0 B6R0.6 BrCCNCCBr B28721 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.6 C#CCCCCI K43321 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 C#CCCCCO H41456 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.6 C=CCCCCBr B9212 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 C=CCCCCO H41549 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.6 C=CCCCC[Mg+] H5025 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.6 CC=CCCCO H41548 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.6 CCCCCC[Mg+] H31703 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.6 CCCCCNC M41618 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.6 CCC\C=C\CO H41550 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.6 CNCCCCBr B40429 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.6 CNCCCCO M38840 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.6 COCCCCBr B40422 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.6 ClCCCCCBr B39164 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.6 ClCCNCCCl B69332 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.6 FCCCCCBr B37978 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.6 ICCCCCI D24633 [0,0,0,0,0,0|3,0,0]=3 17 B6R0.6 N#CCCCCBr B41217 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.6 N#CCCCCCl C69554 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.6 N#CCCCCN A6983 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.6 NCCNCCO A68374 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.6 NCCOCCN X39968 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.6 NCCOCCN X40357 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.6 O=CCCCCCl C41277 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.6 O=CCCCCO H32202 [0,0,0,0,0,0|1,0,2]=3 25 B6R0.6 OCCOCCCl C60784 [0,0,0,0,0,0|2,0,0]=2 26 B6R0.6 OCCOCCO D43939 [0,0,0,0,0,0|1,0,0]=1 27 B5R0.2 BrCCCCBr D69410 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.2 C#CCCCCl C68183 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.2 C#CCCCI I8474 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.2 C#CCCCN P41368 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.2 C#CCCCO P68382 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.2 C=CCCCBr B41237 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.2 C=CCCCCl C41238 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.2 C=CCCCO P36921 [1,0,0,0,0,0|1,0,1]=3 35 B5R0.2 CCCCON B40310 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.2 CNCCCCl C39954 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.2 CNCCCO M36844 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.2 COCCCBr B68335 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.2 COCCCO M69411 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.2 ClCCCCI C40239 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.2 ICCCCI D37834 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.2 N#CCCCBr B67593 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.2 N#CCCCCl C64907 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 NCCCCBr B39952 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.2 NCCCCN D39162 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.2 OCCCCBr B67330 [1,0,0,0,0,0|1,0,0]=2 47 B5R0.2 OC\C=C\CO B64254 [1,0,0,0,0,0|0,0,2]=3 48 B7R0.1 BrCCCCCCBr D41534 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.1 C#CCCCCCO H67855 [0,1,0,0,0,0|2,0,0]=3 50 B7R0.1 C=CCCCCCBr B43831 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.1 CCCCCCCBr B43897 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.1 CCCCCCC[Mg+] H31707 [0,1,0,0,0,0|3,0,0]=4 53 B7R0.1 COCCOCCI K40420 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.1 COCCOCCN M38824 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.1 ClCCCCCCBr B39200 [0,1,0,0,0,0|3,0,0]=4 56 B7R0.1 ClCCCCCCI C38559 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.1 ICCCCCCI D41535 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.1 N#CCOCCCO H31839 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.1 NCCCCCCN H68834 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.1 NCCCCCCO A36606 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.1 NCCCNCCBr B40441 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.1 NCCCNCCO H38578 [0,1,0,0,0,0|1,0,0]=2 63 B7R0.1 OCCCCCCBr B41603 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.1 OCCCCCCCl C64682 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.1 OCCCCCCI I4468 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.1 [N-]=[N+]=NCCCCO A3815 [0,1,0,0,0,0|3,0,0]=4 67 B7R0.3 CCCC[C@@H](N)CO A43512 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [0,1,0,0,0,0|3,0,0]=4 69 B7R0.4 CC(C)CCCCBr B43898 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.4 CCCCCB(O)O P38628 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.4 CCCCC[C@H](C)O H43947 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.4 CCCOCC(=O)O P40387 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.4 CN(C)CCCCO D41621 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.4 C[C@H](O)CNCCO H40448 [0,1,0,0,0,0|0,0,0]=1 75 B7R0.4 O=C(O)CCCCBr B39187 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.4 O=C(O)CCCCCl C39191 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.4 O=C(O)CCCCO H37199 [0,1,0,0,0,0|1,0,1]=3 78 B7R0.4 O=C(O)CNCCO H40270 [0,1,0,0,0,0|0,0,1]=2 79 B7R0.4 O=C(O)COCCCl C40236 [0,1,0,0,0,0|2,0,1]=4 80 B7R0.4 O=C([O-])CCCCO S41306 [0,1,0,0,0,0|1,0,2]=4 81 B7R0.7 CCC[C@H](N)CCO A43513 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.7 CCOC(=O)CCO E36682 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.7 O=C(CCCl)CCCl D67616 [0,1,0,0,0,0|3,0,0]=4 84 B7R1.1 BrCC1CCCC1 B23399 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.1 BrC[C@H]1CCCO1 B17294 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.1 ClCC1=NCCN1 C69471 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.1 FC[C@@H]1CCCN1 F1127 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.1 FC[C@H]1CCCN1 F12954 [0,0,0,1,0,0|2,0,0]=3 89 B7R1.1 N#C[C@@H]1CCCN1 C10155 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.1 N#C[C@@H]1CCCN1 C10523 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.1 N#C[C@@H]1CCCN1 C12934 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.1 N#C[C@@H]1CCCN1 C12935 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.1 N#C[C@H]1CCCN1 C10524 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.1 N#C[C@H]1CCCN1 C12936 [0,0,0,1,0,0|2,0,1]=4 95 B7R1.1 NCC1CCCC1 C5395 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.1 NC[C@@H]1CCCN1 A7822 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.1 NC[C@@H]1CCCO1 T25038 [0,0,0,1,0,0|2,0,0]=3 98 B7R1.1 NC[C@H]1CCCN1 A60830 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.1 OCC1CCCC1 C23297 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.1 OCC1OCCO1 D40256 [0,0,0,1,0,0|1,0,0]=2 101 B7R1.1 OC[C@@H]1CCCN1 P1125 [0,0,0,1,0,0|1,0,0]=2 102 B7R1.1 OC[C@@H]1CCCN1 P1542 [0,0,0,1,0,0|1,0,0]=2 103 B7R1.1 OC[C@@H]1CCCO1 T40383 [0,0,0,1,0,0|1,0,0]=2 104 B7R1.1 OC[C@@H]1CCNC1 H11286 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.1 OC[C@@H]1CCNC1 P1348 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.1 OC[C@@H]1CCOC1 T0397 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.1 OC[C@H]1CCCN1 P14128 [0,0,0,1,0,0|1,0,0]=2 108 B7R1.1 OC[C@H]1CCCN1 P67898 [0,0,0,1,0,0|1,0,0]=2 109 B7R1.1 OC[C@H]1CCCO1 T67581 [0,0,0,1,0,0|1,0,0]=2 110 B7R1.1 OC[C@H]1CCCO1 T68627 [0,0,0,1,0,0|1,0,0]=2 111 B7R1.1 OC[C@H]1CCNC1 H1594 [0,0,0,1,0,0|3,0,0]=4 112 B7R1.1 OC[C@H]1CCNC1 H7915 [0,0,0,1,0,0|3,0,0]=4 113 B7R1.1 OC[C@H]1CCNC1 P1155 [0,0,0,1,0,0|3,0,0]=4 114 B7R1.1 OC[C@H]1CCNC1 P41328 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.1 OC[C@H]1CCNC1 P6954 [0,0,0,1,0,0|3,0,0]=4 116 B7R1.1 OC[C@H]1CCOC1 T0396 [0,0,0,1,0,0|3,0,0]=4 117 B7R1.1 OC[C@H]1CCOC1 T0398 [0,0,0,1,0,0|3,0,0]=4 118 B7R1.3 BrC1CCCCC1 B69054 [0,0,0,1,0,0|3,0,0]=4 119 B7R1.3 CC1=CCCNC1 M12102 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.3 C[C@@H]1CCCNC1 M43474 [0,0,0,1,0,0|2,0,0]=3 121 B7R1.3 C[C@@H]1CNCCN1 M10716 [0,0,0,1,0,0|2,0,0]=3 122 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,0,0,1,0,0|1,0,0]=2 123 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,0,0,1,0,0|1,0,0]=2 124 B7R1.3 C[C@@H]1COCCN1 M26868 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.3 C[C@@H]1COCCN1 M9009 [0,0,0,1,0,0|3,0,0]=4 126 B7R1.3 C[C@H]1CCCCN1 M43475 [0,0,0,1,0,0|3,0,0]=4 127 B7R1.3 C[C@H]1CNCCN1 M10717 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.3 C[C@H]1CNCCO1 M15401 [0,0,0,1,0,0|1,0,0]=2 129 B7R1.3 C[C@H]1CNCCO1 M15402 [0,0,0,1,0,0|1,0,0]=2 130 B7R1.3 C[C@H]1CNCCO1 M29509 [0,0,0,1,0,0|1,0,0]=2 131 B7R1.3 C[C@H]1CNCCO1 M41323 [0,0,0,1,0,0|1,0,0]=2 132 B7R1.3 C[C@H]1COCCN1 M23631 [0,0,0,1,0,0|3,0,0]=4 133 B7R1.3 C[C@H]1COCCN1 M41324 [0,0,0,1,0,0|3,0,0]=4 134 B7R1.3 C[C@H]1COCCN1 M8924 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.3 F[C@@H]1CCCNC1 F7495 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.3 F[C@H]1CCCNC1 F1651 [0,0,0,1,0,0|2,0,0]=3 137 B7R1.3 F[C@H]1CCCNC1 F7461 [0,0,0,1,0,0|2,0,0]=3 138 B7R1.3 NC1CCCCC1 C39283 [0,0,0,1,0,0|3,0,0]=4 139 B7R1.3 N[C@@H]1CCCNC1 A10836 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.3 N[C@@H]1CCCNC1 P32424 [0,0,0,1,0,0|2,0,0]=3 141 B7R1.3 N[C@@H]1CCCOC1 X18615 [0,0,0,1,0,0|3,0,0]=4 142 B7R1.3 N[C@H]1CCCNC1 P41385 [0,0,0,1,0,0|2,0,0]=3 143 B7R1.3 N[C@H]1CCCNC1 P67457 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.3 N[C@H]1CCCOC1 T1132 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.3 N[C@H]1CCCOC1 X17960 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.3 O=C1CCCNC1 P1523 [0,0,0,1,0,0|1,0,2]=4 147 B7R1.3 O=C1CCCNC1 P31811 [0,0,0,1,0,0|1,0,2]=4 148 B7R1.3 O=C1CNCCN1 P10419 [0,0,0,1,0,0|1,0,2]=4 149 B7R1.3 O=C1COCCO1 D38663 [0,0,0,1,0,0|1,0,2]=4 150 B7R1.3 OC1CCNCC1 P24137 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.3 OC1CCNCC1 P41321 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.3 OC1CCOCC1 H0389 [0,0,0,1,0,0|3,0,0]=4 153 B7R1.3 OC1CCSCC1 H31816 [0,0,0,1,0,0|3,0,0]=4 154 B7R1.3 OC1COCOC1 D38760 [0,0,0,1,0,0|3,0,0]=4 155 B7R1.3 O[C@@H]1CCCNC1 H12298 [0,0,0,1,0,0|1,0,0]=2 156 B7R1.3 O[C@@H]1CCCNC1 H1652 [0,0,0,1,0,0|1,0,0]=2 157 B7R1.3 O[C@@H]1CCCOC1 T15984 [0,0,0,1,0,0|2,0,0]=3 158 B7R1.3 O[C@@H]1CNCCO1 M40347 [0,0,0,1,0,0|0,0,0]=1 159 B7R1.3 O[C@H]1CCCNC1 H0276 [0,0,0,1,0,0|1,0,0]=2 160 B7R1.3 O[C@H]1CCCNC1 H10264 [0,0,0,1,0,0|1,0,0]=2 161 B7R1.3 O[C@H]1CCCNC1 H10265 [0,0,0,1,0,0|1,0,0]=2 162 B7R1.3 O[C@H]1CCCNC1 H4736 [0,0,0,1,0,0|1,0,0]=2 163 B7R1.3 O[C@H]1CCCOC1 H11398 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.3 O[C@H]1CCCOC1 T25087 [0,0,0,1,0,0|2,0,0]=3 165 B7R1.3 S[C@H]1CCCNC1 P15399 [0,0,0,1,0,0|1,1,0]=3 166 B7R1.3 [Mg+]C1CCCCC1 C31701 [0,0,0,1,0,0|3,0,0]=4 167 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [0,0,0,1,0,0|1,0,0]=2 168 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.4 F[C@@H]1CNC[C@H]1F D59711 [0,0,0,1,0,0|2,0,0]=3 170 B7R1.4 F[C@H]1CNC[C@@H]1F D25918 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.4 F[C@H]1CNC[C@H]1F D11635 [0,0,0,1,0,0|2,0,0]=3 172 B7R1.4 NC1CCCC1O A40401 [0,0,0,1,0,0|2,0,0]=3 173 B7R1.4 NC1COCC1O A32163 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [0,0,0,1,0,0|2,0,0]=3 175 B7R1.4 N[C@@H]1CCC[C@H]1F F59997 [0,0,0,1,0,0|3,0,0]=4 176 B7R1.4 N[C@@H]1CCC[C@H]1N C41387 [0,0,0,1,0,0|3,0,0]=4 177 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [0,0,0,1,0,0|2,0,0]=3 178 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [0,0,0,1,0,0|2,0,0]=3 179 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.4 N[C@@H]1CNC[C@H]1F F63102 [0,0,0,1,0,0|2,0,0]=3 181 B7R1.4 N[C@@H]1COC[C@@H]1N T10671 [0,0,0,1,0,0|3,0,0]=4 182 B7R1.4 N[C@@H]1COC[C@@H]1N X29480 [0,0,0,1,0,0|3,0,0]=4 183 B7R1.4 N[C@@H]1COC[C@H]1N T10670 [0,0,0,1,0,0|3,0,0]=4 184 B7R1.4 N[C@@H]1COC[C@H]1O A13516 [0,0,0,1,0,0|2,0,0]=3 185 B7R1.4 N[C@@H]1COC[C@H]1O A20318 [0,0,0,1,0,0|2,0,0]=3 186 B7R1.4 N[C@@H]1COC[C@H]1O A40351 [0,0,0,1,0,0|2,0,0]=3 187 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [0,0,0,1,0,0|2,0,0]=3 189 B7R1.4 N[C@H]1COC[C@@H]1N T10669 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.4 N[C@H]1COC[C@@H]1N T10672 [0,0,0,1,0,0|3,0,0]=4 191 B7R1.4 N[C@H]1COC[C@@H]1O A13517 [0,0,0,1,0,0|2,0,0]=3 192 B7R1.4 O[C@@H]1CCC[C@H]1O C67710 [0,0,0,1,0,0|1,0,0]=2 193 B7R1.4 O[C@@H]1CNC[C@@H]1F F59931 [0,0,0,1,0,0|1,0,0]=2 194 B7R1.4 O[C@@H]1CNC[C@H]1F F11643 [0,0,0,1,0,0|1,0,0]=2 195 B7R1.4 O[C@@H]1CNC[C@H]1F F20203 [0,0,0,1,0,0|1,0,0]=2 196 B7R1.4 O[C@@H]1CNC[C@H]1O P11870 [0,0,0,1,0,0|0,0,0]=1 197 B7R1.4 O[C@H]1CNC[C@@H]1O D11637 [0,0,0,1,0,0|0,0,0]=1 198 B7R1.4 O[C@H]1CNC[C@@H]1O P11869 [0,0,0,1,0,0|0,0,0]=1 199 B7R1.4 O[C@H]1CNC[C@@H]1O P31835 [0,0,0,1,0,0|0,0,0]=1 200 B7R1.4 O[C@H]1CNC[C@H]1O D11638 [0,0,0,1,0,0|0,0,0]=1 201 B7R1.4 O[C@H]1COC[C@H]1O A10821 [0,0,0,1,0,0|1,0,0]=2 202 B7R1.6 ClCCN1CCC1 C11577 [0,0,0,1,0,0|2,0,0]=3 203 B7R1.6 NCCC1CCC1 C15341 [0,0,0,1,0,0|3,0,0]=4 204 B7R1.6 NCCN1CCC1 A25439 [0,0,0,1,0,0|2,0,0]=3 205 B7R1.6 OCCC1COC1 X6653 [0,0,0,1,0,0|3,0,0]=4 206 B7R1.6 OCCN1CCC1 A25441 [0,0,0,1,0,0|1,0,0]=2 207 B7R1.6 OCC[C@H]1CCO1 X59677 [0,0,0,1,0,0|1,0,0]=2 208 B7R1.8 NCC1CCC1F F59751 [0,0,0,1,0,0|3,0,0]=4 209 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,0,0,1,0,0|1,0,2]=4 210 B7R1.8 OCC1CCC1F F60214 [0,0,0,1,0,0|2,0,0]=3 211 B7R1.24 C1=CCCNCC1 T67173 [0,0,0,1,0,0|2,0,0]=3 212 B7R1.24 C1CCCNCC1 H64495 [0,0,0,1,0,0|2,0,0]=3 213 B7R1.24 C1CNCCNC1 H67920 [0,0,0,1,0,0|2,0,0]=3 214 B7R1.24 C1CNCCOC1 X1345 [0,0,0,1,0,0|1,0,0]=2 215 B7R1.24 C1CNCCSC1 H6236 [0,0,0,1,0,0|1,1,0]=3 216 B4R0.2 BrCCCBr D69412 [2,0,0,0,0,0|2,0,0]=4 217 B4R0.2 C#CCCO B26554 [2,0,0,0,0,0|0,0,2]=4 218 B4R0.2 C#CCNC M60803 [2,0,0,0,0,0|1,0,1]=4 219 B4R0.2 C=CCCO B40252 [2,0,0,0,0,0|0,0,2]=4 220 B4R0.2 CC#CCO H64582 [2,0,0,0,0,0|0,0,2]=4 221 B4R0.2 CCCNN P39906 [2,0,0,0,0,0|2,0,0]=4 222 B4R0.2 CNCC#N M39141 [2,0,0,0,0,0|1,0,1]=4 223 B4R0.2 CNCCBr B38473 [2,0,0,0,0,0|1,0,0]=3 224 B4R0.2 CNCCCl C39886 [2,0,0,0,0,0|1,0,0]=3 225 B4R0.2 COCCBr B39138 [2,0,0,0,0,0|2,0,0]=4 226 B4R0.2 COCCI K39881 [2,0,0,0,0,0|2,0,0]=4 227 B4R0.2 CSCCN M62136 [2,0,0,0,0,0|2,0,0]=4 228 B4R0.2 ClCCCI C1367 [2,0,0,0,0,0|2,0,0]=4 229 B4R0.2 ICCCI D39865 [2,0,0,0,0,0|2,0,0]=4 230 B4R0.2 N#CCCO H67414 [2,0,0,0,0,0|1,0,1]=4 231 B4R0.2 NCCCCl C37835 [2,0,0,0,0,0|2,0,0]=4 232 B4R0.2 NCCCO A69322 [2,0,0,0,0,0|1,0,0]=3 233 B4R0.2 NOCCO A39786 [2,0,0,0,0,0|2,0,0]=4 234 B4R0.2 OCCCBr B39137 [2,0,0,0,0,0|1,0,0]=3 235 B4R0.2 OCCCO P69117 [2,0,0,0,0,0|0,0,0]=2 236 B6R0.1 C=CC[C@@H](N)CO A41325 [1,1,0,0,0,0|1,0,1]=4 237 B6R0.1 CCC[C@@H](Cl)CC C63946 [1,1,0,0,0,0|2,0,0]=4 238 B6R0.1 CCC[C@H](N)CO A40443 [1,1,0,0,0,0|1,0,0]=3 239 B6R0.1 CCC[C@H](N)CO A66421 [1,1,0,0,0,0|1,0,0]=3 240 B6R0.1 CCOC(=O)CO E37817 [1,1,0,0,0,0|1,0,1]=4 241 B6R0.1 CNC[C@H](O)CO M37886 [1,1,0,0,0,0|2,0,0]=4 242 B6R0.1 COC(=O)CCO M24551 [1,1,0,0,0,0|2,0,0]=4 243 B6R0.1 CO[C@@H](C)CCO M68623 [1,1,0,0,0,0|2,0,0]=4 244 B6R0.4 CC(=O)NCCN A68626 [1,1,0,0,0,0|1,0,1]=4 245 B6R0.4 CC(=O)NCCO H68625 [1,1,0,0,0,0|0,0,1]=3 246 B6R0.4 CC(C)CCCO M67872 [1,1,0,0,0,0|1,0,0]=3 247 B6R0.4 CC(C)NCCCl C40431 [1,1,0,0,0,0|1,0,0]=3 248 B6R0.4 CC(C)OCCBr B69154 [1,1,0,0,0,0|2,0,0]=4 249 B6R0.4 O=C(O)CCCBr B39154 [1,1,0,0,0,0|1,0,1]=4 250 B6R0.4 O=C(O)CCCCl C40232 [1,1,0,0,0,0|1,0,1]=4 251 B8R0.1 C#CCCC(=O)CCO H6251 [0,2,0,0,0,0|2,0,0]=4 252 B8R0.1 CCCC[C@H](N)CCO A62132 [0,2,0,0,0,0|2,0,0]=4 253 B8R0.4 C#CCCCCCCO O5669 [0,2,0,0,0,0|2,0,0]=4 254 B8R0.4 CCOCCOCCO E60752 [0,2,0,0,0,0|1,0,0]=3 255 B8R0.4 COCCCCCCBr B43941 [0,2,0,0,0,0|2,0,0]=4 256 B8R0.4 COCCNCCOC B64968 [0,2,0,0,0,0|0,0,0]=2 257 B8R0.4 OCCCCCCCBr B43940 [0,2,0,0,0,0|2,0,0]=4 258 B8R0.4 OCCCNCCCO A37173 [0,2,0,0,0,0|0,0,0]=2 259 B8R0.6 CCCCC[C@@H](O)CC X47206 [0,2,0,0,0,0|2,0,0]=4 260 B8R0.6 NCCCC[C@H](N)CO D43570 [0,2,0,0,0,0|2,0,0]=4 261 B8R0.7 CC(C)NCCCCO I38536 [0,2,0,0,0,0|2,0,0]=4 262 B8R0.7 CCCCCCB(O)O H41623 [0,2,0,0,0,0|2,0,0]=4 263 B8R0.7 CCCCCC[C@@H](C)O X47207 [0,2,0,0,0,0|2,0,0]=4 264 B8R0.7 CN(C)CCOCCO D68347 [0,2,0,0,0,0|2,0,0]=4 265 B8R0.7 COCCOCC(=O)O M37948 [0,2,0,0,0,0|1,0,1]=4 266 B8R0.7 NCCNCCC(=O)[O-] S41302 [0,2,0,0,0,0|1,0,1]=4 267 B8R0.7 NCCOCCC(=O)O A40415 [0,2,0,0,0,0|2,0,0]=4 268 B8R0.7 O=C(O)CCCCCBr B67880 [0,2,0,0,0,0|2,0,0]=4 269 B8R0.7 O=C(O)CCCCCCl C41527 [0,2,0,0,0,0|2,0,0]=4 270 B8R0.7 O=C(O)CCOCCBr B41274 [0,2,0,0,0,0|2,0,0]=4 271 B8R0.7 O=C([O-])CCCCCO P41406 [0,2,0,0,0,0|1,0,1]=4 272 B8R0.11 CCCC[C@H](CC)CO E60781 [0,2,0,0,0,0|2,0,0]=4 273 B8R0.21 O=S(=O)(O)CCCCO H39961 [0,2,0,0,0,0|2,0,0]=4 274 B8R0.22 CCCN(C=O)CCC D43905 [0,2,0,0,0,0|2,0,0]=4 275 B8R0.30 O=S(=O)(CCO)CCO S69177 [0,2,0,0,0,0|1,0,0]=3 276 B6R1.1 C1=CCNCC1 T0540 [1,0,0,1,0,0|1,0,1]=4 277 B6R1.1 C1=CCOCC1 D10810 [1,0,0,1,0,0|1,0,1]=4 278 B6R1.1 C1CCNCC1 P67647 [1,0,0,1,0,0|1,0,0]=3 279 B6R1.1 C1CCNNC1 H8288 [1,0,0,1,0,0|2,0,0]=4 280 B6R1.1 C1CCONC1 X13780 [1,0,0,1,0,0|1,0,0]=3 281 B6R1.1 C1CCONC1 X40342 [1,0,0,1,0,0|1,0,0]=3 282 B6R1.1 C1CNCOC1 X40263 [1,0,0,1,0,0|1,0,0]=3 283 B6R1.1 C1CSCCN1 T17901 [1,0,0,1,0,0|0,1,0]=3 284 B6R1.2 Br[C@H]1CCNC1 B40246 [1,0,0,1,0,0|1,0,0]=3 285 B6R1.2 Br[C@H]1CCOC1 B0393 [1,0,0,1,0,0|2,0,0]=4 286 B6R1.2 C[C@@H]1CCCN1 M23610 [1,0,0,1,0,0|1,0,0]=3 287 B6R1.2 C[C@@H]1CCNC1 M22540 [1,0,0,1,0,0|1,0,0]=3 288 B6R1.2 C[C@H]1CCCN1 M21836 [1,0,0,1,0,0|1,0,0]=3 289 B6R1.2 C[C@H]1CCCN1 M24199 [1,0,0,1,0,0|1,0,0]=3 290 B6R1.2 C[C@H]1CCCN1 M24435 [1,0,0,1,0,0|1,0,0]=3 291 B6R1.2 C[C@H]1CCNC1 M22012 [1,0,0,1,0,0|1,0,0]=3 292 B6R1.2 C[C@H]1CCNC1 M69520 [1,0,0,1,0,0|1,0,0]=3 293 B6R1.2 F[C@@H]1CCNC1 F7494 [1,0,0,1,0,0|1,0,0]=3 294 B6R1.2 F[C@H]1CCNC1 F0136 [1,0,0,1,0,0|1,0,0]=3 295 B6R1.2 F[C@H]1CCNC1 F7493 [1,0,0,1,0,0|1,0,0]=3 296 B6R1.2 IC1CCCC1 I20419 [1,0,0,1,0,0|2,0,0]=4 297 B6R1.2 I[C@@H]1CCOC1 I1538 [1,0,0,1,0,0|2,0,0]=4 298 B6R1.2 I[C@H]1CCOC1 I0392 [1,0,0,1,0,0|2,0,0]=4 299 B6R1.2 I[C@H]1CCOC1 I1672 [1,0,0,1,0,0|2,0,0]=4 300 B6R1.2 N[C@@H]1CCNC1 P16877 [1,0,0,1,0,0|1,0,0]=3 301 B6R1.2 N[C@@H]1CCNC1 P16878 [1,0,0,1,0,0|1,0,0]=3 302 B6R1.2 N[C@@H]1CCOC1 A7431 [1,0,0,1,0,0|2,0,0]=4 303 B6R1.2 N[C@@H]1CCOC1 X16388 [1,0,0,1,0,0|2,0,0]=4 304 B6R1.2 N[C@H]1CCNC1 P16879 [1,0,0,1,0,0|1,0,0]=3 305 B6R1.2 N[C@H]1CCNC1 P68854 [1,0,0,1,0,0|1,0,0]=3 306 B6R1.2 N[C@H]1CCOC1 A0023 [1,0,0,1,0,0|2,0,0]=4 307 B6R1.2 N[C@H]1CCOC1 A7432 [1,0,0,1,0,0|2,0,0]=4 308 B6R1.2 N[C@H]1CCOC1 T40344 [1,0,0,1,0,0|2,0,0]=4 309 B6R1.2 N[C@H]1CCOC1 X22238 [1,0,0,1,0,0|2,0,0]=4 310 B6R1.2 O=C1CCNC1 P0198 [1,0,0,1,0,0|0,0,2]=4 311 B6R1.2 OC1CC=CC1 C67522 [1,0,0,1,0,0|1,0,1]=4 312 B6R1.2 O[C@@H]1CCNC1 H7458 [1,0,0,1,0,0|0,0,0]=2 313 B6R1.2 O[C@@H]1CCNC1 P4643 [1,0,0,1,0,0|0,0,0]=2 314 B6R1.2 O[C@@H]1CCOC1 H7563 [1,0,0,1,0,0|1,0,0]=3 315 B6R1.2 O[C@H]1CCNC1 H0275 [1,0,0,1,0,0|0,0,0]=2 316 B6R1.2 O[C@H]1CCNC1 H7496 [1,0,0,1,0,0|0,0,0]=2 317 B6R1.2 O[C@H]1CCNC1 P0679 [1,0,0,1,0,0|0,0,0]=2 318 B6R1.2 O[C@H]1CCOC1 H0466 [1,0,0,1,0,0|1,0,0]=3 319 B6R1.2 O[C@H]1CCOC1 H10322 [1,0,0,1,0,0|1,0,0]=3 320 B6R1.2 O[C@H]1CNOC1 K39924 [1,0,0,1,0,0|1,0,0]=3 321 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [1,0,0,1,0,0|2,0,0]=4 322 B6R1.3 ICCC1CC1 I23113 [1,0,0,1,0,0|2,0,0]=4 323 B6R1.3 NCCC1CC1 C7864 [1,0,0,1,0,0|2,0,0]=4 324 B6R1.3 OCCC1CC1 C7861 [1,0,0,1,0,0|1,0,0]=3 325 B6R1.3 OCCN1CC1 A69643 [1,0,0,1,0,0|0,0,0]=2 326 B6R1.4 CC1NCC1F F21597 [1,0,0,1,0,0|1,0,0]=3 327 B6R1.4 C[C@@H]1NC[C@@H]1O M60046 [1,0,0,1,0,0|0,0,0]=2 328 B6R1.6 BrC[C@H]1CCO1 B0614 [1,0,0,1,0,0|1,0,0]=3 329 B6R1.6 CN[C@@H]1CCN1 A7337 [1,0,0,1,0,0|2,0,0]=4 330 B6R1.6 ICC1CCC1 I29708 [1,0,0,1,0,0|2,0,0]=4 331 B6R1.6 IC[C@H]1CCO1 I6940 [1,0,0,1,0,0|1,0,0]=3 332 B6R1.6 N#C[C@H]1CCN1 A60326 [1,0,0,1,0,0|1,0,1]=4 333 B6R1.6 NCC1CCC1 C0310 [1,0,0,1,0,0|2,0,0]=4 334 B6R1.6 NCC1CCC1 C1144 [1,0,0,1,0,0|2,0,0]=4 335 B6R1.6 NC[C@H]1CCO1 X6187 [1,0,0,1,0,0|1,0,0]=3 336 B6R1.6 OCC1CCC1 C67424 [1,0,0,1,0,0|1,0,0]=3 337 B6R1.6 OCC1CNC1 A5874 [1,0,0,1,0,0|2,0,0]=4 338 B6R1.6 OCC1CNC1 H12177 [1,0,0,1,0,0|2,0,0]=4 339 B6R1.6 OCC1COC1 X6263 [1,0,0,1,0,0|2,0,0]=4 340 B6R1.6 OCC1CSC1 T20107 [1,0,0,1,0,0|2,0,0]=4 341 B6R1.6 OC[C@@H]1CCN1 A11256 [1,0,0,1,0,0|0,0,0]=2 342 B6R1.6 OC[C@H]1CCN1 A11255 [1,0,0,1,0,0|0,0,0]=2 343 B6R1.6 OC[C@H]1CCN1 A11257 [1,0,0,1,0,0|0,0,0]=2 344 B6R1.6 OC[C@H]1CCO1 X6188 [1,0,0,1,0,0|0,0,0]=2 345 B6R1.6 [Mg+]CC1CCC1 C5036 [1,0,0,1,0,0|2,0,0]=4 346 B8R1.2 BrC[C@H]1CCCOC1 B8026 [0,1,0,1,0,0|2,0,0]=4 347 B8R1.2 C#C[C@H]1CCCNC1 E14072 [0,1,0,1,0,0|2,0,0]=4 348 B8R1.2 CCC1COCCN1 O5554 [0,1,0,1,0,0|1,0,0]=3 349 B8R1.2 CC[C@@H]1CNCCN1 E67103 [0,1,0,1,0,0|2,0,0]=4 350 B8R1.2 CC[C@H]1CCCCN1 E46502 [0,1,0,1,0,0|2,0,0]=4 351 B8R1.2 CC[C@H]1CNCCN1 E13389 [0,1,0,1,0,0|2,0,0]=4 352 B8R1.2 CC[C@H]1CNCCN1 E13401 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.2 CC[C@H]1CNCCN1 E65175 [0,1,0,1,0,0|2,0,0]=4 354 B8R1.2 CC[C@H]1COCCN1 E22377 [0,1,0,1,0,0|1,0,0]=3 355 B8R1.2 CN[C@H]1CCCNC1 M43509 [0,1,0,1,0,0|2,0,0]=4 356 B8R1.2 CN[C@H]1CCCNC1 M43560 [0,1,0,1,0,0|2,0,0]=4 357 B8R1.2 CO[C@@H]1CCCNC1 M10269 [0,1,0,1,0,0|1,0,0]=3 358 B8R1.2 CO[C@@H]1CCCNC1 M10270 [0,1,0,1,0,0|1,0,0]=3 359 B8R1.2 CO[C@H]1CCCNC1 M10271 [0,1,0,1,0,0|1,0,0]=3 360 B8R1.2 CO[C@H]1CCCNC1 M1167 [0,1,0,1,0,0|1,0,0]=3 361 B8R1.2 CO[C@H]1CCCNC1 M7502 [0,1,0,1,0,0|1,0,0]=3 362 B8R1.2 ClC[C@H]1CCCCN1 C41543 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.2 FC[C@H]1CCCCN1 F1342 [0,1,0,1,0,0|2,0,0]=4 364 B8R1.2 N#C[C@@H]1CCCNC1 C15044 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.2 N#C[C@@H]1CNCCN1 P41397 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.2 N#C[C@@H]1CNCCO1 M41361 [0,1,0,1,0,0|1,0,0]=3 367 B8R1.2 N#C[C@@H]1CNCCO1 M41363 [0,1,0,1,0,0|1,0,0]=3 368 B8R1.2 N#C[C@@H]1COCCN1 M41194 [0,1,0,1,0,0|1,0,1]=4 369 B8R1.2 N#C[C@H]1CCCNC1 C15045 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.2 N#C[C@H]1CCCNC1 C1622 [0,1,0,1,0,0|2,0,0]=4 371 B8R1.2 N#C[C@H]1CNCCN1 P64311 [0,1,0,1,0,0|2,0,0]=4 372 B8R1.2 NC[C@@H]1CCCOC1 T14517 [0,1,0,1,0,0|2,0,0]=4 373 B8R1.2 NC[C@@H]1COCCO1 D11964 [0,1,0,1,0,0|2,0,0]=4 374 B8R1.2 NC[C@H]1CCCCN1 P68366 [0,1,0,1,0,0|2,0,0]=4 375 B8R1.2 NC[C@H]1CCCNC1 P60926 [0,1,0,1,0,0|2,0,0]=4 376 B8R1.2 NC[C@H]1CCCOC1 A14515 [0,1,0,1,0,0|2,0,0]=4 377 B8R1.2 NC[C@H]1CCCOC1 T14516 [0,1,0,1,0,0|2,0,0]=4 378 B8R1.2 NC[C@H]1CNCCO1 M61772 [0,1,0,1,0,0|1,0,0]=3 379 B8R1.2 NC[C@H]1COCCO1 D11965 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.2 NC[C@H]1COCCO1 D15491 [0,1,0,1,0,0|2,0,0]=4 381 B8R1.2 NO[C@@H]1CCCCO1 T24832 [0,1,0,1,0,0|1,0,0]=3 382 B8R1.2 OCC1CCNCC1 P0766 [0,1,0,1,0,0|2,0,0]=4 383 B8R1.2 OCC1CCOCC1 H0390 [0,1,0,1,0,0|2,0,0]=4 384 B8R1.2 OCC1CCSCC1 T13093 [0,1,0,1,0,0|2,0,0]=4 385 B8R1.2 OC[C@@H]1CCCCN1 P7111 [0,1,0,1,0,0|1,0,0]=3 386 B8R1.2 OC[C@@H]1CCCCO1 X24024 [0,1,0,1,0,0|1,0,0]=3 387 B8R1.2 OC[C@@H]1CCCNC1 P41579 [0,1,0,1,0,0|1,0,0]=3 388 B8R1.2 OC[C@@H]1CCCNC1 P60999 [0,1,0,1,0,0|1,0,0]=3 389 B8R1.2 OC[C@@H]1CCCOC1 X59846 [0,1,0,1,0,0|1,0,0]=3 390 B8R1.2 OC[C@@H]1CNCCO1 M18586 [0,1,0,1,0,0|0,0,0]=2 391 B8R1.2 OC[C@@H]1COCCN1 H40409 [0,1,0,1,0,0|0,0,0]=2 392 B8R1.2 OC[C@@H]1COCCN1 M41331 [0,1,0,1,0,0|0,0,0]=2 393 B8R1.2 OC[C@@H]1COCCO1 D23560 [0,1,0,1,0,0|1,0,0]=3 394 B8R1.2 OC[C@H]1CCCCN1 H41578 [0,1,0,1,0,0|1,0,0]=3 395 B8R1.2 OC[C@H]1CCCCN1 P7110 [0,1,0,1,0,0|1,0,0]=3 396 B8R1.2 OC[C@H]1CCCNC1 P0762 [0,1,0,1,0,0|1,0,0]=3 397 B8R1.2 OC[C@H]1CCCNC1 P41576 [0,1,0,1,0,0|1,0,0]=3 398 B8R1.2 OC[C@H]1CCCOC1 H11515 [0,1,0,1,0,0|1,0,0]=3 399 B8R1.2 OC[C@H]1CCCOC1 X59849 [0,1,0,1,0,0|1,0,0]=3 400 B8R1.2 OC[C@H]1CNCCN1 P41389 [0,1,0,1,0,0|1,0,0]=3 401 B8R1.2 OC[C@H]1CNCCN1 P41390 [0,1,0,1,0,0|1,0,0]=3 402 B8R1.2 OC[C@H]1CNCCO1 M19813 [0,1,0,1,0,0|0,0,0]=2 403 B8R1.2 OC[C@H]1CNCCO1 M40407 [0,1,0,1,0,0|0,0,0]=2 404 B8R1.2 OC[C@H]1CNCCO1 M41329 [0,1,0,1,0,0|0,0,0]=2 405 B8R1.2 OC[C@H]1COCCN1 M41332 [0,1,0,1,0,0|0,0,0]=2 406 B8R1.2 OC[C@H]1COCCN1 M61069 [0,1,0,1,0,0|0,0,0]=2 407 B8R1.2 OC[C@H]1COCCN1 M61885 [0,1,0,1,0,0|0,0,0]=2 408 B8R1.2 OC[C@H]1COCCO1 D23561 [0,1,0,1,0,0|1,0,0]=3 409 B8R1.2 OC[C@H]1COCCO1 D40389 [0,1,0,1,0,0|1,0,0]=3 410 B8R1.2 ONC1CCCCC1 C43480 [0,1,0,1,0,0|2,0,0]=4 411 B8R1.5 CC1CCNCC1O H11697 [0,1,0,1,0,0|1,0,0]=3 412 B8R1.5 CC1CCNCC1O H11698 [0,1,0,1,0,0|1,0,0]=3 413 B8R1.5 CC1CNCCC1O M17031 [0,1,0,1,0,0|1,0,0]=3 414 B8R1.5 CC1CNCCC1O M41575 [0,1,0,1,0,0|1,0,0]=3 415 B8R1.5 C[C@@H]1CCNC[C@@H]1O H14889 [0,1,0,1,0,0|1,0,0]=3 416 B8R1.5 C[C@@H]1CCNC[C@H]1O H11699 [0,1,0,1,0,0|1,0,0]=3 417 B8R1.5 C[C@@H]1CCNC[C@H]1O H14888 [0,1,0,1,0,0|1,0,0]=3 418 B8R1.5 C[C@@H]1CNCCN1C D10718 [0,1,0,1,0,0|2,0,0]=4 419 B8R1.5 C[C@@H]1CNCC[C@H]1O M30026 [0,1,0,1,0,0|1,0,0]=3 420 B8R1.5 C[C@H]1CCNC[C@H]1O H11700 [0,1,0,1,0,0|1,0,0]=3 421 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,1,0,1,0,0|1,0,1]=4 422 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,1,0,1,0,0|1,0,1]=4 423 B8R1.5 C[C@H]1CNCCN1C D11166 [0,1,0,1,0,0|2,0,0]=4 424 B8R1.5 C[C@H]1CNCCN1C D23865 [0,1,0,1,0,0|2,0,0]=4 425 B8R1.5 C[C@H]1CNCCN1C D41606 [0,1,0,1,0,0|2,0,0]=4 426 B8R1.5 F[C@@H]1CCNC[C@H]1F D15106 [0,1,0,1,0,0|2,0,0]=4 427 B8R1.5 F[C@H]1CCNC[C@H]1F D15107 [0,1,0,1,0,0|2,0,0]=4 428 B8R1.5 NC1COCCC1O A7869 [0,1,0,1,0,0|2,0,0]=4 429 B8R1.5 N[C@@H]1CCCC[C@H]1O A41577 [0,1,0,1,0,0|2,0,0]=4 430 B8R1.5 N[C@@H]1CCCC[C@H]1O A43481 [0,1,0,1,0,0|2,0,0]=4 431 B8R1.5 N[C@@H]1CCOC[C@@H]1O A11506 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.5 N[C@@H]1CCOC[C@@H]1O A20209 [0,1,0,1,0,0|2,0,0]=4 433 B8R1.5 N[C@@H]1CCOC[C@H]1O A11507 [0,1,0,1,0,0|2,0,0]=4 434 B8R1.5 N[C@@H]1CCOC[C@H]1O A20694 [0,1,0,1,0,0|2,0,0]=4 435 B8R1.5 N[C@@H]1COCC[C@@H]1O A20910 [0,1,0,1,0,0|2,0,0]=4 436 B8R1.5 N[C@@H]1COCC[C@@H]1O A21545 [0,1,0,1,0,0|2,0,0]=4 437 B8R1.5 N[C@@H]1COCC[C@H]1O A12092 [0,1,0,1,0,0|2,0,0]=4 438 B8R1.5 N[C@H]1CCCC[C@@H]1O A43482 [0,1,0,1,0,0|2,0,0]=4 439 B8R1.5 N[C@H]1CCCC[C@@H]1O A64879 [0,1,0,1,0,0|2,0,0]=4 440 B8R1.5 N[C@H]1CCCC[C@H]1O A38152 [0,1,0,1,0,0|2,0,0]=4 441 B8R1.5 N[C@H]1CCCC[C@H]1O A43479 [0,1,0,1,0,0|2,0,0]=4 442 B8R1.5 N[C@H]1CCOC[C@@H]1O A16546 [0,1,0,1,0,0|2,0,0]=4 443 B8R1.5 N[C@H]1CCOC[C@H]1O A10117 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.5 N[C@H]1CCOC[C@H]1O A27832 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.5 N[C@H]1COCC[C@@H]1O A20755 [0,1,0,1,0,0|2,0,0]=4 446 B8R1.5 N[C@H]1COCC[C@H]1O A59650 [0,1,0,1,0,0|2,0,0]=4 447 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,1,0,1,0,0|1,0,1]=4 448 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,1,0,1,0,0|1,0,1]=4 449 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,1,0,1,0,0|1,0,1]=4 450 B8R1.5 OC1CCCCC1Cl C41533 [0,1,0,1,0,0|2,0,0]=4 451 B8R1.5 OC1CCNCC1F F32301 [0,1,0,1,0,0|1,0,0]=3 452 B8R1.5 OC1CCOCC1F F20039 [0,1,0,1,0,0|2,0,0]=4 453 B8R1.5 O[C@@H]1CCNC[C@@H]1F F12118 [0,1,0,1,0,0|1,0,0]=3 454 B8R1.5 O[C@@H]1CCNC[C@H]1O D31613 [0,1,0,1,0,0|0,0,0]=2 455 B8R1.5 O[C@@H]1CCOC[C@H]1F F59990 [0,1,0,1,0,0|2,0,0]=4 456 B8R1.5 O[C@@H]1CNCC[C@H]1F F26881 [0,1,0,1,0,0|1,0,0]=3 457 B8R1.5 O[C@H]1CCCC[C@H]1O C61980 [0,1,0,1,0,0|1,0,0]=3 458 B8R1.5 O[C@H]1CCNC[C@@H]1F F10552 [0,1,0,1,0,0|1,0,0]=3 459 B8R1.5 O[C@H]1CCNC[C@@H]1F F19740 [0,1,0,1,0,0|1,0,0]=3 460 B8R1.5 O[C@H]1CCNC[C@H]1F F10553 [0,1,0,1,0,0|1,0,0]=3 461 B8R1.5 O[C@H]1CCNC[C@H]1F F20213 [0,1,0,1,0,0|1,0,0]=3 462 B8R1.5 O[C@H]1CCOC[C@H]1F F59954 [0,1,0,1,0,0|2,0,0]=4 463 B8R1.5 O[C@H]1CCOC[C@H]1F F60449 [0,1,0,1,0,0|2,0,0]=4 464 B8R1.5 O[C@H]1CNCC[C@@H]1F F10551 [0,1,0,1,0,0|1,0,0]=3 465 B8R1.5 O[C@H]1CNCC[C@H]1O P10148 [0,1,0,1,0,0|0,0,0]=2 466 B8R1.8 BrCCC1OCCO1 B41267 [0,1,0,1,0,0|2,0,0]=4 467 B8R1.8 COC[C@@H]1CCCN1 M14243 [0,1,0,1,0,0|1,0,0]=3 468 B8R1.8 COC[C@H]1CCCN1 M14242 [0,1,0,1,0,0|1,0,0]=3 469 B8R1.8 ClCCN1CCCC1 C41544 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.8 NCCN1CCCC1 P41605 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.8 NCC[C@H]1CCCO1 T1128 [0,1,0,1,0,0|2,0,0]=4 472 B8R1.8 OCC[C@H]1CCCN1 P11010 [0,1,0,1,0,0|1,0,0]=3 473 B8R1.8 OCC[C@H]1CCNC1 P29904 [0,1,0,1,0,0|2,0,0]=4 474 B8R1.11 CN1CCC[C@@H]1CN M8172 [0,1,0,1,0,0|2,0,0]=4 475 B8R1.11 CN1CCC[C@@H]1CO M14129 [0,1,0,1,0,0|1,0,0]=3 476 B8R1.11 CN1CCC[C@@H]1CO M41582 [0,1,0,1,0,0|1,0,0]=3 477 B8R1.11 CN1CCC[C@H]1CBr B41540 [0,1,0,1,0,0|2,0,0]=4 478 B8R1.11 CN1CCC[C@H]1CN M0297 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.11 CN1CCC[C@H]1CN M43564 [0,1,0,1,0,0|2,0,0]=4 480 B8R1.11 CN1CCC[C@H]1CO M12480 [0,1,0,1,0,0|1,0,0]=3 481 B8R1.11 CO[C@@H]1CNC[C@@H]1O M23798 [0,1,0,1,0,0|0,0,0]=2 482 B8R1.11 CO[C@@H]1CNC[C@H]1F F11644 [0,1,0,1,0,0|1,0,0]=3 483 B8R1.11 CO[C@@H]1CNC[C@H]1O M11642 [0,1,0,1,0,0|0,0,0]=2 484 B8R1.11 CO[C@H]1CCC[C@H]1N M60050 [0,1,0,1,0,0|2,0,0]=4 485 B8R1.11 CO[C@H]1CNC[C@H]1O M59760 [0,1,0,1,0,0|0,0,0]=2 486 B8R1.11 C[C@@H]1CNC[C@H]1CO M41583 [0,1,0,1,0,0|1,0,0]=3 487 B8R1.11 C[C@H]1CNC[C@@H]1CO M60070 [0,1,0,1,0,0|1,0,0]=3 488 B8R1.11 NC[C@@H]1COC[C@H]1O A20782 [0,1,0,1,0,0|2,0,0]=4 489 B8R1.11 NC[C@H]1COC[C@H]1O A20734 [0,1,0,1,0,0|2,0,0]=4 490 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,1,0,1,0,0|1,0,1]=4 491 B8R1.13 COC[C@@H]1CC[C@H]1N M60130 [0,1,0,1,0,0|2,0,0]=4 492 B8R1.13 COC[C@H]1CC[C@@H]1N M59762 [0,1,0,1,0,0|2,0,0]=4 493 B8R1.22 CN1CCCNCC1 M1344 [0,1,0,1,0,0|2,0,0]=4 494 B8R1.22 C[C@H]1CCNCCN1 M13937 [0,1,0,1,0,0|2,0,0]=4 495 B8R1.22 F[C@H]1CCCNCC1 F12235 [0,1,0,1,0,0|2,0,0]=4 496 B8R1.22 N[C@@H]1CCCCNC1 A14699 [0,1,0,1,0,0|2,0,0]=4 497 B8R1.22 N[C@H]1CCCCNC1 A41604 [0,1,0,1,0,0|2,0,0]=4 498 B8R1.22 O=C1CCCNCC1 H12307 [0,1,0,1,0,0|1,0,1]=4 499 B8R1.22 O=C1CCOCCN1 X16165 [0,1,0,1,0,0|1,0,1]=4 500 B8R1.22 O[C@H]1CCCNCC1 H12234 [0,1,0,1,0,0|1,0,0]=3 501 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,1,0,1,0,0|1,0,1]=4 502 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,1,0,1,0,0|1,0,1]=4 503 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,1,0,1,0,0|1,0,1]=4 504 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,1,0,1,0,0|1,0,1]=4 505 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,1,0,1,0,0|1,0,1]=4 506 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 H23845 [0,1,0,1,0,0|0,0,0]=2 507 B8R1.1 OC[C@@H]1C[C@H](O)CO1 H40394 [0,1,0,1,0,0|1,0,0]=3 508 B8R1.1 OC[C@H]1C[C@@H](O)CN1 H41336 [0,1,0,1,0,0|0,0,0]=2 509 B8R1.3 CC1CCC(O)CC1 M61965 [0,1,0,1,0,0|2,0,0]=4 510 B8R1.3 C[C@@H]1CC[C@H](O)CN1 M59818 [0,1,0,1,0,0|1,0,0]=3 511 B8R1.3 C[C@@H]1CO[C@H](C)CN1 D43484 [0,1,0,1,0,0|1,0,0]=3 512 B8R1.3 C[C@H]1CN[C@@H](C)CN1 D11163 [0,1,0,1,0,0|2,0,0]=4 513 B8R1.3 C[C@H]1CN[C@H](C)CN1 D41608 [0,1,0,1,0,0|2,0,0]=4 514 B8R1.3 C[C@H]1CN[C@H](C)CO1 D41580 [0,1,0,1,0,0|1,0,0]=3 515 B8R1.3 C[C@H]1CO[C@@H](C)CN1 D43485 [0,1,0,1,0,0|1,0,0]=3 516 B8R1.3 NC1CCC(O)CC1 A43478 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.3 N[C@H]1CC[C@@H](O)CC1 A23551 [0,1,0,1,0,0|2,0,0]=4 518 B8R1.3 N[C@H]1CC[C@@H](O)CC1 A29883 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.3 N[C@H]1CC[C@H](O)CC1 A4686 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,1,0,1,0,0|1,0,1]=4 521 B8R1.3 OC1COC(O)CO1 D2034 [0,1,0,1,0,0|1,0,0]=3 522 B8R1.3 OC1CSC(O)CS1 D69077 [0,1,0,1,0,0|1,1,0]=4 523 B8R1.3 O[C@H]1CC[C@@H](O)CC1 C11596 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.3 O[C@H]1CC[C@H](O)CC1 C24967 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.38 CC(CO)C1CCO1 X60289 [0,1,0,1,0,0|1,0,0]=3 526 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [0,1,0,1,0,0|1,0,1]=4 527 B8R1.52 CC1(CBr)OCCO1 B5418 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.52 CC1(CN)OCCO1 M40413 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.52 CC1(CO)OCCO1 M37741 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.52 C[C@@]1(CO)CCCN1 M27669 [0,1,0,1,0,0|1,0,0]=3 531 B8R1.52 C[C@]1(CN)CCCO1 M31869 [0,1,0,1,0,0|2,0,0]=4 532 B8R1.52 C[C@]1(CO)CCCN1 M27670 [0,1,0,1,0,0|1,0,0]=3 533 B8R1.4 CC1CC(N)CCO1 M26284 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.4 CC1CC(O)CCO1 M14345 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.4 CC1CNCC(C)C1 D39299 [0,1,0,1,0,0|2,0,0]=4 536 B8R1.4 CC1CNCC(C)N1 D4711 [0,1,0,1,0,0|2,0,0]=4 537 B8R1.4 CN1CCC[C@@H](N)C1 A1653 [0,1,0,1,0,0|2,0,0]=4 538 B8R1.4 CN1CCC[C@@H](N)C1 M16827 [0,1,0,1,0,0|2,0,0]=4 539 B8R1.4 CN1CCC[C@@H](O)C1 H1521 [0,1,0,1,0,0|1,0,0]=3 540 B8R1.4 CN1CCC[C@H](N)C1 A0282 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.4 CN1CCC[C@H](N)C1 A1654 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.4 CN1CCC[C@H](N)C1 A7504 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.4 CN1CCC[C@H](O)C1 H0286 [0,1,0,1,0,0|1,0,0]=3 544 B8R1.4 CN1CCC[C@H](O)C1 H1522 [0,1,0,1,0,0|1,0,0]=3 545 B8R1.4 CN1CCOC(=O)C1 M41260 [0,1,0,1,0,0|0,0,2]=4 546 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.4 C[C@@H]1CN(C)CCN1 D27738 [0,1,0,1,0,0|2,0,0]=4 548 B8R1.4 C[C@@H]1CN(C)CCN1 D62333 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D13904 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D20228 [0,1,0,1,0,0|2,0,0]=4 551 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D43561 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.4 C[C@H]1CN(C)CCN1 D41607 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.4 C[C@H]1CNC[C@@H](C)N1 D10658 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D14096 [0,1,0,1,0,0|1,0,0]=3 557 B8R1.4 C[C@H]1CNC[C@H](C)N1 D11159 [0,1,0,1,0,0|2,0,0]=4 558 B8R1.4 C[C@H]1CNC[C@H](C)N1 D20216 [0,1,0,1,0,0|2,0,0]=4 559 B8R1.4 C[C@H]1CNC[C@H](C)O1 D22785 [0,1,0,1,0,0|1,0,0]=3 560 B8R1.4 C[C@H]1CNC[C@H](C)O1 D7921 [0,1,0,1,0,0|1,0,0]=3 561 B8R1.4 NC1CCCC(O)C1 A24893 [0,1,0,1,0,0|2,0,0]=4 562 B8R1.4 NC1CCCC(O)C1 A43477 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 A17953 [0,1,0,1,0,0|2,0,0]=4 564 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A24958 [0,1,0,1,0,0|2,0,0]=4 565 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A32382 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.4 N[C@H]1CCC[C@@H](O)C1 A31661 [0,1,0,1,0,0|2,0,0]=4 567 B8R1.6 NC1CN(CCO)C1 A19490 [0,1,0,1,0,0|1,0,0]=3 568 B8R1.7 CC(C)[C@@H]1CCCN1 P29867 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.7 CC(C)[C@H]1CCCN1 P29967 [0,1,0,1,0,0|2,0,0]=4 570 B8R1.7 FC(F)[C@@H]1CCCN1 D19357 [0,1,0,1,0,0|2,0,0]=4 571 B8R1.7 FC(F)[C@@H]1CCCN1 D19603 [0,1,0,1,0,0|2,0,0]=4 572 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [0,1,0,1,0,0|1,0,1]=4 573 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,1,0,1,0,0|1,0,1]=4 574 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,1,0,1,0,0|1,0,1]=4 575 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,1,0,1,0,0|1,0,1]=4 576 B8R1.19 C[C@H]1CNCC1(F)F D29727 [0,1,0,1,0,0|2,0,0]=4 577 B8R1.19 O[C@@H]1CNCC1(F)F D59712 [0,1,0,1,0,0|1,0,0]=3 578 B8R1.19 O[C@H]1CNCC1(F)F D21280 [0,1,0,1,0,0|1,0,0]=3 579 B8R1.27 OCC[C@H]1CC1(F)F D16951 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [0,1,0,1,0,0|1,0,1]=4 581 B8R1.48 OC[C@H]1CCC1(F)F D10662 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.72 CC1(C)CNCCN1 D13386 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.72 CC1(C)CNCCO1 D11989 [0,1,0,1,0,0|1,0,0]=3 584 B8R1.72 CC1(C)CNCCO1 D1343 [0,1,0,1,0,0|1,0,0]=3 585 B8R1.72 CC1(O)CCCCC1 M43886 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.72 C[C@]1(O)CCCNC1 M1131 [0,1,0,1,0,0|1,0,0]=3 587 B8R1.72 C[C@]1(O)CCCNC1 M59908 [0,1,0,1,0,0|1,0,0]=3 588 B8R1.72 FC1(F)CCCNC1 D36815 [0,1,0,1,0,0|2,0,0]=4 589 B8R1.72 FC1(F)CCCNC1 D7460 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.66 NC1(CCO)CCC1 A61672 [0,1,0,1,0,0|2,0,0]=4 591 B8R2.22 C1CC2CNCC12 A11809 [0,0,0,2,0,0|2,0,0]=4 592 B8R2.22 C1CC2CNCC12 A15175 [0,0,0,2,0,0|2,0,0]=4 593 B8R2.34 C1CC2CCC1N2 A0698 [0,0,0,2,0,0|2,0,0]=4 594 B8R2.34 C1CC2CCC1N2 A8159 [0,0,0,2,0,0|2,0,0]=4 595 B8R2.34 C1OC2CNC1C2 X26396 [0,0,0,2,0,0|1,0,0]=3 596 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X11751 [0,0,0,2,0,0|1,0,0]=3 597 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X14975 [0,0,0,2,0,0|1,0,0]=3 598 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X20221 [0,0,0,2,0,0|1,0,0]=3 599 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X11749 [0,0,0,2,0,0|1,0,0]=3 600 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X11750 [0,0,0,2,0,0|1,0,0]=3 601 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X20220 [0,0,0,2,0,0|1,0,0]=3 602 B8R2.55 C1CNC2(C1)CC2 A8604 [0,0,0,2,0,0|2,0,0]=4 603 B8R2.23 C1NCC2CC1C2 A31840 [0,0,0,2,0,0|2,0,0]=4 604 B8R2.23 C1NCC2CC1O2 X15474 [0,0,0,2,0,0|1,0,0]=3 605 B8R2.23 C1NCC2CC1O2 X19506 [0,0,0,2,0,0|1,0,0]=3 606 B8R2.25 C1CC2OC2CO1 D13598 [0,0,0,2,0,0|2,0,0]=4 607 B8R2.25 C1CNC2CC2N1 D60443 [0,0,0,2,0,0|2,0,0]=4 608 B8R2.25 C1COC2CC2N1 X41370 [0,0,0,2,0,0|1,0,0]=3 609 B8R2.24 C1CC1NC2CC2 D43434 [0,0,0,2,0,0|2,0,0]=4