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|2,0,1]=3 2 B7R0.1 C#CCOCCOC W13675 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 C=CCCCCC=C F19559 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.1 C=CCCCCCBr 34943 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.1 C=CCCCCNC C75624 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.1 C=CCOCCCC D88441 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.1 CCCCCCCBr D78084 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.1 CCCCCCCI D70828 [0,0,0,0,0,0|1,0,1]=2 9 B7R0.1 CCCCCCCS D90781 [0,0,0,0,0,0|0,1,1]=2 10 B7R0.1 CCCCOCCCl D89363 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.1 CCCC\C=C\C=O 39424 [0,0,0,0,0,0|0,0,2]=2 12 B7R0.1 CC\C=C\C=C\C=O D90931 [0,0,0,0,0,0|0,0,4]=4 13 B7R0.1 CNCCCCNC 29857 [0,0,0,0,0,0|3,0,0]=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|2,0,2]=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|2,1,1]=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|1,0,2]=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|2,0,2]=4 28 B7R0.1 NCCNCCCO H11394 [0,0,0,0,0,0|2,0,2]=4 29 B7R0.1 OCCCCCCBr 34408 [0,0,0,0,0,0|1,0,2]=3 30 B7R0.1 OCCCCCCCl D70146 [0,0,0,0,0,0|1,0,2]=3 31 B7R0.1 OCCCCCCS N11988 [0,0,0,0,0,0|1,0,2]=3 32 B7R0.1 SCCCCCCS D90840 [0,0,0,0,0,0|1,1,1]=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|0,0,3]=4 36 B6R0.6 C=CCCCCBr F14895 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.6 C=CCCCCCl N11935 [1,0,0,0,0,0|1,0,1]=3 38 B6R0.6 C=CCCCCO 35574 [1,0,0,0,0,0|1,0,1]=3 39 B6R0.6 C=COCCCN 75654 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.6 CCC#CCCO F11743 [1,0,0,0,0,0|0,0,3]=4 41 B6R0.6 CCCC#CCO D90881 [1,0,0,0,0,0|0,0,3]=4 42 B6R0.6 CCCC=CC=O D78252 [1,0,0,0,0,0|0,0,2]=3 43 B6R0.6 CCCCCCI F20355 [1,0,0,0,0,0|1,0,0]=2 44 B6R0.6 CCCCCCN F19564 [1,0,0,0,0,0|1,0,0]=2 45 B6R0.6 CCCCCNC D91584 [1,0,0,0,0,0|1,0,1]=3 46 B6R0.6 CCCCN=C=S D91107 [1,0,0,0,0,0|1,1,1]=4 47 B6R0.6 CCCNCCC D89745 [1,0,0,0,0,0|1,0,1]=3 48 B6R0.6 CCCNCCO C10761 [1,0,0,0,0,0|1,0,1]=3 49 B6R0.6 CCCOCCCl H10822 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.6 CCC\C=C\CO D78301 [1,0,0,0,0,0|0,0,3]=4 51 B6R0.6 CCNCCCN D82016 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.6 CCNCCCO 31655 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.6 CCNCCOC H11999 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.6 CCOCCCCl D95770 [1,0,0,0,0,0|2,0,0]=3 55 B6R0.6 CCOCCCO D95933 [1,0,0,0,0,0|1,0,1]=3 56 B6R0.6 CC\C=C/CCO 73722 [1,0,0,0,0,0|0,0,3]=4 57 B6R0.6 CNCCCCO F10210 [1,0,0,0,0,0|1,0,1]=3 58 B6R0.6 COCCCCBr F13727 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.6 COCCCCCl 28715 [1,0,0,0,0,0|2,0,0]=3 60 B6R0.6 COCCCCO D78159 [1,0,0,0,0,0|1,0,1]=3 61 B6R0.6 COCCOCCl H11303 [1,0,0,0,0,0|3,0,0]=4 62 B6R0.6 C[NH2+]CCC[NH2+]C D90229 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.6 ClCCCCCBr S10881 [1,0,0,0,0,0|2,0,0]=3 64 B6R0.6 ClCCCCCI A10955 [1,0,0,0,0,0|2,0,0]=3 65 B6R0.6 ClCCNCCCl 97536 [1,0,0,0,0,0|3,0,0]=4 66 B6R0.6 FCCCCCBr 24471 [1,0,0,0,0,0|2,0,0]=3 67 B6R0.6 ICCCCCI P10001 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.6 ICCOCCI C90294 [1,0,0,0,0,0|3,0,0]=4 69 B6R0.6 N#CCCCCCl 28437 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.6 N#CCCCCN S10714 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.6 NCCCCCN D83408 [1,0,0,0,0,0|2,0,0]=3 72 B6R0.6 NCCCCCO I11482 [1,0,0,0,0,0|1,0,1]=3 73 B6R0.6 NCCNCCO D77720 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.6 NCCOCCN 75244 [1,0,0,0,0,0|3,0,0]=4 75 B6R0.6 NCCOCCN 75301 [1,0,0,0,0,0|3,0,0]=4 76 B6R0.6 NCCOCCO C70233 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.6 NCCSCCN FD10524 [1,0,0,0,0,0|3,0,0]=4 78 B6R0.6 O=C=NCCCCl D89529 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.6 O=CCCCCCl C10094 [1,0,0,0,0,0|1,0,0]=2 80 B6R0.6 O=CCCCCO F19841 [1,0,0,0,0,0|1,0,0]=2 81 B6R0.6 OCCCCCBr 23140 [1,0,0,0,0,0|1,0,1]=3 82 B6R0.6 OCCCCCCl O11412 [1,0,0,0,0,0|1,0,1]=3 83 B6R0.6 OCCNCCCl F50591 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.6 OCCNCCO D92250 [1,0,0,0,0,0|2,0,1]=4 85 B6R0.6 OCCOCCBr S10705 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.6 OCCOCCCl D72518 [1,0,0,0,0,0|2,0,1]=4 87 B6R0.6 SCCCCCS D92137 [1,0,0,0,0,0|1,1,0]=3 88 B6R0.6 SCCSCCS D91485 [1,0,0,0,0,0|2,1,0]=4 89 B8R0.1 C=CCCC(=O)OCC H10612 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.1 CCOC(=O)CNC=O FD21624 [0,1,0,0,0,0|2,0,1]=4 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|1,0,1]=3 93 B8R0.4 C=CCCCCCCBr 78390 [0,1,0,0,0,0|1,0,0]=2 94 B8R0.4 C=CCCCCCCCl I11995 [0,1,0,0,0,0|1,0,0]=2 95 B8R0.4 CCCCCCCCCl D97411 [0,1,0,0,0,0|1,0,1]=3 96 B8R0.4 CCCCCCCCI W18672 [0,1,0,0,0,0|1,0,1]=3 97 B8R0.4 CCCCCCCCN D91873 [0,1,0,0,0,0|1,0,1]=3 98 B8R0.4 CCCCCCCCN D91878 [0,1,0,0,0,0|1,0,1]=3 99 B8R0.4 CCCCCCCNC D82019 [0,1,0,0,0,0|1,0,1]=3 100 B8R0.4 CCCCCCN=C=S D95721 [0,1,0,0,0,0|0,1,1]=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|2,0,0]=3 105 B8R0.4 CCCC[SnH4+2]CCCC D95293 [0,1,0,0,0,0|1,0,1]=3 106 B8R0.4 CCCC[SnH4+2]CCCC D95356 [0,1,0,0,0,0|1,0,1]=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|1,0,2]=4 110 B8R0.4 CC\C=C/CCOC=O D95718 [0,1,0,0,0,0|0,0,2]=3 111 B8R0.4 COCCNCCOC F11888 [0,1,0,0,0,0|3,0,0]=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|3,0,0]=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|0,0,2]=3 118 B8R0.4 OCCCCCCCCl D97219 [0,1,0,0,0,0|0,0,2]=3 119 B8R0.4 OCCCCCCCO H10510 [0,1,0,0,0,0|0,0,2]=3 120 B8R0.4 OCCCNCCCO O10901 [0,1,0,0,0,0|1,0,2]=4 121 B8R0.6 C=CC(=O)CCCCC D71008 [0,1,0,0,0,0|1,0,1]=3 122 B8R0.6 C=CC(=O)NCCCC D82024 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.6 C=CCCCC(=O)OC H11902 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.6 C=C[C@@H](O)CCCCC D91822 [0,1,0,0,0,0|1,0,0]=2 125 B8R0.6 CCCCC[C@@H](O)CC D78240 [0,1,0,0,0,0|1,0,1]=3 126 B8R0.6 NCCCC[C@H](N)CO F52525 [0,1,0,0,0,0|1,0,2]=4 127 B8R0.6 OCCCC[C@H](O)CO 75130 [0,1,0,0,0,0|1,0,2]=4 128 B8R0.7 C#CCCCCC(=O)O 76366 [0,1,0,0,0,0|0,0,2]=3 129 B8R0.7 C=CCCCCB(O)O I12043 [0,1,0,0,0,0|3,0,0]=4 130 B8R0.7 C=CCCCCC(=O)O I11996 [0,1,0,0,0,0|0,0,2]=3 131 B8R0.7 CC(=O)OCCCCBr F16811 [0,1,0,0,0,0|2,0,0]=3 132 B8R0.7 CC(=O)OCCCCCl H10679 [0,1,0,0,0,0|2,0,0]=3 133 B8R0.7 CC(C)CCCCCO A10851 [0,1,0,0,0,0|0,0,2]=3 134 B8R0.7 CC(C)NCCCCO F10470 [0,1,0,0,0,0|1,0,2]=4 135 B8R0.7 CCCCCCB(O)O 33195 [0,1,0,0,0,0|1,0,1]=3 136 B8R0.7 CCCCCCC(=O)Cl A10863 [0,1,0,0,0,0|0,0,0]=1 137 B8R0.7 CCCCCCC(=O)[O-] D90422 [0,1,0,0,0,0|0,0,0]=1 138 B8R0.7 CCCCCCC(N)=O D93021 [0,1,0,0,0,0|0,0,0]=1 139 B8R0.7 CCCCCC[C@H](C)Br F21283 [0,1,0,0,0,0|1,0,1]=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|1,0,0]=2 144 B8R0.7 CCCCCOC(=S)[S-] D88265 [0,1,0,0,0,0|1,1,0]=3 145 B8R0.7 CCCCOCC(=O)O AC1559 [0,1,0,0,0,0|1,0,0]=2 146 B8R0.7 CCCC\C=C\C(=O)O D90864 [0,1,0,0,0,0|0,0,2]=3 147 B8R0.7 CCNCCCN(C)C 31761 [0,1,0,0,0,0|3,0,0]=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|2,0,0]=3 150 B8R0.7 CSCCCOC(C)=O D91595 [0,1,0,0,0,0|2,0,0]=3 151 B8R0.7 N#CCCNCC(=O)O AB6918 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.7 N=C(N)NCCCCN 41225 [0,1,0,0,0,0|3,0,0]=4 153 B8R0.7 N=C(N)NCCCCN 52136 [0,1,0,0,0,0|3,0,0]=4 154 B8R0.7 N=C(N)NCCCCN C10463 [0,1,0,0,0,0|3,0,0]=4 155 B8R0.7 NC(=O)CCCCCBr 74914 [0,1,0,0,0,0|1,0,0]=2 156 B8R0.7 NCCNCCC(=O)[O-] F16459 [0,1,0,0,0,0|2,0,0]=3 157 B8R0.7 O=C(Cl)CCCCCBr D88888 [0,1,0,0,0,0|1,0,0]=2 158 B8R0.7 O=C(O)CCCCCBr F11242 [0,1,0,0,0,0|1,0,0]=2 159 B8R0.7 O=C(O)CCCCCCl D77823 [0,1,0,0,0,0|1,0,0]=2 160 B8R0.7 O=C(O)CCCCCO S10488 [0,1,0,0,0,0|1,0,0]=2 161 B8R0.7 O=C(O)CCNCCO D94998 [0,1,0,0,0,0|2,0,0]=3 162 B8R0.7 O=C([O-])CCCCCO Y10610 [0,1,0,0,0,0|1,0,0]=2 163 B8R1.2 BrCC1CCCCC1 81459 [0,0,0,1,0,0|1,0,1]=3 164 B8R1.2 BrCC1CCNCC1 54450 [0,0,0,1,0,0|2,0,1]=4 165 B8R1.2 BrCC1CCOCC1 54616 [0,0,0,1,0,0|2,0,1]=4 166 B8R1.2 C#CC1CCCCC1 F16297 [0,0,0,1,0,0|1,0,1]=3 167 B8R1.2 C=CC1CCCCC1 D92778 [0,0,0,1,0,0|1,0,0]=2 168 B8R1.2 CC[C@H]1CCCCN1 D90478 [0,0,0,1,0,0|1,0,1]=3 169 B8R1.2 CC[C@H]1COCCN1 F13094 [0,0,0,1,0,0|2,0,1]=4 170 B8R1.2 CC[C@H]1COCCN1 F17622 [0,0,0,1,0,0|2,0,1]=4 171 B8R1.2 CC[C@H]1COCCN1 FD6007 [0,0,0,1,0,0|2,0,1]=4 172 B8R1.2 CNC1CCOCC1 32360 [0,0,0,1,0,0|3,0,0]=4 173 B8R1.2 CNC1CCOCC1 AB1551 [0,0,0,1,0,0|3,0,0]=4 174 B8R1.2 CN[C@H]1CCCNC1 33739 [0,0,0,1,0,0|3,0,0]=4 175 B8R1.2 COC1CCNCC1 29503 [0,0,0,1,0,0|3,0,0]=4 176 B8R1.2 COC1CCNCC1 30319 [0,0,0,1,0,0|3,0,0]=4 177 B8R1.2 CO[C@H]1CCCNC1 32736 [0,0,0,1,0,0|3,0,0]=4 178 B8R1.2 CO[C@H]1CCCNC1 32744 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.2 CO[C@H]1CCCNC1 37169 [0,0,0,1,0,0|3,0,0]=4 180 B8R1.2 CO[C@H]1CCCNC1 37171 [0,0,0,1,0,0|3,0,0]=4 181 B8R1.2 CO[C@H]1CCCNC1 AB7412 [0,0,0,1,0,0|3,0,0]=4 182 B8R1.2 ICC1CCOCC1 62810 [0,0,0,1,0,0|2,0,1]=4 183 B8R1.2 N#CC1CCCCC1 F14026 [0,0,0,1,0,0|1,0,1]=3 184 B8R1.2 N#CC1CCCCN1 37817 [0,0,0,1,0,0|2,0,1]=4 185 B8R1.2 N#CC1CCNCC1 50765 [0,0,0,1,0,0|2,0,1]=4 186 B8R1.2 N#CC1CCNCC1 83447 [0,0,0,1,0,0|2,0,1]=4 187 B8R1.2 N#CC1CCOCC1 AB2989 [0,0,0,1,0,0|2,0,1]=4 188 B8R1.2 N#C[C@H]1CCCNC1 82699 [0,0,0,1,0,0|2,0,1]=4 189 B8R1.2 N#C[C@H]1CCCNC1 83525 [0,0,0,1,0,0|2,0,1]=4 190 B8R1.2 NCC1CCCCC1 FD10556 [0,0,0,1,0,0|1,0,1]=3 191 B8R1.2 NCC1CCNCC1 20503 [0,0,0,1,0,0|2,0,1]=4 192 B8R1.2 NCC1CCOCC1 51888 [0,0,0,1,0,0|2,0,1]=4 193 B8R1.2 NCC1CCOCC1 AB1593 [0,0,0,1,0,0|2,0,1]=4 194 B8R1.2 NC[C@H]1CCCCN1 F13324 [0,0,0,1,0,0|2,0,1]=4 195 B8R1.2 NC[C@H]1CCCCO1 29695 [0,0,0,1,0,0|1,0,2]=4 196 B8R1.2 NC[C@H]1CCCNC1 51408 [0,0,0,1,0,0|2,0,1]=4 197 B8R1.2 NC[C@H]1CCCNC1 AB01087 [0,0,0,1,0,0|2,0,1]=4 198 B8R1.2 NC[C@H]1CCCOC1 P10450 [0,0,0,1,0,0|2,0,1]=4 199 B8R1.2 NNC1CCCCC1 74084 [0,0,0,1,0,0|2,0,0]=3 200 B8R1.2 NNC1CCCCC1 BL010400 [0,0,0,1,0,0|2,0,0]=3 201 B8R1.2 NNC1CCOCC1 20334 [0,0,0,1,0,0|3,0,0]=4 202 B8R1.2 NNC1CCOCC1 BL010345 [0,0,0,1,0,0|3,0,0]=4 203 B8R1.2 NO[C@@H]1CCCCO1 FD1322 [0,0,0,1,0,0|3,0,0]=4 204 B8R1.2 O=CC1=CCCOC1 35550 [0,0,0,1,0,0|1,0,2]=4 205 B8R1.2 O=CC1=COCCC1 A12341 [0,0,0,1,0,0|1,0,2]=4 206 B8R1.2 O=CC1CCCCC1 39466 [0,0,0,1,0,0|0,0,0]=1 207 B8R1.2 O=CC1CCOCC1 61400 [0,0,0,1,0,0|1,0,0]=2 208 B8R1.2 O=CC1CCSCC1 29959 [0,0,0,1,0,0|1,0,0]=2 209 B8R1.2 O=CN1CCNCC1 77876 [0,0,0,1,0,0|2,0,0]=3 210 B8R1.2 O=CN1CCOCC1 S12160 [0,0,0,1,0,0|2,0,0]=3 211 B8R1.2 O=C[C@@H]1CCC=CO1 35364 [0,0,0,1,0,0|1,0,2]=4 212 B8R1.2 O=NN1CCCCC1 D92816 [0,0,0,1,0,0|2,0,0]=3 213 B8R1.2 OCC1CCCCC1 73723 [0,0,0,1,0,0|0,0,2]=3 214 B8R1.2 OCC1CCNCC1 25838 [0,0,0,1,0,0|1,0,2]=4 215 B8R1.2 OCC1CCOCC1 66550 [0,0,0,1,0,0|1,0,2]=4 216 B8R1.2 OCC1CCSCC1 30719 [0,0,0,1,0,0|1,0,2]=4 217 B8R1.2 OC[C@@H]1CC=CCC1 AC7844 [0,0,0,1,0,0|2,0,1]=4 218 B8R1.2 OC[C@H]1CCC=CO1 60150 [0,0,0,1,0,0|1,0,2]=4 219 B8R1.2 OC[C@H]1CCCCN1 23778 [0,0,0,1,0,0|1,0,2]=4 220 B8R1.2 OC[C@H]1CCCCN1 25116 [0,0,0,1,0,0|1,0,2]=4 221 B8R1.2 OC[C@H]1CCCCN1 39317 [0,0,0,1,0,0|1,0,2]=4 222 B8R1.2 OC[C@H]1CCCCN1 69389 [0,0,0,1,0,0|1,0,2]=4 223 B8R1.2 OC[C@H]1CCCCO1 P17277 [0,0,0,1,0,0|1,0,2]=4 224 B8R1.2 OC[C@H]1CCCNC1 20066 [0,0,0,1,0,0|1,0,2]=4 225 B8R1.2 OC[C@H]1CCCNC1 25088 [0,0,0,1,0,0|1,0,2]=4 226 B8R1.2 OC[C@H]1CCCNC1 32724 [0,0,0,1,0,0|1,0,2]=4 227 B8R1.2 ONC1CCCCC1 77599 [0,0,0,1,0,0|1,0,1]=3 228 B8R1.2 ONC1CCCCC1 77600 [0,0,0,1,0,0|1,0,1]=3 229 B8R1.5 BrC1CCCCC1Br 23806 [0,0,0,1,0,0|2,0,1]=4 230 B8R1.5 Br[C@H]1CCCC[C@@H]1Br D90058 [0,0,0,1,0,0|2,0,1]=4 231 B8R1.5 CC1=NCCCN1C 67669 [0,0,0,1,0,0|3,0,0]=4 232 B8R1.5 CN1CCCNC1=O F13277 [0,0,0,1,0,0|2,0,0]=3 233 B8R1.5 CN1CCNCC1=O 26900 [0,0,0,1,0,0|2,0,0]=3 234 B8R1.5 CN1CCNCC1=O 37505 [0,0,0,1,0,0|2,0,0]=3 235 B8R1.5 C[C@@H]1NCCNC1=O 20377 [0,0,0,1,0,0|2,0,0]=3 236 B8R1.5 C[C@@H]1NCCNC1=O 20378 [0,0,0,1,0,0|2,0,0]=3 237 B8R1.5 C[C@@H]1NCCNC1=O F31149 [0,0,0,1,0,0|2,0,0]=3 238 B8R1.5 C[C@H]1CCCC[C@@H]1N S11914 [0,0,0,1,0,0|1,0,1]=3 239 B8R1.5 C[C@H]1CCCC[C@H]1C D89702 [0,0,0,1,0,0|1,0,1]=3 240 B8R1.5 C[C@H]1CCCNC1=O P10093 [0,0,0,1,0,0|1,0,0]=2 241 B8R1.5 C[C@H]1CNCCC1=O 63757 [0,0,0,1,0,0|1,0,0]=2 242 B8R1.5 C[C@H]1CNCCC1=O 67436 [0,0,0,1,0,0|1,0,0]=2 243 B8R1.5 C[C@H]1CNCCN1C 38274 [0,0,0,1,0,0|3,0,0]=4 244 B8R1.5 C[C@H]1CNCCN1C P11797 [0,0,0,1,0,0|3,0,0]=4 245 B8R1.5 FC1CCCCC1Br T71186 [0,0,0,1,0,0|2,0,1]=4 246 B8R1.5 NC1CCCCC1O AB10042 [0,0,0,1,0,0|1,0,2]=4 247 B8R1.5 N[C@@H]1CCCC[C@@H]1O 67886 [0,0,0,1,0,0|1,0,2]=4 248 B8R1.5 N[C@@H]1CCCC[C@@H]1O 67887 [0,0,0,1,0,0|1,0,2]=4 249 B8R1.5 N[C@@H]1CCCC[C@@H]1O A51241 [0,0,0,1,0,0|1,0,2]=4 250 B8R1.5 N[C@H]1CCCC[C@@H]1N 28367 [0,0,0,1,0,0|2,0,1]=4 251 B8R1.5 N[C@H]1CCCC[C@@H]1N 28369 [0,0,0,1,0,0|2,0,1]=4 252 B8R1.5 N[C@H]1CCCC[C@@H]1N F16348 [0,0,0,1,0,0|2,0,1]=4 253 B8R1.5 N[C@H]1CCCC[C@@H]1O 22869 [0,0,0,1,0,0|1,0,2]=4 254 B8R1.5 N[C@H]1CCCC[C@@H]1O 28325 [0,0,0,1,0,0|1,0,2]=4 255 B8R1.5 N[C@H]1CCCC[C@@H]1O 67740 [0,0,0,1,0,0|1,0,2]=4 256 B8R1.5 N[C@H]1CCCC[C@@H]1O 67741 [0,0,0,1,0,0|1,0,2]=4 257 B8R1.5 N[C@H]1CCCC[C@@H]1O 74387 [0,0,0,1,0,0|1,0,2]=4 258 B8R1.5 N[C@H]1CCCC[C@@H]1O H10809 [0,0,0,1,0,0|1,0,2]=4 259 B8R1.5 N[C@H]1CCCC[C@H]1N 11201 [0,0,0,1,0,0|2,0,1]=4 260 B8R1.5 N[C@H]1CCCNC1=O 23329 [0,0,0,1,0,0|2,0,0]=3 261 B8R1.5 N[C@H]1CCCNC1=O 27952 [0,0,0,1,0,0|2,0,0]=3 262 B8R1.5 N[C@H]1CCCNC1=O 51547 [0,0,0,1,0,0|2,0,0]=3 263 B8R1.5 O=C1CCCCC1=O 57324 [0,0,0,1,0,0|1,0,1]=3 264 B8R1.5 O=C1CCCC[C@@H]1Br 67635 [0,0,0,1,0,0|1,0,0]=2 265 B8R1.5 O=C1CCCC[C@@H]1Cl AC1582 [0,0,0,1,0,0|1,0,0]=2 266 B8R1.5 O=C1CCCC[C@@H]1F W17462 [0,0,0,1,0,0|1,0,0]=2 267 B8R1.5 O=C1CCNC[C@@H]1F 30735 [0,0,0,1,0,0|2,0,0]=3 268 B8R1.5 O=C1CCOC[C@@H]1F SC3231 [0,0,0,1,0,0|2,0,0]=3 269 B8R1.5 OC1CCCCC1Cl D71128 [0,0,0,1,0,0|1,0,2]=4 270 B8R1.5 OC1CCCCC1O FD9018 [0,0,0,1,0,0|1,0,2]=4 271 B8R1.5 O[C@H]1CCCC[C@@H]1F T72787 [0,0,0,1,0,0|1,0,2]=4 272 B8R1.5 O[C@H]1CCCC[C@@H]1O O12154 [0,0,0,1,0,0|1,0,2]=4 273 B8R1.8 BrCCN1CCCC1 54542 [0,0,0,1,0,0|2,0,1]=4 274 B8R1.8 CCO[C@H]1CCNC1 31293 [0,0,0,1,0,0|3,0,0]=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|3,0,0]=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|0,0,2]=3 285 B8R1.8 OCCN1CCCC1 F14228 [0,0,0,1,0,0|1,0,2]=4 286 B8R1.8 OCC[C@H]1CCNC1 38792 [0,0,0,1,0,0|1,0,2]=4 287 B8R1.10 CCCOC1CNC1 28518 [0,0,0,1,0,0|3,0,0]=4 288 B8R1.11 C=CN1CCCC1=O AT18510 [0,0,0,1,0,0|1,0,2]=4 289 B8R1.11 CCN1CCCC1=O A10865 [0,0,0,1,0,0|1,0,0]=2 290 B8R1.11 CC[C@H]1CCCC1=O D83898 [0,0,0,1,0,0|0,0,0]=1 291 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|1,0,2]=4 294 B8R1.11 CN1CCC[C@@H]1CO 33738 [0,0,0,1,0,0|1,0,2]=4 295 B8R1.11 CN1CCC[C@@H]1CO 34380 [0,0,0,1,0,0|1,0,2]=4 296 B8R1.11 N#C[C@H]1CCCC1=O BL000625 [0,0,0,1,0,0|1,0,1]=3 297 B8R1.11 N#C[C@H]1CSCC1=O P10054 [0,0,0,1,0,0|2,0,1]=4 298 B8R1.11 O=CN1CCCC1=O D93023 [0,0,0,1,0,0|2,0,1]=4 299 B8R1.12 OCC1CCC1CO P19699 [0,0,0,1,0,0|1,0,2]=4 300 B8R1.22 C=C1OCCCCO1 A10906 [0,0,0,1,0,0|3,0,0]=4 301 B8R1.22 CN1CCCNCC1 63976 [0,0,0,1,0,0|3,0,0]=4 302 B8R1.22 C[C@H]1CCCNCC1 72644 [0,0,0,1,0,0|2,0,1]=4 303 B8R1.22 ClC1CCCCCC1 D81846 [0,0,0,1,0,0|1,0,1]=3 304 B8R1.22 NC1CCCCCC1 F19821 [0,0,0,1,0,0|1,0,1]=3 305 B8R1.22 N[C@H]1CCCCNC1 51061 [0,0,0,1,0,0|2,0,1]=4 306 B8R1.22 N[C@H]1CCCCNC1 51996 [0,0,0,1,0,0|2,0,1]=4 307 B8R1.22 N[C@H]1CCCCNC1 A56046 [0,0,0,1,0,0|2,0,1]=4 308 B8R1.22 O=C1C=CCCCC1 S10329 [0,0,0,1,0,0|0,0,2]=3 309 B8R1.22 O=C1CCCCCN1 D70254 [0,0,0,1,0,0|1,0,0]=2 310 B8R1.22 O=C1CCCCCO1 D70255 [0,0,0,1,0,0|1,0,0]=2 311 B8R1.22 O=C1CCCNCC1 VT1100 [0,0,0,1,0,0|1,0,0]=2 312 B8R1.22 O=C1CCNCCN1 23498 [0,0,0,1,0,0|2,0,0]=3 313 B8R1.22 O=C1CCOCCN1 F13212 [0,0,0,1,0,0|2,0,0]=3 314 B8R1.22 O=C1CCSCCN1 W16383 [0,0,0,1,0,0|2,0,0]=3 315 B8R1.22 O=C1CNCCCN1 71619 [0,0,0,1,0,0|2,0,0]=3 316 B8R1.22 O=C1CNCCCN1 86465 [0,0,0,1,0,0|2,0,0]=3 317 B8R1.22 OC1CCCCCC1 D89285 [0,0,0,1,0,0|0,0,2]=3 318 B8R1.22 O[C@H]1CCCNCC1 36657 [0,0,0,1,0,0|1,0,2]=4 319 B8R1.22 O[C@H]1CCCNCC1 62252 [0,0,0,1,0,0|1,0,2]=4 320 B8R1.49 C1=CCCC=CCC1 A12423 [0,0,0,1,0,0|1,0,2]=4 321 B8R1.49 C1=CCCC=CCC1 C71725 [0,0,0,1,0,0|1,0,2]=4 322 B8R1.49 C1=CCCC=CCC1 D81874 [0,0,0,1,0,0|1,0,2]=4 323 B8R1.49 C1=CCCC=CCC1 D83030 [0,0,0,1,0,0|1,0,2]=4 324 B8R1.49 C1=CCCC=CCC1 D83200 [0,0,0,1,0,0|1,0,2]=4 325 B8R1.49 C1=CCCC=CCC1 D88542 [0,0,0,1,0,0|1,0,2]=4 326 B8R1.49 C1=CCCC=CCC1 F16649 [0,0,0,1,0,0|1,0,2]=4 327 B8R1.49 C1=CCCC=CCC1 P17150 [0,0,0,1,0,0|1,0,2]=4 328 B8R1.49 C1=CCCCCC=C1 D89259 [0,0,0,1,0,0|1,0,2]=4 329 B8R1.49 C1=CCCCCCC1 D89499 [0,0,0,1,0,0|1,0,0]=2 330 B5R0.2 BrCCCCBr D77910 [2,0,0,0,0,0|2,0,0]=4 331 B5R0.2 C#CCCCC 75209 [2,0,0,0,0,0|0,0,2]=4 332 B5R0.2 C=CCCCBr 78391 [2,0,0,0,0,0|1,0,1]=4 333 B5R0.2 C=CCCCCl O11411 [2,0,0,0,0,0|1,0,1]=4 334 B5R0.2 C=CCCCN 68255 [2,0,0,0,0,0|1,0,1]=4 335 B5R0.2 C=CCCCN 86153 [2,0,0,0,0,0|1,0,1]=4 336 B5R0.2 C=CCCCO 76184 [2,0,0,0,0,0|1,0,1]=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|1,0,1]=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 CC\C=C\C=O 11553 [2,0,0,0,0,0|0,0,2]=4 346 B5R0.2 CNCCCCl F16501 [2,0,0,0,0,0|2,0,0]=4 347 B5R0.2 CNCCCN 37144 [2,0,0,0,0,0|2,0,0]=4 348 B5R0.2 CNCCCO 36133 [2,0,0,0,0,0|1,0,1]=4 349 B5R0.2 CNCCNC 39416 [2,0,0,0,0,0|2,0,0]=4 350 B5R0.2 CNCCOC D70346 [2,0,0,0,0,0|2,0,0]=4 351 B5R0.2 CNCCSC AC2521 [2,0,0,0,0,0|2,0,0]=4 352 B5R0.2 COCCCBr F11235 [2,0,0,0,0,0|2,0,0]=4 353 B5R0.2 COCCCCl H11766 [2,0,0,0,0,0|2,0,0]=4 354 B5R0.2 COCCCN D81053 [2,0,0,0,0,0|2,0,0]=4 355 B5R0.2 COCCOC D81126 [2,0,0,0,0,0|2,0,0]=4 356 B5R0.2 COCCOC D83907 [2,0,0,0,0,0|2,0,0]=4 357 B5R0.2 COCCOC F16635 [2,0,0,0,0,0|2,0,0]=4 358 B5R0.2 CSCCCO 79218 [2,0,0,0,0,0|1,0,1]=4 359 B5R0.2 CSCCC[NH3+] D91382 [2,0,0,0,0,0|2,0,0]=4 360 B5R0.2 C\C=C/CCC D90857 [2,0,0,0,0,0|0,0,2]=4 361 B5R0.2 ClCCCCBr F11271 [2,0,0,0,0,0|2,0,0]=4 362 B5R0.2 ClCCCCI A10998 [2,0,0,0,0,0|2,0,0]=4 363 B5R0.2 FCCCCBr D87758 [2,0,0,0,0,0|2,0,0]=4 364 B5R0.2 ICCCCI AC1274 [2,0,0,0,0,0|2,0,0]=4 365 B5R0.2 NCCCCBr 24475 [2,0,0,0,0,0|2,0,0]=4 366 B5R0.2 NCCCCN F17678 [2,0,0,0,0,0|2,0,0]=4 367 B5R0.2 NCCCCN N11902 [2,0,0,0,0,0|2,0,0]=4 368 B5R0.2 NCCCCO 51530 [2,0,0,0,0,0|1,0,1]=4 369 B5R0.2 OCCCCBr 54526 [2,0,0,0,0,0|1,0,1]=4 370 B5R0.2 OCCCCCl F11085 [2,0,0,0,0,0|1,0,1]=4 371 B5R0.2 OCCCCI D81265 [2,0,0,0,0,0|1,0,1]=4 372 B7R0.3 C#C[C@@H](O)CCCC D90876 [1,1,0,0,0,0|0,0,2]=4 373 B7R0.3 C=CCC[C@H](Br)CBr T70912 [1,1,0,0,0,0|1,0,1]=4 374 B7R0.3 CCCCC(=O)CC D90783 [1,1,0,0,0,0|0,0,2]=4 375 B7R0.3 CCCC[C@H](Br)CBr D93164 [1,1,0,0,0,0|1,0,0]=3 376 B7R0.3 CCCC[C@H](N)CO A11352 [1,1,0,0,0,0|0,0,1]=3 377 B7R0.3 CCCC[C@H](N)CO N12322 [1,1,0,0,0,0|0,0,1]=3 378 B7R0.3 CCCC[C@H](O)CO F11270 [1,1,0,0,0,0|0,0,1]=3 379 B7R0.3 CCOC[C@@H](O)CO H11846 [1,1,0,0,0,0|1,0,1]=4 380 B7R0.3 COC(=O)CCC=O 63110 [1,1,0,0,0,0|1,0,1]=4 381 B7R0.3 CSCC[C@H](N)CO T72236 [1,1,0,0,0,0|1,0,1]=4 382 B7R0.3 OCCC[C@H](O)CO T71793 [1,1,0,0,0,0|1,0,1]=4 383 B7R0.4 C#CCCCC(=O)O F14123 [1,1,0,0,0,0|0,0,2]=4 384 B7R0.4 C=CCCCC(=O)O D86337 [1,1,0,0,0,0|0,0,2]=4 385 B7R0.4 CC(=O)CCCC#N D91224 [1,1,0,0,0,0|1,0,1]=4 386 B7R0.4 CC(=O)CCCCCl D89394 [1,1,0,0,0,0|1,0,0]=3 387 B7R0.4 CC(=O)OCCCCl 22019 [1,1,0,0,0,0|2,0,0]=4 388 B7R0.4 CC(=O)SCCCO D86667 [1,1,0,0,0,0|2,0,0]=4 389 B7R0.4 CC(C)CCCCO D94723 [1,1,0,0,0,0|0,0,1]=3 390 B7R0.4 CC(C)NCCCO H11834 [1,1,0,0,0,0|1,0,1]=4 391 B7R0.4 CCCCCB(O)O 33673 [1,1,0,0,0,0|1,0,1]=4 392 B7R0.4 CCCCCC(=O)[O-] D82015 [1,1,0,0,0,0|0,0,0]=2 393 B7R0.4 CCCCCC(N)=O D89187 [1,1,0,0,0,0|0,0,0]=2 394 B7R0.4 CCCCC[C@H](C)N D90921 [1,1,0,0,0,0|0,0,1]=3 395 B7R0.4 CCCCC[C@H](C)O D83253 [1,1,0,0,0,0|0,0,1]=3 396 B7R0.4 CCCCNC(N)=O D88864 [1,1,0,0,0,0|1,0,0]=3 397 B7R0.4 CCCCNC(N)=S T70321 [1,1,0,0,0,0|1,1,0]=4 398 B7R0.4 CCCCOC(=S)[S-] D82014 [1,1,0,0,0,0|1,1,0]=4 399 B7R0.4 CCCCOC(C)C D93400 [1,1,0,0,0,0|1,0,1]=4 400 B7R0.4 CCCCOC(N)=O D89279 [1,1,0,0,0,0|1,0,0]=3 401 B7R0.4 CCCCSC(C)=O 79049 [1,1,0,0,0,0|1,0,0]=3 402 B7R0.4 CCC\C=C\C(=O)O C10700 [1,1,0,0,0,0|0,0,2]=4 403 B7R0.4 CCC\C=C\C(C)=O F17581 [1,1,0,0,0,0|0,0,2]=4 404 B7R0.4 CC\C=C\CC(=O)O D82088 [1,1,0,0,0,0|0,0,2]=4 405 B7R0.4 CN(C)CCCCN 76925 [1,1,0,0,0,0|2,0,0]=4 406 B7R0.4 CNCCCC(=O)O 20515 [1,1,0,0,0,0|1,0,0]=3 407 B7R0.4 CNCCCC(=O)O AB7427 [1,1,0,0,0,0|1,0,0]=3 408 B7R0.4 C[C@H](O)CNCCN D90833 [1,1,0,0,0,0|2,0,0]=4 409 B7R0.4 C[C@H](O)CNCCO C13406 [1,1,0,0,0,0|1,0,1]=4 410 B7R0.4 N#CCCCC(=O)O RB3314 [1,1,0,0,0,0|1,0,1]=4 411 B7R0.4 NC(=O)COCCCl F15040 [1,1,0,0,0,0|2,0,0]=4 412 B7R0.4 NCCCCC(=O)O 76219 [1,1,0,0,0,0|1,0,0]=3 413 B7R0.4 NCCCCC(=O)O D78140 [1,1,0,0,0,0|1,0,0]=3 414 B7R0.4 NCCOCC(=O)O AT23391 [1,1,0,0,0,0|2,0,0]=4 415 B7R0.4 O=C(Cl)CCCCBr H11319 [1,1,0,0,0,0|1,0,0]=3 416 B7R0.4 O=C(Cl)CCCCCl D89459 [1,1,0,0,0,0|1,0,0]=3 417 B7R0.4 O=C(Cl)OCCCCl D89474 [1,1,0,0,0,0|2,0,0]=4 418 B7R0.4 O=C(O)CCCCBr 76255 [1,1,0,0,0,0|1,0,0]=3 419 B7R0.4 O=C(O)CCCCCl C10667 [1,1,0,0,0,0|1,0,0]=3 420 B7R0.4 O=C(O)CNCCO AB10154 [1,1,0,0,0,0|2,0,0]=4 421 B7R0.4 O=C(O)COCCCl 29961 [1,1,0,0,0,0|2,0,0]=4 422 B7R0.4 O=C([O-])CCCCO F13839 [1,1,0,0,0,0|1,0,0]=3 423 B7R0.7 CCCC(N)CCC 28065 [1,1,0,0,0,0|0,0,1]=3 424 B7R0.7 CCCC(O)CCC H10221 [1,1,0,0,0,0|0,0,1]=3 425 B7R0.7 CCCN(C)CCC D95729 [1,1,0,0,0,0|1,0,1]=4 426 B7R0.7 CCC[C@H](C)CCO T71716 [1,1,0,0,0,0|0,0,1]=3 427 B7R0.7 CCC[C@H](S)CCO D84193 [1,1,0,0,0,0|0,0,1]=3 428 B9R0.4 CCCC[C@H](N)CC(=O)O 29775 [0,2,0,0,0,0|0,0,0]=2 429 B9R0.5 CCCCC[C@@H](C)CCC T71919 [0,2,0,0,0,0|1,0,1]=4 430 B9R0.18 CCCCC(N)CCCC 81547 [0,2,0,0,0,0|1,0,1]=4 431 B9R0.18 CCCCC(O)CCCC D91684 [0,2,0,0,0,0|1,0,1]=4 432 B9R0.48 CCOC(=O)CCC(=O)Cl 75812 [0,2,0,0,0,0|1,0,1]=4 433 B9R0.48 CCOC(=O)CCC(=O)O O11227 [0,2,0,0,0,0|1,0,1]=4 434 B9R0.48 CCOC(=O)CCC(C)=O D77713 [0,2,0,0,0,0|1,0,1]=4 435 B9R0.48 CCOC(=O)CCC(N)=O 59592 [0,2,0,0,0,0|1,0,1]=4 436 B9R0.66 C#CC[C@@](C)(O)CCCC AC1974 [0,2,0,0,0,0|1,0,1]=4 437 B9R0.2 CC(=O)NCCCCCN F14796 [0,2,0,0,0,0|1,0,0]=3 438 B9R0.2 CC(=O)OCCCCCBr D70120 [0,2,0,0,0,0|1,0,0]=3 439 B9R0.2 CC(=O)OCCOCCCl D95763 [0,2,0,0,0,0|2,0,0]=4 440 B9R0.2 CC(=O)OCCOCCO S10606 [0,2,0,0,0,0|2,0,0]=4 441 B9R0.2 CC(C)NCCCCCO H11897 [0,2,0,0,0,0|0,0,2]=4 442 B9R0.2 CCCCCCCB(O)O F30119 [0,2,0,0,0,0|0,0,2]=4 443 B9R0.2 CCCCCCCC(N)=O D91840 [0,2,0,0,0,0|0,0,0]=2 444 B9R0.2 CCCCCCNC(N)=S D97364 [0,2,0,0,0,0|0,1,0]=3 445 B9R0.2 CCCNCCCN(C)C D97633 [0,2,0,0,0,0|2,0,0]=4 446 B9R0.2 CC\C=C/CCOC(C)=O D88345 [0,2,0,0,0,0|0,0,2]=4 447 B9R0.2 COCCCCOC(C)=O D88465 [0,2,0,0,0,0|1,0,0]=3 448 B9R0.2 NCCCCCCC(=O)O 33797 [0,2,0,0,0,0|0,0,0]=2 449 B9R0.2 NCCCCCCC(=O)O F11866 [0,2,0,0,0,0|0,0,0]=2 450 B9R0.2 O=C(O)CCCCCCBr F11868 [0,2,0,0,0,0|0,0,0]=2 451 B9R0.2 O=C(O)CCCCCCO O11656 [0,2,0,0,0,0|0,0,0]=2 452 B9R0.45 BrCCCCCCCCBr O10358 [0,2,0,0,0,0|1,0,1]=4 453 B9R0.45 C#CCCC#CCCCC D83407 [0,2,0,0,0,0|1,0,1]=4 454 B9R0.45 C#CCCCCCCCC F11366 [0,2,0,0,0,0|1,0,1]=4 455 B9R0.45 C#CCCCCCCCO W16725 [0,2,0,0,0,0|0,0,2]=4 456 B9R0.45 C=CCCCCCCC=C D89618 [0,2,0,0,0,0|1,0,0]=3 457 B9R0.45 C=CCCCCCCCBr I11993 [0,2,0,0,0,0|1,0,0]=3 458 B9R0.45 C=CCCCCCCCCl N12233 [0,2,0,0,0,0|1,0,0]=3 459 B9R0.45 C=CCCCCCCCO D91757 [0,2,0,0,0,0|1,0,0]=3 460 B9R0.45 CCCCC#CCCCC D73342 [0,2,0,0,0,0|1,0,1]=4 461 B9R0.45 CCCCCCCCC#N D91888 [0,2,0,0,0,0|1,0,1]=4 462 B9R0.45 CCCCCCCCCI D91171 [0,2,0,0,0,0|1,0,1]=4 463 B9R0.45 CCCCCCCCCO D70513 [0,2,0,0,0,0|0,0,2]=4 464 B9R0.45 CCCCCCCCNC O12029 [0,2,0,0,0,0|1,0,1]=4 465 B9R0.45 CCCCCCCNCC D90566 [0,2,0,0,0,0|1,0,1]=4 466 B9R0.45 CCCCCC\C=C/CO D91736 [0,2,0,0,0,0|0,0,1]=3 467 B9R0.45 CCCCCC\C=C\C=O D91718 [0,2,0,0,0,0|0,0,0]=2 468 B9R0.45 CCCCNCCCCO D88720 [0,2,0,0,0,0|0,0,2]=4 469 B9R0.45 CCCC\C=C\C=C\C=O D91726 [0,2,0,0,0,0|0,0,2]=4 470 B9R0.45 CC\C=C/CCCCCO D91715 [0,2,0,0,0,0|0,0,2]=4 471 B9R0.45 CC\C=C/CC\C=C\C=O D95362 [0,2,0,0,0,0|0,0,2]=4 472 B9R0.45 CNCCCCCCNC F17013 [0,2,0,0,0,0|1,0,1]=4 473 B9R0.45 COCCCCCCOC D90120 [0,2,0,0,0,0|0,0,2]=4 474 B9R0.45 ClCCCCCCCCCl O10360 [0,2,0,0,0,0|1,0,1]=4 475 B9R0.45 ICCCCCCCCI F19540 [0,2,0,0,0,0|1,0,1]=4 476 B9R0.45 N#CCCCCCCC#N A10750 [0,2,0,0,0,0|1,0,1]=4 477 B9R0.45 NCCCCCCCCN F21311 [0,2,0,0,0,0|1,0,1]=4 478 B9R0.45 NCCCCCCCCO H11908 [0,2,0,0,0,0|0,0,2]=4 479 B9R0.45 NCCCCNCCCN D95527 [0,2,0,0,0,0|1,0,1]=4 480 B9R0.45 OCCCCCCCCBr 54574 [0,2,0,0,0,0|0,0,2]=4 481 B9R0.45 OCCCCCCCCCl AC2187 [0,2,0,0,0,0|0,0,2]=4 482 B9R0.45 OCCCCCCCCO O12036 [0,2,0,0,0,0|0,0,2]=4 483 B9R0.45 SCCCCCCCCS D91866 [0,2,0,0,0,0|0,1,1]=4 484 B9R0.46 CCCCCCC(=O)OC D90782 [0,2,0,0,0,0|0,0,0]=2 485 B9R0.46 CCCCCC[C@H](O)CO F21409 [0,2,0,0,0,0|0,0,2]=4 486 B9R0.46 COC(=O)CCCCC=O C76096 [0,2,0,0,0,0|0,0,1]=3 487 B9R0.46 COC(=O)CCCCCBr AC7709 [0,2,0,0,0,0|1,0,0]=3 488 B9R0.46 COC(=O)CCCCCN 24451 [0,2,0,0,0,0|1,0,0]=3 489 B9R0.46 COC(=O)CCCCCO D97618 [0,2,0,0,0,0|1,0,0]=3 490 B9R0.1 CC(C)=CCC[C@H](C)C=O D89853 [0,2,0,0,0,0|0,0,2]=4 491 B9R0.1 COC(=O)CCCC(=O)Cl S11980 [0,2,0,0,0,0|1,0,1]=4 492 B9R0.1 COC(=O)CCCC(=O)O AC9189 [0,2,0,0,0,0|1,0,1]=4 493 B9R0.1 COC(=O)CCCC(C)=O AC8283 [0,2,0,0,0,0|1,0,1]=4 494 B9R0.24 CC[C@H](O)CC[C@@H](O)CC D94487 [0,2,0,0,0,0|1,0,1]=4 495 B9R0.47 CCCCC[C@H](C)C(=O)O D91473 [0,2,0,0,0,0|0,0,0]=2 496 B9R0.47 CCCCC[C@H](N)C(=O)O C71385 [0,2,0,0,0,0|0,0,0]=2 497 B9R0.47 CCSCC[C@H](N)C(=O)O 30126 [0,2,0,0,0,0|1,0,0]=3 498 B9R0.47 NCCCC[C@H](N)C(=O)O 23029 [0,2,0,0,0,0|1,0,0]=3 499 B9R0.47 NCCCC[C@H](N)C(=O)O 26700 [0,2,0,0,0,0|1,0,0]=3 500 B9R0.47 NCCCC[C@H](N)C(=O)O 70041 [0,2,0,0,0,0|1,0,0]=3 501 B9R0.47 NCCCC[C@H](N)C(=O)O AC7885 [0,2,0,0,0,0|1,0,0]=3 502 B9R0.47 NCCCC[C@H](N)C(=O)O D70557 [0,2,0,0,0,0|1,0,0]=3 503 B9R0.47 NCCCC[C@H](N)C(=O)O D70613 [0,2,0,0,0,0|1,0,0]=3 504 B9R0.47 NCCCC[C@H](N)C(=O)O F11082 [0,2,0,0,0,0|1,0,0]=3 505 B9R0.47 NCCCC[C@H](N)C(=O)O FD20004 [0,2,0,0,0,0|1,0,0]=3 506 B9R0.47 NCCCC[C@H](N)C(=O)O S10365 [0,2,0,0,0,0|1,0,0]=3 507 B9R0.47 NCCCC[C@H](N)C(N)=O F10910 [0,2,0,0,0,0|1,0,0]=3 508 B9R0.50 CCCCCC(CO)CO 36757 [0,2,0,0,0,0|0,0,2]=4 509 B9R0.38 CCCCCCC(C)(C)O D93517 [0,2,0,0,0,0|0,0,2]=4 510 B9R0.38 CCCCCCS(=O)(=O)[O-] F10020 [0,2,0,0,0,0|1,0,0]=3 511 B9R0.38 CCCCCCS(=O)(=O)[O-] F10030 [0,2,0,0,0,0|1,0,0]=3 512 B9R0.38 CCCCCC[N+](C)(C)C D90893 [0,2,0,0,0,0|2,0,0]=4 513 B9R0.38 CCCCCC[Si](C)(C)Cl D89556 [0,2,0,0,0,0|1,1,0]=4 514 B9R0.55 CC(=O)CCCCC(=O)O AT14509 [0,2,0,0,0,0|0,0,1]=3 515 B9R0.55 CC(=O)NCCCC(=O)O D87839 [0,2,0,0,0,0|1,0,1]=4 516 B9R0.55 CC(=O)NCCCN(C)C AC5885 [0,2,0,0,0,0|2,0,0]=4 517 B9R0.55 CN(C)CCCCC(=O)O 29149 [0,2,0,0,0,0|1,0,0]=3 518 B9R0.55 CN(C)CCCCC(=O)O 31841 [0,2,0,0,0,0|1,0,0]=3 519 B9R0.55 NC(=O)CCCCC(N)=O W18552 [0,2,0,0,0,0|1,0,1]=4 520 B9R0.55 O=C(Cl)CCCCC(=O)Cl D95337 [0,2,0,0,0,0|1,0,1]=4 521 B9R0.55 O=C(O)CCCCC(=O)O D70505 [0,2,0,0,0,0|1,0,1]=4 522 B9R0.55 O=C([O-])CCCCC(=O)[O-] D88288 [0,2,0,0,0,0|1,0,1]=4 523 B7R1.1 BrCC1CCCC1 54494 [1,0,0,1,0,0|1,0,0]=3 524 B7R1.1 BrC[C@H]1CCCO1 P10030 [1,0,0,1,0,0|1,0,1]=4 525 B7R1.1 C#CC1CCCC1 F16298 [1,0,0,1,0,0|0,0,2]=4 526 B7R1.1 CCN1CCCC1 F17079 [1,0,0,1,0,0|1,0,1]=4 527 B7R1.1 CNC1CCCC1 F20064 [1,0,0,1,0,0|1,0,1]=4 528 B7R1.1 ClC[C@H]1CCCO1 D78464 [1,0,0,1,0,0|1,0,1]=4 529 B7R1.1 ICC1CCCC1 53338 [1,0,0,1,0,0|1,0,0]=3 530 B7R1.1 IC[C@H]1CCOC1 P10359 [1,0,0,1,0,0|2,0,0]=4 531 B7R1.1 N#CC1CCCC1 35375 [1,0,0,1,0,0|1,0,1]=4 532 B7R1.1 NCC1CCCC1 52183 [1,0,0,1,0,0|1,0,0]=3 533 B7R1.1 NC[C@H]1CCCN1 36336 [1,0,0,1,0,0|2,0,0]=4 534 B7R1.1 NC[C@H]1CCCN1 38156 [1,0,0,1,0,0|2,0,0]=4 535 B7R1.1 NC[C@H]1CCOC1 37315 [1,0,0,1,0,0|2,0,0]=4 536 B7R1.1 NC[C@H]1CCOC1 SC2551 [1,0,0,1,0,0|2,0,0]=4 537 B7R1.1 NNC1CCCC1 AB1370 [1,0,0,1,0,0|2,0,0]=4 538 B7R1.1 O=CC1CCCC1 H11353 [1,0,0,1,0,0|0,0,0]=2 539 B7R1.1 O=CN1CCCC1 D83491 [1,0,0,1,0,0|1,0,0]=3 540 B7R1.1 O=C[C@H]1CCOC1 I10170 [1,0,0,1,0,0|1,0,0]=3 541 B7R1.1 O=NN1CCCC1 D82025 [1,0,0,1,0,0|2,0,0]=4 542 B7R1.1 OCC1CCCC1 23321 [1,0,0,1,0,0|0,0,1]=3 543 B7R1.1 OC[C@H]1CCCN1 11146 [1,0,0,1,0,0|1,0,1]=4 544 B7R1.1 OC[C@H]1CCCN1 11148 [1,0,0,1,0,0|1,0,1]=4 545 B7R1.1 OC[C@H]1CCCN1 F10903 [1,0,0,1,0,0|1,0,1]=4 546 B7R1.1 OC[C@H]1CCCO1 D77646 [1,0,0,1,0,0|1,0,1]=4 547 B7R1.1 OC[C@H]1CCCO1 W18447 [1,0,0,1,0,0|1,0,1]=4 548 B7R1.1 OC[C@H]1CCNC1 25702 [1,0,0,1,0,0|1,0,1]=4 549 B7R1.1 OC[C@H]1CCNC1 62385 [1,0,0,1,0,0|1,0,1]=4 550 B7R1.1 OC[C@H]1CCNC1 62386 [1,0,0,1,0,0|1,0,1]=4 551 B7R1.1 OC[C@H]1CCNC1 62387 [1,0,0,1,0,0|1,0,1]=4 552 B7R1.1 OC[C@H]1CCOC1 83670 [1,0,0,1,0,0|1,0,1]=4 553 B7R1.3 BrC1=CCCCC1 N12373 [1,0,0,1,0,0|1,0,1]=4 554 B7R1.3 BrC1CCCCC1 P19773 [1,0,0,1,0,0|1,0,0]=3 555 B7R1.3 BrC1CCNCC1 CL3102 [1,0,0,1,0,0|2,0,0]=4 556 B7R1.3 BrC1CCOCC1 34656 [1,0,0,1,0,0|2,0,0]=4 557 B7R1.3 Br[C@@H]1C=CCCC1 25070 [1,0,0,1,0,0|1,0,1]=4 558 B7R1.3 Br[C@H]1CCCNC1 P16558 [1,0,0,1,0,0|2,0,0]=4 559 B7R1.3 Br[C@H]1CCCOC1 26576 [1,0,0,1,0,0|2,0,0]=4 560 B7R1.3 CC1=CCCCC1 H10759 [1,0,0,1,0,0|0,0,1]=3 561 B7R1.3 CC1=CCCNC1 39250 [1,0,0,1,0,0|1,0,1]=4 562 B7R1.3 CC1=CCNCC1 39249 [1,0,0,1,0,0|1,0,1]=4 563 B7R1.3 CC1SCCCS1 D75611 [1,0,0,1,0,0|1,1,0]=4 564 B7R1.3 C[C@H]1CCCCN1 64251 [1,0,0,1,0,0|1,0,0]=3 565 B7R1.3 C[C@H]1CCCCN1 64253 [1,0,0,1,0,0|1,0,0]=3 566 B7R1.3 C[C@H]1CCCNC1 79119 [1,0,0,1,0,0|1,0,1]=4 567 B7R1.3 C[C@H]1CCCNC1 N10739 [1,0,0,1,0,0|1,0,1]=4 568 B7R1.3 C[C@H]1CNCCN1 29363 [1,0,0,1,0,0|2,0,0]=4 569 B7R1.3 C[C@H]1CNCCN1 29364 [1,0,0,1,0,0|2,0,0]=4 570 B7R1.3 C[C@H]1CNCCN1 29365 [1,0,0,1,0,0|2,0,0]=4 571 B7R1.3 C[C@H]1CNCCN1 29366 [1,0,0,1,0,0|2,0,0]=4 572 B7R1.3 C[C@H]1CNCCO1 27675 [1,0,0,1,0,0|1,0,1]=4 573 B7R1.3 C[C@H]1CNCCO1 F13092 [1,0,0,1,0,0|1,0,1]=4 574 B7R1.3 C[C@H]1COCCN1 24436 [1,0,0,1,0,0|2,0,0]=4 575 B7R1.3 C[C@H]1COCCN1 25281 [1,0,0,1,0,0|2,0,0]=4 576 B7R1.3 C[C@H]1COCCN1 36208 [1,0,0,1,0,0|2,0,0]=4 577 B7R1.3 C[C@H]1COCCN1 39286 [1,0,0,1,0,0|2,0,0]=4 578 B7R1.3 C[C@H]1COCCN1 63476 [1,0,0,1,0,0|2,0,0]=4 579 B7R1.3 ClC1CCNCC1 57750 [1,0,0,1,0,0|2,0,0]=4 580 B7R1.3 ClC1CCOCC1 F17652 [1,0,0,1,0,0|2,0,0]=4 581 B7R1.3 FC1CCNCC1 37042 [1,0,0,1,0,0|2,0,0]=4 582 B7R1.3 FC1CCNCC1 I11481 [1,0,0,1,0,0|2,0,0]=4 583 B7R1.3 F[C@H]1CCCNC1 37083 [1,0,0,1,0,0|2,0,0]=4 584 B7R1.3 IC1CCCCC1 F20359 [1,0,0,1,0,0|1,0,0]=3 585 B7R1.3 IC1CCOCC1 25900 [1,0,0,1,0,0|2,0,0]=4 586 B7R1.3 NC1CCNCC1 66081 [1,0,0,1,0,0|2,0,0]=4 587 B7R1.3 NC1CCNCC1 66087 [1,0,0,1,0,0|2,0,0]=4 588 B7R1.3 NC1CCOCC1 66544 [1,0,0,1,0,0|2,0,0]=4 589 B7R1.3 NC1CCOCC1 83442 [1,0,0,1,0,0|2,0,0]=4 590 B7R1.3 NC1CCOCC1 D95622 [1,0,0,1,0,0|2,0,0]=4 591 B7R1.3 NC1CCSCC1 F15695 [1,0,0,1,0,0|2,0,0]=4 592 B7R1.3 NC1CCSCC1 SC1591 [1,0,0,1,0,0|2,0,0]=4 593 B7R1.3 NN1CCCCC1 77856 [1,0,0,1,0,0|2,0,0]=4 594 B7R1.3 NN1CCCCC1 78303 [1,0,0,1,0,0|2,0,0]=4 595 B7R1.3 N[C@H]1CCCNC1 51800 [1,0,0,1,0,0|2,0,0]=4 596 B7R1.3 N[C@H]1CCCNC1 51802 [1,0,0,1,0,0|2,0,0]=4 597 B7R1.3 N[C@H]1CCCNC1 51816 [1,0,0,1,0,0|2,0,0]=4 598 B7R1.3 N[C@H]1CCCNC1 D77676 [1,0,0,1,0,0|2,0,0]=4 599 B7R1.3 N[C@H]1CCCOC1 53314 [1,0,0,1,0,0|2,0,0]=4 600 B7R1.3 N[C@H]1CCCOC1 69737 [1,0,0,1,0,0|2,0,0]=4 601 B7R1.3 N[C@H]1CCCOC1 P10539 [1,0,0,1,0,0|2,0,0]=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|1,0,0]=3 604 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|2,0,0]=4 615 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|2,0,0]=4 617 B7R1.3 O=C1OCCCO1 F20507 [1,0,0,1,0,0|2,0,0]=4 618 B7R1.3 O=S1CCNCC1 C10519 [1,0,0,1,0,0|2,0,0]=4 619 B7R1.3 OC1CCNCC1 34448 [1,0,0,1,0,0|1,0,1]=4 620 B7R1.3 OC1CCNCC1 67739 [1,0,0,1,0,0|1,0,1]=4 621 B7R1.3 OC1CCOCC1 67293 [1,0,0,1,0,0|1,0,1]=4 622 B7R1.3 OC1CCSCC1 25187 [1,0,0,1,0,0|1,0,1]=4 623 B7R1.3 ON1CCCCC1 65654 [1,0,0,1,0,0|1,0,1]=4 624 B7R1.3 O[C@@H]1C=CCCC1 59596 [1,0,0,1,0,0|1,0,1]=4 625 B7R1.3 O[C@@H]1CCCCO1 F19855 [1,0,0,1,0,0|1,0,1]=4 626 B7R1.3 O[C@H]1CCCNC1 29155 [1,0,0,1,0,0|1,0,1]=4 627 B7R1.3 O[C@H]1CCCNC1 29156 [1,0,0,1,0,0|1,0,1]=4 628 B7R1.3 O[C@H]1CCCNC1 29157 [1,0,0,1,0,0|1,0,1]=4 629 B7R1.3 O[C@H]1CCCNC1 37164 [1,0,0,1,0,0|1,0,1]=4 630 B7R1.3 O[C@H]1CCCNC1 67738 [1,0,0,1,0,0|1,0,1]=4 631 B7R1.3 O[C@H]1CCCNC1 P10773 [1,0,0,1,0,0|1,0,1]=4 632 B7R1.3 O[C@H]1CCCOC1 25828 [1,0,0,1,0,0|1,0,1]=4 633 B7R1.4 CC1OCCC1S AT13652 [1,0,0,1,0,0|1,1,0]=4 634 B7R1.4 CN1CCCC1=O D78116 [1,0,0,1,0,0|1,0,0]=3 635 B7R1.4 CN1CCCC1=S F16372 [1,0,0,1,0,0|1,1,0]=4 636 B7R1.4 CN1CCOC1=O 70761 [1,0,0,1,0,0|2,0,0]=4 637 B7R1.4 C[C@@H]1OCCC1=O O10840 [1,0,0,1,0,0|1,0,0]=3 638 B7R1.4 C[C@@H]1SCCC1=O AC7518 [1,0,0,1,0,0|1,0,0]=3 639 B7R1.4 C[C@H]1CCCC1=O 29606 [1,0,0,1,0,0|0,0,0]=2 640 B7R1.4 C[C@H]1CCOC1=O D70164 [1,0,0,1,0,0|1,0,0]=3 641 B7R1.4 NC1CCCC1O 25425 [1,0,0,1,0,0|1,0,1]=4 642 B7R1.4 NN1CCCC1=O 67417 [1,0,0,1,0,0|2,0,0]=4 643 B7R1.4 N[C@@H]1CCC[C@@H]1O 26214 [1,0,0,1,0,0|1,0,1]=4 644 B7R1.4 N[C@@H]1CCC[C@@H]1O 35677 [1,0,0,1,0,0|1,0,1]=4 645 B7R1.4 N[C@@H]1CCC[C@@H]1O P18490 [1,0,0,1,0,0|1,0,1]=4 646 B7R1.4 N[C@H]1CCC[C@@H]1O 28945 [1,0,0,1,0,0|1,0,1]=4 647 B7R1.4 N[C@H]1CCC[C@@H]1O 34523 [1,0,0,1,0,0|1,0,1]=4 648 B7R1.4 N[C@H]1CCC[C@@H]1O P15627 [1,0,0,1,0,0|1,0,1]=4 649 B7R1.4 N[C@H]1CCNC1=O 51275 [1,0,0,1,0,0|2,0,0]=4 650 B7R1.4 N[C@H]1CCNC1=O F31053 [1,0,0,1,0,0|2,0,0]=4 651 B7R1.4 N[C@H]1CCOC1=O 28853 [1,0,0,1,0,0|2,0,0]=4 652 B7R1.4 N[C@H]1CCOC1=O F14759 [1,0,0,1,0,0|2,0,0]=4 653 B7R1.4 N[C@H]1CCOC1=O FD1139 [1,0,0,1,0,0|2,0,0]=4 654 B7R1.4 N[C@H]1CCOC1=O FD1142 [1,0,0,1,0,0|2,0,0]=4 655 B7R1.4 N[C@H]1CCOC1=O W12226 [1,0,0,1,0,0|2,0,0]=4 656 B7R1.4 N[C@H]1CCSC1=O F17227 [1,0,0,1,0,0|2,0,0]=4 657 B7R1.4 O=C1CCC[C@@H]1Cl F10995 [1,0,0,1,0,0|1,0,0]=3 658 B7R1.4 O=C1NCC[C@@H]1O 25307 [1,0,0,1,0,0|2,0,0]=4 659 B7R1.4 O=C1NCC[C@@H]1O 27245 [1,0,0,1,0,0|2,0,0]=4 660 B7R1.4 O=C1NCC[C@@H]1O 68731 [1,0,0,1,0,0|2,0,0]=4 661 B7R1.4 O=C1OCC[C@@H]1Br H10671 [1,0,0,1,0,0|2,0,0]=4 662 B7R1.4 O=C1OCC[C@@H]1O A12215 [1,0,0,1,0,0|2,0,0]=4 663 B7R1.4 O=C1OCC[C@@H]1O T72635 [1,0,0,1,0,0|2,0,0]=4 664 B7R1.4 OC1CCCC1O 31469 [1,0,0,1,0,0|1,0,1]=4 665 B7R1.4 O[C@H]1CCC[C@@H]1Cl AC7912 [1,0,0,1,0,0|1,0,1]=4 666 B7R1.4 O[C@H]1CCC[C@@H]1O AC7934 [1,0,0,1,0,0|1,0,1]=4 667 B7R1.6 COC[C@H]1CCN1 P13481 [1,0,0,1,0,0|2,0,0]=4 668 B7R1.6 COC[C@H]1CCN1 P14494 [1,0,0,1,0,0|2,0,0]=4 669 B7R1.6 NCCN1CCC1 P15319 [1,0,0,1,0,0|2,0,0]=4 670 B7R1.6 NNCC1CCC1 D93648 [1,0,0,1,0,0|2,0,0]=4 671 B7R1.7 C=CCC[C@H]1CO1 F17137 [1,0,0,1,0,0|1,0,1]=4 672 B7R1.7 CCNCC1CC1 F14236 [1,0,0,1,0,0|1,0,1]=4 673 B7R1.24 C1CNCCNC1 F10906 [1,0,0,1,0,0|2,0,0]=4 674 B7R1.24 C1CNCCOC1 31105 [1,0,0,1,0,0|1,0,1]=4 675 B9R1.2 CNC1CCCC(O)C1 AB7429 [0,1,0,1,0,0|2,0,0]=4 676 B9R1.2 NCC1CCCC(O)C1 31886 [0,1,0,1,0,0|1,0,1]=4 677 B9R1.7 CCCC1=CC(=O)OC1 E70333 [0,1,0,1,0,0|1,0,1]=4 678 B9R1.7 CCC[C@@H]1CNC(=O)C1 W17994 [0,1,0,1,0,0|1,0,0]=3 679 B9R1.7 CCC[C@H]1CCC(=O)O1 D90888 [0,1,0,1,0,0|0,0,0]=2 680 B9R1.8 BrCCC1CCCCC1 O10764 [0,1,0,1,0,0|1,0,1]=4 681 B9R1.8 C=CCN1CCOCC1 D88315 [0,1,0,1,0,0|2,0,0]=4 682 B9R1.8 C=COC1CCCCC1 D97843 [0,1,0,1,0,0|1,0,0]=3 683 B9R1.8 CCC[C@H]1CCCCN1 Y10685 [0,1,0,1,0,0|1,0,1]=4 684 B9R1.8 CCO[C@@H]1CCC=CO1 28714 [0,1,0,1,0,0|0,0,2]=4 685 B9R1.8 CCO[C@H]1CCCNC1 75813 [0,1,0,1,0,0|2,0,0]=4 686 B9R1.8 CNCC1CCOCC1 28114 [0,1,0,1,0,0|2,0,0]=4 687 B9R1.8 COCC1CCNCC1 64129 [0,1,0,1,0,0|2,0,0]=4 688 B9R1.8 COCC1CCNCC1 P10350 [0,1,0,1,0,0|2,0,0]=4 689 B9R1.8 ClCOC1CCCCC1 D89466 [0,1,0,1,0,0|1,0,1]=4 690 B9R1.8 N#CCC1CCCCC1 SC5095 [0,1,0,1,0,0|1,0,1]=4 691 B9R1.8 N#CCC1CCNCC1 F52566 [0,1,0,1,0,0|1,0,1]=4 692 B9R1.8 N#CC[C@H]1CCCNC1 S11284 [0,1,0,1,0,0|1,0,1]=4 693 B9R1.8 NCCC1CCOCC1 51287 [0,1,0,1,0,0|1,0,1]=4 694 B9R1.8 NCCN1CCCCC1 65590 [0,1,0,1,0,0|1,0,1]=4 695 B9R1.8 NCCN1CCCCC1 P10019 [0,1,0,1,0,0|1,0,1]=4 696 B9R1.8 O=CCC1CCOCC1 30303 [0,1,0,1,0,0|0,0,0]=2 697 B9R1.8 O=CNC1=CCCCC1 AB1364 [0,1,0,1,0,0|0,0,2]=4 698 B9R1.8 O=CNC1CCCCC1 D89406 [0,1,0,1,0,0|0,0,0]=2 699 B9R1.8 OCCC1CCCCC1 AC8984 [0,1,0,1,0,0|0,0,2]=4 700 B9R1.8 OCCC1CCNCC1 F11198 [0,1,0,1,0,0|0,0,2]=4 701 B9R1.8 OCCC1CCNCC1 S11476 [0,1,0,1,0,0|0,0,2]=4 702 B9R1.8 OCCN1CCCCC1 D70541 [0,1,0,1,0,0|0,0,2]=4 703 B9R1.8 OCC[C@H]1CCCCN1 36636 [0,1,0,1,0,0|0,0,2]=4 704 B9R1.8 OCC[C@H]1CCCCN1 62346 [0,1,0,1,0,0|0,0,2]=4 705 B9R1.8 OCC[C@H]1CCCCN1 P10605 [0,1,0,1,0,0|0,0,2]=4 706 B9R1.8 OCC[C@H]1CCCCO1 F20608 [0,1,0,1,0,0|0,0,2]=4 707 B9R1.8 OCC[C@H]1CCCNC1 65598 [0,1,0,1,0,0|0,0,2]=4 708 B9R1.8 S=C=NC1CCCCC1 D91097 [0,1,0,1,0,0|0,1,1]=4 709 B9R1.12 CCCCN1CCCC1 D94689 [0,1,0,1,0,0|1,0,1]=4 710 B9R1.12 CCCC[C@H]1CCCN1 D83453 [0,1,0,1,0,0|1,0,1]=4 711 B9R1.12 ClCCCN1CCCC1 30437 [0,1,0,1,0,0|1,0,1]=4 712 B9R1.12 ClCCCN1CCCC1 D70826 [0,1,0,1,0,0|1,0,1]=4 713 B9R1.12 ClCCCN1CCCC1 P17466 [0,1,0,1,0,0|1,0,1]=4 714 B9R1.12 N#C\C=C\C1CCCC1 P20369 [0,1,0,1,0,0|1,0,1]=4 715 B9R1.12 NCCCC1CCCC1 P17748 [0,1,0,1,0,0|1,0,1]=4 716 B9R1.12 NCCCN1CCCC1 35113 [0,1,0,1,0,0|1,0,1]=4 717 B9R1.12 NCCOC1CCCC1 31471 [0,1,0,1,0,0|1,0,1]=4 718 B9R1.12 OCCCC1CCCC1 AB3609 [0,1,0,1,0,0|0,0,2]=4 719 B9R1.12 OCCCN1CCCC1 29105 [0,1,0,1,0,0|0,0,2]=4 720 B9R1.15 CC[C@@H]1NCCNC1=O 60848 [0,1,0,1,0,0|1,0,0]=3 721 B9R1.15 CC[C@H]1CCCCC1=O D97760 [0,1,0,1,0,0|0,0,0]=2 722 B9R1.15 CN1CCCC[C@@H]1CO 39294 [0,1,0,1,0,0|0,0,2]=4 723 B9R1.15 CO[C@H]1CCCCC1=O P19682 [0,1,0,1,0,0|0,0,0]=2 724 B9R1.15 C[C@H]1CCCC\C1=N\O D86326 [0,1,0,1,0,0|0,0,1]=3 725 B9R1.15 N#C[C@H]1CCCCC1=O W17330 [0,1,0,1,0,0|0,0,1]=3 726 B9R1.15 N#C[C@H]1CNCCC1=O 25224 [0,1,0,1,0,0|1,0,1]=4 727 B9R1.27 CCC1C(=O)CCC1=O A10931 [0,1,0,1,0,0|0,0,1]=3 728 B9R1.27 CCN1C(=O)CCC1=O F16391 [0,1,0,1,0,0|1,0,1]=4 729 B9R1.33 C=CCN1CCCC1=O 51312 [0,1,0,1,0,0|0,0,2]=4 730 B9R1.33 CCCN1CCCC1=O 65466 [0,1,0,1,0,0|0,0,0]=2 731 B9R1.33 CN1CCC[C@@H]1CCN 56034 [0,1,0,1,0,0|1,0,1]=4 732 B9R1.33 CN1CCC[C@@H]1CCN P19602 [0,1,0,1,0,0|1,0,1]=4 733 B9R1.33 CN1CCC[C@@H]1CCO 28910 [0,1,0,1,0,0|0,0,2]=4 734 B9R1.33 NCCN1CCCC1=O 60045 [0,1,0,1,0,0|1,0,0]=3 735 B9R1.33 NCCN1CCNC1=O H10573 [0,1,0,1,0,0|2,0,0]=4 736 B9R1.33 O=C1CCCN1CCCl 71142 [0,1,0,1,0,0|1,0,0]=3 737 B9R1.33 O=C1CCCN1CCO AT12426 [0,1,0,1,0,0|1,0,0]=3 738 B9R1.33 O=C1NCCN1CCO AT18735 [0,1,0,1,0,0|2,0,0]=4 739 B9R1.33 O=C1OCCN1CCCl W16070 [0,1,0,1,0,0|2,0,0]=4 740 B9R1.33 OCCC1CCCC1O D80870 [0,1,0,1,0,0|0,0,2]=4 741 B9R1.48 O=C1CCCCC(=O)C1 35108 [0,1,0,1,0,0|0,0,1]=3 742 B9R1.48 O=C1CCCCC(=O)O1 F20518 [0,1,0,1,0,0|1,0,1]=4 743 B9R1.48 O=C1CCCCC(=S)N1 D95361 [0,1,0,1,0,0|1,0,1]=4 744 B9R1.49 CN1CCCC(=O)CC1 34283 [0,1,0,1,0,0|1,0,0]=3 745 B9R1.49 CN1CCC[C@H](O)CC1 63485 [0,1,0,1,0,0|2,0,0]=4 746 B9R1.49 CN1CCNC(=O)CC1 64338 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.50 NC1CCCCCCC1 D89372 [0,1,0,1,0,0|1,0,1]=4 748 B9R1.50 O=C1CCCCCCC1 78195 [0,1,0,1,0,0|0,0,0]=2 749 B9R1.50 O=C1CCCCCCN1 35268 [0,1,0,1,0,0|0,0,0]=2 750 B9R1.50 O=C1CCCCCCO1 D94278 [0,1,0,1,0,0|0,0,0]=2 751 B9R1.50 OC1CCCCCCC1 D89280 [0,1,0,1,0,0|0,0,2]=4 752 B9R1.50 O[C@@H]1CCC=CCCC1 H10619 [0,1,0,1,0,0|1,0,0]=3 753 B9R1.69 CC1CCC(C)C(O)C1 D89706 [0,1,0,1,0,0|0,0,2]=4 754 B9R1.69 CN1CC[C@H](N)CC1=O 37085 [0,1,0,1,0,0|1,0,0]=3 755 B9R1.69 C[C@H]1CN(C)CCC1=O 68472 [0,1,0,1,0,0|1,0,0]=3 756 B9R1.134 N#CCC1(N)CCCC1 53169 [0,1,0,1,0,0|1,0,1]=4 757 B9R1.5 CN1CCCCCC1=O F20350 [0,1,0,1,0,0|0,0,0]=2 758 B9R1.5 CN1CCNCCC1=O Y10627 [0,1,0,1,0,0|1,0,0]=3 759 B9R1.5 N[C@H]1CCCCNC1=O 36347 [0,1,0,1,0,0|1,0,0]=3 760 B9R1.5 N[C@H]1CCCCNC1=O 52018 [0,1,0,1,0,0|1,0,0]=3 761 B9R1.5 N[C@H]1CCCCNC1=O A56019 [0,1,0,1,0,0|1,0,0]=3 762 B9R1.5 N[C@H]1CCCCNC1=O A56021 [0,1,0,1,0,0|1,0,0]=3 763 B9R1.5 N[C@H]1CCCCNC1=O Y10023 [0,1,0,1,0,0|1,0,0]=3 764 B9R1.14 CCN1CCC[C@@H]1CN 23003 [0,1,0,1,0,0|1,0,1]=4 765 B9R1.14 CCN1CCC[C@@H]1CN 51604 [0,1,0,1,0,0|1,0,1]=4 766 B9R1.14 CCN1CCC[C@@H]1CN 51605 [0,1,0,1,0,0|1,0,1]=4 767 B9R1.14 CCN1CCC[C@@H]1CN P10007 [0,1,0,1,0,0|1,0,1]=4 768 B9R1.14 CCN1CCC[C@@H]1CN P10140 [0,1,0,1,0,0|1,0,1]=4 769 B9R1.83 CCCCCC[C@H]1CO1 F20386 [0,1,0,1,0,0|0,0,2]=4 770 B9R1.89 CNC1CCCCCC1 D95799 [0,1,0,1,0,0|1,0,1]=4 771 B9R1.89 COC1=NCCCCC1 78135 [0,1,0,1,0,0|1,0,1]=4 772 B9R1.89 O=NN1CCCCCC1 D93582 [0,1,0,1,0,0|1,0,0]=3 773 B9R1.89 OCC1CCCCCC1 A11790 [0,1,0,1,0,0|0,0,2]=4 774 B9R1.89 ON=C1CCCCCC1 D89425 [0,1,0,1,0,0|0,0,1]=3 775 B9R1.1 CC1CCC(CO)CC1 D91499 [0,1,0,1,0,0|0,0,2]=4 776 B9R1.1 CCC1CCC(O)CC1 D71246 [0,1,0,1,0,0|1,0,1]=4 777 B9R1.1 CN1CCN(C=O)CC1 V10023 [0,1,0,1,0,0|2,0,0]=4 778 B9R1.1 CNC1CCC(O)CC1 AB3908 [0,1,0,1,0,0|2,0,0]=4 779 B9R1.1 CN[C@H]1CC[C@H](O)CC1 AB3909 [0,1,0,1,0,0|2,0,0]=4 780 B9R1.1 COC1CCC(C)CC1 D80701 [0,1,0,1,0,0|2,0,0]=4 781 B9R1.1 COC1CCC(N)CC1 76154 [0,1,0,1,0,0|2,0,0]=4 782 B9R1.1 COC1CCC(O)CC1 32564 [0,1,0,1,0,0|2,0,0]=4 783 B9R1.1 CO[C@H]1CC[C@H](N)CC1 S11821 [0,1,0,1,0,0|2,0,0]=4 784 B9R1.1 C[C@H]1CC[C@H](CO)CC1 73068 [0,1,0,1,0,0|0,0,2]=4 785 B9R1.1 N[C@H]1CC[C@H](CO)CC1 66170 [0,1,0,1,0,0|0,0,2]=4 786 B9R1.1 N[C@H]1CC[C@H](CO)CC1 W16992 [0,1,0,1,0,0|0,0,2]=4 787 B9R1.1 OCC1CCC(O)CC1 T72324 [0,1,0,1,0,0|0,0,2]=4 788 B9R1.3 CC1C(=O)CCCC1=O F19547 [0,1,0,1,0,0|0,0,1]=3 789 B9R1.3 CC1CCCC(O)C1C C72857 [0,1,0,1,0,0|0,0,2]=4 790 B9R1.3 CN1CCCN(C)C1=O P17490 [0,1,0,1,0,0|2,0,0]=4 791 B9R1.3 O=C1CCCC(=O)C1Br 93752 [0,1,0,1,0,0|1,0,1]=4 792 B9R1.118 C#CC1(N)CCCCC1 20495 [0,1,0,1,0,0|1,0,1]=4 793 B9R1.118 C#CC1(O)CCCCC1 N11899 [0,1,0,1,0,0|1,0,1]=4 794 B9R1.118 CC1(C=O)CCCCC1 BL001447 [0,1,0,1,0,0|0,0,0]=2 795 B9R1.118 CCC1(O)CCCCC1 I11478 [0,1,0,1,0,0|1,0,1]=4 796 B9R1.118 N#CC1(N)CCCCC1 AB10038 [0,1,0,1,0,0|1,0,1]=4 797 B9R1.6 CC(=O)C1CCCCC1 P10040 [0,1,0,1,0,0|0,0,0]=2 798 B9R1.6 CC(=O)C1CCNCC1 25527 [0,1,0,1,0,0|1,0,0]=3 799 B9R1.6 CC(=O)C1CCOCC1 53199 [0,1,0,1,0,0|1,0,0]=3 800 B9R1.6 CC(=O)N1CCCCC1 S12042 [0,1,0,1,0,0|1,0,0]=3 801 B9R1.6 CC(=O)N1CCNCC1 75167 [0,1,0,1,0,0|2,0,0]=4 802 B9R1.6 CC(=O)N1CCOCC1 C10101 [0,1,0,1,0,0|2,0,0]=4 803 B9R1.6 CC(=O)[C@@H]1CCCCN1 W15841 [0,1,0,1,0,0|1,0,0]=3 804 B9R1.6 C[C@H](N)C1CCCCC1 79906 [0,1,0,1,0,0|1,0,1]=4 805 B9R1.6 C[C@H](N)C1CCCCC1 79909 [0,1,0,1,0,0|1,0,1]=4 806 B9R1.6 C[C@H](N)C1CCCCC1 N12504 [0,1,0,1,0,0|1,0,1]=4 807 B9R1.6 C[C@H](O)C1CCCCC1 F11489 [0,1,0,1,0,0|0,0,2]=4 808 B9R1.6 N=C(N)C1CCCCC1 F20883 [0,1,0,1,0,0|1,0,0]=3 809 B9R1.6 NC(=O)C1CCCCC1 78531 [0,1,0,1,0,0|0,0,0]=2 810 B9R1.6 NC(=O)C1CCNCC1 39421 [0,1,0,1,0,0|1,0,0]=3 811 B9R1.6 NC(=O)C1CCOCC1 BL008091 [0,1,0,1,0,0|1,0,0]=3 812 B9R1.6 NC(=O)N1CCNCC1 C15836 [0,1,0,1,0,0|2,0,0]=4 813 B9R1.6 NC(=O)[C@@H]1CCCCN1 39419 [0,1,0,1,0,0|1,0,0]=3 814 B9R1.6 NC(=O)[C@@H]1CNCCO1 W13721 [0,1,0,1,0,0|2,0,0]=4 815 B9R1.6 NC(=O)[C@H]1CCCNC1 34666 [0,1,0,1,0,0|1,0,0]=3 816 B9R1.6 NC(=O)[C@H]1CCCNC1 37192 [0,1,0,1,0,0|1,0,0]=3 817 B9R1.6 NC(=O)[C@H]1CCCNC1 AB2972 [0,1,0,1,0,0|1,0,0]=3 818 B9R1.6 NC(=S)C1CCNCC1 D95075 [0,1,0,1,0,0|1,1,0]=4 819 B9R1.6 O=C(Cl)C1CCOCC1 F12379 [0,1,0,1,0,0|1,0,0]=3 820 B9R1.6 O=C(Cl)N1CCCCC1 F14628 [0,1,0,1,0,0|1,0,0]=3 821 B9R1.6 O=C(Cl)N1CCOCC1 FD10526 [0,1,0,1,0,0|2,0,0]=4 822 B9R1.6 O=C(O)C1=CCCCC1 22410 [0,1,0,1,0,0|0,0,2]=4 823 B9R1.6 O=C(O)C1CCCCC1 P17799 [0,1,0,1,0,0|0,0,0]=2 824 B9R1.6 O=C(O)C1CCNCC1 AB2970 [0,1,0,1,0,0|1,0,0]=3 825 B9R1.6 O=C(O)C1CCNCC1 O12044 [0,1,0,1,0,0|1,0,0]=3 826 B9R1.6 O=C(O)C1CCOCC1 66534 [0,1,0,1,0,0|1,0,0]=3 827 B9R1.6 O=C(O)[C@@H]1CC=CCC1 38226 [0,1,0,1,0,0|0,0,2]=4 828 B9R1.6 O=C(O)[C@@H]1CC=CCC1 77785 [0,1,0,1,0,0|0,0,2]=4 829 B9R1.6 O=C(O)[C@@H]1CC=CCC1 F11249 [0,1,0,1,0,0|0,0,2]=4 830 B9R1.6 O=C(O)[C@@H]1CCCCN1 24951 [0,1,0,1,0,0|1,0,0]=3 831 B9R1.6 O=C(O)[C@@H]1CCCCN1 39420 [0,1,0,1,0,0|1,0,0]=3 832 B9R1.6 O=C(O)[C@@H]1CCCCN1 65236 [0,1,0,1,0,0|1,0,0]=3 833 B9R1.6 O=C(O)[C@@H]1CCCCN1 69549 [0,1,0,1,0,0|1,0,0]=3 834 B9R1.6 O=C(O)[C@@H]1CCCCN1 69551 [0,1,0,1,0,0|1,0,0]=3 835 B9R1.6 O=C(O)[C@@H]1CCCCN1 78208 [0,1,0,1,0,0|1,0,0]=3 836 B9R1.6 O=C(O)[C@@H]1CCCCO1 29454 [0,1,0,1,0,0|1,0,0]=3 837 B9R1.6 O=C(O)[C@@H]1CNCCN1 65130 [0,1,0,1,0,0|2,0,0]=4 838 B9R1.6 O=C(O)[C@@H]1CNCCN1 65131 [0,1,0,1,0,0|2,0,0]=4 839 B9R1.6 O=C(O)[C@@H]1CNCCN1 65134 [0,1,0,1,0,0|2,0,0]=4 840 B9R1.6 O=C(O)[C@@H]1CNCCN1 65232 [0,1,0,1,0,0|2,0,0]=4 841 B9R1.6 O=C(O)[C@@H]1CNCCO1 29628 [0,1,0,1,0,0|2,0,0]=4 842 B9R1.6 O=C(O)[C@@H]1CNCCO1 50551 [0,1,0,1,0,0|2,0,0]=4 843 B9R1.6 O=C(O)[C@@H]1COCCN1 25382 [0,1,0,1,0,0|2,0,0]=4 844 B9R1.6 O=C(O)[C@@H]1COCCN1 36698 [0,1,0,1,0,0|2,0,0]=4 845 B9R1.6 O=C(O)[C@@H]1COCCN1 63498 [0,1,0,1,0,0|2,0,0]=4 846 B9R1.6 O=C(O)[C@@H]1COCCO1 F16389 [0,1,0,1,0,0|2,0,0]=4 847 B9R1.6 O=C(O)[C@@H]1CSCCN1 66698 [0,1,0,1,0,0|2,0,0]=4 848 B9R1.6 O=C(O)[C@H]1CCCNC1 24456 [0,1,0,1,0,0|1,0,0]=3 849 B9R1.6 O=C(O)[C@H]1CCCNC1 29863 [0,1,0,1,0,0|1,0,0]=3 850 B9R1.6 O=C(O)[C@H]1CCCNC1 64551 [0,1,0,1,0,0|1,0,0]=3 851 B9R1.6 O=C(O)[C@H]1CCCNC1 64552 [0,1,0,1,0,0|1,0,0]=3 852 B9R1.6 O=C(O)[C@H]1CCCNC1 64555 [0,1,0,1,0,0|1,0,0]=3 853 B9R1.6 O=C(O)[C@H]1CCCOC1 85695 [0,1,0,1,0,0|1,0,0]=3 854 B9R1.6 O=[N+]([O-])C1CCCCC1 F17587 [0,1,0,1,0,0|1,0,0]=3 855 B9R1.6 OB(O)C1CCCCC1 33988 [0,1,0,1,0,0|1,0,1]=4 856 B9R1.13 CC(=O)NC1CCCC1 20635 [0,1,0,1,0,0|1,0,0]=3 857 B9R1.13 CC(=O)N[C@H]1CCNC1 50520 [0,1,0,1,0,0|2,0,0]=4 858 B9R1.13 CC(=O)N[C@H]1CCNC1 P16272 [0,1,0,1,0,0|2,0,0]=4 859 B9R1.13 CC(C)C[C@H]1CCCN1 AR1079 [0,1,0,1,0,0|1,0,1]=4 860 B9R1.13 O=C(Cl)OC1CCCC1 35687 [0,1,0,1,0,0|1,0,0]=3 861 B9R1.13 O=C(O)CC1CCCC1 70862 [0,1,0,1,0,0|0,0,0]=2 862 B9R1.13 O=C(O)CN1CCCC1 71481 [0,1,0,1,0,0|1,0,0]=3 863 B9R1.13 O=C(O)CN1CCCC1 F21166 [0,1,0,1,0,0|1,0,0]=3 864 B9R1.13 O=C(O)C[C@H]1CCCN1 22918 [0,1,0,1,0,0|1,0,0]=3 865 B9R1.13 O=C(O)C[C@H]1CCCN1 62961 [0,1,0,1,0,0|1,0,0]=3 866 B9R1.13 O=C(O)C[C@H]1CCNC1 37360 [0,1,0,1,0,0|1,0,0]=3 867 B9R1.13 O=C(O)C[C@H]1CCNC1 50101 [0,1,0,1,0,0|1,0,0]=3 868 B9R1.13 O=C(O)C[C@H]1CCNC1 65588 [0,1,0,1,0,0|1,0,0]=3 869 B9R1.13 O=C(O)C[C@H]1CCOC1 25150 [0,1,0,1,0,0|1,0,0]=3 870 B9R1.40 CC1(C)CCCCC1=O 25898 [0,1,0,1,0,0|0,0,0]=2 871 B9R1.40 CC1(C)CNCCC1=O 84109 [0,1,0,1,0,0|1,0,0]=3 872 B9R1.40 CC1(C)CNCCC1=O FD10497 [0,1,0,1,0,0|1,0,0]=3 873 B9R1.40 CC1(C)NCCNC1=O 37871 [0,1,0,1,0,0|2,0,0]=4 874 B9R1.40 O=C1NCCCC1(Br)Br W10981 [0,1,0,1,0,0|2,0,0]=4 875 B9R1.41 CC(=O)N1CCCC1=O H11367 [0,1,0,1,0,0|1,0,1]=4 876 B9R1.41 CC(=O)[C@@H]1CCOC1=O S12358 [0,1,0,1,0,0|1,0,1]=4 877 B9R1.41 CC1CCCC1C(=O)O 33416 [0,1,0,1,0,0|0,0,0]=2 878 B9R1.41 CN1CCC[C@H]1C(=O)O 28869 [0,1,0,1,0,0|1,0,0]=3 879 B9R1.41 CN1CCC[C@H]1C(=O)O 32214 [0,1,0,1,0,0|1,0,0]=3 880 B9R1.41 CN1CCC[C@H]1C(=O)O 32659 [0,1,0,1,0,0|1,0,0]=3 881 B9R1.41 CN1CCC[C@H]1C(=O)O 35836 [0,1,0,1,0,0|1,0,0]=3 882 B9R1.41 CN1CCC[C@H]1C(=O)O 74862 [0,1,0,1,0,0|1,0,0]=3 883 B9R1.41 CN1CCC[C@H]1C(=O)O 93283 [0,1,0,1,0,0|1,0,0]=3 884 B9R1.41 CN1CCC[C@H]1C(N)=O D83037 [0,1,0,1,0,0|1,0,0]=3 885 B9R1.41 CN1CCC[C@H]1C(N)=O P20756 [0,1,0,1,0,0|1,0,0]=3 886 B9R1.41 NC1CCCC1C(=O)O D94461 [0,1,0,1,0,0|1,0,0]=3 887 B9R1.148 CC1(O)CCCCCC1 D93172 [0,1,0,1,0,0|0,0,2]=4 888 B9R2.39 BrC1CC2CCC1C2 D84065 [0,0,0,2,0,0|1,0,1]=4 889 B9R2.39 Br[C@H]1C[C@@H]2CC[C@H]1C2 39383 [0,0,0,2,0,0|1,0,1]=4 890 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 77740 [0,0,0,2,0,0|1,0,1]=4 891 B9R2.39 OC1CC2C=CC1C2 FD14040 [0,0,0,2,0,0|2,0,0]=4 892 B9R2.109 O=C1CCCC2OC12 AB10163 [0,0,0,2,0,0|1,0,0]=3 893 B9R2.3 C1CC2CNCC2C1 33250 [0,0,0,2,0,0|1,0,1]=4 894 B9R2.3 C1CC2CNCC2C1 80437 [0,0,0,2,0,0|1,0,1]=4 895 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 11262 [0,0,0,2,0,0|1,0,1]=4 896 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 P10860 [0,0,0,2,0,0|1,0,1]=4 897 B9R2.7 O=C1CC2C=CCC12 54049 [0,0,0,2,0,0|0,0,2]=4