1,0,0,0,0,0|1,0,1]=3 137 B6R0.6 COCCOCCl H11303 [1,0,0,0,0,0|2,0,1]=4 138 B6R0.6 COCOCOC 75328 [1,0,0,0,0,0|2,0,1]=4 139 B6R0.6 C[NH2+]CCC[NH2+]C D90229 [1,0,0,0,0,0|2,0,1]=4 140 B8R0.1 C#CCCC(=O)OCC 90044 [0,1,0,0,0,0|0,0,2]=3 141 B8R0.1 C=CCCC(=O)OCC H10612 [0,1,0,0,0,0|0,0,2]=3 142 B8R0.1 CCC#CC(=O)OCC AB21618 [0,1,0,0,0,0|0,0,2]=3 143 B8R0.1 CCOC(=O)CCCBr F11167 [0,1,0,0,0,0|1,0,0]=2 144 B8R0.1 CCOC(=O)CCCI 74907 [0,1,0,0,0,0|1,0,0]=2 145 B8R0.1 CCOC(=O)CCCN 20516 [0,1,0,0,0,0|1,0,0]=2 146 B8R0.1 CCOC(=O)CCNC 30981 [0,1,0,0,0,0|1,0,0]=2 147 B8R0.1 CCOC(=O)CCOC D91424 [0,1,0,0,0,0|1,0,0]=2 148 B8R0.1 CCOC(=O)CCSC D90571 [0,1,0,0,0,0|1,0,0]=2 149 B8R0.1 CCOC(=O)CN=C=O AC9274 [0,1,0,0,0,0|2,0,1]=4 150 B8R0.1 CCOC(=O)CN=C=S D91182 [0,1,0,0,0,0|2,0,1]=4 151 B8R0.1 CCOC(=O)CNC=O FD21624 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.1 CCOC(=O)NCCCl 61494 [0,1,0,0,0,0|2,0,0]=3 153 B8R0.1 CCOC(=O)\C=C\CBr 12202 [0,1,0,0,0,0|1,0,2]=4 154 B8R0.1 CCOCC(=O)OCC D81905 [0,1,0,0,0,0|1,0,0]=2 155 B8R0.3 CCCC(=O)N(C)OC F19920 [0,1,0,0,0,0|2,0,1]=4 156 B8R0.3 CCC[C@H](C)C(=O)OC D92993 [0,1,0,0,0,0|0,0,0]=1 157 B8R0.3 CCC[C@H](N)C(=O)OC 64049 [0,1,0,0,0,0|0,0,0]=1 158 B8R0.3 CCC[C@H](N)C(=O)OC D83467 [0,1,0,0,0,0|0,0,0]=1 159 B8R0.3 CCOC(=O)C(=O)CC RB3244 [0,1,0,0,0,0|2,0,1]=4 160 B8R0.3 CCOC(=O)C(=O)NC W11374 [0,1,0,0,0,0|2,0,1]=4 161 B8R0.3 COC(=O)[C@@H](Br)CCBr 61732 [0,1,0,0,0,0|1,0,0]=2 162 B8R0.3 COC(=O)[C@@H](C)CCCl D89391 [0,1,0,0,0,0|1,0,0]=2 163 B8R0.3 COC[C@H](Br)C(=O)OC A10668 [0,1,0,0,0,0|1,0,0]=2 164 B8R0.6 C#CCCCC(=O)OC C90747 [0,1,0,0,0,0|0,0,1]=2 165 B8R0.6 C=CC(=O)CCCCC D71008 [0,1,0,0,0,0|1,0,1]=3 166 B8R0.6 C=CC(=O)NCCCC D82024 [0,1,0,0,0,0|1,0,1]=3 167 B8R0.6 C=CCCCC(=O)OC H11902 [0,1,0,0,0,0|0,0,1]=2 168 B8R0.6 CCCCC[C@@H](O)CC D78240 [0,1,0,0,0,0|1,0,2]=4 169 B8R0.6 CCCCNC(=O)CC D88679 [0,1,0,0,0,0|1,0,0]=2 170 B8R0.6 CCCCNC(=O)CCl 23765 [0,1,0,0,0,0|2,0,0]=3 171 B8R0.6 CCCCOC(=O)CN F52077 [0,1,0,0,0,0|2,0,0]=3 172 B8R0.6 CCCCOC(=O)CO D70201 [0,1,0,0,0,0|2,0,0]=3 173 B8R0.6 CCC\C=C\C(=O)OC 28979 [0,1,0,0,0,0|0,0,1]=2 174 B8R0.6 CCC\C=C\C(=O)OC AC7684 [0,1,0,0,0,0|0,0,1]=2 175 B8R0.6 CCNCCC(=O)OC 31591 [0,1,0,0,0,0|0,0,0]=1 176 B8R0.6 CC\C=C\CC(=O)OC D93382 [0,1,0,0,0,0|0,0,1]=2 177 B8R0.6 CNCCCC(=O)OC AB9747 [0,1,0,0,0,0|0,0,0]=1 178 B8R0.6 COC(=O)CCCC#N 32622 [0,1,0,0,0,0|0,0,1]=2 179 B8R0.6 COC(=O)CCCCBr 76669 [0,1,0,0,0,0|0,0,0]=1 180 B8R0.6 COC(=O)CCCCCl D75917 [0,1,0,0,0,0|0,0,0]=1 181 B8R0.6 COC(=O)CCCCN 76218 [0,1,0,0,0,0|0,0,0]=1 182 B8R0.6 COC(=O)COCCCl 39408 [0,1,0,0,0,0|1,0,0]=2 183 B8R0.6 COCCCC(=O)OC F14920 [0,1,0,0,0,0|0,0,0]=1 184 B8R0.6 C\C=C\C=C\C(=O)OC H10763 [0,1,0,0,0,0|0,0,3]=4 185 B8R0.8 C=C(C)C(=O)NCCO A51143 [0,1,0,0,0,0|3,0,0]=4 186 B8R0.8 C=C(C)C(=O)OCCN 77919 [0,1,0,0,0,0|3,0,0]=4 187 B8R0.8 C=C(C)C(=O)OCCO D70640 [0,1,0,0,0,0|3,0,0]=4 188 B8R0.8 CC(C)C(=O)NCCN D86303 [0,1,0,0,0,0|3,0,0]=4 189 B8R0.8 CCCCC(=O)C(C)C D91376 [0,1,0,0,0,0|1,0,0]=2 190 B8R0.8 CCCOC(=O)[C@H](C)O D91251 [0,1,0,0,0,0|2,0,0]=3 191 B8R0.8 C[C@H](O)C(=O)NCCO D90852 [0,1,0,0,0,0|3,0,0]=4 192 B8R0.9 CC(C)CNC(=O)CCl F20035 [0,1,0,0,0,0|3,0,0]=4 193 B8R0.9 CCC(=O)CCC(=O)O D93322 [0,1,0,0,0,0|2,0,1]=4 194 B8R0.9 CCC(=O)NCC(C)C AC2518 [0,1,0,0,0,0|2,0,0]=3 195 B8R0.9 COC(=O)CCC(=O)Cl S11982 [0,1,0,0,0,0|1,0,1]=3 196 B8R0.9 COC(=O)CCC(=O)O 73736 [0,1,0,0,0,0|1,0,1]=3 197 B8R0.9 COC(=O)CCC(C)=O H11992 [0,1,0,0,0,0|0,0,1]=2 198 B8R0.9 COC(=O)CCC(N)=O D92260 [0,1,0,0,0,0|1,0,1]=3 199 B8R0.9 COC(=O)CCN(C)C 32618 [0,1,0,0,0,0|1,0,0]=2 200 B8R0.9 COC(=O)CC[S@](=O)[O-] F16696 [0,1,0,0,0,0|2,0,0]=3 201 B8R0.9 COC(=O)NCC(=O)O S10575 [0,1,0,0,0,0|2,0,1]=4 202 B8R0.11 CCCCN(CC)CC D94767 [0,1,0,0,0,0|3,0,0]=4 203 B8R0.11 CCCC[C@H](CC)CBr D77662 [0,1,0,0,0,0|2,0,1]=4 204 B8R0.11 CCCC[C@H](CC)CCl D89423 [0,1,0,0,0,0|2,0,1]=4 205 B8R0.11 CCCC[C@H](CC)CN D90440 [0,1,0,0,0,0|2,0,1]=4 206 B8R0.11 CCCC[C@H](CC)CO D72516 [0,1,0,0,0,0|1,0,2]=4 207 B8R0.11 CCCC[C@H](CC)CS D90586 [0,1,0,0,0,0|1,1,1]=4 208 B8R0.11 COC(CCCCl)OC 40304 [0,1,0,0,0,0|1,0,2]=4 209 B8R0.11 COC(CCCN)OC D77943 [0,1,0,0,0,0|1,0,2]=4 210 B8R0.19 CCC(=O)CC(=O)CC O11824 [0,1,0,0,0,0|1,0,1]=3 211 B8R0.19 CCC(=O)CC(=O)OC AC7866 [0,1,0,0,0,0|0,0,1]=2 212 B8R0.19 CN\C(C)=C\C(=O)OC C12462 [0,1,0,0,0,0|1,0,2]=4 213 B8R0.19 COC(=O)CC(=O)CCl S12341 [0,1,0,0,0,0|1,0,1]=3 214 B8R0.19 COC(=O)CC(=O)OC D72530 [0,1,0,0,0,0|1,0,1]=3 215 B8R0.19 COC(=O)OC(=O)OC D95912 [0,1,0,0,0,0|2,0,1]=4 216 B8R1.1 C=C[C@@H]1COC(=O)O1 D92787 [0,0,0,1,0,0|1,0,2]=4 217 B8R1.1 CC[C@H]1CCC(=O)O1 AC2069 [0,0,0,1,0,0|2,0,0]=3 218 B8R1.1 N#C[C@H]1CCC(=O)C1 72729 [0,0,0,1,0,0|2,0,1]=4 219 B8R1.1 NC[C@H]1CCC(=O)N1 29046 [0,0,0,1,0,0|3,0,0]=4 220 B8R1.1 O=C1C=C(CBr)CO1 AC1838 [0,0,0,1,0,0|1,0,2]=4 221 B8R1.1 O=C1CC[C@H](CBr)N1 54799 [0,0,0,1,0,0|3,0,0]=4 222 B8R1.1 O=C1CC[C@H](CBr)N1 FD1199 [0,0,0,1,0,0|3,0,0]=4 223 B8R1.1 O=C1CC[C@H](CO)N1 65450 [0,0,0,1,0,0|3,0,0]=4 224 B8R1.1 O=C1CC[C@H](CO)N1 65451 [0,0,0,1,0,0|3,0,0]=4 225 B8R1.1 O=C1CC[C@H](CO)N1 78078 [0,0,0,1,0,0|3,0,0]=4 226 B8R1.1 O=C1CC[C@H](CO)O1 60100 [0,0,0,1,0,0|3,0,0]=4 227 B8R1.1 O=C1CC[C@H](CO)O1 60102 [0,0,0,1,0,0|3,0,0]=4 228 B8R1.1 O=C1NC[C@H](CCl)O1 74052 [0,0,0,1,0,0|3,0,0]=4 229 B8R1.1 O=C1NC[C@H](CCl)O1 D78281 [0,0,0,1,0,0|3,0,0]=4 230 B8R1.1 O=C1NC[C@H](CO)O1 30493 [0,0,0,1,0,0|3,0,0]=4 231 B8R1.1 O=C1OC[C@H](CO)O1 S12081 [0,0,0,1,0,0|2,0,0]=3 232 B8R1.2 C#CC1=CCCCC1 F14623 [0,0,0,1,0,0|2,0,1]=4 233 B8R1.2 CC[C@H]1CCCCN1 D90478 [0,0,0,1,0,0|2,0,1]=4 234 B8R1.2 COC1CCNCC1 29503 [0,0,0,1,0,0|2,0,1]=4 235 B8R1.2 COC1CCNCC1 30319 [0,0,0,1,0,0|2,0,1]=4 236 B8R1.2 CO[C@H]1CCCNC1 32736 [0,0,0,1,0,0|2,0,1]=4 237 B8R1.2 CO[C@H]1CCCNC1 32744 [0,0,0,1,0,0|2,0,1]=4 238 B8R1.2 CO[C@H]1CCCNC1 37169 [0,0,0,1,0,0|2,0,1]=4 239 B8R1.2 CO[C@H]1CCCNC1 37171 [0,0,0,1,0,0|2,0,1]=4 240 B8R1.2 CO[C@H]1CCCNC1 AB7412 [0,0,0,1,0,0|2,0,1]=4 241 B8R1.2 N#CC1=CCCCC1 D89547 [0,0,0,1,0,0|3,0,0]=4 242 B8R1.2 NO[C@@H]1CCCCO1 FD1322 [0,0,0,1,0,0|1,0,2]=4 243 B8R1.3 CC1=NNC(=O)CC1 20181 [0,0,0,1,0,0|2,0,1]=4 244 B8R1.3 CC1CCC(=O)CC1 P20542 [0,0,0,1,0,0|1,0,0]=2 245 B8R1.3 CN1CCC(=O)CC1 67677 [0,0,0,1,0,0|2,0,0]=3 246 B8R1.3 C[C@H]1CC[C@@H](N)CC1 63819 [0,0,0,1,0,0|2,0,1]=4 247 B8R1.3 C[C@H]1CC[C@H](N)CC1 47228 [0,0,0,1,0,0|2,0,1]=4 248 B8R1.3 C[C@H]1CC[C@H](N)CC1 63820 [0,0,0,1,0,0|2,0,1]=4 249 B8R1.3 NC1CCC(=O)CC1 24439 [0,0,0,1,0,0|2,0,0]=3 250 B8R1.3 N[C@H]1CCC(=O)NC1 P10247 [0,0,0,1,0,0|2,0,0]=3 251 B8R1.3 O=C1CCC(=O)CC1 F11265 [0,0,0,1,0,0|2,0,1]=4 252 B8R1.3 O=C1CCC(O)CC1 24546 [0,0,0,1,0,0|2,0,0]=3 253 B8R1.3 O=C1CC[C@H](O)CN1 62216 [0,0,0,1,0,0|2,0,0]=3 254 B8R1.3 O=C1CC[C@H](O)CN1 62217 [0,0,0,1,0,0|2,0,0]=3 255 B8R1.3 O=C1COC(=O)CO1 F20408 [0,0,0,1,0,0|2,0,1]=4 256 B8R1.5 CC1=NCCCN1C 67669 [0,0,0,1,0,0|3,0,0]=4 257 B8R1.5 CN1CCCNC1=O F13277 [0,0,0,1,0,0|2,0,0]=3 258 B8R1.5 CN1CCNCC1=O 26900 [0,0,0,1,0,0|2,0,0]=3 259 B8R1.5 CN1CCNCC1=O 37505 [0,0,0,1,0,0|2,0,0]=3 260 B8R1.5 C[C@@H]1NCCNC1=O 20377 [0,0,0,1,0,0|3,0,0]=4 261 B8R1.5 C[C@@H]1NCCNC1=O 20378 [0,0,0,1,0,0|3,0,0]=4 262 B8R1.5 C[C@@H]1NCCNC1=O F31149 [0,0,0,1,0,0|3,0,0]=4 263 B8R1.5 C[C@H]1CCCC[C@@H]1N S11914 [0,0,0,1,0,0|2,0,1]=4 264 B8R1.5 C[C@H]1CCCC[C@H]1C D89702 [0,0,0,1,0,0|2,0,1]=4 265 B8R1.5 C[C@H]1CCCNC1=O P10093 [0,0,0,1,0,0|2,0,0]=3 266 B8R1.5 C[C@H]1CNCCC1=O 63757 [0,0,0,1,0,0|2,0,0]=3 267 B8R1.5 C[C@H]1CNCCC1=O 67436 [0,0,0,1,0,0|2,0,0]=3 268 B8R1.5 N[C@H]1CCCNC1=O 23329 [0,0,0,1,0,0|3,0,0]=4 269 B8R1.5 N[C@H]1CCCNC1=O 27952 [0,0,0,1,0,0|3,0,0]=4 270 B8R1.5 N[C@H]1CCCNC1=O 51547 [0,0,0,1,0,0|3,0,0]=4 271 B8R1.5 O=C1CCCCC1=O 57324 [0,0,0,1,0,0|2,0,0]=3 272 B8R1.5 O=C1CCCC[C@@H]1Br 67635 [0,0,0,1,0,0|2,0,0]=3 273 B8R1.5 O=C1CCCC[C@@H]1Cl AC1582 [0,0,0,1,0,0|2,0,0]=3 274 B8R1.5 O=C1CCCC[C@@H]1F W17462 [0,0,0,1,0,0|2,0,0]=3 275 B8R1.5 O=C1CCNC[C@@H]1F 30735 [0,0,0,1,0,0|3,0,0]=4 276 B8R1.5 O=C1CCOC[C@@H]1F SC3231 [0,0,0,1,0,0|3,0,0]=4 277 B8R1.22 C=C1OCCCCO1 A10906 [0,0,0,1,0,0|2,0,0]=3 278 B8R1.22 ClC1CCCCCC1 D81846 [0,0,0,1,0,0|2,0,1]=4 279 B8R1.22 NC1CCCCCC1 F19821 [0,0,0,1,0,0|2,0,1]=4 280 B8R1.22 O=C1C=CCCCC1 S10329 [0,0,0,1,0,0|1,0,1]=3 281 B8R1.22 O=C1CCCCCN1 D70254 [0,0,0,1,0,0|1,0,0]=2 282 B8R1.22 O=C1CCCCCO1 D70255 [0,0,0,1,0,0|0,0,0]=1 283 B8R1.22 O=C1CCCNCC1 VT1100 [0,0,0,1,0,0|2,0,0]=3 284 B8R1.22 O=C1CCNCCN1 23498 [0,0,0,1,0,0|2,0,0]=3 285 B8R1.22 O=C1CCOCCN1 F13212 [0,0,0,1,0,0|2,0,0]=3 286 B8R1.22 O=C1CCSCCN1 W16383 [0,0,0,1,0,0|2,0,0]=3 287 B8R1.22 O=C1CNCCCN1 71619 [0,0,0,1,0,0|2,0,0]=3 288 B8R1.22 O=C1CNCCCN1 86465 [0,0,0,1,0,0|2,0,0]=3 289 B8R1.22 OC1CCCCCC1 D89285 [0,0,0,1,0,0|1,0,2]=4 290 B8R1.38 COC(=O)C1CCC1 TD1247 [0,0,0,1,0,0|0,0,0]=1 291 B8R1.38 COC(=O)C1CNC1 27444 [0,0,0,1,0,0|1,0,0]=2 292 B8R1.38 COC(=O)[C@@H]1CCN1 63809 [0,0,0,1,0,0|1,0,0]=2 293 B8R1.38 COC(=O)[C@@H]1CCN1 66102 [0,0,0,1,0,0|1,0,0]=2 294 B8R1.38 NNC(=O)C1CCC1 P10255 [0,0,0,1,0,0|2,0,0]=3 295 B8R1.38 O=C(CBr)C1CCC1 P18349 [0,0,0,1,0,0|2,0,0]=3 296 B8R1.38 O=C(CCl)N1CCC1 71566 [0,0,0,1,0,0|3,0,0]=4 297 B8R1.40 NCC(=O)NC1CC1 AB1061 [0,0,0,1,0,0|3,0,0]=4 298 B8R1.40 O=C(CCl)NC1CC1 F19977 [0,0,0,1,0,0|3,0,0]=4 299 B8R1.50 CC1=C(O)C(=O)CC1 O10798 [0,0,0,1,0,0|2,0,1]=4 300 B8R1.50 CC1C(=O)CCC1=O P10004 [0,0,0,1,0,0|2,0,1]=4 301 B8R1.50 CN1C(=O)CC[C@@H]1O 33572 [0,0,0,1,0,0|2,0,0]=3 302 B8R1.50 C[C@H]1CCC(=O)N1C D86499 [0,0,0,1,0,0|1,0,0]=2 303 B8R1.52 CCC1(O)CCCC1 AC8353 [0,0,0,1,0,0|1,0,2]=4 304 B8R1.52 CC[N+]1(C)CCCC1 D90580 [0,0,0,1,0,0|3,0,0]=4 305 B8R1.52 CC[N+]1(C)CCCC1 RB3140 [0,0,0,1,0,0|3,0,0]=4 306 B5R0.1 C#CCC(=O)O F14007 [2,0,0,0,0,0|0,0,2]=4 307 B5R0.1 C=C(C)CCBr 80247 [2,0,0,0,0,0|2,0,0]=4 308 B5R0.1 C=C(C)OCC 78535 [2,0,0,0,0,0|2,0,0]=4 309 B5R0.1 C=CCC(=O)O H10768 [2,0,0,0,0,0|0,0,2]=4 310 B5R0.1 CC#CC(=O)O 66664 [2,0,0,0,0,0|0,0,2]=4 311 B5R0.1 CC(=O)CC#N 88909 [2,0,0,0,0,0|1,0,1]=4 312 B5R0.1 CC(=O)CCCl F20480 [2,0,0,0,0,0|1,0,0]=3 313 B5R0.1 CC(=O)CCO 55787 [2,0,0,0,0,0|1,0,0]=3 314 B5R0.1 CC(=O)NCO FD10622 [2,0,0,0,0,0|2,0,0]=4 315 B5R0.1 CC(=O)OCBr A12670 [2,0,0,0,0,0|2,0,0]=4 316 B5R0.1 CC(=O)OCCl D78132 [2,0,0,0,0,0|2,0,0]=4 317 B5R0.1 CCCB(O)O 33060 [2,0,0,0,0,0|1,0,1]=4 318 B5R0.1 CCCC(=N)N W10324 [2,0,0,0,0,0|2,0,0]=4 319 B5R0.1 CCCC(=O)[O-] D84277 [2,0,0,0,0,0|0,0,1]=3 320 B5R0.1 CCCC(N)=O D70204 [2,0,0,0,0,0|1,0,0]=3 321 B5R0.1 CCC[C@H](C)N 28967 [2,0,0,0,0,0|1,0,1]=4 322 B5R0.1 CCC[C@H](C)O RB3003 [2,0,0,0,0,0|0,0,2]=4 323 B5R0.1 CCC[C@H](C)O T72186 [2,0,0,0,0,0|0,0,2]=4 324 B5R0.1 CCC[N+](=O)[O-] D97683 [2,0,0,0,0,0|1,0,1]=4 325 B5R0.1 CCNC(C)=O AC2513 [2,0,0,0,0,0|1,0,0]=3 326 B5R0.1 CCNC(N)=O D95291 [2,0,0,0,0,0|2,0,0]=4 327 B5R0.1 CCOC(C)=N D70134 [2,0,0,0,0,0|2,0,0]=4 328 B5R0.1 CCOC(N)=O F21294 [2,0,0,0,0,0|2,0,0]=4 329 B5R0.1 CCSC(C)=O H11301 [2,0,0,0,0,0|1,0,0]=3 330 B5R0.1 CNCC(=O)O 73735 [2,0,0,0,0,0|1,0,0]=3 331 B5R0.1 CNCC(=O)O AC7804 [2,0,0,0,0,0|1,0,0]=3 332 B5R0.1 CNCC(N)=O A11560 [2,0,0,0,0,0|2,0,0]=4 333 B5R0.1 COCC(=O)Cl D78222 [2,0,0,0,0,0|2,0,0]=4 334 B5R0.1 COCC(=O)O D77874 [2,0,0,0,0,0|1,0,0]=3 335 B5R0.1 COCC(C)=O D91400 [2,0,0,0,0,0|1,0,0]=3 336 B5R0.1 COCC(N)=O F20983 [2,0,0,0,0,0|2,0,0]=4 337 B5R0.1 CSCC(=O)O F15988 [2,0,0,0,0,0|1,0,0]=3 338 B5R0.1 CSCC(N)=O 23231 [2,0,0,0,0,0|2,0,0]=4 339 B5R0.1 CSC[S@](C)=O 63104 [2,0,0,0,0,0|2,0,0]=4 340 B5R0.1 C\C=C\C(=O)O RB8002 [2,0,0,0,0,0|0,0,2]=4 341 B5R0.1 C\C=C\C(C)=O F17125 [2,0,0,0,0,0|0,0,2]=4 342 B5R0.1 N#CCC(=O)O P20002 [2,0,0,0,0,0|1,0,1]=4 343 B5R0.1 NC(=O)CCBr C16124 [2,0,0,0,0,0|2,0,0]=4 344 B5R0.1 NCCC(N)=O F13534 [2,0,0,0,0,0|2,0,0]=4 345 B5R0.1 NOCC(=O)O H11929 [2,0,0,0,0,0|2,0,0]=4 346 B5R0.1 O=C(Cl)CCBr D88890 [2,0,0,0,0,0|2,0,0]=4 347 B5R0.1 O=C(O)CCBr P17146 [2,0,0,0,0,0|1,0,0]=3 348 B5R0.1 O=C(O)CCF 71324 [2,0,0,0,0,0|1,0,0]=3 349 B5R0.1 O=C(O)CCI D91073 [2,0,0,0,0,0|1,0,0]=3 350 B5R0.1 O=C(O)CCO 77998 [2,0,0,0,0,0|1,0,0]=3 351 B5R0.1 O=C(O)CCS AT21041 [2,0,0,0,0,0|1,0,0]=3 352 B5R0.2 C#CCCCC 75209 [2,0,0,0,0,0|0,0,2]=4 353 B5R0.2 C=CCCCBr 78391 [2,0,0,0,0,0|1,0,1]=4 354 B5R0.2 C=CCCCCl O11411 [2,0,0,0,0,0|1,0,1]=4 355 B5R0.2 C=CCCCN 68255 [2,0,0,0,0,0|1,0,1]=4 356 B5R0.2 C=CCCCN 86153 [2,0,0,0,0,0|1,0,1]=4 357 B5R0.2 C=CCCCO 76184 [2,0,0,0,0,0|1,0,1]=4 358 B5R0.2 CCCCNN F17594 [2,0,0,0,0,0|2,0,0]=4 359 B5R0.2 CCCCON H11431 [2,0,0,0,0,0|1,0,0]=3 360 B5R0.2 CCCNCC F21346 [2,0,0,0,0,0|1,0,1]=4 361 B5R0.2 CCNCCO 20098 [2,0,0,0,0,0|1,0,1]=4 362 B5R0.2 CC\C=C\C=O 11553 [2,0,0,0,0,0|0,0,2]=4 363 B5R0.2 CNCCCCl F16501 [2,0,0,0,0,0|2,0,0]=4 364 B5R0.2 CNCCCN 37144 [2,0,0,0,0,0|2,0,0]=4 365 B5R0.2 CNCCCO 36133 [2,0,0,0,0,0|1,0,1]=4 366 B5R0.2 CNCCNC 39416 [2,0,0,0,0,0|2,0,0]=4 367 B5R0.2 CNCCOC D70346 [2,0,0,0,0,0|1,0,0]=3 368 B5R0.2 CNCCSC AC2521 [2,0,0,0,0,0|1,1,0]=4 369 B5R0.2 COCCC#N D71223 [2,0,0,0,0,0|1,0,1]=4 370 B5R0.2 COCCCBr F11235 [2,0,0,0,0,0|1,0,0]=3 371 B5R0.2 COCCCCl H11766 [2,0,0,0,0,0|1,0,0]=3 372 B5R0.2 COCCCN D81053 [2,0,0,0,0,0|1,0,0]=3 373 B5R0.2 COCCNN 72234 [2,0,0,0,0,0|2,0,0]=4 374 B5R0.2 COCCOC D81126 [2,0,0,0,0,0|1,0,0]=3 375 B5R0.2 COCCOC D83907 [2,0,0,0,0,0|1,0,0]=3 376 B5R0.2 COCCOC F16635 [2,0,0,0,0,0|1,0,0]=3 377 B5R0.2 COCCON D82747 [2,0,0,0,0,0|2,0,0]=4 378 B5R0.2 CSCCCO 79218 [2,0,0,0,0,0|1,0,1]=4 379 B5R0.2 CSCCC[NH3+] D91382 [2,0,0,0,0,0|1,1,0]=4 380 B5R0.2 C\C=C/CCC D90857 [2,0,0,0,0,0|0,0,1]=3 381 B5R0.2 NCCCCO 51530 [2,0,0,0,0,0|1,0,1]=4 382 B5R0.2 OCCCCBr 54526 [2,0,0,0,0,0|1,0,1]=4 383 B5R0.2 OCCCCCl F11085 [2,0,0,0,0,0|1,0,1]=4 384 B5R0.2 OCCCCI D81265 [2,0,0,0,0,0|1,0,1]=4 385 B5R0.3 C#CC(=O)OC P17723 [2,0,0,0,0,0|0,0,2]=4 386 B5R0.3 CCC(=O)CBr F10475 [2,0,0,0,0,0|2,0,0]=4 387 B5R0.3 CCC(=O)CO C75383 [2,0,0,0,0,0|2,0,0]=4 388 B5R0.3 CCC(=O)NC D91338 [2,0,0,0,0,0|1,0,0]=3 389 B5R0.3 CCC(=O)NN 20641 [2,0,0,0,0,0|2,0,0]=4 390 B5R0.3 CCS(=O)CC D81870 [2,0,0,0,0,0|2,0,0]=4 391 B5R0.3 CNC(=O)CBr H10939 [2,0,0,0,0,0|2,0,0]=4 392 B5R0.3 CNC(=O)CCl 28994 [2,0,0,0,0,0|2,0,0]=4 393 B5R0.3 CNC(=O)CN AC1534 [2,0,0,0,0,0|2,0,0]=4 394 B5R0.3 CNC(=O)CN FD21644 [2,0,0,0,0,0|2,0,0]=4 395 B5R0.3 CNC(=O)NC P17517 [2,0,0,0,0,0|2,0,0]=4 396 B5R0.3 CNC(=O)OC 29564 [2,0,0,0,0,0|1,0,0]=3 397 B5R0.3 COC(=O)CN 20047 [2,0,0,0,0,0|1,0,0]=3 398 B5R0.3 COC(=O)CO 39413 [2,0,0,0,0,0|1,0,0]=3 399 B5R0.3 COC(=O)NN P17509 [2,0,0,0,0,0|2,0,0]=4 400 B5R0.3 COC(=O)SCl D91417 [2,0,0,0,0,0|2,0,0]=4 401 B5R0.3 CSC(=O)SC D89996 [2,0,0,0,0,0|1,1,0]=4 402 B7R0.2 CCC(=O)CC(C)=O 24687 [1,1,0,0,0,0|1,0,1]=4 403 B7R0.2 CCC(=O)CC(C)C D90471 [1,1,0,0,0,0|1,0,0]=3 404 B7R0.2 COC(=O)C=C(C)C F11280 [1,1,0,0,0,0|0,0,2]=4 405 B7R0.2 COC(=O)CC(=O)Cl D78113 [1,1,0,0,0,0|1,0,1]=4 406 B7R0.2 COC(=O)CC(=O)O 36101 [1,1,0,0,0,0|1,0,1]=4 407 B7R0.2 COC(=O)CC(=O)[O-] 20517 [1,1,0,0,0,0|1,0,1]=4 408 B7R0.2 COC(=O)CC(C)=O D70329 [1,1,0,0,0,0|0,0,1]=3 409 B7R0.2 COC(=O)CC(C)C 79108 [1,1,0,0,0,0|0,0,0]=2 410 B7R0.2 COC(=O)CC(N)=O 36581 [1,1,0,0,0,0|1,0,1]=4 411 B7R0.2 COC(=O)CC(N)=S AC2409 [1,1,0,0,0,0|1,0,1]=4 412 B7R0.2 COC(=O)CN(C)C H10578 [1,1,0,0,0,0|1,0,0]=3 413 B7R0.2 COC(=O)C[C@H](C)Br O11908 [1,1,0,0,0,0|0,0,0]=2 414 B7R0.2 COC(=O)C[C@H](C)N 75000 [1,1,0,0,0,0|0,0,0]=2 415 B7R0.2 COC(=O)C[C@H](C)N 75001 [1,1,0,0,0,0|0,0,0]=2 416 B7R0.2 COC(=O)C[C@H](C)N F14792 [1,1,0,0,0,0|0,0,0]=2 417 B7R0.2 COC(=O)C[C@H](C)O AC7720 [1,1,0,0,0,0|0,0,0]=2 418 B7R0.2 COC(=O)C[C@H](C)O C14861 [1,1,0,0,0,0|0,0,0]=2 419 B7R0.2 COC(=O)C[C@H](C)O F15447 [1,1,0,0,0,0|0,0,0]=2 420 B7R0.2 COC(=O)C[N+](=O)[O-] 29521 [1,1,0,0,0,0|2,0,0]=4 421 B7R0.2 COC(=O)\C=C(/C)N 44431 [1,1,0,0,0,0|0,0,2]=4 422 B7R0.2 COC(=O)\C=C(\C)N 28478 [1,1,0,0,0,0|0,0,2]=4 423 B7R0.5 CCCC(=O)C(C)C D91358 [1,1,0,0,0,0|1,0,0]=3 424 B7R0.5 CCOC(=O)C(C)=O D72526 [1,1,0,0,0,0|2,0,0]=4 425 B7R0.5 CCOC(=O)N(C)C A10839 [1,1,0,0,0,0|2,0,0]=4 426 B7R0.5 CCOC(=O)[C@H](C)Br D96513 [1,1,0,0,0,0|2,0,0]=4 427 B7R0.5 CCOC(=O)[C@H](C)F 28664 [1,1,0,0,0,0|2,0,0]=4 428 B7R0.5 CCOC(=O)[C@H](C)F AT11657 [1,1,0,0,0,0|2,0,0]=4 429 B7R0.5 CCOC(=O)[C@H](C)I D90599 [1,1,0,0,0,0|2,0,0]=4 430 B7R0.5 CCOC(=O)[C@H](C)N 75100 [1,1,0,0,0,0|2,0,0]=4 431 B7R0.5 CCOC(=O)[C@H](C)N FD21011 [1,1,0,0,0,0|2,0,0]=4 432 B7R0.5 CCOC(=O)[C@H](C)N FD21071 [1,1,0,0,0,0|2,0,0]=4 433 B7R0.5 CCOC(=O)[C@H](C)O 35087 [1,1,0,0,0,0|2,0,0]=4 434 B7R0.5 CCOC(=O)[C@H](C)S D81899 [1,1,0,0,0,0|2,0,0]=4 435 B7R0.5 CNCC(=O)N(C)C C77998 [1,1,0,0,0,0|2,0,0]=4 436 B7R0.7 C=CCC(=O)OCC 74919 [1,1,0,0,0,0|0,0,2]=4 437 B7R0.7 CC#CC(=O)OCC 33793 [1,1,0,0,0,0|0,0,2]=4 438 B7R0.7 CCCC(=O)OCCl F20378 [1,1,0,0,0,0|0,0,0]=2 439 B7R0.7 CCNC(=O)NCC F11262 [1,1,0,0,0,0|2,0,0]=4 440 B7R0.7 CCOC(=O)CCBr F11254 [1,1,0,0,0,0|1,0,0]=3 441 B7R0.7 CCOC(=O)CCCl D89381 [1,1,0,0,0,0|1,0,0]=3 442 B7R0.7 CCOC(=O)CCI 23721 [1,1,0,0,0,0|1,0,0]=3 443 B7R0.7 CCOC(=O)CCN AC7506 [1,1,0,0,0,0|1,0,0]=3 444 B7R0.7 CCOC(=O)CCO 30936 [1,1,0,0,0,0|1,0,0]=3 445 B7R0.7 CCOC(=O)CCS D87716 [1,1,0,0,0,0|1,0,0]=3 446 B7R0.7 CCOC(=O)CNC 73271 [1,1,0,0,0,0|1,0,0]=3 447 B7R0.7 CCOC(=O)CNN 35068 [1,1,0,0,0,0|2,0,0]=4 448 B7R0.7 CCOC(=O)COC F11239 [1,1,0,0,0,0|1,0,0]=3 449 B7R0.7 CCOC(=O)CSC I10203 [1,1,0,0,0,0|1,0,0]=3 450 B7R0.7 CCOC(=O)OCC D97668 [1,1,0,0,0,0|1,0,0]=3 451 B7R0.7 CCOC(=O)OCCl 23781 [1,1,0,0,0,0|1,0,0]=3 452 B7R0.7 CCO[PH](=O)OCC 28436 [1,1,0,0,0,0|2,0,0]=4 453 B7R0.7 O=C(CCCl)CCCl 35039 [1,1,0,0,0,0|2,0,0]=4 454 B7R0.7 [C-]#[N+]CC(=O)OCC 23174 [1,1,0,0,0,0|1,0,1]=4 455 B7R0.10 C=C(CBr)C(=O)OC 35784 [1,1,0,0,0,0|1,0,1]=4 456 B7R0.10 C=C(CO)C(=O)OC 35969 [1,1,0,0,0,0|1,0,1]=4 457 B7R0.10 CCC(=O)C(=O)CC D90906 [1,1,0,0,0,0|1,0,1]=4 458 B7R0.10 CCC(=O)C(=O)OC F16310 [1,1,0,0,0,0|0,0,1]=3 459 B7R0.10 CCC(=O)[C@@H](O)CC D92050 [1,1,0,0,0,0|1,0,0]=3 460 B7R0.10 CC[C@H](Br)C(=O)OC H11989 [1,1,0,0,0,0|0,0,0]=2 461 B7R0.10 CC[C@H](N)C(=O)OC 63264 [1,1,0,0,0,0|0,0,0]=2 462 B7R0.10 CC[C@H](N)C(=O)OC F11947 [1,1,0,0,0,0|0,0,0]=2 463 B7R0.10 CC[C@H](N)C(=O)OC H10859 [1,1,0,0,0,0|0,0,0]=2 464 B7R0.10 CC[C@H](O)C(=O)OC D94650 [1,1,0,0,0,0|0,0,0]=2 465 B7R0.10 CN[C@@H](C)C(=O)OC D84599 [1,1,0,0,0,0|1,0,0]=3 466 B7R0.10 CN[C@@H](C)C(=O)OC FD21060 [1,1,0,0,0,0|1,0,0]=3 467 B7R0.10 COC(=O)C(=O)CBr O11905 [1,1,0,0,0,0|1,0,1]=4 468 B7R0.10 COC(=O)[C@@H](Br)CBr AB2902 [1,1,0,0,0,0|1,0,0]=3 469 B7R0.10 COC(=O)[C@@H](Br)CO D84458 [1,1,0,0,0,0|1,0,0]=3 470 B7R0.10 COC(=O)[C@@H](C)CBr D70325 [1,1,0,0,0,0|1,0,0]=3 471 B7R0.10 COC(=O)[C@@H](C)CN E72583 [1,1,0,0,0,0|1,0,0]=3 472 B7R0.10 COC(=O)[C@@H](C)CO F12962 [1,1,0,0,0,0|1,0,0]=3 473 B7R0.10 COC(=O)[C@@H](C)CO TD8064 [1,1,0,0,0,0|1,0,0]=3 474 B7R0.10 COC(=O)[C@@H](F)CO 36756 [1,1,0,0,0,0|1,0,0]=3 475 B7R0.10 COC(=O)[C@@H](N)CCl FD3091 [1,1,0,0,0,0|1,0,0]=3 476 B7R0.10 COC(=O)[C@@H](N)CCl O11861 [1,1,0,0,0,0|1,0,0]=3 477 B7R0.10 COC(=O)[C@@H](N)CN D83300 [1,1,0,0,0,0|1,0,0]=3 478 B7R0.10 COC(=O)[C@@H](N)CO 20054 [1,1,0,0,0,0|1,0,0]=3 479 B7R0.10 COC(=O)[C@@H](N)CO 20056 [1,1,0,0,0,0|1,0,0]=3 480 B7R0.10 COC(=O)[C@@H](N)CO 39397 [1,1,0,0,0,0|1,0,0]=3 481 B7R0.10 COC(=O)[C@@H](N)CO AB7436 [1,1,0,0,0,0|1,0,0]=3 482 B7R0.10 COC(=O)[C@@H](N)CS 27842 [1,1,0,0,0,0|1,0,0]=3 483 B7R0.10 COC(=O)[C@@H](N)CS FD21234 [1,1,0,0,0,0|1,0,0]=3 484 B7R0.10 COC(=O)[C@@H](N)CS H10905 [1,1,0,0,0,0|1,0,0]=3 485 B7R0.10 COC(=O)[C@@H](O)CO 24991 [1,1,0,0,0,0|1,0,0]=3 486 B7R0.10 COC(=O)[C@H](C)OC AT18834 [1,1,0,0,0,0|1,0,0]=3 487 B7R0.10 C\C=C(/Br)C(=O)OC 69499 [1,1,0,0,0,0|0,0,2]=4 488 B7R0.4 C#CCCCC(=O)O F14123 [1,1,0,0,0,0|0,0,1]=3 489 B7R0.4 C=CCCCC(=O)O D86337 [1,1,0,0,0,0|0,0,1]=3 490 B7R0.4 C=CCCOC(C)=O 74074 [1,1,0,0,0,0|0,0,2]=4 491 B7R0.4 C=CCNCC(=O)O 54025 [1,1,0,0,0,0|0,0,2]=4 492 B7R0.4 CC(=O)CCCC#N D91224 [1,1,0,0,0,0|0,0,1]=3 493 B7R0.4 CC(=O)CCCCCl D89394 [1,1,0,0,0,0|0,0,0]=2 494 B7R0.4 CC(=O)OCCCCl 22019 [1,1,0,0,0,0|1,0,0]=3 495 B7R0.4 CC(=O)SCCCO D86667 [1,1,0,0,0,0|1,0,0]=3 496 B7R0.4 CC(C)CCCCO D94723 [1,1,0,0,0,0|1,0,1]=4 497 B7R0.4 CCCCCB(O)O 33673 [1,1,0,0,0,0|1,0,1]=4 498 B7R0.4 CCCCCC(=O)[O-] D82015 [1,1,0,0,0,0|0,0,1]=3 499 B7R0.4 CCCCCC(N)=O D89187 [1,1,0,0,0,0|1,0,0]=3 500 B7R0.4 CCCCC[C@H](C)N D90921 [1,1,0,0,0,0|1,0,1]=4 501 B7R0.4 CCCCC[C@H](C)O D83253 [1,1,0,0,0,0|0,0,2]=4 502 B7R0.4 CCCCNC(N)=O D88864 [1,1,0,0,0,0|1,0,0]=3 503 B7R0.4 CCCCNC(N)=S T70321 [1,1,0,0,0,0|1,1,0]=4 504 B7R0.4 CCCCOC(=S)[S-] D82014 [1,1,0,0,0,0|0,2,0]=4 505 B7R0.4 CCCCOC(C)C D93400 [1,1,0,0,0,0|1,0,1]=4 506 B7R0.4 CCCCOC(N)=O D89279 [1,1,0,0,0,0|1,0,0]=3 507 B7R0.4 CCCCSC(C)=O 79049 [1,1,0,0,0,0|0,0,0]=2 508 B7R0.4 CCC\C=C\C(=O)O C10700 [1,1,0,0,0,0|0,0,1]=3 509 B7R0.4 CCC\C=C\C(C)=O F17581 [1,1,0,0,0,0|0,0,1]=3 510 B7R0.4 CCO\C=C\C(=O)O 30211 [1,1,0,0,0,0|0,0,2]=4 511 B7R0.4 CC\C=C\CC(=O)O D82088 [1,1,0,0,0,0|0,0,1]=3 512 B7R0.4 CN(C)CCCCN 76925 [1,1,0,0,0,0|2,0,0]=4 513 B7R0.4 CNCCCC(=O)O 20515 [1,1,0,0,0,0|0,0,0]=2 514 B7R0.4 CNCCCC(=O)O AB7427 [1,1,0,0,0,0|0,0,0]=2 515 B7R0.4 CNCCCN(C)C D94649 [1,1,0,0,0,0|2,0,0]=4 516 B7R0.4 N#CCCCC(=O)O RB3314 [1,1,0,0,0,0|0,0,1]=3 517 B7R0.4 NC(=O)COCCCl F15040 [1,1,0,0,0,0|2,0,0]=4 518 B7R0.4 NCCCCC(=O)O 76219 [1,1,0,0,0,0|0,0,0]=2 519 B7R0.4 NCCCCC(=O)O D78140 [1,1,0,0,0,0|0,0,0]=2 520 B7R0.4 NCCOCC(=O)O AT23391 [1,1,0,0,0,0|1,0,0]=3 521 B7R0.4 O=C(Cl)CCCCBr H11319 [1,1,0,0,0,0|1,0,0]=3 522 B7R0.4 O=C(Cl)CCCCCl D89459 [1,1,0,0,0,0|1,0,0]=3 523 B7R0.4 O=C(Cl)OCCCCl D89474 [1,1,0,0,0,0|2,0,0]=4 524 B7R0.4 O=C(O)CCCCBr 76255 [1,1,0,0,0,0|0,0,0]=2 525 B7R0.4 O=C(O)CCCCCl C10667 [1,1,0,0,0,0|0,0,0]=2 526 B7R0.4 O=C(O)CNCCO AB10154 [1,1,0,0,0,0|1,0,0]=3 527 B7R0.4 O=C(O)COCCCl 29961 [1,1,0,0,0,0|1,0,0]=3 528 B7R0.4 O=C([O-])CCCCO F13839 [1,1,0,0,0,0|0,0,1]=3 529 B7R0.6 C=C(C)CCC(=O)O 80208 [1,1,0,0,0,0|0,0,1]=3 530 B7R0.6 C=C(C)COC(C)=O D88456 [1,1,0,0,0,0|1,0,1]=4 531 B7R0.6 CC(=O)CCC(=O)O D70802 [1,1,0,0,0,0|0,0,1]=3 532 B7R0.6 CC(=O)CCC(=O)[O-] H10799 [1,1,0,0,0,0|0,0,2]=4 533 B7R0.6 CC(=O)CCC(C)=O D71099 [1,1,0,0,0,0|0,0,1]=3 534 B7R0.6 CC(=O)CCN(C)C D82201 [1,1,0,0,0,0|1,0,0]=3 535 B7R0.6 CC(=O)CNC(C)=O 83215 [1,1,0,0,0,0|1,0,1]=4 536 B7R0.6 CC(=O)NCC(=O)O AC8343 [1,1,0,0,0,0|1,0,1]=4 537 B7R0.6 CC(=O)OCC(=O)O D81772 [1,1,0,0,0,0|1,0,1]=4 538 B7R0.6 CC(=O)OCC(F)F F20444 [1,1,0,0,0,0|2,0,0]=4 539 B7R0.6 CC(=O)SCC(=O)O H12044 [1,1,0,0,0,0|1,0,1]=4 540 B7R0.6 CC(C)CCB(O)O D70604 [1,1,0,0,0,0|1,0,1]=4 541 B7R0.6 CC(C)CCC(=O)O 28835 [1,1,0,0,0,0|0,0,0]=2 542 B7R0.6 CC(C)CC[C@H](C)O D91520 [1,1,0,0,0,0|0,0,2]=4 543 B7R0.6 CC(C)\C=C\C(=O)O D91297 [1,1,0,0,0,0|0,0,2]=4 544 B7R0.6 CC(O)CCC(C)O F17534 [1,1,0,0,0,0|0,0,2]=4 545 B7R0.6 CN(C)CCC(=O)O 30383 [1,1,0,0,0,0|1,0,0]=3 546 B7R0.6 CN(C)CCC(=O)O 35949 [1,1,0,0,0,0|1,0,0]=3 547 B7R0.6 C[C@H](O)CC[C@H](C)O T71918 [1,1,0,0,0,0|0,0,2]=4 548 B7R0.6 C[S+](C)CCC(=O)O 74954 [1,1,0,0,0,0|1,0,0]=3 549 B7R0.6 O=C(O)CCC(=O)O AB7710 [1,1,0,0,0,0|1,0,1]=4 550 B7R0.6 O=C(O)CCC(=O)O D80729 [1,1,0,0,0,0|1,0,1]=4 551 B7R0.6 O=C(O)CC[N+](=O)[O-] F17743 [1,1,0,0,0,0|2,0,0]=4 552 B7R0.8 CCCCC(C)(C)O D91354 [1,1,0,0,0,0|0,0,2]=4 553 B7R0.8 CCCCS(=O)(=O)Cl D88706 [1,1,0,0,0,0|1,0,1]=4 554 B7R0.8 CCCCS(=O)(=O)[O-] F10017 [1,1,0,0,0,0|1,0,1]=4 555 B7R0.8 CCCC[N+](C)(C)C D89168 [1,1,0,0,0,0|2,0,0]=4 556 B7R0.8 CCCC[N+](C)(C)C D97448 [1,1,0,0,0,0|2,0,0]=4 557 B7R0.8 CCCC[Si](C)(C)Cl D88885 [1,1,0,0,0,0|1,1,0]=4 558 B7R0.8 CCCOS(C)(=O)=O D92166 [1,1,0,0,0,0|2,0,0]=4 559 B7R0.8 CNCCS(C)(=O)=O AR3755 [1,1,0,0,0,0|2,0,0]=4 560 B7R0.8 CS(=O)(=O)CCCO 29519 [1,1,0,0,0,0|2,0,0]=4 561 B7R0.8 NCCCP(=O)(O)O 24632 [1,1,0,0,0,0|2,0,0]=4 562 B7R0.8 NCCCS(=O)(=O)O 28770 [1,1,0,0,0,0|2,0,0]=4 563 B7R0.8 O=S(=O)(O)CCCBr D88846 [1,1,0,0,0,0|2,0,0]=4 564 B7R0.1 CCCCCCCBr D78084 [1,1,0,0,0,0|1,0,1]=4 565 B7R0.1 CCCCCCCI D70828 [1,1,0,0,0,0|1,0,1]=4 566 B7R0.1 CCCCCCCS D90781 [1,1,0,0,0,0|1,0,1]=4 567 B7R0.1 CCCCOCCCl D89363 [1,1,0,0,0,0|2,0,0]=4 568 B7R0.1 CCCC\C=C\C=O 39424 [1,1,0,0,0,0|1,0,1]=4 569 B7R0.1 CNCCCCNC 29857 [1,1,0,0,0,0|1,0,1]=4 570 B7R0.1 COCCOCCBr AC1298 [1,1,0,0,0,0|1,0,1]=4 571 B7R0.1 COCCOCCN F19842 [1,1,0,0,0,0|1,0,1]=4 572 B7R0.1 COCCOCCO D78002 [1,1,0,0,0,0|1,0,1]=4 573 B9R0.5 CCCCNC(=O)CC#N D70031 [0,2,0,0,0,0|1,0,1]=4 574 B9R0.5 CCCNCC(=O)OCC 20892 [0,2,0,0,0,0|0,0,0]=2 575 B9R0.5 CCC\C=C\C(=O)OCC D90567 [0,2,0,0,0,0|0,0,1]=3 576 B9R0.5 CCOC(=O)CCCCBr 78992 [0,2,0,0,0,0|0,0,0]=2 577 B9R0.5 CCOC(=O)COCCCl 30785 [0,2,0,0,0,0|1,0,0]=3 578 B9R0.5 CCOC=CC(=O)OCC CL4510 [0,2,0,0,0,0|0,0,2]=4 579 B9R0.5 CCO\C=C\C(=O)OCC F11937 [0,2,0,0,0,0|0,0,2]=4 580 B9R0.8 CCCC[C@H](Br)C(=O)OC F20310 [0,2,0,0,0,0|0,0,0]=2 581 B9R0.8 CCCC[C@H](N)C(=O)OC 23107 [0,2,0,0,0,0|0,0,0]=2 582 B9R0.8 CCCC[C@H](N)C(=O)OC O10226 [0,2,0,0,0,0|0,0,0]=2 583 B9R0.8 CCCOC(=O)[C@@H](C)CC D92159 [0,2,0,0,0,0|2,0,0]=4 584 B9R0.8 COC(=O)[C@@H](Br)CCCBr O11857 [0,2,0,0,0,0|0,0,0]=2 585 B9R0.8 COC(=O)[C@@H](N)CCCN I10675 [0,2,0,0,0,0|0,0,0]=2 586 B9R0.8 COC(=O)[C@@H](N)CCSC F10799 [0,2,0,0,0,0|0,0,0]=2 587 B9R0.8 COC(=O)[C@@H](N)CCSC F10996 [0,2,0,0,0,0|0,0,0]=2 588 B9R0.8 CON(C)C(=O)CCCCl W16956 [0,2,0,0,0,0|1,0,0]=3 589 B9R0.18 C=CCOC(=O)NCCN I11289 [0,2,0,0,0,0|2,0,0]=4 590 B9R0.18 CCCNC(=O)NCCC W13743 [0,2,0,0,0,0|2,0,0]=4 591 B9R0.18 O=C(CCCCl)CCCCl O10356 [0,2,0,0,0,0|2,0,0]=4 592 B9R0.34 CCCC(=O)CC(=O)OC F16755 [0,2,0,0,0,0|0,0,0]=2 593 B9R0.34 CCOC(=O)CC(=O)CBr 34205 [0,2,0,0,0,0|1,0,1]=4 594 B9R0.34 CCOC(=O)CC(=O)CC 28527 [0,2,0,0,0,0|0,0,1]=3 595 B9R0.34 CCOC(=O)CC(=O)CCl D77354 [0,2,0,0,0,0|1,0,1]=4 596 B9R0.34 CCOC(=O)CC(=O)NC F20489 [0,2,0,0,0,0|1,0,1]=4 597 B9R0.34 CCOC(=O)C[C@H](O)CCl 23033 [0,2,0,0,0,0|1,0,0]=3 598 B9R0.34 CCOC(=O)C[C@H](O)CCl 23075 [0,2,0,0,0,0|1,0,0]=3 599 B9R0.34 COCC(=O)CC(=O)OC 76660 [0,2,0,0,0,0|0,0,1]=3 600 B9R0.35 C=CC[C@H](C)C(=O)OCC D90556 [0,2,0,0,0,0|0,0,2]=4 601 B9R0.35 CCCC(=O)C(=O)OCC 34423 [0,2,0,0,0,0|0,0,1]=3 602 B9R0.35 CCCC(=O)[C@@H](O)CCC D88723 [0,2,0,0,0,0|1,0,0]=3 603 B9R0.35 CCC[C@H](Br)C(=O)OCC H11305 [0,2,0,0,0,0|0,0,0]=2 604 B9R0.35 CCC[C@H](N)C(=O)OCC 64698 [0,2,0,0,0,0|0,0,0]=2 605 B9R0.35 CCC[C@H](O)C(=O)OCC D90546 [0,2,0,0,0,0|0,0,0]=2 606 B9R0.35 CCOC(=N)C(=O)OCC 36102 [0,2,0,0,0,0|1,0,1]=4 607 B9R0.35 CCOC(=O)[C@@H](Br)CCBr AB1432 [0,2,0,0,0,0|1,0,0]=3 608 B9R0.35 CCOC(=O)[C@H](Cl)OCC F20949 [0,2,0,0,0,0|1,0,0]=3 609 B9R0.48 CCOC(=O)CCC(=O)Cl 75812 [0,2,0,0,0,0|1,0,1]=4 610 B9R0.48 CCOC(=O)CCC(=O)O O11227 [0,2,0,0,0,0|1,0,1]=4 611 B9R0.48 CCOC(=O)CCC(C)=O D77713 [0,2,0,0,0,0|0,0,1]=3 612 B9R0.48 CCOC(=O)CCC(C)C D81903 [0,2,0,0,0,0|0,0,0]=2 613 B9R0.48 CCOC(=O)CCC(N)=O 59592 [0,2,0,0,0,0|1,0,1]=4 614 B9R0.48 CCOC(=O)CNC(C)=O C10387 [0,2,0,0,0,0|1,0,1]=4 615 B9R0.23 C=C(C)C[C@H](N)C(=O)OC D80920 [0,2,0,0,0,0|0,0,1]=3 616 B9R0.23 CC(C)C[C@H](N)C(=O)CCl FD21939 [0,2,0,0,0,0|2,0,0]=4 617 B9R0.23 CCC(=O)[C@@H](C)CN(C)C 35938 [0,2,0,0,0,0|2,0,0]=4 618 B9R0.23 COC(=O)C(=O)CC(C)=O S11875 [0,2,0,0,0,0|0,0,2]=4 619 B9R0.23 COC(=O)[C@@H](N)CC(=O)O 78253 [0,2,0,0,0,0|1,0,1]=4 620 B9R0.23 COC(=O)[C@@H](N)CC(=O)O AT23254 [0,2,0,0,0,0|1,0,1]=4 621 B9R0.23 COC(=O)[C@@H](N)CC(=O)O C10287 [0,2,0,0,0,0|1,0,1]=4 622 B9R0.23 COC(=O)[C@@H](N)CC(=O)O F15183 [0,2,0,0,0,0|1,0,1]=4 623 B9R0.23 COC(=O)[C@@H](N)CC(C)C FD21898 [0,2,0,0,0,0|0,0,0]=2 624 B9R0.23 COC(=O)[C@@H](N)CC(C)C FD3053 [0,2,0,0,0,0|0,0,0]=2 625 B9R0.23 COC(=O)[C@@H](N)CC(N)=O 66084 [0,2,0,0,0,0|1,0,1]=4 626 B9R0.23 COC(=O)[C@@H](N)CC(N)=O 66085 [0,2,0,0,0,0|1,0,1]=4 627 B9R0.23 COC(=O)[C@@H](O)CC(C)C D80572 [0,2,0,0,0,0|0,0,0]=2 628 B9R0.23 COC(=O)[C@H](C)NC(C)=O 70814 [0,2,0,0,0,0|1,0,1]=4 629 B9R0.23 COC(=O)[C@H](C)NC(C)=O FD21103 [0,2,0,0,0,0|1,0,1]=4 630 B9R0.23 COC(=O)[C@H](C)NC(C)=O FD21104 [0,2,0,0,0,0|1,0,1]=4 631 B9R0.27 CCC(=O)C(C)C(=O)CC A11220 [0,2,0,0,0,0|1,0,1]=4 632 B9R0.27 CCC(=O)[C@H](C)C(=O)OC 20588 [0,2,0,0,0,0|0,0,1]=3 633 B9R0.27 CCC(=O)[C@H](F)C(=O)OC O11876 [0,2,0,0,0,0|0,0,1]=3 634 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC FD21803 [0,2,0,0,0,0|0,0,0]=2 635 B9R0.27 COC(=O)C(C)C(=O)OC O11726 [0,2,0,0,0,0|1,0,1]=4 636 B9R0.27 COC(=O)C(Cl)C(=O)OC F20957 [0,2,0,0,0,0|1,0,1]=4 637 B9R0.27 COC(=O)C(F)C(=O)OC 60578 [0,2,0,0,0,0|1,0,1]=4 638 B9R0.27 COC(=O)C(N)C(=O)OC D82896 [0,2,0,0,0,0|1,0,1]=4 639 B9R0.1 C=C(C)CCCC(=O)OC C74671 [0,2,0,0,0,0|0,0,0]=2 640 B9R0.1 COC(=O)CCCC(=O)Cl S11980 [0,2,0,0,0,0|0,0,1]=3 641 B9R0.1 COC(=O)CCCC(=O)O AC9189 [0,2,0,0,0,0|0,0,1]=3 642 B9R0.1 COC(=O)CCCC(C)=O AC8283 [0,2,0,0,0,0|0,0,0]=2 643 B9R0.1 COC(=O)CCC[N+](=O)[O-] W12509 [0,2,0,0,0,0|1,0,0]=3 644 B9R0.1 COC(=O)CSCC(=O)O D80849 [0,2,0,0,0,0|1,0,1]=4 645 B9R0.1 COC(=O)\C=C\CC(C)C W11675 [0,2,0,0,0,0|0,0,1]=3 646 B9R0.24 CCC(=O)CCC(=O)OC D92982 [0,2,0,0,0,0|0,0,0]=2 647 B9R0.24 COC(=O)CCC(=O)CN A11122 [0,2,0,0,0,0|0,0,1]=3 648 B9R0.24 COC(=O)CNC(=O)CN H11329 [0,2,0,0,0,0|1,0,1]=4 649 B9R0.46 CCCCCCC(=O)OC D90782 [0,2,0,0,0,0|0,0,0]=2 650 B9R0.46 COC(=O)CCCCC=O C76096 [0,2,0,0,0,0|0,0,0]=2 651 B9R0.46 COC(=O)CCCCCBr AC7709 [0,2,0,0,0,0|0,0,0]=2 652 B9R0.46 COC(=O)CCCCCN 24451 [0,2,0,0,0,0|0,0,0]=2 653 B9R0.46 COC(=O)CCCCCO D97618 [0,2,0,0,0,0|0,0,0]=2 654 B9R0.47 C=C(C)C(=O)NCCCN 35820 [0,2,0,0,0,0|2,0,0]=4 655 B9R0.47 C=C(F)C(=O)OCCCC D83944 [0,2,0,0,0,0|1,0,1]=4 656 B9R0.47 CCCCOC(=O)[C@H](C)N 36325 [0,2,0,0,0,0|1,0,0]=3 657 B9R0.47 CCCCOC(=O)[C@H](C)O D70202 [0,2,0,0,0,0|1,0,0]=3 658 B9R0.7 C=C(C)C(=O)NC[C@H](C)O D94852 [0,2,0,0,0,0|2,0,0]=4 659 B9R0.13 CCCCC(CC)C(=O)[O-] AC8589 [0,2,0,0,0,0|1,0,1]=4 660 B9R0.13 CCCCC(CC)C(=O)[O-] D95682 [0,2,0,0,0,0|1,0,1]=4 661 B9R0.13 CCCCC(CC)C(=O)[O-] H11235 [0,2,0,0,0,0|1,0,1]=4 662 B9R0.13 CCCC[C@H](CC)C(=O)[O-] 58586 [0,2,0,0,0,0|1,0,1]=4 663 B9R0.13 CCCC[C@H](CC)C(=O)[O-] A51068 [0,2,0,0,0,0|1,0,1]=4 664 B9R0.42 CCC(=O)O[C@@H](Cl)C(C)C 25803 [0,2,0,0,0,0|2,0,0]=4 665 B9R0.42 COC(=O)CC(=O)C(C)C AC7507 [0,2,0,0,0,0|0,0,1]=3 666 B9R0.42 COC(=O)CC(=O)[C@H](C)Br F15137 [0,2,0,0,0,0|0,0,1]=3 667 B9R0.42 COC(=O)C[C@H](N)C(=O)O 31217 [0,2,0,0,0,0|1,0,1]=4 668 B9R0.42 COC(=O)C[C@H](N)C(=O)O 39305 [0,2,0,0,0,0|1,0,1]=4 669 B9R0.42 COC(=O)C[C@H](N)C(=O)O 52034 [0,2,0,0,0,0|1,0,1]=4 670 B9R0.42 COC(=O)C[C@H](N)C(=O)O O10165 [0,2,0,0,0,0|1,0,1]=4 671 B9R0.42 COC(=O)C[C@H](N)C(C)C 75003 [0,2,0,0,0,0|0,0,0]=2 672 B9R0.42 COC(=O)C[C@H](N)C(C)C 75004 [0,2,0,0,0,0|0,0,0]=2 673 B9R0.21 COC(=O)CCC(Cl)(Cl)Cl AC2431 [0,2,0,0,0,0|1,0,0]=3 674 B9R0.21 COC(=O)CCS(=O)(=O)Cl 29615 [0,2,0,0,0,0|2,0,0]=4 675 B9R0.21 COC(=O)CC[B-](F)(F)F A50029 [0,2,0,0,0,0|2,0,0]=4 676 B9R0.26 CCN(CC)CC(=O)OC D89857 [0,2,0,0,0,0|1,0,0]=3 677 B9R0.26 COC(=O)CC(OC)OC 39410 [0,2,0,0,0,0|1,0,0]=3 678 B9R0.22 C=CC(C)(C)CC(=O)OC F15429 [0,2,0,0,0,0|0,0,2]=4 679 B7R1.1 COC1=NCCC1 O11464 [1,0,0,1,0,0|1,0,0]=3 680 B7R1.2 CC1COS(=O)O1 D91602 [1,0,0,1,0,0|2,0,0]=4 681 B7R1.2 C[C@@H]1CNC(=O)C1 P10078 [1,0,0,1,0,0|1,0,0]=3 682 B7R1.2 C[C@H]1CCC(=O)C1 F10505 [1,0,0,1,0,0|1,0,0]=3 683 B7R1.2 C[C@H]1CCC(=O)N1 D72848 [1,0,0,1,0,0|2,0,0]=4 684 B7R1.2 C[C@H]1CCC(=O)O1 P20539 [1,0,0,1,0,0|2,0,0]=4 685 B7R1.2 C[C@H]1COC(=O)O1 28658 [1,0,0,1,0,0|1,0,0]=3 686 B7R1.2 N[C@@H]1CNC(=O)C1 38799 [1,0,0,1,0,0|2,0,0]=4 687 B7R1.2 N[C@@H]1CNC(=O)C1 SC5061 [1,0,0,1,0,0|2,0,0]=4 688 B7R1.2 N[C@@H]1COC(=O)C1 FD1172 [1,0,0,1,0,0|1,0,0]=3 689 B7R1.2 O=C1COC(=O)C1 T72521 [1,0,0,1,0,0|1,0,1]=4 690 B7R1.2 O=C1C[C@H](O)CN1 26280 [1,0,0,1,0,0|2,0,0]=4 691 B7R1.2 O=C1C[C@H](O)CN1 62393 [1,0,0,1,0,0|2,0,0]=4 692 B7R1.2 O=C1C[C@H](O)CN1 62394 [1,0,0,1,0,0|2,0,0]=4 693 B7R1.2 O=C1C[C@H](O)CO1 H11711 [1,0,0,1,0,0|1,0,0]=3 694 B7R1.2 O=C1OC[C@H](Cl)O1 C13865 [1,0,0,1,0,0|2,0,0]=4 695 B7R1.2 O=C1OC[C@H](F)O1 FD2018 [1,0,0,1,0,0|2,0,0]=4 696 B7R1.3 BrC1=CCCCC1 N12373 [1,0,0,1,0,0|2,0,0]=4 697 B7R1.3 CC1=CCCCC1 H10759 [1,0,0,1,0,0|2,0,0]=4 698 B7R1.3 O=C1C=CCCO1 71011 [1,0,0,1,0,0|0,0,2]=4 699 B7R1.3 O=C1CCCCN1 F10312 [1,0,0,1,0,0|1,0,0]=3 700 B7R1.3 O=C1CCCCO1 20506 [1,0,0,1,0,0|0,0,0]=2 701 B7R1.3 O=C1CCCNC1 36189 [1,0,0,1,0,0|2,0,0]=4 702 B7R1.3 O=C1CCCNC1 65124 [1,0,0,1,0,0|2,0,0]=4 703 B7R1.3 O=C1CCCOC1 67990 [1,0,0,1,0,0|2,0,0]=4 704 B7R1.3 O=C1CCCSC1 38182 [1,0,0,1,0,0|2,0,0]=4 705 B7R1.3 O=C1CCNCC1 AB2978 [1,0,0,1,0,0|2,0,0]=4 706 B7R1.3 O=C1CCNCC1 AB7716 [1,0,0,1,0,0|2,0,0]=4 707 B7R1.3 O=C1CCOCC1 28100 [1,0,0,1,0,0|2,0,0]=4 708 B7R1.3 O=C1CCSCC1 34742 [1,0,0,1,0,0|2,0,0]=4 709 B7R1.3 O=C1CNCCN1 65258 [1,0,0,1,0,0|2,0,0]=4 710 B7R1.3 O=C1COCCN1 35814 [1,0,0,1,0,0|2,0,0]=4 711 B7R1.3 O=C1COCCO1 39291 [1,0,0,1,0,0|1,0,0]=3 712 B7R1.3 O=C1NCCCN1 F14817 [1,0,0,1,0,0|2,0,0]=4 713 B7R1.3 O=C1NCCCO1 30441 [1,0,0,1,0,0|1,0,0]=3 714 B7R1.3 O=C1OCCCO1 F20507 [1,0,0,1,0,0|1,0,0]=3 715 B7R1.3 O=S1OCCCO1 D90284 [1,0,0,1,0,0|2,0,0]=4 716 B7R1.3 O[C@@H]1CCCCO1 F19855 [1,0,0,1,0,0|0,0,2]=4 717 B7R1.4 CN1CCCC1=O D78116 [1,0,0,1,0,0|1,0,0]=3 718 B7R1.4 CN1CCCC1=S F16372 [1,0,0,1,0,0|1,1,0]=4 719 B7R1.4 CN1CCOC1=O 70761 [1,0,0,1,0,0|2,0,0]=4 720 B7R1.4 C[C@@H]1OCCC1=O O10840 [1,0,0,1,0,0|2,0,0]=4 721 B7R1.4 C[C@@H]1SCCC1=O AC7518 [1,0,0,1,0,0|2,0,0]=4 722 B7R1.4 C[C@H]1CCCC1=O 29606 [1,0,0,1,0,0|1,0,0]=3 723 B7R1.4 C[C@H]1CCOC1=O D70164 [1,0,0,1,0,0|2,0,0]=4 724 B7R1.4 NN1CCCC1=O 67417 [1,0,0,1,0,0|2,0,0]=4 725 B7R1.4 O=C1CCC[C@@H]1Cl F10995 [1,0,0,1,0,0|2,0,0]=4 726 B7R1.22 COC(=O)C1CC1 D78080 [1,0,0,1,0,0|0,0,0]=2 727 B7R1.22 COC(=O)[C@@H]1CN1 63227 [1,0,0,1,0,0|1,0,0]=3 728 B7R1.22 COC(=O)[C@@H]1CO1 A11057 [1,0,0,1,0,0|1,0,0]=3 729 B7R1.22 COC(=O)[C@@H]1CO1 AC2359 [1,0,0,1,0,0|1,0,0]=3 730 B7R1.22 COC(=O)[C@@H]1CO1 H11420 [1,0,0,1,0,0|1,0,0]=3 731 B7R1.22 NNC(=O)C1CC1 37331 [1,0,0,1,0,0|2,0,0]=4 732 B7R1.22 O=C(CBr)C1CC1 28934 [1,0,0,1,0,0|2,0,0]=4 733 B7R1.12 O=C(O)C1CC1F CS2163 [1,0,0,1,0,0|1,0,0]=3 734 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS1221 [1,0,0,1,0,0|1,0,0]=3 735 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS1224 [1,0,0,1,0,0|1,0,0]=3 736 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS2019 [1,0,0,1,0,0|1,0,0]=3 737 B7R1.12 O=C(O)[C@H]1C[C@@H]1F CS1503 [1,0,0,1,0,0|1,0,0]=3 738 B7R1.14 CC1(O)CCCC1 35177 [1,0,0,1,0,0|0,0,2]=4 739 B7R1.14 N=S1(=O)CCCC1 W16224 [1,0,0,1,0,0|2,0,0]=4 740 B7R1.14 O=S1(=O)CCCC1 D78046 [1,0,0,1,0,0|1,0,1]=4 741 B7R1.18 CC(=O)C1CCC1 P15299 [1,0,0,1,0,0|0,0,0]=2 742 B7R1.18 C[C@H](O)C1CCC1 24983 [1,0,0,1,0,0|0,0,2]=4 743 B7R1.18 C[C@H](O)C1CCC1 P18048 [1,0,0,1,0,0|0,0,2]=4 744 B7R1.18 N=C(N)C1CCC1 29597 [1,0,0,1,0,0|2,0,0]=4 745 B7R1.18 NC(=O)C1CNC1 27669 [1,0,0,1,0,0|2,0,0]=4 746 B7R1.18 NC(=O)C1CNC1 37074 [1,0,0,1,0,0|2,0,0]=4 747 B7R1.18 O=C(Cl)C1CCC1 D87747 [1,0,0,1,0,0|1,0,0]=3 748 B7R1.18 O=C(O)C1CCC1 59526 [1,0,0,1,0,0|0,0,0]=2 749 B7R1.18 O=C(O)C1CNC1 56245 [1,0,0,1,0,0|1,0,0]=3 750 B7R1.18 O=C(O)C1CNC1 67857 [1,0,0,1,0,0|1,0,0]=3 751 B7R1.18 O=C(O)[C@@H]1CCN1 20950 [1,0,0,1,0,0|1,0,0]=3 752 B7R1.18 O=C(O)[C@@H]1CCN1 20951 [1,0,0,1,0,0|1,0,0]=3 753 B7R1.18 O=C(O)[C@@H]1CCN1 24715 [1,0,0,1,0,0|1,0,0]=3 754 B7R1.18 O=C(O)[C@@H]1CCN1 57406 [1,0,0,1,0,0|1,0,0]=3 755 B7R1.18 O=C(O)[C@@H]1CCN1 66104 [1,0,0,1,0,0|1,0,0]=3 756 B7R1.18 OB(O)C1CCC1 35984 [1,0,0,1,0,0|1,0,1]=4 757 B7R1.20 O=C(O)CC1CC1 CL4520 [1,0,0,1,0,0|0,0,0]=2 758 B7R1.24 C1CNCCOC1 31105 [1,0,0,1,0,0|1,0,1]=4 759 B9R1.7 CCCC1=CC(=O)OC1 E70333 [0,1,0,1,0,0|0,0,1]=3 760 B9R1.7 CCC[C@@H]1CNC(=O)C1 W17994 [0,1,0,1,0,0|1,0,0]=3 761 B9R1.7 CCC[C@H]1CCC(=O)O1 D90888 [0,1,0,1,0,0|1,0,0]=3 762 B9R1.8 ClCOC1CCCCC1 D89466 [0,1,0,1,0,0|1,0,1]=4 763 B9R1.8 NCCC1=CCCCC1 D87820 [0,1,0,1,0,0|2,0,0]=4 764 B9R1.12 CCCCC1=CC=CO1 D88935 [0,1,0,1,0,0|1,0,1]=4 765 B9R1.15 CC[C@H]1CCCCC1=O D97760 [0,1,0,1,0,0|1,0,0]=3 766 B9R1.15 CO[C@H]1CCCCC1=O P19682 [0,1,0,1,0,0|0,0,0]=2 767 B9R1.15 C[C@H]1CCCC\C1=N\O D86326 [0,1,0,1,0,0|1,0,1]=4 768 B9R1.15 N#C[C@H]1CCCCC1=O W17330 [0,1,0,1,0,0|1,0,1]=4 769 B9R1.33 CCCN1CCCC1=O 65466 [0,1,0,1,0,0|2,0,0]=4 770 B9R1.33 O=C1OCCN1CCCl W16070 [0,1,0,1,0,0|2,0,0]=4 771 B9R1.48 O=C1CCCCC(=O)C1 35108 [0,1,0,1,0,0|1,0,1]=4 772 B9R1.48 O=C1CCCCC(=O)O1 F20518 [0,1,0,1,0,0|0,0,1]=3 773 B9R1.48 O=C1CCCCC(=S)N1 D95361 [0,1,0,1,0,0|1,0,1]=4 774 B9R1.49 CN1CCCC(=O)CC1 34283 [0,1,0,1,0,0|1,0,0]=3 775 B9R1.49 CN1CCNC(=O)CC1 64338 [0,1,0,1,0,0|2,0,0]=4 776 B9R1.50 O=C1CCCCCCC1 78195 [0,1,0,1,0,0|1,0,0]=3 777 B9R1.50 O=C1CCCCCCN1 35268 [0,1,0,1,0,0|1,0,0]=3 778 B9R1.50 O=C1CCCCCCO1 D94278 [0,1,0,1,0,0|0,0,0]=2 779 B9R1.69 CC1CCC(=O)CC1C 90794 [0,1,0,1,0,0|1,0,0]=3 780 B9R1.69 CN1CC[C@H](N)CC1=O 37085 [0,1,0,1,0,0|1,0,0]=3 781 B9R1.69 C[C@H]1CN(C)CCC1=O 68472 [0,1,0,1,0,0|2,0,0]=4 782 B9R1.73 CCOC(=O)C1CCC1 11047 [0,1,0,1,0,0|0,0,0]=2 783 B9R1.73 CCOC(=O)C1CNC1 60712 [0,1,0,1,0,0|1,0,0]=3 784 B9R1.73 N#CCC(=O)C1CCC1 83493 [0,1,0,1,0,0|1,0,1]=4 785 B9R1.75 CCOC(=O)C=C1CC1 95464 [0,1,0,1,0,0|0,0,2]=4 786 B9R1.75 CCOC(=O)CC1CC1 F51522 [0,1,0,1,0,0|0,0,0]=2 787 B9R1.183 CCOC(=O)[C@@H]1C[C@@H]1F CS3357 [0,1,0,1,0,0|1,0,0]=3 788 B9R1.3 CC1C(=O)CCCC1=O F19547 [0,1,0,1,0,0|1,0,1]=4 789 B9R1.3 CN1CCCN(C)C1=O P17490 [0,1,0,1,0,0|2,0,0]=4 790 B9R1.5 CN1CCCCCC1=O F20350 [0,1,0,1,0,0|1,0,0]=3 791 B9R1.5 CN1CCNCCC1=O Y10627 [0,1,0,1,0,0|1,0,0]=3 792 B9R1.5 N[C@H]1CCCCNC1=O 36347 [0,1,0,1,0,0|1,0,0]=3 793 B9R1.5 N[C@H]1CCCCNC1=O 52018 [0,1,0,1,0,0|1,0,0]=3 794 B9R1.5 N[C@H]1CCCCNC1=O A56019 [0,1,0,1,0,0|1,0,0]=3 795 B9R1.5 N[C@H]1CCCCNC1=O A56021 [0,1,0,1,0,0|1,0,0]=3 796 B9R1.5 N[C@H]1CCCCNC1=O Y10023 [0,1,0,1,0,0|1,0,0]=3 797 B9R1.11 COC(=O)C1=CCCC1 23248 [0,1,0,1,0,0|0,0,1]=3 798 B9R1.11 COC(=O)C1CC=CC1 23138 [0,1,0,1,0,0|0,0,1]=3 799 B9R1.11 COC(=O)C1CCCC1 71026 [0,1,0,1,0,0|0,0,0]=2 800 B9R1.11 COC(=O)[C@@H]1CCCN1 35748 [0,1,0,1,0,0|0,0,0]=2 801 B9R1.11 COC(=O)[C@@H]1CCCN1 F10761 [0,1,0,1,0,0|0,0,0]=2 802 B9R1.11 COC(=O)[C@@H]1CCCN1 F10972 [0,1,0,1,0,0|0,0,0]=2 803 B9R1.11 COC(=O)[C@@H]1CCCO1 D94760 [0,1,0,1,0,0|0,0,0]=2 804 B9R1.11 COC(=O)[C@H]1CCNC1 30340 [0,1,0,1,0,0|0,0,0]=2 805 B9R1.11 COC(=O)[C@H]1CCNC1 63827 [0,1,0,1,0,0|0,0,0]=2 806 B9R1.11 COC(=O)[C@H]1CCNC1 63831 [0,1,0,1,0,0|0,0,0]=2 807 B9R1.11 COC(=O)[C@H]1CCOC1 37312 [0,1,0,1,0,0|0,0,0]=2 808 B9R1.11 O=C(CCl)N1CCCC1 71285 [0,1,0,1,0,0|2,0,0]=4 809 B9R1.37 CC1CC(=O)C(=O)C1C D81912 [0,1,0,1,0,0|1,0,1]=4 810 B9R1.82 C=C1CC(C(=O)OC)C1 84767 [0,1,0,1,0,0|0,0,1]=3 811 B9R1.82 COC(=O)C1CC(=O)C1 82646 [0,1,0,1,0,0|0,0,1]=3 812 B9R1.82 COC(=O)C1CC(Cl)C1 38985 [0,1,0,1,0,0|0,0,0]=2 813 B9R1.82 COC(=O)C1CC(I)C1 P19841 [0,1,0,1,0,0|0,0,0]=2 814 B9R1.82 COC(=O)C1CC(O)C1 87718 [0,1,0,1,0,0|0,0,0]=2 815 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 FD7143 [0,1,0,1,0,0|0,0,0]=2 816 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 38533 [0,1,0,1,0,0|0,0,0]=2 817 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 37458 [0,1,0,1,0,0|0,0,0]=2 818 B9R1.101 COC(=O)[C@@H](N)C1CC1 F52092 [0,1,0,1,0,0|0,0,0]=2 819 B9R1.132 CCC1=C(O)C(=O)CC1 D90570 [0,1,0,1,0,0|2,0,0]=4 820 B9R1.186 COC(=O)C1(Br)CCC1 72356 [0,1,0,1,0,0|0,0,0]=2 821 B9R1.186 COC(=O)C1(N)CCC1 52075 [0,1,0,1,0,0|0,0,0]=2 822 B9R1.1 CCC1CCC(=O)CC1 N10368 [0,1,0,1,0,0|1,0,0]=3 823 B9R1.1 CCN1CCC(=O)CC1 77862 [0,1,0,1,0,0|1,0,0]=3 824 B9R1.1 COC1CCC(=O)CC1 23774 [0,1,0,1,0,0|1,0,0]=3 825 B9R1.1 COC1CCC(C)CC1 D80701 [0,1,0,1,0,0|1,0,1]=4 826 B9R1.1 COC1CCC(N)CC1 76154 [0,1,0,1,0,0|1,0,1]=4 827 B9R1.1 COC1CCC(O)CC1 32564 [0,1,0,1,0,0|1,0,1]=4 828 B9R1.1 CO[C@H]1CC[C@H](N)CC1 S11821 [0,1,0,1,0,0|1,0,1]=4 829 B9R1.1 N#CC1CCC(=O)CC1 80206 [0,1,0,1,0,0|1,0,1]=4 830 B9R1.1 O=C1CCC(CO)CC1 28378 [0,1,0,1,0,0|1,0,0]=3 831 B9R1.21 COC1CCC(OC)O1 D77900 [0,1,0,1,0,0|0,0,2]=4 832 B9R1.79 COC(=O)C=C1COC1 37057 [0,1,0,1,0,0|0,0,2]=4 833 B9R1.79 COC(=O)CC1CNC1 37323 [0,1,0,1,0,0|0,0,0]=2 834 B9R1.79 NCC(=O)NC1CCC1 AB1052 [0,1,0,1,0,0|2,0,0]=4 835 B9R1.89 COC1=NCCCCC1 78135 [0,1,0,1,0,0|1,0,0]=3 836 B9R1.89 O=NN1CCCCCC1 D93582 [0,1,0,1,0,0|2,0,0]=4 837 B9R1.89 ON=C1CCCCCC1 D89425 [0,1,0,1,0,0|1,0,1]=4 838 B9R1.23 CN1C[C@@H](CO)CC1=O P17084 [0,1,0,1,0,0|2,0,0]=4 839 B9R1.35 CC(C)[C@@H]1CNC(=O)C1 P19175 [0,1,0,1,0,0|1,0,0]=3 840 B9R1.35 CC(C)[C@@H]1COC(=O)N1 33734 [0,1,0,1,0,0|1,0,0]=3 841 B9R1.35 CC(C)[C@@H]1COC(=O)N1 TD8068 [0,1,0,1,0,0|1,0,0]=3 842 B9R1.35 CC(C)[C@@H]1COC(=O)N1 W10689 [0,1,0,1,0,0|1,0,0]=3 843 B9R1.40 CC1(C)CCCCC1=O 25898 [0,1,0,1,0,0|1,0,0]=3 844 B9R1.40 CC1(C)CNCCC1=O 84109 [0,1,0,1,0,0|2,0,0]=4 845 B9R1.40 CC1(C)CNCCC1=O FD10497 [0,1,0,1,0,0|2,0,0]=4 846 B9R1.10 CC1(C)C=CC(=O)CC1 CL3492 [0,1,0,1,0,0|1,0,1]=4 847 B9R1.10 CC1(C)CCC(=O)CC1 35448 [0,1,0,1,0,0|1,0,0]=3 848 B9R1.10 CC1(C)COC(=O)OC1 F51892 [0,1,0,1,0,0|1,0,0]=3 849 B9R1.10 C[N+]1(C)CCC(=O)CC1 AB10340 [0,1,0,1,0,0|2,0,0]=4 850 B9R1.10 O=C1CCC(F)(F)CC1 80904 [0,1,0,1,0,0|2,0,0]=4 851 B9R2.109 O=C1CCCC2OC12 AB10163 [0,0,0,2,0,0|2,0,0]=4