0 B6R0.6 BrCCCCCBr D70772 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.6 BrCCOCCBr 12226 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 C#CCCCC#C D90884 [0,0,0,0,0,0|1,0,3]=4 3 B6R0.6 C#CCCCCO F10490 [0,0,0,0,0,0|0,0,2]=2 4 B6R0.6 C#CCOCCN C70245 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.6 C#CCOCCO F16468 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.6 C=CCCCCBr F14895 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.6 C=CCCCCCl N11935 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.6 C=CCCCCO 35574 [0,0,0,0,0,0|0,0,2]=2 9 B6R0.6 C=COCCCN 75654 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.6 CCC#CCCO F11743 [0,0,0,0,0,0|0,0,2]=2 11 B6R0.6 CCCC#CCO D90881 [0,0,0,0,0,0|0,0,2]=2 12 B6R0.6 CCCC=CC=O D78252 [0,0,0,0,0,0|0,0,4]=4 13 B6R0.6 CCCCCCI F20355 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.6 CCCCCCN F19564 [0,0,0,0,0,0|1,0,0]=1 15 B6R0.6 CCCCCNC D91584 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.6 CCCCN=C=S D91107 [0,0,0,0,0,0|1,1,1]=3 17 B6R0.6 CCCNCCC D89745 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.6 CCCNCCO C10761 [0,0,0,0,0,0|1,0,0]=1 19 B6R0.6 CCCOCCCl H10822 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.6 CCC\C=C\CO D78301 [0,0,0,0,0,0|0,0,2]=2 21 B6R0.6 CCNCCCN D82016 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.6 CCNCCCO 31655 [0,0,0,0,0,0|1,0,0]=1 23 B6R0.6 CCNCCOC H11999 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.6 CCOCCCCl D95770 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.6 CCOCCCO D95933 [0,0,0,0,0,0|1,0,0]=1 26 B6R0.6 CC\C=C/CCO 73722 [0,0,0,0,0,0|0,0,2]=2 27 B6R0.6 CNCCCCO F10210 [0,0,0,0,0,0|1,0,0]=1 28 B6R0.6 COCCCCBr F13727 [0,0,0,0,0,0|2,0,0]=2 29 B6R0.6 COCCCCCl 28715 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.6 COCCCCO D78159 [0,0,0,0,0,0|1,0,0]=1 31 B6R0.6 COCCN=[N+]=[N-] AC8733 [0,0,0,0,0,0|4,0,0]=4 32 B6R0.6 COCCOCCl H11303 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.6 COCOCOC 75328 [0,0,0,0,0,0|4,0,0]=4 34 B6R0.6 C[NH2+]CCC[NH2+]C D90229 [0,0,0,0,0,0|3,0,0]=3 35 B6R0.6 C\C=C\C=C\CO D77844 [0,0,0,0,0,0|0,0,4]=4 36 B6R0.6 ClCCCCCBr S10881 [0,0,0,0,0,0|2,0,0]=2 37 B6R0.6 ClCCCCCI A10955 [0,0,0,0,0,0|2,0,0]=2 38 B6R0.6 ClCCNCCCl 97536 [0,0,0,0,0,0|3,0,0]=3 39 B6R0.6 FCCCCCBr 24471 [0,0,0,0,0,0|2,0,0]=2 40 B6R0.6 ICCCCCI P10001 [0,0,0,0,0,0|2,0,0]=2 41 B6R0.6 ICCOCCI C90294 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.6 N#CCCCC#N D95363 [0,0,0,0,0,0|2,0,2]=4 43 B6R0.6 N#CCCCCCl 28437 [0,0,0,0,0,0|2,0,1]=3 44 B6R0.6 N#CCCCCN S10714 [0,0,0,0,0,0|2,0,1]=3 45 B6R0.6 N#CCOCCCl 72645 [0,0,0,0,0,0|3,0,1]=4 46 B6R0.6 NCCCCCN D83408 [0,0,0,0,0,0|2,0,0]=2 47 B6R0.6 NCCCCCO I11482 [0,0,0,0,0,0|1,0,0]=1 48 B6R0.6 NCCNCCO D77720 [0,0,0,0,0,0|2,0,0]=2 49 B6R0.6 NCCOCCN 75244 [0,0,0,0,0,0|3,0,0]=3 50 B6R0.6 NCCOCCN 75301 [0,0,0,0,0,0|3,0,0]=3 51 B6R0.6 NCCOCCO C70233 [0,0,0,0,0,0|2,0,0]=2 52 B6R0.6 NCCSCCN FD10524 [0,0,0,0,0,0|3,0,0]=3 53 B6R0.6 O=C=NCCCCl D89529 [0,0,0,0,0,0|2,0,2]=4 54 B6R0.6 O=CCCCCCl C10094 [0,0,0,0,0,0|1,0,2]=3 55 B6R0.6 O=CCCCCO F19841 [0,0,0,0,0,0|1,0,1]=2 56 B6R0.6 OCCCCCBr 23140 [0,0,0,0,0,0|1,0,0]=1 57 B6R0.6 OCCCCCCl O11412 [0,0,0,0,0,0|1,0,0]=1 58 B6R0.6 OCCNCCCl F50591 [0,0,0,0,0,0|2,0,0]=2 59 B6R0.6 OCCNCCO D92250 [0,0,0,0,0,0|2,0,0]=2 60 B6R0.6 OCCOCCBr S10705 [0,0,0,0,0,0|2,0,0]=2 61 B6R0.6 OCCOCCCl D72518 [0,0,0,0,0,0|2,0,0]=2 62 B6R0.6 SCCCCCS D92137 [0,0,0,0,0,0|1,1,0]=2 63 B6R0.6 SCCSCCS D91485 [0,0,0,0,0,0|2,1,0]=3 64 B5R0.2 BrCCCCBr D77910 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.2 C#CCCCC 75209 [1,0,0,0,0,0|0,0,2]=3 66 B5R0.2 C#CCCCCl 76259 [1,0,0,0,0,0|1,0,2]=4 67 B5R0.2 C#CCCCO 32105 [1,0,0,0,0,0|0,0,2]=3 68 B5R0.2 C=CCCCBr 78391 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.2 C=CCCCCl O11411 [1,0,0,0,0,0|1,0,2]=4 70 B5R0.2 C=CCCCN 68255 [1,0,0,0,0,0|1,0,2]=4 71 B5R0.2 C=CCCCN 86153 [1,0,0,0,0,0|1,0,2]=4 72 B5R0.2 C=CCCCO 76184 [1,0,0,0,0,0|0,0,2]=3 73 B5R0.2 C=COCCO D78209 [1,0,0,0,0,0|1,0,2]=4 74 B5R0.2 CCC#CCO F19221 [1,0,0,0,0,0|0,0,2]=3 75 B5R0.2 CCCCNN F17594 [1,0,0,0,0,0|2,0,0]=3 76 B5R0.2 CCCCON H11431 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.2 CCCNCC F21346 [1,0,0,0,0,0|1,0,0]=2 78 B5R0.2 CCNCCN AB11316 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.2 CCNCCO 20098 [1,0,0,0,0,0|1,0,0]=2 80 B5R0.2 CCOCCCl 29431 [1,0,0,0,0,0|2,0,0]=3 81 B5R0.2 CCSCCCl D89330 [1,0,0,0,0,0|2,0,0]=3 82 B5R0.2 CCSSCC D89662 [1,0,0,0,0,0|2,0,0]=3 83 B5R0.2 CNCCC#N 75878 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.2 CNCCCCl F16501 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.2 CNCCCN 37144 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.2 CNCCCO 36133 [1,0,0,0,0,0|1,0,0]=2 87 B5R0.2 CNCCNC 39416 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.2 CNCCOC D70346 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.2 CNCCSC AC2521 [1,0,0,0,0,0|2,0,0]=3 90 B5R0.2 COCCC#N D71223 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.2 COCCCBr F11235 [1,0,0,0,0,0|2,0,0]=3 92 B5R0.2 COCCCCl H11766 [1,0,0,0,0,0|2,0,0]=3 93 B5R0.2 COCCCN D81053 [1,0,0,0,0,0|2,0,0]=3 94 B5R0.2 COCCNN 72234 [1,0,0,0,0,0|3,0,0]=4 95 B5R0.2 COCCOC D81126 [1,0,0,0,0,0|2,0,0]=3 96 B5R0.2 COCCOC D83907 [1,0,0,0,0,0|2,0,0]=3 97 B5R0.2 COCCOC F16635 [1,0,0,0,0,0|2,0,0]=3 98 B5R0.2 COCCON D82747 [1,0,0,0,0,0|3,0,0]=4 99 B5R0.2 CSCCCO 79218 [1,0,0,0,0,0|1,0,0]=2 100 B5R0.2 CSCCC[NH3+] D91382 [1,0,0,0,0,0|2,0,0]=3 101 B5R0.2 C\C=C/CCC D90857 [1,0,0,0,0,0|0,0,2]=3 102 B5R0.2 ClCCCCBr F11271 [1,0,0,0,0,0|2,0,0]=3 103 B5R0.2 ClCCCCI A10998 [1,0,0,0,0,0|2,0,0]=3 104 B5R0.2 ClCCOCCl 29087 [1,0,0,0,0,0|3,0,0]=4 105 B5R0.2 FCCCCBr D87758 [1,0,0,0,0,0|2,0,0]=3 106 B5R0.2 ICCCCI AC1274 [1,0,0,0,0,0|2,0,0]=3 107 B5R0.2 N#CCCCBr 35256 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.2 N#CCCCCl 20443 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.2 NCCCCBr 24475 [1,0,0,0,0,0|2,0,0]=3 110 B5R0.2 NCCCCN F17678 [1,0,0,0,0,0|2,0,0]=3 111 B5R0.2 NCCCCN N11902 [1,0,0,0,0,0|2,0,0]=3 112 B5R0.2 NCCCCO 51530 [1,0,0,0,0,0|1,0,0]=2 113 B5R0.2 OCCCCBr 54526 [1,0,0,0,0,0|1,0,0]=2 114 B5R0.2 OCCCCCl F11085 [1,0,0,0,0,0|1,0,0]=2 115 B5R0.2 OCCCCI D81265 [1,0,0,0,0,0|1,0,0]=2 116 B5R0.2 OCCNCO D91013 [1,0,0,0,0,0|2,0,0]=3 117 B5R0.2 OC\C=C/CO D70059 [1,0,0,0,0,0|1,0,2]=4 118 B5R0.2 OC\C=C\CO 70835 [1,0,0,0,0,0|1,0,2]=4 119 B5R0.2 [N-]=[N+]=NCCO A12080 [1,0,0,0,0,0|3,0,0]=4 120 B7R0.1 BrCCCCCCBr D77996 [0,1,0,0,0,0|1,0,0]=2 121 B7R0.1 C#CCCCCCO 35608 [0,1,0,0,0,0|0,0,1]=2 122 B7R0.1 C#CCOCCOC W13675 [0,1,0,0,0,0|1,0,2]=4 123 B7R0.1 C=CCCCCC=C F19559 [0,1,0,0,0,0|1,0,2]=4 124 B7R0.1 C=CCCCCCBr 34943 [0,1,0,0,0,0|1,0,1]=3 125 B7R0.1 C=CCCCCNC C75624 [0,1,0,0,0,0|1,0,1]=3 126 B7R0.1 C=CCOCCCC D88441 [0,1,0,0,0,0|1,0,1]=3 127 B7R0.1 CCCCCCCBr D78084 [0,1,0,0,0,0|1,0,0]=2 128 B7R0.1 CCCCCCCI D70828 [0,1,0,0,0,0|1,0,0]=2 129 B7R0.1 CCCCCCCS D90781 [0,1,0,0,0,0|0,1,0]=2 130 B7R0.1 CCCCOCCCl D89363 [0,1,0,0,0,0|1,0,0]=2 131 B7R0.1 CCCC\C=C\C=O 39424 [0,1,0,0,0,0|0,0,3]=4 132 B7R0.1 CNCCCCNC 29857 [0,1,0,0,0,0|2,0,0]=3 133 B7R0.1 COCCOCCBr AC1298 [0,1,0,0,0,0|2,0,0]=3 134 B7R0.1 COCCOCCN F19842 [0,1,0,0,0,0|2,0,0]=3 135 B7R0.1 COCCOCCO D78002 [0,1,0,0,0,0|1,0,0]=2 136 B7R0.1 COCOCCC#N 32633 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.1 CSCCCN=C=S D91571 [0,1,0,0,0,0|1,1,1]=4 138 B7R0.1 ClCCCCCCBr AC1307 [0,1,0,0,0,0|1,0,0]=2 139 B7R0.1 ClCCCCCCI O10399 [0,1,0,0,0,0|1,0,0]=2 140 B7R0.1 ICCCCCCI D78160 [0,1,0,0,0,0|1,0,0]=2 141 B7R0.1 N#CCCCCCBr 76351 [0,1,0,0,0,0|1,0,1]=3 142 B7R0.1 N#CCCCCCN D92992 [0,1,0,0,0,0|1,0,1]=3 143 B7R0.1 NCCCCCCN H11757 [0,1,0,0,0,0|1,0,0]=2 144 B7R0.1 NCCCCCCO 74060 [0,1,0,0,0,0|0,0,0]=1 145 B7R0.1 NCCCNCCBr 37146 [0,1,0,0,0,0|2,0,0]=3 146 B7R0.1 NCCCNCCO 37148 [0,1,0,0,0,0|1,0,0]=2 147 B7R0.1 NCCNCCCO H11394 [0,1,0,0,0,0|1,0,0]=2 148 B7R0.1 NCCSSCCN 28637 [0,1,0,0,0,0|3,0,0]=4 149 B7R0.1 NCC[Se][Se]CCN H10234 [0,1,0,0,0,0|3,0,0]=4 150 B7R0.1 OCCCCCCBr 34408 [0,1,0,0,0,0|0,0,0]=1 151 B7R0.1 OCCCCCCCl D70146 [0,1,0,0,0,0|0,0,0]=1 152 B7R0.1 OCCCCCCS N11988 [0,1,0,0,0,0|0,0,0]=1 153 B7R0.1 SCCCCCCS D90840 [0,1,0,0,0,0|0,1,0]=2 154 B7R0.3 C#C[C@@H](O)CCCC D90876 [0,1,0,0,0,0|1,0,1]=3 155 B7R0.3 C=CCC[C@H](Br)CBr T70912 [0,1,0,0,0,0|1,0,2]=4 156 B7R0.3 CCCCC(=O)CC D90783 [0,1,0,0,0,0|1,0,1]=3 157 B7R0.3 CCCCC(=O)NN 74164 [0,1,0,0,0,0|2,0,1]=4 158 B7R0.3 CCCC[C@H](Br)CBr D93164 [0,1,0,0,0,0|1,0,0]=2 159 B7R0.3 CCCC[C@H](N)CO A11352 [0,1,0,0,0,0|0,0,0]=1 160 B7R0.3 CCCC[C@H](N)CO N12322 [0,1,0,0,0,0|0,0,0]=1 161 B7R0.3 CCCC[C@H](O)CO F11270 [0,1,0,0,0,0|0,0,0]=1 162 B7R0.3 CCOC[C@@H](O)CO H11846 [0,1,0,0,0,0|1,0,0]=2 163 B7R0.3 COC(=O)CCCBr S11981 [0,1,0,0,0,0|2,0,1]=4 164 B7R0.3 COC(=O)CCCCl 28856 [0,1,0,0,0,0|2,0,1]=4 165 B7R0.3 COC(=O)CCCN 64233 [0,1,0,0,0,0|2,0,1]=4 166 B7R0.3 CSCC[C@H](N)CO T72236 [0,1,0,0,0,0|1,0,0]=2 167 B7R0.3 OCCC[C@H](O)CO T71793 [0,1,0,0,0,0|1,0,0]=2 168 B7R0.4 C#CCCCC(=O)O F14123 [0,1,0,0,0,0|0,0,3]=4 169 B7R0.4 C#CCOC[C@H](C)O D78242 [0,1,0,0,0,0|1,0,2]=4 170 B7R0.4 C=CCCCB(O)O I12040 [0,1,0,0,0,0|1,0,2]=4 171 B7R0.4 C=CCCCC(=O)O D86337 [0,1,0,0,0,0|0,0,3]=4 172 B7R0.4 CC(=O)CCCC#N D91224 [0,1,0,0,0,0|1,0,2]=4 173 B7R0.4 CC(=O)CCCCCl D89394 [0,1,0,0,0,0|1,0,1]=3 174 B7R0.4 CC(=O)OCCCCl 22019 [0,1,0,0,0,0|2,0,1]=4 175 B7R0.4 CC(=O)SCCCO D86667 [0,1,0,0,0,0|1,0,1]=3 176 B7R0.4 CC(C)CCCCO D94723 [0,1,0,0,0,0|0,0,0]=1 177 B7R0.4 CC(C)NCCCO H11834 [0,1,0,0,0,0|1,0,0]=2 178 B7R0.4 CCCCCB(O)O 33673 [0,1,0,0,0,0|1,0,0]=2 179 B7R0.4 CCCCCC(=O)[O-] D82015 [0,1,0,0,0,0|0,0,2]=3 180 B7R0.4 CCCCCC(N)=O D89187 [0,1,0,0,0,0|0,0,2]=3 181 B7R0.4 CCCCC[C@H](C)N D90921 [0,1,0,0,0,0|1,0,0]=2 182 B7R0.4 CCCCC[C@H](C)O D83253 [0,1,0,0,0,0|0,0,0]=1 183 B7R0.4 CCCCNC(N)=O D88864 [0,1,0,0,0,0|1,0,2]=4 184 B7R0.4 CCCCNC(N)=S T70321 [0,1,0,0,0,0|1,1,1]=4 185 B7R0.4 CCCCOC(=S)[S-] D82014 [0,1,0,0,0,0|1,1,1]=4 186 B7R0.4 CCCCOC(C)C D93400 [0,1,0,0,0,0|2,0,0]=3 187 B7R0.4 CCCCOC(N)=O D89279 [0,1,0,0,0,0|1,0,2]=4 188 B7R0.4 CCCCSC(C)=O 79049 [0,1,0,0,0,0|1,0,2]=4 189 B7R0.4 CCC\C=C\C(=O)O C10700 [0,1,0,0,0,0|0,0,3]=4 190 B7R0.4 CC\C=C\CC(=O)O D82088 [0,1,0,0,0,0|0,0,3]=4 191 B7R0.4 CN(C)CCCC#N AC1843 [0,1,0,0,0,0|2,0,1]=4 192 B7R0.4 CN(C)CCCCN 76925 [0,1,0,0,0,0|2,0,0]=3 193 B7R0.4 CNCCCC(=O)O 20515 [0,1,0,0,0,0|1,0,1]=3 194 B7R0.4 CNCCCC(=O)O AB7427 [0,1,0,0,0,0|1,0,1]=3 195 B7R0.4 CNCCCN(C)C D94649 [0,1,0,0,0,0|3,0,0]=4 196 B7R0.4 C[C@H](O)CNCCN D90833 [0,1,0,0,0,0|2,0,0]=3 197 B7R0.4 C[C@H](O)CNCCO C13406 [0,1,0,0,0,0|1,0,0]=2 198 B7R0.4 N#CCCCC(=O)O RB3314 [0,1,0,0,0,0|1,0,2]=4 199 B7R0.4 NCCCCC(=O)O 76219 [0,1,0,0,0,0|1,0,1]=3 200 B7R0.4 NCCCCC(=O)O D78140 [0,1,0,0,0,0|1,0,1]=3 201 B7R0.4 NCCOCC(=O)O AT23391 [0,1,0,0,0,0|2,0,1]=4 202 B7R0.4 O=C(Cl)CCCCBr H11319 [0,1,0,0,0,0|1,0,2]=4 203 B7R0.4 O=C(Cl)CCCCCl D89459 [0,1,0,0,0,0|1,0,2]=4 204 B7R0.4 O=C(O)CCCCBr 76255 [0,1,0,0,0,0|1,0,1]=3 205 B7R0.4 O=C(O)CCCCCl C10667 [0,1,0,0,0,0|1,0,1]=3 206 B7R0.4 O=C(O)CNCCO AB10154 [0,1,0,0,0,0|2,0,1]=4 207 B7R0.4 O=C(O)COCCCl 29961 [0,1,0,0,0,0|2,0,1]=4 208 B7R0.4 O=C([O-])CCCCO F13839 [0,1,0,0,0,0|1,0,1]=3 209 B7R0.7 C=CCN(C)CCO D83705 [0,1,0,0,0,0|1,0,2]=4 210 B7R0.7 CCCC(=O)OCCl F20378 [0,1,0,0,0,0|2,0,1]=4 211 B7R0.7 CCCC(N)CCC 28065 [0,1,0,0,0,0|1,0,0]=2 212 B7R0.7 CCCC(O)CCC H10221 [0,1,0,0,0,0|1,0,0]=2 213 B7R0.7 CCCN(C)CCC D95729 [0,1,0,0,0,0|2,0,0]=3 214 B7R0.7 CCC[C@H](C)CCO T71716 [0,1,0,0,0,0|0,0,0]=1 215 B7R0.7 CCC[C@H](S)CCO D84193 [0,1,0,0,0,0|0,0,0]=1 216 B7R0.7 CCOC(=O)CCBr F11254 [0,1,0,0,0,0|2,0,1]=4 217 B7R0.7 CCOC(=O)CCCl D89381 [0,1,0,0,0,0|2,0,1]=4 218 B7R0.7 CCOC(=O)CCI 23721 [0,1,0,0,0,0|2,0,1]=4 219 B7R0.7 CCOC(=O)CCN AC7506 [0,1,0,0,0,0|2,0,1]=4 220 B7R0.7 CCOC(=O)CCO 30936 [0,1,0,0,0,0|1,0,1]=3 221 B7R0.7 CCOC(=O)CCS D87716 [0,1,0,0,0,0|1,1,1]=4 222 B7R0.7 CN(CCCl)CCCl F11444 [0,1,0,0,0,0|3,0,0]=4 223 B7R0.7 CN(CCN)CCN E10179 [0,1,0,0,0,0|3,0,0]=4 224 B7R0.7 COCC(N)COC 25069 [0,1,0,0,0,0|3,0,0]=4 225 B7R0.7 COCC(O)COC 20633 [0,1,0,0,0,0|3,0,0]=4 226 B7R0.7 O=C(CCCl)CCCl 35039 [0,1,0,0,0,0|2,0,1]=4 227 B7R1.1 BrCC1CCCC1 54494 [0,0,0,1,0,0|1,0,0]=2 228 B7R1.1 BrCC1OCCO1 O10502 [0,0,0,1,0,0|2,0,0]=3 229 B7R1.1 BrC[C@H]1CCCO1 P10030 [0,0,0,1,0,0|1,0,0]=2 230 B7R1.1 C#CC1CCCC1 F16298 [0,0,0,1,0,0|1,0,1]=3 231 B7R1.1 CCN1CCCC1 F17079 [0,0,0,1,0,0|2,0,0]=3 232 B7R1.1 CNC1CCCC1 F20064 [0,0,0,1,0,0|2,0,0]=3 233 B7R1.1 CN[C@H]1CCNC1 22848 [0,0,0,1,0,0|3,0,0]=4 234 B7R1.1 CN[C@H]1CCNC1 71156 [0,0,0,1,0,0|3,0,0]=4 235 B7R1.1 CN[C@H]1CCOC1 P10528 [0,0,0,1,0,0|3,0,0]=4 236 B7R1.1 CN[C@H]1CCOC1 P10858 [0,0,0,1,0,0|3,0,0]=4 237 B7R1.1 COC1=NCCC1 O11464 [0,0,0,1,0,0|2,0,1]=4 238 B7R1.1 COC1OCCO1 D78408 [0,0,0,1,0,0|2,0,0]=3 239 B7R1.1 CO[C@H]1CCNC1 27715 [0,0,0,1,0,0|3,0,0]=4 240 B7R1.1 CO[C@H]1CCNC1 63946 [0,0,0,1,0,0|3,0,0]=4 241 B7R1.1 CO[C@H]1CCNC1 63947 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.1 CO[C@H]1CCNC1 P10861 [0,0,0,1,0,0|3,0,0]=4 243 B7R1.1 ClCC1OCCO1 H10733 [0,0,0,1,0,0|2,0,0]=3 244 B7R1.1 ClC[C@H]1CCCO1 D78464 [0,0,0,1,0,0|1,0,0]=2 245 B7R1.1 ICC1CCCC1 53338 [0,0,0,1,0,0|1,0,0]=2 246 B7R1.1 IC[C@H]1CCOC1 P10359 [0,0,0,1,0,0|2,0,0]=3 247 B7R1.1 N#CC1CCCC1 35375 [0,0,0,1,0,0|1,0,1]=3 248 B7R1.1 N#CN1CCCC1 T71834 [0,0,0,1,0,0|2,0,1]=4 249 B7R1.1 N#C[C@@H]1CCCN1 37677 [0,0,0,1,0,0|2,0,1]=4 250 B7R1.1 N#C[C@@H]1CCCN1 37679 [0,0,0,1,0,0|2,0,1]=4 251 B7R1.1 N#C[C@H]1CCOC1 71748 [0,0,0,1,0,0|2,0,1]=4 252 B7R1.1 NCC1CCCC1 52183 [0,0,0,1,0,0|1,0,0]=2 253 B7R1.1 NCC1OCCO1 F50673 [0,0,0,1,0,0|2,0,0]=3 254 B7R1.1 NC[C@H]1CCCN1 36336 [0,0,0,1,0,0|2,0,0]=3 255 B7R1.1 NC[C@H]1CCCN1 38156 [0,0,0,1,0,0|2,0,0]=3 256 B7R1.1 NC[C@H]1CCOC1 37315 [0,0,0,1,0,0|2,0,0]=3 257 B7R1.1 NC[C@H]1CCOC1 SC2551 [0,0,0,1,0,0|2,0,0]=3 258 B7R1.1 NNC1CCCC1 AB1370 [0,0,0,1,0,0|2,0,0]=3 259 B7R1.1 O=CC1CCCC1 H11353 [0,0,0,1,0,0|0,0,2]=3 260 B7R1.1 O=CN1CCCC1 D83491 [0,0,0,1,0,0|1,0,2]=4 261 B7R1.1 O=C[C@H]1CCOC1 I10170 [0,0,0,1,0,0|1,0,2]=4 262 B7R1.1 O=NN1CCCC1 D82025 [0,0,0,1,0,0|2,0,1]=4 263 B7R1.1 OCC1CC=CC1 23897 [0,0,0,1,0,0|0,0,2]=3 264 B7R1.1 OCC1CCCC1 23321 [0,0,0,1,0,0|0,0,0]=1 265 B7R1.1 OCC1OCCO1 I11345 [0,0,0,1,0,0|2,0,0]=3 266 B7R1.1 OC[C@H]1CCCN1 11146 [0,0,0,1,0,0|1,0,0]=2 267 B7R1.1 OC[C@H]1CCCN1 11148 [0,0,0,1,0,0|1,0,0]=2 268 B7R1.1 OC[C@H]1CCCN1 F10903 [0,0,0,1,0,0|1,0,0]=2 269 B7R1.1 OC[C@H]1CCCO1 D77646 [0,0,0,1,0,0|1,0,0]=2 270 B7R1.1 OC[C@H]1CCCO1 W18447 [0,0,0,1,0,0|1,0,0]=2 271 B7R1.1 OC[C@H]1CCNC1 25702 [0,0,0,1,0,0|1,0,0]=2 272 B7R1.1 OC[C@H]1CCNC1 62385 [0,0,0,1,0,0|1,0,0]=2 273 B7R1.1 OC[C@H]1CCNC1 62386 [0,0,0,1,0,0|1,0,0]=2 274 B7R1.1 OC[C@H]1CCNC1 62387 [0,0,0,1,0,0|1,0,0]=2 275 B7R1.1 OC[C@H]1CCOC1 83670 [0,0,0,1,0,0|1,0,0]=2 276 B7R1.1 OC[C@H]1COCO1 D70284 [0,0,0,1,0,0|2,0,0]=3 277 B7R1.1 ON=C1CCCC1 FD9020 [0,0,0,1,0,0|1,0,1]=3 278 B7R1.3 BrC1=CCCCC1 N12373 [0,0,0,1,0,0|1,0,2]=4 279 B7R1.3 BrC1CCCCC1 P19773 [0,0,0,1,0,0|1,0,0]=2 280 B7R1.3 BrC1CCNCC1 CL3102 [0,0,0,1,0,0|2,0,0]=3 281 B7R1.3 BrC1CCOCC1 34656 [0,0,0,1,0,0|2,0,0]=3 282 B7R1.3 Br[C@@H]1C=CCCC1 25070 [0,0,0,1,0,0|1,0,2]=4 283 B7R1.3 Br[C@H]1CCCNC1 P16558 [0,0,0,1,0,0|2,0,0]=3 284 B7R1.3 Br[C@H]1CCCOC1 26576 [0,0,0,1,0,0|2,0,0]=3 285 B7R1.3 CC1=CCCCC1 H10759 [0,0,0,1,0,0|1,0,1]=3 286 B7R1.3 CC1=CCCNC1 39250 [0,0,0,1,0,0|2,0,1]=4 287 B7R1.3 CC1=CCNCC1 39249 [0,0,0,1,0,0|2,0,1]=4 288 B7R1.3 CC1SCCCS1 D75611 [0,0,0,1,0,0|1,1,0]=3 289 B7R1.3 CN1CCNCC1 D70771 [0,0,0,1,0,0|3,0,0]=4 290 B7R1.3 CN1CCOCC1 AB7556 [0,0,0,1,0,0|3,0,0]=4 291 B7R1.3 C[C@H]1CCCCN1 64251 [0,0,0,1,0,0|1,0,0]=2 292 B7R1.3 C[C@H]1CCCCN1 64253 [0,0,0,1,0,0|1,0,0]=2 293 B7R1.3 C[C@H]1CCCNC1 79119 [0,0,0,1,0,0|2,0,0]=3 294 B7R1.3 C[C@H]1CCCNC1 N10739 [0,0,0,1,0,0|2,0,0]=3 295 B7R1.3 C[C@H]1CNCCN1 29363 [0,0,0,1,0,0|2,0,0]=3 296 B7R1.3 C[C@H]1CNCCN1 29364 [0,0,0,1,0,0|2,0,0]=3 297 B7R1.3 C[C@H]1CNCCN1 29365 [0,0,0,1,0,0|2,0,0]=3 298 B7R1.3 C[C@H]1CNCCN1 29366 [0,0,0,1,0,0|2,0,0]=3 299 B7R1.3 C[C@H]1CNCCO1 27675 [0,0,0,1,0,0|1,0,0]=2 300 B7R1.3 C[C@H]1CNCCO1 F13092 [0,0,0,1,0,0|1,0,0]=2 301 B7R1.3 C[C@H]1COCCN1 24436 [0,0,0,1,0,0|2,0,0]=3 302 B7R1.3 C[C@H]1COCCN1 25281 [0,0,0,1,0,0|2,0,0]=3 303 B7R1.3 C[C@H]1COCCN1 36208 [0,0,0,1,0,0|2,0,0]=3 304 B7R1.3 C[C@H]1COCCN1 39286 [0,0,0,1,0,0|2,0,0]=3 305 B7R1.3 C[C@H]1COCCN1 63476 [0,0,0,1,0,0|2,0,0]=3 306 B7R1.3 ClC1CCNCC1 57750 [0,0,0,1,0,0|2,0,0]=3 307 B7R1.3 ClC1CCOCC1 F17652 [0,0,0,1,0,0|2,0,0]=3 308 B7R1.3 FC1CCNCC1 37042 [0,0,0,1,0,0|2,0,0]=3 309 B7R1.3 FC1CCNCC1 I11481 [0,0,0,1,0,0|2,0,0]=3 310 B7R1.3 F[C@H]1CCCNC1 37083 [0,0,0,1,0,0|2,0,0]=3 311 B7R1.3 IC1CCCCC1 F20359 [0,0,0,1,0,0|1,0,0]=2 312 B7R1.3 IC1CCOCC1 25900 [0,0,0,1,0,0|2,0,0]=3 313 B7R1.3 NC1CCNCC1 66081 [0,0,0,1,0,0|2,0,0]=3 314 B7R1.3 NC1CCNCC1 66087 [0,0,0,1,0,0|2,0,0]=3 315 B7R1.3 NC1CCOCC1 66544 [0,0,0,1,0,0|2,0,0]=3 316 B7R1.3 NC1CCOCC1 83442 [0,0,0,1,0,0|2,0,0]=3 317 B7R1.3 NC1CCOCC1 D95622 [0,0,0,1,0,0|2,0,0]=3 318 B7R1.3 NC1CCSCC1 F15695 [0,0,0,1,0,0|2,0,0]=3 319 B7R1.3 NC1CCSCC1 SC1591 [0,0,0,1,0,0|2,0,0]=3 320 B7R1.3 NN1CCCCC1 77856 [0,0,0,1,0,0|2,0,0]=3 321 B7R1.3 NN1CCCCC1 78303 [0,0,0,1,0,0|2,0,0]=3 322 B7R1.3 NN1CCOCC1 28683 [0,0,0,1,0,0|3,0,0]=4 323 B7R1.3 N[C@H]1CCCNC1 51800 [0,0,0,1,0,0|2,0,0]=3 324 B7R1.3 N[C@H]1CCCNC1 51802 [0,0,0,1,0,0|2,0,0]=3 325 B7R1.3 N[C@H]1CCCNC1 51816 [0,0,0,1,0,0|2,0,0]=3 326 B7R1.3 N[C@H]1CCCNC1 D77676 [0,0,0,1,0,0|2,0,0]=3 327 B7R1.3 N[C@H]1CCCOC1 53314 [0,0,0,1,0,0|2,0,0]=3 328 B7R1.3 N[C@H]1CCCOC1 69737 [0,0,0,1,0,0|2,0,0]=3 329 B7R1.3 N[C@H]1CCCOC1 P10539 [0,0,0,1,0,0|2,0,0]=3 330 B7R1.3 O=C1CCCCN1 F10312 [0,0,0,1,0,0|1,0,2]=4 331 B7R1.3 O=C1CCCCO1 20506 [0,0,0,1,0,0|1,0,1]=3 332 B7R1.3 O=C1CCCNC1 36189 [0,0,0,1,0,0|1,0,2]=4 333 B7R1.3 O=C1CCCNC1 65124 [0,0,0,1,0,0|1,0,2]=4 334 B7R1.3 O=C1CCCOC1 67990 [0,0,0,1,0,0|1,0,2]=4 335 B7R1.3 O=C1CCCSC1 38182 [0,0,0,1,0,0|1,0,2]=4 336 B7R1.3 O=C1CCNCC1 AB2978 [0,0,0,1,0,0|1,0,2]=4 337 B7R1.3 O=C1CCNCC1 AB7716 [0,0,0,1,0,0|1,0,2]=4 338 B7R1.3 O=C1CCOCC1 28100 [0,0,0,1,0,0|1,0,2]=4 339 B7R1.3 O=C1CCSCC1 34742 [0,0,0,1,0,0|1,0,2]=4 340 B7R1.3 O=C1COCCO1 39291 [0,0,0,1,0,0|2,0,1]=4 341 B7R1.3 O=C1NCCCO1 30441 [0,0,0,1,0,0|2,0,1]=4 342 B7R1.3 O=C1OCCCO1 F20507 [0,0,0,1,0,0|2,0,1]=4 343 B7R1.3 O=S1CCNCC1 C10519 [0,0,0,1,0,0|2,0,1]=4 344 B7R1.3 O=S1OCCCO1 D90284 [0,0,0,1,0,0|3,0,0]=4 345 B7R1.3 OC1CCNCC1 34448 [0,0,0,1,0,0|1,0,0]=2 346 B7R1.3 OC1CCNCC1 67739 [0,0,0,1,0,0|1,0,0]=2 347 B7R1.3 OC1CCOCC1 67293 [0,0,0,1,0,0|1,0,0]=2 348 B7R1.3 OC1CCSCC1 25187 [0,0,0,1,0,0|1,0,0]=2 349 B7R1.3 OC1COCOC1 C10654 [0,0,0,1,0,0|2,0,0]=3 350 B7R1.3 ON1CCCCC1 65654 [0,0,0,1,0,0|1,0,0]=2 351 B7R1.3 O[C@@H]1C=CCCC1 59596 [0,0,0,1,0,0|0,0,2]=3 352 B7R1.3 O[C@@H]1CC=CCC1 D83542 [0,0,0,1,0,0|0,0,2]=3 353 B7R1.3 O[C@@H]1CCCCO1 F19855 [0,0,0,1,0,0|1,0,0]=2 354 B7R1.3 O[C@H]1CCCNC1 29155 [0,0,0,1,0,0|1,0,0]=2 355 B7R1.3 O[C@H]1CCCNC1 29156 [0,0,0,1,0,0|1,0,0]=2 356 B7R1.3 O[C@H]1CCCNC1 29157 [0,0,0,1,0,0|1,0,0]=2 357 B7R1.3 O[C@H]1CCCNC1 37164 [0,0,0,1,0,0|1,0,0]=2 358 B7R1.3 O[C@H]1CCCNC1 67738 [0,0,0,1,0,0|1,0,0]=2 359 B7R1.3 O[C@H]1CCCNC1 P10773 [0,0,0,1,0,0|1,0,0]=2 360 B7R1.3 O[C@H]1CCCOC1 25828 [0,0,0,1,0,0|1,0,0]=2 361 B7R1.4 CC1OCCC1S AT13652 [0,0,0,1,0,0|1,1,0]=3 362 B7R1.4 CN1CCCC1=O D78116 [0,0,0,1,0,0|1,0,2]=4 363 B7R1.4 CN1CCCC1=S F16372 [0,0,0,1,0,0|1,1,1]=4 364 B7R1.4 C[C@@H]1OCCC1=O O10840 [0,0,0,1,0,0|1,0,2]=4 365 B7R1.4 C[C@@H]1SCCC1=O AC7518 [0,0,0,1,0,0|1,0,2]=4 366 B7R1.4 C[C@H]1CCCC1=O 29606 [0,0,0,1,0,0|0,0,2]=3 367 B7R1.4 C[C@H]1CCOC1=O D70164 [0,0,0,1,0,0|1,0,2]=4 368 B7R1.4 NC1CCCC1O 25425 [0,0,0,1,0,0|1,0,0]=2 369 B7R1.4 N[C@@H]1CCC[C@@H]1O 26214 [0,0,0,1,0,0|1,0,0]=2 370 B7R1.4 N[C@@H]1CCC[C@@H]1O 35677 [0,0,0,1,0,0|1,0,0]=2 371 B7R1.4 N[C@@H]1CCC[C@@H]1O P18490 [0,0,0,1,0,0|1,0,0]=2 372 B7R1.4 N[C@H]1CCC[C@@H]1O 28945 [0,0,0,1,0,0|1,0,0]=2 373 B7R1.4 N[C@H]1CCC[C@@H]1O 34523 [0,0,0,1,0,0|1,0,0]=2 374 B7R1.4 N[C@H]1CCC[C@@H]1O P15627 [0,0,0,1,0,0|1,0,0]=2 375 B7R1.4 N[C@H]1COC[C@@H]1O 72165 [0,0,0,1,0,0|2,0,0]=3 376 B7R1.4 O=C1CCC[C@@H]1Cl F10995 [0,0,0,1,0,0|1,0,2]=4 377 B7R1.4 O=C1NCC[C@@H]1O 25307 [0,0,0,1,0,0|2,0,1]=4 378 B7R1.4 O=C1NCC[C@@H]1O 27245 [0,0,0,1,0,0|2,0,1]=4 379 B7R1.4 O=C1NCC[C@@H]1O 68731 [0,0,0,1,0,0|2,0,1]=4 380 B7R1.4 O=C1OCC[C@@H]1O A12215 [0,0,0,1,0,0|2,0,1]=4 381 B7R1.4 O=C1OCC[C@@H]1O T72635 [0,0,0,1,0,0|2,0,1]=4 382 B7R1.4 OC1CCCC1O 31469 [0,0,0,1,0,0|1,0,0]=2 383 B7R1.4 O[C@H]1CCC[C@@H]1Cl AC7912 [0,0,0,1,0,0|1,0,0]=2 384 B7R1.4 O[C@H]1CCC[C@@H]1O AC7934 [0,0,0,1,0,0|1,0,0]=2 385 B7R1.4 O[C@H]1CNC[C@@H]1F 72841 [0,0,0,1,0,0|2,0,0]=3 386 B7R1.4 O[C@H]1CNC[C@@H]1O 27317 [0,0,0,1,0,0|2,0,0]=3 387 B7R1.4 O[C@H]1CNC[C@@H]1O 38821 [0,0,0,1,0,0|2,0,0]=3 388 B7R1.4 O[C@H]1CNC[C@H]1O 38822 [0,0,0,1,0,0|2,0,0]=3 389 B7R1.4 O[C@H]1COC[C@@H]1O 53260 [0,0,0,1,0,0|2,0,0]=3 390 B7R1.6 CCOC1CNC1 25335 [0,0,0,1,0,0|3,0,0]=4 391 B7R1.6 COC[C@H]1CCN1 P13481 [0,0,0,1,0,0|2,0,0]=3 392 B7R1.6 COC[C@H]1CCN1 P14494 [0,0,0,1,0,0|2,0,0]=3 393 B7R1.6 N#CCN1CCC1 D79160 [0,0,0,1,0,0|2,0,1]=4 394 B7R1.6 NCCN1CCC1 P15319 [0,0,0,1,0,0|2,0,0]=3 395 B7R1.6 NNCC1CCC1 D93648 [0,0,0,1,0,0|2,0,0]=3 396 B7R1.7 C=CCC[C@H]1CO1 F17137 [0,0,0,1,0,0|0,0,2]=3 397 B7R1.7 CCNCC1CC1 F14236 [0,0,0,1,0,0|2,0,0]=3 398 B7R1.7 OCC#CC1CC1 78487 [0,0,0,1,0,0|0,0,2]=3 399 B7R1.24 C1CNCCNC1 F10906 [0,0,0,1,0,0|2,0,0]=3 400 B7R1.24 C1CNCCOC1 31105 [0,0,0,1,0,0|1,0,0]=2 401 B4R0.2 C#CCCO 24606 [2,0,0,0,0,0|0,0,2]=4 402 B4R0.2 C=CCCC FD10489 [2,0,0,0,0,0|0,0,2]=4 403 B4R0.2 C=CCCO P16638 [2,0,0,0,0,0|0,0,2]=4 404 B4R0.2 CC#CCO 75486 [2,0,0,0,0,0|0,0,2]=4 405 B4R0.2 CCCNC A10770 [2,0,0,0,0,0|1,0,0]=3 406 B4R0.2 CCCNN C10870 [2,0,0,0,0,0|2,0,0]=4 407 B4R0.2 CCNCC D78025 [2,0,0,0,0,0|1,0,0]=3 408 B4R0.2 CCNCC D89842 [2,0,0,0,0,0|1,0,0]=3 409 B4R0.2 CCNCC D90318 [2,0,0,0,0,0|1,0,0]=3 410 B4R0.2 CCNOC D80678 [2,0,0,0,0,0|2,0,0]=4 411 B4R0.2 CCOCCl D89215 [2,0,0,0,0,0|2,0,0]=4 412 B4R0.2 CNCCBr F13405 [2,0,0,0,0,0|2,0,0]=4 413 B4R0.2 CNCCCl 71064 [2,0,0,0,0,0|2,0,0]=4 414 B4R0.2 CNCCN D76853 [2,0,0,0,0,0|2,0,0]=4 415 B4R0.2 CNCCN SC1801 [2,0,0,0,0,0|2,0,0]=4 416 B4R0.2 COCCBr P19803 [2,0,0,0,0,0|2,0,0]=4 417 B4R0.2 COCCN F14847 [2,0,0,0,0,0|2,0,0]=4 418 B4R0.2 CSCCBr 79497 [2,0,0,0,0,0|2,0,0]=4 419 B4R0.2 CSCCO 28828 [2,0,0,0,0,0|1,0,0]=3 420 B4R0.2 CSCSC D88765 [2,0,0,0,0,0|2,0,0]=4 421 B4R0.2 C\C=C/CC D91891 [2,0,0,0,0,0|0,0,2]=4 422 B4R0.2 ClCCCI AC1314 [2,0,0,0,0,0|2,0,0]=4 423 B4R0.2 FCCCI S11237 [2,0,0,0,0,0|2,0,0]=4 424 B4R0.2 ICCCI A10836 [2,0,0,0,0,0|2,0,0]=4 425 B4R0.2 N#CCCO D77638 [2,0,0,0,0,0|1,0,1]=4 426 B4R0.2 NCCCBr AC7868 [2,0,0,0,0,0|2,0,0]=4 427 B4R0.2 NCCCCl D70608 [2,0,0,0,0,0|2,0,0]=4 428 B4R0.2 NCCCO D77871 [2,0,0,0,0,0|1,0,0]=3 429 B4R0.2 NNCCO D77684 [2,0,0,0,0,0|2,0,0]=4 430 B4R0.2 NOCCO 32348 [2,0,0,0,0,0|2,0,0]=4 431 B4R0.2 OCCCBr 36754 [2,0,0,0,0,0|1,0,0]=3 432 B4R0.2 OCCCF 61100 [2,0,0,0,0,0|1,0,0]=3 433 B4R0.2 OCCCI 75858 [2,0,0,0,0,0|1,0,0]=3 434 B4R0.2 SCCCS F20376 [2,0,0,0,0,0|1,1,0]=4 435 B6R0.1 C=C[C@@H](O)CCC D90922 [1,1,0,0,0,0|0,0,2]=4 436 B6R0.1 CCCC(=O)CC D90801 [1,1,0,0,0,0|0,0,1]=3 437 B6R0.1 CCCC(=O)SC D91533 [1,1,0,0,0,0|1,0,1]=4 438 B6R0.1 CCC[C@@H](Cl)CC D76318 [1,1,0,0,0,0|0,0,0]=2 439 B6R0.1 CCC[C@H](C)CCl D89415 [1,1,0,0,0,0|1,0,0]=3 440 B6R0.1 CCC[C@H](N)CO A10468 [1,1,0,0,0,0|0,0,0]=2 441 B6R0.1 CCC[C@H](O)CO 73676 [1,1,0,0,0,0|0,0,0]=2 442 B6R0.1 CCOC(=N)CC W15737 [1,1,0,0,0,0|1,0,1]=4 443 B6R0.1 CCOC(=O)CO 39380 [1,1,0,0,0,0|1,0,1]=4 444 B6R0.1 CCO[C@@H](C)CC D88933 [1,1,0,0,0,0|1,0,0]=3 445 B6R0.1 CNC[C@H](O)CO CL4501 [1,1,0,0,0,0|1,0,0]=3 446 B6R0.1 COC(=O)CCO 29940 [1,1,0,0,0,0|1,0,1]=4 447 B6R0.1 COC[C@@H](O)CO H10736 [1,1,0,0,0,0|1,0,0]=3 448 B6R0.1 COC[C@H](O)CCl D84795 [1,1,0,0,0,0|2,0,0]=4 449 B6R0.1 CO[C@@H](C)CCO D77758 [1,1,0,0,0,0|1,0,0]=3 450 B6R0.1 C[C@H](CO)CCN 78036 [1,1,0,0,0,0|1,0,0]=3 451 B6R0.1 C[C@H](CO)CCO 63982 [1,1,0,0,0,0|1,0,0]=3 452 B6R0.1 C[C@H](CO)CCO 70021 [1,1,0,0,0,0|1,0,0]=3 453 B6R0.1 OCC[C@H](O)CCl D94503 [1,1,0,0,0,0|1,0,0]=3 454 B6R0.1 OCC[C@H](O)CO 56159 [1,1,0,0,0,0|1,0,0]=3 455 B6R0.1 OCC[C@H](O)CO 56160 [1,1,0,0,0,0|1,0,0]=3 456 B6R0.1 OCC[C@H](O)CO AC2226 [1,1,0,0,0,0|1,0,0]=3 457 B6R0.1 O[C@H](CBr)CCBr F14612 [1,1,0,0,0,0|2,0,0]=4 458 B6R0.4 C=C(C)CNCC D95542 [1,1,0,0,0,0|1,0,1]=4 459 B6R0.4 CC(=O)CCCCl D77754 [1,1,0,0,0,0|1,0,1]=4 460 B6R0.4 CC(=O)CCCO 24602 [1,1,0,0,0,0|0,0,1]=3 461 B6R0.4 CC(=O)NCCO FD10637 [1,1,0,0,0,0|1,0,1]=4 462 B6R0.4 CC(=O)OCCO D88371 [1,1,0,0,0,0|1,0,1]=4 463 B6R0.4 CC(C)CCCBr O10389 [1,1,0,0,0,0|1,0,0]=3 464 B6R0.4 CC(C)CCCO F20439 [1,1,0,0,0,0|0,0,0]=2 465 B6R0.4 CC(C)NCCCl 20398 [1,1,0,0,0,0|2,0,0]=4 466 B6R0.4 CC(C)NCCO D78491 [1,1,0,0,0,0|1,0,0]=3 467 B6R0.4 CCCCB(O)O 33151 [1,1,0,0,0,0|1,0,0]=3 468 B6R0.4 CCCCC(=N)N 31933 [1,1,0,0,0,0|1,0,1]=4 469 B6R0.4 CCCCC(=N)N W16181 [1,1,0,0,0,0|1,0,1]=4 470 B6R0.4 CCCCC(=O)[O-] F16484 [1,1,0,0,0,0|0,0,2]=4 471 B6R0.4 CCCCC(N)=O A10835 [1,1,0,0,0,0|0,0,2]=4 472 B6R0.4 CCCNC(C)=O D97464 [1,1,0,0,0,0|1,0,1]=4 473 B6R0.4 CCCSC(C)=O D92148 [1,1,0,0,0,0|1,0,1]=4 474 B6R0.4 CCOCC(C)C D93520 [1,1,0,0,0,0|1,0,0]=3 475 B6R0.4 CCSCC(=O)O D95699 [1,1,0,0,0,0|1,0,1]=4 476 B6R0.4 CN(C)CCCBr 25428 [1,1,0,0,0,0|2,0,0]=4 477 B6R0.4 CN(C)CCCCl 23626 [1,1,0,0,0,0|2,0,0]=4 478 B6R0.4 CN(C)CCCCl AC7814 [1,1,0,0,0,0|2,0,0]=4 479 B6R0.4 CN(C)CCCS D93440 [1,1,0,0,0,0|1,1,0]=4 480 B6R0.4 CNCCC(=O)O 29150 [1,1,0,0,0,0|1,0,1]=4 481 B6R0.4 CNCCC(=O)O C76064 [1,1,0,0,0,0|1,0,1]=4 482 B6R0.4 CNCCN(C)C 20029 [1,1,0,0,0,0|2,0,0]=4 483 B6R0.4 CNCCN(C)C 24589 [1,1,0,0,0,0|2,0,0]=4 484 B6R0.4 COCCC(=O)O F14687 [1,1,0,0,0,0|1,0,1]=4 485 B6R0.4 COCCN(C)C A11162 [1,1,0,0,0,0|2,0,0]=4 486 B6R0.4 CSCCC(=O)O D87669 [1,1,0,0,0,0|1,0,1]=4 487 B6R0.4 CSCCC(C)=O D91573 [1,1,0,0,0,0|1,0,1]=4 488 B6R0.4 C[C@H](Br)CCCBr F14613 [1,1,0,0,0,0|1,0,0]=3 489 B6R0.4 C[C@H](O)CCCO 22874 [1,1,0,0,0,0|0,0,0]=2 490 B6R0.4 NCCCC(=O)O D70585 [1,1,0,0,0,0|1,0,1]=4 491 B6R0.4 O=C(O)CCCBr 20498 [1,1,0,0,0,0|1,0,1]=4 492 B6R0.4 O=C(O)CCCCl F19286 [1,1,0,0,0,0|1,0,1]=4 493 B6R0.4 O=C(O)CCCS F20547 [1,1,0,0,0,0|1,0,1]=4 494 B8R0.1 CCOC(=O)CCCBr F11167 [0,2,0,0,0,0|1,0,1]=4 495 B8R0.1 CCOC(=O)CCCI 74907 [0,2,0,0,0,0|1,0,1]=4 496 B8R0.1 CCOC(=O)CCCN 20516 [0,2,0,0,0,0|1,0,1]=4 497 B8R0.1 CCOC(=O)CCOC D91424 [0,2,0,0,0,0|1,0,1]=4 498 B8R0.4 BrCCCCCCCBr H11758 [0,2,0,0,0,0|1,0,0]=3 499 B8R0.4 C#CCCCCCCO 85580 [0,2,0,0,0,0|0,0,0]=2 500 B8R0.4 C=CCCCCCCBr 78390 [0,2,0,0,0,0|1,0,0]=3 501 B8R0.4 C=CCCCCCCCl I11995 [0,2,0,0,0,0|1,0,0]=3 502 B8R0.4 CCCCCCCCCl D97411 [0,2,0,0,0,0|1,0,0]=3 503 B8R0.4 CCCCCCCCI W18672 [0,2,0,0,0,0|1,0,0]=3 504 B8R0.4 CCCCCCCCN D91873 [0,2,0,0,0,0|1,0,0]=3 505 B8R0.4 CCCCCCCCN D91878 [0,2,0,0,0,0|1,0,0]=3 506 B8R0.4 CCCCCCCNC D82019 [0,2,0,0,0,0|1,0,0]=3 507 B8R0.4 CCCCCCN=C=S D95721 [0,2,0,0,0,0|0,1,0]=3 508 B8R0.4 CCCCC\C=C\C=O D91827 [0,2,0,0,0,0|0,0,2]=4 509 B8R0.4 CCCCC\C=C\CO D91843 [0,2,0,0,0,0|0,0,0]=2 510 B8R0.4 CCCCOCCC#N AC1754 [0,2,0,0,0,0|1,0,0]=3 511 B8R0.4 CCCCOCCOC A11001 [0,2,0,0,0,0|0,0,0]=2 512 B8R0.4 CCCC[SnH4+2]CCCC D95293 [0,2,0,0,0,0|1,0,0]=3 513 B8R0.4 CCCC[SnH4+2]CCCC D95356 [0,2,0,0,0,0|1,0,0]=3 514 B8R0.4 CCCSSSCCC D95313 [0,2,0,0,0,0|2,0,0]=4 515 B8R0.4 CCOCCOCCBr D97193 [0,2,0,0,0,0|1,0,0]=3 516 B8R0.4 CCOCCOCCO D72502 [0,2,0,0,0,0|0,0,0]=2 517 B8R0.4 CC\C=C/CCOC=O D95718 [0,2,0,0,0,0|0,0,2]=4 518 B8R0.4 COCCNCCOC F11888 [0,2,0,0,0,0|1,0,0]=3 519 B8R0.4 COCCOCCCBr S10711 [0,2,0,0,0,0|1,0,0]=3 520 B8R0.4 COCCOCCCN A10954 [0,2,0,0,0,0|1,0,0]=3 521 B8R0.4 COCCOCCOC D80970 [0,2,0,0,0,0|1,0,0]=3 522 B8R0.4 NCCCCCCCN O11823 [0,2,0,0,0,0|1,0,0]=3 523 B8R0.4 NCCCOCCCN T70571 [0,2,0,0,0,0|1,0,0]=3 524 B8R0.4 OCCCCCCCBr 34162 [0,2,0,0,0,0|0,0,0]=2 525 B8R0.4 OCCCCCCCCl D97219 [0,2,0,0,0,0|0,0,0]=2 526 B8R0.4 OCCCCCCCO H10510 [0,2,0,0,0,0|0,0,0]=2 527 B8R0.4 OCCCNCCCO O10901 [0,2,0,0,0,0|0,0,0]=2 528 B8R0.4 [N-]=[N+]=NCCOCCO C70236 [0,2,0,0,0,0|2,0,0]=4 529 B8R0.6 C=CC(=O)CCCCC D71008 [0,2,0,0,0,0|0,0,2]=4 530 B8R0.6 C=C[C@@H](O)CCCCC D91822 [0,2,0,0,0,0|0,0,0]=2 531 B8R0.6 CCCCC[C@@H](O)CC D78240 [0,2,0,0,0,0|0,0,0]=2 532 B8R0.6 CCCCNC(=O)CC D88679 [0,2,0,0,0,0|1,0,1]=4 533 B8R0.6 CCCCNC(=O)CCl 23765 [0,2,0,0,0,0|1,0,1]=4 534 B8R0.6 CCCCOC(=O)CN F52077 [0,2,0,0,0,0|1,0,1]=4 535 B8R0.6 CCCCOC(=O)CO D70201 [0,2,0,0,0,0|0,0,1]=3 536 B8R0.6 CCNCCC(=O)OC 31591 [0,2,0,0,0,0|1,0,1]=4 537 B8R0.6 CNCCCC(=O)OC AB9747 [0,2,0,0,0,0|1,0,1]=4 538 B8R0.6 COC(=O)CCCCBr 76669 [0,2,0,0,0,0|1,0,1]=4 539 B8R0.6 COC(=O)CCCCCl D75917 [0,2,0,0,0,0|1,0,1]=4 540 B8R0.6 COC(=O)CCCCN 76218 [0,2,0,0,0,0|1,0,1]=4 541 B8R0.6 COCCCC(=O)OC F14920 [0,2,0,0,0,0|1,0,1]=4 542 B8R0.6 NCCCC[C@H](N)CO F52525 [0,2,0,0,0,0|0,0,0]=2 543 B8R0.6 OCCCC[C@H](O)CO 75130 [0,2,0,0,0,0|0,0,0]=2 544 B8R0.7 C#CCCCCC(=O)O 76366 [0,2,0,0,0,0|0,0,2]=4 545 B8R0.7 C=CCCCCB(O)O I12043 [0,2,0,0,0,0|0,0,2]=4 546 B8R0.7 C=CCCCCC(=O)O I11996 [0,2,0,0,0,0|0,0,2]=4 547 B8R0.7 CC(=O)OCCCCBr F16811 [0,2,0,0,0,0|1,0,1]=4 548 B8R0.7 CC(=O)OCCCCCl H10679 [0,2,0,0,0,0|1,0,1]=4 549 B8R0.7 CC(C)CCCCCO A10851 [0,2,0,0,0,0|0,0,0]=2 550 B8R0.7 CC(C)NCCCCO F10470 [0,2,0,0,0,0|0,0,0]=2 551 B8R0.7 CCCCCCB(O)O 33195 [0,2,0,0,0,0|0,0,0]=2 552 B8R0.7 CCCCCCC(=O)Cl A10863 [0,2,0,0,0,0|0,0,1]=3 553 B8R0.7 CCCCCCC(=O)[O-] D90422 [0,2,0,0,0,0|0,0,1]=3 554 B8R0.7 CCCCCCC(N)=O D93021 [0,2,0,0,0,0|0,0,1]=3 555 B8R0.7 CCCCCC[C@H](C)Br F21283 [0,2,0,0,0,0|1,0,0]=3 556 B8R0.7 CCCCCC[C@H](C)O AC1155 [0,2,0,0,0,0|0,0,0]=2 557 B8R0.7 CCCCCC[C@H](C)O D71187 [0,2,0,0,0,0|0,0,0]=2 558 B8R0.7 CCCCCC[C@H](C)O D81747 [0,2,0,0,0,0|0,0,0]=2 559 B8R0.7 CCCCCOC(=O)Cl D89273 [0,2,0,0,0,0|0,0,2]=4 560 B8R0.7 CCCCCOC(=S)[S-] D88265 [0,2,0,0,0,0|0,1,1]=4 561 B8R0.7 CCCCOCC(=O)O AC1559 [0,2,0,0,0,0|0,0,1]=3 562 B8R0.7 CCCC\C=C\B(O)O F10508 [0,2,0,0,0,0|0,0,2]=4 563 B8R0.7 CCCC\C=C\C(=O)O D90864 [0,2,0,0,0,0|0,0,2]=4 564 B8R0.7 CCNCCCN(C)C 31761 [0,2,0,0,0,0|2,0,0]=4 565 B8R0.7 CN(C)CCCCC#N AC2013 [0,2,0,0,0,0|1,0,1]=4 566 B8R0.7 COCCOCC(=O)O D74540 [0,2,0,0,0,0|1,0,1]=4 567 B8R0.7 NC(=O)CCCCCBr 74914 [0,2,0,0,0,0|0,0,2]=4 568 B8R0.7 O=C(Cl)CCCCCBr D88888 [0,2,0,0,0,0|0,0,2]=4 569 B8R0.7 O=C(O)CCCCCBr F11242 [0,2,0,0,0,0|0,0,1]=3 570 B8R0.7 O=C(O)CCCCCCl D77823 [0,2,0,0,0,0|0,0,1]=3 571 B8R0.7 O=C(O)CCCCCO S10488 [0,2,0,0,0,0|0,0,1]=3 572 B8R0.7 O=C(O)CCNCCO D94998 [0,2,0,0,0,0|1,0,1]=4 573 B8R0.7 O=C([O-])CCCCCO Y10610 [0,2,0,0,0,0|0,0,1]=3 574 B8R0.3 CCOC(=O)[C@@H](N)CO FD3048 [0,2,0,0,0,0|1,0,1]=4 575 B8R0.3 CCOC(=O)[C@@H](N)CO FD3050 [0,2,0,0,0,0|1,0,1]=4 576 B8R0.3 CCOC(=O)[C@@H](N)CO FD3052 [0,2,0,0,0,0|1,0,1]=4 577 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO 44130 [0,2,0,0,0,0|1,0,1]=4 578 B8R0.8 CCCCC(=O)C(C)C D91376 [0,2,0,0,0,0|1,0,1]=4 579 B8R0.8 CCCC[C@H](Br)C(=O)O H11951 [0,2,0,0,0,0|0,0,1]=3 580 B8R0.8 CCCC[C@H](C)C(=O)O D91409 [0,2,0,0,0,0|0,0,1]=3 581 B8R0.8 CCCC[C@H](N)C(=O)O 73275 [0,2,0,0,0,0|0,0,1]=3 582 B8R0.8 CCCC[C@H](N)C(=O)O FD3031 [0,2,0,0,0,0|0,0,1]=3 583 B8R0.8 CCCC[C@H](N)C(=O)O FD3085 [0,2,0,0,0,0|0,0,1]=3 584 B8R0.8 CCCOC(=O)[C@H](C)O D91251 [0,2,0,0,0,0|1,0,1]=4 585 B8R0.8 CSCC[C@H](N)C(=O)O 30742 [0,2,0,0,0,0|1,0,1]=4 586 B8R0.8 CSCC[C@H](N)C(=O)O D70895 [0,2,0,0,0,0|1,0,1]=4 587 B8R0.8 CSCC[C@H](N)C(=O)O D72471 [0,2,0,0,0,0|1,0,1]=4 588 B8R0.8 CSCC[C@H](O)C(=O)O H11809 [0,2,0,0,0,0|1,0,1]=4 589 B8R0.8 C[C@H](O)C(=O)NCCO D90852 [0,2,0,0,0,0|1,0,1]=4 590 B8R0.8 C[Se]CC[C@H](N)C(=O)O D92258 [0,2,0,0,0,0|1,0,1]=4 591 B8R0.8 NCCC[C@H](N)C(=O)O 28202 [0,2,0,0,0,0|1,0,1]=4 592 B8R0.8 NCCC[C@H](N)C(=O)O 28697 [0,2,0,0,0,0|1,0,1]=4 593 B8R0.8 NCCC[C@H](N)C(=O)O AC1496 [0,2,0,0,0,0|1,0,1]=4 594 B8R0.8 NCCC[C@H](N)C(=O)O D70545 [0,2,0,0,0,0|1,0,1]=4 595 B8R0.8 NCCC[C@H](N)C(=O)O D91796 [0,2,0,0,0,0|1,0,1]=4 596 B8R0.8 NCCC[C@H](N)C(=O)O F17224 [0,2,0,0,0,0|1,0,1]=4 597 B8R0.9 CCC(=O)CCC(=O)O D93322 [0,2,0,0,0,0|0,0,2]=4 598 B8R0.11 CCCCN(CC)CC D94767 [0,2,0,0,0,0|2,0,0]=4 599 B8R0.11 CCCC[C@H](CC)CBr D77662 [0,2,0,0,0,0|1,0,0]=3 600 B8R0.11 CCCC[C@H](CC)CCl D89423 [0,2,0,0,0,0|1,0,0]=3 601 B8R0.11 CCCC[C@H](CC)CN D90440 [0,2,0,0,0,0|1,0,0]=3 602 B8R0.11 CCCC[C@H](CC)CO D72516 [0,2,0,0,0,0|0,0,0]=2 603 B8R0.11 CCCC[C@H](CC)CS D90586 [0,2,0,0,0,0|0,1,0]=3 604 B8R0.11 CCN(CC)CCCCl F20381 [0,2,0,0,0,0|2,0,0]=4 605 B8R0.11 CCN(CC)CCCO F11356 [0,2,0,0,0,0|1,0,0]=3 606 B8R0.11 COC(CCCCl)OC 40304 [0,2,0,0,0,0|2,0,0]=4 607 B8R0.11 COC(CCCN)OC D77943 [0,2,0,0,0,0|2,0,0]=4 608 B8R0.25 CC(C)(CO)CCC[NH3+] D86481 [0,2,0,0,0,0|1,0,0]=3 609 B8R0.5 CCOC(=O)C[C@H](C)O D70263 [0,2,0,0,0,0|1,0,1]=4 610 B8R0.5 CCOC(=O)C[C@H](C)O F16431 [0,2,0,0,0,0|1,0,1]=4 611 B8R0.5 CCOC(=O)C[C@H](C)O SC1027 [0,2,0,0,0,0|1,0,1]=4 612 B8R0.5 CCS[C@@H](C)CC(=O)O D80779 [0,2,0,0,0,0|1,0,1]=4 613 B8R0.21 CCCCCS(=O)(=O)[O-] F10023 [0,2,0,0,0,0|1,0,1]=4 614 B8R0.21 CCCCCS(=O)(=O)[O-] F10035 [0,2,0,0,0,0|1,0,1]=4 615 B8R0.21 CCCCC[B-](F)(F)F D93585 [0,2,0,0,0,0|2,0,0]=4 616 B8R0.21 CCCCOC(C)(C)C D92818 [0,2,0,0,0,0|2,0,0]=4 617 B8R0.21 O=S(=O)(O)CCCCO F11795 [0,2,0,0,0,0|2,0,0]=4 618 B8R0.21 OCCNCC(F)(F)F A11695 [0,2,0,0,0,0|2,0,0]=4 619 B8R0.21 OCCOCC(F)(F)F F20478 [0,2,0,0,0,0|2,0,0]=4 620 B8R0.28 CC(=O)CCCC(=O)O TD8115 [0,2,0,0,0,0|0,0,2]=4 621 B8R0.28 CC(=O)CCCC(C)C D81757 [0,2,0,0,0,0|0,0,2]=4 622 B8R0.28 CC(C)CNCC(C)C D89689 [0,2,0,0,0,0|2,0,0]=4 623 B8R0.28 CC(C)COCC(=O)O D79193 [0,2,0,0,0,0|1,0,1]=4 624 B8R0.28 CC(O)COCC(C)O D78446 [0,2,0,0,0,0|1,0,0]=3 625 B8R0.28 CN(C)CCCC(=O)O F14882 [0,2,0,0,0,0|1,0,1]=4 626 B8R0.22 CCCC(C#N)CCC F19469 [0,2,0,0,0,0|1,0,0]=3 627 B8R0.22 CCCN(C=O)CCC D70355 [0,2,0,0,0,0|2,0,0]=4 628 B8R0.22 CCCN(CCC)N=O D91709 [0,2,0,0,0,0|2,0,0]=4 629 B8R0.22 CCC[C@@H](CCO)SC D91575 [0,2,0,0,0,0|0,0,0]=2 630 B8R0.30 CCCS(=O)(=O)CCC D89800 [0,2,0,0,0,0|2,0,0]=4 631 B8R0.30 C[N+](C)(CCO)CCO D89074 [0,2,0,0,0,0|2,0,0]=4 632 B8R0.30 O=S(=O)(CCO)CCO 12219 [0,2,0,0,0,0|2,0,0]=4 633 B6R1.1 C1=CCOCC1 37905 [1,0,0,1,0,0|0,0,2]=4 634 B6R1.1 C1=COCCC1 D78128 [1,0,0,1,0,0|0,0,2]=4 635 B6R1.1 C1CCNCC1 D77674 [1,0,0,1,0,0|1,0,0]=3 636 B6R1.1 C1CCNNC1 AB2862 [1,0,0,1,0,0|2,0,0]=4 637 B6R1.1 C1CCONC1 72394 [1,0,0,1,0,0|1,0,0]=3 638 B6R1.1 C1CCSCC1 D78391 [1,0,0,1,0,0|0,1,0]=3 639 B6R1.1 C1CNCCN1 D97840 [1,0,0,1,0,0|2,0,0]=4 640 B6R1.1 C1COCCN1 D70343 [1,0,0,1,0,0|1,0,0]=3 641 B6R1.1 C1COCCN1 D95446 [1,0,0,1,0,0|1,0,0]=3 642 B6R1.1 C1COCCN1 F14226 [1,0,0,1,0,0|1,0,0]=3 643 B6R1.1 C1CSCCN1 P10015 [1,0,0,1,0,0|1,1,0]=4 644 B6R1.1 C1CSCCO1 D87969 [1,0,0,1,0,0|1,0,0]=3 645 B6R1.1 C1CSCSC1 S10678 [1,0,0,1,0,0|1,1,0]=4 646 B6R1.2 Br[C@H]1CCNC1 23535 [1,0,0,1,0,0|2,0,0]=4 647 B6R1.2 Br[C@H]1CCOC1 25079 [1,0,0,1,0,0|2,0,0]=4 648 B6R1.2 CC1=NCCC1 35340 [1,0,0,1,0,0|1,0,1]=4 649 B6R1.2 CC1=NCCO1 F16112 [1,0,0,1,0,0|1,0,1]=4 650 B6R1.2 CN1CCCC1 D78045 [1,0,0,1,0,0|1,0,0]=3 651 B6R1.2 C[C@H]1CCCN1 11755 [1,0,0,1,0,0|1,0,0]=3 652 B6R1.2 C[C@H]1CCCN1 23331 [1,0,0,1,0,0|1,0,0]=3 653 B6R1.2 C[C@H]1CCCN1 64834 [1,0,0,1,0,0|1,0,0]=3 654 B6R1.2 C[C@H]1CCCN1 64835 [1,0,0,1,0,0|1,0,0]=3 655 B6R1.2 C[C@H]1CCCN1 64836 [1,0,0,1,0,0|1,0,0]=3 656 B6R1.2 C[C@H]1CCCS1 TD8134 [1,0,0,1,0,0|0,1,0]=3 657 B6R1.2 C[C@H]1CCNC1 69325 [1,0,0,1,0,0|1,0,0]=3 658 B6R1.2 C[C@H]1CCNC1 69329 [1,0,0,1,0,0|1,0,0]=3 659 B6R1.2 C[C@H]1CCOC1 F16704 [1,0,0,1,0,0|1,0,0]=3 660 B6R1.2 C[S+]1CCCC1 AC8164 [1,0,0,1,0,0|1,0,0]=3 661 B6R1.2 F[C@H]1CCNC1 26948 [1,0,0,1,0,0|2,0,0]=4 662 B6R1.2 F[C@H]1CCNC1 37160 [1,0,0,1,0,0|2,0,0]=4 663 B6R1.2 F[C@H]1CCNC1 83419 [1,0,0,1,0,0|2,0,0]=4 664 B6R1.2 IC1CCCC1 P10039 [1,0,0,1,0,0|1,0,0]=3 665 B6R1.2 I[C@H]1CCOC1 82009 [1,0,0,1,0,0|2,0,0]=4 666 B6R1.2 NC1CCCC1 22312 [1,0,0,1,0,0|1,0,0]=3 667 B6R1.2 N[C@H]1CCNC1 41400 [1,0,0,1,0,0|2,0,0]=4 668 B6R1.2 N[C@H]1CCNC1 52206 [1,0,0,1,0,0|2,0,0]=4 669 B6R1.2 N[C@H]1CCNC1 70366 [1,0,0,1,0,0|2,0,0]=4 670 B6R1.2 N[C@H]1CCNC1 N12040 [1,0,0,1,0,0|2,0,0]=4 671 B6R1.2 N[C@H]1CCNC1 S10941 [1,0,0,1,0,0|2,0,0]=4 672 B6R1.2 N[C@H]1CCNC1 T70189 [1,0,0,1,0,0|2,0,0]=4 673 B6R1.2 N[C@H]1CCOC1 24756 [1,0,0,1,0,0|2,0,0]=4 674 B6R1.2 N[C@H]1CCOC1 29281 [1,0,0,1,0,0|2,0,0]=4 675 B6R1.2 N[C@H]1CCOC1 37020 [1,0,0,1,0,0|2,0,0]=4 676 B6R1.2 N[C@H]1CCOC1 37021 [1,0,0,1,0,0|2,0,0]=4 677 B6R1.2 N[C@H]1CCOC1 53315 [1,0,0,1,0,0|2,0,0]=4 678 B6R1.2 N[C@H]1CCOC1 SC1299 [1,0,0,1,0,0|2,0,0]=4 679 B6R1.2 O=S1CCCC1 D92307 [1,0,0,1,0,0|1,0,1]=4 680 B6R1.2 OC1CC=CC1 68362 [1,0,0,1,0,0|0,0,2]=4 681 B6R1.2 O[C@@H]1CCCO1 31275 [1,0,0,1,0,0|1,0,0]=3 682 B6R1.2 O[C@H]1CCNC1 29173 [1,0,0,1,0,0|1,0,0]=3 683 B6R1.2 O[C@H]1CCNC1 29174 [1,0,0,1,0,0|1,0,0]=3 684 B6R1.2 O[C@H]1CCNC1 29175 [1,0,0,1,0,0|1,0,0]=3 685 B6R1.2 O[C@H]1CCNC1 38203 [1,0,0,1,0,0|1,0,0]=3 686 B6R1.2 O[C@H]1CCNC1 62968 [1,0,0,1,0,0|1,0,0]=3 687 B6R1.2 O[C@H]1CCNC1 62970 [1,0,0,1,0,0|1,0,0]=3 688 B6R1.2 O[C@H]1CCOC1 37369 [1,0,0,1,0,0|1,0,0]=3 689 B6R1.2 O[C@H]1CCOC1 66692 [1,0,0,1,0,0|1,0,0]=3 690 B6R1.2 O[C@H]1CCOC1 66694 [1,0,0,1,0,0|1,0,0]=3 691 B6R1.2 O[C@H]1CCSC1 W10543 [1,0,0,1,0,0|1,0,0]=3 692 B6R1.2 O[C@H]1CNOC1 31853 [1,0,0,1,0,0|2,0,0]=4 693 B6R1.2 SC1CCCC1 D89300 [1,0,0,1,0,0|0,1,0]=3 694 B6R1.3 BrCC[C@H]1CO1 30763 [1,0,0,1,0,0|1,0,0]=3 695 B6R1.3 CCNC1CC1 AC2514 [1,0,0,1,0,0|1,0,0]=3 696 B6R1.3 CCNC1CC1 F20037 [1,0,0,1,0,0|1,0,0]=3 697 B6R1.3 CNCC1CC1 71893 [1,0,0,1,0,0|1,0,0]=3 698 B6R1.3 COC[C@H]1CO1 D90741 [1,0,0,1,0,0|1,0,0]=3 699 B6R1.3 COC[C@H]1CO1 D90742 [1,0,0,1,0,0|1,0,0]=3 700 B6R1.3 COC[C@H]1CO1 F11173 [1,0,0,1,0,0|1,0,0]=3 701 B6R1.3 N#CCC1CC1 35740 [1,0,0,1,0,0|1,0,1]=4 702 B6R1.3 NCCC1CC1 38310 [1,0,0,1,0,0|1,0,0]=3 703 B6R1.3 NCCC1CC1 AB6939 [1,0,0,1,0,0|1,0,0]=3 704 B6R1.3 NNCC1CC1 BL010401 [1,0,0,1,0,0|2,0,0]=4 705 B6R1.3 OCCC1CC1 35626 [1,0,0,1,0,0|0,0,0]=2 706 B6R1.3 OCCN1CC1 52820 [1,0,0,1,0,0|1,0,0]=3 707 B6R1.6 BrCC1CCC1 55311 [1,0,0,1,0,0|1,0,0]=3 708 B6R1.6 BrCC1COC1 P12750 [1,0,0,1,0,0|2,0,0]=4 709 B6R1.6 CNC1CNC1 37853 [1,0,0,1,0,0|2,0,0]=4 710 B6R1.6 CNC1COC1 32882 [1,0,0,1,0,0|2,0,0]=4 711 B6R1.6 COC1CNC1 34638 [1,0,0,1,0,0|2,0,0]=4 712 B6R1.6 COC1CNC1 63504 [1,0,0,1,0,0|2,0,0]=4 713 B6R1.6 ClCC1COC1 29833 [1,0,0,1,0,0|2,0,0]=4 714 B6R1.6 ICC1CCC1 P15852 [1,0,0,1,0,0|1,0,0]=3 715 B6R1.6 ICC1COC1 80847 [1,0,0,1,0,0|2,0,0]=4 716 B6R1.6 IC[C@H]1CCO1 30641 [1,0,0,1,0,0|1,0,0]=3 717 B6R1.6 N#CC1CCC1 82484 [1,0,0,1,0,0|1,0,1]=4 718 B6R1.6 NCC1CCC1 33345 [1,0,0,1,0,0|1,0,0]=3 719 B6R1.6 NCC1CCC1 35685 [1,0,0,1,0,0|1,0,0]=3 720 B6R1.6 NCC1COC1 66389 [1,0,0,1,0,0|2,0,0]=4 721 B6R1.6 NCC1COC1 F14274 [1,0,0,1,0,0|2,0,0]=4 722 B6R1.6 NC[C@H]1CCO1 32892 [1,0,0,1,0,0|1,0,0]=3 723 B6R1.6 O=CC1CCC1 83143 [1,0,0,1,0,0|0,0,2]=4 724 B6R1.6 OCC1CCC1 24520 [1,0,0,1,0,0|0,0,0]=2 725 B6R1.6 OCC1CNC1 SC3671 [1,0,0,1,0,0|1,0,0]=3 726 B6R1.6 OCC1COC1 81312 [1,0,0,1,0,0|1,0,0]=3 727 B8R1.2 BrCC1CCCCC1 81459 [0,1,0,1,0,0|1,0,0]=3 728 B8R1.2 BrCC1CCNCC1 54450 [0,1,0,1,0,0|1,0,0]=3 729 B8R1.2 BrCC1CCOCC1 54616 [0,1,0,1,0,0|1,0,0]=3 730 B8R1.2 C#CC1CCCCC1 F16297 [0,1,0,1,0,0|1,0,0]=3 731 B8R1.2 C=CC1CCCCC1 D92778 [0,1,0,1,0,0|1,0,0]=3 732 B8R1.2 CCN1CCNCC1 P17082 [0,1,0,1,0,0|2,0,0]=4 733 B8R1.2 CC[C@H]1CCCCN1 D90478 [0,1,0,1,0,0|1,0,0]=3 734 B8R1.2 CC[C@H]1COCCN1 F13094 [0,1,0,1,0,0|1,0,0]=3 735 B8R1.2 CC[C@H]1COCCN1 F17622 [0,1,0,1,0,0|1,0,0]=3 736 B8R1.2 CC[C@H]1COCCN1 FD6007 [0,1,0,1,0,0|1,0,0]=3 737 B8R1.2 CNC1CCOCC1 32360 [0,1,0,1,0,0|2,0,0]=4 738 B8R1.2 CNC1CCOCC1 AB1551 [0,1,0,1,0,0|2,0,0]=4 739 B8R1.2 CN[C@H]1CCCNC1 33739 [0,1,0,1,0,0|2,0,0]=4 740 B8R1.2 COC1CCNCC1 29503 [0,1,0,1,0,0|1,0,0]=3 741 B8R1.2 COC1CCNCC1 30319 [0,1,0,1,0,0|1,0,0]=3 742 B8R1.2 CO[C@H]1CCCNC1 32736 [0,1,0,1,0,0|1,0,0]=3 743 B8R1.2 CO[C@H]1CCCNC1 32744 [0,1,0,1,0,0|1,0,0]=3 744 B8R1.2 CO[C@H]1CCCNC1 37169 [0,1,0,1,0,0|1,0,0]=3 745 B8R1.2 CO[C@H]1CCCNC1 37171 [0,1,0,1,0,0|1,0,0]=3 746 B8R1.2 CO[C@H]1CCCNC1 AB7412 [0,1,0,1,0,0|1,0,0]=3 747 B8R1.2 ClC[C@H]1CNCCO1 50754 [0,1,0,1,0,0|1,0,0]=3 748 B8R1.2 ICC1CCOCC1 62810 [0,1,0,1,0,0|1,0,0]=3 749 B8R1.2 N#CC1CCCCC1 F14026 [0,1,0,1,0,0|1,0,0]=3 750 B8R1.2 N#CC1CCCCN1 37817 [0,1,0,1,0,0|1,0,1]=4 751 B8R1.2 N#CC1CCNCC1 50765 [0,1,0,1,0,0|1,0,1]=4 752 B8R1.2 N#CC1CCNCC1 83447 [0,1,0,1,0,0|1,0,1]=4 753 B8R1.2 N#CC1CCOCC1 AB2989 [0,1,0,1,0,0|1,0,1]=4 754 B8R1.2 N#C[C@H]1CCCNC1 82699 [0,1,0,1,0,0|1,0,1]=4 755 B8R1.2 N#C[C@H]1CCCNC1 83525 [0,1,0,1,0,0|1,0,1]=4 756 B8R1.2 NCC1CCCCC1 FD10556 [0,1,0,1,0,0|1,0,0]=3 757 B8R1.2 NCC1CCNCC1 20503 [0,1,0,1,0,0|1,0,0]=3 758 B8R1.2 NCC1CCOCC1 51888 [0,1,0,1,0,0|1,0,0]=3 759 B8R1.2 NCC1CCOCC1 AB1593 [0,1,0,1,0,0|1,0,0]=3 760 B8R1.2 NC[C@H]1CCCCN1 F13324 [0,1,0,1,0,0|1,0,0]=3 761 B8R1.2 NC[C@H]1CCCCO1 29695 [0,1,0,1,0,0|0,0,0]=2 762 B8R1.2 NC[C@H]1CCCNC1 51408 [0,1,0,1,0,0|1,0,0]=3 763 B8R1.2 NC[C@H]1CCCNC1 AB01087 [0,1,0,1,0,0|1,0,0]=3 764 B8R1.2 NC[C@H]1CCCOC1 P10450 [0,1,0,1,0,0|1,0,0]=3 765 B8R1.2 NC[C@H]1CNCCO1 30960 [0,1,0,1,0,0|1,0,0]=3 766 B8R1.2 NC[C@H]1COCCO1 P10401 [0,1,0,1,0,0|1,0,0]=3 767 B8R1.2 NNC1CCCCC1 74084 [0,1,0,1,0,0|1,0,0]=3 768 B8R1.2 NNC1CCCCC1 BL010400 [0,1,0,1,0,0|1,0,0]=3 769 B8R1.2 NNC1CCOCC1 20334 [0,1,0,1,0,0|2,0,0]=4 770 B8R1.2 NNC1CCOCC1 BL010345 [0,1,0,1,0,0|2,0,0]=4 771 B8R1.2 NO[C@@H]1CCCCO1 FD1322 [0,1,0,1,0,0|1,0,0]=3 772 B8R1.2 O=CC1CCCCC1 39466 [0,1,0,1,0,0|0,0,1]=3 773 B8R1.2 O=CC1CCOCC1 61400 [0,1,0,1,0,0|0,0,2]=4 774 B8R1.2 O=CC1CCSCC1 29959 [0,1,0,1,0,0|0,0,2]=4 775 B8R1.2 O=NN1CCCCC1 D92816 [0,1,0,1,0,0|1,0,1]=4 776 B8R1.2 OCC1CCCCC1 73723 [0,1,0,1,0,0|0,0,0]=2 777 B8R1.2 OCC1CCNCC1 25838 [0,1,0,1,0,0|0,0,0]=2 778 B8R1.2 OCC1CCOCC1 66550 [0,1,0,1,0,0|0,0,0]=2 779 B8R1.2 OCC1CCSCC1 30719 [0,1,0,1,0,0|0,0,0]=2 780 B8R1.2 OC[C@@H]1CC=CCC1 AC7844 [0,1,0,1,0,0|0,0,1]=3 781 B8R1.2 OC[C@H]1CCC=CO1 60150 [0,1,0,1,0,0|0,0,2]=4 782 B8R1.2 OC[C@H]1CCCCN1 23778 [0,1,0,1,0,0|0,0,0]=2 783 B8R1.2 OC[C@H]1CCCCN1 25116 [0,1,0,1,0,0|0,0,0]=2 784 B8R1.2 OC[C@H]1CCCCN1 39317 [0,1,0,1,0,0|0,0,0]=2 785 B8R1.2 OC[C@H]1CCCCN1 69389 [0,1,0,1,0,0|0,0,0]=2 786 B8R1.2 OC[C@H]1CCCCO1 P17277 [0,1,0,1,0,0|0,0,0]=2 787 B8R1.2 OC[C@H]1CCCNC1 20066 [0,1,0,1,0,0|0,0,0]=2 788 B8R1.2 OC[C@H]1CCCNC1 25088 [0,1,0,1,0,0|0,0,0]=2 789 B8R1.2 OC[C@H]1CCCNC1 32724 [0,1,0,1,0,0|0,0,0]=2 790 B8R1.2 OC[C@H]1CNCCN1 I11548 [0,1,0,1,0,0|1,0,0]=3 791 B8R1.2 OC[C@H]1CNCCO1 AB7650 [0,1,0,1,0,0|1,0,0]=3 792 B8R1.2 OC[C@H]1CNCCO1 S11136 [0,1,0,1,0,0|1,0,0]=3 793 B8R1.2 OC[C@H]1CNCCO1 SC3861 [0,1,0,1,0,0|1,0,0]=3 794 B8R1.2 OC[C@H]1COCCN1 25766 [0,1,0,1,0,0|1,0,0]=3 795 B8R1.2 OC[C@H]1COCCN1 26437 [0,1,0,1,0,0|1,0,0]=3 796 B8R1.2 OC[C@H]1COCCN1 62952 [0,1,0,1,0,0|1,0,0]=3 797 B8R1.2 OC[C@H]1COCCO1 AC1016 [0,1,0,1,0,0|1,0,0]=3 798 B8R1.2 ON=C1CCOCC1 H10065 [0,1,0,1,0,0|1,0,1]=4 799 B8R1.2 ON=C1CCSCC1 F15694 [0,1,0,1,0,0|1,0,1]=4 800 B8R1.2 ONC1CCCCC1 77599 [0,1,0,1,0,0|0,0,0]=2 801 B8R1.2 ONC1CCCCC1 77600 [0,1,0,1,0,0|0,0,0]=2 802 B8R1.5 BrC1CCCCC1Br 23806 [0,1,0,1,0,0|1,0,0]=3 803 B8R1.5 Br[C@H]1CCCC[C@@H]1Br D90058 [0,1,0,1,0,0|1,0,0]=3 804 B8R1.5 C[C@H]1CCCC[C@@H]1N S11914 [0,1,0,1,0,0|1,0,0]=3 805 B8R1.5 C[C@H]1CCCC[C@H]1C D89702 [0,1,0,1,0,0|1,0,0]=3 806 B8R1.5 C[C@H]1CCCNC1=O P10093 [0,1,0,1,0,0|0,0,2]=4 807 B8R1.5 C[C@H]1CNCCC1=O 63757 [0,1,0,1,0,0|0,0,2]=4 808 B8R1.5 C[C@H]1CNCCC1=O 67436 [0,1,0,1,0,0|0,0,2]=4 809 B8R1.5 C[C@H]1CNCCN1C 38274 [0,1,0,1,0,0|2,0,0]=4 810 B8R1.5 C[C@H]1CNCCN1C P11797 [0,1,0,1,0,0|2,0,0]=4 811 B8R1.5 FC1CCCCC1Br T71186 [0,1,0,1,0,0|1,0,0]=3 812 B8R1.5 NC1CCCCC1O AB10042 [0,1,0,1,0,0|0,0,0]=2 813 B8R1.5 N[C@@H]1CCCC[C@@H]1O 67886 [0,1,0,1,0,0|0,0,0]=2 814 B8R1.5 N[C@@H]1CCCC[C@@H]1O 67887 [0,1,0,1,0,0|0,0,0]=2 815 B8R1.5 N[C@@H]1CCCC[C@@H]1O A51241 [0,1,0,1,0,0|0,0,0]=2 816 B8R1.5 N[C@H]1CCCC[C@@H]1N 28367 [0,1,0,1,0,0|1,0,0]=3 817 B8R1.5 N[C@H]1CCCC[C@@H]1N 28369 [0,1,0,1,0,0|1,0,0]=3 818 B8R1.5 N[C@H]1CCCC[C@@H]1N F16348 [0,1,0,1,0,0|1,0,0]=3 819 B8R1.5 N[C@H]1CCCC[C@@H]1O 22869 [0,1,0,1,0,0|0,0,0]=2 820 B8R1.5 N[C@H]1CCCC[C@@H]1O 28325 [0,1,0,1,0,0|0,0,0]=2 821 B8R1.5 N[C@H]1CCCC[C@@H]1O 67740 [0,1,0,1,0,0|0,0,0]=2 822 B8R1.5 N[C@H]1CCCC[C@@H]1O 67741 [0,1,0,1,0,0|0,0,0]=2 823 B8R1.5 N[C@H]1CCCC[C@@H]1O 74387 [0,1,0,1,0,0|0,0,0]=2 824 B8R1.5 N[C@H]1CCCC[C@@H]1O H10809 [0,1,0,1,0,0|0,0,0]=2 825 B8R1.5 N[C@H]1CCCC[C@H]1N 11201 [0,1,0,1,0,0|1,0,0]=3 826 B8R1.5 N[C@H]1COCC[C@@H]1O 38320 [0,1,0,1,0,0|1,0,0]=3 827 B8R1.5 N[C@H]1COCC[C@@H]1O 39243 [0,1,0,1,0,0|1,0,0]=3 828 B8R1.5 N[C@H]1COCC[C@@H]1O P19738 [0,1,0,1,0,0|1,0,0]=3 829 B8R1.5 N[C@H]1COCC[C@@H]1O W11754 [0,1,0,1,0,0|1,0,0]=3 830 B8R1.5 O=C1CCCC[C@@H]1Br 67635 [0,1,0,1,0,0|0,0,2]=4 831 B8R1.5 O=C1CCCC[C@@H]1Cl AC1582 [0,1,0,1,0,0|0,0,2]=4 832 B8R1.5 O=C1CCCC[C@@H]1F W17462 [0,1,0,1,0,0|0,0,2]=4 833 B8R1.5 OC1CCCCC1Cl D71128 [0,1,0,1,0,0|0,0,0]=2 834 B8R1.5 OC1CCCCC1O FD9018 [0,1,0,1,0,0|0,0,0]=2 835 B8R1.5 OC1OCCOC1O 77851 [0,1,0,1,0,0|2,0,0]=4 836 B8R1.5 O[C@H]1CCCC[C@@H]1F T72787 [0,1,0,1,0,0|0,0,0]=2 837 B8R1.5 O[C@H]1CCCC[C@@H]1O O12154 [0,1,0,1,0,0|0,0,0]=2 838 B8R1.5 O[C@H]1CNCC[C@@H]1F 37697 [0,1,0,1,0,0|1,0,0]=3 839 B8R1.8 BrCCC1OCCO1 79535 [0,1,0,1,0,0|1,0,0]=3 840 B8R1.8 BrCCN1CCCC1 54542 [0,1,0,1,0,0|1,0,0]=3 841 B8R1.8 CCCC1=NCCN1 D92082 [0,1,0,1,0,0|1,0,1]=4 842 B8R1.8 CCO[C@H]1CCNC1 31293 [0,1,0,1,0,0|2,0,0]=4 843 B8R1.8 CNC[C@H]1CCCN1 P18037 [0,1,0,1,0,0|1,0,0]=3 844 B8R1.8 CNC[C@H]1CCOC1 P16261 [0,1,0,1,0,0|1,0,0]=3 845 B8R1.8 COC[C@H]1CCCN1 11150 [0,1,0,1,0,0|1,0,0]=3 846 B8R1.8 ClCCN1CCCC1 27886 [0,1,0,1,0,0|1,0,0]=3 847 B8R1.8 N#CCC1CCCC1 97394 [0,1,0,1,0,0|1,0,0]=3 848 B8R1.8 N#CCN1CCCC1 29506 [0,1,0,1,0,0|1,0,1]=4 849 B8R1.8 N#CCN1CCCC1 77828 [0,1,0,1,0,0|1,0,1]=4 850 B8R1.8 NCCC1CCCC1 23538 [0,1,0,1,0,0|1,0,0]=3 851 B8R1.8 NCCN1CCCC1 AC1468 [0,1,0,1,0,0|1,0,0]=3 852 B8R1.8 OCCC1CCCC1 P10032 [0,1,0,1,0,0|0,0,0]=2 853 B8R1.8 OCCN1CCCC1 F14228 [0,1,0,1,0,0|0,0,0]=2 854 B8R1.8 OCC[C@H]1CCNC1 38792 [0,1,0,1,0,0|0,0,0]=2 855 B8R1.10 CCCOC1CNC1 28518 [0,1,0,1,0,0|2,0,0]=4 856 B8R1.11 CCN1CCCC1=O A10865 [0,1,0,1,0,0|0,0,2]=4 857 B8R1.11 CC[C@H]1CCCC1=O D83898 [0,1,0,1,0,0|0,0,1]=3 858 B8R1.11 CN1CCC[C@@H]1CN C74098 [0,1,0,1,0,0|1,0,0]=3 859 B8R1.11 CN1CCC[C@@H]1CN D82178 [0,1,0,1,0,0|1,0,0]=3 860 B8R1.11 CN1CCC[C@@H]1CO 33737 [0,1,0,1,0,0|0,0,0]=2 861 B8R1.11 CN1CCC[C@@H]1CO 33738 [0,1,0,1,0,0|0,0,0]=2 862 B8R1.11 CN1CCC[C@@H]1CO 34380 [0,1,0,1,0,0|0,0,0]=2 863 B8R1.12 OCC1CCC1CO P19699 [0,1,0,1,0,0|0,0,0]=2 864 B8R1.22 C=C1OCCCCO1 A10906 [0,1,0,1,0,0|0,0,2]=4 865 B8R1.22 CN1CCCNCC1 63976 [0,1,0,1,0,0|2,0,0]=4 866 B8R1.22 C[C@H]1CCCNCC1 72644 [0,1,0,1,0,0|1,0,0]=3 867 B8R1.22 ClC1CCCCCC1 D81846 [0,1,0,1,0,0|1,0,0]=3 868 B8R1.22 NC1CCCCCC1 F19821 [0,1,0,1,0,0|1,0,0]=3 869 B8R1.22 N[C@H]1CCCCNC1 51061 [0,1,0,1,0,0|1,0,0]=3 870 B8R1.22 N[C@H]1CCCCNC1 51996 [0,1,0,1,0,0|1,0,0]=3 871 B8R1.22 N[C@H]1CCCCNC1 A56046 [0,1,0,1,0,0|1,0,0]=3 872 B8R1.22 O=C1CCCCCN1 D70254 [0,1,0,1,0,0|0,0,2]=4 873 B8R1.22 O=C1CCCCCO1 D70255 [0,1,0,1,0,0|0,0,1]=3 874 B8R1.22 O=C1CCCNCC1 VT1100 [0,1,0,1,0,0|0,0,2]=4 875 B8R1.22 O=C1CCOCCN1 F13212 [0,1,0,1,0,0|1,0,1]=4 876 B8R1.22 OC1CCCCCC1 D89285 [0,1,0,1,0,0|0,0,0]=2 877 B8R1.22 O[C@H]1CCCNCC1 36657 [0,1,0,1,0,0|0,0,0]=2 878 B8R1.22 O[C@H]1CCCNCC1 62252 [0,1,0,1,0,0|0,0,0]=2 879 B8R1.49 C1=CCCCCCC1 D89499 [0,1,0,1,0,0|1,0,0]=3 880 B8R1.1 CCN1CC[C@H](Cl)C1 D82602 [0,1,0,1,0,0|2,0,0]=4 881 B8R1.1 CCN1CC[C@H](N)C1 P17207 [0,1,0,1,0,0|2,0,0]=4 882 B8R1.1 CCN1CC[C@H](O)C1 F13254 [0,1,0,1,0,0|1,0,0]=3 883 B8R1.1 CC[C@H]1CCC(=O)O1 AC2069 [0,1,0,1,0,0|0,0,1]=3 884 B8R1.1 CN1CC[C@H](CBr)C1 D95610 [0,1,0,1,0,0|2,0,0]=4 885 B8R1.1 CN1CC[C@H](CN)C1 37193 [0,1,0,1,0,0|2,0,0]=4 886 B8R1.1 CN1CC[C@H](CO)C1 71688 [0,1,0,1,0,0|1,0,0]=3 887 B8R1.1 N[C@@H]1C=C[C@H](CO)C1 D70763 [0,1,0,1,0,0|0,0,2]=4 888 B8R1.1 O=C1CC[C@H](CO)N1 65450 [0,1,0,1,0,0|1,0,1]=4 889 B8R1.1 O=C1CC[C@H](CO)N1 65451 [0,1,0,1,0,0|1,0,1]=4 890 B8R1.1 O=C1CC[C@H](CO)N1 78078 [0,1,0,1,0,0|1,0,1]=4 891 B8R1.1 O=C1CC[C@H](CO)O1 60100 [0,1,0,1,0,0|1,0,1]=4 892 B8R1.1 O=C1CC[C@H](CO)O1 60102 [0,1,0,1,0,0|1,0,1]=4 893 B8R1.1 OC[C@@H]1C[C@H](F)CN1 72275 [0,1,0,1,0,0|1,0,0]=3 894 B8R1.1 OC[C@@H]1C[C@H](O)CN1 P18712 [0,1,0,1,0,0|1,0,0]=3 895 B8R1.1 OC[C@H]1C[C@H](O)CN1 62331 [0,1,0,1,0,0|1,0,0]=3 896 B8R1.1 OC[C@H]1C[C@H](O)CN1 P17328 [0,1,0,1,0,0|1,0,0]=3 897 B8R1.3 CC1CCC(=O)CC1 P20542 [0,1,0,1,0,0|0,0,2]=4 898 B8R1.3 CN1CCC(Br)CC1 P10148 [0,1,0,1,0,0|2,0,0]=4 899 B8R1.3 CN1CCC(Cl)CC1 67721 [0,1,0,1,0,0|2,0,0]=4 900 B8R1.3 CN1CCC(Cl)CC1 A10292 [0,1,0,1,0,0|2,0,0]=4 901 B8R1.3 CN1CCC(N)CC1 67755 [0,1,0,1,0,0|2,0,0]=4 902 B8R1.3 CN1CCC(N)CC1 D82382 [0,1,0,1,0,0|2,0,0]=4 903 B8R1.3 CN1CCC(O)CC1 67617 [0,1,0,1,0,0|1,0,0]=3 904 B8R1.3 C[C@H]1CC[C@@H](N)CC1 63819 [0,1,0,1,0,0|1,0,0]=3 905 B8R1.3 C[C@H]1CC[C@H](N)CC1 47228 [0,1,0,1,0,0|1,0,0]=3 906 B8R1.3 C[C@H]1CC[C@H](N)CC1 63820 [0,1,0,1,0,0|1,0,0]=3 907 B8R1.3 C[C@H]1CN[C@H](C)CN1 55797 [0,1,0,1,0,0|2,0,0]=4 908 B8R1.3 NC1CCC(=O)CC1 24439 [0,1,0,1,0,0|0,0,2]=4 909 B8R1.3 NC1CCC(I)CC1 D82897 [0,1,0,1,0,0|1,0,0]=3 910 B8R1.3 NC1CCC(N)CC1 D83402 [0,1,0,1,0,0|1,0,0]=3 911 B8R1.3 NC1CCC(O)CC1 H11365 [0,1,0,1,0,0|0,0,0]=2 912 B8R1.3 NN1CCC(O)CC1 I11452 [0,1,0,1,0,0|1,0,0]=3 913 B8R1.3 N[C@H]1CC[C@@H](N)CC1 D89460 [0,1,0,1,0,0|1,0,0]=3 914 B8R1.3 N[C@H]1CC[C@@H](O)CC1 51986 [0,1,0,1,0,0|0,0,0]=2 915 B8R1.3 N[C@H]1CC[C@@H](O)CC1 F14021 [0,1,0,1,0,0|0,0,0]=2 916 B8R1.3 N[C@H]1CC[C@H](N)CC1 I11239 [0,1,0,1,0,0|1,0,0]=3 917 B8R1.3 N[C@H]1CC[C@H](O)CC1 O12153 [0,1,0,1,0,0|0,0,0]=2 918 B8R1.3 N[C@H]1CC[C@H](O)CC1 P16830 [0,1,0,1,0,0|0,0,0]=2 919 B8R1.3 O=C1CCC(O)CC1 24546 [0,1,0,1,0,0|0,0,1]=3 920 B8R1.3 O=C1CC[C@H](O)CN1 62216 [0,1,0,1,0,0|1,0,1]=4 921 B8R1.3 O=C1CC[C@H](O)CN1 62217 [0,1,0,1,0,0|1,0,1]=4 922 B8R1.3 OC1CCC(O)CC1 TD8009 [0,1,0,1,0,0|0,0,0]=2 923 B8R1.3 OC1COC(O)CO1 38689 [0,1,0,1,0,0|2,0,0]=4 924 B8R1.3 OC1CSC(O)CS1 D71095 [0,1,0,1,0,0|2,0,0]=4 925 B8R1.3 O[C@H]1CC[C@@H](O)CC1 P10063 [0,1,0,1,0,0|0,0,0]=2 926 B8R1.3 O[C@H]1CC[C@H](O)CC1 74160 [0,1,0,1,0,0|0,0,0]=2 927 B8R1.38 O=C(CBr)C1CCC1 P18349 [0,1,0,1,0,0|1,0,1]=4 928 B8R1.50 CN1C(=O)CC[C@@H]1O 33572 [0,1,0,1,0,0|1,0,1]=4 929 B8R1.52 CCC1(O)CCCC1 AC8353 [0,1,0,1,0,0|1,0,0]=3 930 B8R1.52 CC[N+]1(C)CCCC1 D90580 [0,1,0,1,0,0|2,0,0]=4 931 B8R1.52 CC[N+]1(C)CCCC1 RB3140 [0,1,0,1,0,0|2,0,0]=4 932 B8R1.52 C[C@]1(CO)CCCN1 38939 [0,1,0,1,0,0|1,0,0]=3 933 B8R1.52 N#CC1(N)CCCC1 20717 [0,1,0,1,0,0|1,0,1]=4 934 B8R1.52 N#CC1(O)CCCC1 74861 [0,1,0,1,0,0|1,0,1]=4 935 B8R1.52 NC1(CO)CCCC1 29439 [0,1,0,1,0,0|0,0,0]=2 936 B8R1.52 NCC1(O)CCCC1 24513 [0,1,0,1,0,0|1,0,0]=3 937 B8R1.4 CC1CC(O)CCO1 32162 [0,1,0,1,0,0|0,0,0]=2 938 B8R1.4 CC1CCCC(C)N1 F10355 [0,1,0,1,0,0|1,0,0]=3 939 B8R1.4 CC1CCCC(N)C1 33432 [0,1,0,1,0,0|1,0,0]=3 940 B8R1.4 CC1CNCC(C)C1 D77718 [0,1,0,1,0,0|2,0,0]=4 941 B8R1.4 CC1CNCC(C)N1 H11174 [0,1,0,1,0,0|2,0,0]=4 942 B8R1.4 CC1CNCC(C)N1 P15326 [0,1,0,1,0,0|2,0,0]=4 943 B8R1.4 CC1COCC(C)N1 70362 [0,1,0,1,0,0|2,0,0]=4 944 B8R1.4 CN1CCC[C@H](Br)C1 AC1745 [0,1,0,1,0,0|2,0,0]=4 945 B8R1.4 CN1CCC[C@H](N)C1 37172 [0,1,0,1,0,0|2,0,0]=4 946 B8R1.4 CN1CCC[C@H](N)C1 37173 [0,1,0,1,0,0|2,0,0]=4 947 B8R1.4 CN1CCC[C@H](O)C1 37176 [0,1,0,1,0,0|1,0,0]=3 948 B8R1.4 CN1CCC[C@H](O)C1 37177 [0,1,0,1,0,0|1,0,0]=3 949 B8R1.4 CN1CCC[C@H](O)C1 37178 [0,1,0,1,0,0|1,0,0]=3 950 B8R1.4 C[C@H]1CC(=O)CCN1 55931 [0,1,0,1,0,0|1,0,1]=4 951 B8R1.4 C[C@H]1CCCC(=O)C1 33413 [0,1,0,1,0,0|0,0,2]=4 952 B8R1.4 C[C@H]1CCCC(=O)N1 P10077 [0,1,0,1,0,0|0,0,2]=4 953 B8R1.4 C[C@H]1CCCC(=O)O1 D90945 [0,1,0,1,0,0|0,0,1]=3 954 B8R1.4 C[C@H]1CNC[C@@H](C)N1 P10485 [0,1,0,1,0,0|2,0,0]=4 955 B8R1.4 C[C@H]1CNC[C@@H](C)O1 70460 [0,1,0,1,0,0|1,0,0]=3 956 B8R1.4 C[C@H]1CNC[C@H](C)O1 77574 [0,1,0,1,0,0|1,0,0]=3 957 B8R1.4 C[C@H]1C[C@@H](O)CCO1 D78943 [0,1,0,1,0,0|0,0,0]=2 958 B8R1.4 NC1CCCC(N)C1 F14870 [0,1,0,1,0,0|1,0,0]=3 959 B8R1.4 NC1CCCC(O)C1 20373 [0,1,0,1,0,0|0,0,0]=2 960 B8R1.4 NC1CCCC(O)C1 51096 [0,1,0,1,0,0|0,0,0]=2 961 B8R1.4 N[C@H]1CCC[C@@H](N)C1 T70691 [0,1,0,1,0,0|1,0,0]=3 962 B8R1.4 O=C1C[C@@H](O)CCN1 68726 [0,1,0,1,0,0|1,0,1]=4 963 B8R1.4 OC1CCCC(O)C1 F17088 [0,1,0,1,0,0|0,0,0]=2 964 B8R1.6 COC[C@H]1C[C@@H](N)C1 P16184 [0,1,0,1,0,0|2,0,0]=4 965 B8R1.7 CC(=O)C1CCCC1 83754 [0,1,0,1,0,0|0,0,2]=4 966 B8R1.7 CC(C)[C@@H]1CCCN1 AR1076 [0,1,0,1,0,0|1,0,0]=3 967 B8R1.7 C[C@H](N)C1CCCC1 83753 [0,1,0,1,0,0|1,0,0]=3 968 B8R1.7 C[C@H](O)C1CCCC1 W16248 [0,1,0,1,0,0|0,0,0]=2 969 B8R1.7 NC(=O)C1CCCC1 20928 [0,1,0,1,0,0|0,0,2]=4 970 B8R1.7 NC(=O)[C@@H]1CCCO1 30997 [0,1,0,1,0,0|1,0,1]=4 971 B8R1.7 O=C(Cl)C1CCCC1 D89509 [0,1,0,1,0,0|0,0,2]=4 972 B8R1.7 O=C(O)C1CCCC1 34069 [0,1,0,1,0,0|0,0,1]=3 973 B8R1.7 O=C(O)[C@@H]1CCCN1 30759 [0,1,0,1,0,0|1,0,1]=4 974 B8R1.7 O=C(O)[C@@H]1CCCN1 69586 [0,1,0,1,0,0|1,0,1]=4 975 B8R1.7 O=C(O)[C@@H]1CCCN1 P17692 [0,1,0,1,0,0|1,0,1]=4 976 B8R1.7 O=C(O)[C@@H]1CCCO1 30805 [0,1,0,1,0,0|1,0,1]=4 977 B8R1.7 O=C(O)[C@@H]1CCCO1 66521 [0,1,0,1,0,0|1,0,1]=4 978 B8R1.7 O=C(O)[C@@H]1CCCO1 74188 [0,1,0,1,0,0|1,0,1]=4 979 B8R1.7 O=C(O)[C@@H]1CCCS1 72166 [0,1,0,1,0,0|1,0,1]=4 980 B8R1.7 O=C(O)[C@H]1CCNC1 27256 [0,1,0,1,0,0|1,0,1]=4 981 B8R1.7 O=C(O)[C@H]1CCNC1 65300 [0,1,0,1,0,0|1,0,1]=4 982 B8R1.7 O=C(O)[C@H]1CCNC1 65301 [0,1,0,1,0,0|1,0,1]=4 983 B8R1.7 O=C(O)[C@H]1CCNC1 65434 [0,1,0,1,0,0|1,0,1]=4 984 B8R1.7 O=C(O)[C@H]1CCOC1 66518 [0,1,0,1,0,0|1,0,1]=4 985 B8R1.7 OB(O)C1CCCC1 32725 [0,1,0,1,0,0|1,0,0]=3 986 B8R1.19 CC1(C)CCCC1=O F16056 [0,1,0,1,0,0|0,0,2]=4 987 B8R1.19 CC1(C)CCC[C@@H]1O D79629 [0,1,0,1,0,0|0,0,0]=2 988 B8R1.34 O=C(O)CC1CCC1 AB3606 [0,1,0,1,0,0|0,0,1]=3 989 B8R1.35 CC(C)NCC1CC1 D86468 [0,1,0,1,0,0|2,0,0]=4 990 B8R1.35 O=C(O)CCC1CC1 68386 [0,1,0,1,0,0|0,0,1]=3 991 B8R1.72 CC1(C)CCCNC1 52404 [0,1,0,1,0,0|2,0,0]=4 992 B8R1.72 CC1(C)CCNCC1 61353 [0,1,0,1,0,0|2,0,0]=4 993 B8R1.72 CC1(C)CCNCC1 AC8379 [0,1,0,1,0,0|2,0,0]=4 994 B8R1.72 CC1(C)CNCCN1 26348 [0,1,0,1,0,0|2,0,0]=4 995 B8R1.72 CC1(C)CNCCO1 P11839 [0,1,0,1,0,0|1,0,0]=3 996 B8R1.72 CC1(C)COCCN1 25040 [0,1,0,1,0,0|2,0,0]=4 997 B8R1.72 CC1(N)CCCCC1 71329 [0,1,0,1,0,0|1,0,0]=3 998 B8R1.72 CC1(N)CCOCC1 SC1105 [0,1,0,1,0,0|2,0,0]=4 999 B8R1.72 CC1(O)CCCCC1 FD14069 [0,1,0,1,0,0|0,0,0]=2 1000 B8R1.72 CC1(O)CCNCC1 37038 [0,1,0,1,0,0|1,0,0]=3 1001 B8R1.72 CC1(O)CCNCC1 88644 [0,1,0,1,0,0|1,0,0]=3 1002 B8R1.72 C[N+]1(C)CCCCC1 A51057 [0,1,0,1,0,0|2,0,0]=4 1003 B8R1.72 Cl[Si]1(Cl)CCCCC1 C11274 [0,1,0,1,0,0|1,1,0]=4 1004 B8R1.72 FC1(F)CCCNC1 50285 [0,1,0,1,0,0|2,0,0]=4 1005 B8R1.72 FC1(F)CCNCC1 24529 [0,1,0,1,0,0|2,0,0]=4 1006 B8R1.72 O=S1(=O)CCCCO1 36714 [0,1,0,1,0,0|2,0,0]=4 1007 B8R1.72 OC1(O)CCNCC1 67884 [0,1,0,1,0,0|1,0,0]=3 1008 B8R1.37 CCOC(=O)[C@@H]1CO1 F30214 [0,1,0,1,0,0|1,0,1]=4 1009 B8R2.34 C1CC2CCC1N2 25913 [0,0,0,2,0,0|1,0,0]=3 1010 B8R2.34 C1NC2CNC1C2 F18855 [0,0,0,2,0,0|2,0,0]=4 1011 B8R2.34 C1N[C@@H]2CN[C@H]1C2 D90097 [0,0,0,2,0,0|2,0,0]=4 1012 B8R2.34 C1N[C@@H]2CN[C@H]1C2 F18872 [0,0,0,2,0,0|2,0,0]=4 1013 B8R2.34 C1O[C@@H]2CN[C@H]1C2 81400 [0,0,0,2,0,0|1,0,0]=3 1014 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P10179 [0,0,0,2,0,0|1,0,0]=3 1015 B8R2.18 NC1CC2CC2C1 38235 [0,0,0,2,0,0|1,0,0]=3 1016 B8R2.18 OC1CC2CC2C1 80097 [0,0,0,2,0,0|0,0,0]=2 1017 B8R2.18 OC1C[C@@H]2C[C@@H]2C1 68368 [0,0,0,2,0,0|0,0,0]=2 1018 B8R2.25 C1CC2OC2CO1 P11116 [0,0,0,2,0,0|1,0,0]=3 1019 B8R2.38 OC1CCC2CC12 P20622 [0,0,0,2,0,0|0,0,0]=2 1020 B8R2.42 C1CC2(C1)CNC2 37212 [0,0,0,2,0,0|2,0,0]=4