0 B5R0.2 BrCCCCBr D69410 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.2 BrC\C=C\CBr D60806 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.2 CCCCON B40310 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.2 CCO\C=C/Br B2725 [0,0,0,0,0,0|2,1,1]=4 4 B5R0.2 CNCCCCl C39954 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.2 CNCCCO M36844 [0,0,0,0,0,0|4,0,0]=4 6 B5R0.2 CNCCOC M23409 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.2 COCCCBr B68335 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.2 COCCCO M69411 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.2 ClCC#CCCl D40070 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.2 ClCCCCI C40239 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.2 ICCCCI D37834 [0,0,0,0,0,0|4,0,0]=4 12 B5R0.2 NCCCCBr B39952 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.2 NCCCCN D39162 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.2 NC\C=C/CCl C65470 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.2 NC\C=C/CN B69714 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.2 OCCCCBr B67330 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.2 OC\C=C\CO B64254 [0,0,0,0,0,0|4,0,0]=4 18 B4R0.2 BrCCCBr D69412 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.2 CC#CCO H64582 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.2 CCCNN P39906 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.2 CNCCBr B38473 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.2 CNCCCl C39886 [1,0,0,0,0,0|3,0,0]=4 23 B4R0.2 COCCBr B39138 [1,0,0,0,0,0|2,1,0]=4 24 B4R0.2 COCCI K39881 [1,0,0,0,0,0|2,1,0]=4 25 B4R0.2 CSCCN M62136 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.2 ClCCCI C1367 [1,0,0,0,0,0|3,0,0]=4 27 B4R0.2 ICCCI D39865 [1,0,0,0,0,0|3,0,0]=4 28 B4R0.2 NCCCCl C37835 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.2 NCCCO A69322 [1,0,0,0,0,0|3,0,0]=4 30 B4R0.2 OCCCBr B39137 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.2 OCCCO P69117 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.1 CC=CC(=O)CC H41457 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,1,0,0,0,0|2,0,0]=3 34 B6R0.1 CCC[C@H](N)CO A40443 [0,1,0,0,0,0|3,0,0]=4 35 B6R0.1 CCC[C@H](N)CO A66421 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.1 CCOC(=O)CN G69291 [0,1,0,0,0,0|2,1,0]=4 37 B6R0.1 CCOC(=O)CO E37817 [0,1,0,0,0,0|2,1,0]=4 38 B6R0.1 CCOC(=O)OC E40254 [0,1,0,0,0,0|2,1,0]=4 39 B6R0.4 CC(C)CCCO M67872 [0,1,0,0,0,0|3,0,0]=4 40 B6R0.4 CC(C)NCCCl C40431 [0,1,0,0,0,0|3,0,0]=4 41 B6R0.4 CC(C)OCCBr B69154 [0,1,0,0,0,0|2,1,0]=4 42 B6R0.6 BrCCNCCBr B28721 [0,1,0,0,0,0|3,0,0]=4 43 B6R0.6 CC=CCCCO H41548 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.6 CCCCCC[Mg+] H31703 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.6 CCCCCNC M41618 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.6 CCC\C=C\CO H41550 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.6 CCOCCC#N E41255 [0,1,0,0,0,0|1,1,1]=4 48 B6R0.6 CNCCCCBr B40429 [0,1,0,0,0,0|3,0,0]=4 49 B6R0.6 CNCCCCO M38840 [0,1,0,0,0,0|3,0,0]=4 50 B6R0.6 COCCCCBr B40422 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.6 ClCCCCCBr B39164 [0,1,0,0,0,0|3,0,0]=4 52 B6R0.6 ClCCNCCCl B69332 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.6 FCCCCCBr B37978 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.6 ICCCCCI D24633 [0,1,0,0,0,0|3,0,0]=4 55 B6R0.6 NCCNCCO A68374 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.6 NCCOCCN X39968 [0,1,0,0,0,0|2,1,0]=4 57 B6R0.6 NCCOCCN X40357 [0,1,0,0,0,0|2,1,0]=4 58 B6R0.6 OCCOCCCl C60784 [0,1,0,0,0,0|2,1,0]=4 59 B6R0.6 OCCOCCO D43939 [0,1,0,0,0,0|2,1,0]=4 60 B6R1.1 C1=CCNCC1 T0540 [0,0,0,1,0,0|3,0,0]=4 61 B6R1.1 C1=CCOCC1 D10810 [0,0,0,1,0,0|3,0,0]=4 62 B6R1.1 C1CCNCC1 P67647 [0,0,0,1,0,0|2,0,0]=3 63 B6R1.1 C1CCNNC1 H8288 [0,0,0,1,0,0|2,0,0]=3 64 B6R1.1 C1CCONC1 X13780 [0,0,0,1,0,0|1,1,0]=3 65 B6R1.1 C1CCONC1 X40342 [0,0,0,1,0,0|1,1,0]=3 66 B6R1.1 C1CNCOC1 X40263 [0,0,0,1,0,0|2,1,0]=4 67 B6R1.1 C1CSCCN1 T17901 [0,0,0,1,0,0|2,0,0]=3 68 B6R1.2 Br[C@H]1CCNC1 B40246 [0,0,0,1,0,0|3,0,0]=4 69 B6R1.2 Br[C@H]1CCOC1 B0393 [0,0,0,1,0,0|2,1,0]=4 70 B6R1.2 CC1=NCCC1 M41239 [0,0,0,1,0,0|2,0,1]=4 71 B6R1.2 C[C@@H]1CCCN1 M23610 [0,0,0,1,0,0|2,0,0]=3 72 B6R1.2 C[C@@H]1CCNC1 M22540 [0,0,0,1,0,0|2,0,0]=3 73 B6R1.2 C[C@H]1CCCN1 M21836 [0,0,0,1,0,0|2,0,0]=3 74 B6R1.2 C[C@H]1CCCN1 M24199 [0,0,0,1,0,0|2,0,0]=3 75 B6R1.2 C[C@H]1CCCN1 M24435 [0,0,0,1,0,0|2,0,0]=3 76 B6R1.2 C[C@H]1CCNC1 M22012 [0,0,0,1,0,0|2,0,0]=3 77 B6R1.2 C[C@H]1CCNC1 M69520 [0,0,0,1,0,0|2,0,0]=3 78 B6R1.2 F[C@@H]1CCNC1 F7494 [0,0,0,1,0,0|3,0,0]=4 79 B6R1.2 F[C@H]1CCNC1 F0136 [0,0,0,1,0,0|3,0,0]=4 80 B6R1.2 F[C@H]1CCNC1 F7493 [0,0,0,1,0,0|3,0,0]=4 81 B6R1.2 IC1CCCC1 I20419 [0,0,0,1,0,0|3,0,0]=4 82 B6R1.2 I[C@@H]1CCOC1 I1538 [0,0,0,1,0,0|2,1,0]=4 83 B6R1.2 I[C@H]1CCOC1 I0392 [0,0,0,1,0,0|2,1,0]=4 84 B6R1.2 I[C@H]1CCOC1 I1672 [0,0,0,1,0,0|2,1,0]=4 85 B6R1.2 N[C@@H]1CCNC1 P16877 [0,0,0,1,0,0|3,0,0]=4 86 B6R1.2 N[C@@H]1CCNC1 P16878 [0,0,0,1,0,0|3,0,0]=4 87 B6R1.2 N[C@@H]1CCOC1 A7431 [0,0,0,1,0,0|2,1,0]=4 88 B6R1.2 N[C@@H]1CCOC1 X16388 [0,0,0,1,0,0|2,1,0]=4 89 B6R1.2 N[C@H]1CCNC1 P16879 [0,0,0,1,0,0|3,0,0]=4 90 B6R1.2 N[C@H]1CCNC1 P68854 [0,0,0,1,0,0|3,0,0]=4 91 B6R1.2 N[C@H]1CCOC1 A0023 [0,0,0,1,0,0|2,1,0]=4 92 B6R1.2 N[C@H]1CCOC1 A7432 [0,0,0,1,0,0|2,1,0]=4 93 B6R1.2 N[C@H]1CCOC1 T40344 [0,0,0,1,0,0|2,1,0]=4 94 B6R1.2 N[C@H]1CCOC1 X22238 [0,0,0,1,0,0|2,1,0]=4 95 B6R1.2 O=C1CCSC1 D10906 [0,0,0,1,0,0|2,0,1]=4 96 B6R1.2 O[C@@H]1CCNC1 H7458 [0,0,0,1,0,0|3,0,0]=4 97 B6R1.2 O[C@@H]1CCNC1 P4643 [0,0,0,1,0,0|3,0,0]=4 98 B6R1.2 O[C@@H]1CCOC1 H7563 [0,0,0,1,0,0|2,1,0]=4 99 B6R1.2 O[C@H]1CCNC1 H0275 [0,0,0,1,0,0|3,0,0]=4 100 B6R1.2 O[C@H]1CCNC1 H7496 [0,0,0,1,0,0|3,0,0]=4 101 B6R1.2 O[C@H]1CCNC1 P0679 [0,0,0,1,0,0|3,0,0]=4 102 B6R1.2 O[C@H]1CCOC1 H0466 [0,0,0,1,0,0|2,1,0]=4 103 B6R1.2 O[C@H]1CCOC1 H10322 [0,0,0,1,0,0|2,1,0]=4 104 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [0,0,0,1,0,0|2,1,0]=4 105 B6R1.3 CNCC1CC1 C25333 [0,0,0,1,0,0|3,0,0]=4 106 B6R1.3 ICCC1CC1 I23113 [0,0,0,1,0,0|3,0,0]=4 107 B6R1.3 NCCC1CC1 C7864 [0,0,0,1,0,0|3,0,0]=4 108 B6R1.3 OCCC1CC1 C7861 [0,0,0,1,0,0|3,0,0]=4 109 B6R1.3 OCCN1CC1 A69643 [0,0,0,1,0,0|3,0,0]=4 110 B6R1.4 CC1NCC1F F21597 [0,0,0,1,0,0|3,0,0]=4 111 B6R1.4 C[C@@H]1NC[C@@H]1O M60046 [0,0,0,1,0,0|3,0,0]=4 112 B6R1.6 BrC[C@H]1CCO1 B0614 [0,0,0,1,0,0|2,1,0]=4 113 B6R1.6 CN[C@@H]1CCN1 A7337 [0,0,0,1,0,0|3,0,0]=4 114 B6R1.6 ICC1CCC1 I29708 [0,0,0,1,0,0|3,0,0]=4 115 B6R1.6 IC[C@H]1CCO1 I6940 [0,0,0,1,0,0|2,1,0]=4 116 B6R1.6 NCC1CCC1 C0310 [0,0,0,1,0,0|3,0,0]=4 117 B6R1.6 NCC1CCC1 C1144 [0,0,0,1,0,0|3,0,0]=4 118 B6R1.6 NC[C@H]1CCO1 X6187 [0,0,0,1,0,0|2,1,0]=4 119 B6R1.6 OCC1CCC1 C67424 [0,0,0,1,0,0|3,0,0]=4 120 B6R1.6 OC[C@@H]1CCN1 A11256 [0,0,0,1,0,0|3,0,0]=4 121 B6R1.6 OC[C@H]1CCN1 A11255 [0,0,0,1,0,0|3,0,0]=4 122 B6R1.6 OC[C@H]1CCN1 A11257 [0,0,0,1,0,0|3,0,0]=4 123 B6R1.6 OC[C@H]1CCO1 X6188 [0,0,0,1,0,0|2,1,0]=4 124 B6R1.6 [Mg+]CC1CCC1 C5036 [0,0,0,1,0,0|3,0,0]=4 125 B3R0.1 CCCN P62456 [2,0,0,0,0,0|1,0,0]=3 126 B3R0.1 CCNC M39932 [2,0,0,0,0,0|1,0,0]=3 127 B3R0.1 CCON E60797 [2,0,0,0,0,0|1,1,0]=4 128 B3R0.1 FCCI F39767 [2,0,0,0,0,0|2,0,0]=4 129 B3R0.1 NCCBr B68074 [2,0,0,0,0,0|2,0,0]=4 130 B3R0.1 NCCCl C68611 [2,0,0,0,0,0|2,0,0]=4 131 B3R0.1 NCCF F39796 [2,0,0,0,0,0|2,0,0]=4 132 B5R0.1 C=C(C)OCC E5573 [1,1,0,0,0,0|0,1,1]=4 133 B5R0.1 CC#C[C@H](C)O B1790 [1,1,0,0,0,0|1,0,1]=4 134 B5R0.1 CCC[C@@H](C)N P16023 [1,1,0,0,0,0|1,0,0]=3 135 B5R0.1 CCC[C@H](C)N P22363 [1,1,0,0,0,0|1,0,0]=3 136 B5R0.1 CCOC(C)=N E68065 [1,1,0,0,0,0|0,1,1]=4 137 B5R0.1 COC[C@@H](C)N M40311 [1,1,0,0,0,0|1,1,0]=4 138 B5R0.1 COC[C@@H](C)O M39959 [1,1,0,0,0,0|1,1,0]=4 139 B5R0.1 COC[C@H](C)O M61064 [1,1,0,0,0,0|1,1,0]=4 140 B5R0.1 C[C@@H](N)CCO A10772 [1,1,0,0,0,0|2,0,0]=4 141 B5R0.1 C[C@H](N)CCO A10771 [1,1,0,0,0,0|2,0,0]=4 142 B5R0.1 C[C@H](N)CCO A39964 [1,1,0,0,0,0|2,0,0]=4 143 B5R0.1 C[C@H](O)CCO B68917 [1,1,0,0,0,0|2,0,0]=4 144 B5R0.3 CCC(=O)CN A32390 [1,1,0,0,0,0|2,0,0]=4 145 B5R0.3 CCC(=O)CO H36713 [1,1,0,0,0,0|2,0,0]=4 146 B5R0.3 CCC(N)CC P40440 [1,1,0,0,0,0|1,0,0]=3 147 B5R0.3 CC[C@@H](N)CO A39144 [1,1,0,0,0,0|2,0,0]=4 148 B5R0.3 CC[C@@H](O)CO B39955 [1,1,0,0,0,0|2,0,0]=4 149 B5R0.3 CC[C@H](N)CO A39145 [1,1,0,0,0,0|2,0,0]=4 150 B5R0.3 CC[C@H](O)CO B39956 [1,1,0,0,0,0|2,0,0]=4 151 B7R0.3 CCCC[C@@H](N)CO A43512 [0,2,0,0,0,0|2,0,0]=4 152 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [0,2,0,0,0,0|2,0,0]=4 153 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [0,2,0,0,0,0|1,1,0]=4 154 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,2,0,0,0,0|1,1,0]=4 155 B7R0.5 CCOC(=O)[C@H](C)F E41270 [0,2,0,0,0,0|1,1,0]=4 156 B7R0.5 CCOC(=O)[C@H](C)S E40385 [0,2,0,0,0,0|1,1,0]=4 157 B7R0.7 CCC[C@H](N)CCO A43513 [0,2,0,0,0,0|2,0,0]=4 158 B7R0.7 CCNC(=O)NCC D40424 [0,2,0,0,0,0|2,0,0]=4 159 B7R0.7 CCOC(=O)CCBr E39188 [0,2,0,0,0,0|1,1,0]=4 160 B7R0.7 CCOC(=O)CCI E41273 [0,2,0,0,0,0|1,1,0]=4 161 B7R0.7 CCOC(=O)CCO E36682 [0,2,0,0,0,0|1,1,0]=4 162 B7R0.7 CCOC(=O)CNC S69399 [0,2,0,0,0,0|1,1,0]=4 163 B7R0.7 CCOC(=O)CSC E40386 [0,2,0,0,0,0|1,1,0]=4 164 B7R0.10 CCC(=O)C(=O)CC H41459 [0,2,0,0,0,0|2,0,0]=4 165 B7R0.4 CC(C)CCCCBr B43898 [0,2,0,0,0,0|2,0,0]=4 166 B7R0.4 CCCCC[C@H](C)O H43947 [0,2,0,0,0,0|2,0,0]=4 167 B7R0.4 C[C@H](O)CNCCO H40448 [0,2,0,0,0,0|2,0,0]=4 168 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [0,2,0,0,0,0|2,0,0]=4 169 B7R0.1 BrCCCCCCBr D41534 [0,2,0,0,0,0|2,0,0]=4 170 B7R0.1 CCCCCCCBr B43897 [0,2,0,0,0,0|2,0,0]=4 171 B7R0.1 CCCCCCC[Mg+] H31707 [0,2,0,0,0,0|2,0,0]=4 172 B7R0.1 CNCCCCNC D41624 [0,2,0,0,0,0|2,0,0]=4 173 B7R0.1 COCCOCCI K40420 [0,2,0,0,0,0|1,1,0]=4 174 B7R0.1 COCCOCCN M38824 [0,2,0,0,0,0|1,1,0]=4 175 B7R0.1 ClCCCCCCBr B39200 [0,2,0,0,0,0|2,0,0]=4 176 B7R0.1 ClCCCCCCI C38559 [0,2,0,0,0,0|2,0,0]=4 177 B7R0.1 ICCCCCCI D41535 [0,2,0,0,0,0|2,0,0]=4 178 B7R0.1 NCCCCCCN H68834 [0,2,0,0,0,0|2,0,0]=4 179 B7R0.1 NCCCCCCO A36606 [0,2,0,0,0,0|2,0,0]=4 180 B7R0.1 NCCCNCCBr B40441 [0,2,0,0,0,0|2,0,0]=4 181 B7R0.1 NCCCNCCO H38578 [0,2,0,0,0,0|2,0,0]=4 182 B7R0.1 OCCCCCCBr B41603 [0,2,0,0,0,0|2,0,0]=4 183 B7R0.1 OCCCCCCCl C64682 [0,2,0,0,0,0|2,0,0]=4 184 B7R0.1 OCCCCCCI I4468 [0,2,0,0,0,0|2,0,0]=4 185 B5R1.1 C1CNNC1 P39938 [1,0,0,1,0,0|2,0,0]=4 186 B5R1.1 C1CSCN1 T38217 [1,0,0,1,0,0|1,0,0]=3 187 B5R1.1 C1CSCN1 T60563 [1,0,0,1,0,0|1,0,0]=3 188 B5R1.2 BrC1CCC1 B23687 [1,0,0,1,0,0|2,0,0]=4 189 B5R1.2 CC1CNC1 M1321 [1,0,0,1,0,0|2,0,0]=4 190 B5R1.2 C[C@H]1CCN1 M29512 [1,0,0,1,0,0|1,0,0]=3 191 B5R1.2 IC1CCC1 I23424 [1,0,0,1,0,0|2,0,0]=4 192 B5R1.2 NC1CCC1 C60561 [1,0,0,1,0,0|2,0,0]=4 193 B5R1.2 NC1CSC1 T6025 [1,0,0,1,0,0|2,0,0]=4 194 B5R1.2 [Mg+]C1CCC1 P5028 [1,0,0,1,0,0|2,0,0]=4 195 B5R1.3 BrCC1CC1 C2498 [1,0,0,1,0,0|2,0,0]=4 196 B5R1.3 CNC1CC1 M1319 [1,0,0,1,0,0|2,0,0]=4 197 B5R1.3 CNC1CC1 M14718 [1,0,0,1,0,0|2,0,0]=4 198 B5R1.4 C[C@@H]1C[C@H]1N M40340 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.1 BrCC1CCCC1 B23399 [0,1,0,1,0,0|2,0,0]=4 200 B7R1.1 BrC[C@H]1CCCO1 B17294 [0,1,0,1,0,0|1,1,0]=4 201 B7R1.1 BrC[C@H]1CCOC1 T0399 [0,1,0,1,0,0|1,1,0]=4 202 B7R1.1 CC[C@@H]1CCNC1 E22541 [0,1,0,1,0,0|2,0,0]=4 203 B7R1.1 CC[C@H]1CCNC1 E22542 [0,1,0,1,0,0|2,0,0]=4 204 B7R1.1 CN[C@@H]1CCOC1 M15031 [0,1,0,1,0,0|1,1,0]=4 205 B7R1.1 CN[C@H]1CCOC1 M1156 [0,1,0,1,0,0|1,1,0]=4 206 B7R1.1 CO[C@@H]1CCNC1 M0200 [0,1,0,1,0,0|2,0,0]=4 207 B7R1.1 CO[C@@H]1CCNC1 M12251 [0,1,0,1,0,0|2,0,0]=4 208 B7R1.1 CO[C@H]1CCNC1 M1159 [0,1,0,1,0,0|2,0,0]=4 209 B7R1.1 CO[C@H]1CCNC1 M7459 [0,1,0,1,0,0|2,0,0]=4 210 B7R1.1 FC[C@@H]1CCCN1 F1127 [0,1,0,1,0,0|2,0,0]=4 211 B7R1.1 FC[C@@H]1CCNC1 F60420 [0,1,0,1,0,0|2,0,0]=4 212 B7R1.1 FC[C@H]1CCCN1 F12954 [0,1,0,1,0,0|2,0,0]=4 213 B7R1.1 IC[C@H]1CCOC1 I12451 [0,1,0,1,0,0|1,1,0]=4 214 B7R1.1 NCC1CCCC1 C5395 [0,1,0,1,0,0|2,0,0]=4 215 B7R1.1 NC[C@@H]1CCCN1 A7822 [0,1,0,1,0,0|2,0,0]=4 216 B7R1.1 NC[C@@H]1CCCO1 T25038 [0,1,0,1,0,0|1,1,0]=4 217 B7R1.1 NC[C@@H]1CCOC1 T10325 [0,1,0,1,0,0|1,1,0]=4 218 B7R1.1 NC[C@@H]1CCOC1 T1675 [0,1,0,1,0,0|1,1,0]=4 219 B7R1.1 NC[C@H]1CCCN1 A60830 [0,1,0,1,0,0|2,0,0]=4 220 B7R1.1 NC[C@H]1CCOC1 T10324 [0,1,0,1,0,0|1,1,0]=4 221 B7R1.1 NC[C@H]1CCOC1 T1153 [0,1,0,1,0,0|1,1,0]=4 222 B7R1.1 NC[C@H]1CCOC1 T1674 [0,1,0,1,0,0|1,1,0]=4 223 B7R1.1 NC[C@H]1CCOC1 T7262 [0,1,0,1,0,0|1,1,0]=4 224 B7R1.1 OCC1CCCC1 C23297 [0,1,0,1,0,0|2,0,0]=4 225 B7R1.1 OC[C@@H]1CCCN1 P1125 [0,1,0,1,0,0|2,0,0]=4 226 B7R1.1 OC[C@@H]1CCCN1 P1542 [0,1,0,1,0,0|2,0,0]=4 227 B7R1.1 OC[C@@H]1CCCO1 T40383 [0,1,0,1,0,0|1,1,0]=4 228 B7R1.1 OC[C@@H]1CCNC1 H11286 [0,1,0,1,0,0|2,0,0]=4 229 B7R1.1 OC[C@@H]1CCNC1 P1348 [0,1,0,1,0,0|2,0,0]=4 230 B7R1.1 OC[C@@H]1CCOC1 T0397 [0,1,0,1,0,0|1,1,0]=4 231 B7R1.1 OC[C@H]1CCCN1 P14128 [0,1,0,1,0,0|2,0,0]=4 232 B7R1.1 OC[C@H]1CCCN1 P67898 [0,1,0,1,0,0|2,0,0]=4 233 B7R1.1 OC[C@H]1CCCO1 T67581 [0,1,0,1,0,0|1,1,0]=4 234 B7R1.1 OC[C@H]1CCCO1 T68627 [0,1,0,1,0,0|1,1,0]=4 235 B7R1.1 OC[C@H]1CCNC1 H1594 [0,1,0,1,0,0|2,0,0]=4 236 B7R1.1 OC[C@H]1CCNC1 H7915 [0,1,0,1,0,0|2,0,0]=4 237 B7R1.1 OC[C@H]1CCNC1 P1155 [0,1,0,1,0,0|2,0,0]=4 238 B7R1.1 OC[C@H]1CCNC1 P41328 [0,1,0,1,0,0|2,0,0]=4 239 B7R1.1 OC[C@H]1CCNC1 P6954 [0,1,0,1,0,0|2,0,0]=4 240 B7R1.1 OC[C@H]1CCOC1 T0396 [0,1,0,1,0,0|1,1,0]=4 241 B7R1.1 OC[C@H]1CCOC1 T0398 [0,1,0,1,0,0|1,1,0]=4 242 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [0,1,0,1,0,0|2,0,0]=4 243 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [0,1,0,1,0,0|2,0,0]=4 244 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,1,0,1,0,0|2,0,0]=4 245 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [0,1,0,1,0,0|2,0,0]=4 246 B7R1.3 BrC1CCCCC1 B69054 [0,1,0,1,0,0|2,0,0]=4 247 B7R1.3 BrC1CCNCC1 B40375 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.3 BrC1CCOCC1 B1507 [0,1,0,1,0,0|1,1,0]=4 249 B7R1.3 BrC1CCSCC1 B31817 [0,1,0,1,0,0|1,0,0]=3 250 B7R1.3 CC1SCCCS1 M63108 [0,1,0,1,0,0|1,0,0]=3 251 B7R1.3 CN1CCNCC1 M13367 [0,1,0,1,0,0|2,0,0]=4 252 B7R1.3 C[C@@H]1CCCNC1 M43474 [0,1,0,1,0,0|2,0,0]=4 253 B7R1.3 C[C@@H]1CNCCN1 M10716 [0,1,0,1,0,0|2,0,0]=4 254 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,1,0,1,0,0|1,1,0]=4 255 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,1,0,1,0,0|1,1,0]=4 256 B7R1.3 C[C@@H]1COCCN1 M26868 [0,1,0,1,0,0|1,1,0]=4 257 B7R1.3 C[C@@H]1COCCN1 M9009 [0,1,0,1,0,0|1,1,0]=4 258 B7R1.3 C[C@H]1CCCCN1 M43475 [0,1,0,1,0,0|2,0,0]=4 259 B7R1.3 C[C@H]1CNCCN1 M10717 [0,1,0,1,0,0|2,0,0]=4 260 B7R1.3 C[C@H]1CNCCO1 M15401 [0,1,0,1,0,0|1,1,0]=4 261 B7R1.3 C[C@H]1CNCCO1 M15402 [0,1,0,1,0,0|1,1,0]=4 262 B7R1.3 C[C@H]1CNCCO1 M29509 [0,1,0,1,0,0|1,1,0]=4 263 B7R1.3 C[C@H]1CNCCO1 M41323 [0,1,0,1,0,0|1,1,0]=4 264 B7R1.3 C[C@H]1COCCN1 M23631 [0,1,0,1,0,0|1,1,0]=4 265 B7R1.3 C[C@H]1COCCN1 M41324 [0,1,0,1,0,0|1,1,0]=4 266 B7R1.3 C[C@H]1COCCN1 M8924 [0,1,0,1,0,0|1,1,0]=4 267 B7R1.3 ClC1CCNCC1 C40376 [0,1,0,1,0,0|2,0,0]=4 268 B7R1.3 ClC1CCOCC1 C4527 [0,1,0,1,0,0|1,1,0]=4 269 B7R1.3 FC1CCNCC1 F6080 [0,1,0,1,0,0|2,0,0]=4 270 B7R1.3 F[C@@H]1CCCNC1 F7495 [0,1,0,1,0,0|2,0,0]=4 271 B7R1.3 F[C@H]1CCCNC1 F1651 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.3 F[C@H]1CCCNC1 F7461 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.3 IC1CCOCC1 I1189 [0,1,0,1,0,0|1,1,0]=4 274 B7R1.3 IC1CCSCC1 I31818 [0,1,0,1,0,0|1,0,0]=3 275 B7R1.3 NC1CCCCC1 C39283 [0,1,0,1,0,0|2,0,0]=4 276 B7R1.3 NC1CCNCC1 P67610 [0,1,0,1,0,0|2,0,0]=4 277 B7R1.3 NC1CCOCC1 A1504 [0,1,0,1,0,0|1,1,0]=4 278 B7R1.3 NC1CCOCC1 T1169 [0,1,0,1,0,0|1,1,0]=4 279 B7R1.3 NC1CCSCC1 T22381 [0,1,0,1,0,0|1,0,0]=3 280 B7R1.3 NC1CCSCC1 T5312 [0,1,0,1,0,0|1,0,0]=3 281 B7R1.3 N[C@@H]1CCCNC1 A10836 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.3 N[C@@H]1CCCNC1 P32424 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.3 N[C@@H]1CCCOC1 X18615 [0,1,0,1,0,0|1,1,0]=4 284 B7R1.3 N[C@H]1CCCNC1 P41385 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.3 N[C@H]1CCCNC1 P67457 [0,1,0,1,0,0|2,0,0]=4 286 B7R1.3 N[C@H]1CCCOC1 T1132 [0,1,0,1,0,0|1,1,0]=4 287 B7R1.3 N[C@H]1CCCOC1 X17960 [0,1,0,1,0,0|1,1,0]=4 288 B7R1.3 O=C1CCCCN1 P69632 [0,1,0,1,0,0|2,0,0]=4 289 B7R1.3 O=C1CCCSC1 T1776 [0,1,0,1,0,0|1,0,1]=4 290 B7R1.3 O=C1CCSCC1 T6200 [0,1,0,1,0,0|1,0,1]=4 291 B7R1.3 OC1CCNCC1 P24137 [0,1,0,1,0,0|2,0,0]=4 292 B7R1.3 OC1CCNCC1 P41321 [0,1,0,1,0,0|2,0,0]=4 293 B7R1.3 OC1CCOCC1 H0389 [0,1,0,1,0,0|1,1,0]=4 294 B7R1.3 OC1CCSCC1 H31816 [0,1,0,1,0,0|1,0,0]=3 295 B7R1.3 O[C@@H]1CCCNC1 H12298 [0,1,0,1,0,0|2,0,0]=4 296 B7R1.3 O[C@@H]1CCCNC1 H1652 [0,1,0,1,0,0|2,0,0]=4 297 B7R1.3 O[C@@H]1CCCOC1 T15984 [0,1,0,1,0,0|1,1,0]=4 298 B7R1.3 O[C@H]1CCCNC1 H0276 [0,1,0,1,0,0|2,0,0]=4 299 B7R1.3 O[C@H]1CCCNC1 H10264 [0,1,0,1,0,0|2,0,0]=4 300 B7R1.3 O[C@H]1CCCNC1 H10265 [0,1,0,1,0,0|2,0,0]=4 301 B7R1.3 O[C@H]1CCCNC1 H4736 [0,1,0,1,0,0|2,0,0]=4 302 B7R1.3 O[C@H]1CCCOC1 H11398 [0,1,0,1,0,0|1,1,0]=4 303 B7R1.3 O[C@H]1CCCOC1 T25087 [0,1,0,1,0,0|1,1,0]=4 304 B7R1.3 SC1CCNCC1 P11895 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.3 S[C@H]1CCCNC1 P15399 [0,1,0,1,0,0|2,0,0]=4 306 B7R1.3 [Mg+]C1CCCCC1 C31701 [0,1,0,1,0,0|2,0,0]=4 307 B7R1.3 [Mg+]C1CCOCC1 T8353 [0,1,0,1,0,0|1,1,0]=4 308 B7R1.3 [Mg+]C1CCOCC1 T8354 [0,1,0,1,0,0|1,1,0]=4 309 B7R1.3 [Mg+]C1CCSCC1 T31824 [0,1,0,1,0,0|1,0,0]=3 310 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [0,1,0,1,0,0|1,1,0]=4 312 B7R1.4 C[C@H]1CCCC1=O M41458 [0,1,0,1,0,0|2,0,0]=4 313 B7R1.4 C[C@H]1CCNC1=O M41257 [0,1,0,1,0,0|2,0,0]=4 314 B7R1.4 C[C@H]1CCOC1=O M41224 [0,1,0,1,0,0|1,1,0]=4 315 B7R1.6 CCNC1COC1 E8452 [0,1,0,1,0,0|2,0,0]=4 316 B7R1.6 CCOC1CNC1 E41322 [0,1,0,1,0,0|1,1,0]=4 317 B7R1.6 COC[C@@H]1CCN1 M11645 [0,1,0,1,0,0|2,0,0]=4 318 B7R1.6 COC[C@@H]1CCN1 M20218 [0,1,0,1,0,0|2,0,0]=4 319 B7R1.6 COC[C@H]1CCN1 M11646 [0,1,0,1,0,0|2,0,0]=4 320 B7R1.6 COC[C@H]1CCN1 M14791 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.6 ClCCN1CCC1 C11577 [0,1,0,1,0,0|2,0,0]=4 322 B7R1.6 NCCC1CCC1 C15341 [0,1,0,1,0,0|2,0,0]=4 323 B7R1.6 NCCN1CCC1 A25439 [0,1,0,1,0,0|2,0,0]=4 324 B7R1.6 OCCN1CCC1 A25441 [0,1,0,1,0,0|2,0,0]=4 325 B7R1.6 OCC[C@H]1CCO1 X59677 [0,1,0,1,0,0|1,1,0]=4 326 B7R1.10 CCN1CC(N)C1 A11460 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.10 CCN1CC(O)C1 A0524 [0,1,0,1,0,0|2,0,0]=4 328 B7R1.22 CCC(=O)C1CC1 C24823 [0,1,0,1,0,0|2,0,0]=4 329 B7R1.22 CC[C@H](O)C1CC1 C29750 [0,1,0,1,0,0|2,0,0]=4 330 B7R1.14 CC1(C)CCCN1 D24602 [0,1,0,1,0,0|2,0,0]=4 331 B7R1.14 CC1(C)CCNC1 D1149 [0,1,0,1,0,0|2,0,0]=4 332 B7R1.14 CC1(O)CCCC1 M41551 [0,1,0,1,0,0|2,0,0]=4 333 B7R1.14 C[C@@]1(O)CCNC1 M23456 [0,1,0,1,0,0|2,0,0]=4 334 B7R1.14 C[C@]1(F)CCNC1 F29656 [0,1,0,1,0,0|2,0,0]=4 335 B7R1.14 C[C@]1(N)CCOC1 A11772 [0,1,0,1,0,0|1,1,0]=4 336 B7R1.14 C[C@]1(O)CCNC1 H0280 [0,1,0,1,0,0|2,0,0]=4 337 B7R1.14 C[C@]1(O)CCNC1 M10113 [0,1,0,1,0,0|2,0,0]=4 338 B7R1.14 C[C@]1(O)CCNC1 M18574 [0,1,0,1,0,0|2,0,0]=4 339 B7R1.14 C[C@]1(O)CCNC1 M59983 [0,1,0,1,0,0|2,0,0]=4 340 B7R1.18 C[C@H](N)C1CCC1 C29990 [0,1,0,1,0,0|2,0,0]=4 341 B7R1.24 C1=CCCNCC1 T67173 [0,1,0,1,0,0|2,0,0]=4 342 B7R1.24 C1CCCNCC1 H64495 [0,1,0,1,0,0|2,0,0]=4 343 B7R1.24 C1CNCCNC1 H67920 [0,1,0,1,0,0|2,0,0]=4 344 B7R1.24 C1CNCCOC1 X1345 [0,1,0,1,0,0|1,1,0]=4 345 B7R1.24 C1CNCCSC1 H6236 [0,1,0,1,0,0|1,0,0]=3 346 B7R2.13 C1CC2CC2N1 A13958 [0,0,0,2,0,0|2,0,0]=4 347 B7R2.13 C1CC2CC2N1 A25593 [0,0,0,2,0,0|2,0,0]=4 348 B7R2.13 C1NCC2CC12 A13737 [0,0,0,2,0,0|2,0,0]=4 349 B7R2.13 C1NCC2CC12 A1579 [0,0,0,2,0,0|2,0,0]=4 350 B7R2.11 C1NC2CC1C2 A10797 [0,0,0,2,0,0|2,0,0]=4 351 B7R2.11 C1NC2CC1C2 A6593 [0,0,0,2,0,0|2,0,0]=4