0 B7R0.1 BrCCCCCCBr D77996 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.1 C=CCOCCCC D88441 [0,0,0,0,0,0|1,1,2]=4 2 B7R0.1 C=CCSSCC=C D89587 [0,0,0,0,0,0|0,0,4]=4 3 B7R0.1 CCCCCCCBr D78084 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.1 CCCCCCCI D70828 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.1 CCCCCCCS D90781 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.1 CCCCOCCCl D89363 [0,0,0,0,0,0|2,1,0]=3 7 B7R0.1 CNCCCCNC 29857 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.1 COCCOCCBr AC1298 [0,0,0,0,0,0|3,1,0]=4 9 B7R0.1 COCCOCCN F19842 [0,0,0,0,0,0|3,1,0]=4 10 B7R0.1 COCCOCCO D78002 [0,0,0,0,0,0|3,1,0]=4 11 B7R0.1 ClCCCCCCBr AC1307 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.1 ClCCCCCCI O10399 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.1 ICCCCCCI D78160 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.1 NCCCCCCN H11757 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.1 NCCCCCCO 74060 [0,0,0,0,0,0|4,0,0]=4 16 B7R0.1 NCCCNCCBr 37146 [0,0,0,0,0,0|4,0,0]=4 17 B7R0.1 NCCCNCCO 37148 [0,0,0,0,0,0|4,0,0]=4 18 B7R0.1 NCCNCCCO H11394 [0,0,0,0,0,0|4,0,0]=4 19 B7R0.1 NCCSSCCN 28637 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.1 NCC[Se][Se]CCN H10234 [0,0,0,0,0,0|2,2,0]=4 21 B7R0.1 OCCCCCCBr 34408 [0,0,0,0,0,0|4,0,0]=4 22 B7R0.1 OCCCCCCCl D70146 [0,0,0,0,0,0|4,0,0]=4 23 B7R0.1 OCCCCCCS N11988 [0,0,0,0,0,0|4,0,0]=4 24 B7R0.1 SCCCCCCS D90840 [0,0,0,0,0,0|4,0,0]=4 25 B6R0.6 BrCCCCCBr D70772 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.6 BrCCOCCBr 12226 [1,0,0,0,0,0|2,1,0]=4 27 B6R0.6 CCC#CCCO F11743 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.6 CCCC#CCO D90881 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.6 CCCCCCI F20355 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.6 CCCCCCN F19564 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.6 CCCCCNC D91584 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.6 CCCNCCC D89745 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.6 CCCNCCO C10761 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.6 CCCOCCCl H10822 [1,0,0,0,0,0|1,1,0]=3 35 B6R0.6 CCC\C=C\CO D78301 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.6 CCNCCCN D82016 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.6 CCNCCCO 31655 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.6 CCNCCOC H11999 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.6 CCOCCCCl D95770 [1,0,0,0,0,0|2,1,0]=4 40 B6R0.6 CCOCCCO D95933 [1,0,0,0,0,0|2,1,0]=4 41 B6R0.6 CC\C=C/CCO 73722 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.6 CNCCCCO F10210 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.6 COCCCCBr F13727 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.6 COCCCCCl 28715 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.6 COCCCCO D78159 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.6 COCOCOC 75328 [1,0,0,0,0,0|2,1,0]=4 47 B6R0.6 C[NH2+]CCC[NH2+]C D90229 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.6 ClCCCCCBr S10881 [1,0,0,0,0,0|3,0,0]=4 49 B6R0.6 ClCCCCCI A10955 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.6 ClCCNCCCl 97536 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.6 FCCCCCBr 24471 [1,0,0,0,0,0|3,0,0]=4 52 B6R0.6 ICCCCCI P10001 [1,0,0,0,0,0|3,0,0]=4 53 B6R0.6 ICCOCCI C90294 [1,0,0,0,0,0|2,1,0]=4 54 B6R0.6 NCCCCCN D83408 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.6 NCCCCCO I11482 [1,0,0,0,0,0|3,0,0]=4 56 B6R0.6 NCCNCCO D77720 [1,0,0,0,0,0|3,0,0]=4 57 B6R0.6 NCCOCCN 75244 [1,0,0,0,0,0|2,1,0]=4 58 B6R0.6 NCCOCCN 75301 [1,0,0,0,0,0|2,1,0]=4 59 B6R0.6 NCCOCCO C70233 [1,0,0,0,0,0|2,1,0]=4 60 B6R0.6 NCCSCCN FD10524 [1,0,0,0,0,0|2,0,0]=3 61 B6R0.6 OCCCCCBr 23140 [1,0,0,0,0,0|3,0,0]=4 62 B6R0.6 OCCCCCCl O11412 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.6 OCCNCCCl F50591 [1,0,0,0,0,0|3,0,0]=4 64 B6R0.6 OCCNCCO D92250 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.6 OCCOCCBr S10705 [1,0,0,0,0,0|2,1,0]=4 66 B6R0.6 OCCOCCCl D72518 [1,0,0,0,0,0|2,1,0]=4 67 B6R0.6 SCCCCCS D92137 [1,0,0,0,0,0|3,0,0]=4 68 B6R0.6 SCCSCCS D91485 [1,0,0,0,0,0|2,0,0]=3 69 B8R0.4 BrCCCCCCCBr H11758 [0,1,0,0,0,0|3,0,0]=4 70 B8R0.4 CCCCCCCCCl D97411 [0,1,0,0,0,0|2,0,0]=3 71 B8R0.4 CCCCCCCCI W18672 [0,1,0,0,0,0|2,0,0]=3 72 B8R0.4 CCCCCCCCN D91873 [0,1,0,0,0,0|2,0,0]=3 73 B8R0.4 CCCCCCCCN D91878 [0,1,0,0,0,0|2,0,0]=3 74 B8R0.4 CCCCCCCNC D82019 [0,1,0,0,0,0|2,0,0]=3 75 B8R0.4 CCCCOCCC#N AC1754 [0,1,0,0,0,0|1,1,1]=4 76 B8R0.4 CCCCOCCOC A11001 [0,1,0,0,0,0|1,1,0]=3 77 B8R0.4 CCCC[SnH4+2]CCCC D95293 [0,1,0,0,0,0|2,0,0]=3 78 B8R0.4 CCCC[SnH4+2]CCCC D95356 [0,1,0,0,0,0|2,0,0]=3 79 B8R0.4 CCCSSSCCC D95313 [0,1,0,0,0,0|0,0,0]=1 80 B8R0.4 CCOCCOCCBr D97193 [0,1,0,0,0,0|2,1,0]=4 81 B8R0.4 CCOCCOCCO D72502 [0,1,0,0,0,0|2,1,0]=4 82 B8R0.4 COCCNCCOC F11888 [0,1,0,0,0,0|3,0,0]=4 83 B8R0.4 COCCOCCCBr S10711 [0,1,0,0,0,0|2,1,0]=4 84 B8R0.4 COCCOCCCN A10954 [0,1,0,0,0,0|2,1,0]=4 85 B8R0.4 COCCOCCOC D80970 [0,1,0,0,0,0|2,1,0]=4 86 B8R0.4 NCCCCCCCN O11823 [0,1,0,0,0,0|3,0,0]=4 87 B8R0.4 NCCCOCCCN T70571 [0,1,0,0,0,0|2,1,0]=4 88 B8R0.4 OCCCCCCCBr 34162 [0,1,0,0,0,0|3,0,0]=4 89 B8R0.4 OCCCCCCCCl D97219 [0,1,0,0,0,0|3,0,0]=4 90 B8R0.4 OCCCCCCCO H10510 [0,1,0,0,0,0|3,0,0]=4 91 B8R0.4 OCCCNCCCO O10901 [0,1,0,0,0,0|3,0,0]=4 92 B8R0.6 CCCCC[C@@H](O)CC D78240 [0,1,0,0,0,0|2,0,0]=3 93 B8R0.6 CCCCNC(=O)CC D88679 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.7 CC(C)CCCCCO A10851 [0,1,0,0,0,0|3,0,0]=4 95 B8R0.7 CCCCCC[C@H](C)Br F21283 [0,1,0,0,0,0|2,0,0]=3 96 B8R0.7 CCCCCC[C@H](C)O AC1155 [0,1,0,0,0,0|2,0,0]=3 97 B8R0.7 CCCCCC[C@H](C)O D71187 [0,1,0,0,0,0|2,0,0]=3 98 B8R0.7 CCCCCC[C@H](C)O D81747 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.2 BrCC1CCCCC1 81459 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.2 CC[C@H]1CCCCN1 D90478 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.2 CC[C@H]1COCCN1 F13094 [0,0,0,1,0,0|2,1,0]=4 102 B8R1.2 CC[C@H]1COCCN1 F17622 [0,0,0,1,0,0|2,1,0]=4 103 B8R1.2 CC[C@H]1COCCN1 FD6007 [0,0,0,1,0,0|2,1,0]=4 104 B8R1.2 CN[C@H]1CCCNC1 33739 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.2 CO[C@H]1CCCNC1 32736 [0,0,0,1,0,0|3,0,0]=4 106 B8R1.2 CO[C@H]1CCCNC1 32744 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.2 CO[C@H]1CCCNC1 37169 [0,0,0,1,0,0|3,0,0]=4 108 B8R1.2 CO[C@H]1CCCNC1 37171 [0,0,0,1,0,0|3,0,0]=4 109 B8R1.2 CO[C@H]1CCCNC1 AB7412 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.2 NCC1CCCCC1 FD10556 [0,0,0,1,0,0|3,0,0]=4 111 B8R1.2 NC[C@H]1CCCCN1 F13324 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.2 NC[C@H]1CCCCO1 29695 [0,0,0,1,0,0|2,1,0]=4 113 B8R1.2 NC[C@H]1CCCNC1 51408 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.2 NC[C@H]1CCCNC1 AB01087 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.2 NC[C@H]1CCCOC1 P10450 [0,0,0,1,0,0|2,1,0]=4 116 B8R1.2 OCC1CCCCC1 73723 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.2 OC[C@H]1CCCCN1 23778 [0,0,0,1,0,0|3,0,0]=4 118 B8R1.2 OC[C@H]1CCCCN1 25116 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.2 OC[C@H]1CCCCN1 39317 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.2 OC[C@H]1CCCCN1 69389 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.2 OC[C@H]1CCCCO1 P17277 [0,0,0,1,0,0|2,1,0]=4 122 B8R1.2 OC[C@H]1CCCNC1 20066 [0,0,0,1,0,0|3,0,0]=4 123 B8R1.2 OC[C@H]1CCCNC1 25088 [0,0,0,1,0,0|3,0,0]=4 124 B8R1.2 OC[C@H]1CCCNC1 32724 [0,0,0,1,0,0|3,0,0]=4 125 B8R1.5 C[C@H]1CCCC[C@@H]1N S11914 [0,0,0,1,0,0|3,0,0]=4 126 B8R1.5 C[C@H]1CCCC[C@H]1C D89702 [0,0,0,1,0,0|2,0,0]=3 127 B8R1.5 C[C@H]1CNCCN1C 38274 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.5 C[C@H]1CNCCN1C P11797 [0,0,0,1,0,0|3,0,0]=4 129 B8R1.8 BrCCN1CCCC1 54542 [0,0,0,1,0,0|3,0,0]=4 130 B8R1.8 CCCC1=NCCN1 D92082 [0,0,0,1,0,0|3,0,0]=4 131 B8R1.8 CNC[C@H]1CCCN1 P18037 [0,0,0,1,0,0|3,0,0]=4 132 B8R1.8 COC[C@H]1CCCN1 11150 [0,0,0,1,0,0|3,0,0]=4 133 B8R1.8 ClCCN1CCCC1 27886 [0,0,0,1,0,0|3,0,0]=4 134 B8R1.8 NCCC1CCCC1 23538 [0,0,0,1,0,0|3,0,0]=4 135 B8R1.8 NCCN1CCCC1 AC1468 [0,0,0,1,0,0|3,0,0]=4 136 B8R1.8 OCCC1CCCC1 P10032 [0,0,0,1,0,0|3,0,0]=4 137 B8R1.8 OCCN1CCCC1 F14228 [0,0,0,1,0,0|3,0,0]=4 138 B8R1.10 CCCOC1CNC1 28518 [0,0,0,1,0,0|2,1,0]=4 139 B8R1.22 CN1CCCNCC1 63976 [0,0,0,1,0,0|3,0,0]=4 140 B8R1.22 C[C@H]1CCCNCC1 72644 [0,0,0,1,0,0|2,0,0]=3 141 B8R1.22 ClC1CCCCCC1 D81846 [0,0,0,1,0,0|3,0,0]=4 142 B8R1.22 NC1CCCCCC1 F19821 [0,0,0,1,0,0|3,0,0]=4 143 B8R1.22 N[C@H]1CCCCNC1 51061 [0,0,0,1,0,0|3,0,0]=4 144 B8R1.22 N[C@H]1CCCCNC1 51996 [0,0,0,1,0,0|3,0,0]=4 145 B8R1.22 N[C@H]1CCCCNC1 A56046 [0,0,0,1,0,0|3,0,0]=4 146 B8R1.22 OC1CCCCCC1 D89285 [0,0,0,1,0,0|3,0,0]=4 147 B8R1.22 O[C@H]1CCCNCC1 36657 [0,0,0,1,0,0|3,0,0]=4 148 B8R1.22 O[C@H]1CCCNCC1 62252 [0,0,0,1,0,0|3,0,0]=4 149 B8R1.49 C1=CCCCCCC1 D89499 [0,0,0,1,0,0|2,0,0]=3 150 B5R0.2 BrCCCCBr D77910 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.2 C#CCCCC 75209 [2,0,0,0,0,0|0,0,2]=4 152 B5R0.2 C=CCSSC D88486 [2,0,0,0,0,0|0,0,2]=4 153 B5R0.2 CCCCNN F17594 [2,0,0,0,0,0|2,0,0]=4 154 B5R0.2 CCCCON H11431 [2,0,0,0,0,0|2,0,0]=4 155 B5R0.2 CCCNCC F21346 [2,0,0,0,0,0|1,0,0]=3 156 B5R0.2 CCNCCN AB11316 [2,0,0,0,0,0|2,0,0]=4 157 B5R0.2 CCNCCO 20098 [2,0,0,0,0,0|2,0,0]=4 158 B5R0.2 CCOCCCl 29431 [2,0,0,0,0,0|1,1,0]=4 159 B5R0.2 CCSCCCl D89330 [2,0,0,0,0,0|1,0,0]=3 160 B5R0.2 CCSSCC D89662 [2,0,0,0,0,0|0,0,0]=2 161 B5R0.2 CNCCCCl F16501 [2,0,0,0,0,0|2,0,0]=4 162 B5R0.2 CNCCCN 37144 [2,0,0,0,0,0|2,0,0]=4 163 B5R0.2 CNCCCO 36133 [2,0,0,0,0,0|2,0,0]=4 164 B5R0.2 CNCCNC 39416 [2,0,0,0,0,0|2,0,0]=4 165 B5R0.2 CNCCOC D70346 [2,0,0,0,0,0|2,0,0]=4 166 B5R0.2 CNCCSC AC2521 [2,0,0,0,0,0|2,0,0]=4 167 B5R0.2 COCCCBr F11235 [2,0,0,0,0,0|2,0,0]=4 168 B5R0.2 COCCCCl H11766 [2,0,0,0,0,0|2,0,0]=4 169 B5R0.2 COCCCN D81053 [2,0,0,0,0,0|2,0,0]=4 170 B5R0.2 COCCOC D81126 [2,0,0,0,0,0|2,0,0]=4 171 B5R0.2 COCCOC D83907 [2,0,0,0,0,0|2,0,0]=4 172 B5R0.2 COCCOC F16635 [2,0,0,0,0,0|2,0,0]=4 173 B5R0.2 CSCCCO 79218 [2,0,0,0,0,0|2,0,0]=4 174 B5R0.2 CSCCC[NH3+] D91382 [2,0,0,0,0,0|2,0,0]=4 175 B5R0.2 C\C=C/CCC D90857 [2,0,0,0,0,0|0,0,2]=4 176 B5R0.2 ClCCCCBr F11271 [2,0,0,0,0,0|2,0,0]=4 177 B5R0.2 ClCCCCI A10998 [2,0,0,0,0,0|2,0,0]=4 178 B5R0.2 FCCCCBr D87758 [2,0,0,0,0,0|2,0,0]=4 179 B5R0.2 ICCCCI AC1274 [2,0,0,0,0,0|2,0,0]=4 180 B5R0.2 NCCCCBr 24475 [2,0,0,0,0,0|2,0,0]=4 181 B5R0.2 NCCCCN F17678 [2,0,0,0,0,0|2,0,0]=4 182 B5R0.2 NCCCCN N11902 [2,0,0,0,0,0|2,0,0]=4 183 B5R0.2 NCCCCO 51530 [2,0,0,0,0,0|2,0,0]=4 184 B5R0.2 OCCCCBr 54526 [2,0,0,0,0,0|2,0,0]=4 185 B5R0.2 OCCCCCl F11085 [2,0,0,0,0,0|2,0,0]=4 186 B5R0.2 OCCCCI D81265 [2,0,0,0,0,0|2,0,0]=4 187 B7R0.3 CCCCC(=O)CC D90783 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.3 CCCC[C@H](Br)CBr D93164 [1,1,0,0,0,0|2,0,0]=4 189 B7R0.3 CCCC[C@H](N)CO A11352 [1,1,0,0,0,0|2,0,0]=4 190 B7R0.3 CCCC[C@H](N)CO N12322 [1,1,0,0,0,0|2,0,0]=4 191 B7R0.3 CCCC[C@H](O)CO F11270 [1,1,0,0,0,0|2,0,0]=4 192 B7R0.4 CC(C)CCCCO D94723 [1,1,0,0,0,0|2,0,0]=4 193 B7R0.4 CCCCC[C@H](C)N D90921 [1,1,0,0,0,0|1,0,0]=3 194 B7R0.4 CCCCC[C@H](C)O D83253 [1,1,0,0,0,0|1,0,0]=3 195 B7R0.4 CCCCOC(C)C D93400 [1,1,0,0,0,0|1,1,0]=4 196 B7R0.4 CCCCSC(C)=O 79049 [1,1,0,0,0,0|1,0,1]=4 197 B7R0.4 C[C@H](O)CNCCN D90833 [1,1,0,0,0,0|2,0,0]=4 198 B7R0.4 C[C@H](O)CNCCO C13406 [1,1,0,0,0,0|2,0,0]=4 199 B7R0.7 CCCC(N)CCC 28065 [1,1,0,0,0,0|1,0,0]=3 200 B7R0.7 CCCC(O)CCC H10221 [1,1,0,0,0,0|1,0,0]=3 201 B7R0.7 CCCN(C)CCC D95729 [1,1,0,0,0,0|1,0,0]=3 202 B7R0.7 CCC[C@H](C)CCO T71716 [1,1,0,0,0,0|2,0,0]=4 203 B7R0.7 CCC[C@H](S)CCO D84193 [1,1,0,0,0,0|2,0,0]=4 204 B9R0.5 CCCCC[C@@H](C)CCC T71919 [0,2,0,0,0,0|2,0,0]=4 205 B9R0.8 CCCOC(=O)[C@@H](C)CC D92159 [0,2,0,0,0,0|1,1,0]=4 206 B9R0.18 CCCCC(N)CCCC 81547 [0,2,0,0,0,0|2,0,0]=4 207 B9R0.18 CCCCC(O)CCCC D91684 [0,2,0,0,0,0|2,0,0]=4 208 B9R0.18 CCCNC(=O)NCCC W13743 [0,2,0,0,0,0|2,0,0]=4 209 B9R0.35 CCCC(=O)[C@@H](O)CCC D88723 [0,2,0,0,0,0|2,0,0]=4 210 B9R0.2 CCCNCCCN(C)C D97633 [0,2,0,0,0,0|2,0,0]=4 211 B9R0.45 BrCCCCCCCCBr O10358 [0,2,0,0,0,0|2,0,0]=4 212 B9R0.45 C#CCCCCCCCC F11366 [0,2,0,0,0,0|2,0,0]=4 213 B9R0.45 CCCCC#CCCCC D73342 [0,2,0,0,0,0|2,0,0]=4 214 B9R0.45 CCCCCCCCC#N D91888 [0,2,0,0,0,0|2,0,0]=4 215 B9R0.45 CCCCCCCCCI D91171 [0,2,0,0,0,0|2,0,0]=4 216 B9R0.45 CCCCCCCCCO D70513 [0,2,0,0,0,0|2,0,0]=4 217 B9R0.45 CCCCCCCCNC O12029 [0,2,0,0,0,0|2,0,0]=4 218 B9R0.45 CCCCCCCNCC D90566 [0,2,0,0,0,0|2,0,0]=4 219 B9R0.45 CCCCNCCCCO D88720 [0,2,0,0,0,0|2,0,0]=4 220 B9R0.45 CNCCCCCCNC F17013 [0,2,0,0,0,0|2,0,0]=4 221 B9R0.45 COCCCCCCOC D90120 [0,2,0,0,0,0|2,0,0]=4 222 B9R0.45 ClCCCCCCCCCl O10360 [0,2,0,0,0,0|2,0,0]=4 223 B9R0.45 ICCCCCCCCI F19540 [0,2,0,0,0,0|2,0,0]=4 224 B9R0.45 NCCCCCCCCN F21311 [0,2,0,0,0,0|2,0,0]=4 225 B9R0.45 NCCCCCCCCO H11908 [0,2,0,0,0,0|2,0,0]=4 226 B9R0.45 NCCCCNCCCN D95527 [0,2,0,0,0,0|2,0,0]=4 227 B9R0.45 OCCCCCCCCBr 54574 [0,2,0,0,0,0|2,0,0]=4 228 B9R0.45 OCCCCCCCCCl AC2187 [0,2,0,0,0,0|2,0,0]=4 229 B9R0.45 OCCCCCCCCO O12036 [0,2,0,0,0,0|2,0,0]=4 230 B9R0.45 OCCCSSCCCO D70039 [0,2,0,0,0,0|0,0,0]=2 231 B9R0.45 OCCSCCSCCO D95286 [0,2,0,0,0,0|2,0,0]=4 232 B9R0.45 SCCCCCCCCS D91866 [0,2,0,0,0,0|2,0,0]=4 233 B9R0.46 CCCCCC[C@H](O)CO F21409 [0,2,0,0,0,0|2,0,0]=4 234 B9R0.24 CC[C@H](O)CC[C@@H](O)CC D94487 [0,2,0,0,0,0|2,0,0]=4 235 B9R0.38 CCCCCCC(C)(C)O D93517 [0,2,0,0,0,0|2,0,0]=4 236 B7R1.1 BrCC1CCCC1 54494 [1,0,0,1,0,0|2,0,0]=4 237 B7R1.1 BrC[C@H]1CCCO1 P10030 [1,0,0,1,0,0|1,1,0]=4 238 B7R1.1 CCN1CCCC1 F17079 [1,0,0,1,0,0|2,0,0]=4 239 B7R1.1 CNC1CCCC1 F20064 [1,0,0,1,0,0|2,0,0]=4 240 B7R1.1 ClC[C@H]1CCCO1 D78464 [1,0,0,1,0,0|1,1,0]=4 241 B7R1.1 ICC1CCCC1 53338 [1,0,0,1,0,0|2,0,0]=4 242 B7R1.1 NCC1CCCC1 52183 [1,0,0,1,0,0|2,0,0]=4 243 B7R1.1 NC[C@H]1CCCN1 36336 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.1 NC[C@H]1CCCN1 38156 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.1 OCC1CCCC1 23321 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.1 OC[C@H]1CCCN1 11146 [1,0,0,1,0,0|2,0,0]=4 247 B7R1.1 OC[C@H]1CCCN1 11148 [1,0,0,1,0,0|2,0,0]=4 248 B7R1.1 OC[C@H]1CCCN1 F10903 [1,0,0,1,0,0|2,0,0]=4 249 B7R1.1 OC[C@H]1CCCO1 D77646 [1,0,0,1,0,0|1,1,0]=4 250 B7R1.1 OC[C@H]1CCCO1 W18447 [1,0,0,1,0,0|1,1,0]=4 251 B7R1.3 BrC1CCCCC1 P19773 [1,0,0,1,0,0|2,0,0]=4 252 B7R1.3 Br[C@H]1CCCNC1 P16558 [1,0,0,1,0,0|2,0,0]=4 253 B7R1.3 Br[C@H]1CCCOC1 26576 [1,0,0,1,0,0|1,1,0]=4 254 B7R1.3 CC1SCCCS1 D75611 [1,0,0,1,0,0|2,0,0]=4 255 B7R1.3 C[C@H]1CCCCN1 64251 [1,0,0,1,0,0|2,0,0]=4 256 B7R1.3 C[C@H]1CCCCN1 64253 [1,0,0,1,0,0|2,0,0]=4 257 B7R1.3 C[C@H]1CCCNC1 79119 [1,0,0,1,0,0|1,0,0]=3 258 B7R1.3 C[C@H]1CCCNC1 N10739 [1,0,0,1,0,0|1,0,0]=3 259 B7R1.3 C[C@H]1CNCCN1 29363 [1,0,0,1,0,0|2,0,0]=4 260 B7R1.3 C[C@H]1CNCCN1 29364 [1,0,0,1,0,0|2,0,0]=4 261 B7R1.3 C[C@H]1CNCCN1 29365 [1,0,0,1,0,0|2,0,0]=4 262 B7R1.3 C[C@H]1CNCCN1 29366 [1,0,0,1,0,0|2,0,0]=4 263 B7R1.3 C[C@H]1CNCCO1 27675 [1,0,0,1,0,0|2,0,0]=4 264 B7R1.3 C[C@H]1CNCCO1 F13092 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.3 C[C@H]1COCCN1 24436 [1,0,0,1,0,0|1,1,0]=4 266 B7R1.3 C[C@H]1COCCN1 25281 [1,0,0,1,0,0|1,1,0]=4 267 B7R1.3 C[C@H]1COCCN1 36208 [1,0,0,1,0,0|1,1,0]=4 268 B7R1.3 C[C@H]1COCCN1 39286 [1,0,0,1,0,0|1,1,0]=4 269 B7R1.3 C[C@H]1COCCN1 63476 [1,0,0,1,0,0|1,1,0]=4 270 B7R1.3 F[C@H]1CCCNC1 37083 [1,0,0,1,0,0|2,0,0]=4 271 B7R1.3 IC1CCCCC1 F20359 [1,0,0,1,0,0|2,0,0]=4 272 B7R1.3 NC1CCSCC1 F15695 [1,0,0,1,0,0|2,0,0]=4 273 B7R1.3 NC1CCSCC1 SC1591 [1,0,0,1,0,0|2,0,0]=4 274 B7R1.3 N[C@H]1CCCNC1 51800 [1,0,0,1,0,0|2,0,0]=4 275 B7R1.3 N[C@H]1CCCNC1 51802 [1,0,0,1,0,0|2,0,0]=4 276 B7R1.3 N[C@H]1CCCNC1 51816 [1,0,0,1,0,0|2,0,0]=4 277 B7R1.3 N[C@H]1CCCNC1 D77676 [1,0,0,1,0,0|2,0,0]=4 278 B7R1.3 N[C@H]1CCCOC1 53314 [1,0,0,1,0,0|1,1,0]=4 279 B7R1.3 N[C@H]1CCCOC1 69737 [1,0,0,1,0,0|1,1,0]=4 280 B7R1.3 N[C@H]1CCCOC1 P10539 [1,0,0,1,0,0|1,1,0]=4 281 B7R1.3 O=C1CCCSC1 38182 [1,0,0,1,0,0|1,0,1]=4 282 B7R1.3 OC1CCSCC1 25187 [1,0,0,1,0,0|2,0,0]=4 283 B7R1.3 O[C@H]1CCCNC1 29155 [1,0,0,1,0,0|2,0,0]=4 284 B7R1.3 O[C@H]1CCCNC1 29156 [1,0,0,1,0,0|2,0,0]=4 285 B7R1.3 O[C@H]1CCCNC1 29157 [1,0,0,1,0,0|2,0,0]=4 286 B7R1.3 O[C@H]1CCCNC1 37164 [1,0,0,1,0,0|2,0,0]=4 287 B7R1.3 O[C@H]1CCCNC1 67738 [1,0,0,1,0,0|2,0,0]=4 288 B7R1.3 O[C@H]1CCCNC1 P10773 [1,0,0,1,0,0|2,0,0]=4 289 B7R1.3 O[C@H]1CCCOC1 25828 [1,0,0,1,0,0|1,1,0]=4 290 B7R1.6 NCCN1CCC1 P15319 [1,0,0,1,0,0|2,0,0]=4 291 B7R1.7 CCNCC1CC1 F14236 [1,0,0,1,0,0|2,0,0]=4 292 B7R1.24 C1CNCCNC1 F10906 [1,0,0,1,0,0|2,0,0]=4 293 B7R1.24 C1CNCCOC1 31105 [1,0,0,1,0,0|1,1,0]=4 294 B9R1.8 BrCCC1CCCCC1 O10764 [0,1,0,1,0,0|2,0,0]=4 295 B9R1.8 CCCN1CCNCC1 22995 [0,1,0,1,0,0|2,0,0]=4 296 B9R1.8 CCC[C@H]1CCCCN1 Y10685 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.8 CCO[C@H]1CCCNC1 75813 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.8 OCCC1CCCCC1 AC8984 [0,1,0,1,0,0|2,0,0]=4 299 B9R1.8 OCC[C@H]1CCCCN1 36636 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.8 OCC[C@H]1CCCCN1 62346 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.8 OCC[C@H]1CCCCN1 P10605 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.8 OCC[C@H]1CCCCO1 F20608 [0,1,0,1,0,0|1,1,0]=4 303 B9R1.8 OCC[C@H]1CCCNC1 65598 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.12 CCCCN1CCCC1 D94689 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.12 CCCC[C@H]1CCCN1 D83453 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.12 ClCCCN1CCCC1 30437 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.12 ClCCCN1CCCC1 D70826 [0,1,0,1,0,0|2,0,0]=4 308 B9R1.12 ClCCCN1CCCC1 P17466 [0,1,0,1,0,0|2,0,0]=4 309 B9R1.12 NCCCC1CCCC1 P17748 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.12 NCCCN1CCCC1 35113 [0,1,0,1,0,0|2,0,0]=4 311 B9R1.12 OCCCC1CCCC1 AB3609 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.12 OCCCN1CCCC1 29105 [0,1,0,1,0,0|2,0,0]=4 313 B9R1.15 CC[C@H]1CCCCC1=O D97760 [0,1,0,1,0,0|2,0,0]=4 314 B9R1.33 CCCN1CCCC1=O 65466 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.50 NC1CCCCCCC1 D89372 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.50 O=C1CCCCCCC1 78195 [0,1,0,1,0,0|2,0,0]=4 317 B9R1.50 O=C1CCCCCCN1 35268 [0,1,0,1,0,0|2,0,0]=4 318 B9R1.50 O=C1CCCCCCO1 D94278 [0,1,0,1,0,0|1,1,0]=4 319 B9R1.50 OC1CCCCCCC1 D89280 [0,1,0,1,0,0|2,0,0]=4 320 B9R1.50 O[C@@H]1CCC=CCCC1 H10619 [0,1,0,1,0,0|2,0,0]=4 321 B9R1.69 CC1CCC(=O)CC1C 90794 [0,1,0,1,0,0|2,0,0]=4 322 B9R1.134 CCC[N+]1(C)CCCC1 T72998 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.83 CCCCCC[C@H]1CO1 F20386 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.89 CCN1CCCNCC1 72395 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.89 CNC1CCCCCC1 D95799 [0,1,0,1,0,0|2,0,0]=4 326 B9R1.89 OCC1CCCCCC1 A11790 [0,1,0,1,0,0|2,0,0]=4 327 B9R1.1 CCC1CCC(O)CC1 D71246 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.3 CC1CCCC(O)C1C C72857 [0,1,0,1,0,0|2,0,0]=4 329 B9R1.118 CCC1(O)CCCCC1 I11478 [0,1,0,1,0,0|2,0,0]=4 330 B9R1.6 C[C@H](N)C1CCCCC1 79906 [0,1,0,1,0,0|2,0,0]=4 331 B9R1.6 C[C@H](N)C1CCCCC1 79909 [0,1,0,1,0,0|2,0,0]=4 332 B9R1.6 C[C@H](N)C1CCCCC1 N12504 [0,1,0,1,0,0|2,0,0]=4 333 B9R1.6 C[C@H](O)C1CCCCC1 F11489 [0,1,0,1,0,0|2,0,0]=4 334 B9R1.13 CC(C)C[C@H]1CCCN1 AR1079 [0,1,0,1,0,0|2,0,0]=4 335 B9R1.148 CC1(O)CCCCCC1 D93172 [0,1,0,1,0,0|2,0,0]=4 336 B9R1.148 C[C@]1(O)CCCNCC1 37168 [0,1,0,1,0,0|2,0,0]=4 337 B9R2.3 C1CC2CNCC2C1 33250 [0,0,0,2,0,0|2,0,0]=4 338 B9R2.3 C1CC2CNCC2C1 80437 [0,0,0,2,0,0|2,0,0]=4 339 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 11262 [0,0,0,2,0,0|2,0,0]=4 340 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 P10860 [0,0,0,2,0,0|2,0,0]=4 341 B9R2.69 C1CC1CNC2CC2 AC2490 [0,0,0,2,0,0|2,0,0]=4