0 B7R0.1 BrCCCCCCBr D77996 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 C#CCCCCCO 35608 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.1 C#CCOCCOC W13675 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 C=CCCCCC=C F19559 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.1 C=CCCCCCBr 34943 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.1 C=CCCCCNC C75624 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.1 C=CCOCCCC D88441 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.1 C=CCSSCC=C D89587 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.1 CCCCCCCBr D78084 [0,0,0,0,0,0|1,0,1]=2 9 B7R0.1 CCCCCCCI D70828 [0,0,0,0,0,0|1,0,1]=2 10 B7R0.1 CCCCCCCS D90781 [0,0,0,0,0,0|1,0,1]=2 11 B7R0.1 CCCCOCCCl D89363 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.1 CCCC\C=C\C=O 39424 [0,0,0,0,0,0|1,0,2]=3 13 B7R0.1 CNCCCCNC 29857 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.1 COCCOCCBr AC1298 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.1 COCCOCCN F19842 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.1 COCCOCCO D78002 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.1 COCOCCC#N 32633 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.1 CSCCCN=C=S D91571 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.1 ClCCCCCCBr AC1307 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.1 ClCCCCCCI O10399 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.1 ICCCCCCI D78160 [0,0,0,0,0,0|2,0,1]=3 22 B7R0.1 N#CCCCCCBr 76351 [0,0,0,0,0,0|2,0,1]=3 23 B7R0.1 N#CCCCCCN D92992 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.1 NCCCCCCN H11757 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.1 NCCCCCCO 74060 [0,0,0,0,0,0|2,0,1]=3 26 B7R0.1 NCCCNCCBr 37146 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.1 NCCCNCCO 37148 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.1 NCCNCCCO H11394 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.1 OCCCCCCBr 34408 [0,0,0,0,0,0|2,0,1]=3 30 B7R0.1 OCCCCCCCl D70146 [0,0,0,0,0,0|2,0,1]=3 31 B7R0.1 OCCCCCCS N11988 [0,0,0,0,0,0|2,0,1]=3 32 B7R0.1 SCCCCCCS D90840 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.6 BrCCCCCBr D70772 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.6 BrCCOCCBr 12226 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.6 C#CCCCCO F10490 [1,0,0,0,0,0|1,0,2]=4 36 B6R0.6 C=CCCCCBr F14895 [1,0,0,0,0,0|1,0,0]=2 37 B6R0.6 C=CCCCCCl N11935 [1,0,0,0,0,0|1,0,0]=2 38 B6R0.6 C=CCCCCO 35574 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.6 C=CCNCC=C AC7931 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.6 C=CCOCC=C D88230 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.6 C=COCCCN 75654 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.6 CCC#CCCO F11743 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.6 CCCC#CCO D90881 [1,0,0,0,0,0|1,0,2]=4 44 B6R0.6 CCCC=CC=O D78252 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.6 CCCCCCI F20355 [1,0,0,0,0,0|1,0,0]=2 46 B6R0.6 CCCCCCN F19564 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.6 CCCCCNC D91584 [1,0,0,0,0,0|1,0,1]=3 48 B6R0.6 CCCCN=C=S D91107 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.6 CCCNCCC D89745 [1,0,0,0,0,0|1,0,1]=3 50 B6R0.6 CCCNCCO C10761 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.6 CCCOCCCl H10822 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.6 CCC\C=C\CO D78301 [1,0,0,0,0,0|1,0,2]=4 53 B6R0.6 CCNCCCN D82016 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.6 CCNCCCO 31655 [1,0,0,0,0,0|2,0,0]=3 55 B6R0.6 CCNCCOC H11999 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.6 CCOCCCCl D95770 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.6 CCOCCCO D95933 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.6 CC\C=C/CCO 73722 [1,0,0,0,0,0|1,0,2]=4 59 B6R0.6 CNCCCCO F10210 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.6 COCCCCBr F13727 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.6 COCCCCCl 28715 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.6 COCCCCO D78159 [1,0,0,0,0,0|2,0,0]=3 63 B6R0.6 COCCOCCl H11303 [1,0,0,0,0,0|3,0,0]=4 64 B6R0.6 C[NH2+]CCC[NH2+]C D90229 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.6 ClCCCCCBr S10881 [1,0,0,0,0,0|2,0,0]=3 66 B6R0.6 ClCCCCCI A10955 [1,0,0,0,0,0|2,0,0]=3 67 B6R0.6 ClCCNCCCl 97536 [1,0,0,0,0,0|3,0,0]=4 68 B6R0.6 FCCCCCBr 24471 [1,0,0,0,0,0|2,0,0]=3 69 B6R0.6 ICCCCCI P10001 [1,0,0,0,0,0|2,0,0]=3 70 B6R0.6 ICCOCCI C90294 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.6 N#CCCCCCl 28437 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.6 N#CCCCCN S10714 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.6 NCCCCCN D83408 [1,0,0,0,0,0|2,0,0]=3 74 B6R0.6 NCCCCCO I11482 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.6 NCCNCCO D77720 [1,0,0,0,0,0|3,0,0]=4 76 B6R0.6 NCCOCCN 75244 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.6 NCCOCCN 75301 [1,0,0,0,0,0|3,0,0]=4 78 B6R0.6 NCCOCCO C70233 [1,0,0,0,0,0|3,0,0]=4 79 B6R0.6 NCCSCCN FD10524 [1,0,0,0,0,0|3,0,0]=4 80 B6R0.6 O=CCCCCCl C10094 [1,0,0,0,0,0|2,0,0]=3 81 B6R0.6 O=CCCCCO F19841 [1,0,0,0,0,0|2,0,0]=3 82 B6R0.6 OCCCCCBr 23140 [1,0,0,0,0,0|2,0,0]=3 83 B6R0.6 OCCCCCCl O11412 [1,0,0,0,0,0|2,0,0]=3 84 B6R0.6 OCCNCCCl F50591 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.6 OCCNCCO D92250 [1,0,0,0,0,0|3,0,0]=4 86 B6R0.6 OCCOCCBr S10705 [1,0,0,0,0,0|3,0,0]=4 87 B6R0.6 OCCOCCCl D72518 [1,0,0,0,0,0|3,0,0]=4 88 B6R0.6 SCCCCCS D92137 [1,0,0,0,0,0|2,0,0]=3 89 B6R0.6 SCCSCCS D91485 [1,0,0,0,0,0|3,0,0]=4 90 B8R0.1 C=CCCC(=O)OCC H10612 [0,1,0,0,0,0|1,0,1]=3 91 B8R0.4 BrCCCCCCCBr H11758 [0,1,0,0,0,0|1,0,1]=3 92 B8R0.4 C#CCCCCCCO 85580 [0,1,0,0,0,0|0,0,2]=3 93 B8R0.4 C=CCCCCCCBr 78390 [0,1,0,0,0,0|0,0,0]=1 94 B8R0.4 C=CCCCCCCCl I11995 [0,1,0,0,0,0|0,0,0]=1 95 B8R0.4 CCCCCCCCCl D97411 [0,1,0,0,0,0|0,0,2]=3 96 B8R0.4 CCCCCCCCI W18672 [0,1,0,0,0,0|0,0,2]=3 97 B8R0.4 CCCCCCCCN D91873 [0,1,0,0,0,0|0,0,2]=3 98 B8R0.4 CCCCCCCCN D91878 [0,1,0,0,0,0|0,0,2]=3 99 B8R0.4 CCCCCCCNC D82019 [0,1,0,0,0,0|0,0,2]=3 100 B8R0.4 CCCCCCN=C=S D95721 [0,1,0,0,0,0|1,0,1]=3 101 B8R0.4 CCCCC\C=C\C=O D91827 [0,1,0,0,0,0|0,0,1]=2 102 B8R0.4 CCCCC\C=C\CO D91843 [0,1,0,0,0,0|0,0,2]=3 103 B8R0.4 CCCCOCCC#N AC1754 [0,1,0,0,0,0|1,0,1]=3 104 B8R0.4 CCCCOCCOC A11001 [0,1,0,0,0,0|1,0,1]=3 105 B8R0.4 CCCC[SnH4+2]CCCC D95293 [0,1,0,0,0,0|0,0,2]=3 106 B8R0.4 CCCC[SnH4+2]CCCC D95356 [0,1,0,0,0,0|0,0,2]=3 107 B8R0.4 CCC\C=C\C=C\C=O D71091 [0,1,0,0,0,0|0,0,3]=4 108 B8R0.4 CCOCCOCCBr D97193 [0,1,0,0,0,0|2,0,1]=4 109 B8R0.4 CCOCCOCCO D72502 [0,1,0,0,0,0|2,0,1]=4 110 B8R0.4 CC\C=C/CCOC=O D95718 [0,1,0,0,0,0|1,0,2]=4 111 B8R0.4 COCCNCCOC F11888 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.4 COCCOCCCBr S10711 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.4 COCCOCCCN A10954 [0,1,0,0,0,0|2,0,1]=4 114 B8R0.4 COCCOCCOC D80970 [0,1,0,0,0,0|2,0,1]=4 115 B8R0.4 NCCCCCCCN O11823 [0,1,0,0,0,0|1,0,1]=3 116 B8R0.4 NCCCOCCCN T70571 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.4 OCCCCCCCBr 34162 [0,1,0,0,0,0|1,0,1]=3 118 B8R0.4 OCCCCCCCCl D97219 [0,1,0,0,0,0|1,0,1]=3 119 B8R0.4 OCCCCCCCO H10510 [0,1,0,0,0,0|1,0,1]=3 120 B8R0.4 OCCCNCCCO O10901 [0,1,0,0,0,0|2,0,1]=4 121 B8R0.6 C=CC(=O)CCCCC D71008 [0,1,0,0,0,0|0,0,1]=2 122 B8R0.6 C=CC(=O)NCCCC D82024 [0,1,0,0,0,0|1,0,1]=3 123 B8R0.6 C=CCCCC(=O)OC H11902 [0,1,0,0,0,0|1,0,1]=3 124 B8R0.6 C=C[C@@H](O)CCCCC D91822 [0,1,0,0,0,0|0,0,0]=1 125 B8R0.6 CCCCC[C@@H](O)CC D78240 [0,1,0,0,0,0|0,0,2]=3 126 B8R0.6 NCCCC[C@H](N)CO F52525 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.6 OCCCC[C@H](O)CO 75130 [0,1,0,0,0,0|2,0,1]=4 128 B8R0.7 C#CCCCCC(=O)O 76366 [0,1,0,0,0,0|1,0,2]=4 129 B8R0.7 C=CCCCCB(O)O I12043 [0,1,0,0,0,0|2,0,0]=3 130 B8R0.7 C=CCCCCC(=O)O I11996 [0,1,0,0,0,0|1,0,1]=3 131 B8R0.7 CC(=O)OCCCCBr F16811 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.7 CC(=O)OCCCCCl H10679 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.7 CC(C)CCCCCO A10851 [0,1,0,0,0,0|1,0,1]=3 134 B8R0.7 CC(C)NCCCCO F10470 [0,1,0,0,0,0|2,0,1]=4 135 B8R0.7 CCCCCCB(O)O 33195 [0,1,0,0,0,0|2,0,0]=3 136 B8R0.7 CCCCCCC(=O)Cl A10863 [0,1,0,0,0,0|1,0,0]=2 137 B8R0.7 CCCCCCC(=O)[O-] D90422 [0,1,0,0,0,0|1,0,0]=2 138 B8R0.7 CCCCCCC(N)=O D93021 [0,1,0,0,0,0|1,0,0]=2 139 B8R0.7 CCCCCC[C@H](C)Br F21283 [0,1,0,0,0,0|0,0,2]=3 140 B8R0.7 CCCCCC[C@H](C)O AC1155 [0,1,0,0,0,0|0,0,2]=3 141 B8R0.7 CCCCCC[C@H](C)O D71187 [0,1,0,0,0,0|0,0,2]=3 142 B8R0.7 CCCCCC[C@H](C)O D81747 [0,1,0,0,0,0|0,0,2]=3 143 B8R0.7 CCCCCOC(=O)Cl D89273 [0,1,0,0,0,0|2,0,0]=3 144 B8R0.7 CCCCCOC(=S)[S-] D88265 [0,1,0,0,0,0|2,0,0]=3 145 B8R0.7 CCCCOCC(=O)O AC1559 [0,1,0,0,0,0|2,0,0]=3 146 B8R0.7 CCCC\C=C\C(=O)O D90864 [0,1,0,0,0,0|1,0,2]=4 147 B8R0.7 CCNCCCN(C)C 31761 [0,1,0,0,0,0|2,0,1]=4 148 B8R0.7 CN(C)CCCCC#N AC2013 [0,1,0,0,0,0|2,0,1]=4 149 B8R0.7 COCCOCC(=O)O D74540 [0,1,0,0,0,0|3,0,0]=4 150 B8R0.7 CSCCCOC(C)=O D91595 [0,1,0,0,0,0|2,0,1]=4 151 B8R0.7 N=C(N)NCCCCN 41225 [0,1,0,0,0,0|3,0,0]=4 152 B8R0.7 N=C(N)NCCCCN 52136 [0,1,0,0,0,0|3,0,0]=4 153 B8R0.7 N=C(N)NCCCCN C10463 [0,1,0,0,0,0|3,0,0]=4 154 B8R0.7 NC(=O)CCCCCBr 74914 [0,1,0,0,0,0|2,0,0]=3 155 B8R0.7 NCCNCCC(=O)[O-] F16459 [0,1,0,0,0,0|3,0,0]=4 156 B8R0.7 O=C(Cl)CCCCCBr D88888 [0,1,0,0,0,0|2,0,0]=3 157 B8R0.7 O=C(O)CCCCCBr F11242 [0,1,0,0,0,0|2,0,0]=3 158 B8R0.7 O=C(O)CCCCCCl D77823 [0,1,0,0,0,0|2,0,0]=3 159 B8R0.7 O=C(O)CCCCCO S10488 [0,1,0,0,0,0|2,0,0]=3 160 B8R0.7 O=C(O)CCNCCO D94998 [0,1,0,0,0,0|3,0,0]=4 161 B8R0.7 O=C([O-])CCCCCO Y10610 [0,1,0,0,0,0|2,0,0]=3 162 B8R1.2 BrCC1CCCCC1 81459 [0,0,0,1,0,0|1,0,1]=3 163 B8R1.2 BrCC1CCNCC1 54450 [0,0,0,1,0,0|2,0,1]=4 164 B8R1.2 BrCC1CCOCC1 54616 [0,0,0,1,0,0|2,0,1]=4 165 B8R1.2 C#CC1CCCCC1 F16297 [0,0,0,1,0,0|0,0,2]=3 166 B8R1.2 C=CC1CCCCC1 D92778 [0,0,0,1,0,0|0,0,0]=1 167 B8R1.2 CC[C@H]1CCCCN1 D90478 [0,0,0,1,0,0|1,0,1]=3 168 B8R1.2 CC[C@H]1COCCN1 F13094 [0,0,0,1,0,0|2,0,1]=4 169 B8R1.2 CC[C@H]1COCCN1 F17622 [0,0,0,1,0,0|2,0,1]=4 170 B8R1.2 CC[C@H]1COCCN1 FD6007 [0,0,0,1,0,0|2,0,1]=4 171 B8R1.2 CNC1CCOCC1 32360 [0,0,0,1,0,0|2,0,1]=4 172 B8R1.2 CNC1CCOCC1 AB1551 [0,0,0,1,0,0|2,0,1]=4 173 B8R1.2 CN[C@H]1CCCNC1 33739 [0,0,0,1,0,0|2,0,1]=4 174 B8R1.2 COC1CCNCC1 29503 [0,0,0,1,0,0|2,0,1]=4 175 B8R1.2 COC1CCNCC1 30319 [0,0,0,1,0,0|2,0,1]=4 176 B8R1.2 CO[C@H]1CCCNC1 32736 [0,0,0,1,0,0|2,0,1]=4 177 B8R1.2 CO[C@H]1CCCNC1 32744 [0,0,0,1,0,0|2,0,1]=4 178 B8R1.2 CO[C@H]1CCCNC1 37169 [0,0,0,1,0,0|2,0,1]=4 179 B8R1.2 CO[C@H]1CCCNC1 37171 [0,0,0,1,0,0|2,0,1]=4 180 B8R1.2 CO[C@H]1CCCNC1 AB7412 [0,0,0,1,0,0|2,0,1]=4 181 B8R1.2 ICC1CCOCC1 62810 [0,0,0,1,0,0|2,0,1]=4 182 B8R1.2 N#CC1CCCCC1 F14026 [0,0,0,1,0,0|1,0,1]=3 183 B8R1.2 N#CC1CCCCN1 37817 [0,0,0,1,0,0|2,0,1]=4 184 B8R1.2 N#CC1CCNCC1 50765 [0,0,0,1,0,0|2,0,1]=4 185 B8R1.2 N#CC1CCNCC1 83447 [0,0,0,1,0,0|2,0,1]=4 186 B8R1.2 N#CC1CCOCC1 AB2989 [0,0,0,1,0,0|2,0,1]=4 187 B8R1.2 N#C[C@H]1CCCNC1 82699 [0,0,0,1,0,0|2,0,1]=4 188 B8R1.2 N#C[C@H]1CCCNC1 83525 [0,0,0,1,0,0|2,0,1]=4 189 B8R1.2 NCC1CCCCC1 FD10556 [0,0,0,1,0,0|1,0,1]=3 190 B8R1.2 NCC1CCNCC1 20503 [0,0,0,1,0,0|2,0,1]=4 191 B8R1.2 NCC1CCOCC1 51888 [0,0,0,1,0,0|2,0,1]=4 192 B8R1.2 NCC1CCOCC1 AB1593 [0,0,0,1,0,0|2,0,1]=4 193 B8R1.2 NC[C@H]1CCCCN1 F13324 [0,0,0,1,0,0|2,0,1]=4 194 B8R1.2 NC[C@H]1CCCCO1 29695 [0,0,0,1,0,0|2,0,1]=4 195 B8R1.2 NC[C@H]1CCCNC1 51408 [0,0,0,1,0,0|2,0,1]=4 196 B8R1.2 NC[C@H]1CCCNC1 AB01087 [0,0,0,1,0,0|2,0,1]=4 197 B8R1.2 NC[C@H]1CCCOC1 P10450 [0,0,0,1,0,0|2,0,1]=4 198 B8R1.2 NNC1CCCCC1 74084 [0,0,0,1,0,0|2,0,0]=3 199 B8R1.2 NNC1CCCCC1 BL010400 [0,0,0,1,0,0|2,0,0]=3 200 B8R1.2 NNC1CCOCC1 20334 [0,0,0,1,0,0|3,0,0]=4 201 B8R1.2 NNC1CCOCC1 BL010345 [0,0,0,1,0,0|3,0,0]=4 202 B8R1.2 NO[C@@H]1CCCCO1 FD1322 [0,0,0,1,0,0|3,0,0]=4 203 B8R1.2 O=CC1CCCCC1 39466 [0,0,0,1,0,0|1,0,0]=2 204 B8R1.2 O=CC1CCOCC1 61400 [0,0,0,1,0,0|2,0,0]=3 205 B8R1.2 O=CC1CCSCC1 29959 [0,0,0,1,0,0|2,0,0]=3 206 B8R1.2 O=CN1CCNCC1 77876 [0,0,0,1,0,0|3,0,0]=4 207 B8R1.2 O=CN1CCOCC1 S12160 [0,0,0,1,0,0|3,0,0]=4 208 B8R1.2 O=NN1CCCCC1 D92816 [0,0,0,1,0,0|3,0,0]=4 209 B8R1.2 OCC1CCCCC1 73723 [0,0,0,1,0,0|1,0,1]=3 210 B8R1.2 OCC1CCNCC1 25838 [0,0,0,1,0,0|2,0,1]=4 211 B8R1.2 OCC1CCOCC1 66550 [0,0,0,1,0,0|2,0,1]=4 212 B8R1.2 OCC1CCSCC1 30719 [0,0,0,1,0,0|2,0,1]=4 213 B8R1.2 OC[C@@H]1CC=CCC1 AC7844 [0,0,0,1,0,0|1,0,2]=4 214 B8R1.2 OC[C@H]1CCC=CO1 60150 [0,0,0,1,0,0|2,0,1]=4 215 B8R1.2 OC[C@H]1CCCCN1 23778 [0,0,0,1,0,0|2,0,1]=4 216 B8R1.2 OC[C@H]1CCCCN1 25116 [0,0,0,1,0,0|2,0,1]=4 217 B8R1.2 OC[C@H]1CCCCN1 39317 [0,0,0,1,0,0|2,0,1]=4 218 B8R1.2 OC[C@H]1CCCCN1 69389 [0,0,0,1,0,0|2,0,1]=4 219 B8R1.2 OC[C@H]1CCCCO1 P17277 [0,0,0,1,0,0|2,0,1]=4 220 B8R1.2 OC[C@H]1CCCNC1 20066 [0,0,0,1,0,0|2,0,1]=4 221 B8R1.2 OC[C@H]1CCCNC1 25088 [0,0,0,1,0,0|2,0,1]=4 222 B8R1.2 OC[C@H]1CCCNC1 32724 [0,0,0,1,0,0|2,0,1]=4 223 B8R1.2 ONC1CCCCC1 77599 [0,0,0,1,0,0|2,0,0]=3 224 B8R1.2 ONC1CCCCC1 77600 [0,0,0,1,0,0|2,0,0]=3 225 B8R1.5 BrC1CCCCC1Br 23806 [0,0,0,1,0,0|2,0,1]=4 226 B8R1.5 Br[C@H]1CCCC[C@@H]1Br D90058 [0,0,0,1,0,0|2,0,1]=4 227 B8R1.5 CC1=NCCCN1C 67669 [0,0,0,1,0,0|2,0,1]=4 228 B8R1.5 CN1CCCNC1=O F13277 [0,0,0,1,0,0|3,0,0]=4 229 B8R1.5 CN1CCNCC1=O 26900 [0,0,0,1,0,0|3,0,0]=4 230 B8R1.5 CN1CCNCC1=O 37505 [0,0,0,1,0,0|3,0,0]=4 231 B8R1.5 C[C@@H]1NCCNC1=O 20377 [0,0,0,1,0,0|3,0,0]=4 232 B8R1.5 C[C@@H]1NCCNC1=O 20378 [0,0,0,1,0,0|3,0,0]=4 233 B8R1.5 C[C@@H]1NCCNC1=O F31149 [0,0,0,1,0,0|3,0,0]=4 234 B8R1.5 C[C@H]1CCCC[C@@H]1N S11914 [0,0,0,1,0,0|1,0,1]=3 235 B8R1.5 C[C@H]1CCCC[C@H]1C D89702 [0,0,0,1,0,0|0,0,2]=3 236 B8R1.5 C[C@H]1CCCNC1=O P10093 [0,0,0,1,0,0|2,0,0]=3 237 B8R1.5 C[C@H]1CNCCC1=O 63757 [0,0,0,1,0,0|2,0,0]=3 238 B8R1.5 C[C@H]1CNCCC1=O 67436 [0,0,0,1,0,0|2,0,0]=3 239 B8R1.5 C[C@H]1CNCCN1C 38274 [0,0,0,1,0,0|2,0,1]=4 240 B8R1.5 C[C@H]1CNCCN1C P11797 [0,0,0,1,0,0|2,0,1]=4 241 B8R1.5 FC1CCCCC1Br T71186 [0,0,0,1,0,0|2,0,1]=4 242 B8R1.5 NC1CCCCC1O AB10042 [0,0,0,1,0,0|2,0,1]=4 243 B8R1.5 N[C@@H]1CCCC[C@@H]1O 67886 [0,0,0,1,0,0|2,0,1]=4 244 B8R1.5 N[C@@H]1CCCC[C@@H]1O 67887 [0,0,0,1,0,0|2,0,1]=4 245 B8R1.5 N[C@@H]1CCCC[C@@H]1O A51241 [0,0,0,1,0,0|2,0,1]=4 246 B8R1.5 N[C@H]1CCCC[C@@H]1N 28367 [0,0,0,1,0,0|2,0,1]=4 247 B8R1.5 N[C@H]1CCCC[C@@H]1N 28369 [0,0,0,1,0,0|2,0,1]=4 248 B8R1.5 N[C@H]1CCCC[C@@H]1N F16348 [0,0,0,1,0,0|2,0,1]=4 249 B8R1.5 N[C@H]1CCCC[C@@H]1O 22869 [0,0,0,1,0,0|2,0,1]=4 250 B8R1.5 N[C@H]1CCCC[C@@H]1O 28325 [0,0,0,1,0,0|2,0,1]=4 251 B8R1.5 N[C@H]1CCCC[C@@H]1O 67740 [0,0,0,1,0,0|2,0,1]=4 252 B8R1.5 N[C@H]1CCCC[C@@H]1O 67741 [0,0,0,1,0,0|2,0,1]=4 253 B8R1.5 N[C@H]1CCCC[C@@H]1O 74387 [0,0,0,1,0,0|2,0,1]=4 254 B8R1.5 N[C@H]1CCCC[C@@H]1O H10809 [0,0,0,1,0,0|2,0,1]=4 255 B8R1.5 N[C@H]1CCCC[C@H]1N 11201 [0,0,0,1,0,0|2,0,1]=4 256 B8R1.5 N[C@H]1CCCNC1=O 23329 [0,0,0,1,0,0|3,0,0]=4 257 B8R1.5 N[C@H]1CCCNC1=O 27952 [0,0,0,1,0,0|3,0,0]=4 258 B8R1.5 N[C@H]1CCCNC1=O 51547 [0,0,0,1,0,0|3,0,0]=4 259 B8R1.5 O=C1CCCCC1=O 57324 [0,0,0,1,0,0|2,0,1]=4 260 B8R1.5 O=C1CCCC[C@@H]1Br 67635 [0,0,0,1,0,0|2,0,0]=3 261 B8R1.5 O=C1CCCC[C@@H]1Cl AC1582 [0,0,0,1,0,0|2,0,0]=3 262 B8R1.5 O=C1CCCC[C@@H]1F W17462 [0,0,0,1,0,0|2,0,0]=3 263 B8R1.5 O=C1CCNC[C@@H]1F 30735 [0,0,0,1,0,0|3,0,0]=4 264 B8R1.5 O=C1CCOC[C@@H]1F SC3231 [0,0,0,1,0,0|3,0,0]=4 265 B8R1.5 OC1CCCCC1Cl D71128 [0,0,0,1,0,0|2,0,1]=4 266 B8R1.5 OC1CCCCC1O FD9018 [0,0,0,1,0,0|2,0,1]=4 267 B8R1.5 O[C@H]1CCCC[C@@H]1F T72787 [0,0,0,1,0,0|2,0,1]=4 268 B8R1.5 O[C@H]1CCCC[C@@H]1O O12154 [0,0,0,1,0,0|2,0,1]=4 269 B8R1.8 BrCCN1CCCC1 54542 [0,0,0,1,0,0|2,0,1]=4 270 B8R1.8 CCCC1=CC=CS1 F17557 [0,0,0,1,0,0|1,0,2]=4 271 B8R1.8 CCCC1=CSC=C1 T71823 [0,0,0,1,0,0|1,0,2]=4 272 B8R1.8 CCCN1C=CC=N1 31937 [0,0,0,1,0,0|2,0,1]=4 273 B8R1.8 CCCN1C=CN=C1 D70905 [0,0,0,1,0,0|2,0,1]=4 274 B8R1.8 CCO[C@H]1CCNC1 31293 [0,0,0,1,0,0|2,0,1]=4 275 B8R1.8 CNC[C@H]1CCCN1 P18037 [0,0,0,1,0,0|2,0,1]=4 276 B8R1.8 CNC[C@H]1CCOC1 P16261 [0,0,0,1,0,0|2,0,1]=4 277 B8R1.8 COC[C@H]1CCCN1 11150 [0,0,0,1,0,0|2,0,1]=4 278 B8R1.8 ClCCN1CCCC1 27886 [0,0,0,1,0,0|2,0,1]=4 279 B8R1.8 N#CCC1CCCC1 97394 [0,0,0,1,0,0|1,0,1]=3 280 B8R1.8 N#CCN1CCCC1 29506 [0,0,0,1,0,0|2,0,1]=4 281 B8R1.8 N#CCN1CCCC1 77828 [0,0,0,1,0,0|2,0,1]=4 282 B8R1.8 NCCC1CCCC1 23538 [0,0,0,1,0,0|1,0,1]=3 283 B8R1.8 NCCN1CCCC1 AC1468 [0,0,0,1,0,0|2,0,1]=4 284 B8R1.8 OCCC1CCCC1 P10032 [0,0,0,1,0,0|1,0,1]=3 285 B8R1.8 OCCN1CCCC1 F14228 [0,0,0,1,0,0|2,0,1]=4 286 B8R1.8 OCC[C@H]1CCNC1 38792 [0,0,0,1,0,0|2,0,1]=4 287 B8R1.10 CCCOC1CNC1 28518 [0,0,0,1,0,0|2,0,1]=4 288 B8R1.11 C=CN1CCCC1=O AT18510 [0,0,0,1,0,0|2,0,1]=4 289 B8R1.11 CCN1CCCC1=O A10865 [0,0,0,1,0,0|2,0,0]=3 290 B8R1.11 CC[C@H]1CCCC1=O D83898 [0,0,0,1,0,0|1,0,0]=2 291 B8R1.11 CN1CCC[C@@H]1CN C74098 [0,0,0,1,0,0|2,0,1]=4 292 B8R1.11 CN1CCC[C@@H]1CN D82178 [0,0,0,1,0,0|2,0,1]=4 293 B8R1.11 CN1CCC[C@@H]1CO 33737 [0,0,0,1,0,0|2,0,1]=4 294 B8R1.11 CN1CCC[C@@H]1CO 33738 [0,0,0,1,0,0|2,0,1]=4 295 B8R1.11 CN1CCC[C@@H]1CO 34380 [0,0,0,1,0,0|2,0,1]=4 296 B8R1.11 N#C[C@H]1CCCC1=O BL000625 [0,0,0,1,0,0|2,0,1]=4 297 B8R1.12 OCC1CCC1CO P19699 [0,0,0,1,0,0|2,0,1]=4 298 B8R1.22 C=C1OCCCCO1 A10906 [0,0,0,1,0,0|2,0,0]=3 299 B8R1.22 CN1CCCNCC1 63976 [0,0,0,1,0,0|2,0,1]=4 300 B8R1.22 C[C@H]1CCCNCC1 72644 [0,0,0,1,0,0|1,0,2]=4 301 B8R1.22 ClC1CCCCCC1 D81846 [0,0,0,1,0,0|1,0,1]=3 302 B8R1.22 NC1CCCCCC1 F19821 [0,0,0,1,0,0|1,0,1]=3 303 B8R1.22 N[C@H]1CCCCNC1 51061 [0,0,0,1,0,0|2,0,1]=4 304 B8R1.22 N[C@H]1CCCCNC1 51996 [0,0,0,1,0,0|2,0,1]=4 305 B8R1.22 N[C@H]1CCCCNC1 A56046 [0,0,0,1,0,0|2,0,1]=4 306 B8R1.22 O=C1C=CCCCC1 S10329 [0,0,0,1,0,0|1,0,1]=3 307 B8R1.22 O=C1CCCCCN1 D70254 [0,0,0,1,0,0|2,0,0]=3 308 B8R1.22 O=C1CCCCCO1 D70255 [0,0,0,1,0,0|2,0,0]=3 309 B8R1.22 O=C1CCCNCC1 VT1100 [0,0,0,1,0,0|2,0,0]=3 310 B8R1.22 O=C1CCNCCN1 23498 [0,0,0,1,0,0|3,0,0]=4 311 B8R1.22 O=C1CCOCCN1 F13212 [0,0,0,1,0,0|3,0,0]=4 312 B8R1.22 O=C1CCSCCN1 W16383 [0,0,0,1,0,0|3,0,0]=4 313 B8R1.22 O=C1CNCCCN1 71619 [0,0,0,1,0,0|3,0,0]=4 314 B8R1.22 O=C1CNCCCN1 86465 [0,0,0,1,0,0|3,0,0]=4 315 B8R1.22 OC1CCCCCC1 D89285 [0,0,0,1,0,0|1,0,1]=3 316 B8R1.22 O[C@H]1CCCNCC1 36657 [0,0,0,1,0,0|2,0,1]=4 317 B8R1.22 O[C@H]1CCCNCC1 62252 [0,0,0,1,0,0|2,0,1]=4 318 B8R1.49 C1=CCCC=CCC1 A12423 [0,0,0,1,0,0|0,0,2]=3 319 B8R1.49 C1=CCCC=CCC1 C71725 [0,0,0,1,0,0|0,0,2]=3 320 B8R1.49 C1=CCCC=CCC1 D81874 [0,0,0,1,0,0|0,0,2]=3 321 B8R1.49 C1=CCCC=CCC1 D83030 [0,0,0,1,0,0|0,0,2]=3 322 B8R1.49 C1=CCCC=CCC1 D83200 [0,0,0,1,0,0|0,0,2]=3 323 B8R1.49 C1=CCCC=CCC1 D88542 [0,0,0,1,0,0|0,0,2]=3 324 B8R1.49 C1=CCCC=CCC1 F16649 [0,0,0,1,0,0|0,0,2]=3 325 B8R1.49 C1=CCCC=CCC1 P17150 [0,0,0,1,0,0|0,0,2]=3 326 B8R1.49 C1=CCCCCC=C1 D89259 [0,0,0,1,0,0|0,0,2]=3 327 B8R1.49 C1=CCCCCCC1 D89499 [0,0,0,1,0,0|0,0,0]=1 328 B5R0.2 BrCCCCBr D77910 [2,0,0,0,0,0|2,0,0]=4 329 B5R0.2 C#CCCCC 75209 [2,0,0,0,0,0|0,0,2]=4 330 B5R0.2 C=CCCCBr 78391 [2,0,0,0,0,0|1,0,0]=3 331 B5R0.2 C=CCCCCl O11411 [2,0,0,0,0,0|1,0,0]=3 332 B5R0.2 C=CCCCN 68255 [2,0,0,0,0,0|1,0,0]=3 333 B5R0.2 C=CCCCN 86153 [2,0,0,0,0,0|1,0,0]=3 334 B5R0.2 C=CCCCO 76184 [2,0,0,0,0,0|1,0,0]=3 335 B5R0.2 C=CCSSC D88486 [2,0,0,0,0,0|2,0,0]=4 336 B5R0.2 C=COCCO D78209 [2,0,0,0,0,0|2,0,0]=4 337 B5R0.2 CCCCNN F17594 [2,0,0,0,0,0|2,0,0]=4 338 B5R0.2 CCCCON H11431 [2,0,0,0,0,0|2,0,0]=4 339 B5R0.2 CCCNCC F21346 [2,0,0,0,0,0|1,0,0]=3 340 B5R0.2 CCNCCN AB11316 [2,0,0,0,0,0|2,0,0]=4 341 B5R0.2 CCNCCO 20098 [2,0,0,0,0,0|2,0,0]=4 342 B5R0.2 CCOCCCl 29431 [2,0,0,0,0,0|2,0,0]=4 343 B5R0.2 CCSCCCl D89330 [2,0,0,0,0,0|2,0,0]=4 344 B5R0.2 CCSSCC D89662 [2,0,0,0,0,0|2,0,0]=4 345 B5R0.2 CNCCCCl F16501 [2,0,0,0,0,0|2,0,0]=4 346 B5R0.2 CNCCCN 37144 [2,0,0,0,0,0|2,0,0]=4 347 B5R0.2 CNCCCO 36133 [2,0,0,0,0,0|2,0,0]=4 348 B5R0.2 CNCCNC 39416 [2,0,0,0,0,0|2,0,0]=4 349 B5R0.2 CNCCOC D70346 [2,0,0,0,0,0|2,0,0]=4 350 B5R0.2 CNCCSC AC2521 [2,0,0,0,0,0|2,0,0]=4 351 B5R0.2 COCCCBr F11235 [2,0,0,0,0,0|2,0,0]=4 352 B5R0.2 COCCCCl H11766 [2,0,0,0,0,0|2,0,0]=4 353 B5R0.2 COCCCN D81053 [2,0,0,0,0,0|2,0,0]=4 354 B5R0.2 COCCOC D81126 [2,0,0,0,0,0|2,0,0]=4 355 B5R0.2 COCCOC D83907 [2,0,0,0,0,0|2,0,0]=4 356 B5R0.2 COCCOC F16635 [2,0,0,0,0,0|2,0,0]=4 357 B5R0.2 CSCCCO 79218 [2,0,0,0,0,0|2,0,0]=4 358 B5R0.2 CSCCC[NH3+] D91382 [2,0,0,0,0,0|2,0,0]=4 359 B5R0.2 C\C=C/CCC D90857 [2,0,0,0,0,0|0,0,2]=4 360 B5R0.2 ClCCCCBr F11271 [2,0,0,0,0,0|2,0,0]=4 361 B5R0.2 ClCCCCI A10998 [2,0,0,0,0,0|2,0,0]=4 362 B5R0.2 FCCCCBr D87758 [2,0,0,0,0,0|2,0,0]=4 363 B5R0.2 ICCCCI AC1274 [2,0,0,0,0,0|2,0,0]=4 364 B5R0.2 NCCCCBr 24475 [2,0,0,0,0,0|2,0,0]=4 365 B5R0.2 NCCCCN F17678 [2,0,0,0,0,0|2,0,0]=4 366 B5R0.2 NCCCCN N11902 [2,0,0,0,0,0|2,0,0]=4 367 B5R0.2 NCCCCO 51530 [2,0,0,0,0,0|2,0,0]=4 368 B5R0.2 OCCCCBr 54526 [2,0,0,0,0,0|2,0,0]=4 369 B5R0.2 OCCCCCl F11085 [2,0,0,0,0,0|2,0,0]=4 370 B5R0.2 OCCCCI D81265 [2,0,0,0,0,0|2,0,0]=4 371 B7R0.3 C#C[C@@H](O)CCCC D90876 [1,1,0,0,0,0|0,0,2]=4 372 B7R0.3 C=CCC[C@H](Br)CBr T70912 [1,1,0,0,0,0|1,0,0]=3 373 B7R0.3 CCCCC(=O)CC D90783 [1,1,0,0,0,0|0,0,2]=4 374 B7R0.3 CCCC[C@H](Br)CBr D93164 [1,1,0,0,0,0|1,0,0]=3 375 B7R0.3 CCCC[C@H](N)CO A11352 [1,1,0,0,0,0|1,0,0]=3 376 B7R0.3 CCCC[C@H](N)CO N12322 [1,1,0,0,0,0|1,0,0]=3 377 B7R0.3 CCCC[C@H](O)CO F11270 [1,1,0,0,0,0|1,0,0]=3 378 B7R0.3 CCOC[C@@H](O)CO H11846 [1,1,0,0,0,0|2,0,0]=4 379 B7R0.3 CSCC[C@H](N)CO T72236 [1,1,0,0,0,0|2,0,0]=4 380 B7R0.3 OCCC[C@H](O)CO T71793 [1,1,0,0,0,0|2,0,0]=4 381 B7R0.4 C=CCCCB(O)O I12040 [1,1,0,0,0,0|2,0,0]=4 382 B7R0.4 C=CCCCC(=O)O D86337 [1,1,0,0,0,0|1,0,1]=4 383 B7R0.4 C=CCCOC(C)=O 74074 [1,1,0,0,0,0|1,0,1]=4 384 B7R0.4 CC(=O)CCCCCl D89394 [1,1,0,0,0,0|1,0,1]=4 385 B7R0.4 CC(C)CCCCO D94723 [1,1,0,0,0,0|1,0,0]=3 386 B7R0.4 CC(C)NCCCO H11834 [1,1,0,0,0,0|2,0,0]=4 387 B7R0.4 CCCCCB(O)O 33673 [1,1,0,0,0,0|2,0,0]=4 388 B7R0.4 CCCCCC(=O)[O-] D82015 [1,1,0,0,0,0|1,0,0]=3 389 B7R0.4 CCCCCC(N)=O D89187 [1,1,0,0,0,0|1,0,0]=3 390 B7R0.4 CCCCC[C@H](C)N D90921 [1,1,0,0,0,0|0,0,1]=3 391 B7R0.4 CCCCC[C@H](C)O D83253 [1,1,0,0,0,0|0,0,1]=3 392 B7R0.4 CCCCNC(N)=O D88864 [1,1,0,0,0,0|2,0,0]=4 393 B7R0.4 CCCCNC(N)=S T70321 [1,1,0,0,0,0|2,0,0]=4 394 B7R0.4 CCCCOC(=S)[S-] D82014 [1,1,0,0,0,0|2,0,0]=4 395 B7R0.4 CCCCOC(C)C D93400 [1,1,0,0,0,0|1,0,1]=4 396 B7R0.4 CCCCOC(N)=O D89279 [1,1,0,0,0,0|2,0,0]=4 397 B7R0.4 CCCCSC(C)=O 79049 [1,1,0,0,0,0|1,0,1]=4 398 B7R0.4 CN(C)CCCCN 76925 [1,1,0,0,0,0|2,0,0]=4 399 B7R0.4 CNCCCC(=O)O 20515 [1,1,0,0,0,0|2,0,0]=4 400 B7R0.4 CNCCCC(=O)O AB7427 [1,1,0,0,0,0|2,0,0]=4 401 B7R0.4 C[C@H](O)CNCCN D90833 [1,1,0,0,0,0|2,0,0]=4 402 B7R0.4 C[C@H](O)CNCCO C13406 [1,1,0,0,0,0|2,0,0]=4 403 B7R0.4 NCCCCC(=O)O 76219 [1,1,0,0,0,0|2,0,0]=4 404 B7R0.4 NCCCCC(=O)O D78140 [1,1,0,0,0,0|2,0,0]=4 405 B7R0.4 O=C(Cl)CCCCBr H11319 [1,1,0,0,0,0|2,0,0]=4 406 B7R0.4 O=C(Cl)CCCCCl D89459 [1,1,0,0,0,0|2,0,0]=4 407 B7R0.4 O=C(O)CCCCBr 76255 [1,1,0,0,0,0|2,0,0]=4 408 B7R0.4 O=C(O)CCCCCl C10667 [1,1,0,0,0,0|2,0,0]=4 409 B7R0.4 O=C([O-])CCCCO F13839 [1,1,0,0,0,0|2,0,0]=4 410 B7R0.7 C=CCC(=O)OCC 74919 [1,1,0,0,0,0|1,0,1]=4 411 B7R0.7 C=CCC(O)CC=C 62104 [1,1,0,0,0,0|0,0,2]=4 412 B7R0.7 C=CCN(C)CCO D83705 [1,1,0,0,0,0|2,0,0]=4 413 B7R0.7 CCCC(N)CCC 28065 [1,1,0,0,0,0|0,0,1]=3 414 B7R0.7 CCCC(O)CCC H10221 [1,1,0,0,0,0|0,0,1]=3 415 B7R0.7 CCCN(C)CCC D95729 [1,1,0,0,0,0|1,0,1]=4 416 B7R0.7 CCC[C@H](C)CCO T71716 [1,1,0,0,0,0|1,0,0]=3 417 B7R0.7 CCC[C@H](S)CCO D84193 [1,1,0,0,0,0|1,0,0]=3 418 B9R0.4 CCCC[C@H](N)CC(=O)O 29775 [0,2,0,0,0,0|1,0,0]=3 419 B9R0.5 CCCCC[C@@H](C)CCC T71919 [0,2,0,0,0,0|0,0,2]=4 420 B9R0.18 CCCCC(N)CCCC 81547 [0,2,0,0,0,0|0,0,2]=4 421 B9R0.18 CCCCC(O)CCCC D91684 [0,2,0,0,0,0|0,0,2]=4 422 B9R0.35 C=CC[C@H](C)C(=O)OCC D90556 [0,2,0,0,0,0|1,0,1]=4 423 B9R0.66 C#CC[C@@](C)(O)CCCC AC1974 [0,2,0,0,0,0|0,0,2]=4 424 B9R0.2 CC(=O)NCCCCCN F14796 [0,2,0,0,0,0|1,0,1]=4 425 B9R0.2 CC(=O)OCCCCCBr D70120 [0,2,0,0,0,0|1,0,1]=4 426 B9R0.2 CC(C)NCCCCCO H11897 [0,2,0,0,0,0|1,0,1]=4 427 B9R0.2 CCCCCCCB(O)O F30119 [0,2,0,0,0,0|1,0,1]=4 428 B9R0.2 CCCCCCCC(N)=O D91840 [0,2,0,0,0,0|0,0,1]=3 429 B9R0.2 CCCCCCNC(N)=S D97364 [0,2,0,0,0,0|1,0,0]=3 430 B9R0.2 CCCNCCCN(C)C D97633 [0,2,0,0,0,0|1,0,1]=4 431 B9R0.2 COCCCCOC(C)=O D88465 [0,2,0,0,0,0|1,0,1]=4 432 B9R0.2 NCCCCCCC(=O)O 33797 [0,2,0,0,0,0|1,0,0]=3 433 B9R0.2 NCCCCCCC(=O)O F11866 [0,2,0,0,0,0|1,0,0]=3 434 B9R0.2 O=C(O)CCCCCCBr F11868 [0,2,0,0,0,0|1,0,0]=3 435 B9R0.2 O=C(O)CCCCCCO O11656 [0,2,0,0,0,0|1,0,0]=3 436 B9R0.45 BrCCCCCCCCBr O10358 [0,2,0,0,0,0|0,0,2]=4 437 B9R0.45 C#CCCC#CCCCC D83407 [0,2,0,0,0,0|0,0,2]=4 438 B9R0.45 C#CCCCCCCCC F11366 [0,2,0,0,0,0|0,0,2]=4 439 B9R0.45 C#CCCCCCCCO W16725 [0,2,0,0,0,0|0,0,2]=4 440 B9R0.45 C=CCCCCCCC=C D89618 [0,2,0,0,0,0|0,0,0]=2 441 B9R0.45 C=CCCCCCCCBr I11993 [0,2,0,0,0,0|0,0,0]=2 442 B9R0.45 C=CCCCCCCCCl N12233 [0,2,0,0,0,0|0,0,0]=2 443 B9R0.45 C=CCCCCCCCO D91757 [0,2,0,0,0,0|0,0,0]=2 444 B9R0.45 CCCCC#CCCCC D73342 [0,2,0,0,0,0|0,0,2]=4 445 B9R0.45 CCCCCCCCC#N D91888 [0,2,0,0,0,0|0,0,2]=4 446 B9R0.45 CCCCCCCCCI D91171 [0,2,0,0,0,0|0,0,2]=4 447 B9R0.45 CCCCCCCCCO D70513 [0,2,0,0,0,0|0,0,2]=4 448 B9R0.45 CCCCCCCCNC O12029 [0,2,0,0,0,0|0,0,2]=4 449 B9R0.45 CCCCCCCNCC D90566 [0,2,0,0,0,0|0,0,2]=4 450 B9R0.45 CCCCCC\C=C/CO D91736 [0,2,0,0,0,0|0,0,0]=2 451 B9R0.45 CCCCCC\C=C\C=O D91718 [0,2,0,0,0,0|0,0,0]=2 452 B9R0.45 CCCCNCCCCO D88720 [0,2,0,0,0,0|0,0,2]=4 453 B9R0.45 CCCC\C=C\C=C\C=O D91726 [0,2,0,0,0,0|0,0,2]=4 454 B9R0.45 CC\C=C/CCCCCO D91715 [0,2,0,0,0,0|1,0,0]=3 455 B9R0.45 CC\C=C/CC\C=C\C=O D95362 [0,2,0,0,0,0|0,0,2]=4 456 B9R0.45 CC\C=C\CC\C=C\CO D91740 [0,2,0,0,0,0|0,0,2]=4 457 B9R0.45 CNCCCCCCNC F17013 [0,2,0,0,0,0|0,0,2]=4 458 B9R0.45 COCCCCCCOC D90120 [0,2,0,0,0,0|0,0,2]=4 459 B9R0.45 ClCCCCCCCCCl O10360 [0,2,0,0,0,0|0,0,2]=4 460 B9R0.45 ICCCCCCCCI F19540 [0,2,0,0,0,0|0,0,2]=4 461 B9R0.45 N#CCCCCCCC#N A10750 [0,2,0,0,0,0|1,0,1]=4 462 B9R0.45 NCCCCCCCCN F21311 [0,2,0,0,0,0|0,0,2]=4 463 B9R0.45 NCCCCCCCCO H11908 [0,2,0,0,0,0|0,0,2]=4 464 B9R0.45 NCCCCNCCCN D95527 [0,2,0,0,0,0|1,0,1]=4 465 B9R0.45 OCCCCCCCCBr 54574 [0,2,0,0,0,0|0,0,2]=4 466 B9R0.45 OCCCCCCCCCl AC2187 [0,2,0,0,0,0|0,0,2]=4 467 B9R0.45 OCCCCCCCCO O12036 [0,2,0,0,0,0|0,0,2]=4 468 B9R0.45 SCCCCCCCCS D91866 [0,2,0,0,0,0|0,0,2]=4 469 B9R0.46 CCCCCCC(=O)OC D90782 [0,2,0,0,0,0|0,0,1]=3 470 B9R0.46 CCCCCC[C@H](O)CO F21409 [0,2,0,0,0,0|0,0,2]=4 471 B9R0.46 COC(=O)CCCCC=O C76096 [0,2,0,0,0,0|1,0,1]=4 472 B9R0.46 COC(=O)CCCCCBr AC7709 [0,2,0,0,0,0|1,0,1]=4 473 B9R0.46 COC(=O)CCCCCN 24451 [0,2,0,0,0,0|1,0,1]=4 474 B9R0.46 COC(=O)CCCCCO D97618 [0,2,0,0,0,0|1,0,1]=4 475 B9R0.1 C=C(C)CCCC(=O)OC C74671 [0,2,0,0,0,0|1,0,1]=4 476 B9R0.24 CC[C@H](O)CC[C@@H](O)CC D94487 [0,2,0,0,0,0|0,0,2]=4 477 B9R0.47 C=C(F)C(=O)OCCCC D83944 [0,2,0,0,0,0|1,0,1]=4 478 B9R0.47 CCCCC[C@H](C)C(=O)O D91473 [0,2,0,0,0,0|1,0,0]=3 479 B9R0.47 CCCCC[C@H](N)C(=O)O C71385 [0,2,0,0,0,0|1,0,0]=3 480 B9R0.47 CCSCC[C@H](N)C(=O)O 30126 [0,2,0,0,0,0|2,0,0]=4 481 B9R0.47 NCCCC[C@H](N)C(=O)O 23029 [0,2,0,0,0,0|2,0,0]=4 482 B9R0.47 NCCCC[C@H](N)C(=O)O 26700 [0,2,0,0,0,0|2,0,0]=4 483 B9R0.47 NCCCC[C@H](N)C(=O)O 70041 [0,2,0,0,0,0|2,0,0]=4 484 B9R0.47 NCCCC[C@H](N)C(=O)O AC7885 [0,2,0,0,0,0|2,0,0]=4 485 B9R0.47 NCCCC[C@H](N)C(=O)O D70557 [0,2,0,0,0,0|2,0,0]=4 486 B9R0.47 NCCCC[C@H](N)C(=O)O D70613 [0,2,0,0,0,0|2,0,0]=4 487 B9R0.47 NCCCC[C@H](N)C(=O)O F11082 [0,2,0,0,0,0|2,0,0]=4 488 B9R0.47 NCCCC[C@H](N)C(=O)O FD20004 [0,2,0,0,0,0|2,0,0]=4 489 B9R0.47 NCCCC[C@H](N)C(=O)O S10365 [0,2,0,0,0,0|2,0,0]=4 490 B9R0.47 NCCCC[C@H](N)C(N)=O F10910 [0,2,0,0,0,0|2,0,0]=4 491 B9R0.50 CCCCCC(CO)CO 36757 [0,2,0,0,0,0|1,0,1]=4 492 B9R0.38 CCCCCCC(C)(C)O D93517 [0,2,0,0,0,0|0,0,2]=4 493 B9R0.38 CCCCCCS(=O)(=O)[O-] F10020 [0,2,0,0,0,0|2,0,0]=4 494 B9R0.38 CCCCCCS(=O)(=O)[O-] F10030 [0,2,0,0,0,0|2,0,0]=4 495 B9R0.38 CCCCCC[N+](C)(C)C D90893 [0,2,0,0,0,0|1,0,1]=4 496 B9R0.38 CCCCCC[Si](C)(C)Cl D89556 [0,2,0,0,0,0|0,1,1]=4 497 B9R0.55 CC(=O)CCCCC(=O)O AT14509 [0,2,0,0,0,0|1,0,1]=4 498 B9R0.55 CN(C)CCCCC(=O)O 29149 [0,2,0,0,0,0|2,0,0]=4 499 B9R0.55 CN(C)CCCCC(=O)O 31841 [0,2,0,0,0,0|2,0,0]=4 500 B7R1.1 BrCC1CCCC1 54494 [1,0,0,1,0,0|1,0,0]=3 501 B7R1.1 BrC[C@H]1CCCO1 P10030 [1,0,0,1,0,0|2,0,0]=4 502 B7R1.1 C#CC1CCCC1 F16298 [1,0,0,1,0,0|0,0,2]=4 503 B7R1.1 CCC1=CCC=C1 F14114 [1,0,0,1,0,0|0,0,2]=4 504 B7R1.1 CCN1CCCC1 F17079 [1,0,0,1,0,0|1,0,1]=4 505 B7R1.1 CNC1CCCC1 F20064 [1,0,0,1,0,0|1,0,1]=4 506 B7R1.1 ClC[C@H]1CCCO1 D78464 [1,0,0,1,0,0|2,0,0]=4 507 B7R1.1 ICC1CCCC1 53338 [1,0,0,1,0,0|1,0,0]=3 508 B7R1.1 IC[C@H]1CCOC1 P10359 [1,0,0,1,0,0|2,0,0]=4 509 B7R1.1 N#CC1CCCC1 35375 [1,0,0,1,0,0|1,0,1]=4 510 B7R1.1 NCC1CCCC1 52183 [1,0,0,1,0,0|1,0,0]=3 511 B7R1.1 NC[C@H]1CCCN1 36336 [1,0,0,1,0,0|2,0,0]=4 512 B7R1.1 NC[C@H]1CCCN1 38156 [1,0,0,1,0,0|2,0,0]=4 513 B7R1.1 NC[C@H]1CCOC1 37315 [1,0,0,1,0,0|2,0,0]=4 514 B7R1.1 NC[C@H]1CCOC1 SC2551 [1,0,0,1,0,0|2,0,0]=4 515 B7R1.1 NNC1CCCC1 AB1370 [1,0,0,1,0,0|2,0,0]=4 516 B7R1.1 O=CC1CCCC1 H11353 [1,0,0,1,0,0|1,0,0]=3 517 B7R1.1 O=CN1CCCC1 D83491 [1,0,0,1,0,0|2,0,0]=4 518 B7R1.1 O=C[C@H]1CCOC1 I10170 [1,0,0,1,0,0|2,0,0]=4 519 B7R1.1 OCC1CCCC1 23321 [1,0,0,1,0,0|1,0,0]=3 520 B7R1.1 OC[C@H]1CCCN1 11146 [1,0,0,1,0,0|2,0,0]=4 521 B7R1.1 OC[C@H]1CCCN1 11148 [1,0,0,1,0,0|2,0,0]=4 522 B7R1.1 OC[C@H]1CCCN1 F10903 [1,0,0,1,0,0|2,0,0]=4 523 B7R1.1 OC[C@H]1CCCO1 D77646 [1,0,0,1,0,0|2,0,0]=4 524 B7R1.1 OC[C@H]1CCCO1 W18447 [1,0,0,1,0,0|2,0,0]=4 525 B7R1.1 OC[C@H]1CCNC1 25702 [1,0,0,1,0,0|2,0,0]=4 526 B7R1.1 OC[C@H]1CCNC1 62385 [1,0,0,1,0,0|2,0,0]=4 527 B7R1.1 OC[C@H]1CCNC1 62386 [1,0,0,1,0,0|2,0,0]=4 528 B7R1.1 OC[C@H]1CCNC1 62387 [1,0,0,1,0,0|2,0,0]=4 529 B7R1.1 OC[C@H]1CCOC1 83670 [1,0,0,1,0,0|2,0,0]=4 530 B7R1.3 BrC1=CCCCC1 N12373 [1,0,0,1,0,0|1,0,1]=4 531 B7R1.3 BrC1CCCCC1 P19773 [1,0,0,1,0,0|1,0,0]=3 532 B7R1.3 BrC1CCNCC1 CL3102 [1,0,0,1,0,0|2,0,0]=4 533 B7R1.3 BrC1CCOCC1 34656 [1,0,0,1,0,0|2,0,0]=4 534 B7R1.3 Br[C@@H]1C=CCCC1 25070 [1,0,0,1,0,0|1,0,0]=3 535 B7R1.3 Br[C@H]1CCCNC1 P16558 [1,0,0,1,0,0|2,0,0]=4 536 B7R1.3 Br[C@H]1CCCOC1 26576 [1,0,0,1,0,0|2,0,0]=4 537 B7R1.3 CC1=CCCCC1 H10759 [1,0,0,1,0,0|0,0,1]=3 538 B7R1.3 CC1=CCCNC1 39250 [1,0,0,1,0,0|1,0,1]=4 539 B7R1.3 CC1=CCNCC1 39249 [1,0,0,1,0,0|1,0,1]=4 540 B7R1.3 CC1SCCCS1 D75611 [1,0,0,1,0,0|2,0,0]=4 541 B7R1.3 C[C@H]1CCCCN1 64251 [1,0,0,1,0,0|1,0,0]=3 542 B7R1.3 C[C@H]1CCCCN1 64253 [1,0,0,1,0,0|1,0,0]=3 543 B7R1.3 C[C@H]1CCCNC1 79119 [1,0,0,1,0,0|1,0,1]=4 544 B7R1.3 C[C@H]1CCCNC1 N10739 [1,0,0,1,0,0|1,0,1]=4 545 B7R1.3 C[C@H]1CNCCN1 29363 [1,0,0,1,0,0|2,0,0]=4 546 B7R1.3 C[C@H]1CNCCN1 29364 [1,0,0,1,0,0|2,0,0]=4 547 B7R1.3 C[C@H]1CNCCN1 29365 [1,0,0,1,0,0|2,0,0]=4 548 B7R1.3 C[C@H]1CNCCN1 29366 [1,0,0,1,0,0|2,0,0]=4 549 B7R1.3 C[C@H]1CNCCO1 27675 [1,0,0,1,0,0|2,0,0]=4 550 B7R1.3 C[C@H]1CNCCO1 F13092 [1,0,0,1,0,0|2,0,0]=4 551 B7R1.3 C[C@H]1COCCN1 24436 [1,0,0,1,0,0|2,0,0]=4 552 B7R1.3 C[C@H]1COCCN1 25281 [1,0,0,1,0,0|2,0,0]=4 553 B7R1.3 C[C@H]1COCCN1 36208 [1,0,0,1,0,0|2,0,0]=4 554 B7R1.3 C[C@H]1COCCN1 39286 [1,0,0,1,0,0|2,0,0]=4 555 B7R1.3 C[C@H]1COCCN1 63476 [1,0,0,1,0,0|2,0,0]=4 556 B7R1.3 ClC1CCNCC1 57750 [1,0,0,1,0,0|2,0,0]=4 557 B7R1.3 ClC1CCOCC1 F17652 [1,0,0,1,0,0|2,0,0]=4 558 B7R1.3 FC1CCNCC1 37042 [1,0,0,1,0,0|2,0,0]=4 559 B7R1.3 FC1CCNCC1 I11481 [1,0,0,1,0,0|2,0,0]=4 560 B7R1.3 F[C@H]1CCCNC1 37083 [1,0,0,1,0,0|2,0,0]=4 561 B7R1.3 IC1CCCCC1 F20359 [1,0,0,1,0,0|1,0,0]=3 562 B7R1.3 IC1CCOCC1 25900 [1,0,0,1,0,0|2,0,0]=4 563 B7R1.3 NC1CCNCC1 66081 [1,0,0,1,0,0|2,0,0]=4 564 B7R1.3 NC1CCNCC1 66087 [1,0,0,1,0,0|2,0,0]=4 565 B7R1.3 NC1CCOCC1 66544 [1,0,0,1,0,0|2,0,0]=4 566 B7R1.3 NC1CCOCC1 83442 [1,0,0,1,0,0|2,0,0]=4 567 B7R1.3 NC1CCOCC1 D95622 [1,0,0,1,0,0|2,0,0]=4 568 B7R1.3 NC1CCSCC1 F15695 [1,0,0,1,0,0|2,0,0]=4 569 B7R1.3 NC1CCSCC1 SC1591 [1,0,0,1,0,0|2,0,0]=4 570 B7R1.3 NN1CCCCC1 77856 [1,0,0,1,0,0|2,0,0]=4 571 B7R1.3 NN1CCCCC1 78303 [1,0,0,1,0,0|2,0,0]=4 572 B7R1.3 N[C@H]1CCCNC1 51800 [1,0,0,1,0,0|2,0,0]=4 573 B7R1.3 N[C@H]1CCCNC1 51802 [1,0,0,1,0,0|2,0,0]=4 574 B7R1.3 N[C@H]1CCCNC1 51816 [1,0,0,1,0,0|2,0,0]=4 575 B7R1.3 N[C@H]1CCCNC1 D77676 [1,0,0,1,0,0|2,0,0]=4 576 B7R1.3 N[C@H]1CCCOC1 53314 [1,0,0,1,0,0|2,0,0]=4 577 B7R1.3 N[C@H]1CCCOC1 69737 [1,0,0,1,0,0|2,0,0]=4 578 B7R1.3 N[C@H]1CCCOC1 P10539 [1,0,0,1,0,0|2,0,0]=4 579 B7R1.3 O=C1CCCCN1 F10312 [1,0,0,1,0,0|2,0,0]=4 580 B7R1.3 O=C1CCCCO1 20506 [1,0,0,1,0,0|2,0,0]=4 581 B7R1.3 O=C1CCCNC1 36189 [1,0,0,1,0,0|2,0,0]=4 582 B7R1.3 O=C1CCCNC1 65124 [1,0,0,1,0,0|2,0,0]=4 583 B7R1.3 O=C1CCCOC1 67990 [1,0,0,1,0,0|2,0,0]=4 584 B7R1.3 O=C1CCCSC1 38182 [1,0,0,1,0,0|2,0,0]=4 585 B7R1.3 O=C1CCNCC1 AB2978 [1,0,0,1,0,0|2,0,0]=4 586 B7R1.3 O=C1CCNCC1 AB7716 [1,0,0,1,0,0|2,0,0]=4 587 B7R1.3 O=C1CCOCC1 28100 [1,0,0,1,0,0|2,0,0]=4 588 B7R1.3 O=C1CCSCC1 34742 [1,0,0,1,0,0|2,0,0]=4 589 B7R1.3 OC1CCNCC1 34448 [1,0,0,1,0,0|2,0,0]=4 590 B7R1.3 OC1CCNCC1 67739 [1,0,0,1,0,0|2,0,0]=4 591 B7R1.3 OC1CCOCC1 67293 [1,0,0,1,0,0|2,0,0]=4 592 B7R1.3 OC1CCSCC1 25187 [1,0,0,1,0,0|2,0,0]=4 593 B7R1.3 ON1CCCCC1 65654 [1,0,0,1,0,0|2,0,0]=4 594 B7R1.3 O[C@@H]1C=CCCC1 59596 [1,0,0,1,0,0|1,0,0]=3 595 B7R1.3 O[C@@H]1CCCCO1 F19855 [1,0,0,1,0,0|2,0,0]=4 596 B7R1.3 O[C@H]1CCCNC1 29155 [1,0,0,1,0,0|2,0,0]=4 597 B7R1.3 O[C@H]1CCCNC1 29156 [1,0,0,1,0,0|2,0,0]=4 598 B7R1.3 O[C@H]1CCCNC1 29157 [1,0,0,1,0,0|2,0,0]=4 599 B7R1.3 O[C@H]1CCCNC1 37164 [1,0,0,1,0,0|2,0,0]=4 600 B7R1.3 O[C@H]1CCCNC1 67738 [1,0,0,1,0,0|2,0,0]=4 601 B7R1.3 O[C@H]1CCCNC1 P10773 [1,0,0,1,0,0|2,0,0]=4 602 B7R1.3 O[C@H]1CCCOC1 25828 [1,0,0,1,0,0|2,0,0]=4 603 B7R1.4 CC1OCCC1S AT13652 [1,0,0,1,0,0|2,0,0]=4 604 B7R1.4 CN1CCCC1=O D78116 [1,0,0,1,0,0|2,0,0]=4 605 B7R1.4 CN1CCCC1=S F16372 [1,0,0,1,0,0|2,0,0]=4 606 B7R1.4 C[C@@H]1OCCC1=O O10840 [1,0,0,1,0,0|2,0,0]=4 607 B7R1.4 C[C@@H]1SCCC1=O AC7518 [1,0,0,1,0,0|2,0,0]=4 608 B7R1.4 C[C@H]1CCCC1=O 29606 [1,0,0,1,0,0|1,0,0]=3 609 B7R1.4 C[C@H]1CCOC1=O D70164 [1,0,0,1,0,0|2,0,0]=4 610 B7R1.4 NC1CCCC1O 25425 [1,0,0,1,0,0|2,0,0]=4 611 B7R1.4 N[C@@H]1CCC[C@@H]1O 26214 [1,0,0,1,0,0|2,0,0]=4 612 B7R1.4 N[C@@H]1CCC[C@@H]1O 35677 [1,0,0,1,0,0|2,0,0]=4 613 B7R1.4 N[C@@H]1CCC[C@@H]1O P18490 [1,0,0,1,0,0|2,0,0]=4 614 B7R1.4 N[C@H]1CCC[C@@H]1O 28945 [1,0,0,1,0,0|2,0,0]=4 615 B7R1.4 N[C@H]1CCC[C@@H]1O 34523 [1,0,0,1,0,0|2,0,0]=4 616 B7R1.4 N[C@H]1CCC[C@@H]1O P15627 [1,0,0,1,0,0|2,0,0]=4 617 B7R1.4 O=C1CCC[C@@H]1Cl F10995 [1,0,0,1,0,0|2,0,0]=4 618 B7R1.4 OC1CCCC1O 31469 [1,0,0,1,0,0|2,0,0]=4 619 B7R1.4 O[C@H]1CCC[C@@H]1Cl AC7912 [1,0,0,1,0,0|2,0,0]=4 620 B7R1.4 O[C@H]1CCC[C@@H]1O AC7934 [1,0,0,1,0,0|2,0,0]=4 621 B7R1.6 COC[C@H]1CCN1 P13481 [1,0,0,1,0,0|2,0,0]=4 622 B7R1.6 COC[C@H]1CCN1 P14494 [1,0,0,1,0,0|2,0,0]=4 623 B7R1.6 NCCN1CCC1 P15319 [1,0,0,1,0,0|2,0,0]=4 624 B7R1.6 NNCC1CCC1 D93648 [1,0,0,1,0,0|2,0,0]=4 625 B7R1.7 C=CCC[C@H]1CO1 F17137 [1,0,0,1,0,0|1,0,0]=3 626 B7R1.7 CCNCC1CC1 F14236 [1,0,0,1,0,0|1,0,1]=4 627 B7R1.24 C1CNCCNC1 F10906 [1,0,0,1,0,0|2,0,0]=4 628 B7R1.24 C1CNCCOC1 31105 [1,0,0,1,0,0|2,0,0]=4 629 B9R1.2 CNC1CCCC(O)C1 AB7429 [0,1,0,1,0,0|1,0,1]=4 630 B9R1.2 NCC1CCCC(O)C1 31886 [0,1,0,1,0,0|1,0,1]=4 631 B9R1.7 CCCC1=CC(=O)OC1 E70333 [0,1,0,1,0,0|1,0,1]=4 632 B9R1.7 CCC[C@@H]1CNC(=O)C1 W17994 [0,1,0,1,0,0|1,0,1]=4 633 B9R1.7 CCC[C@H]1CCC(=O)O1 D90888 [0,1,0,1,0,0|1,0,0]=3 634 B9R1.8 BrCCC1CCCCC1 O10764 [0,1,0,1,0,0|0,0,2]=4 635 B9R1.8 C=CCN1CCOCC1 D88315 [0,1,0,1,0,0|1,0,0]=3 636 B9R1.8 C=COC1CCCCC1 D97843 [0,1,0,1,0,0|0,0,0]=2 637 B9R1.8 CCC[C@H]1CCCCN1 Y10685 [0,1,0,1,0,0|0,0,2]=4 638 B9R1.8 CCO[C@@H]1CCC=CO1 28714 [0,1,0,1,0,0|1,0,0]=3 639 B9R1.8 CCO[C@H]1CCCNC1 75813 [0,1,0,1,0,0|1,0,1]=4 640 B9R1.8 CNCC1CCOCC1 28114 [0,1,0,1,0,0|1,0,1]=4 641 B9R1.8 COCC1CCNCC1 64129 [0,1,0,1,0,0|1,0,1]=4 642 B9R1.8 COCC1CCNCC1 P10350 [0,1,0,1,0,0|1,0,1]=4 643 B9R1.8 ClCOC1CCCCC1 D89466 [0,1,0,1,0,0|1,0,1]=4 644 B9R1.8 N#CCC1CCCCC1 SC5095 [0,1,0,1,0,0|0,0,2]=4 645 B9R1.8 N#CCC1CCNCC1 F52566 [0,1,0,1,0,0|1,0,1]=4 646 B9R1.8 N#CC[C@H]1CCCNC1 S11284 [0,1,0,1,0,0|1,0,1]=4 647 B9R1.8 NCCC1=CCCCC1 D87820 [0,1,0,1,0,0|0,0,2]=4 648 B9R1.8 NCCC1CCOCC1 51287 [0,1,0,1,0,0|1,0,1]=4 649 B9R1.8 NCCN1CCCCC1 65590 [0,1,0,1,0,0|1,0,1]=4 650 B9R1.8 NCCN1CCCCC1 P10019 [0,1,0,1,0,0|1,0,1]=4 651 B9R1.8 O=CCC1CCOCC1 30303 [0,1,0,1,0,0|1,0,0]=3 652 B9R1.8 O=CNC1CCCCC1 D89406 [0,1,0,1,0,0|1,0,0]=3 653 B9R1.8 OCCC1CCCCC1 AC8984 [0,1,0,1,0,0|0,0,2]=4 654 B9R1.8 OCCC1CCNCC1 F11198 [0,1,0,1,0,0|1,0,1]=4 655 B9R1.8 OCCC1CCNCC1 S11476 [0,1,0,1,0,0|1,0,1]=4 656 B9R1.8 OCCN1CCCCC1 D70541 [0,1,0,1,0,0|1,0,1]=4 657 B9R1.8 OCC[C@H]1CCCCN1 36636 [0,1,0,1,0,0|1,0,1]=4 658 B9R1.8 OCC[C@H]1CCCCN1 62346 [0,1,0,1,0,0|1,0,1]=4 659 B9R1.8 OCC[C@H]1CCCCN1 P10605 [0,1,0,1,0,0|1,0,1]=4 660 B9R1.8 OCC[C@H]1CCCCO1 F20608 [0,1,0,1,0,0|1,0,1]=4 661 B9R1.8 OCC[C@H]1CCCNC1 65598 [0,1,0,1,0,0|1,0,1]=4 662 B9R1.8 S=C=NC1CCCCC1 D91097 [0,1,0,1,0,0|1,0,1]=4 663 B9R1.12 CCCCC1=CC=CO1 D88935 [0,1,0,1,0,0|0,0,2]=4 664 B9R1.12 CCCCC1=CC=CS1 F15458 [0,1,0,1,0,0|0,0,2]=4 665 B9R1.12 CCCCC1=CSC=C1 F10859 [0,1,0,1,0,0|0,0,2]=4 666 B9R1.12 CCCCC1=NC=CN1 AC7925 [0,1,0,1,0,0|1,0,1]=4 667 B9R1.12 CCCCN1C=CC=N1 D83149 [0,1,0,1,0,0|1,0,1]=4 668 B9R1.12 CCCCN1CCCC1 D94689 [0,1,0,1,0,0|0,0,2]=4 669 B9R1.12 CCCC[C@H]1CCCN1 D83453 [0,1,0,1,0,0|0,0,2]=4 670 B9R1.12 ClCCCN1CCCC1 30437 [0,1,0,1,0,0|1,0,1]=4 671 B9R1.12 ClCCCN1CCCC1 D70826 [0,1,0,1,0,0|1,0,1]=4 672 B9R1.12 ClCCCN1CCCC1 P17466 [0,1,0,1,0,0|1,0,1]=4 673 B9R1.12 N#C\C=C\C1CCCC1 P20369 [0,1,0,1,0,0|0,0,2]=4 674 B9R1.12 NCCCC1CCCC1 P17748 [0,1,0,1,0,0|0,0,2]=4 675 B9R1.12 NCCCN1CCCC1 35113 [0,1,0,1,0,0|1,0,1]=4 676 B9R1.12 NCCOC1CCCC1 31471 [0,1,0,1,0,0|1,0,1]=4 677 B9R1.12 OCCCC1CCCC1 AB3609 [0,1,0,1,0,0|0,0,2]=4 678 B9R1.12 OCCCN1CCCC1 29105 [0,1,0,1,0,0|1,0,1]=4 679 B9R1.15 CC[C@@H]1NCCNC1=O 60848 [0,1,0,1,0,0|2,0,0]=4 680 B9R1.15 CC[C@H]1CCCCC1=O D97760 [0,1,0,1,0,0|0,0,1]=3 681 B9R1.15 CN1CCCC[C@@H]1CO 39294 [0,1,0,1,0,0|1,0,1]=4 682 B9R1.15 CO[C@H]1CCCCC1=O P19682 [0,1,0,1,0,0|1,0,0]=3 683 B9R1.15 C[C@H]1CCCC\C1=N\O D86326 [0,1,0,1,0,0|1,0,0]=3 684 B9R1.15 N#C[C@H]1CCCCC1=O W17330 [0,1,0,1,0,0|1,0,1]=4 685 B9R1.27 CCC1C(=O)CCC1=O A10931 [0,1,0,1,0,0|1,0,1]=4 686 B9R1.33 C=CCN1CCCC1=O 51312 [0,1,0,1,0,0|1,0,1]=4 687 B9R1.33 CCCN1CCCC1=O 65466 [0,1,0,1,0,0|1,0,0]=3 688 B9R1.33 CN1CCC[C@@H]1CCN 56034 [0,1,0,1,0,0|1,0,1]=4 689 B9R1.33 CN1CCC[C@@H]1CCN P19602 [0,1,0,1,0,0|1,0,1]=4 690 B9R1.33 CN1CCC[C@@H]1CCO 28910 [0,1,0,1,0,0|1,0,1]=4 691 B9R1.33 NCCN1CCCC1=O 60045 [0,1,0,1,0,0|2,0,0]=4 692 B9R1.33 O=C1CCCN1CCCl 71142 [0,1,0,1,0,0|2,0,0]=4 693 B9R1.33 O=C1CCCN1CCO AT12426 [0,1,0,1,0,0|2,0,0]=4 694 B9R1.33 OCCC1CCCC1O D80870 [0,1,0,1,0,0|1,0,1]=4 695 B9R1.48 O=C1CCCCC(=O)C1 35108 [0,1,0,1,0,0|1,0,1]=4 696 B9R1.49 CN1CCCC(=O)CC1 34283 [0,1,0,1,0,0|2,0,0]=4 697 B9R1.49 CN1CCC[C@H](O)CC1 63485 [0,1,0,1,0,0|1,0,1]=4 698 B9R1.50 NC1CCCCCCC1 D89372 [0,1,0,1,0,0|0,0,2]=4 699 B9R1.50 O=C1CCCCCCC1 78195 [0,1,0,1,0,0|0,0,1]=3 700 B9R1.50 O=C1CCCCCCN1 35268 [0,1,0,1,0,0|1,0,0]=3 701 B9R1.50 O=C1CCCCCCO1 D94278 [0,1,0,1,0,0|1,0,0]=3 702 B9R1.50 OC1CCCCCCC1 D89280 [0,1,0,1,0,0|0,0,2]=4 703 B9R1.50 O[C@@H]1CCC=CCCC1 H10619 [0,1,0,1,0,0|0,0,0]=2 704 B9R1.69 CC1CCC(C)C(O)C1 D89706 [0,1,0,1,0,0|1,0,1]=4 705 B9R1.69 CN1CC[C@H](N)CC1=O 37085 [0,1,0,1,0,0|2,0,0]=4 706 B9R1.69 C[C@H]1CN(C)CCC1=O 68472 [0,1,0,1,0,0|2,0,0]=4 707 B9R1.134 N#CCC1(N)CCCC1 53169 [0,1,0,1,0,0|1,0,1]=4 708 B9R1.5 CN1CCCCCC1=O F20350 [0,1,0,1,0,0|1,0,0]=3 709 B9R1.5 CN1CCNCCC1=O Y10627 [0,1,0,1,0,0|2,0,0]=4 710 B9R1.5 N[C@H]1CCCCNC1=O 36347 [0,1,0,1,0,0|2,0,0]=4 711 B9R1.5 N[C@H]1CCCCNC1=O 52018 [0,1,0,1,0,0|2,0,0]=4 712 B9R1.5 N[C@H]1CCCCNC1=O A56019 [0,1,0,1,0,0|2,0,0]=4 713 B9R1.5 N[C@H]1CCCCNC1=O A56021 [0,1,0,1,0,0|2,0,0]=4 714 B9R1.5 N[C@H]1CCCCNC1=O Y10023 [0,1,0,1,0,0|2,0,0]=4 715 B9R1.14 CCN1CCC[C@@H]1CN 23003 [0,1,0,1,0,0|1,0,1]=4 716 B9R1.14 CCN1CCC[C@@H]1CN 51604 [0,1,0,1,0,0|1,0,1]=4 717 B9R1.14 CCN1CCC[C@@H]1CN 51605 [0,1,0,1,0,0|1,0,1]=4 718 B9R1.14 CCN1CCC[C@@H]1CN P10007 [0,1,0,1,0,0|1,0,1]=4 719 B9R1.14 CCN1CCC[C@@H]1CN P10140 [0,1,0,1,0,0|1,0,1]=4 720 B9R1.83 CCCCCC[C@H]1CO1 F20386 [0,1,0,1,0,0|0,0,2]=4 721 B9R1.89 CNC1CCCCCC1 D95799 [0,1,0,1,0,0|0,0,2]=4 722 B9R1.89 COC1=NCCCCC1 78135 [0,1,0,1,0,0|1,0,1]=4 723 B9R1.89 O=NN1CCCCCC1 D93582 [0,1,0,1,0,0|2,0,0]=4 724 B9R1.89 OCC1CCCCCC1 A11790 [0,1,0,1,0,0|0,0,2]=4 725 B9R1.89 ON=C1CCCCCC1 D89425 [0,1,0,1,0,0|1,0,0]=3 726 B9R1.1 CC1CCC(CO)CC1 D91499 [0,1,0,1,0,0|1,0,1]=4 727 B9R1.1 CCC1CCC(O)CC1 D71246 [0,1,0,1,0,0|0,0,2]=4 728 B9R1.1 CNC1CCC(O)CC1 AB3908 [0,1,0,1,0,0|1,0,1]=4 729 B9R1.1 CN[C@H]1CC[C@H](O)CC1 AB3909 [0,1,0,1,0,0|1,0,1]=4 730 B9R1.1 COC1CCC(C)CC1 D80701 [0,1,0,1,0,0|1,0,1]=4 731 B9R1.1 COC1CCC(N)CC1 76154 [0,1,0,1,0,0|1,0,1]=4 732 B9R1.1 COC1CCC(O)CC1 32564 [0,1,0,1,0,0|1,0,1]=4 733 B9R1.1 CO[C@H]1CC[C@H](N)CC1 S11821 [0,1,0,1,0,0|1,0,1]=4 734 B9R1.1 C[C@H]1CC[C@H](CO)CC1 73068 [0,1,0,1,0,0|1,0,1]=4 735 B9R1.1 N[C@H]1CC[C@H](CO)CC1 66170 [0,1,0,1,0,0|1,0,1]=4 736 B9R1.1 N[C@H]1CC[C@H](CO)CC1 W16992 [0,1,0,1,0,0|1,0,1]=4 737 B9R1.1 OCC1CCC(O)CC1 T72324 [0,1,0,1,0,0|1,0,1]=4 738 B9R1.3 CC1C(=O)CCCC1=O F19547 [0,1,0,1,0,0|1,0,1]=4 739 B9R1.3 CC1CCCC(O)C1C C72857 [0,1,0,1,0,0|0,0,2]=4 740 B9R1.118 C#CC1(N)CCCCC1 20495 [0,1,0,1,0,0|0,0,2]=4 741 B9R1.118 C#CC1(O)CCCCC1 N11899 [0,1,0,1,0,0|0,0,2]=4 742 B9R1.118 CC1(C=O)CCCCC1 BL001447 [0,1,0,1,0,0|1,0,0]=3 743 B9R1.118 CCC1(O)CCCCC1 I11478 [0,1,0,1,0,0|0,0,2]=4 744 B9R1.118 N#CC1(N)CCCCC1 AB10038 [0,1,0,1,0,0|1,0,1]=4 745 B9R1.6 CC(=O)C1CCCCC1 P10040 [0,1,0,1,0,0|0,0,1]=3 746 B9R1.6 CC(=O)C1CCNCC1 25527 [0,1,0,1,0,0|1,0,1]=4 747 B9R1.6 CC(=O)C1CCOCC1 53199 [0,1,0,1,0,0|1,0,1]=4 748 B9R1.6 CC(=O)N1CCCCC1 S12042 [0,1,0,1,0,0|1,0,1]=4 749 B9R1.6 CC(=O)[C@@H]1CCCCN1 W15841 [0,1,0,1,0,0|1,0,1]=4 750 B9R1.6 C[C@H](N)C1CCCCC1 79906 [0,1,0,1,0,0|0,0,2]=4 751 B9R1.6 C[C@H](N)C1CCCCC1 79909 [0,1,0,1,0,0|0,0,2]=4 752 B9R1.6 C[C@H](N)C1CCCCC1 N12504 [0,1,0,1,0,0|0,0,2]=4 753 B9R1.6 C[C@H](O)C1CCCCC1 F11489 [0,1,0,1,0,0|0,0,2]=4 754 B9R1.6 N=C(N)C1CCCCC1 F20883 [0,1,0,1,0,0|1,0,0]=3 755 B9R1.6 NC(=O)C1CCCCC1 78531 [0,1,0,1,0,0|1,0,0]=3 756 B9R1.6 NC(=O)C1CCNCC1 39421 [0,1,0,1,0,0|2,0,0]=4 757 B9R1.6 NC(=O)C1CCOCC1 BL008091 [0,1,0,1,0,0|2,0,0]=4 758 B9R1.6 NC(=O)[C@@H]1CCCCN1 39419 [0,1,0,1,0,0|2,0,0]=4 759 B9R1.6 NC(=O)[C@H]1CCCNC1 34666 [0,1,0,1,0,0|2,0,0]=4 760 B9R1.6 NC(=O)[C@H]1CCCNC1 37192 [0,1,0,1,0,0|2,0,0]=4 761 B9R1.6 NC(=O)[C@H]1CCCNC1 AB2972 [0,1,0,1,0,0|2,0,0]=4 762 B9R1.6 NC(=S)C1CCNCC1 D95075 [0,1,0,1,0,0|2,0,0]=4 763 B9R1.6 O=C(Cl)C1CCOCC1 F12379 [0,1,0,1,0,0|2,0,0]=4 764 B9R1.6 O=C(Cl)N1CCCCC1 F14628 [0,1,0,1,0,0|2,0,0]=4 765 B9R1.6 O=C(O)C1CCCCC1 P17799 [0,1,0,1,0,0|1,0,0]=3 766 B9R1.6 O=C(O)C1CCNCC1 AB2970 [0,1,0,1,0,0|2,0,0]=4 767 B9R1.6 O=C(O)C1CCNCC1 O12044 [0,1,0,1,0,0|2,0,0]=4 768 B9R1.6 O=C(O)C1CCOCC1 66534 [0,1,0,1,0,0|2,0,0]=4 769 B9R1.6 O=C(O)[C@@H]1CCCCN1 24951 [0,1,0,1,0,0|2,0,0]=4 770 B9R1.6 O=C(O)[C@@H]1CCCCN1 39420 [0,1,0,1,0,0|2,0,0]=4 771 B9R1.6 O=C(O)[C@@H]1CCCCN1 65236 [0,1,0,1,0,0|2,0,0]=4 772 B9R1.6 O=C(O)[C@@H]1CCCCN1 69549 [0,1,0,1,0,0|2,0,0]=4 773 B9R1.6 O=C(O)[C@@H]1CCCCN1 69551 [0,1,0,1,0,0|2,0,0]=4 774 B9R1.6 O=C(O)[C@@H]1CCCCN1 78208 [0,1,0,1,0,0|2,0,0]=4 775 B9R1.6 O=C(O)[C@@H]1CCCCO1 29454 [0,1,0,1,0,0|2,0,0]=4 776 B9R1.6 O=C(O)[C@H]1CCCNC1 24456 [0,1,0,1,0,0|2,0,0]=4 777 B9R1.6 O=C(O)[C@H]1CCCNC1 29863 [0,1,0,1,0,0|2,0,0]=4 778 B9R1.6 O=C(O)[C@H]1CCCNC1 64551 [0,1,0,1,0,0|2,0,0]=4 779 B9R1.6 O=C(O)[C@H]1CCCNC1 64552 [0,1,0,1,0,0|2,0,0]=4 780 B9R1.6 O=C(O)[C@H]1CCCNC1 64555 [0,1,0,1,0,0|2,0,0]=4 781 B9R1.6 O=C(O)[C@H]1CCCOC1 85695 [0,1,0,1,0,0|2,0,0]=4 782 B9R1.6 O=[N+]([O-])C1CCCCC1 F17587 [0,1,0,1,0,0|2,0,0]=4 783 B9R1.6 OB(O)C1CCCCC1 33988 [0,1,0,1,0,0|2,0,0]=4 784 B9R1.13 CC(=O)NC1CCCC1 20635 [0,1,0,1,0,0|1,0,1]=4 785 B9R1.13 CC(C)C[C@H]1CCCN1 AR1079 [0,1,0,1,0,0|1,0,1]=4 786 B9R1.13 O=C(Cl)OC1CCCC1 35687 [0,1,0,1,0,0|2,0,0]=4 787 B9R1.13 O=C(O)CC1CCCC1 70862 [0,1,0,1,0,0|1,0,0]=3 788 B9R1.13 O=C(O)CN1CCCC1 71481 [0,1,0,1,0,0|2,0,0]=4 789 B9R1.13 O=C(O)CN1CCCC1 F21166 [0,1,0,1,0,0|2,0,0]=4 790 B9R1.13 O=C(O)C[C@H]1CCCN1 22918 [0,1,0,1,0,0|2,0,0]=4 791 B9R1.13 O=C(O)C[C@H]1CCCN1 62961 [0,1,0,1,0,0|2,0,0]=4 792 B9R1.13 O=C(O)C[C@H]1CCNC1 37360 [0,1,0,1,0,0|2,0,0]=4 793 B9R1.13 O=C(O)C[C@H]1CCNC1 50101 [0,1,0,1,0,0|2,0,0]=4 794 B9R1.13 O=C(O)C[C@H]1CCNC1 65588 [0,1,0,1,0,0|2,0,0]=4 795 B9R1.13 O=C(O)C[C@H]1CCOC1 25150 [0,1,0,1,0,0|2,0,0]=4 796 B9R1.40 CC1(C)CCCCC1=O 25898 [0,1,0,1,0,0|1,0,0]=3 797 B9R1.40 CC1(C)CNCCC1=O 84109 [0,1,0,1,0,0|2,0,0]=4 798 B9R1.40 CC1(C)CNCCC1=O FD10497 [0,1,0,1,0,0|2,0,0]=4 799 B9R1.41 CC1CCCC1C(=O)O 33416 [0,1,0,1,0,0|1,0,0]=3 800 B9R1.41 CN1CCC[C@H]1C(=O)O 28869 [0,1,0,1,0,0|2,0,0]=4 801 B9R1.41 CN1CCC[C@H]1C(=O)O 32214 [0,1,0,1,0,0|2,0,0]=4 802 B9R1.41 CN1CCC[C@H]1C(=O)O 32659 [0,1,0,1,0,0|2,0,0]=4 803 B9R1.41 CN1CCC[C@H]1C(=O)O 35836 [0,1,0,1,0,0|2,0,0]=4 804 B9R1.41 CN1CCC[C@H]1C(=O)O 74862 [0,1,0,1,0,0|2,0,0]=4 805 B9R1.41 CN1CCC[C@H]1C(=O)O 93283 [0,1,0,1,0,0|2,0,0]=4 806 B9R1.41 CN1CCC[C@H]1C(N)=O D83037 [0,1,0,1,0,0|2,0,0]=4 807 B9R1.41 CN1CCC[C@H]1C(N)=O P20756 [0,1,0,1,0,0|2,0,0]=4 808 B9R1.41 NC1CCCC1C(=O)O D94461 [0,1,0,1,0,0|2,0,0]=4 809 B9R1.148 CC1(O)CCCCCC1 D93172 [0,1,0,1,0,0|0,0,2]=4 810 B9R2.39 BrC1CC2CCC1C2 D84065 [0,0,0,2,0,0|1,0,1]=4 811 B9R2.39 Br[C@H]1C[C@@H]2CC[C@H]1C2 39383 [0,0,0,2,0,0|1,0,1]=4 812 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 77740 [0,0,0,2,0,0|1,0,1]=4 813 B9R2.39 OC1CC2C=CC1C2 FD14040 [0,0,0,2,0,0|1,0,0]=3 814 B9R2.109 O=C1CCCC2OC12 AB10163 [0,0,0,2,0,0|2,0,0]=4 815 B9R2.3 C1CC2CNCC2C1 33250 [0,0,0,2,0,0|1,0,1]=4 816 B9R2.3 C1CC2CNCC2C1 80437 [0,0,0,2,0,0|1,0,1]=4 817 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 11262 [0,0,0,2,0,0|1,0,1]=4 818 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 P10860 [0,0,0,2,0,0|1,0,1]=4 819 B9R2.7 O=C1CC2C=CCC12 54049 [0,0,0,2,0,0|1,0,1]=4