0 B6R0.6 BrCCCCCBr D70772 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.6 BrCCOCCBr 12226 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 C#CCCCCO F10490 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C#CCOCCN C70245 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.6 C#CCOCCO F16468 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.6 C=CCCCCBr F14895 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.6 C=CCCCCCl N11935 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 C=CCCCCO 35574 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.6 C=CCNCC=C AC7931 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.6 C=COCCCN 75654 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.6 CCC#CCCO F11743 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.6 CCCC#CCO D90881 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.6 CCCCCCI F20355 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.6 CCCCCCN F19564 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.6 CCCCCNC D91584 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.6 CCCNCCC D89745 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.6 CCCNCCO C10761 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.6 CCCOCCCl H10822 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.6 CCC\C=C\CO D78301 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.6 CCNCCCN D82016 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.6 CCNCCCO 31655 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.6 CCOCCCCl D95770 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.6 CCOCCCO D95933 [0,0,0,0,0,0|4,0,0]=4 23 B6R0.6 CC\C=C/CCO 73722 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.6 CNCCCCO F10210 [0,0,0,0,0,0|4,0,0]=4 25 B6R0.6 COCCCCBr F13727 [0,0,0,0,0,0|4,0,0]=4 26 B6R0.6 COCCCCCl 28715 [0,0,0,0,0,0|4,0,0]=4 27 B6R0.6 COCCCCO D78159 [0,0,0,0,0,0|4,0,0]=4 28 B6R0.6 ClCCCCCBr S10881 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.6 ClCCCCCI A10955 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.6 ClCCNCCCl 97536 [0,0,0,0,0,0|2,0,0]=2 31 B6R0.6 FCCCCCBr 24471 [0,0,0,0,0,0|3,0,0]=3 32 B6R0.6 ICCCCCI P10001 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.6 ICCOCCI C90294 [0,0,0,0,0,0|3,0,0]=3 34 B6R0.6 N#CCCCCCl 28437 [0,0,0,0,0,0|2,0,2]=4 35 B6R0.6 N#CCCCCN S10714 [0,0,0,0,0,0|1,0,2]=3 36 B6R0.6 N#CCNCC#N AC9124 [0,0,0,0,0,0|0,0,4]=4 37 B6R0.6 N#CCOCCCl 72645 [0,0,0,0,0,0|2,0,2]=4 38 B6R0.6 NCCCCCN D83408 [0,0,0,0,0,0|1,0,0]=1 39 B6R0.6 NCCCCCO I11482 [0,0,0,0,0,0|2,0,0]=2 40 B6R0.6 NCCNCCO D77720 [0,0,0,0,0,0|1,0,0]=1 41 B6R0.6 NCCOCCN 75244 [0,0,0,0,0,0|1,0,0]=1 42 B6R0.6 NCCOCCN 75301 [0,0,0,0,0,0|1,0,0]=1 43 B6R0.6 NCCOCCO C70233 [0,0,0,0,0,0|2,0,0]=2 44 B6R0.6 NCCSCCN FD10524 [0,0,0,0,0,0|1,0,0]=1 45 B6R0.6 O=CCCCCCl C10094 [0,0,0,0,0,0|3,0,1]=4 46 B6R0.6 O=CCCCCO F19841 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.6 OCCCCCBr 23140 [0,0,0,0,0,0|3,0,0]=3 48 B6R0.6 OCCCCCCl O11412 [0,0,0,0,0,0|3,0,0]=3 49 B6R0.6 OCCNCCCl F50591 [0,0,0,0,0,0|2,0,0]=2 50 B6R0.6 OCCNCCO D92250 [0,0,0,0,0,0|2,0,0]=2 51 B6R0.6 OCCOCCBr S10705 [0,0,0,0,0,0|3,0,0]=3 52 B6R0.6 OCCOCCCl D72518 [0,0,0,0,0,0|3,0,0]=3 53 B6R0.6 SCCCCCS D92137 [0,0,0,0,0,0|3,0,0]=3 54 B6R0.6 SCCSCCS D91485 [0,0,0,0,0,0|3,0,0]=3 55 B5R0.2 BrCCCCBr D77910 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.2 C#CCCCC 75209 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.2 C#CCCCCl 76259 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.2 C#CCCCO 32105 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.2 C=CCCCBr 78391 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.2 C=CCCCCl O11411 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.2 C=CCCCN 68255 [1,0,0,0,0,0|1,0,1]=3 62 B5R0.2 C=CCCCN 86153 [1,0,0,0,0,0|1,0,1]=3 63 B5R0.2 C=CCCCO 76184 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.2 CCC#CCO F19221 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.2 CCCCNN F17594 [1,0,0,0,0,0|2,0,0]=3 66 B5R0.2 CCCCON H11431 [1,0,0,0,0,0|2,0,0]=3 67 B5R0.2 CCCNCC F21346 [1,0,0,0,0,0|1,0,0]=2 68 B5R0.2 CCNCCN AB11316 [1,0,0,0,0,0|0,0,0]=1 69 B5R0.2 CCNCCO 20098 [1,0,0,0,0,0|1,0,0]=2 70 B5R0.2 CCOCCCl 29431 [1,0,0,0,0,0|2,0,0]=3 71 B5R0.2 CCSCCCl D89330 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.2 CCSSCC D89662 [1,0,0,0,0,0|3,0,0]=4 73 B5R0.2 CNCCCCl F16501 [1,0,0,0,0,0|3,0,0]=4 74 B5R0.2 CNCCCN 37144 [1,0,0,0,0,0|2,0,0]=3 75 B5R0.2 CNCCCO 36133 [1,0,0,0,0,0|3,0,0]=4 76 B5R0.2 COCCCBr F11235 [1,0,0,0,0,0|3,0,0]=4 77 B5R0.2 COCCCCl H11766 [1,0,0,0,0,0|3,0,0]=4 78 B5R0.2 COCCCN D81053 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.2 COCCNN 72234 [1,0,0,0,0,0|3,0,0]=4 80 B5R0.2 COCCON D82747 [1,0,0,0,0,0|3,0,0]=4 81 B5R0.2 CSCCCO 79218 [1,0,0,0,0,0|3,0,0]=4 82 B5R0.2 CSCCC[NH3+] D91382 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.2 C\C=C/CCC D90857 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.2 ClCCCCBr F11271 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.2 ClCCCCI A10998 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.2 ClCCOCCl 29087 [1,0,0,0,0,0|3,0,0]=4 87 B5R0.2 FCCCCBr D87758 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.2 ICCCCI AC1274 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.2 N#CCCCBr 35256 [1,0,0,0,0,0|1,0,2]=4 90 B5R0.2 N#CCCCCl 20443 [1,0,0,0,0,0|1,0,2]=4 91 B5R0.2 N#CCCNN F12186 [1,0,0,0,0,0|1,0,2]=4 92 B5R0.2 NCCCCBr 24475 [1,0,0,0,0,0|1,0,0]=2 93 B5R0.2 NCCCCN F17678 [1,0,0,0,0,0|0,0,0]=1 94 B5R0.2 NCCCCN N11902 [1,0,0,0,0,0|0,0,0]=1 95 B5R0.2 NCCCCO 51530 [1,0,0,0,0,0|1,0,0]=2 96 B5R0.2 NC\C=C/CCl C11378 [1,0,0,0,0,0|1,0,2]=4 97 B5R0.2 OCCCCBr 54526 [1,0,0,0,0,0|2,0,0]=3 98 B5R0.2 OCCCCCl F11085 [1,0,0,0,0,0|2,0,0]=3 99 B5R0.2 OCCCCI D81265 [1,0,0,0,0,0|2,0,0]=3 100 B5R0.2 OCCNCO D91013 [1,0,0,0,0,0|2,0,0]=3 101 B7R0.1 BrCCCCCCBr D77996 [0,1,0,0,0,0|3,0,0]=4 102 B7R0.1 C#CCCCCCO 35608 [0,1,0,0,0,0|3,0,0]=4 103 B7R0.1 C=CCCCCCBr 34943 [0,1,0,0,0,0|3,0,0]=4 104 B7R0.1 C=CCCCCNC C75624 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.1 CCCCCCCBr D78084 [0,1,0,0,0,0|3,0,0]=4 106 B7R0.1 CCCCCCCI D70828 [0,1,0,0,0,0|3,0,0]=4 107 B7R0.1 CCCCCCCS D90781 [0,1,0,0,0,0|3,0,0]=4 108 B7R0.1 CCCCOCCCl D89363 [0,1,0,0,0,0|3,0,0]=4 109 B7R0.1 CNCCCCNC 29857 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.1 COCCOCCBr AC1298 [0,1,0,0,0,0|3,0,0]=4 111 B7R0.1 COCCOCCN F19842 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.1 COCCOCCO D78002 [0,1,0,0,0,0|3,0,0]=4 113 B7R0.1 ClCCCCCCBr AC1307 [0,1,0,0,0,0|3,0,0]=4 114 B7R0.1 ClCCCCCCI O10399 [0,1,0,0,0,0|3,0,0]=4 115 B7R0.1 ICCCCCCI D78160 [0,1,0,0,0,0|3,0,0]=4 116 B7R0.1 N#CCCCCCBr 76351 [0,1,0,0,0,0|2,0,1]=4 117 B7R0.1 N#CCCCCCN D92992 [0,1,0,0,0,0|1,0,1]=3 118 B7R0.1 NCCCCCCN H11757 [0,1,0,0,0,0|1,0,0]=2 119 B7R0.1 NCCCCCCO 74060 [0,1,0,0,0,0|2,0,0]=3 120 B7R0.1 NCCCNCCBr 37146 [0,1,0,0,0,0|1,0,0]=2 121 B7R0.1 NCCCNCCO 37148 [0,1,0,0,0,0|1,0,0]=2 122 B7R0.1 NCCNCCCO H11394 [0,1,0,0,0,0|1,0,0]=2 123 B7R0.1 NCCSSCCN 28637 [0,1,0,0,0,0|1,0,0]=2 124 B7R0.1 NCC[Se][Se]CCN H10234 [0,1,0,0,0,0|1,0,0]=2 125 B7R0.1 OCCCCCCBr 34408 [0,1,0,0,0,0|3,0,0]=4 126 B7R0.1 OCCCCCCCl D70146 [0,1,0,0,0,0|3,0,0]=4 127 B7R0.1 OCCCCCCS N11988 [0,1,0,0,0,0|3,0,0]=4 128 B7R0.1 SCCCCCCS D90840 [0,1,0,0,0,0|3,0,0]=4 129 B7R0.3 C=CC(=O)NCCN S10694 [0,1,0,0,0,0|1,0,2]=4 130 B7R0.3 CCCC[C@H](Br)CBr D93164 [0,1,0,0,0,0|3,0,0]=4 131 B7R0.3 CCCC[C@H](N)CO A11352 [0,1,0,0,0,0|3,0,0]=4 132 B7R0.3 CCCC[C@H](N)CO N12322 [0,1,0,0,0,0|3,0,0]=4 133 B7R0.3 CCCC[C@H](O)CO F11270 [0,1,0,0,0,0|3,0,0]=4 134 B7R0.3 OCCC[C@H](O)CO T71793 [0,1,0,0,0,0|3,0,0]=4 135 B7R0.4 CC(C)CCCCO D94723 [0,1,0,0,0,0|3,0,0]=4 136 B7R0.4 CCCCCC(N)=O D89187 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.4 CCCCC[C@H](C)N D90921 [0,1,0,0,0,0|2,0,0]=3 138 B7R0.4 CCCCC[C@H](C)O D83253 [0,1,0,0,0,0|3,0,0]=4 139 B7R0.4 CN(C)CCCCN 76925 [0,1,0,0,0,0|3,0,0]=4 140 B7R0.4 C[C@H](O)CNCCN D90833 [0,1,0,0,0,0|1,0,0]=2 141 B7R0.4 C[C@H](O)CNCCO C13406 [0,1,0,0,0,0|2,0,0]=3 142 B7R0.4 NC(=O)COCCCl F15040 [0,1,0,0,0,0|2,0,1]=4 143 B7R0.4 NCCCCC(=O)O 76219 [0,1,0,0,0,0|2,0,1]=4 144 B7R0.4 NCCCCC(=O)O D78140 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.4 NCCOCC(=O)O AT23391 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.4 O=C(O)CNCCO AB10154 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.7 C=CCN(C)CCO D83705 [0,1,0,0,0,0|2,0,1]=4 148 B7R0.7 CCCC(N)CCC 28065 [0,1,0,0,0,0|3,0,0]=4 149 B7R0.7 CCCC(O)CCC H10221 [0,1,0,0,0,0|3,0,0]=4 150 B7R0.7 CCCN(C)CCC D95729 [0,1,0,0,0,0|2,0,0]=3 151 B7R0.7 CCC[C@H](C)CCO T71716 [0,1,0,0,0,0|3,0,0]=4 152 B7R0.7 CCC[C@H](S)CCO D84193 [0,1,0,0,0,0|3,0,0]=4 153 B7R0.7 CCOC(=O)CCN AC7506 [0,1,0,0,0,0|3,0,0]=4 154 B7R0.7 CN(CCCl)CCCl F11444 [0,1,0,0,0,0|2,0,0]=3 155 B7R0.7 CN(CCN)CCN E10179 [0,1,0,0,0,0|0,0,0]=1 156 B7R0.7 O=C(CCCl)CCCl 35039 [0,1,0,0,0,0|3,0,0]=4 157 B7R1.1 BrCC1CCCC1 54494 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.1 BrCC1OCCO1 O10502 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.1 BrC[C@H]1CCCO1 P10030 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.1 ClCC1=NCCN1 34212 [0,0,0,1,0,0|1,0,2]=4 161 B7R1.1 ClCC1OCCO1 H10733 [0,0,0,1,0,0|3,0,0]=4 162 B7R1.1 ClC[C@H]1CCCO1 D78464 [0,0,0,1,0,0|3,0,0]=4 163 B7R1.1 ICC1CCCC1 53338 [0,0,0,1,0,0|3,0,0]=4 164 B7R1.1 N#C[C@@H]1CCCN1 37677 [0,0,0,1,0,0|1,0,2]=4 165 B7R1.1 N#C[C@@H]1CCCN1 37679 [0,0,0,1,0,0|1,0,2]=4 166 B7R1.1 NCC1CCCC1 52183 [0,0,0,1,0,0|2,0,0]=3 167 B7R1.1 NCC1OCCO1 F50673 [0,0,0,1,0,0|2,0,0]=3 168 B7R1.1 NC[C@H]1CCCN1 36336 [0,0,0,1,0,0|1,0,0]=2 169 B7R1.1 NC[C@H]1CCCN1 38156 [0,0,0,1,0,0|1,0,0]=2 170 B7R1.1 NC[C@H]1CCOC1 37315 [0,0,0,1,0,0|3,0,0]=4 171 B7R1.1 NC[C@H]1CCOC1 SC2551 [0,0,0,1,0,0|3,0,0]=4 172 B7R1.1 NNC1=NCCN1 F16789 [0,0,0,1,0,0|1,0,2]=4 173 B7R1.1 NNC1CCCC1 AB1370 [0,0,0,1,0,0|3,0,0]=4 174 B7R1.1 OCC1CCCC1 23321 [0,0,0,1,0,0|3,0,0]=4 175 B7R1.1 OCC1OCCO1 I11345 [0,0,0,1,0,0|3,0,0]=4 176 B7R1.1 OC[C@H]1CCCN1 11146 [0,0,0,1,0,0|2,0,0]=3 177 B7R1.1 OC[C@H]1CCCN1 11148 [0,0,0,1,0,0|2,0,0]=3 178 B7R1.1 OC[C@H]1CCCN1 F10903 [0,0,0,1,0,0|2,0,0]=3 179 B7R1.1 OC[C@H]1CCCO1 D77646 [0,0,0,1,0,0|3,0,0]=4 180 B7R1.1 OC[C@H]1CCCO1 W18447 [0,0,0,1,0,0|3,0,0]=4 181 B7R1.3 BrC1CCCCC1 P19773 [0,0,0,1,0,0|3,0,0]=4 182 B7R1.3 Br[C@H]1CCCNC1 P16558 [0,0,0,1,0,0|2,0,0]=3 183 B7R1.3 Br[C@H]1CCCOC1 26576 [0,0,0,1,0,0|3,0,0]=4 184 B7R1.3 CC1=CCCNC1 39250 [0,0,0,1,0,0|2,0,1]=4 185 B7R1.3 C[C@H]1CCCCN1 64251 [0,0,0,1,0,0|2,0,0]=3 186 B7R1.3 C[C@H]1CCCCN1 64253 [0,0,0,1,0,0|2,0,0]=3 187 B7R1.3 C[C@H]1CCCNC1 79119 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.3 C[C@H]1CCCNC1 N10739 [0,0,0,1,0,0|2,0,0]=3 189 B7R1.3 C[C@H]1CNCCN1 29363 [0,0,0,1,0,0|1,0,0]=2 190 B7R1.3 C[C@H]1CNCCN1 29364 [0,0,0,1,0,0|1,0,0]=2 191 B7R1.3 C[C@H]1CNCCN1 29365 [0,0,0,1,0,0|1,0,0]=2 192 B7R1.3 C[C@H]1CNCCN1 29366 [0,0,0,1,0,0|1,0,0]=2 193 B7R1.3 C[C@H]1CNCCO1 27675 [0,0,0,1,0,0|2,0,0]=3 194 B7R1.3 C[C@H]1CNCCO1 F13092 [0,0,0,1,0,0|2,0,0]=3 195 B7R1.3 C[C@H]1COCCN1 24436 [0,0,0,1,0,0|2,0,0]=3 196 B7R1.3 C[C@H]1COCCN1 25281 [0,0,0,1,0,0|2,0,0]=3 197 B7R1.3 C[C@H]1COCCN1 36208 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.3 C[C@H]1COCCN1 39286 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.3 C[C@H]1COCCN1 63476 [0,0,0,1,0,0|2,0,0]=3 200 B7R1.3 F[C@H]1CCCNC1 37083 [0,0,0,1,0,0|2,0,0]=3 201 B7R1.3 IC1CCCCC1 F20359 [0,0,0,1,0,0|3,0,0]=4 202 B7R1.3 NC1CCNCC1 66081 [0,0,0,1,0,0|3,0,0]=4 203 B7R1.3 NC1CCNCC1 66087 [0,0,0,1,0,0|3,0,0]=4 204 B7R1.3 NC1CCOCC1 66544 [0,0,0,1,0,0|3,0,0]=4 205 B7R1.3 NC1CCOCC1 83442 [0,0,0,1,0,0|3,0,0]=4 206 B7R1.3 NC1CCOCC1 D95622 [0,0,0,1,0,0|3,0,0]=4 207 B7R1.3 NC1CCSCC1 F15695 [0,0,0,1,0,0|3,0,0]=4 208 B7R1.3 NC1CCSCC1 SC1591 [0,0,0,1,0,0|3,0,0]=4 209 B7R1.3 NN1CCCCC1 77856 [0,0,0,1,0,0|3,0,0]=4 210 B7R1.3 NN1CCCCC1 78303 [0,0,0,1,0,0|3,0,0]=4 211 B7R1.3 N[C@H]1CCCNC1 51800 [0,0,0,1,0,0|1,0,0]=2 212 B7R1.3 N[C@H]1CCCNC1 51802 [0,0,0,1,0,0|1,0,0]=2 213 B7R1.3 N[C@H]1CCCNC1 51816 [0,0,0,1,0,0|1,0,0]=2 214 B7R1.3 N[C@H]1CCCNC1 D77676 [0,0,0,1,0,0|1,0,0]=2 215 B7R1.3 N[C@H]1CCCOC1 53314 [0,0,0,1,0,0|2,0,0]=3 216 B7R1.3 N[C@H]1CCCOC1 69737 [0,0,0,1,0,0|2,0,0]=3 217 B7R1.3 N[C@H]1CCCOC1 P10539 [0,0,0,1,0,0|2,0,0]=3 218 B7R1.3 O=C1CCCCN1 F10312 [0,0,0,1,0,0|2,0,1]=4 219 B7R1.3 O=C1CCCNC1 36189 [0,0,0,1,0,0|2,0,1]=4 220 B7R1.3 O=C1CCCNC1 65124 [0,0,0,1,0,0|2,0,1]=4 221 B7R1.3 O=C1CNCCN1 65258 [0,0,0,1,0,0|1,0,1]=3 222 B7R1.3 O=C1COCCN1 35814 [0,0,0,1,0,0|2,0,1]=4 223 B7R1.3 O[C@@H]1CCCCO1 F19855 [0,0,0,1,0,0|3,0,0]=4 224 B7R1.3 O[C@H]1CCCNC1 29155 [0,0,0,1,0,0|2,0,0]=3 225 B7R1.3 O[C@H]1CCCNC1 29156 [0,0,0,1,0,0|2,0,0]=3 226 B7R1.3 O[C@H]1CCCNC1 29157 [0,0,0,1,0,0|2,0,0]=3 227 B7R1.3 O[C@H]1CCCNC1 37164 [0,0,0,1,0,0|2,0,0]=3 228 B7R1.3 O[C@H]1CCCNC1 67738 [0,0,0,1,0,0|2,0,0]=3 229 B7R1.3 O[C@H]1CCCNC1 P10773 [0,0,0,1,0,0|2,0,0]=3 230 B7R1.3 O[C@H]1CCCOC1 25828 [0,0,0,1,0,0|3,0,0]=4 231 B7R1.4 NC1CCCC1O 25425 [0,0,0,1,0,0|2,0,0]=3 232 B7R1.4 N[C@@H]1CCC[C@@H]1O 26214 [0,0,0,1,0,0|2,0,0]=3 233 B7R1.4 N[C@@H]1CCC[C@@H]1O 35677 [0,0,0,1,0,0|2,0,0]=3 234 B7R1.4 N[C@@H]1CCC[C@@H]1O P18490 [0,0,0,1,0,0|2,0,0]=3 235 B7R1.4 N[C@H]1CCC[C@@H]1O 28945 [0,0,0,1,0,0|2,0,0]=3 236 B7R1.4 N[C@H]1CCC[C@@H]1O 34523 [0,0,0,1,0,0|2,0,0]=3 237 B7R1.4 N[C@H]1CCC[C@@H]1O P15627 [0,0,0,1,0,0|2,0,0]=3 238 B7R1.4 N[C@H]1COC[C@@H]1O 72165 [0,0,0,1,0,0|2,0,0]=3 239 B7R1.4 OC1CCCC1O 31469 [0,0,0,1,0,0|3,0,0]=4 240 B7R1.4 O[C@H]1CCC[C@@H]1Cl AC7912 [0,0,0,1,0,0|3,0,0]=4 241 B7R1.4 O[C@H]1CCC[C@@H]1O AC7934 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.4 O[C@H]1CNC[C@@H]1F 72841 [0,0,0,1,0,0|2,0,0]=3 243 B7R1.4 O[C@H]1CNC[C@@H]1O 27317 [0,0,0,1,0,0|2,0,0]=3 244 B7R1.4 O[C@H]1CNC[C@@H]1O 38821 [0,0,0,1,0,0|2,0,0]=3 245 B7R1.4 O[C@H]1CNC[C@H]1O 38822 [0,0,0,1,0,0|2,0,0]=3 246 B7R1.4 O[C@H]1COC[C@@H]1O 53260 [0,0,0,1,0,0|3,0,0]=4 247 B7R1.6 COC[C@H]1CCN1 P13481 [0,0,0,1,0,0|3,0,0]=4 248 B7R1.6 COC[C@H]1CCN1 P14494 [0,0,0,1,0,0|3,0,0]=4 249 B7R1.6 N#CCN1CCC1 D79160 [0,0,0,1,0,0|1,0,2]=4 250 B7R1.6 NCCN1CCC1 P15319 [0,0,0,1,0,0|1,0,0]=2 251 B7R1.6 NNCC1CCC1 D93648 [0,0,0,1,0,0|3,0,0]=4 252 B7R1.24 C1CNCCNC1 F10906 [0,0,0,1,0,0|1,0,0]=2 253 B7R1.24 C1CNCCOC1 31105 [0,0,0,1,0,0|2,0,0]=3 254 B4R0.2 C#CCNC 76738 [2,0,0,0,0,0|1,0,1]=4 255 B4R0.2 C=CCCC FD10489 [2,0,0,0,0,0|1,0,1]=4 256 B4R0.2 C=CCCN 68196 [2,0,0,0,0,0|0,0,2]=4 257 B4R0.2 C=CCNC F21270 [2,0,0,0,0,0|1,0,1]=4 258 B4R0.2 C=CCNN 72911 [2,0,0,0,0,0|1,0,1]=4 259 B4R0.2 CCCNC A10770 [2,0,0,0,0,0|1,0,0]=3 260 B4R0.2 CCCNN C10870 [2,0,0,0,0,0|1,0,0]=3 261 B4R0.2 CCNC=O F19558 [2,0,0,0,0,0|1,0,1]=4 262 B4R0.2 CCNCC D78025 [2,0,0,0,0,0|0,0,0]=2 263 B4R0.2 CCNCC D89842 [2,0,0,0,0,0|0,0,0]=2 264 B4R0.2 CCNCC D90318 [2,0,0,0,0,0|0,0,0]=2 265 B4R0.2 CCNOC D80678 [2,0,0,0,0,0|1,0,0]=3 266 B4R0.2 CCOCCl D89215 [2,0,0,0,0,0|2,0,0]=4 267 B4R0.2 CNCC#N 36732 [2,0,0,0,0,0|0,0,2]=4 268 B4R0.2 CNCCBr F13405 [2,0,0,0,0,0|1,0,0]=3 269 B4R0.2 CNCCCl 71064 [2,0,0,0,0,0|1,0,0]=3 270 B4R0.2 CNCCN D76853 [2,0,0,0,0,0|0,0,0]=2 271 B4R0.2 CNCCN SC1801 [2,0,0,0,0,0|0,0,0]=2 272 B4R0.2 COCCBr P19803 [2,0,0,0,0,0|2,0,0]=4 273 B4R0.2 COCCN F14847 [2,0,0,0,0,0|1,0,0]=3 274 B4R0.2 CSCCBr 79497 [2,0,0,0,0,0|2,0,0]=4 275 B4R0.2 CSCCO 28828 [2,0,0,0,0,0|2,0,0]=4 276 B4R0.2 C\C=C/CC D91891 [2,0,0,0,0,0|1,0,1]=4 277 B4R0.2 ClCCCI AC1314 [2,0,0,0,0,0|2,0,0]=4 278 B4R0.2 FCCCI S11237 [2,0,0,0,0,0|2,0,0]=4 279 B4R0.2 ICCCI A10836 [2,0,0,0,0,0|2,0,0]=4 280 B4R0.2 N#CCCN D77355 [2,0,0,0,0,0|0,0,2]=4 281 B4R0.2 NCCCBr AC7868 [2,0,0,0,0,0|1,0,0]=3 282 B4R0.2 NCCCCl D70608 [2,0,0,0,0,0|1,0,0]=3 283 B4R0.2 NCCCO D77871 [2,0,0,0,0,0|1,0,0]=3 284 B4R0.2 NCCON SC1781 [2,0,0,0,0,0|1,0,0]=3 285 B4R0.2 NNCCO D77684 [2,0,0,0,0,0|1,0,0]=3 286 B4R0.2 NOCCO 32348 [2,0,0,0,0,0|2,0,0]=4 287 B4R0.2 OCCCBr 36754 [2,0,0,0,0,0|2,0,0]=4 288 B4R0.2 OCCCF 61100 [2,0,0,0,0,0|2,0,0]=4 289 B4R0.2 OCCCI 75858 [2,0,0,0,0,0|2,0,0]=4 290 B4R0.2 SCCCS F20376 [2,0,0,0,0,0|2,0,0]=4 291 B6R0.1 CCCC(=O)CC D90801 [1,1,0,0,0,0|2,0,0]=4 292 B6R0.1 CCC[C@@H](Cl)CC D76318 [1,1,0,0,0,0|2,0,0]=4 293 B6R0.1 CCC[C@H](C)CCl D89415 [1,1,0,0,0,0|2,0,0]=4 294 B6R0.1 CCC[C@H](N)CO A10468 [1,1,0,0,0,0|2,0,0]=4 295 B6R0.1 CCC[C@H](O)CO 73676 [1,1,0,0,0,0|2,0,0]=4 296 B6R0.1 CCNC(=S)NN D97435 [1,1,0,0,0,0|1,0,1]=4 297 B6R0.1 CCOC(=O)CN C93496 [1,1,0,0,0,0|1,0,1]=4 298 B6R0.1 CCO[C@@H](C)CC D88933 [1,1,0,0,0,0|2,0,0]=4 299 B6R0.1 COC(=O)CCN S12362 [1,1,0,0,0,0|2,0,0]=4 300 B6R0.1 C[C@H](CO)CCN 78036 [1,1,0,0,0,0|1,0,0]=3 301 B6R0.1 C[C@H](CO)CCO 63982 [1,1,0,0,0,0|2,0,0]=4 302 B6R0.1 C[C@H](CO)CCO 70021 [1,1,0,0,0,0|2,0,0]=4 303 B6R0.1 OCC[C@H](O)CCl D94503 [1,1,0,0,0,0|2,0,0]=4 304 B6R0.1 OCC[C@H](O)CO 56159 [1,1,0,0,0,0|2,0,0]=4 305 B6R0.1 OCC[C@H](O)CO 56160 [1,1,0,0,0,0|2,0,0]=4 306 B6R0.1 OCC[C@H](O)CO AC2226 [1,1,0,0,0,0|2,0,0]=4 307 B6R0.1 O[C@H](CBr)CCBr F14612 [1,1,0,0,0,0|2,0,0]=4 308 B6R0.4 C=C(C)CNCC D95542 [1,1,0,0,0,0|1,0,1]=4 309 B6R0.4 CC(=O)NCCN D70867 [1,1,0,0,0,0|0,0,1]=3 310 B6R0.4 CC(=O)NCCO FD10637 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.4 CC(=O)NCCS AT13754 [1,1,0,0,0,0|1,0,1]=4 312 B6R0.4 CC(C)CCCBr O10389 [1,1,0,0,0,0|2,0,0]=4 313 B6R0.4 CC(C)CCCO F20439 [1,1,0,0,0,0|2,0,0]=4 314 B6R0.4 CC(C)NCCCl 20398 [1,1,0,0,0,0|1,0,0]=3 315 B6R0.4 CC(C)NCCO D78491 [1,1,0,0,0,0|1,0,0]=3 316 B6R0.4 CCCCC(=N)N 31933 [1,1,0,0,0,0|1,0,1]=4 317 B6R0.4 CCCCC(=N)N W16181 [1,1,0,0,0,0|1,0,1]=4 318 B6R0.4 CCCCC(N)=O A10835 [1,1,0,0,0,0|1,0,1]=4 319 B6R0.4 CCCNC(C)=O D97464 [1,1,0,0,0,0|1,0,1]=4 320 B6R0.4 CCCNC(N)=S D86341 [1,1,0,0,0,0|1,0,1]=4 321 B6R0.4 CCOCC(C)C D93520 [1,1,0,0,0,0|2,0,0]=4 322 B6R0.4 C[C@H](Br)CCCBr F14613 [1,1,0,0,0,0|2,0,0]=4 323 B6R0.4 C[C@H](O)CCCO 22874 [1,1,0,0,0,0|2,0,0]=4 324 B6R0.4 N=C(N)SCCN D88373 [1,1,0,0,0,0|1,0,1]=4 325 B6R0.4 NC(=O)NCCO C10765 [1,1,0,0,0,0|1,0,1]=4 326 B6R0.4 NCCCC(=O)O D70585 [1,1,0,0,0,0|1,0,1]=4 327 B6R0.4 NCCNC(N)=O D83060 [1,1,0,0,0,0|0,0,1]=3 328 B8R0.4 CCCCCCCCN D91873 [0,2,0,0,0,0|2,0,0]=4 329 B8R0.4 CCCCCCCCN D91878 [0,2,0,0,0,0|2,0,0]=4 330 B8R0.4 CCCCCCCNC D82019 [0,2,0,0,0,0|2,0,0]=4 331 B8R0.4 COCCNCCOC F11888 [0,2,0,0,0,0|2,0,0]=4 332 B8R0.4 COCCOCCCN A10954 [0,2,0,0,0,0|2,0,0]=4 333 B8R0.4 NCCCCCCCN O11823 [0,2,0,0,0,0|1,0,0]=3 334 B8R0.4 NCCCOCCCN T70571 [0,2,0,0,0,0|1,0,0]=3 335 B8R0.4 OCCCNCCCO O10901 [0,2,0,0,0,0|2,0,0]=4 336 B8R0.6 NCCCC[C@H](N)CO F52525 [0,2,0,0,0,0|1,0,0]=3 337 B8R0.7 CCCCCCC(N)=O D93021 [0,2,0,0,0,0|2,0,0]=4 338 B8R0.7 N=C(N)NCCCCN 41225 [0,2,0,0,0,0|1,0,1]=4 339 B8R0.7 N=C(N)NCCCCN 52136 [0,2,0,0,0,0|1,0,1]=4 340 B8R0.7 N=C(N)NCCCCN C10463 [0,2,0,0,0,0|1,0,1]=4 341 B8R0.7 NC(=O)CCCCCBr 74914 [0,2,0,0,0,0|2,0,0]=4 342 B8R0.7 NCCNCCC(=O)[O-] F16459 [0,2,0,0,0,0|1,0,0]=3 343 B8R0.7 O=C(O)CCNCCO D94998 [0,2,0,0,0,0|2,0,0]=4 344 B8R0.8 CC(C)C(=O)NCCN D86303 [0,2,0,0,0,0|1,0,1]=4 345 B8R0.11 CCCC[C@H](CC)CN D90440 [0,2,0,0,0,0|2,0,0]=4 346 B8R0.21 OCCNCC(F)(F)F A11695 [0,2,0,0,0,0|2,0,0]=4 347 B8R0.28 CC(C)CNCC(C)C D89689 [0,2,0,0,0,0|2,0,0]=4 348 B8R0.22 CCCN(C=O)CCC D70355 [0,2,0,0,0,0|2,0,0]=4 349 B8R0.22 CCCN(CCC)N=O D91709 [0,2,0,0,0,0|2,0,0]=4 350 B6R1.1 C1=CCNCC1 37471 [1,0,0,1,0,0|1,0,1]=4 351 B6R1.1 C1=CCNCC1 AB7774 [1,0,0,1,0,0|1,0,1]=4 352 B6R1.1 C1CCNCC1 D77674 [1,0,0,1,0,0|1,0,0]=3 353 B6R1.1 C1CCNNC1 AB2862 [1,0,0,1,0,0|0,0,0]=2 354 B6R1.1 C1CCONC1 72394 [1,0,0,1,0,0|1,0,0]=3 355 B6R1.1 C1CCSCC1 D78391 [1,0,0,1,0,0|2,0,0]=4 356 B6R1.1 C1CNCCN1 D97840 [1,0,0,1,0,0|0,0,0]=2 357 B6R1.1 C1COCCN1 D70343 [1,0,0,1,0,0|1,0,0]=3 358 B6R1.1 C1COCCN1 D95446 [1,0,0,1,0,0|1,0,0]=3 359 B6R1.1 C1COCCN1 F14226 [1,0,0,1,0,0|1,0,0]=3 360 B6R1.1 C1CSCCN1 P10015 [1,0,0,1,0,0|1,0,0]=3 361 B6R1.1 C1CSCCO1 D87969 [1,0,0,1,0,0|2,0,0]=4 362 B6R1.2 Br[C@H]1CCNC1 23535 [1,0,0,1,0,0|1,0,0]=3 363 B6R1.2 Br[C@H]1CCOC1 25079 [1,0,0,1,0,0|2,0,0]=4 364 B6R1.2 CC1=NCCN1 S11926 [1,0,0,1,0,0|0,0,2]=4 365 B6R1.2 C[C@H]1CCCN1 11755 [1,0,0,1,0,0|1,0,0]=3 366 B6R1.2 C[C@H]1CCCN1 23331 [1,0,0,1,0,0|1,0,0]=3 367 B6R1.2 C[C@H]1CCCN1 64834 [1,0,0,1,0,0|1,0,0]=3 368 B6R1.2 C[C@H]1CCCN1 64835 [1,0,0,1,0,0|1,0,0]=3 369 B6R1.2 C[C@H]1CCCN1 64836 [1,0,0,1,0,0|1,0,0]=3 370 B6R1.2 C[C@H]1CCCS1 TD8134 [1,0,0,1,0,0|2,0,0]=4 371 B6R1.2 C[C@H]1CCNC1 69325 [1,0,0,1,0,0|1,0,0]=3 372 B6R1.2 C[C@H]1CCNC1 69329 [1,0,0,1,0,0|1,0,0]=3 373 B6R1.2 C[C@H]1CCOC1 F16704 [1,0,0,1,0,0|2,0,0]=4 374 B6R1.2 F[C@H]1CCNC1 26948 [1,0,0,1,0,0|1,0,0]=3 375 B6R1.2 F[C@H]1CCNC1 37160 [1,0,0,1,0,0|1,0,0]=3 376 B6R1.2 F[C@H]1CCNC1 83419 [1,0,0,1,0,0|1,0,0]=3 377 B6R1.2 IC1CCCC1 P10039 [1,0,0,1,0,0|2,0,0]=4 378 B6R1.2 I[C@H]1CCOC1 82009 [1,0,0,1,0,0|2,0,0]=4 379 B6R1.2 NC1=NCCC1 23751 [1,0,0,1,0,0|0,0,2]=4 380 B6R1.2 NC1CC=CC1 66023 [1,0,0,1,0,0|1,0,1]=4 381 B6R1.2 NC1CCCC1 22312 [1,0,0,1,0,0|1,0,0]=3 382 B6R1.2 N[C@H]1CCNC1 41400 [1,0,0,1,0,0|0,0,0]=2 383 B6R1.2 N[C@H]1CCNC1 52206 [1,0,0,1,0,0|0,0,0]=2 384 B6R1.2 N[C@H]1CCNC1 70366 [1,0,0,1,0,0|0,0,0]=2 385 B6R1.2 N[C@H]1CCNC1 N12040 [1,0,0,1,0,0|0,0,0]=2 386 B6R1.2 N[C@H]1CCNC1 S10941 [1,0,0,1,0,0|0,0,0]=2 387 B6R1.2 N[C@H]1CCNC1 T70189 [1,0,0,1,0,0|0,0,0]=2 388 B6R1.2 N[C@H]1CCOC1 24756 [1,0,0,1,0,0|1,0,0]=3 389 B6R1.2 N[C@H]1CCOC1 29281 [1,0,0,1,0,0|1,0,0]=3 390 B6R1.2 N[C@H]1CCOC1 37020 [1,0,0,1,0,0|1,0,0]=3 391 B6R1.2 N[C@H]1CCOC1 37021 [1,0,0,1,0,0|1,0,0]=3 392 B6R1.2 N[C@H]1CCOC1 53315 [1,0,0,1,0,0|1,0,0]=3 393 B6R1.2 N[C@H]1CCOC1 SC1299 [1,0,0,1,0,0|1,0,0]=3 394 B6R1.2 O=C1CCCN1 D95709 [1,0,0,1,0,0|1,0,1]=4 395 B6R1.2 O=C1CCCN1 D96808 [1,0,0,1,0,0|1,0,1]=4 396 B6R1.2 O=C1CCNC1 65410 [1,0,0,1,0,0|1,0,1]=4 397 B6R1.2 O=C1NCCN1 D71145 [1,0,0,1,0,0|1,0,1]=4 398 B6R1.2 O[C@@H]1CCCO1 31275 [1,0,0,1,0,0|2,0,0]=4 399 B6R1.2 O[C@H]1CCNC1 29173 [1,0,0,1,0,0|1,0,0]=3 400 B6R1.2 O[C@H]1CCNC1 29174 [1,0,0,1,0,0|1,0,0]=3 401 B6R1.2 O[C@H]1CCNC1 29175 [1,0,0,1,0,0|1,0,0]=3 402 B6R1.2 O[C@H]1CCNC1 38203 [1,0,0,1,0,0|1,0,0]=3 403 B6R1.2 O[C@H]1CCNC1 62968 [1,0,0,1,0,0|1,0,0]=3 404 B6R1.2 O[C@H]1CCNC1 62970 [1,0,0,1,0,0|1,0,0]=3 405 B6R1.2 O[C@H]1CCOC1 37369 [1,0,0,1,0,0|2,0,0]=4 406 B6R1.2 O[C@H]1CCOC1 66692 [1,0,0,1,0,0|2,0,0]=4 407 B6R1.2 O[C@H]1CCOC1 66694 [1,0,0,1,0,0|2,0,0]=4 408 B6R1.2 O[C@H]1CCSC1 W10543 [1,0,0,1,0,0|2,0,0]=4 409 B6R1.2 O[C@H]1CNOC1 31853 [1,0,0,1,0,0|2,0,0]=4 410 B6R1.2 S=C1CCCN1 D95546 [1,0,0,1,0,0|1,0,1]=4 411 B6R1.2 S=C1NCCN1 A10690 [1,0,0,1,0,0|1,0,1]=4 412 B6R1.2 SC1CCCC1 D89300 [1,0,0,1,0,0|2,0,0]=4 413 B6R1.3 BrCC[C@H]1CO1 30763 [1,0,0,1,0,0|2,0,0]=4 414 B6R1.3 CCNC1CC1 AC2514 [1,0,0,1,0,0|1,0,0]=3 415 B6R1.3 CCNC1CC1 F20037 [1,0,0,1,0,0|1,0,0]=3 416 B6R1.3 NCCC1CC1 38310 [1,0,0,1,0,0|1,0,0]=3 417 B6R1.3 NCCC1CC1 AB6939 [1,0,0,1,0,0|1,0,0]=3 418 B6R1.3 NNCC1CC1 BL010401 [1,0,0,1,0,0|2,0,0]=4 419 B6R1.3 OCCC1CC1 35626 [1,0,0,1,0,0|2,0,0]=4 420 B6R1.3 OCCN1CC1 52820 [1,0,0,1,0,0|1,0,0]=3 421 B6R1.6 BrCC1CCC1 55311 [1,0,0,1,0,0|2,0,0]=4 422 B6R1.6 ICC1CCC1 P15852 [1,0,0,1,0,0|2,0,0]=4 423 B6R1.6 IC[C@H]1CCO1 30641 [1,0,0,1,0,0|2,0,0]=4 424 B6R1.6 NCC1CCC1 33345 [1,0,0,1,0,0|1,0,0]=3 425 B6R1.6 NCC1CCC1 35685 [1,0,0,1,0,0|1,0,0]=3 426 B6R1.6 NCC1COC1 66389 [1,0,0,1,0,0|2,0,0]=4 427 B6R1.6 NCC1COC1 F14274 [1,0,0,1,0,0|2,0,0]=4 428 B6R1.6 NC[C@H]1CCO1 32892 [1,0,0,1,0,0|1,0,0]=3 429 B6R1.6 OCC1CCC1 24520 [1,0,0,1,0,0|2,0,0]=4 430 B8R1.2 CC[C@H]1CCCCN1 D90478 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.2 CC[C@H]1COCCN1 F13094 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.2 CC[C@H]1COCCN1 F17622 [0,1,0,1,0,0|2,0,0]=4 433 B8R1.2 CC[C@H]1COCCN1 FD6007 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.2 CN[C@H]1CCCNC1 33739 [0,1,0,1,0,0|1,0,0]=3 435 B8R1.2 CO[C@H]1CCCNC1 32736 [0,1,0,1,0,0|2,0,0]=4 436 B8R1.2 CO[C@H]1CCCNC1 32744 [0,1,0,1,0,0|2,0,0]=4 437 B8R1.2 CO[C@H]1CCCNC1 37169 [0,1,0,1,0,0|2,0,0]=4 438 B8R1.2 CO[C@H]1CCCNC1 37171 [0,1,0,1,0,0|2,0,0]=4 439 B8R1.2 CO[C@H]1CCCNC1 AB7412 [0,1,0,1,0,0|2,0,0]=4 440 B8R1.2 ClC[C@H]1CNCCO1 50754 [0,1,0,1,0,0|2,0,0]=4 441 B8R1.2 N#CC1CCCCN1 37817 [0,1,0,1,0,0|1,0,1]=4 442 B8R1.2 N#C[C@@H]1CNCCN1 27550 [0,1,0,1,0,0|0,0,1]=3 443 B8R1.2 N#C[C@H]1CCCNC1 82699 [0,1,0,1,0,0|1,0,1]=4 444 B8R1.2 N#C[C@H]1CCCNC1 83525 [0,1,0,1,0,0|1,0,1]=4 445 B8R1.2 NCC1CCCCC1 FD10556 [0,1,0,1,0,0|2,0,0]=4 446 B8R1.2 NCC1CCNCC1 20503 [0,1,0,1,0,0|2,0,0]=4 447 B8R1.2 NCC1CCOCC1 51888 [0,1,0,1,0,0|2,0,0]=4 448 B8R1.2 NCC1CCOCC1 AB1593 [0,1,0,1,0,0|2,0,0]=4 449 B8R1.2 NC[C@H]1CCCCN1 F13324 [0,1,0,1,0,0|1,0,0]=3 450 B8R1.2 NC[C@H]1CCCCO1 29695 [0,1,0,1,0,0|2,0,0]=4 451 B8R1.2 NC[C@H]1CCCNC1 51408 [0,1,0,1,0,0|1,0,0]=3 452 B8R1.2 NC[C@H]1CCCNC1 AB01087 [0,1,0,1,0,0|1,0,0]=3 453 B8R1.2 NC[C@H]1CCCOC1 P10450 [0,1,0,1,0,0|2,0,0]=4 454 B8R1.2 NC[C@H]1CNCCO1 30960 [0,1,0,1,0,0|1,0,0]=3 455 B8R1.2 NC[C@H]1COCCO1 P10401 [0,1,0,1,0,0|2,0,0]=4 456 B8R1.2 NNC1CCCCC1 74084 [0,1,0,1,0,0|2,0,0]=4 457 B8R1.2 NNC1CCCCC1 BL010400 [0,1,0,1,0,0|2,0,0]=4 458 B8R1.2 NO[C@@H]1CCCCO1 FD1322 [0,1,0,1,0,0|2,0,0]=4 459 B8R1.2 OC[C@H]1CCCCN1 23778 [0,1,0,1,0,0|2,0,0]=4 460 B8R1.2 OC[C@H]1CCCCN1 25116 [0,1,0,1,0,0|2,0,0]=4 461 B8R1.2 OC[C@H]1CCCCN1 39317 [0,1,0,1,0,0|2,0,0]=4 462 B8R1.2 OC[C@H]1CCCCN1 69389 [0,1,0,1,0,0|2,0,0]=4 463 B8R1.2 OC[C@H]1CCCNC1 20066 [0,1,0,1,0,0|2,0,0]=4 464 B8R1.2 OC[C@H]1CCCNC1 25088 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.2 OC[C@H]1CCCNC1 32724 [0,1,0,1,0,0|2,0,0]=4 466 B8R1.2 OC[C@H]1CNCCN1 I11548 [0,1,0,1,0,0|1,0,0]=3 467 B8R1.2 OC[C@H]1CNCCO1 AB7650 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.2 OC[C@H]1CNCCO1 S11136 [0,1,0,1,0,0|2,0,0]=4 469 B8R1.2 OC[C@H]1CNCCO1 SC3861 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.2 OC[C@H]1COCCN1 25766 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.2 OC[C@H]1COCCN1 26437 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.2 OC[C@H]1COCCN1 62952 [0,1,0,1,0,0|2,0,0]=4 473 B8R1.2 ONC1CCCCC1 77599 [0,1,0,1,0,0|2,0,0]=4 474 B8R1.2 ONC1CCCCC1 77600 [0,1,0,1,0,0|2,0,0]=4 475 B8R1.5 CN1CCNCC1=O 26900 [0,1,0,1,0,0|1,0,1]=4 476 B8R1.5 CN1CCNCC1=O 37505 [0,1,0,1,0,0|1,0,1]=4 477 B8R1.5 C[C@@H]1NCCNC1=O 20377 [0,1,0,1,0,0|1,0,1]=4 478 B8R1.5 C[C@@H]1NCCNC1=O 20378 [0,1,0,1,0,0|1,0,1]=4 479 B8R1.5 C[C@@H]1NCCNC1=O F31149 [0,1,0,1,0,0|1,0,1]=4 480 B8R1.5 C[C@H]1CCCC[C@@H]1N S11914 [0,1,0,1,0,0|2,0,0]=4 481 B8R1.5 C[C@H]1CNCCC1=O 63757 [0,1,0,1,0,0|2,0,0]=4 482 B8R1.5 C[C@H]1CNCCC1=O 67436 [0,1,0,1,0,0|2,0,0]=4 483 B8R1.5 C[C@H]1CNCCN1C 38274 [0,1,0,1,0,0|1,0,0]=3 484 B8R1.5 C[C@H]1CNCCN1C P11797 [0,1,0,1,0,0|1,0,0]=3 485 B8R1.5 NC1CCCCC1O AB10042 [0,1,0,1,0,0|2,0,0]=4 486 B8R1.5 N[C@@H]1CCCC[C@@H]1O 67886 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.5 N[C@@H]1CCCC[C@@H]1O 67887 [0,1,0,1,0,0|2,0,0]=4 488 B8R1.5 N[C@@H]1CCCC[C@@H]1O A51241 [0,1,0,1,0,0|2,0,0]=4 489 B8R1.5 N[C@H]1CCCC[C@@H]1N 28367 [0,1,0,1,0,0|1,0,0]=3 490 B8R1.5 N[C@H]1CCCC[C@@H]1N 28369 [0,1,0,1,0,0|1,0,0]=3 491 B8R1.5 N[C@H]1CCCC[C@@H]1N F16348 [0,1,0,1,0,0|1,0,0]=3 492 B8R1.5 N[C@H]1CCCC[C@@H]1O 22869 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.5 N[C@H]1CCCC[C@@H]1O 28325 [0,1,0,1,0,0|2,0,0]=4 494 B8R1.5 N[C@H]1CCCC[C@@H]1O 67740 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.5 N[C@H]1CCCC[C@@H]1O 67741 [0,1,0,1,0,0|2,0,0]=4 496 B8R1.5 N[C@H]1CCCC[C@@H]1O 74387 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.5 N[C@H]1CCCC[C@@H]1O H10809 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.5 N[C@H]1CCCC[C@H]1N 11201 [0,1,0,1,0,0|1,0,0]=3 499 B8R1.5 N[C@H]1CCCNC1=O 23329 [0,1,0,1,0,0|1,0,1]=4 500 B8R1.5 N[C@H]1CCCNC1=O 27952 [0,1,0,1,0,0|1,0,1]=4 501 B8R1.5 N[C@H]1CCCNC1=O 51547 [0,1,0,1,0,0|1,0,1]=4 502 B8R1.5 N[C@H]1COCC[C@@H]1O 38320 [0,1,0,1,0,0|2,0,0]=4 503 B8R1.5 N[C@H]1COCC[C@@H]1O 39243 [0,1,0,1,0,0|2,0,0]=4 504 B8R1.5 N[C@H]1COCC[C@@H]1O P19738 [0,1,0,1,0,0|2,0,0]=4 505 B8R1.5 N[C@H]1COCC[C@@H]1O W11754 [0,1,0,1,0,0|2,0,0]=4 506 B8R1.5 O=C1CCNC[C@@H]1F 30735 [0,1,0,1,0,0|2,0,0]=4 507 B8R1.5 O[C@H]1CNCC[C@@H]1F 37697 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.8 BrCCN1CCCC1 54542 [0,1,0,1,0,0|2,0,0]=4 509 B8R1.8 CCCC1=NCCN1 D92082 [0,1,0,1,0,0|1,0,1]=4 510 B8R1.8 CNC[C@H]1CCCN1 P18037 [0,1,0,1,0,0|1,0,0]=3 511 B8R1.8 COC[C@H]1CCCN1 11150 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.8 ClCCN1CCCC1 27886 [0,1,0,1,0,0|2,0,0]=4 513 B8R1.8 NCCC1CCCC1 23538 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.8 NCCN1CCCC1 AC1468 [0,1,0,1,0,0|1,0,0]=3 515 B8R1.8 OCCN1CCCC1 F14228 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.8 OCC[C@H]1CCNC1 38792 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.10 CCCOC1CNC1 28518 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.11 CN1CCC[C@@H]1CN C74098 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.11 CN1CCC[C@@H]1CN D82178 [0,1,0,1,0,0|1,0,0]=3 520 B8R1.11 CN1CCC[C@@H]1CO 33737 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.11 CN1CCC[C@@H]1CO 33738 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.11 CN1CCC[C@@H]1CO 34380 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.22 CN1CCCNCC1 63976 [0,1,0,1,0,0|1,0,0]=3 524 B8R1.22 C[C@H]1CCCNCC1 72644 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.22 NC1CCCCCC1 F19821 [0,1,0,1,0,0|2,0,0]=4 526 B8R1.22 N[C@H]1CCCCNC1 51061 [0,1,0,1,0,0|1,0,0]=3 527 B8R1.22 N[C@H]1CCCCNC1 51996 [0,1,0,1,0,0|1,0,0]=3 528 B8R1.22 N[C@H]1CCCCNC1 A56046 [0,1,0,1,0,0|1,0,0]=3 529 B8R1.22 O=C1CCCCCN1 D70254 [0,1,0,1,0,0|2,0,0]=4 530 B8R1.22 O=C1CCCNCC1 VT1100 [0,1,0,1,0,0|2,0,0]=4 531 B8R1.22 O=C1CCNCCN1 23498 [0,1,0,1,0,0|1,0,0]=3 532 B8R1.22 O=C1CCOCCN1 F13212 [0,1,0,1,0,0|2,0,0]=4 533 B8R1.22 O=C1CCSCCN1 W16383 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.22 O=C1CNCCCN1 71619 [0,1,0,1,0,0|1,0,1]=4 535 B8R1.22 O=C1CNCCCN1 86465 [0,1,0,1,0,0|1,0,1]=4 536 B8R1.22 O[C@H]1CCCNCC1 36657 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.22 O[C@H]1CCCNCC1 62252 [0,1,0,1,0,0|2,0,0]=4 538 B8R1.1 NC[C@H]1CCC(=O)N1 29046 [0,1,0,1,0,0|1,0,1]=4 539 B8R1.1 OC[C@@H]1C[C@H](F)CN1 72275 [0,1,0,1,0,0|2,0,0]=4 540 B8R1.1 OC[C@@H]1C[C@H](O)CN1 P18712 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.1 OC[C@H]1C[C@H](O)CN1 62331 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.1 OC[C@H]1C[C@H](O)CN1 P17328 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.3 C[C@H]1CC[C@@H](N)CC1 63819 [0,1,0,1,0,0|2,0,0]=4 544 B8R1.3 C[C@H]1CC[C@H](N)CC1 47228 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.3 C[C@H]1CC[C@H](N)CC1 63820 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.3 C[C@H]1CN[C@H](C)CN1 55797 [0,1,0,1,0,0|1,0,0]=3 547 B8R1.3 NC1CCC(I)CC1 D82897 [0,1,0,1,0,0|2,0,0]=4 548 B8R1.3 NC1CCC(N)CC1 D83402 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.3 NC1CCC(O)CC1 H11365 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.3 N[C@H]1CCC(=O)NC1 P10247 [0,1,0,1,0,0|1,0,1]=4 551 B8R1.3 N[C@H]1CC[C@@H](N)CC1 D89460 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.3 N[C@H]1CC[C@@H](O)CC1 51986 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.3 N[C@H]1CC[C@@H](O)CC1 F14021 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.3 N[C@H]1CC[C@H](N)CC1 I11239 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.3 N[C@H]1CC[C@H](O)CC1 O12153 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.3 N[C@H]1CC[C@H](O)CC1 P16830 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.40 NCC(=O)NC1CC1 AB1061 [0,1,0,1,0,0|1,0,1]=4 558 B8R1.52 C[C@]1(CO)CCCN1 38939 [0,1,0,1,0,0|2,0,0]=4 559 B8R1.52 NCC1(O)CCCC1 24513 [0,1,0,1,0,0|2,0,0]=4 560 B8R1.4 CC1CCCC(C)N1 F10355 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.4 CC1CCCC(N)C1 33432 [0,1,0,1,0,0|2,0,0]=4 562 B8R1.4 CC1CNCC(C)C1 D77718 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.4 CC1CNCC(C)N1 H11174 [0,1,0,1,0,0|1,0,0]=3 564 B8R1.4 CC1CNCC(C)N1 P15326 [0,1,0,1,0,0|1,0,0]=3 565 B8R1.4 CC1COCC(C)N1 70362 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.4 CN1CCC[C@H](Br)C1 AC1745 [0,1,0,1,0,0|2,0,0]=4 567 B8R1.4 CN1CCC[C@H](N)C1 37172 [0,1,0,1,0,0|1,0,0]=3 568 B8R1.4 CN1CCC[C@H](N)C1 37173 [0,1,0,1,0,0|1,0,0]=3 569 B8R1.4 CN1CCC[C@H](O)C1 37176 [0,1,0,1,0,0|2,0,0]=4 570 B8R1.4 CN1CCC[C@H](O)C1 37177 [0,1,0,1,0,0|2,0,0]=4 571 B8R1.4 CN1CCC[C@H](O)C1 37178 [0,1,0,1,0,0|2,0,0]=4 572 B8R1.4 CN1CCNC(=O)C1 23552 [0,1,0,1,0,0|1,0,1]=4 573 B8R1.4 C[C@H]1CC(=O)CCN1 55931 [0,1,0,1,0,0|2,0,0]=4 574 B8R1.4 C[C@H]1CNC[C@@H](C)N1 P10485 [0,1,0,1,0,0|1,0,0]=3 575 B8R1.4 C[C@H]1CNC[C@@H](C)O1 70460 [0,1,0,1,0,0|2,0,0]=4 576 B8R1.4 C[C@H]1CNC[C@H](C)O1 77574 [0,1,0,1,0,0|2,0,0]=4 577 B8R1.4 NC1CCCC(N)C1 F14870 [0,1,0,1,0,0|1,0,0]=3 578 B8R1.4 NC1CCCC(O)C1 20373 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.4 NC1CCCC(O)C1 51096 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.4 N[C@H]1CCC[C@@H](N)C1 T70691 [0,1,0,1,0,0|1,0,0]=3 581 B8R1.7 CC(C)[C@@H]1CCCN1 AR1076 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.7 C[C@H](N)C1CCCC1 83753 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.7 NC(=O)[C@@H]1CCCN1 59577 [0,1,0,1,0,0|1,0,1]=4 584 B8R1.7 NC(=O)[C@@H]1CCCN1 59579 [0,1,0,1,0,0|1,0,1]=4 585 B8R1.7 NC(=O)[C@@H]1CCCN1 59581 [0,1,0,1,0,0|1,0,1]=4 586 B8R1.7 NC(=O)[C@@H]1CCCN1 AC8100 [0,1,0,1,0,0|1,0,1]=4 587 B8R1.7 NC(=O)[C@@H]1CCCN1 F10562 [0,1,0,1,0,0|1,0,1]=4 588 B8R1.7 NC(=O)[C@@H]1CCCN1 P10052 [0,1,0,1,0,0|1,0,1]=4 589 B8R1.72 CC1(C)CCCNC1 52404 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.72 CC1(C)CNCCN1 26348 [0,1,0,1,0,0|1,0,0]=3 591 B8R1.72 CC1(C)CNCCO1 P11839 [0,1,0,1,0,0|2,0,0]=4 592 B8R1.72 CC1(C)COCCN1 25040 [0,1,0,1,0,0|2,0,0]=4 593 B8R1.72 CC1(N)CCCCC1 71329 [0,1,0,1,0,0|2,0,0]=4 594 B8R1.72 FC1(F)CCCNC1 50285 [0,1,0,1,0,0|2,0,0]=4 595 B8R2.34 C1CC2CCC1N2 25913 [0,0,0,2,0,0|2,0,0]=4 596 B8R2.34 C1NC2CNC1C2 F18855 [0,0,0,2,0,0|1,0,0]=3 597 B8R2.34 C1N[C@@H]2CN[C@H]1C2 D90097 [0,0,0,2,0,0|1,0,0]=3 598 B8R2.34 C1N[C@@H]2CN[C@H]1C2 F18872 [0,0,0,2,0,0|1,0,0]=3 599 B8R2.34 C1O[C@@H]2CN[C@H]1C2 81400 [0,0,0,2,0,0|2,0,0]=4 600 B8R2.34 C1O[C@@H]2CN[C@H]1C2 P10179 [0,0,0,2,0,0|2,0,0]=4 601 B8R2.18 NC1CC2CC2C1 38235 [0,0,0,2,0,0|2,0,0]=4