0 B6R0.4 C#CCCC(=O)O P68088 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.4 C#CCNC(N)=O P40179 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.4 C=CCCC(=O)O P37823 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.4 C=CCCC(N)=O P5022 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.4 C=C\C=C/C(=O)O P41118 [0,0,0,0,0,0|1,0,3]=4 5 B6R0.4 CC(=O)CCCCl C68599 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.4 CC(=O)NCCN A68626 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.4 CC(=O)NCCO H68625 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.4 CC(=O)OCCBr B67892 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.4 CC(C)=CCCBr B0351 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.4 CC(C)=CCC[Mg+] M31885 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.4 CC(C)CCCO M67872 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.4 CCCCC(=N)N P41343 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.4 CCCCC(=O)[O-] S38573 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.4 CCCOC(N)=O P40264 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.4 CN(C)CCCBr B40430 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.4 CN(C)CCCCl C69241 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.4 CNCCC(=O)O M40350 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.4 COCCC(=O)O M40255 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.4 N#CCCC(=O)O C69146 [0,0,0,0,0,0|0,0,2]=2 20 B6R0.4 NCCCC(N)=O A40304 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.4 O=C(O)CCCBr B39154 [0,0,0,0,0,0|1,0,0]=1 22 B6R0.4 O=C(O)CCCCl C40232 [0,0,0,0,0,0|1,0,0]=1 23 B6R0.4 O=C(O)\C=C\CBr B37272 [0,0,0,0,0,0|1,0,2]=3 24 B5R0.1 C#CCC(=O)O B38084 [1,0,0,0,0,0|0,0,2]=3 25 B5R0.1 C=C(C)CON M40345 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 C=C(C)OCC E5573 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 CC#CC(=O)O B67945 [1,0,0,0,0,0|0,0,2]=3 28 B5R0.1 CC(=O)CC#N X40158 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.1 CC(=O)CCCl C69539 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.1 CCCB(O)O P5056 [1,0,0,0,0,0|1,0,1]=3 31 B5R0.1 CCC[C@@H](C)N P16023 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CCC[C@H](C)N P22363 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 CCOC(=N)N E36845 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 CCOC(=S)[S-] P69346 [1,0,0,0,0,0|1,2,0]=4 35 B5R0.1 CCOC(C)=N E68065 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.1 CNCC(=O)O M68590 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.1 CNCC(N)=O M68358 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 COCC(=N)N M39928 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.1 COCC(=O)O M69331 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.1 COC[C@@H](C)O M39959 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 COC[C@H](C)O M61064 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 C[C@H](O)CCO B68917 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 N#CCC(N)=O C60562 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.1 NCCC(N)=O A67869 [1,0,0,0,0,0|1,0,0]=2 45 B5R0.1 NCC[P@H](=O)O A39788 [1,0,0,0,0,0|1,0,0]=2 46 B5R0.1 NOCC(=O)O C40302 [1,0,0,0,0,0|1,0,0]=2 47 B5R0.1 O=C(O)\C=C\Br B9431 [1,0,0,0,0,0|1,0,2]=4 48 B5R0.1 O=[N+]([O-])CCO N39779 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 BrCCCCBr D69410 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.2 C#CCCCCl C68183 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.2 C#CCCCI I8474 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.2 C#CCCCN P41368 [1,0,0,0,0,0|1,0,1]=3 53 B5R0.2 C#CCCCO P68382 [1,0,0,0,0,0|1,0,2]=4 54 B5R0.2 C=CCCCBr B41237 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.2 C=CCCCCl C41238 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.2 C=CCCCO P36921 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.2 CCCCON B40310 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.2 CNCCCCl C39954 [1,0,0,0,0,0|3,0,0]=4 59 B5R0.2 CNCCCO M36844 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.2 COCCCBr B68335 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.2 COCCCO M69411 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.2 ClCCCCI C40239 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.2 ICCCCI D37834 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.2 N#CCCCBr B67593 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.2 N#CCCCCl C64907 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.2 NCCCCBr B39952 [1,0,0,0,0,0|1,0,1]=3 67 B5R0.2 NCCCCN D39162 [1,0,0,0,0,0|1,0,1]=3 68 B5R0.2 NOCC=CCl C39871 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.2 NOCCON E62368 [1,0,0,0,0,0|3,0,0]=4 70 B5R0.2 OCCCCBr B67330 [1,0,0,0,0,0|1,0,1]=3 71 B7R0.2 CCC(=O)CC(C)=O H69646 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,1,0,0,0,0|1,0,0]=2 73 B7R0.2 CC[C@H](N)CC(=O)O A69512 [0,1,0,0,0,0|1,0,0]=2 74 B7R0.2 COC(=O)CC(=O)O M37882 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [0,1,0,0,0,0|0,0,0]=1 76 B7R0.2 NC[C@H](O)CC(=O)O A67723 [0,1,0,0,0,0|0,0,0]=1 77 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [0,1,0,0,0,0|1,0,0]=2 78 B7R0.3 C=CC(=O)NCCN A41315 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.3 CCCCC(=O)NN P40425 [0,1,0,0,0,0|2,0,0]=3 80 B7R0.3 CCCC[C@@H](N)CO A43512 [0,1,0,0,0,0|2,0,1]=4 81 B7R0.3 CCCOC(=O)OC M40388 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.3 CNCCC(=O)OC M40412 [0,1,0,0,0,0|2,0,0]=3 83 B7R0.3 COC(=N)CCCCl M40379 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.3 COC(=O)C=CCBr M37461 [0,1,0,0,0,0|1,0,2]=4 85 B7R0.3 COC(=O)CCCBr M39189 [0,1,0,0,0,0|1,0,0]=2 86 B7R0.3 COC(=O)CCCCl M60517 [0,1,0,0,0,0|1,0,0]=2 87 B7R0.3 COC(=O)CCCN M32376 [0,1,0,0,0,0|0,0,0]=1 88 B7R0.3 COC(=O)CN=[N+]=[N-] M3461 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.3 COC(=O)CNC=O M40228 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.3 COC(=O)\C=C\CBr M41176 [0,1,0,0,0,0|1,0,2]=4 91 B7R0.4 C#CCCCC(=O)O H43301 [0,1,0,0,0,0|1,0,0]=2 92 B7R0.4 CC(=O)CCCCBr B41532 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.4 CC(=O)OCCCBr B41266 [0,1,0,0,0,0|2,0,0]=3 94 B7R0.4 CC(=O)OCCCCl C39190 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.4 CCCCCB(O)O P38628 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.4 CCCCC[C@H](C)O H43947 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.4 CCCCOC(N)=O B39165 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.4 CCCOCC(=O)O P40387 [0,1,0,0,0,0|1,0,0]=2 99 B7R0.4 CCC\C=C\C(=O)O H41460 [0,1,0,0,0,0|1,0,1]=3 100 B7R0.4 CCOC=CC(=O)O E41226 [0,1,0,0,0,0|1,0,2]=4 101 B7R0.4 CNCCCC(=O)O M63276 [0,1,0,0,0,0|0,0,0]=1 102 B7R0.4 COCCCC(=O)O M67387 [0,1,0,0,0,0|1,0,0]=2 103 B7R0.4 COCCNC(N)=O M36648 [0,1,0,0,0,0|3,0,0]=4 104 B7R0.4 COC\C=C\C(=O)O M63576 [0,1,0,0,0,0|1,0,2]=4 105 B7R0.4 C[C@H](O)CNCCO H40448 [0,1,0,0,0,0|2,0,1]=4 106 B7R0.4 N#CCCCC(=O)O C41166 [0,1,0,0,0,0|0,0,1]=2 107 B7R0.4 NC(=O)COCCCl C40247 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.4 O=C(O)CCCCBr B39187 [0,1,0,0,0,0|1,0,0]=2 109 B7R0.4 O=C(O)CCCCCl C39191 [0,1,0,0,0,0|1,0,0]=2 110 B7R0.4 O=C(O)CCCCO H37199 [0,1,0,0,0,0|1,0,0]=2 111 B7R0.4 O=C(O)CNCCO H40270 [0,1,0,0,0,0|1,0,0]=2 112 B7R0.4 O=C(O)COCCCl C40236 [0,1,0,0,0,0|1,0,0]=2 113 B7R0.4 O=C([O-])CCCCO S41306 [0,1,0,0,0,0|1,0,1]=3 114 B7R0.4 [N-]=[N+]=NCCC(=O)O A1939 [0,1,0,0,0,0|1,0,1]=3 115 B7R0.5 C#CC[C@@H](N)C(=O)O A41167 [0,1,0,0,0,0|1,0,1]=3 116 B7R0.5 C#CC[C@@H](N)C(=O)O A41354 [0,1,0,0,0,0|1,0,1]=3 117 B7R0.5 C#CC[C@H](N)C(=O)O A41168 [0,1,0,0,0,0|1,0,1]=3 118 B7R0.5 C#CC[C@H](N)C(=O)O A41353 [0,1,0,0,0,0|1,0,1]=3 119 B7R0.5 C#CC[C@H](N)C(=O)O A41355 [0,1,0,0,0,0|1,0,1]=3 120 B7R0.5 C=CC[C@@H](N)C(=O)O A41371 [0,1,0,0,0,0|1,0,1]=3 121 B7R0.5 C=CC[C@H](N)C(=O)O A68612 [0,1,0,0,0,0|1,0,1]=3 122 B7R0.5 CCC=C(C)C(=O)O M39198 [0,1,0,0,0,0|1,0,2]=4 123 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [0,1,0,0,0,0|1,0,0]=2 124 B7R0.5 CCC[C@H](O)C(=O)O H40390 [0,1,0,0,0,0|1,0,0]=2 125 B7R0.5 CCOC(=O)C(=O)O E36772 [0,1,0,0,0,0|2,0,1]=4 126 B7R0.5 CC\C=C(/C)C(=O)O M41462 [0,1,0,0,0,0|1,0,2]=4 127 B7R0.5 COC[C@@H](N)C(=O)O A40353 [0,1,0,0,0,0|2,0,0]=3 128 B7R0.5 COC[C@@H](N)C(=O)O A61058 [0,1,0,0,0,0|2,0,0]=3 129 B7R0.5 COC[C@H](Br)C(=O)O B40233 [0,1,0,0,0,0|2,0,0]=3 130 B7R0.5 COC[C@H](N)C(=O)O A40354 [0,1,0,0,0,0|2,0,0]=3 131 B7R0.5 COC[C@H](N)C(=O)O A67760 [0,1,0,0,0,0|2,0,0]=3 132 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [0,1,0,0,0,0|0,0,0]=1 133 B7R0.5 NCC[C@H](F)C(=O)O A63044 [0,1,0,0,0,0|0,0,0]=1 134 B7R0.5 NCC[C@H](N)C(=O)O D37858 [0,1,0,0,0,0|0,0,0]=1 135 B7R0.5 NCC[C@H](N)C(=O)O D68313 [0,1,0,0,0,0|0,0,0]=1 136 B7R0.5 NCC[C@H](O)C(=O)O A39157 [0,1,0,0,0,0|0,0,0]=1 137 B7R0.5 NOC[C@H](N)C(=O)O A39931 [0,1,0,0,0,0|1,0,0]=2 138 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [0,1,0,0,0,0|1,0,0]=2 139 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [0,1,0,0,0,0|1,0,0]=2 140 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [0,1,0,0,0,0|1,0,0]=2 141 B7R0.5 N[C@H](CCO)C(=O)O A68363 [0,1,0,0,0,0|1,0,0]=2 142 B7R0.5 N[C@H](CCS)C(=O)O A66150 [0,1,0,0,0,0|1,0,0]=2 143 B7R0.6 CC(=O)CCC(C)=O H64912 [0,1,0,0,0,0|2,0,1]=4 144 B7R0.6 CN(C)CCC(=O)O D41335 [0,1,0,0,0,0|2,0,0]=3 145 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.6 NC(=O)CCC(=O)O A63078 [0,1,0,0,0,0|0,0,1]=2 147 B7R0.6 O=C(O)CCC(F)F D59737 [0,1,0,0,0,0|1,0,0]=2 148 B7R0.6 O=C([O-])CSC(F)F P64375 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.8 CS(=O)(=O)CCCO M6981 [0,1,0,0,0,0|2,0,1]=4 150 B7R0.8 CS(=O)(=O)NCCN A62326 [0,1,0,0,0,0|2,0,1]=4 151 B7R0.8 NCCCC(F)(F)F T63386 [0,1,0,0,0,0|2,0,1]=4 152 B7R0.8 NCCOS(=O)(=O)O A61952 [0,1,0,0,0,0|2,0,0]=3 153 B7R1.2 CC1=CC(=O)CC1 M22783 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.2 CN1CCC(=O)C1 M5444 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.2 CN1CC[C@@H](N)C1 M0134 [0,0,0,1,0,0|3,0,0]=4 156 B7R1.2 CN1CC[C@H](N)C1 M0133 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.2 CN1CC[C@H](N)C1 M0135 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,0,0,1,0,0|2,0,0]=3 161 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,0,0,1,0,0|3,0,0]=4 162 B7R1.2 NC1=NC(=O)CO1 A39836 [0,0,0,1,0,0|2,0,1]=4 163 B7R1.2 NC1=NC(=O)CS1 A2444 [0,0,0,1,0,0|2,0,1]=4 164 B7R1.2 NC1=NC(=O)CS1 A67692 [0,0,0,1,0,0|2,0,1]=4 165 B7R1.2 NC1=NCC(=O)S1 A64749 [0,0,0,1,0,0|1,1,1]=4 166 B7R1.2 NC1CCC(O)C1 A1764 [0,0,0,1,0,0|1,0,1]=3 167 B7R1.2 N[C@@H]1CC[C@@H](O)C1 A27718 [0,0,0,1,0,0|1,0,1]=3 168 B7R1.2 N[C@@H]1CC[C@H](O)C1 A11831 [0,0,0,1,0,0|1,0,1]=3 169 B7R1.2 N[C@@H]1CC[C@H](O)C1 A18160 [0,0,0,1,0,0|1,0,1]=3 170 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [0,0,0,1,0,0|2,0,0]=3 172 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,0,0,1,0,0|2,0,0]=3 175 B7R1.2 N[C@H]1CC[C@@H](F)C1 F60334 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.2 N[C@H]1CC[C@@H](N)C1 C41386 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.2 N[C@H]1CC[C@@H](O)C1 A18401 [0,0,0,1,0,0|1,0,1]=3 178 B7R1.2 N[C@H]1CC[C@H](N)C1 C41388 [0,0,0,1,0,0|2,0,1]=4 179 B7R1.2 N[C@H]1CC[C@H](O)C1 A11832 [0,0,0,1,0,0|1,0,1]=3 180 B7R1.2 N[C@H]1CC[C@H](O)C1 A20210 [0,0,0,1,0,0|1,0,1]=3 181 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [0,0,0,1,0,0|2,0,0]=3 182 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,0,0,1,0,0|2,0,0]=3 183 B7R1.2 O=C1CCC(=O)C1 C13761 [0,0,0,1,0,0|2,0,1]=4 184 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,0,0,1,0,0|2,0,0]=3 185 B7R1.2 O=C1CNC(=O)O1 X68377 [0,0,0,1,0,0|2,0,1]=4 186 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [0,0,0,1,0,0|3,0,0]=4 187 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [0,0,0,1,0,0|3,0,0]=4 188 B7R1.2 O=C1C[C@H](O)CN1 H15629 [0,0,0,1,0,0|3,0,0]=4 189 B7R1.2 O=C1C[C@H](O)CN1 H38056 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.2 O=C1OC[C@H](F)O1 F39135 [0,0,0,1,0,0|2,0,0]=3 191 B7R1.2 OC1CCC(O)C1 C24450 [0,0,0,1,0,0|2,0,1]=4 192 B7R1.2 O[C@@H]1CC[C@@H](O)C1 C20800 [0,0,0,1,0,0|2,0,1]=4 193 B7R1.2 O[C@H]1CC[C@@H](O)C1 C20799 [0,0,0,1,0,0|2,0,1]=4 194 B7R1.3 CC1=CCCNC1 M12102 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.3 C[C@@H]1CCCNC1 M43474 [0,0,0,1,0,0|2,0,1]=4 196 B7R1.3 F[C@@H]1CCCNC1 F7495 [0,0,0,1,0,0|2,0,1]=4 197 B7R1.3 F[C@H]1CCCNC1 F1651 [0,0,0,1,0,0|2,0,1]=4 198 B7R1.3 F[C@H]1CCCNC1 F7461 [0,0,0,1,0,0|2,0,1]=4 199 B7R1.3 N[C@@H]1CCCNC1 A10836 [0,0,0,1,0,0|2,0,1]=4 200 B7R1.3 N[C@@H]1CCCNC1 P32424 [0,0,0,1,0,0|2,0,1]=4 201 B7R1.3 N[C@H]1CCCNC1 P41385 [0,0,0,1,0,0|2,0,1]=4 202 B7R1.3 N[C@H]1CCCNC1 P67457 [0,0,0,1,0,0|2,0,1]=4 203 B7R1.3 O=C1C=CCCN1 D67780 [0,0,0,1,0,0|3,0,0]=4 204 B7R1.3 O=C1C=CCOC1 P26982 [0,0,0,1,0,0|3,0,0]=4 205 B7R1.3 O=C1CCCCN1 P69632 [0,0,0,1,0,0|2,0,0]=3 206 B7R1.3 O=C1CCCNC1 P1523 [0,0,0,1,0,0|1,0,0]=2 207 B7R1.3 O=C1CCCNC1 P31811 [0,0,0,1,0,0|1,0,0]=2 208 B7R1.3 O=C1CCCOC1 T7026 [0,0,0,1,0,0|2,0,0]=3 209 B7R1.3 O=C1CCCSC1 T1776 [0,0,0,1,0,0|2,0,0]=3 210 B7R1.3 O=C1CCNCC1 P23503 [0,0,0,1,0,0|3,0,0]=4 211 B7R1.3 O=C1CCOCC1 T4632 [0,0,0,1,0,0|3,0,0]=4 212 B7R1.3 O=C1CCSCC1 T6200 [0,0,0,1,0,0|3,0,0]=4 213 B7R1.3 O=C1CNCCN1 P10419 [0,0,0,1,0,0|2,0,0]=3 214 B7R1.3 O=C1COCCN1 M7700 [0,0,0,1,0,0|3,0,0]=4 215 B7R1.3 O=C1COCCO1 D38663 [0,0,0,1,0,0|2,0,0]=3 216 B7R1.3 O=C1CSCCN1 T40230 [0,0,0,1,0,0|3,0,0]=4 217 B7R1.3 O[C@@H]1CCCNC1 H12298 [0,0,0,1,0,0|1,0,1]=3 218 B7R1.3 O[C@@H]1CCCNC1 H1652 [0,0,0,1,0,0|1,0,1]=3 219 B7R1.3 O[C@@H]1CCCOC1 T15984 [0,0,0,1,0,0|2,0,1]=4 220 B7R1.3 O[C@@H]1CNCCO1 M40347 [0,0,0,1,0,0|2,0,1]=4 221 B7R1.3 O[C@H]1CCCNC1 H0276 [0,0,0,1,0,0|1,0,1]=3 222 B7R1.3 O[C@H]1CCCNC1 H10264 [0,0,0,1,0,0|1,0,1]=3 223 B7R1.3 O[C@H]1CCCNC1 H10265 [0,0,0,1,0,0|1,0,1]=3 224 B7R1.3 O[C@H]1CCCNC1 H4736 [0,0,0,1,0,0|1,0,1]=3 225 B7R1.3 O[C@H]1CCCOC1 H11398 [0,0,0,1,0,0|2,0,1]=4 226 B7R1.3 O[C@H]1CCCOC1 T25087 [0,0,0,1,0,0|2,0,1]=4 227 B7R1.3 S[C@H]1CCCNC1 P15399 [0,0,0,1,0,0|1,1,1]=4 228 B7R1.5 CCC[C@@H]1ON1C M65450 [0,0,0,1,0,0|3,0,0]=4 229 B7R1.10 CN1CC(CN)C1 M7239 [0,0,0,1,0,0|3,0,0]=4 230 B7R1.10 N#CC1CC(=O)C1 X10543 [0,0,0,1,0,0|1,0,2]=4 231 B7R1.10 NCC1CC(=O)C1 SB7355 [0,0,0,1,0,0|1,0,0]=2 232 B7R1.10 NCC1CC(O)C1 A12368 [0,0,0,1,0,0|1,0,1]=3 233 B7R1.10 NCC1CC(O)C1 A7528 [0,0,0,1,0,0|1,0,1]=3 234 B7R1.10 NC[C@H]1C[C@@H](F)C1 F14480 [0,0,0,1,0,0|2,0,1]=4 235 B7R1.10 NC[C@H]1C[C@@H](O)C1 A0603 [0,0,0,1,0,0|1,0,1]=3 236 B7R1.10 NC[C@H]1C[C@@H](O)C1 A7737 [0,0,0,1,0,0|1,0,1]=3 237 B7R1.10 NC[C@H]1C[C@H](F)C1 F11496 [0,0,0,1,0,0|2,0,1]=4 238 B7R1.10 NC[C@H]1C[C@H](O)C1 A0604 [0,0,0,1,0,0|1,0,1]=3 239 B7R1.10 NC[C@H]1C[C@H](O)C1 A10510 [0,0,0,1,0,0|1,0,1]=3 240 B7R1.10 O=C1CC(CBr)C1 B11904 [0,0,0,1,0,0|2,0,0]=3 241 B7R1.10 O=C1CC(CO)C1 H0725 [0,0,0,1,0,0|2,0,0]=3 242 B7R1.10 OCC1CC(O)C1 H40382 [0,0,0,1,0,0|2,0,1]=4 243 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,0,0,1,0,0|1,0,0]=2 244 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,0,0,1,0,0|1,0,0]=2 245 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,0,0,1,0,0|1,0,0]=2 246 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,0,0,1,0,0|1,0,0]=2 247 B7R1.12 O=C(O)C1CC1F F20460 [0,0,0,1,0,0|1,0,0]=2 248 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [0,0,0,1,0,0|1,0,0]=2 249 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [0,0,0,1,0,0|1,0,0]=2 250 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [0,0,0,1,0,0|1,0,0]=2 251 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [0,0,0,1,0,0|1,0,0]=2 252 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [0,0,0,1,0,0|1,0,0]=2 253 B7R1.14 CC1(C)CCCN1 D24602 [0,0,0,1,0,0|2,0,1]=4 254 B7R1.14 CC1(O)CCCC1 M41551 [0,0,0,1,0,0|2,0,1]=4 255 B7R1.14 O=S1(=O)CCCN1 P12719 [0,0,0,1,0,0|1,0,1]=3 256 B7R1.14 O=S1(=O)CCCO1 X68360 [0,0,0,1,0,0|2,0,1]=4 257 B7R1.14 O=S1(=O)NCCO1 D11396 [0,0,0,1,0,0|2,0,1]=4 258 B7R1.18 CC(=O)C1CCC1 C22926 [0,0,0,1,0,0|2,0,0]=3 259 B7R1.18 CC(=O)C1CNC1 A18542 [0,0,0,1,0,0|3,0,0]=4 260 B7R1.18 N=C(N)C1CCC1 C11379 [0,0,0,1,0,0|3,0,0]=4 261 B7R1.18 NC(=O)C1CCC1 C36760 [0,0,0,1,0,0|2,0,0]=3 262 B7R1.18 NC(=O)C1CNC1 A0189 [0,0,0,1,0,0|3,0,0]=4 263 B7R1.18 NC(=O)C1CNC1 A10232 [0,0,0,1,0,0|3,0,0]=4 264 B7R1.18 O=C(O)C1CCC1 C39184 [0,0,0,1,0,0|1,0,0]=2 265 B7R1.18 O=C(O)C1CNC1 A0022 [0,0,0,1,0,0|2,0,0]=3 266 B7R1.18 O=C(O)C1CNC1 A62344 [0,0,0,1,0,0|2,0,0]=3 267 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [0,0,0,1,0,0|0,0,0]=1 268 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [0,0,0,1,0,0|0,0,0]=1 269 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [0,0,0,1,0,0|1,0,0]=2 270 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [0,0,0,1,0,0|1,0,0]=2 271 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [0,0,0,1,0,0|0,0,0]=1 272 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [0,0,0,1,0,0|0,0,0]=1 273 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [0,0,0,1,0,0|1,0,0]=2 274 B7R1.18 OB(O)C1CCC1 C38656 [0,0,0,1,0,0|2,0,1]=4 275 B7R1.20 O=C(O)CC1CC1 C11216 [0,0,0,1,0,0|1,0,0]=2 276 B4R0.1 CC(=O)CN A38843 [2,0,0,0,0,0|1,0,0]=3 277 B4R0.1 CC(=O)CO H60801 [2,0,0,0,0,0|2,0,0]=4 278 B4R0.1 CC(=O)NN A64932 [2,0,0,0,0,0|2,0,0]=4 279 B4R0.1 CCB(O)O E3108 [2,0,0,0,0,0|1,0,1]=4 280 B4R0.1 CCC(=N)N P39882 [2,0,0,0,0,0|2,0,0]=4 281 B4R0.1 CCC(=N)N P39927 [2,0,0,0,0,0|2,0,0]=4 282 B4R0.1 CCC(N)=O P68920 [2,0,0,0,0,0|1,0,0]=3 283 B4R0.1 CC[S@](=O)[O-] S39781 [2,0,0,0,0,0|1,0,1]=4 284 B4R0.1 C[C@@H](O)CN A67482 [2,0,0,0,0,0|1,0,1]=4 285 B4R0.1 C[C@H](O)CN A69178 [2,0,0,0,0,0|1,0,1]=4 286 B4R0.1 NC(=O)CBr B39771 [2,0,0,0,0,0|2,0,0]=4 287 B4R0.1 NC(=O)CI K60849 [2,0,0,0,0,0|2,0,0]=4 288 B4R0.1 NC(=O)CO H68919 [2,0,0,0,0,0|2,0,0]=4 289 B4R0.1 NCC(N)=O G69255 [2,0,0,0,0,0|1,0,0]=3 290 B4R0.1 NNC(N)=O S69135 [2,0,0,0,0,0|2,0,0]=4 291 B4R0.2 BrCCCBr D69412 [2,0,0,0,0,0|2,0,0]=4 292 B4R0.2 C#CCCN B40327 [2,0,0,0,0,0|0,0,2]=4 293 B4R0.2 C#CCCO B26554 [2,0,0,0,0,0|1,0,1]=4 294 B4R0.2 C=CCCN B21913 [2,0,0,0,0,0|0,0,1]=3 295 B4R0.2 C=CCCO B40252 [2,0,0,0,0,0|1,0,1]=4 296 B4R0.2 C=CCON A39923 [2,0,0,0,0,0|1,0,1]=4 297 B4R0.2 CCCNN P39906 [2,0,0,0,0,0|1,0,1]=4 298 B4R0.2 CSCCN M62136 [2,0,0,0,0,0|1,0,1]=4 299 B4R0.2 ClCCCI C1367 [2,0,0,0,0,0|2,0,0]=4 300 B4R0.2 ICCCI D39865 [2,0,0,0,0,0|2,0,0]=4 301 B4R0.2 N#CCCN C64951 [2,0,0,0,0,0|1,0,1]=4 302 B4R0.2 N#CCCO H67414 [2,0,0,0,0,0|0,0,2]=4 303 B4R0.2 NCCCCl C37835 [2,0,0,0,0,0|1,0,0]=3 304 B4R0.2 NCCCO A69322 [2,0,0,0,0,0|0,0,0]=2 305 B4R0.2 NOCCO A39786 [2,0,0,0,0,0|1,0,0]=3 306 B4R0.2 OCCCBr B39137 [2,0,0,0,0,0|1,0,0]=3 307 B4R0.2 OCCCO P69117 [2,0,0,0,0,0|1,0,0]=3 308 B6R0.1 C#CCC(=O)OC M41116 [1,1,0,0,0,0|0,0,2]=4 309 B6R0.1 CC#CC(=O)OC M62298 [1,1,0,0,0,0|0,0,2]=4 310 B6R0.1 CCC[C@H](N)CO A40443 [1,1,0,0,0,0|1,0,1]=4 311 B6R0.1 CCC[C@H](N)CO A66421 [1,1,0,0,0,0|1,0,1]=4 312 B6R0.1 CCOC(=O)C#N E15572 [1,1,0,0,0,0|2,0,0]=4 313 B6R0.1 CCOC(=O)CN G69291 [1,1,0,0,0,0|2,0,0]=4 314 B6R0.1 CCOC(=O)CO E37817 [1,1,0,0,0,0|1,0,0]=3 315 B6R0.1 CCOC(=O)NN E39139 [1,1,0,0,0,0|2,0,0]=4 316 B6R0.1 CCOC(=O)OC E40254 [1,1,0,0,0,0|1,0,0]=3 317 B6R0.1 CCO\C(C)=N\O E68624 [1,1,0,0,0,0|2,0,0]=4 318 B6R0.1 CNC(=O)CCN A40306 [1,1,0,0,0,0|1,0,0]=3 319 B6R0.1 COC(=O)CC#N M68915 [1,1,0,0,0,0|0,0,2]=4 320 B6R0.1 COC(=O)CCBr M39155 [1,1,0,0,0,0|1,0,0]=3 321 B6R0.1 COC(=O)CCN M67902 [1,1,0,0,0,0|0,0,0]=2 322 B6R0.1 COC(=O)CCO M24551 [1,1,0,0,0,0|1,0,0]=3 323 B6R0.1 COC(=O)OCCl C62332 [1,1,0,0,0,0|2,0,0]=4 324 B6R0.1 COCC(=O)NN M39884 [1,1,0,0,0,0|2,0,0]=4 325 B6R0.2 CC(=O)NC(C)C P40402 [1,1,0,0,0,0|2,0,0]=4 326 B6R0.2 CC(=O)O[C@H](C)Br B40231 [1,1,0,0,0,0|2,0,0]=4 327 B6R0.2 CC(C)CB(O)O M4460 [1,1,0,0,0,0|1,0,1]=4 328 B6R0.2 CN(C)CC(=O)Cl D40251 [1,1,0,0,0,0|2,0,0]=4 329 B6R0.2 C[C@@H](N)CC(=O)O A37837 [1,1,0,0,0,0|0,0,0]=2 330 B6R0.2 C[C@@H](N)CC(=O)O A40348 [1,1,0,0,0,0|0,0,0]=2 331 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [1,1,0,0,0,0|0,0,1]=3 332 B6R0.2 C[C@@H](O)C[C@@H](C)O P40432 [1,1,0,0,0,0|1,0,1]=4 333 B6R0.2 C[C@H](N)CC(=O)O A40265 [1,1,0,0,0,0|0,0,0]=2 334 B6R0.2 C[C@H](O)CC(=O)O H38871 [1,1,0,0,0,0|0,0,0]=2 335 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [1,1,0,0,0,0|0,0,1]=3 336 B6R0.2 C[C@H](O)C[C@H](C)O P40433 [1,1,0,0,0,0|1,0,1]=4 337 B6R0.2 N=C(N)CC(N)=O M69124 [1,1,0,0,0,0|1,0,1]=4 338 B6R0.3 C=C(CBr)C(=O)O B40169 [1,1,0,0,0,0|1,0,1]=4 339 B6R0.3 C=C[C@H](C)C(=O)O M60559 [1,1,0,0,0,0|0,0,2]=4 340 B6R0.3 C=C[C@H](N)C(=O)O A40334 [1,1,0,0,0,0|0,0,2]=4 341 B6R0.3 CCC(=O)C(=O)[O-] S40297 [1,1,0,0,0,0|0,0,2]=4 342 B6R0.3 CCN(C)C(=O)Cl E40250 [1,1,0,0,0,0|2,0,0]=4 343 B6R0.3 CCN(C)C(C)=O E40404 [1,1,0,0,0,0|2,0,0]=4 344 B6R0.3 CC[C@@H](C)C(=O)O M40381 [1,1,0,0,0,0|0,0,0]=2 345 B6R0.3 CC[C@@H](N)C(N)=O A40305 [1,1,0,0,0,0|1,0,0]=3 346 B6R0.3 CC[C@H](C)B(O)O B39967 [1,1,0,0,0,0|1,0,1]=4 347 B6R0.3 CC[C@H](N)C(=O)O A40349 [1,1,0,0,0,0|0,0,0]=2 348 B6R0.3 CC[C@H](N)C(=O)O A68376 [1,1,0,0,0,0|0,0,0]=2 349 B6R0.3 CC[C@H](N)C(N)=O A64477 [1,1,0,0,0,0|1,0,0]=3 350 B6R0.3 CC[C@H](O)C(=O)O H23105 [1,1,0,0,0,0|0,0,0]=2 351 B6R0.3 CN[C@@H](C)C(=O)O M68914 [1,1,0,0,0,0|1,0,0]=3 352 B6R0.3 CN[C@H](C)C(=O)O M63076 [1,1,0,0,0,0|1,0,0]=3 353 B6R0.3 CO[C@@H](C)C(=O)O M11053 [1,1,0,0,0,0|1,0,0]=3 354 B6R0.3 CO[C@@H](C)C(=O)O M69861 [1,1,0,0,0,0|1,0,0]=3 355 B6R0.3 CO[C@H](C)C(=O)O M8894 [1,1,0,0,0,0|1,0,0]=3 356 B6R0.3 C[C@H](CN)C(=O)O A40352 [1,1,0,0,0,0|0,0,0]=2 357 B6R0.3 NC(=O)[C@H](N)CO A39930 [1,1,0,0,0,0|2,0,0]=4 358 B6R0.3 NC[C@@H](O)C(=O)O A39878 [1,1,0,0,0,0|0,0,0]=2 359 B6R0.3 NC[C@H](N)C(=O)O D39929 [1,1,0,0,0,0|0,0,0]=2 360 B6R0.3 NC[C@H](O)C(=O)O S39877 [1,1,0,0,0,0|0,0,0]=2 361 B6R0.3 N[C@@H](CS)C(=O)O A39926 [1,1,0,0,0,0|1,0,0]=3 362 B6R0.3 N[C@H](CCl)C(=O)O A39869 [1,1,0,0,0,0|1,0,0]=3 363 B6R0.3 N[C@H](CCl)C(=O)O A63558 [1,1,0,0,0,0|1,0,0]=3 364 B6R0.3 N[C@H](CS)C(=O)O A37860 [1,1,0,0,0,0|1,0,0]=3 365 B6R0.3 N[C@H](CS)C(=O)O C67456 [1,1,0,0,0,0|1,0,0]=3 366 B6R0.3 N[C@H](CS)C(=O)O C69203 [1,1,0,0,0,0|1,0,0]=3 367 B6R0.3 O=C(O)[C@@H](Br)CBr D39848 [1,1,0,0,0,0|1,0,0]=3 368 B6R0.3 O=C(O)[C@@H](O)CO D38851 [1,1,0,0,0,0|1,0,0]=3 369 B6R0.5 CC(C)(O)CCN A61563 [1,1,0,0,0,0|1,0,1]=4 370 B6R0.5 CCCS(N)(=O)=O P39891 [1,1,0,0,0,0|1,0,1]=4 371 B6R0.5 CS(=O)(=O)CCN M37292 [1,1,0,0,0,0|1,0,1]=4 372 B6R0.5 NCCS(N)(=O)=O A39798 [1,1,0,0,0,0|1,0,1]=4 373 B6R0.5 O=P(O)(O)CCBr B39783 [1,1,0,0,0,0|2,0,0]=4 374 B6R0.5 O=S(=O)(O)CCO H69249 [1,1,0,0,0,0|2,0,0]=4 375 B6R0.6 C#CCCCCO H41456 [1,1,0,0,0,0|1,0,1]=4 376 B6R0.6 C=CCCCCBr B9212 [1,1,0,0,0,0|2,0,0]=4 377 B6R0.6 C=CCCCCO H41549 [1,1,0,0,0,0|1,0,1]=4 378 B6R0.6 C=CCCCC[Mg+] H5025 [1,1,0,0,0,0|2,0,0]=4 379 B6R0.6 C=COCCON V65141 [1,1,0,0,0,0|2,0,0]=4 380 B6R0.6 CC=CCCCO H41548 [1,1,0,0,0,0|2,0,0]=4 381 B6R0.6 CCCCCNC M41618 [1,1,0,0,0,0|1,0,1]=4 382 B6R0.6 CCC\C=C\CO H41550 [1,1,0,0,0,0|1,0,1]=4 383 B6R0.6 CNCCCCBr B40429 [1,1,0,0,0,0|1,0,1]=4 384 B6R0.6 CNCCCCO M38840 [1,1,0,0,0,0|0,0,1]=3 385 B6R0.6 COCCCCBr B40422 [1,1,0,0,0,0|1,0,1]=4 386 B6R0.6 N#CCCCCN A6983 [1,1,0,0,0,0|1,0,1]=4 387 B6R0.6 NCCNCCO A68374 [1,1,0,0,0,0|0,0,1]=3 388 B6R0.6 NCCOCCN X39968 [1,1,0,0,0,0|1,0,1]=4 389 B6R0.6 NCCOCCN X40357 [1,1,0,0,0,0|1,0,1]=4 390 B6R0.6 O=CCCCCCl C41277 [1,1,0,0,0,0|1,0,0]=3 391 B6R0.6 O=CCCCCO H32202 [1,1,0,0,0,0|1,0,0]=3 392 B6R0.6 OCCOCCCl C60784 [1,1,0,0,0,0|1,0,1]=4 393 B6R0.6 OCCOCCO D43939 [1,1,0,0,0,0|1,0,1]=4 394 B6R0.6 [N-]=[N+]=NCCCN A2033 [1,1,0,0,0,0|2,0,0]=4 395 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O A61564 [0,2,0,0,0,0|2,0,0]=4 396 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O A68038 [0,2,0,0,0,0|2,0,0]=4 397 B8R0.5 C=CC[C@@H](N)CC(=O)O A43439 [0,2,0,0,0,0|1,0,0]=3 398 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [0,2,0,0,0,0|1,0,0]=3 399 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [0,2,0,0,0,0|1,0,1]=4 400 B8R0.19 CCC(=O)CC(=O)OC M39036 [0,2,0,0,0,0|1,0,1]=4 401 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [0,2,0,0,0,0|1,0,0]=3 402 B8R0.19 COC(=O)CC(=O)CCl M61620 [0,2,0,0,0,0|1,0,1]=4 403 B8R0.19 COC(=O)C[C@@H](O)CCl M41276 [0,2,0,0,0,0|1,0,0]=3 404 B8R0.23 CC(=O)C[C@H](C)C(=O)O M14719 [0,2,0,0,0,0|1,0,1]=4 405 B8R0.23 CC(C)C[C@@H](N)C(=O)O L64923 [0,2,0,0,0,0|1,0,0]=3 406 B8R0.23 CC(C)C[C@@H](O)C(=O)O H41559 [0,2,0,0,0,0|1,0,0]=3 407 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41525 [0,2,0,0,0,0|1,0,0]=3 408 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41526 [0,2,0,0,0,0|1,0,0]=3 409 B8R0.23 CC(C)C[C@H](O)C(=O)O H37072 [0,2,0,0,0,0|1,0,0]=3 410 B8R0.23 CC(C)[C@@H](N)CC(=O)O A67729 [0,2,0,0,0,0|1,0,0]=3 411 B8R0.23 CC(C)[C@H](N)CC(=O)O A38977 [0,2,0,0,0,0|1,0,0]=3 412 B8R0.23 CC(C)[C@H](N)CC(=O)O A43501 [0,2,0,0,0,0|1,0,0]=3 413 B8R0.23 C[C@@H](CC(=O)O)C(=O)O M41232 [0,2,0,0,0,0|1,0,1]=4 414 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O A41340 [0,2,0,0,0,0|1,0,0]=3 415 B8R0.23 N[C@@H](CC(=O)O)C(=O)O A68901 [0,2,0,0,0,0|1,0,1]=4 416 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] A60886 [0,2,0,0,0,0|1,0,1]=4 417 B8R0.23 N[C@@H](CS(=O)O)C(=O)O A69057 [0,2,0,0,0,0|2,0,0]=4 418 B8R0.34 CC(C)(CN)CC(=O)O A60787 [0,2,0,0,0,0|0,0,0]=2 419 B8R0.34 CC(C)(CN)CC(=O)O A67050 [0,2,0,0,0,0|0,0,0]=2 420 B8R0.1 C#CCCC(=O)CCO H6251 [0,2,0,0,0,0|1,0,1]=4 421 B8R0.1 CCOC(=O)CCC#N E63052 [0,2,0,0,0,0|0,0,2]=4 422 B8R0.1 CCOC(=O)CCCBr B69333 [0,2,0,0,0,0|1,0,0]=3 423 B8R0.1 CCOC(=O)CCCI E31893 [0,2,0,0,0,0|1,0,0]=3 424 B8R0.1 CCOC(=O)CCCN E43487 [0,2,0,0,0,0|0,0,0]=2 425 B8R0.1 CCOC(=O)CCNC E41584 [0,2,0,0,0,0|2,0,0]=4 426 B8R0.1 CCOC(=O)CCSC E39202 [0,2,0,0,0,0|2,0,0]=4 427 B8R0.1 CCOCC(=O)OCC E41554 [0,2,0,0,0,0|2,0,0]=4 428 B8R0.3 C=CC[C@H](N)C(=O)OC M37082 [0,2,0,0,0,0|1,0,1]=4 429 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [0,2,0,0,0,0|1,0,0]=3 430 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [0,2,0,0,0,0|1,0,0]=3 431 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [0,2,0,0,0,0|2,0,0]=4 432 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [0,2,0,0,0,0|2,0,0]=4 433 B8R0.6 CCCC=CC(=O)OC M43802 [0,2,0,0,0,0|1,0,1]=4 434 B8R0.6 CCCCCC(=O)CBr B43868 [0,2,0,0,0,0|2,0,0]=4 435 B8R0.6 CCCCNC(=O)CCl B41547 [0,2,0,0,0,0|2,0,0]=4 436 B8R0.6 CNCCCC(=O)OC M43486 [0,2,0,0,0,0|0,0,0]=2 437 B8R0.6 COC(=O)CCCCBr M41523 [0,2,0,0,0,0|1,0,0]=3 438 B8R0.6 COC(=O)CCCCCl M63406 [0,2,0,0,0,0|1,0,0]=3 439 B8R0.6 COC(=O)CCCCN M43490 [0,2,0,0,0,0|0,0,0]=2 440 B8R0.6 COC(=O)COCCCl M41275 [0,2,0,0,0,0|1,0,0]=3 441 B8R0.6 COCCCC(=O)OC M68350 [0,2,0,0,0,0|1,0,0]=3 442 B8R0.6 NCCCC[C@H](N)CO D43570 [0,2,0,0,0,0|1,0,1]=4 443 B8R0.8 C=CCC[C@H](N)C(=O)O A41502 [0,2,0,0,0,0|1,0,0]=3 444 B8R0.8 CC#CC[C@H](N)C(=O)O A32035 [0,2,0,0,0,0|1,0,1]=4 445 B8R0.8 CCCCC(=O)[C@H](C)N A46508 [0,2,0,0,0,0|2,0,0]=4 446 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [0,2,0,0,0,0|1,0,0]=3 447 B8R0.8 CSCCC(O)C(=O)[O-] C54080 [0,2,0,0,0,0|1,0,1]=4 448 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [0,2,0,0,0,0|1,0,0]=3 449 B8R0.9 COC(=O)CCC(=O)Cl C6883 [0,2,0,0,0,0|1,0,1]=4 450 B8R0.9 COC(=O)CCC(=O)O M37827 [0,2,0,0,0,0|1,0,1]=4 451 B8R0.7 C#CCCCCC(=O)O H43713 [0,2,0,0,0,0|1,0,0]=3 452 B8R0.7 C#CCOCCC(=O)O P43310 [0,2,0,0,0,0|1,0,0]=3 453 B8R0.7 C=CCCCCC(=O)O H63383 [0,2,0,0,0,0|1,0,0]=3 454 B8R0.7 COCCOCC(=O)O M37948 [0,2,0,0,0,0|1,0,0]=3 455 B8R0.7 N=C(N)NCCCCN A37883 [0,2,0,0,0,0|2,0,0]=4 456 B8R0.7 N=C(N)NCCCCN A41393 [0,2,0,0,0,0|2,0,0]=4 457 B8R0.7 NCCNCCC(=O)[O-] S41302 [0,2,0,0,0,0|0,0,1]=3 458 B8R0.7 NCCOCCC(=O)O A40415 [0,2,0,0,0,0|0,0,0]=2 459 B8R0.7 O=C(O)CCCCCBr B67880 [0,2,0,0,0,0|1,0,0]=3 460 B8R0.7 O=C(O)CCCCCCl C41527 [0,2,0,0,0,0|1,0,0]=3 461 B8R0.7 O=C(O)CCOCCBr B41274 [0,2,0,0,0,0|1,0,0]=3 462 B8R0.7 O=C([O-])CCCCCO P41406 [0,2,0,0,0,0|1,0,1]=4 463 B8R0.7 [N-]=[N+]=NCCCC(=O)O A1941 [0,2,0,0,0,0|0,0,1]=3 464 B8R0.21 NCCCCP(=O)(O)O A69195 [0,2,0,0,0,0|1,0,0]=3 465 B8R0.21 O=S(=O)(O)CCCCO H39961 [0,2,0,0,0,0|2,0,0]=4 466 B8R0.28 CC(=O)CCCC(=O)O A41468 [0,2,0,0,0,0|1,0,0]=3 467 B8R0.28 CC(=O)NCCC(=O)O A60540 [0,2,0,0,0,0|1,0,1]=4 468 B8R0.28 CN(C)CCCC(=O)O D43497 [0,2,0,0,0,0|0,0,0]=2 469 B8R0.28 CN(C)C\C=C\C(=O)O D25643 [0,2,0,0,0,0|0,0,2]=4 470 B8R0.12 C=CCC(C)(C)C(=O)O D38170 [0,2,0,0,0,0|1,0,1]=4 471 B8R0.12 C=CCC(F)(F)C(=O)O D68045 [0,2,0,0,0,0|1,0,1]=4 472 B8R0.29 CC(C)(C)NCC(=O)O B43496 [0,2,0,0,0,0|2,0,0]=4 473 B8R0.29 CC(C)(C)OCC(=O)O B41556 [0,2,0,0,0,0|2,0,0]=4 474 B8R0.29 CS(=O)(=O)CCC(=O)O M40261 [0,2,0,0,0,0|2,0,0]=4 475 B8R0.29 NS(=O)(=O)CCC(=O)O A9689 [0,2,0,0,0,0|1,0,0]=3 476 B8R0.29 O=C(O)CCC(F)(F)F T23562 [0,2,0,0,0,0|1,0,0]=3 477 B6R1.2 CC1=NCCC1 M41239 [1,0,0,1,0,0|2,0,0]=4 478 B6R1.2 NC1=NCCC1 D38561 [1,0,0,1,0,0|2,0,0]=4 479 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,1,0,0|1,0,1]=4 480 B6R1.2 O=C1C=CCO1 F5673 [1,0,0,1,0,0|0,0,2]=4 481 B6R1.2 O=C1CCNC1 P0198 [1,0,0,1,0,0|1,0,0]=3 482 B6R1.2 O=C1CCNN1 P39917 [1,0,0,1,0,0|1,0,0]=3 483 B6R1.2 O=C1CCOC1 X0391 [1,0,0,1,0,0|2,0,0]=4 484 B6R1.2 O=C1CCSC1 D10906 [1,0,0,1,0,0|2,0,0]=4 485 B6R1.2 O=C1NCCN1 K62398 [1,0,0,1,0,0|2,0,0]=4 486 B6R1.2 O=C1NCCS1 T39859 [1,0,0,1,0,0|1,1,0]=4 487 B6R1.2 O[C@@H]1CCNC1 H7458 [1,0,0,1,0,0|1,0,1]=4 488 B6R1.2 O[C@@H]1CCNC1 P4643 [1,0,0,1,0,0|1,0,1]=4 489 B6R1.2 O[C@H]1CCNC1 H0275 [1,0,0,1,0,0|1,0,1]=4 490 B6R1.2 O[C@H]1CCNC1 H7496 [1,0,0,1,0,0|1,0,1]=4 491 B6R1.2 O[C@H]1CCNC1 P0679 [1,0,0,1,0,0|1,0,1]=4 492 B6R1.5 CC1CC(=O)C1 M17286 [1,0,0,1,0,0|1,0,0]=3 493 B6R1.5 NC1CC(=O)C1 A0660 [1,0,0,1,0,0|1,0,0]=3 494 B6R1.5 NC1CC(O)C1 A0319 [1,0,0,1,0,0|1,0,1]=4 495 B6R1.5 NC1CC(O)C1 A23779 [1,0,0,1,0,0|1,0,1]=4 496 B6R1.5 N[C@H]1C[C@@H](O)C1 A0711 [1,0,0,1,0,0|1,0,1]=4 497 B6R1.5 N[C@H]1C[C@@H](O)C1 A15550 [1,0,0,1,0,0|1,0,1]=4 498 B6R1.5 N[C@H]1C[C@H](O)C1 A0712 [1,0,0,1,0,0|1,0,1]=4 499 B6R1.5 N[C@H]1C[C@H](O)C1 SB8170 [1,0,0,1,0,0|1,0,1]=4 500 B6R1.5 O=C1CC(Br)C1 B8012 [1,0,0,1,0,0|2,0,0]=4 501 B6R1.5 O=C1CC(F)C1 F13109 [1,0,0,1,0,0|2,0,0]=4 502 B6R1.5 O=C1CC(O)C1 H10121 [1,0,0,1,0,0|2,0,0]=4 503 B6R1.10 O=S1(=O)CCC1 T5974 [1,0,0,1,0,0|1,0,1]=4 504 B6R1.11 N=C(N)C1CC1 C1448 [1,0,0,1,0,0|2,0,0]=4 505 B6R1.11 O=C(O)C1CC1 C69104 [1,0,0,1,0,0|0,0,0]=2 506 B6R1.11 OB(O)C1CC1 C2414 [1,0,0,1,0,0|1,0,1]=4 507 B6R1.1 C1=CCNCC1 T0540 [1,0,0,1,0,0|1,0,1]=4 508 B6R1.1 C1CCNCC1 P67647 [1,0,0,1,0,0|1,0,1]=4 509 B6R1.1 C1CCNNC1 H8288 [1,0,0,1,0,0|1,0,1]=4 510 B6R1.1 C1CCONC1 X13780 [1,0,0,1,0,0|0,0,1]=3 511 B6R1.1 C1CCONC1 X40342 [1,0,0,1,0,0|0,0,1]=3 512 B6R1.1 C1CNCOC1 X40263 [1,0,0,1,0,0|2,0,0]=4 513 B6R1.4 C[C@@H]1OCC1=O M61882 [1,0,0,1,0,0|2,0,0]=4 514 B6R1.4 C[C@H]1COC1=O M6342 [1,0,0,1,0,0|2,0,0]=4 515 B6R1.4 N[C@@H]1CNC1=O A60450 [1,0,0,1,0,0|1,0,0]=3 516 B6R1.4 N[C@H]1CNC1=O A39918 [1,0,0,1,0,0|1,0,0]=3 517 B6R1.6 BrC[C@H]1CCO1 B0614 [1,0,0,1,0,0|1,0,1]=4 518 B6R1.6 CN[C@@H]1CCN1 A7337 [1,0,0,1,0,0|2,0,0]=4 519 B6R1.6 IC[C@H]1CCO1 I6940 [1,0,0,1,0,0|1,0,1]=4 520 B6R1.6 N#C[C@H]1CCN1 A60326 [1,0,0,1,0,0|1,0,1]=4 521 B6R1.6 NCC1CCC1 C0310 [1,0,0,1,0,0|1,0,1]=4 522 B6R1.6 NCC1CCC1 C1144 [1,0,0,1,0,0|1,0,1]=4 523 B6R1.6 NCC1CNC1 A13410 [1,0,0,1,0,0|2,0,0]=4 524 B6R1.6 NCC1COC1 O5691 [1,0,0,1,0,0|2,0,0]=4 525 B6R1.6 NCC1CSC1 T6978 [1,0,0,1,0,0|2,0,0]=4 526 B6R1.6 NC[C@H]1CCO1 X6187 [1,0,0,1,0,0|0,0,1]=3 527 B6R1.6 OCC1CCC1 C67424 [1,0,0,1,0,0|1,0,1]=4 528 B6R1.6 OC[C@@H]1CCN1 A11256 [1,0,0,1,0,0|0,0,1]=3 529 B6R1.6 OC[C@H]1CCN1 A11255 [1,0,0,1,0,0|0,0,1]=3 530 B6R1.6 OC[C@H]1CCN1 A11257 [1,0,0,1,0,0|0,0,1]=3 531 B6R1.6 OC[C@H]1CCO1 X6188 [1,0,0,1,0,0|1,0,1]=4 532 B8R1.1 C=C[C@@H]1COC(=O)C1 V64256 [0,1,0,1,0,0|1,0,1]=4 533 B8R1.1 C=C[C@@H]1COC(=O)C1 V64417 [0,1,0,1,0,0|1,0,1]=4 534 B8R1.1 COC1CCC(N)C1 M27196 [0,1,0,1,0,0|1,0,1]=4 535 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [0,1,0,1,0,0|1,0,0]=3 536 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [0,1,0,1,0,0|1,0,0]=3 537 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [0,1,0,1,0,0|1,0,0]=3 538 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [0,1,0,1,0,0|1,0,0]=3 539 B8R1.1 NC[C@@H]1CNC(=O)O1 A27512 [0,1,0,1,0,0|0,0,0]=2 540 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [0,1,0,1,0,0|1,0,0]=3 541 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [0,1,0,1,0,0|1,0,0]=3 542 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [0,1,0,1,0,0|1,0,0]=3 543 B8R1.1 NC[C@H]1CNC(=O)O1 A10733 [0,1,0,1,0,0|0,0,0]=2 544 B8R1.1 NC[C@H]1CNC(=O)O1 A21197 [0,1,0,1,0,0|0,0,0]=2 545 B8R1.1 NC[C@H]1COC(=O)N1 A13336 [0,1,0,1,0,0|1,0,0]=3 546 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|2,0,0]=4 548 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|1,0,0]=3 551 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|1,0,0]=3 553 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,1,0,1,0,0|2,0,0]=4 555 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|2,0,0]=4 557 B8R1.1 O=C1NC[C@@H](CCl)O1 C40210 [0,1,0,1,0,0|1,0,0]=3 558 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [0,1,0,1,0,0|1,0,0]=3 559 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [0,1,0,1,0,0|1,0,0]=3 560 B8R1.1 O=C1N[C@@H](CI)CO1 K40211 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [0,1,0,1,0,0|2,0,0]=4 562 B8R1.4 CN1CCCC(=O)C1 M13651 [0,1,0,1,0,0|1,0,0]=3 563 B8R1.4 CN1CCC[C@@H](O)C1 H1521 [0,1,0,1,0,0|1,0,1]=4 564 B8R1.4 CN1CCC[C@H](O)C1 H0286 [0,1,0,1,0,0|1,0,1]=4 565 B8R1.4 CN1CCC[C@H](O)C1 H1522 [0,1,0,1,0,0|1,0,1]=4 566 B8R1.4 CN1CCNC(=O)C1 M6975 [0,1,0,1,0,0|2,0,0]=4 567 B8R1.4 CN1CCOC(=O)C1 M41260 [0,1,0,1,0,0|2,0,0]=4 568 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,1,0,1,0,0|2,0,0]=4 570 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,1,0,1,0,0|2,0,0]=4 571 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,1,0,1,0,0|2,0,0]=4 572 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,1,0,1,0,0|2,0,0]=4 573 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,1,0,1,0,0|2,0,0]=4 574 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,1,0,1,0,0|2,0,0]=4 575 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,1,0,1,0,0|2,0,0]=4 576 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,1,0,1,0,0|2,0,0]=4 577 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,1,0,1,0,0|2,0,0]=4 578 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,1,0,1,0,0|1,0,0]=3 581 B8R1.4 NC1CCCC(O)C1 A24893 [0,1,0,1,0,0|1,0,1]=4 582 B8R1.4 NC1CCCC(O)C1 A43477 [0,1,0,1,0,0|1,0,1]=4 583 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 A17953 [0,1,0,1,0,0|1,0,1]=4 584 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A24958 [0,1,0,1,0,0|1,0,1]=4 585 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A32382 [0,1,0,1,0,0|1,0,1]=4 586 B8R1.4 N[C@H]1CCC[C@@H](O)C1 A31661 [0,1,0,1,0,0|1,0,1]=4 587 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,1,0,1,0,0|1,0,0]=3 588 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,1,0,1,0,0|1,0,0]=3 589 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,1,0,1,0,0|2,0,0]=4 591 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,1,0,1,0,0|2,0,0]=4 592 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,1,0,1,0,0|2,0,0]=4 593 B8R1.18 CN1C[C@@H](N)CC1=O A14746 [0,1,0,1,0,0|2,0,0]=4 594 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,1,0,1,0,0|1,0,1]=4 595 B8R1.31 CC1NCC1C(=O)O M27890 [0,1,0,1,0,0|1,0,0]=3 596 B8R1.31 CN1CC[C@@H]1C(=O)O M22677 [0,1,0,1,0,0|0,0,0]=2 597 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [0,1,0,1,0,0|0,0,0]=2 598 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O A13712 [0,1,0,1,0,0|0,0,0]=2 599 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O A13711 [0,1,0,1,0,0|0,0,0]=2 600 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O A13334 [0,1,0,1,0,0|0,0,0]=2 601 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A13518 [0,1,0,1,0,0|0,0,0]=2 602 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A29882 [0,1,0,1,0,0|0,0,0]=2 603 B8R1.31 O=C(O)C1CCC1F F59749 [0,1,0,1,0,0|1,0,0]=3 604 B8R1.31 O=C(O)[C@@H]1CNC1=O X11510 [0,1,0,1,0,0|1,0,1]=4 605 B8R1.34 CC(=O)NC1CNC1 A1331 [0,1,0,1,0,0|2,0,0]=4 606 B8R1.34 CC(=O)OC1CNC1 A41259 [0,1,0,1,0,0|2,0,0]=4 607 B8R1.34 CC(=O)OC1CNC1 A43595 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.34 CC(=O)SC1CNC1 T12525 [0,1,0,1,0,0|2,0,0]=4 609 B8R1.34 O=C(O)C=C1CCC1 C10691 [0,1,0,1,0,0|1,0,1]=4 610 B8R1.34 O=C(O)CC1CCC1 C24745 [0,1,0,1,0,0|1,0,0]=3 611 B8R1.34 O=C(O)CC1CNC1 A10213 [0,1,0,1,0,0|0,0,0]=2 612 B8R1.34 O=C(O)CC1COC1 X6649 [0,1,0,1,0,0|1,0,0]=3 613 B8R1.40 COC(=O)CC1CC1 M11217 [0,1,0,1,0,0|1,0,0]=3 614 B8R1.43 N#CC1CC1C(=O)O C24298 [0,1,0,1,0,0|0,0,1]=3 615 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O C23494 [0,1,0,1,0,0|0,0,1]=3 616 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O C25179 [0,1,0,1,0,0|0,0,1]=3 617 B8R1.51 CC1(C)CCC(=O)N1 D38848 [0,1,0,1,0,0|2,0,0]=4 618 B8R1.51 CC1(C)CCC(=O)O1 D41465 [0,1,0,1,0,0|1,0,0]=3 619 B8R1.51 CC1(O)CCC(N)C1 H14948 [0,1,0,1,0,0|1,0,1]=4 620 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 A64489 [0,1,0,1,0,0|1,0,1]=4 621 B8R1.51 N[C@H]1CCS(=O)(=O)C1 A12453 [0,1,0,1,0,0|1,0,1]=4 622 B8R1.51 N[C@H]1CCS(=O)(=O)C1 A24037 [0,1,0,1,0,0|1,0,1]=4 623 B8R1.51 N[C@H]1CCS(=O)(=O)C1 A64487 [0,1,0,1,0,0|1,0,1]=4 624 B8R1.53 CC1(C)C[C@H](CN)O1 D8432 [0,1,0,1,0,0|1,0,1]=4 625 B8R1.53 CC1(O)CC(CN)C1 H14859 [0,1,0,1,0,0|1,0,1]=4 626 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 H27658 [0,1,0,1,0,0|1,0,1]=4 627 B8R1.53 C[C@]1(O)C[C@H](CN)C1 H11685 [0,1,0,1,0,0|1,0,1]=4 628 B8R1.53 C[C@]1(O)C[C@H](CN)C1 H31870 [0,1,0,1,0,0|1,0,1]=4 629 B8R1.62 CC1(CO)CC(=O)C1 H20258 [0,1,0,1,0,0|2,0,0]=4 630 B8R1.2 CO[C@@H]1CCCNC1 M10269 [0,1,0,1,0,0|1,0,1]=4 631 B8R1.2 CO[C@@H]1CCCNC1 M10270 [0,1,0,1,0,0|1,0,1]=4 632 B8R1.2 CO[C@H]1CCCNC1 M10271 [0,1,0,1,0,0|1,0,1]=4 633 B8R1.2 CO[C@H]1CCCNC1 M1167 [0,1,0,1,0,0|1,0,1]=4 634 B8R1.2 CO[C@H]1CCCNC1 M7502 [0,1,0,1,0,0|1,0,1]=4 635 B8R1.2 O=CC1=COCCC1 D43307 [0,1,0,1,0,0|2,0,0]=4 636 B8R1.2 OC[C@@H]1CCCNC1 P41579 [0,1,0,1,0,0|1,0,1]=4 637 B8R1.2 OC[C@@H]1CCCNC1 P60999 [0,1,0,1,0,0|1,0,1]=4 638 B8R1.2 OC[C@H]1CCCNC1 P0762 [0,1,0,1,0,0|1,0,1]=4 639 B8R1.2 OC[C@H]1CCCNC1 P41576 [0,1,0,1,0,0|1,0,1]=4 640 B8R1.3 CC1CCC(=O)CC1 M39288 [0,1,0,1,0,0|2,0,0]=4 641 B8R1.3 C[C@@H]1CC[C@H](O)CN1 M59818 [0,1,0,1,0,0|1,0,1]=4 642 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [0,1,0,1,0,0|2,0,0]=4 643 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,1,0,1,0,0|2,0,0]=4 644 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [0,1,0,1,0,0|2,0,0]=4 645 B8R1.3 NC1CCC(=O)CC1 A38581 [0,1,0,1,0,0|1,0,0]=3 646 B8R1.3 NC1CCC(O)CC1 A43478 [0,1,0,1,0,0|1,0,1]=4 647 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [0,1,0,1,0,0|1,0,0]=3 648 B8R1.3 N[C@H]1CC[C@@H](O)CC1 A23551 [0,1,0,1,0,0|1,0,1]=4 649 B8R1.3 N[C@H]1CC[C@@H](O)CC1 A29883 [0,1,0,1,0,0|1,0,1]=4 650 B8R1.3 N[C@H]1CC[C@H](O)CC1 A4686 [0,1,0,1,0,0|1,0,1]=4 651 B8R1.3 O=C1CCC(=O)NC1 P24057 [0,1,0,1,0,0|1,0,1]=4 652 B8R1.3 O=C1CCC(O)CC1 H18838 [0,1,0,1,0,0|2,0,0]=4 653 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,1,0,1,0,0|2,0,0]=4 654 B8R1.5 CC1CCNCC1O H11697 [0,1,0,1,0,0|1,0,1]=4 655 B8R1.5 CC1CCNCC1O H11698 [0,1,0,1,0,0|1,0,1]=4 656 B8R1.5 CN1CCNCC1=O M12652 [0,1,0,1,0,0|2,0,0]=4 657 B8R1.5 CN1CCNCC1=O M4395 [0,1,0,1,0,0|2,0,0]=4 658 B8R1.5 C[C@@H]1CCNC[C@@H]1O H14889 [0,1,0,1,0,0|1,0,1]=4 659 B8R1.5 C[C@@H]1CCNC[C@H]1O H11699 [0,1,0,1,0,0|1,0,1]=4 660 B8R1.5 C[C@@H]1CCNC[C@H]1O H14888 [0,1,0,1,0,0|1,0,1]=4 661 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,1,0,1,0,0|2,0,0]=4 662 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,1,0,1,0,0|1,0,1]=4 663 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,1,0,1,0,0|1,0,0]=3 664 B8R1.5 C[C@H]1CCNC[C@H]1O H11700 [0,1,0,1,0,0|1,0,1]=4 665 B8R1.5 NN1CCCCC1=O A41312 [0,1,0,1,0,0|2,0,0]=4 666 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,1,0,1,0,0|1,0,1]=4 667 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,1,0,1,0,0|2,0,0]=4 668 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,1,0,1,0,0|1,0,1]=4 669 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,1,0,1,0,0|1,0,1]=4 670 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,1,0,1,0,0|1,0,1]=4 671 B8R1.5 O=C1CCCC=C1Br B3408 [0,1,0,1,0,0|2,0,0]=4 672 B8R1.5 O=C1CCCCC1=O C67839 [0,1,0,1,0,0|1,0,1]=4 673 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,1,0,1,0,0|1,0,1]=4 674 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,1,0,1,0,0|0,0,1]=3 675 B8R1.5 O[C@@H]1CCNC[C@H]1O D31613 [0,1,0,1,0,0|1,0,1]=4 676 B8R1.5 O[C@@H]1CNCC[C@H]1F F26881 [0,1,0,1,0,0|1,0,1]=4 677 B8R1.5 O[C@H]1CNCC[C@@H]1F F10551 [0,1,0,1,0,0|1,0,1]=4 678 B8R1.5 O[C@H]1CNCC[C@H]1O P10148 [0,1,0,1,0,0|1,0,1]=4 679 B8R1.22 O=C1C=CCCCC1 C67890 [0,1,0,1,0,0|2,0,0]=4 680 B8R1.22 O=C1CCCNCC1 H12307 [0,1,0,1,0,0|1,0,0]=3 681 B8R1.22 O=C1CCOCCN1 X16165 [0,1,0,1,0,0|2,0,0]=4 682 B8R1.22 O=C1CCSCCN1 T6235 [0,1,0,1,0,0|2,0,0]=4 683 B8R1.22 O=C1CNCCCN1 D38834 [0,1,0,1,0,0|1,0,0]=3 684 B8R1.22 O[C@H]1CCCNCC1 H12234 [0,1,0,1,0,0|1,0,1]=4 685 B8R1.38 COC(=O)C1CNC1 M5857 [0,1,0,1,0,0|2,0,0]=4 686 B8R1.38 COC(=O)C1COC1 M15764 [0,1,0,1,0,0|2,0,0]=4 687 B8R1.38 COC(=O)[C@@H]1CCN1 M11233 [0,1,0,1,0,0|0,0,0]=2 688 B8R1.38 COC(=O)[C@@H]1CCN1 M11611 [0,1,0,1,0,0|0,0,0]=2 689 B8R1.38 COC(=O)[C@H]1CCN1 M11612 [0,1,0,1,0,0|0,0,0]=2 690 B8R1.38 NNC(=O)C1CCC1 C12362 [0,1,0,1,0,0|2,0,0]=4 691 B8R1.47 COC1CC(CN)C1 M0852 [0,1,0,1,0,0|1,0,1]=4 692 B8R1.47 CO[C@H]1C[C@H](CN)C1 M60412 [0,1,0,1,0,0|1,0,1]=4 693 B8R1.50 O=C1CCC(=O)N1O H68064 [0,1,0,1,0,0|1,0,1]=4 694 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [0,1,0,1,0,0|2,0,0]=4 695 B8R1.52 C[C@@]1(CO)CCCN1 M27669 [0,1,0,1,0,0|1,0,1]=4 696 B8R1.52 C[C@]1(CO)CCCN1 M27670 [0,1,0,1,0,0|1,0,1]=4 697 B8R1.7 CC(=O)C1CCCC1 C69351 [0,1,0,1,0,0|2,0,0]=4 698 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [0,1,0,1,0,0|1,0,0]=3 699 B8R1.7 CC(O)C1CCNC1 P61134 [0,1,0,1,0,0|1,0,1]=4 700 B8R1.7 N=C(N)[C@@H]1CCCN1 P69767 [0,1,0,1,0,0|2,0,0]=4 701 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [0,1,0,1,0,0|1,0,0]=3 702 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [0,1,0,1,0,0|1,0,0]=3 703 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [0,1,0,1,0,0|1,0,0]=3 704 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [0,1,0,1,0,0|1,0,0]=3 705 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [0,1,0,1,0,0|1,0,0]=3 706 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [0,1,0,1,0,0|1,0,0]=3 707 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [0,1,0,1,0,0|1,0,0]=3 708 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [0,1,0,1,0,0|1,0,0]=3 709 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [0,1,0,1,0,0|1,0,0]=3 710 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [0,1,0,1,0,0|2,0,0]=4 711 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [0,1,0,1,0,0|2,0,0]=4 712 B8R1.7 O=C(O)C1=CCCC1 C43305 [0,1,0,1,0,0|1,0,0]=3 713 B8R1.7 O=C(O)C1=COCC1 D8190 [0,1,0,1,0,0|1,0,1]=4 714 B8R1.7 O=C(O)C1CC=CC1 C11537 [0,1,0,1,0,0|1,0,1]=4 715 B8R1.7 O=C(O)C1CCCC1 C23144 [0,1,0,1,0,0|1,0,0]=3 716 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41170 [0,1,0,1,0,0|0,0,1]=3 717 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41356 [0,1,0,1,0,0|0,0,1]=3 718 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [0,1,0,1,0,0|0,0,0]=2 719 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,1,0,1,0,0|1,0,0]=3 720 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,1,0,1,0,0|1,0,0]=3 721 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [0,1,0,1,0,0|1,0,0]=3 722 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [0,1,0,1,0,0|0,0,0]=2 723 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [0,1,0,1,0,0|0,0,0]=2 724 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [0,1,0,1,0,0|1,0,0]=3 725 B8R1.7 O=C(O)[C@@H]1COCN1 X40338 [0,1,0,1,0,0|0,0,0]=2 726 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,1,0,1,0,0|1,0,0]=3 727 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [0,1,0,1,0,0|0,0,0]=2 728 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [0,1,0,1,0,0|0,0,0]=2 729 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [0,1,0,1,0,0|0,0,0]=2 730 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [0,1,0,1,0,0|0,0,0]=2 731 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [0,1,0,1,0,0|1,0,0]=3 732 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [0,1,0,1,0,0|1,0,0]=3 733 B8R1.7 O=C(O)[C@H]1CSCN1 T63317 [0,1,0,1,0,0|0,0,0]=2 734 B8R1.35 O=C(O)\C=C\C1CC1 C29885 [0,1,0,1,0,0|1,0,1]=4 735 B8R1.72 C[C@]1(O)CCCNC1 M1131 [0,1,0,1,0,0|1,0,1]=4 736 B8R1.72 C[C@]1(O)CCCNC1 M59908 [0,1,0,1,0,0|1,0,1]=4 737 B8R1.72 O=S1(=O)CCCCN1 T40268 [0,1,0,1,0,0|1,0,1]=4 738 B8R1.72 O=S1(=O)CCCCO1 B69155 [0,1,0,1,0,0|2,0,0]=4 739 B8R1.23 C=C1CC(C(=O)O)C1 M10240 [0,1,0,1,0,0|1,0,1]=4 740 B8R1.23 CC(=O)C1CC(O)C1 H22946 [0,1,0,1,0,0|2,0,0]=4 741 B8R1.23 CC(=O)N1CC(N)C1 A11253 [0,1,0,1,0,0|2,0,0]=4 742 B8R1.23 CC1CC(C(=O)O)C1 M14949 [0,1,0,1,0,0|1,0,0]=3 743 B8R1.23 CN1CC(C(=O)O)C1 M0190 [0,1,0,1,0,0|2,0,0]=4 744 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 M10526 [0,1,0,1,0,0|1,0,0]=3 745 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 M10527 [0,1,0,1,0,0|1,0,0]=3 746 B8R1.23 NC1CC(C(=O)O)C1 A12181 [0,1,0,1,0,0|0,0,0]=2 747 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 A0232 [0,1,0,1,0,0|0,0,0]=2 748 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SB7470 [0,1,0,1,0,0|0,0,0]=2 749 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 A0233 [0,1,0,1,0,0|0,0,0]=2 750 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SB7471 [0,1,0,1,0,0|0,0,0]=2 751 B8R1.23 O=C(O)C1CC(Cl)C1 C15268 [0,1,0,1,0,0|1,0,0]=3 752 B8R1.23 O=C(O)C1CC(F)C1 F0317 [0,1,0,1,0,0|1,0,0]=3 753 B8R1.23 O=C(O)C1CC(O)C1 H12369 [0,1,0,1,0,0|1,0,0]=3 754 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 F59936 [0,1,0,1,0,0|1,0,0]=3 755 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 H11727 [0,1,0,1,0,0|1,0,0]=3 756 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 C29816 [0,1,0,1,0,0|1,0,0]=3 757 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 F60295 [0,1,0,1,0,0|1,0,0]=3 758 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 H14950 [0,1,0,1,0,0|1,0,0]=3 759 B8R1.23 O=C1CC(C(=O)O)C1 X1338 [0,1,0,1,0,0|1,0,1]=4 760 B8R1.23 O=C1C[C@@H](C(=O)O)N1 X14543 [0,1,0,1,0,0|0,0,1]=3 761 B8R1.30 C=C1C[C@]1(N)C(=O)O A65491 [0,1,0,1,0,0|1,0,1]=4 762 B8R1.54 N[C@@H](C(=O)O)C1CC1 A11037 [0,1,0,1,0,0|1,0,0]=3 763 B8R1.54 N[C@H](C(=O)O)C1CC1 A67725 [0,1,0,1,0,0|1,0,0]=3 764 B8R1.54 O=C(O)C(=O)C1CC1 C41121 [0,1,0,1,0,0|1,0,1]=4 765 B8R1.78 CC1(C(=O)O)CCC1 M11732 [0,1,0,1,0,0|1,0,0]=3 766 B8R1.78 CC1(C(=O)O)CNC1 M29556 [0,1,0,1,0,0|2,0,0]=4 767 B8R1.78 CC1(C(=O)O)COC1 M6214 [0,1,0,1,0,0|2,0,0]=4 768 B8R1.78 NC1(C(=O)O)CCC1 A10609 [0,1,0,1,0,0|1,0,0]=3 769 B8R1.78 NC1(C(=O)O)CCC1 A26979 [0,1,0,1,0,0|1,0,0]=3 770 B8R1.78 NC1(C(=O)O)CNC1 A6058 [0,1,0,1,0,0|2,0,0]=4 771 B8R1.78 NC1(C(=O)O)COC1 A5828 [0,1,0,1,0,0|2,0,0]=4 772 B8R1.78 O=C(O)C1(F)CNC1 F11481 [0,1,0,1,0,0|2,0,0]=4 773 B8R1.78 O=C(O)C1(O)COC1 H60052 [0,1,0,1,0,0|2,0,0]=4 774 B8R1.77 CC1(C)C[C@@H]1C(=O)O D19962 [0,1,0,1,0,0|1,0,0]=3 775 B8R1.77 CC1(C)C[C@@H]1C(=O)O D25255 [0,1,0,1,0,0|1,0,0]=3 776 B8R1.77 CC1(C)C[C@@H]1C(N)=O D68613 [0,1,0,1,0,0|2,0,0]=4 777 B8R1.77 O=C(O)[C@@H]1CC1(F)F D31144 [0,1,0,1,0,0|1,0,0]=3 778 B8R1.77 O=C(O)[C@H]1CC1(F)F D13358 [0,1,0,1,0,0|1,0,0]=3 779 B8R1.55 CC(C)(O)[C@H]1CCN1 A60481 [0,1,0,1,0,0|1,0,1]=4 780 B8R2.18 O=C1CC2CC2C1 B43299 [0,0,0,2,0,0|2,0,0]=4 781 B8R2.23 C1NCC2CC1O2 X15474 [0,0,0,2,0,0|1,0,1]=4 782 B8R2.23 C1NCC2CC1O2 X19506 [0,0,0,2,0,0|1,0,1]=4 783 B8R2.53 O=C1CC2(CC2)C1 S60485 [0,0,0,2,0,0|2,0,0]=4