0 B6R0.6 BrCCNCCBr B28721 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C#CCCCCO H41456 [0,0,0,0,0,0|0,0,4]=4 2 B6R0.6 C=CCCCCO H41549 [0,0,0,0,0,0|0,0,4]=4 3 B6R0.6 CC=CCCCO H41548 [0,0,0,0,0,0|0,0,2]=2 4 B6R0.6 CCCCCC[Mg+] H31703 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.6 CCCCCNC M41618 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.6 CCC\C=C\CO H41550 [0,0,0,0,0,0|0,0,2]=2 7 B6R0.6 CCOCCC#N E41255 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.6 CNCCCCBr B40429 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.6 CNCCCCO M38840 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.6 COCCCCBr B40422 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.6 C\C=C\C=C\CO H69109 [0,0,0,0,0,0|0,0,2]=2 12 B6R0.6 ClCCCCCBr B39164 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.6 ClCCNCCCl B69332 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.6 FCCCCCBr B37978 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.6 ICCCCCI D24633 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.6 NCCNCCO A68374 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.6 NCCOCCN X39968 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.6 NCCOCCN X40357 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.6 O=CCCCCO H32202 [0,0,0,0,0,0|1,0,3]=4 20 B6R0.6 OCCOCCCl C60784 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.6 OCCOCCO D43939 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.2 BrCCCCBr D69410 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.2 BrC\C=C\CBr D60806 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.2 C#CCCCO P68382 [1,0,0,0,0,0|0,0,3]=4 25 B5R0.2 C=CCCCBr B41237 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.2 C=CCCCCl C41238 [1,0,0,0,0,0|1,0,2]=4 27 B5R0.2 C=CCCCO P36921 [1,0,0,0,0,0|0,0,2]=3 28 B5R0.2 CCCCON B40310 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.2 CCO\C=C/Br B2725 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.2 CNCCCCl C39954 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.2 CNCCCO M36844 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.2 COCCCBr B68335 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.2 COCCCO M69411 [1,0,0,0,0,0|1,0,1]=3 34 B5R0.2 ClCCCCI C40239 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.2 ICCCCI D37834 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.2 NCCCCBr B39952 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.2 NCCCCN D39162 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.2 NC\C=C/CCl C65470 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.2 NC\C=C/CN B69714 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.2 NOCC=CCl C39871 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.2 OCCCCBr B67330 [1,0,0,0,0,0|1,0,1]=3 42 B5R0.2 OC\C=C\CO B64254 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.1 BrCCCCCCBr D41534 [0,1,0,0,0,0|1,0,2]=4 44 B7R0.1 C#CCCCCCO H67855 [0,1,0,0,0,0|0,0,3]=4 45 B7R0.1 CCCCCCCBr B43897 [0,1,0,0,0,0|1,0,2]=4 46 B7R0.1 CCCCCCC[Mg+] H31707 [0,1,0,0,0,0|1,0,2]=4 47 B7R0.1 COCCOCCI K40420 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.1 COCCOCCN M38824 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.1 ClCCCCCCBr B39200 [0,1,0,0,0,0|1,0,2]=4 50 B7R0.1 ClCCCCCCI C38559 [0,1,0,0,0,0|1,0,2]=4 51 B7R0.1 ICCCCCCI D41535 [0,1,0,0,0,0|1,0,2]=4 52 B7R0.1 N#CCOCCCO H31839 [0,1,0,0,0,0|1,0,2]=4 53 B7R0.1 NCCCCCCN H68834 [0,1,0,0,0,0|1,0,2]=4 54 B7R0.1 NCCCCCCO A36606 [0,1,0,0,0,0|0,0,2]=3 55 B7R0.1 NCCCNCCBr B40441 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.1 NCCCNCCO H38578 [0,1,0,0,0,0|1,0,1]=3 57 B7R0.1 OCCCCCCBr B41603 [0,1,0,0,0,0|0,0,2]=3 58 B7R0.1 OCCCCCCCl C64682 [0,1,0,0,0,0|0,0,2]=3 59 B7R0.1 OCCCCCCI I4468 [0,1,0,0,0,0|0,0,2]=3 60 B7R0.3 CCCC[C@@H](N)CO A43512 [0,1,0,0,0,0|0,0,2]=3 61 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [0,1,0,0,0,0|1,0,2]=4 62 B7R0.3 CCCOC(=O)OC M40388 [0,1,0,0,0,0|3,0,0]=4 63 B7R0.3 COC(=N)CCCCl M40379 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.3 COC(=O)C=CCBr M37461 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.3 COC(=O)CCCBr M39189 [0,1,0,0,0,0|2,0,1]=4 66 B7R0.3 COC(=O)CCCCl M60517 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.3 COC(=O)CCCN M32376 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.3 COC(=O)\C=C\CBr M41176 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.4 CC(C)CCCCBr B43898 [0,1,0,0,0,0|1,0,2]=4 70 B7R0.4 CCCCCB(O)O P38628 [0,1,0,0,0,0|1,0,2]=4 71 B7R0.4 CCCCC[C@H](C)O H43947 [0,1,0,0,0,0|0,0,2]=3 72 B7R0.4 CCCOCC(=O)O P40387 [0,1,0,0,0,0|1,0,2]=4 73 B7R0.4 CCC\C=C\C(=O)O H41460 [0,1,0,0,0,0|0,0,3]=4 74 B7R0.4 CCOC=CC(=O)O E41226 [0,1,0,0,0,0|1,0,2]=4 75 B7R0.4 CN(C)CCCCO D41621 [0,1,0,0,0,0|1,0,2]=4 76 B7R0.4 C[C@H](O)CNCCO H40448 [0,1,0,0,0,0|1,0,1]=3 77 B7R0.7 CCC[C@H](N)CCO A43513 [0,1,0,0,0,0|0,0,2]=3 78 B7R0.7 CCNC(=O)NCC D40424 [0,1,0,0,0,0|3,0,0]=4 79 B7R0.7 CCOC(=O)CCBr E39188 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.7 CCOC(=O)CCI E41273 [0,1,0,0,0,0|2,0,0]=3 81 B7R0.7 CCOC(=O)CCO E36682 [0,1,0,0,0,0|1,0,0]=2 82 B7R0.7 CCOC(=O)CNC S69399 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.7 CCOC(=O)CNN E67459 [0,1,0,0,0,0|3,0,0]=4 84 B7R0.7 CCOC(=O)CSC E40386 [0,1,0,0,0,0|3,0,0]=4 85 B7R0.7 CCOC(=O)OCCl C38646 [0,1,0,0,0,0|3,0,0]=4 86 B7R0.7 O=C(CCCl)CCCl D67616 [0,1,0,0,0,0|2,0,1]=4 87 B7R1.1 BrCC1=CCCC1 B7551 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.1 BrCC1CCCC1 B23399 [0,0,0,1,0,0|1,0,2]=4 89 B7R1.1 BrC[C@H]1CCCO1 B17294 [0,0,0,1,0,0|1,0,2]=4 90 B7R1.1 BrC[C@H]1CCOC1 T0399 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.1 CCC1=NN=CO1 E37555 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.1 CC[C@@H]1CCNC1 E22541 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.1 CC[C@H]1CCNC1 E22542 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.1 COC1=NCCC1 M69559 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.1 ClCC1=NCCN1 C69471 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.1 FC[C@@H]1CCCN1 F1127 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.1 FC[C@@H]1CCNC1 F60420 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.1 FC[C@H]1CCCN1 F12954 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.1 IC[C@H]1CCOC1 I12451 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.1 NCC1=CC=NO1 K40323 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.1 NCC1=CN=CO1 X11178 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.1 NCC1=CN=CO1 X17340 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.1 NCC1CCCC1 C5395 [0,0,0,1,0,0|1,0,2]=4 104 B7R1.1 NC[C@@H]1CCCN1 A7822 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.1 NC[C@@H]1CCCO1 T25038 [0,0,0,1,0,0|1,0,2]=4 106 B7R1.1 NC[C@@H]1CCOC1 T10325 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.1 NC[C@@H]1CCOC1 T1675 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.1 NC[C@H]1CCCN1 A60830 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.1 NC[C@H]1CCOC1 T10324 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.1 NC[C@H]1CCOC1 T1153 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.1 NC[C@H]1CCOC1 T1674 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.1 NC[C@H]1CCOC1 T7262 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.1 O=CC1=CCCC1 C69466 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.1 OCC1=CC=CS1 T12815 [0,0,0,1,0,0|1,0,2]=4 115 B7R1.1 OCC1=CC=NO1 K40159 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.1 OCC1=CN=CO1 X14033 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.1 OCC1=COC=C1 F41115 [0,0,0,1,0,0|1,0,2]=4 118 B7R1.1 OCC1=CSC=C1 T12827 [0,0,0,1,0,0|1,0,2]=4 119 B7R1.1 OCC1=NNC=C1 H7696 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.1 OCC1=NOC=C1 I11321 [0,0,0,1,0,0|2,0,1]=4 121 B7R1.1 OCC1CC=CC1 C11867 [0,0,0,1,0,0|0,0,2]=3 122 B7R1.1 OCC1CCCC1 C23297 [0,0,0,1,0,0|0,0,2]=3 123 B7R1.1 OCC1OCCO1 D40256 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.1 OCN1C=CC=N1 P9800 [0,0,0,1,0,0|2,0,1]=4 125 B7R1.1 OC[C@@H]1CCCN1 P1125 [0,0,0,1,0,0|1,0,1]=3 126 B7R1.1 OC[C@@H]1CCCN1 P1542 [0,0,0,1,0,0|1,0,1]=3 127 B7R1.1 OC[C@@H]1CCCO1 T40383 [0,0,0,1,0,0|1,0,1]=3 128 B7R1.1 OC[C@@H]1CCNC1 H11286 [0,0,0,1,0,0|1,0,1]=3 129 B7R1.1 OC[C@@H]1CCNC1 P1348 [0,0,0,1,0,0|1,0,1]=3 130 B7R1.1 OC[C@@H]1CCOC1 T0397 [0,0,0,1,0,0|1,0,1]=3 131 B7R1.1 OC[C@H]1CCCN1 P14128 [0,0,0,1,0,0|1,0,1]=3 132 B7R1.1 OC[C@H]1CCCN1 P67898 [0,0,0,1,0,0|1,0,1]=3 133 B7R1.1 OC[C@H]1CCCO1 T67581 [0,0,0,1,0,0|1,0,1]=3 134 B7R1.1 OC[C@H]1CCCO1 T68627 [0,0,0,1,0,0|1,0,1]=3 135 B7R1.1 OC[C@H]1CCNC1 H1594 [0,0,0,1,0,0|1,0,1]=3 136 B7R1.1 OC[C@H]1CCNC1 H7915 [0,0,0,1,0,0|1,0,1]=3 137 B7R1.1 OC[C@H]1CCNC1 P1155 [0,0,0,1,0,0|1,0,1]=3 138 B7R1.1 OC[C@H]1CCNC1 P41328 [0,0,0,1,0,0|1,0,1]=3 139 B7R1.1 OC[C@H]1CCNC1 P6954 [0,0,0,1,0,0|1,0,1]=3 140 B7R1.1 OC[C@H]1CCOC1 T0396 [0,0,0,1,0,0|1,0,1]=3 141 B7R1.1 OC[C@H]1CCOC1 T0398 [0,0,0,1,0,0|1,0,1]=3 142 B7R1.3 BrC1CCCCC1 B69054 [0,0,0,1,0,0|1,0,2]=4 143 B7R1.3 BrC1CCNCC1 B40375 [0,0,0,1,0,0|2,0,1]=4 144 B7R1.3 BrC1CCOCC1 B1507 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.3 BrC1CCSCC1 B31817 [0,0,0,1,0,0|2,0,1]=4 146 B7R1.3 CC1SCCCS1 M63108 [0,0,0,1,0,0|1,1,1]=4 147 B7R1.3 C[C@@H]1CCCNC1 M43474 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.3 C[C@@H]1CNCCN1 M10716 [0,0,0,1,0,0|2,0,1]=4 149 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,0,0,1,0,0|1,0,1]=3 150 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,0,0,1,0,0|1,0,1]=3 151 B7R1.3 C[C@@H]1COCCN1 M26868 [0,0,0,1,0,0|2,0,1]=4 152 B7R1.3 C[C@@H]1COCCN1 M9009 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.3 C[C@H]1CCCCN1 M43475 [0,0,0,1,0,0|1,0,2]=4 154 B7R1.3 C[C@H]1CNCCN1 M10717 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.3 C[C@H]1CNCCO1 M15401 [0,0,0,1,0,0|1,0,1]=3 156 B7R1.3 C[C@H]1CNCCO1 M15402 [0,0,0,1,0,0|1,0,1]=3 157 B7R1.3 C[C@H]1CNCCO1 M29509 [0,0,0,1,0,0|1,0,1]=3 158 B7R1.3 C[C@H]1CNCCO1 M41323 [0,0,0,1,0,0|1,0,1]=3 159 B7R1.3 C[C@H]1COCCN1 M23631 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.3 C[C@H]1COCCN1 M41324 [0,0,0,1,0,0|2,0,1]=4 161 B7R1.3 C[C@H]1COCCN1 M8924 [0,0,0,1,0,0|2,0,1]=4 162 B7R1.3 ClC1CCNCC1 C40376 [0,0,0,1,0,0|2,0,1]=4 163 B7R1.3 ClC1CCOCC1 C4527 [0,0,0,1,0,0|2,0,1]=4 164 B7R1.3 FC1CCNCC1 F6080 [0,0,0,1,0,0|2,0,1]=4 165 B7R1.3 F[C@@H]1CCCNC1 F7495 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.3 F[C@H]1CCCNC1 F1651 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.3 F[C@H]1CCCNC1 F7461 [0,0,0,1,0,0|2,0,1]=4 168 B7R1.3 IC1CCOCC1 I1189 [0,0,0,1,0,0|2,0,1]=4 169 B7R1.3 IC1CCSCC1 I31818 [0,0,0,1,0,0|2,0,1]=4 170 B7R1.3 NC1CCCCC1 C39283 [0,0,0,1,0,0|1,0,2]=4 171 B7R1.3 NC1CCNCC1 P67610 [0,0,0,1,0,0|2,0,1]=4 172 B7R1.3 NC1CCOCC1 A1504 [0,0,0,1,0,0|2,0,1]=4 173 B7R1.3 NC1CCOCC1 T1169 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.3 NC1CCSCC1 T22381 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.3 NC1CCSCC1 T5312 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.3 N[C@@H]1CCCNC1 A10836 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.3 N[C@@H]1CCCNC1 P32424 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.3 N[C@@H]1CCCOC1 X18615 [0,0,0,1,0,0|2,0,1]=4 179 B7R1.3 N[C@H]1CCCNC1 P41385 [0,0,0,1,0,0|2,0,1]=4 180 B7R1.3 N[C@H]1CCCNC1 P67457 [0,0,0,1,0,0|2,0,1]=4 181 B7R1.3 N[C@H]1CCCOC1 T1132 [0,0,0,1,0,0|2,0,1]=4 182 B7R1.3 N[C@H]1CCCOC1 X17960 [0,0,0,1,0,0|2,0,1]=4 183 B7R1.3 O=C1C=CCCN1 D67780 [0,0,0,1,0,0|2,0,1]=4 184 B7R1.3 OC1CCNCC1 P24137 [0,0,0,1,0,0|1,0,1]=3 185 B7R1.3 OC1CCNCC1 P41321 [0,0,0,1,0,0|1,0,1]=3 186 B7R1.3 OC1CCOCC1 H0389 [0,0,0,1,0,0|1,0,1]=3 187 B7R1.3 OC1CCSCC1 H31816 [0,0,0,1,0,0|1,0,1]=3 188 B7R1.3 OC1COCOC1 D38760 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.3 O[C@@H]1CCCNC1 H12298 [0,0,0,1,0,0|1,0,1]=3 190 B7R1.3 O[C@@H]1CCCNC1 H1652 [0,0,0,1,0,0|1,0,1]=3 191 B7R1.3 O[C@@H]1CCCOC1 T15984 [0,0,0,1,0,0|1,0,1]=3 192 B7R1.3 O[C@@H]1CNCCO1 M40347 [0,0,0,1,0,0|2,0,1]=4 193 B7R1.3 O[C@H]1CCCNC1 H0276 [0,0,0,1,0,0|1,0,1]=3 194 B7R1.3 O[C@H]1CCCNC1 H10264 [0,0,0,1,0,0|1,0,1]=3 195 B7R1.3 O[C@H]1CCCNC1 H10265 [0,0,0,1,0,0|1,0,1]=3 196 B7R1.3 O[C@H]1CCCNC1 H4736 [0,0,0,1,0,0|1,0,1]=3 197 B7R1.3 O[C@H]1CCCOC1 H11398 [0,0,0,1,0,0|1,0,1]=3 198 B7R1.3 O[C@H]1CCCOC1 T25087 [0,0,0,1,0,0|1,0,1]=3 199 B7R1.3 SC1CCNCC1 P11895 [0,0,0,1,0,0|1,1,1]=4 200 B7R1.3 S[C@H]1CCCNC1 P15399 [0,0,0,1,0,0|1,1,1]=4 201 B7R1.3 [Mg+]C1CCCCC1 C31701 [0,0,0,1,0,0|1,0,2]=4 202 B7R1.3 [Mg+]C1CCOCC1 T8353 [0,0,0,1,0,0|2,0,1]=4 203 B7R1.3 [Mg+]C1CCOCC1 T8354 [0,0,0,1,0,0|2,0,1]=4 204 B7R1.3 [Mg+]C1CCSCC1 T31824 [0,0,0,1,0,0|2,0,1]=4 205 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [0,0,0,1,0,0|1,0,1]=3 206 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [0,0,0,1,0,0|2,0,1]=4 207 B7R1.4 NC1CCCC1O A40401 [0,0,0,1,0,0|1,0,2]=4 208 B7R1.4 NC1COCC1O A32163 [0,0,0,1,0,0|2,0,1]=4 209 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [0,0,0,1,0,0|1,0,2]=4 210 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [0,0,0,1,0,0|1,0,2]=4 211 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [0,0,0,1,0,0|1,0,2]=4 212 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [0,0,0,1,0,0|1,0,2]=4 213 B7R1.4 N[C@@H]1COC[C@H]1O A13516 [0,0,0,1,0,0|2,0,1]=4 214 B7R1.4 N[C@@H]1COC[C@H]1O A20318 [0,0,0,1,0,0|2,0,1]=4 215 B7R1.4 N[C@@H]1COC[C@H]1O A40351 [0,0,0,1,0,0|2,0,1]=4 216 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [0,0,0,1,0,0|1,0,2]=4 217 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [0,0,0,1,0,0|1,0,2]=4 218 B7R1.4 N[C@H]1COC[C@@H]1O A13517 [0,0,0,1,0,0|2,0,1]=4 219 B7R1.4 O[C@@H]1CCC[C@H]1O C67710 [0,0,0,1,0,0|1,0,2]=4 220 B7R1.4 O[C@@H]1CNC[C@@H]1F F59931 [0,0,0,1,0,0|2,0,1]=4 221 B7R1.4 O[C@@H]1CNC[C@H]1F F11643 [0,0,0,1,0,0|2,0,1]=4 222 B7R1.4 O[C@@H]1CNC[C@H]1F F20203 [0,0,0,1,0,0|2,0,1]=4 223 B7R1.4 O[C@@H]1CNC[C@H]1O P11870 [0,0,0,1,0,0|2,0,1]=4 224 B7R1.4 O[C@H]1CNC[C@@H]1O D11637 [0,0,0,1,0,0|2,0,1]=4 225 B7R1.4 O[C@H]1CNC[C@@H]1O P11869 [0,0,0,1,0,0|2,0,1]=4 226 B7R1.4 O[C@H]1CNC[C@@H]1O P31835 [0,0,0,1,0,0|2,0,1]=4 227 B7R1.4 O[C@H]1CNC[C@H]1O D11638 [0,0,0,1,0,0|2,0,1]=4 228 B7R1.4 O[C@H]1COC[C@H]1O A10821 [0,0,0,1,0,0|2,0,1]=4 229 B7R1.6 COC=C1COC1 M6231 [0,0,0,1,0,0|3,0,0]=4 230 B7R1.6 ClCCN1CCC1 C11577 [0,0,0,1,0,0|2,0,1]=4 231 B7R1.6 NCCC1CCC1 C15341 [0,0,0,1,0,0|1,0,2]=4 232 B7R1.6 NCCN1CCC1 A25439 [0,0,0,1,0,0|2,0,1]=4 233 B7R1.6 OCCC1COC1 X6653 [0,0,0,1,0,0|1,0,2]=4 234 B7R1.6 OCCN1CCC1 A25441 [0,0,0,1,0,0|1,0,1]=3 235 B7R1.6 OCC[C@H]1CCO1 X59677 [0,0,0,1,0,0|1,0,1]=3 236 B7R1.8 OCC1CCC1F F60214 [0,0,0,1,0,0|1,0,2]=4 237 B7R1.24 C1=CCCNCC1 T67173 [0,0,0,1,0,0|1,0,0]=2 238 B7R1.24 C1CCCNCC1 H64495 [0,0,0,1,0,0|1,0,2]=4 239 B7R1.24 C1CNCCNC1 H67920 [0,0,0,1,0,0|2,0,1]=4 240 B7R1.24 C1CNCCOC1 X1345 [0,0,0,1,0,0|1,0,1]=3 241 B7R1.24 C1CNCCSC1 H6236 [0,0,0,1,0,0|1,1,1]=4 242 B4R0.2 BrCCCBr D69412 [2,0,0,0,0,0|2,0,0]=4 243 B4R0.2 C#CCCO B26554 [2,0,0,0,0,0|0,0,2]=4 244 B4R0.2 C=CCCN B21913 [2,0,0,0,0,0|1,0,0]=3 245 B4R0.2 C=CCCO B40252 [2,0,0,0,0,0|0,0,0]=2 246 B4R0.2 C=CCON A39923 [2,0,0,0,0,0|2,0,0]=4 247 B4R0.2 CC#CCO H64582 [2,0,0,0,0,0|0,0,2]=4 248 B4R0.2 CCCNN P39906 [2,0,0,0,0,0|2,0,0]=4 249 B4R0.2 CNCCBr B38473 [2,0,0,0,0,0|2,0,0]=4 250 B4R0.2 CNCCCl C39886 [2,0,0,0,0,0|2,0,0]=4 251 B4R0.2 COCCBr B39138 [2,0,0,0,0,0|2,0,0]=4 252 B4R0.2 COCCI K39881 [2,0,0,0,0,0|2,0,0]=4 253 B4R0.2 CSCCN M62136 [2,0,0,0,0,0|2,0,0]=4 254 B4R0.2 ClCCCI C1367 [2,0,0,0,0,0|2,0,0]=4 255 B4R0.2 ICCCI D39865 [2,0,0,0,0,0|2,0,0]=4 256 B4R0.2 N#CCCO H67414 [2,0,0,0,0,0|1,0,1]=4 257 B4R0.2 NCCCCl C37835 [2,0,0,0,0,0|2,0,0]=4 258 B4R0.2 NCCCO A69322 [2,0,0,0,0,0|1,0,0]=3 259 B4R0.2 NOCCO A39786 [2,0,0,0,0,0|2,0,0]=4 260 B4R0.2 OCCCBr B39137 [2,0,0,0,0,0|1,0,0]=3 261 B4R0.2 OCCCO P69117 [2,0,0,0,0,0|1,0,0]=3 262 B6R0.1 C#C\C(C)=C/CO M43300 [1,1,0,0,0,0|0,0,2]=4 263 B6R0.1 C=CC[C@@H](N)CO A41325 [1,1,0,0,0,0|0,0,2]=4 264 B6R0.1 CC=CC(=O)CC H41457 [1,1,0,0,0,0|0,0,1]=3 265 B6R0.1 CCC[C@@H](Cl)CC C63946 [1,1,0,0,0,0|0,0,2]=4 266 B6R0.1 CCC[C@H](N)CO A40443 [1,1,0,0,0,0|0,0,1]=3 267 B6R0.1 CCC[C@H](N)CO A66421 [1,1,0,0,0,0|0,0,1]=3 268 B6R0.1 CCOC(=O)CN G69291 [1,1,0,0,0,0|2,0,0]=4 269 B6R0.1 CCOC(=O)CO E37817 [1,1,0,0,0,0|1,0,0]=3 270 B6R0.1 CCOC(=O)OC E40254 [1,1,0,0,0,0|2,0,0]=4 271 B6R0.1 CCO\C(C)=N\O E68624 [1,1,0,0,0,0|2,0,0]=4 272 B6R0.1 CNC(=O)CCN A40306 [1,1,0,0,0,0|2,0,0]=4 273 B6R0.1 CNC[C@H](O)CO M37886 [1,1,0,0,0,0|1,0,1]=4 274 B6R0.1 COC(=O)CCBr M39155 [1,1,0,0,0,0|2,0,0]=4 275 B6R0.1 COC(=O)CCN M67902 [1,1,0,0,0,0|2,0,0]=4 276 B6R0.1 COC(=O)CCO M24551 [1,1,0,0,0,0|1,0,0]=3 277 B6R0.1 CO[C@@H](C)CCO M68623 [1,1,0,0,0,0|1,0,1]=4 278 B6R0.4 CC(=O)CCCCl C68599 [1,1,0,0,0,0|1,0,1]=4 279 B6R0.4 CC(=O)NCCN A68626 [1,1,0,0,0,0|2,0,0]=4 280 B6R0.4 CC(=O)NCCO H68625 [1,1,0,0,0,0|1,0,0]=3 281 B6R0.4 CC(=O)OCCBr B67892 [1,1,0,0,0,0|2,0,0]=4 282 B6R0.4 CC(C)=CCCBr B0351 [1,1,0,0,0,0|1,0,0]=3 283 B6R0.4 CC(C)=CCC[Mg+] M31885 [1,1,0,0,0,0|1,0,0]=3 284 B6R0.4 CC(C)CCCO M67872 [1,1,0,0,0,0|0,0,1]=3 285 B6R0.4 CC(C)NCCCl C40431 [1,1,0,0,0,0|2,0,0]=4 286 B6R0.4 CC(C)OCCBr B69154 [1,1,0,0,0,0|2,0,0]=4 287 B6R0.4 COC=CC(C)=O M41222 [1,1,0,0,0,0|1,0,1]=4 288 B6R0.4 O=C(O)\C=C\CBr B37272 [1,1,0,0,0,0|1,0,1]=4 289 B8R0.1 C#CCCC(=O)CCO H6251 [0,2,0,0,0,0|0,0,2]=4 290 B8R0.1 CCCC[C@H](N)CCO A62132 [0,2,0,0,0,0|0,0,2]=4 291 B8R0.1 CCOC(=O)CCC#N E63052 [0,2,0,0,0,0|2,0,0]=4 292 B8R0.1 CCOC(=O)CCCBr B69333 [0,2,0,0,0,0|1,0,1]=4 293 B8R0.1 CCOC(=O)CCCI E31893 [0,2,0,0,0,0|1,0,1]=4 294 B8R0.1 CCOC(=O)CCCN E43487 [0,2,0,0,0,0|1,0,1]=4 295 B8R0.1 CCOC(=O)CCNC E41584 [0,2,0,0,0,0|2,0,0]=4 296 B8R0.1 CCOC(=O)CCSC E39202 [0,2,0,0,0,0|1,1,0]=4 297 B8R0.1 CCOC(=O)\C=C\CBr E43399 [0,2,0,0,0,0|1,0,1]=4 298 B8R0.1 CCOCC(=O)OCC E41554 [0,2,0,0,0,0|2,0,0]=4 299 B8R0.4 C#CCCCCCCO O5669 [0,2,0,0,0,0|0,0,2]=4 300 B8R0.4 CCOCCOCCO E60752 [0,2,0,0,0,0|0,0,2]=4 301 B8R0.4 COCCCCCCBr B43941 [0,2,0,0,0,0|0,0,2]=4 302 B8R0.4 COCCNCCOC B64968 [0,2,0,0,0,0|1,0,1]=4 303 B8R0.4 OCCCCCCCBr B43940 [0,2,0,0,0,0|0,0,2]=4 304 B8R0.4 OCCCNCCCO A37173 [0,2,0,0,0,0|0,0,2]=4 305 B8R0.6 CCCC=CC(=O)OC M43802 [0,2,0,0,0,0|1,0,1]=4 306 B8R0.6 CCCCC[C@@H](O)CC X47206 [0,2,0,0,0,0|0,0,2]=4 307 B8R0.6 COCCCC(=O)OC M68350 [0,2,0,0,0,0|1,0,1]=4 308 B8R0.6 NCCCC[C@H](N)CO D43570 [0,2,0,0,0,0|0,0,2]=4 309 B8R0.7 CC(C)NCCCCO I38536 [0,2,0,0,0,0|0,0,2]=4 310 B8R0.7 CCCCCCB(O)O H41623 [0,2,0,0,0,0|0,0,2]=4 311 B8R0.7 CCCCCC[C@@H](C)O X47207 [0,2,0,0,0,0|0,0,2]=4 312 B8R0.7 CN(C)CCOCCO D68347 [0,2,0,0,0,0|1,0,1]=4 313 B8R0.3 C=C(CO)C(=O)OCC E41470 [0,2,0,0,0,0|1,0,1]=4 314 B8R0.3 CCOC(=O)C(=O)CC E67705 [0,2,0,0,0,0|2,0,0]=4 315 B8R0.3 CCOC(=O)[C@@H](Br)CBr E39185 [0,2,0,0,0,0|2,0,0]=4 316 B8R0.3 CCOC(=O)[C@@H](C)CC E43888 [0,2,0,0,0,0|2,0,0]=4 317 B8R0.3 CCOC(=O)[C@@H](N)CC E43491 [0,2,0,0,0,0|2,0,0]=4 318 B8R0.3 CCOC(=O)[C@@H](N)CO E69027 [0,2,0,0,0,0|1,0,0]=3 319 B8R0.3 CCOC(=O)[C@@H](N)CO S41337 [0,2,0,0,0,0|1,0,0]=3 320 B8R0.3 CCOC(=O)[C@@H](N)CS C64730 [0,2,0,0,0,0|1,1,0]=4 321 B8R0.3 CCOC(=O)[C@H](N)CO E69611 [0,2,0,0,0,0|1,0,0]=3 322 B8R0.8 CCCCC(=O)[C@H](C)N A46508 [0,2,0,0,0,0|1,0,1]=4 323 B8R0.11 CCCC[C@H](CC)CO E60781 [0,2,0,0,0,0|0,0,2]=4 324 B8R0.25 CCS(=O)(=O)CCCO E4265 [0,2,0,0,0,0|1,0,1]=4 325 B8R0.5 CCOC(=O)C[C@@H](C)O E64944 [0,2,0,0,0,0|1,0,0]=3 326 B8R0.5 CCOC(=O)C[C@H](C)N E43492 [0,2,0,0,0,0|2,0,0]=4 327 B8R0.5 CCOC(=O)C[C@H](C)N E61042 [0,2,0,0,0,0|2,0,0]=4 328 B6R1.1 C1=CCNCC1 T0540 [1,0,0,1,0,0|1,0,0]=3 329 B6R1.1 C1=CCOCC1 D10810 [1,0,0,1,0,0|0,0,0]=2 330 B6R1.1 C1CCNCC1 P67647 [1,0,0,1,0,0|1,0,1]=4 331 B6R1.1 C1CCNNC1 H8288 [1,0,0,1,0,0|2,0,0]=4 332 B6R1.1 C1CCONC1 X13780 [1,0,0,1,0,0|1,0,1]=4 333 B6R1.1 C1CCONC1 X40342 [1,0,0,1,0,0|1,0,1]=4 334 B6R1.1 C1CNCOC1 X40263 [1,0,0,1,0,0|1,0,1]=4 335 B6R1.1 C1CSCCN1 T17901 [1,0,0,1,0,0|1,1,0]=4 336 B6R1.2 Br[C@H]1CCNC1 B40246 [1,0,0,1,0,0|2,0,0]=4 337 B6R1.2 Br[C@H]1CCOC1 B0393 [1,0,0,1,0,0|2,0,0]=4 338 B6R1.2 CC1=CC=NO1 M24354 [1,0,0,1,0,0|1,0,1]=4 339 B6R1.2 CC1=NCCC1 M41239 [1,0,0,1,0,0|1,0,1]=4 340 B6R1.2 C[C@@H]1CCCN1 M23610 [1,0,0,1,0,0|1,0,1]=4 341 B6R1.2 C[C@@H]1CCNC1 M22540 [1,0,0,1,0,0|1,0,1]=4 342 B6R1.2 C[C@H]1CCCN1 M21836 [1,0,0,1,0,0|1,0,1]=4 343 B6R1.2 C[C@H]1CCCN1 M24199 [1,0,0,1,0,0|1,0,1]=4 344 B6R1.2 C[C@H]1CCCN1 M24435 [1,0,0,1,0,0|1,0,1]=4 345 B6R1.2 C[C@H]1CCNC1 M22012 [1,0,0,1,0,0|1,0,1]=4 346 B6R1.2 C[C@H]1CCNC1 M69520 [1,0,0,1,0,0|1,0,1]=4 347 B6R1.2 F[C@@H]1CCNC1 F7494 [1,0,0,1,0,0|2,0,0]=4 348 B6R1.2 F[C@H]1CCNC1 F0136 [1,0,0,1,0,0|2,0,0]=4 349 B6R1.2 F[C@H]1CCNC1 F7493 [1,0,0,1,0,0|2,0,0]=4 350 B6R1.2 IC1CCCC1 I20419 [1,0,0,1,0,0|1,0,1]=4 351 B6R1.2 I[C@@H]1CCOC1 I1538 [1,0,0,1,0,0|2,0,0]=4 352 B6R1.2 I[C@H]1CCOC1 I0392 [1,0,0,1,0,0|2,0,0]=4 353 B6R1.2 I[C@H]1CCOC1 I1672 [1,0,0,1,0,0|2,0,0]=4 354 B6R1.2 NC1CC=CC1 A13279 [1,0,0,1,0,0|1,0,0]=3 355 B6R1.2 N[C@@H]1CCNC1 P16877 [1,0,0,1,0,0|2,0,0]=4 356 B6R1.2 N[C@@H]1CCNC1 P16878 [1,0,0,1,0,0|2,0,0]=4 357 B6R1.2 N[C@@H]1CCOC1 A7431 [1,0,0,1,0,0|2,0,0]=4 358 B6R1.2 N[C@@H]1CCOC1 X16388 [1,0,0,1,0,0|2,0,0]=4 359 B6R1.2 N[C@H]1CCNC1 P16879 [1,0,0,1,0,0|2,0,0]=4 360 B6R1.2 N[C@H]1CCNC1 P68854 [1,0,0,1,0,0|2,0,0]=4 361 B6R1.2 N[C@H]1CCOC1 A0023 [1,0,0,1,0,0|2,0,0]=4 362 B6R1.2 N[C@H]1CCOC1 A7432 [1,0,0,1,0,0|2,0,0]=4 363 B6R1.2 N[C@H]1CCOC1 T40344 [1,0,0,1,0,0|2,0,0]=4 364 B6R1.2 N[C@H]1CCOC1 X22238 [1,0,0,1,0,0|2,0,0]=4 365 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,1,0,0|0,0,2]=4 366 B6R1.2 O=C1C=CCO1 F5673 [1,0,0,1,0,0|1,0,1]=4 367 B6R1.2 O=C1CC=CC1 C19712 [1,0,0,1,0,0|0,0,2]=4 368 B6R1.2 OC1CC=CC1 C67522 [1,0,0,1,0,0|0,0,0]=2 369 B6R1.2 O[C@@H]1CCNC1 H7458 [1,0,0,1,0,0|1,0,0]=3 370 B6R1.2 O[C@@H]1CCNC1 P4643 [1,0,0,1,0,0|1,0,0]=3 371 B6R1.2 O[C@@H]1CCOC1 H7563 [1,0,0,1,0,0|1,0,0]=3 372 B6R1.2 O[C@H]1CCNC1 H0275 [1,0,0,1,0,0|1,0,0]=3 373 B6R1.2 O[C@H]1CCNC1 H7496 [1,0,0,1,0,0|1,0,0]=3 374 B6R1.2 O[C@H]1CCNC1 P0679 [1,0,0,1,0,0|1,0,0]=3 375 B6R1.2 O[C@H]1CCOC1 H0466 [1,0,0,1,0,0|1,0,0]=3 376 B6R1.2 O[C@H]1CCOC1 H10322 [1,0,0,1,0,0|1,0,0]=3 377 B6R1.2 O[C@H]1CNOC1 K39924 [1,0,0,1,0,0|2,0,0]=4 378 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [1,0,0,1,0,0|2,0,0]=4 379 B6R1.3 ICCC1CC1 I23113 [1,0,0,1,0,0|1,0,1]=4 380 B6R1.3 NCCC1CC1 C7864 [1,0,0,1,0,0|1,0,1]=4 381 B6R1.3 OCCC1CC1 C7861 [1,0,0,1,0,0|0,0,1]=3 382 B6R1.3 OCCN1CC1 A69643 [1,0,0,1,0,0|1,0,0]=3 383 B6R1.4 CC1NCC1F F21597 [1,0,0,1,0,0|2,0,0]=4 384 B6R1.4 C[C@@H]1NC[C@@H]1O M60046 [1,0,0,1,0,0|1,0,0]=3 385 B6R1.6 BrC[C@H]1CCO1 B0614 [1,0,0,1,0,0|1,0,1]=4 386 B6R1.6 ICC1CCC1 I29708 [1,0,0,1,0,0|1,0,1]=4 387 B6R1.6 IC[C@H]1CCO1 I6940 [1,0,0,1,0,0|1,0,1]=4 388 B6R1.6 NCC1CCC1 C0310 [1,0,0,1,0,0|1,0,1]=4 389 B6R1.6 NCC1CCC1 C1144 [1,0,0,1,0,0|1,0,1]=4 390 B6R1.6 NC[C@H]1CCO1 X6187 [1,0,0,1,0,0|1,0,1]=4 391 B6R1.6 OCC1CCC1 C67424 [1,0,0,1,0,0|0,0,1]=3 392 B6R1.6 OCC1CNC1 A5874 [1,0,0,1,0,0|1,0,1]=4 393 B6R1.6 OCC1CNC1 H12177 [1,0,0,1,0,0|1,0,1]=4 394 B6R1.6 OCC1COC1 X6263 [1,0,0,1,0,0|1,0,1]=4 395 B6R1.6 OCC1CSC1 T20107 [1,0,0,1,0,0|1,0,1]=4 396 B6R1.6 OC[C@@H]1CCN1 A11256 [1,0,0,1,0,0|1,0,0]=3 397 B6R1.6 OC[C@H]1CCN1 A11255 [1,0,0,1,0,0|1,0,0]=3 398 B6R1.6 OC[C@H]1CCN1 A11257 [1,0,0,1,0,0|1,0,0]=3 399 B6R1.6 OC[C@H]1CCO1 X6188 [1,0,0,1,0,0|1,0,0]=3 400 B6R1.6 [Mg+]CC1CCC1 C5036 [1,0,0,1,0,0|1,0,1]=4 401 B8R1.2 BrCC1=CCCCC1 B10308 [0,1,0,1,0,0|2,0,0]=4 402 B8R1.2 CCC1COCCN1 O5554 [0,1,0,1,0,0|1,0,1]=4 403 B8R1.2 CC[C@H]1COCCN1 E22377 [0,1,0,1,0,0|1,0,1]=4 404 B8R1.2 COC1=CCOCC1 M5825 [0,1,0,1,0,0|2,0,0]=4 405 B8R1.2 COC1CCNCC1 M0482 [0,1,0,1,0,0|1,0,1]=4 406 B8R1.2 COC1CCNCC1 M1164 [0,1,0,1,0,0|1,0,1]=4 407 B8R1.2 CO[C@@H]1CCCNC1 M10269 [0,1,0,1,0,0|1,0,1]=4 408 B8R1.2 CO[C@@H]1CCCNC1 M10270 [0,1,0,1,0,0|1,0,1]=4 409 B8R1.2 CO[C@H]1CCCNC1 M10271 [0,1,0,1,0,0|1,0,1]=4 410 B8R1.2 CO[C@H]1CCCNC1 M1167 [0,1,0,1,0,0|1,0,1]=4 411 B8R1.2 CO[C@H]1CCCNC1 M7502 [0,1,0,1,0,0|1,0,1]=4 412 B8R1.2 N#CC1=CCCCO1 D43135 [0,1,0,1,0,0|1,0,1]=4 413 B8R1.2 NC[C@@H]1COCCO1 D11964 [0,1,0,1,0,0|1,0,1]=4 414 B8R1.2 NC[C@H]1CNCCO1 M61772 [0,1,0,1,0,0|1,0,1]=4 415 B8R1.2 NC[C@H]1COCCO1 D11965 [0,1,0,1,0,0|1,0,1]=4 416 B8R1.2 NC[C@H]1COCCO1 D15491 [0,1,0,1,0,0|1,0,1]=4 417 B8R1.2 O=CC1=CCCOC1 D43308 [0,1,0,1,0,0|1,0,1]=4 418 B8R1.2 O=C[C@@H]1CCC=CO1 D15376 [0,1,0,1,0,0|0,0,2]=4 419 B8R1.2 OCC1CCNCC1 P0766 [0,1,0,1,0,0|0,0,2]=4 420 B8R1.2 OCC1CCOCC1 H0390 [0,1,0,1,0,0|0,0,2]=4 421 B8R1.2 OCC1CCSCC1 T13093 [0,1,0,1,0,0|0,0,2]=4 422 B8R1.2 OC[C@@H]1CC=CCC1 C43800 [0,1,0,1,0,0|0,0,0]=2 423 B8R1.2 OC[C@@H]1CCCCN1 P7111 [0,1,0,1,0,0|0,0,2]=4 424 B8R1.2 OC[C@@H]1CCCCO1 X24024 [0,1,0,1,0,0|0,0,2]=4 425 B8R1.2 OC[C@@H]1CCCNC1 P41579 [0,1,0,1,0,0|0,0,2]=4 426 B8R1.2 OC[C@@H]1CCCNC1 P60999 [0,1,0,1,0,0|0,0,2]=4 427 B8R1.2 OC[C@@H]1CCCOC1 X59846 [0,1,0,1,0,0|0,0,2]=4 428 B8R1.2 OC[C@@H]1CNCCO1 M18586 [0,1,0,1,0,0|1,0,1]=4 429 B8R1.2 OC[C@@H]1COCCN1 H40409 [0,1,0,1,0,0|1,0,1]=4 430 B8R1.2 OC[C@@H]1COCCN1 M41331 [0,1,0,1,0,0|1,0,1]=4 431 B8R1.2 OC[C@@H]1COCCO1 D23560 [0,1,0,1,0,0|1,0,1]=4 432 B8R1.2 OC[C@H]1CCCCN1 H41578 [0,1,0,1,0,0|0,0,2]=4 433 B8R1.2 OC[C@H]1CCCCN1 P7110 [0,1,0,1,0,0|0,0,2]=4 434 B8R1.2 OC[C@H]1CCCNC1 P0762 [0,1,0,1,0,0|0,0,2]=4 435 B8R1.2 OC[C@H]1CCCNC1 P41576 [0,1,0,1,0,0|0,0,2]=4 436 B8R1.2 OC[C@H]1CCCOC1 H11515 [0,1,0,1,0,0|0,0,2]=4 437 B8R1.2 OC[C@H]1CCCOC1 X59849 [0,1,0,1,0,0|0,0,2]=4 438 B8R1.2 OC[C@H]1CNCCN1 P41389 [0,1,0,1,0,0|1,0,1]=4 439 B8R1.2 OC[C@H]1CNCCN1 P41390 [0,1,0,1,0,0|1,0,1]=4 440 B8R1.2 OC[C@H]1CNCCO1 M19813 [0,1,0,1,0,0|1,0,1]=4 441 B8R1.2 OC[C@H]1CNCCO1 M40407 [0,1,0,1,0,0|1,0,1]=4 442 B8R1.2 OC[C@H]1CNCCO1 M41329 [0,1,0,1,0,0|1,0,1]=4 443 B8R1.2 OC[C@H]1COCCN1 M41332 [0,1,0,1,0,0|1,0,1]=4 444 B8R1.2 OC[C@H]1COCCN1 M61069 [0,1,0,1,0,0|1,0,1]=4 445 B8R1.2 OC[C@H]1COCCN1 M61885 [0,1,0,1,0,0|1,0,1]=4 446 B8R1.2 OC[C@H]1COCCO1 D23561 [0,1,0,1,0,0|1,0,1]=4 447 B8R1.2 OC[C@H]1COCCO1 D40389 [0,1,0,1,0,0|1,0,1]=4 448 B8R1.2 ONC1CCCCC1 C43480 [0,1,0,1,0,0|0,0,2]=4 449 B8R1.5 CC1CCNCC1O H11697 [0,1,0,1,0,0|0,0,2]=4 450 B8R1.5 CC1CCNCC1O H11698 [0,1,0,1,0,0|0,0,2]=4 451 B8R1.5 CC1CNCCC1O M17031 [0,1,0,1,0,0|0,0,2]=4 452 B8R1.5 CC1CNCCC1O M41575 [0,1,0,1,0,0|0,0,2]=4 453 B8R1.5 C[C@@H]1CCNC[C@@H]1O H14889 [0,1,0,1,0,0|0,0,2]=4 454 B8R1.5 C[C@@H]1CCNC[C@H]1O H11699 [0,1,0,1,0,0|0,0,2]=4 455 B8R1.5 C[C@@H]1CCNC[C@H]1O H14888 [0,1,0,1,0,0|0,0,2]=4 456 B8R1.5 C[C@@H]1CNCC[C@H]1O M30026 [0,1,0,1,0,0|0,0,2]=4 457 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,1,0,1,0,0|1,0,1]=4 458 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,1,0,1,0,0|2,0,0]=4 459 B8R1.5 C[C@H]1CCNC[C@H]1O H11700 [0,1,0,1,0,0|0,0,2]=4 460 B8R1.5 NC1COCCC1O A7869 [0,1,0,1,0,0|1,0,1]=4 461 B8R1.5 N[C@@H]1CCCC[C@H]1O A41577 [0,1,0,1,0,0|0,0,2]=4 462 B8R1.5 N[C@@H]1CCCC[C@H]1O A43481 [0,1,0,1,0,0|0,0,2]=4 463 B8R1.5 N[C@@H]1CCOC[C@@H]1O A11506 [0,1,0,1,0,0|1,0,1]=4 464 B8R1.5 N[C@@H]1CCOC[C@@H]1O A20209 [0,1,0,1,0,0|1,0,1]=4 465 B8R1.5 N[C@@H]1CCOC[C@H]1O A11507 [0,1,0,1,0,0|1,0,1]=4 466 B8R1.5 N[C@@H]1CCOC[C@H]1O A20694 [0,1,0,1,0,0|1,0,1]=4 467 B8R1.5 N[C@@H]1COCC[C@@H]1O A20910 [0,1,0,1,0,0|1,0,1]=4 468 B8R1.5 N[C@@H]1COCC[C@@H]1O A21545 [0,1,0,1,0,0|1,0,1]=4 469 B8R1.5 N[C@@H]1COCC[C@H]1O A12092 [0,1,0,1,0,0|1,0,1]=4 470 B8R1.5 N[C@H]1CCCC[C@@H]1O A43482 [0,1,0,1,0,0|0,0,2]=4 471 B8R1.5 N[C@H]1CCCC[C@@H]1O A64879 [0,1,0,1,0,0|0,0,2]=4 472 B8R1.5 N[C@H]1CCCC[C@H]1O A38152 [0,1,0,1,0,0|0,0,2]=4 473 B8R1.5 N[C@H]1CCCC[C@H]1O A43479 [0,1,0,1,0,0|0,0,2]=4 474 B8R1.5 N[C@H]1CCOC[C@@H]1O A16546 [0,1,0,1,0,0|1,0,1]=4 475 B8R1.5 N[C@H]1CCOC[C@H]1O A10117 [0,1,0,1,0,0|1,0,1]=4 476 B8R1.5 N[C@H]1CCOC[C@H]1O A27832 [0,1,0,1,0,0|1,0,1]=4 477 B8R1.5 N[C@H]1COCC[C@@H]1O A20755 [0,1,0,1,0,0|1,0,1]=4 478 B8R1.5 N[C@H]1COCC[C@H]1O A59650 [0,1,0,1,0,0|1,0,1]=4 479 B8R1.5 OC1CCCCC1Cl C41533 [0,1,0,1,0,0|0,0,2]=4 480 B8R1.5 OC1CCNCC1F F32301 [0,1,0,1,0,0|1,0,1]=4 481 B8R1.5 OC1CCOCC1F F20039 [0,1,0,1,0,0|1,0,1]=4 482 B8R1.5 O[C@@H]1CCNC[C@@H]1F F12118 [0,1,0,1,0,0|1,0,1]=4 483 B8R1.5 O[C@@H]1CCNC[C@H]1O D31613 [0,1,0,1,0,0|1,0,1]=4 484 B8R1.5 O[C@@H]1CCOC[C@H]1F F59990 [0,1,0,1,0,0|1,0,1]=4 485 B8R1.5 O[C@@H]1CNCC[C@H]1F F26881 [0,1,0,1,0,0|1,0,1]=4 486 B8R1.5 O[C@H]1CCCC[C@H]1O C61980 [0,1,0,1,0,0|0,0,2]=4 487 B8R1.5 O[C@H]1CCNC[C@@H]1F F10552 [0,1,0,1,0,0|1,0,1]=4 488 B8R1.5 O[C@H]1CCNC[C@@H]1F F19740 [0,1,0,1,0,0|1,0,1]=4 489 B8R1.5 O[C@H]1CCNC[C@H]1F F10553 [0,1,0,1,0,0|1,0,1]=4 490 B8R1.5 O[C@H]1CCNC[C@H]1F F20213 [0,1,0,1,0,0|1,0,1]=4 491 B8R1.5 O[C@H]1CCOC[C@H]1F F59954 [0,1,0,1,0,0|1,0,1]=4 492 B8R1.5 O[C@H]1CCOC[C@H]1F F60449 [0,1,0,1,0,0|1,0,1]=4 493 B8R1.5 O[C@H]1CNCC[C@@H]1F F10551 [0,1,0,1,0,0|1,0,1]=4 494 B8R1.5 O[C@H]1CNCC[C@H]1O P10148 [0,1,0,1,0,0|1,0,1]=4 495 B8R1.8 BrCCC1OCCO1 B41267 [0,1,0,1,0,0|1,0,1]=4 496 B8R1.8 COC[C@@H]1CCCN1 M14243 [0,1,0,1,0,0|1,0,1]=4 497 B8R1.8 COC[C@@H]1CCNC1 M14792 [0,1,0,1,0,0|1,0,1]=4 498 B8R1.8 COC[C@@H]1CCNC1 M31656 [0,1,0,1,0,0|1,0,1]=4 499 B8R1.8 COC[C@H]1CCCN1 M14242 [0,1,0,1,0,0|1,0,1]=4 500 B8R1.8 COC[C@H]1CCNC1 M14793 [0,1,0,1,0,0|1,0,1]=4 501 B8R1.8 COC[C@H]1CCNC1 M26667 [0,1,0,1,0,0|1,0,1]=4 502 B8R1.8 COC[C@H]1CCNC1 M41581 [0,1,0,1,0,0|1,0,1]=4 503 B8R1.8 NCC[C@H]1CCCO1 T1128 [0,1,0,1,0,0|0,0,2]=4 504 B8R1.8 OCCC1=CC=CS1 T12817 [0,1,0,1,0,0|0,0,2]=4 505 B8R1.8 OCCC1=CN=CN1 K41362 [0,1,0,1,0,0|1,0,1]=4 506 B8R1.8 OCCC1=CNC=N1 I10449 [0,1,0,1,0,0|1,0,1]=4 507 B8R1.8 OCCC1=CNN=C1 P41192 [0,1,0,1,0,0|1,0,1]=4 508 B8R1.8 OCCC1=CSC=C1 T12832 [0,1,0,1,0,0|0,0,2]=4 509 B8R1.8 OCCN1C=CC=N1 P41188 [0,1,0,1,0,0|1,0,1]=4 510 B8R1.8 OCCN1C=CN=C1 K41193 [0,1,0,1,0,0|1,0,1]=4 511 B8R1.8 OCCN1C=CN=N1 T63143 [0,1,0,1,0,0|2,0,0]=4 512 B8R1.8 OCC[C@H]1CCCN1 P11010 [0,1,0,1,0,0|0,0,2]=4 513 B8R1.8 OCC[C@H]1CCNC1 P29904 [0,1,0,1,0,0|0,0,2]=4 514 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,1,0,1,0,0|1,0,1]=4 515 B8R1.11 CN1C=CN=C1CO M41198 [0,1,0,1,0,0|1,0,1]=4 516 B8R1.11 CN1C=NC=C1CO H14300 [0,1,0,1,0,0|1,0,1]=4 517 B8R1.11 CN1CCC[C@@H]1CO M14129 [0,1,0,1,0,0|0,0,2]=4 518 B8R1.11 CN1CCC[C@@H]1CO M41582 [0,1,0,1,0,0|0,0,2]=4 519 B8R1.11 CN1CCC[C@H]1CO M12480 [0,1,0,1,0,0|0,0,2]=4 520 B8R1.11 CO[C@@H]1CNC[C@@H]1O M23798 [0,1,0,1,0,0|1,0,1]=4 521 B8R1.11 CO[C@@H]1CNC[C@H]1O M11642 [0,1,0,1,0,0|1,0,1]=4 522 B8R1.11 CO[C@H]1CNC[C@H]1O M59760 [0,1,0,1,0,0|1,0,1]=4 523 B8R1.11 C[C@@H]1CNC[C@H]1CO M41583 [0,1,0,1,0,0|0,0,2]=4 524 B8R1.11 C[C@H]1CNC[C@@H]1CO M60070 [0,1,0,1,0,0|0,0,2]=4 525 B8R1.11 NC[C@@H]1COC[C@H]1O A20782 [0,1,0,1,0,0|1,0,1]=4 526 B8R1.11 NC[C@H]1COC[C@H]1O A20734 [0,1,0,1,0,0|1,0,1]=4 527 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,1,0,1,0,0|0,0,1]=3 528 B8R1.11 O=C1NCC[C@@H]1CO H13645 [0,1,0,1,0,0|1,0,0]=3 529 B8R1.22 O=C1C=CCCCC1 C67890 [0,1,0,1,0,0|1,0,1]=4 530 B8R1.22 O=C1CCCNCC1 H12307 [0,1,0,1,0,0|1,0,1]=4 531 B8R1.22 O=C1CCOCCN1 X16165 [0,1,0,1,0,0|1,0,0]=3 532 B8R1.22 O=C1CCSCCN1 T6235 [0,1,0,1,0,0|1,1,0]=4 533 B8R1.22 O[C@H]1CCCNCC1 H12234 [0,1,0,1,0,0|0,0,2]=4 534 B8R1.49 C1=CCCC=CCC1 B62320 [0,1,0,1,0,0|1,0,0]=3 535 B8R1.49 C1=CCCC=CCC1 B68003 [0,1,0,1,0,0|1,0,0]=3 536 B8R1.1 CC1=CC=C(CO)O1 M43304 [0,1,0,1,0,0|0,0,2]=4 537 B8R1.1 CCC1=CC(N)=NO1 E41190 [0,1,0,1,0,0|1,0,1]=4 538 B8R1.1 CCN1CC[C@H](O)C1 E41574 [0,1,0,1,0,0|1,0,1]=4 539 B8R1.1 CN1C=CC(CO)=N1 M9953 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.1 CN1CC[C@@H](CO)C1 H7261 [0,1,0,1,0,0|1,0,1]=4 541 B8R1.1 CN1CC[C@H](CO)C1 H7260 [0,1,0,1,0,0|1,0,1]=4 542 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [0,1,0,1,0,0|2,0,0]=4 544 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 A43437 [0,1,0,1,0,0|0,0,0]=2 545 B8R1.1 O=C1C=C(CO)CO1 H1535 [0,1,0,1,0,0|1,0,1]=4 546 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,1,0,1,0,0|1,0,0]=3 548 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,1,0,1,0,0|1,0,0]=3 549 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,1,0,1,0,0|2,0,0]=4 551 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,1,0,1,0,0|1,0,0]=3 554 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,1,0,1,0,0|1,0,0]=3 555 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,1,0,1,0,0|1,0,0]=3 556 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [0,1,0,1,0,0|1,0,1]=4 557 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [0,1,0,1,0,0|2,0,0]=4 558 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [0,1,0,1,0,0|2,0,0]=4 559 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [0,1,0,1,0,0|2,0,0]=4 560 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 H23845 [0,1,0,1,0,0|1,0,1]=4 561 B8R1.1 OC[C@@H]1C[C@H](O)CO1 H40394 [0,1,0,1,0,0|1,0,1]=4 562 B8R1.1 OC[C@H]1C[C@@H](O)CN1 H41336 [0,1,0,1,0,0|1,0,1]=4 563 B8R1.3 CC1CCC(=O)CC1 M39288 [0,1,0,1,0,0|1,0,1]=4 564 B8R1.3 CC1CCC(O)CC1 M61965 [0,1,0,1,0,0|0,0,2]=4 565 B8R1.3 CN1CCC(O)CC1 H12302 [0,1,0,1,0,0|1,0,1]=4 566 B8R1.3 C[C@@H]1CC[C@H](O)CN1 M59818 [0,1,0,1,0,0|1,0,1]=4 567 B8R1.3 C[C@@H]1CO[C@H](C)CN1 D43484 [0,1,0,1,0,0|1,0,1]=4 568 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.3 C[C@H]1CN[C@H](C)CO1 D41580 [0,1,0,1,0,0|1,0,1]=4 570 B8R1.3 C[C@H]1CO[C@@H](C)CN1 D43485 [0,1,0,1,0,0|1,0,1]=4 571 B8R1.3 NC1CCC(=O)CC1 A38581 [0,1,0,1,0,0|1,0,1]=4 572 B8R1.3 NC1CCC(O)CC1 A43478 [0,1,0,1,0,0|0,0,2]=4 573 B8R1.3 NN1CCC(O)CC1 A61614 [0,1,0,1,0,0|1,0,1]=4 574 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [0,1,0,1,0,0|2,0,0]=4 575 B8R1.3 N[C@H]1CC[C@@H](O)CC1 A23551 [0,1,0,1,0,0|0,0,2]=4 576 B8R1.3 N[C@H]1CC[C@@H](O)CC1 A29883 [0,1,0,1,0,0|0,0,2]=4 577 B8R1.3 N[C@H]1CC[C@H](O)CC1 A4686 [0,1,0,1,0,0|0,0,2]=4 578 B8R1.3 O=C1CCC(O)CC1 H18838 [0,1,0,1,0,0|0,0,1]=3 579 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,1,0,1,0,0|1,0,0]=3 580 B8R1.3 O[C@H]1CC[C@@H](O)CC1 C11596 [0,1,0,1,0,0|0,0,2]=4 581 B8R1.3 O[C@H]1CC[C@H](O)CC1 C24967 [0,1,0,1,0,0|0,0,2]=4 582 B8R1.38 CC(CO)C1CCO1 X60289 [0,1,0,1,0,0|1,0,1]=4 583 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.52 C[C@@]1(CO)CCCN1 M27669 [0,1,0,1,0,0|1,0,1]=4 585 B8R1.52 C[C@]1(CO)CCCN1 M27670 [0,1,0,1,0,0|1,0,1]=4 586 B8R1.52 C[C@]1(CO)CCOC1 M13264 [0,1,0,1,0,0|1,0,1]=4 587 B8R1.52 N[C@@]1(CO)CCOC1 A11595 [0,1,0,1,0,0|1,0,1]=4 588 B8R1.52 OC[C@]1(O)CCNC1 H14632 [0,1,0,1,0,0|1,0,1]=4 589 B8R1.52 OC[C@]1(O)CCNC1 H31243 [0,1,0,1,0,0|1,0,1]=4 590 B8R1.4 CC1CC(N)CCO1 M26284 [0,1,0,1,0,0|0,0,2]=4 591 B8R1.4 CC1CC(O)CCN1 M11589 [0,1,0,1,0,0|1,0,1]=4 592 B8R1.4 CC1CC(O)CCO1 M14345 [0,1,0,1,0,0|0,0,2]=4 593 B8R1.4 CN1CCC[C@@H](O)C1 H1521 [0,1,0,1,0,0|1,0,1]=4 594 B8R1.4 CN1CCC[C@H](O)C1 H0286 [0,1,0,1,0,0|1,0,1]=4 595 B8R1.4 CN1CCC[C@H](O)C1 H1522 [0,1,0,1,0,0|1,0,1]=4 596 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,1,0,1,0,0|1,0,1]=4 597 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,1,0,1,0,0|0,0,1]=3 598 B8R1.4 C[C@@H]1C[C@H](O)CCN1 M31245 [0,1,0,1,0,0|1,0,1]=4 599 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,1,0,1,0,0|1,0,1]=4 600 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,1,0,1,0,0|1,0,1]=4 601 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,1,0,1,0,0|1,0,1]=4 602 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,1,0,1,0,0|0,0,1]=3 603 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,1,0,1,0,0|0,0,1]=3 604 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,1,0,1,0,0|2,0,0]=4 605 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,1,0,1,0,0|2,0,0]=4 606 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D14096 [0,1,0,1,0,0|1,0,1]=4 607 B8R1.4 C[C@H]1CNC[C@H](C)O1 D22785 [0,1,0,1,0,0|1,0,1]=4 608 B8R1.4 C[C@H]1CNC[C@H](C)O1 D7921 [0,1,0,1,0,0|1,0,1]=4 609 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M11590 [0,1,0,1,0,0|1,0,1]=4 610 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M8079 [0,1,0,1,0,0|1,0,1]=4 611 B8R1.4 NC1CCCC(O)C1 A24893 [0,1,0,1,0,0|0,0,2]=4 612 B8R1.4 NC1CCCC(O)C1 A43477 [0,1,0,1,0,0|0,0,2]=4 613 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 A17953 [0,1,0,1,0,0|0,0,2]=4 614 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A24958 [0,1,0,1,0,0|0,0,2]=4 615 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A32382 [0,1,0,1,0,0|0,0,2]=4 616 B8R1.4 N[C@H]1CCC[C@@H](O)C1 A31661 [0,1,0,1,0,0|0,0,2]=4 617 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,1,0,1,0,0|2,0,0]=4 618 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,1,0,1,0,0|2,0,0]=4 619 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,1,0,1,0,0|1,0,0]=3 620 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,1,0,1,0,0|1,0,0]=3 621 B8R1.6 NC1CN(CCO)C1 A19490 [0,1,0,1,0,0|1,0,1]=4 622 B8R1.7 CC(C)C1=CC=CO1 P43710 [0,1,0,1,0,0|0,0,2]=4 623 B8R1.7 CC(O)C1CCNC1 P61134 [0,1,0,1,0,0|1,0,1]=4 624 B8R1.7 C[C@@H](O)C1=CC=CO1 F43302 [0,1,0,1,0,0|0,0,2]=4 625 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41170 [0,1,0,1,0,0|1,0,1]=4 626 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41356 [0,1,0,1,0,0|1,0,1]=4 627 B8R1.72 CC1(C)CNCCO1 D11989 [0,1,0,1,0,0|1,0,1]=4 628 B8R1.72 CC1(C)CNCCO1 D1343 [0,1,0,1,0,0|1,0,1]=4 629 B8R1.72 CC1(O)CCCCC1 M43886 [0,1,0,1,0,0|0,0,2]=4 630 B8R1.72 CC1(O)CCNCC1 H7439 [0,1,0,1,0,0|1,0,1]=4 631 B8R1.72 CC1(O)CCNCC1 M0127 [0,1,0,1,0,0|1,0,1]=4 632 B8R1.72 CC1(O)CCOCC1 M25219 [0,1,0,1,0,0|1,0,1]=4 633 B8R1.72 CC1(O)CCSCC1 M41569 [0,1,0,1,0,0|1,0,1]=4 634 B8R1.72 C[C@]1(O)CCCNC1 M1131 [0,1,0,1,0,0|1,0,1]=4 635 B8R1.72 C[C@]1(O)CCCNC1 M59908 [0,1,0,1,0,0|1,0,1]=4 636 B8R1.72 OC1(O)CCNCC1 P0354 [0,1,0,1,0,0|1,0,1]=4 637 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [0,1,0,1,0,0|1,0,1]=4 638 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [0,1,0,1,0,0|1,0,1]=4 639 B8R1.37 CCOC(=O)C1CC1 E41463 [0,1,0,1,0,0|2,0,0]=4 640 B8R1.37 CCOC(=O)[C@@H]1CO1 E29853 [0,1,0,1,0,0|1,0,0]=3 641 B8R1.66 NC1(CCO)CCC1 A61672 [0,1,0,1,0,0|0,0,2]=4 642 B8R2.11 O[C@H]1[C@@H]2CNC[C@H]12 A27611 [0,0,0,2,0,0|1,0,1]=4 643 B8R2.34 C1=CC2C=CC1C2 B61169 [0,0,0,2,0,0|1,0,1]=4 644 B8R2.34 C1=CC2CC1CN2 A13306 [0,0,0,2,0,0|1,0,0]=3 645 B8R2.34 C1=CC2CC1CN2 B30096 [0,0,0,2,0,0|1,0,0]=3 646 B8R2.34 C1OC2CNC1C2 X26396 [0,0,0,2,0,0|1,0,1]=4 647 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X11751 [0,0,0,2,0,0|1,0,1]=4 648 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X14975 [0,0,0,2,0,0|1,0,1]=4 649 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X20221 [0,0,0,2,0,0|1,0,1]=4 650 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X11749 [0,0,0,2,0,0|1,0,1]=4 651 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X11750 [0,0,0,2,0,0|1,0,1]=4 652 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X20220 [0,0,0,2,0,0|1,0,1]=4 653 B8R2.23 C1NCC2CC1O2 X15474 [0,0,0,2,0,0|1,0,1]=4 654 B8R2.23 C1NCC2CC1O2 X19506 [0,0,0,2,0,0|1,0,1]=4 655 B8R2.25 C1CC2OC2CO1 D13598 [0,0,0,2,0,0|1,0,1]=4 656 B8R2.25 C1COC2CC2N1 X41370 [0,0,0,2,0,0|1,0,1]=4