0 B6R0.6 BrCCNCCBr B28721 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.6 C#CCCCCI K43321 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.6 C#CCCCCO H41456 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.6 C=CCCCCBr B9212 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.6 C=CCCCCO H41549 [0,0,0,0,0,0|0,0,2]=2 5 B6R0.6 C=CCCCC[Mg+] H5025 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.6 CC=CCCCO H41548 [0,0,0,0,0,0|0,0,2]=2 7 B6R0.6 CCCCCC[Mg+] H31703 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.6 CCCCCNC M41618 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.6 CCCCN=[N+]=[N-] A1814 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.6 CCC\C=C\CO H41550 [0,0,0,0,0,0|0,0,2]=2 11 B6R0.6 CCOCCC#N E41255 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.6 CNCCCCBr B40429 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.6 CNCCCCO M38840 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.6 COCCCCBr B40422 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.6 C\C=C\C=C\CO H69109 [0,0,0,0,0,0|0,0,4]=4 16 B6R0.6 ClCCCCCBr B39164 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.6 ClCCNCCCl B69332 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.6 FCCCCCBr B37978 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.6 ICCCCCI D24633 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.6 N#CCCCCBr B41217 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.6 N#CCCCCCl C69554 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.6 N#CCCCCN A6983 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.6 NCCNCCO A68374 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.6 NCCOCCN X39968 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.6 NCCOCCN X40357 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.6 O=CCCCCCl C41277 [0,0,0,0,0,0|1,0,2]=3 27 B6R0.6 O=CCCCCO H32202 [0,0,0,0,0,0|1,0,1]=2 28 B6R0.6 OCCOCCCl C60784 [0,0,0,0,0,0|2,0,0]=2 29 B6R0.6 OCCOCCO D43939 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.6 [N-]=[N+]=NCCCN A2033 [0,0,0,0,0,0|4,0,0]=4 31 B5R0.2 BrCCCCBr D69410 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.2 C#CCCCCl C68183 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.2 C#CCCCI I8474 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.2 C#CCCCN P41368 [1,0,0,0,0,0|1,0,2]=4 35 B5R0.2 C#CCCCO P68382 [1,0,0,0,0,0|0,0,2]=3 36 B5R0.2 C=CCCCBr B41237 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.2 C=CCCCCl C41238 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.2 C=CCCCO P36921 [1,0,0,0,0,0|0,0,2]=3 39 B5R0.2 CCCCON B40310 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.2 CNCCCCl C39954 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.2 CNCCCO M36844 [1,0,0,0,0,0|1,0,0]=2 42 B5R0.2 CNCCOC M23409 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.2 COCCC#N M39153 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 COCCCBr B68335 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.2 COCCCO M69411 [1,0,0,0,0,0|1,0,0]=2 46 B5R0.2 ClCCCCI C40239 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.2 ICCCCI D37834 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.2 N#CCCCBr B67593 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 N#CCCCCl C64907 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.2 NCCCCBr B39952 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.2 NCCCCN D39162 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.2 OCCCCBr B67330 [1,0,0,0,0,0|1,0,0]=2 53 B5R0.2 OC\C=C\CO B64254 [1,0,0,0,0,0|1,0,2]=4 54 B7R0.1 BrCCCCCCBr D41534 [0,1,0,0,0,0|1,0,0]=2 55 B7R0.1 C#CCCCCCO H67855 [0,1,0,0,0,0|0,0,1]=2 56 B7R0.1 C=CCCCCCBr B43831 [0,1,0,0,0,0|1,0,1]=3 57 B7R0.1 C=CCCCCNC M43901 [0,1,0,0,0,0|1,0,1]=3 58 B7R0.1 C=CCCCCNC M46504 [0,1,0,0,0,0|1,0,1]=3 59 B7R0.1 CCCCCCCBr B43897 [0,1,0,0,0,0|1,0,0]=2 60 B7R0.1 CCCCCCC[Mg+] H31707 [0,1,0,0,0,0|1,0,0]=2 61 B7R0.1 CCCCCN=[N+]=[N-] A1948 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.1 CNCCCCNC D41624 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.1 COCCOCCI K40420 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.1 COCCOCCN M38824 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.1 ClCCCCCCBr B39200 [0,1,0,0,0,0|1,0,0]=2 66 B7R0.1 ClCCCCCCI C38559 [0,1,0,0,0,0|1,0,0]=2 67 B7R0.1 ICCCCCCI D41535 [0,1,0,0,0,0|1,0,0]=2 68 B7R0.1 N#CCOCCCO H31839 [0,1,0,0,0,0|1,0,1]=3 69 B7R0.1 NCCCCCCN H68834 [0,1,0,0,0,0|1,0,0]=2 70 B7R0.1 NCCCCCCO A36606 [0,1,0,0,0,0|0,0,0]=1 71 B7R0.1 NCCCNCCBr B40441 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.1 NCCCNCCO H38578 [0,1,0,0,0,0|1,0,0]=2 73 B7R0.1 O=CCCCCC=O A3137 [0,1,0,0,0,0|0,0,3]=4 74 B7R0.1 OCCCCCCBr B41603 [0,1,0,0,0,0|0,0,0]=1 75 B7R0.1 OCCCCCCCl C64682 [0,1,0,0,0,0|0,0,0]=1 76 B7R0.1 OCCCCCCI I4468 [0,1,0,0,0,0|0,0,0]=1 77 B7R0.1 [N-]=[N+]=NCCCCN A1951 [0,1,0,0,0,0|3,0,0]=4 78 B7R0.1 [N-]=[N+]=NCCCCO A3815 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.3 CCCCC(=O)NN P40425 [0,1,0,0,0,0|2,0,1]=4 80 B7R0.3 CCCC[C@@H](N)CO A43512 [0,1,0,0,0,0|0,0,0]=1 81 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [0,1,0,0,0,0|1,0,0]=2 82 B7R0.3 COC(=N)CCCCl M40379 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.3 COC(=O)CCCBr M39189 [0,1,0,0,0,0|2,0,1]=4 84 B7R0.3 COC(=O)CCCCl M60517 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.3 COC(=O)CCCN M32376 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.4 C#CCCCC(=O)O H43301 [0,1,0,0,0,0|0,0,3]=4 87 B7R0.4 CC(=O)CCCCBr B41532 [0,1,0,0,0,0|1,0,1]=3 88 B7R0.4 CC(=O)OCCCBr B41266 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.4 CC(=O)OCCCCl C39190 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.4 CC(C)CCCCBr B43898 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.4 CC(C)CCN=[N+]=[N-] A3458 [0,1,0,0,0,0|3,0,0]=4 92 B7R0.4 CCCCCB(O)O P38628 [0,1,0,0,0,0|1,0,0]=2 93 B7R0.4 CCCCC[C@H](C)O H43947 [0,1,0,0,0,0|0,0,0]=1 94 B7R0.4 CCCCOC(N)=O B39165 [0,1,0,0,0,0|1,0,2]=4 95 B7R0.4 CCCOCC(=O)O P40387 [0,1,0,0,0,0|1,0,1]=3 96 B7R0.4 CCC\C=C\C(=O)O H41460 [0,1,0,0,0,0|0,0,3]=4 97 B7R0.4 CN(C)CCCCO D41621 [0,1,0,0,0,0|1,0,0]=2 98 B7R0.4 CNCCCC(=O)O M63276 [0,1,0,0,0,0|1,0,1]=3 99 B7R0.4 COCCCC(=O)O M67387 [0,1,0,0,0,0|1,0,1]=3 100 B7R0.4 C[C@H](O)CNCCO H40448 [0,1,0,0,0,0|1,0,0]=2 101 B7R0.4 N#CCCCC(=O)O C41166 [0,1,0,0,0,0|1,0,2]=4 102 B7R0.4 O=C(O)CCCCBr B39187 [0,1,0,0,0,0|1,0,1]=3 103 B7R0.4 O=C(O)CCCCCl C39191 [0,1,0,0,0,0|1,0,1]=3 104 B7R0.4 O=C(O)CCCCO H37199 [0,1,0,0,0,0|1,0,1]=3 105 B7R0.4 O=C(O)CNCCO H40270 [0,1,0,0,0,0|2,0,1]=4 106 B7R0.4 O=C(O)COCCCl C40236 [0,1,0,0,0,0|2,0,1]=4 107 B7R0.4 O=C([O-])CCCCO S41306 [0,1,0,0,0,0|1,0,1]=3 108 B7R0.7 CCC[C@H](N)CCO A43513 [0,1,0,0,0,0|0,0,0]=1 109 B7R0.7 CCOC(=O)CCBr E39188 [0,1,0,0,0,0|2,0,1]=4 110 B7R0.7 CCOC(=O)CCI E41273 [0,1,0,0,0,0|2,0,1]=4 111 B7R0.7 CCOC(=O)CCO E36682 [0,1,0,0,0,0|1,0,1]=3 112 B7R0.7 COCC(N)COC D40447 [0,1,0,0,0,0|3,0,0]=4 113 B7R0.7 O=C(CCCl)CCCl D67616 [0,1,0,0,0,0|2,0,1]=4 114 B7R1.1 BrCC1=CCCC1 B7551 [0,0,0,1,0,0|1,0,2]=4 115 B7R1.1 BrCC1CCCC1 B23399 [0,0,0,1,0,0|1,0,0]=2 116 B7R1.1 BrC[C@H]1CCCO1 B17294 [0,0,0,1,0,0|1,0,0]=2 117 B7R1.1 BrC[C@H]1CCOC1 T0399 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.1 C#C[C@H]1CCOC1 E11326 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.1 CC[C@@H]1CCNC1 E22541 [0,0,0,1,0,0|2,0,0]=3 120 B7R1.1 CC[C@H]1CCNC1 E22542 [0,0,0,1,0,0|2,0,0]=3 121 B7R1.1 CN[C@@H]1CCOC1 M15031 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.1 CN[C@H]1CCOC1 M1156 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.1 COC1=NCCC1 M69559 [0,0,0,1,0,0|2,0,1]=4 124 B7R1.1 CO[C@@H]1CCNC1 M0200 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.1 CO[C@@H]1CCNC1 M12251 [0,0,0,1,0,0|3,0,0]=4 126 B7R1.1 CO[C@H]1CCNC1 M1159 [0,0,0,1,0,0|3,0,0]=4 127 B7R1.1 CO[C@H]1CCNC1 M7459 [0,0,0,1,0,0|3,0,0]=4 128 B7R1.1 FC[C@@H]1CCCN1 F1127 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.1 FC[C@@H]1CCNC1 F60420 [0,0,0,1,0,0|2,0,0]=3 130 B7R1.1 FC[C@H]1CCCN1 F12954 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.1 IC[C@H]1CCOC1 I12451 [0,0,0,1,0,0|2,0,0]=3 132 B7R1.1 N#C[C@@H]1CCCN1 C10155 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.1 N#C[C@@H]1CCCN1 C10523 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.1 N#C[C@@H]1CCCN1 C12934 [0,0,0,1,0,0|2,0,1]=4 135 B7R1.1 N#C[C@@H]1CCCN1 C12935 [0,0,0,1,0,0|2,0,1]=4 136 B7R1.1 N#C[C@@H]1CCNC1 P1832 [0,0,0,1,0,0|2,0,1]=4 137 B7R1.1 N#C[C@@H]1CCOC1 T12072 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.1 N#C[C@H]1CCCN1 C10524 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.1 N#C[C@H]1CCCN1 C12936 [0,0,0,1,0,0|2,0,1]=4 140 B7R1.1 N#C[C@H]1CCNC1 C7506 [0,0,0,1,0,0|2,0,1]=4 141 B7R1.1 N#C[C@H]1CCNC1 P12308 [0,0,0,1,0,0|2,0,1]=4 142 B7R1.1 N#C[C@H]1CCNC1 P1833 [0,0,0,1,0,0|2,0,1]=4 143 B7R1.1 N#C[C@H]1CCOC1 T12073 [0,0,0,1,0,0|2,0,1]=4 144 B7R1.1 N#C[C@H]1CCOC1 T12452 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.1 NCC1CCCC1 C5395 [0,0,0,1,0,0|1,0,0]=2 146 B7R1.1 NC[C@@H]1CCCN1 A7822 [0,0,0,1,0,0|2,0,0]=3 147 B7R1.1 NC[C@@H]1CCCO1 T25038 [0,0,0,1,0,0|1,0,0]=2 148 B7R1.1 NC[C@@H]1CCOC1 T10325 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.1 NC[C@@H]1CCOC1 T1675 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.1 NC[C@H]1CCCN1 A60830 [0,0,0,1,0,0|2,0,0]=3 151 B7R1.1 NC[C@H]1CCOC1 T10324 [0,0,0,1,0,0|2,0,0]=3 152 B7R1.1 NC[C@H]1CCOC1 T1153 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.1 NC[C@H]1CCOC1 T1674 [0,0,0,1,0,0|2,0,0]=3 154 B7R1.1 NC[C@H]1CCOC1 T7262 [0,0,0,1,0,0|2,0,0]=3 155 B7R1.1 NNC1CCCC1 C22580 [0,0,0,1,0,0|2,0,0]=3 156 B7R1.1 O=CC1CCCC1 C25963 [0,0,0,1,0,0|0,0,2]=3 157 B7R1.1 OCC1CC=CC1 C11867 [0,0,0,1,0,0|0,0,2]=3 158 B7R1.1 OCC1CCCC1 C23297 [0,0,0,1,0,0|0,0,0]=1 159 B7R1.1 OCC1OCCO1 D40256 [0,0,0,1,0,0|2,0,0]=3 160 B7R1.1 OC[C@@H]1CCCN1 P1125 [0,0,0,1,0,0|1,0,0]=2 161 B7R1.1 OC[C@@H]1CCCN1 P1542 [0,0,0,1,0,0|1,0,0]=2 162 B7R1.1 OC[C@@H]1CCCO1 T40383 [0,0,0,1,0,0|1,0,0]=2 163 B7R1.1 OC[C@@H]1CCNC1 H11286 [0,0,0,1,0,0|1,0,0]=2 164 B7R1.1 OC[C@@H]1CCNC1 P1348 [0,0,0,1,0,0|1,0,0]=2 165 B7R1.1 OC[C@@H]1CCOC1 T0397 [0,0,0,1,0,0|1,0,0]=2 166 B7R1.1 OC[C@H]1CCCN1 P14128 [0,0,0,1,0,0|1,0,0]=2 167 B7R1.1 OC[C@H]1CCCN1 P67898 [0,0,0,1,0,0|1,0,0]=2 168 B7R1.1 OC[C@H]1CCCO1 T67581 [0,0,0,1,0,0|1,0,0]=2 169 B7R1.1 OC[C@H]1CCCO1 T68627 [0,0,0,1,0,0|1,0,0]=2 170 B7R1.1 OC[C@H]1CCNC1 H1594 [0,0,0,1,0,0|1,0,0]=2 171 B7R1.1 OC[C@H]1CCNC1 H7915 [0,0,0,1,0,0|1,0,0]=2 172 B7R1.1 OC[C@H]1CCNC1 P1155 [0,0,0,1,0,0|1,0,0]=2 173 B7R1.1 OC[C@H]1CCNC1 P41328 [0,0,0,1,0,0|1,0,0]=2 174 B7R1.1 OC[C@H]1CCNC1 P6954 [0,0,0,1,0,0|1,0,0]=2 175 B7R1.1 OC[C@H]1CCOC1 T0396 [0,0,0,1,0,0|1,0,0]=2 176 B7R1.1 OC[C@H]1CCOC1 T0398 [0,0,0,1,0,0|1,0,0]=2 177 B7R1.3 BrC1CCCCC1 B69054 [0,0,0,1,0,0|1,0,0]=2 178 B7R1.3 BrC1CCNCC1 B40375 [0,0,0,1,0,0|2,0,0]=3 179 B7R1.3 BrC1CCOCC1 B1507 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.3 BrC1CCSCC1 B31817 [0,0,0,1,0,0|2,0,0]=3 181 B7R1.3 C=C1CCNCC1 M19855 [0,0,0,1,0,0|2,0,1]=4 182 B7R1.3 C=C1CCOCC1 M23324 [0,0,0,1,0,0|2,0,1]=4 183 B7R1.3 CC1=CCCNC1 M12102 [0,0,0,1,0,0|2,0,1]=4 184 B7R1.3 CC1=CCNCC1 M26826 [0,0,0,1,0,0|2,0,1]=4 185 B7R1.3 CC1SCCCS1 M63108 [0,0,0,1,0,0|1,1,0]=3 186 B7R1.3 CN1CCNCC1 M13367 [0,0,0,1,0,0|3,0,0]=4 187 B7R1.3 C[C@@H]1CCCNC1 M43474 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.3 C[C@@H]1CNCCN1 M10716 [0,0,0,1,0,0|2,0,0]=3 189 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,0,0,1,0,0|1,0,0]=2 190 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,0,0,1,0,0|1,0,0]=2 191 B7R1.3 C[C@@H]1COCCN1 M26868 [0,0,0,1,0,0|2,0,0]=3 192 B7R1.3 C[C@@H]1COCCN1 M9009 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.3 C[C@H]1CCCCN1 M43475 [0,0,0,1,0,0|1,0,0]=2 194 B7R1.3 C[C@H]1CNCCN1 M10717 [0,0,0,1,0,0|2,0,0]=3 195 B7R1.3 C[C@H]1CNCCO1 M15401 [0,0,0,1,0,0|1,0,0]=2 196 B7R1.3 C[C@H]1CNCCO1 M15402 [0,0,0,1,0,0|1,0,0]=2 197 B7R1.3 C[C@H]1CNCCO1 M29509 [0,0,0,1,0,0|1,0,0]=2 198 B7R1.3 C[C@H]1CNCCO1 M41323 [0,0,0,1,0,0|1,0,0]=2 199 B7R1.3 C[C@H]1COCCN1 M23631 [0,0,0,1,0,0|2,0,0]=3 200 B7R1.3 C[C@H]1COCCN1 M41324 [0,0,0,1,0,0|2,0,0]=3 201 B7R1.3 C[C@H]1COCCN1 M8924 [0,0,0,1,0,0|2,0,0]=3 202 B7R1.3 ClC1CCNCC1 C40376 [0,0,0,1,0,0|2,0,0]=3 203 B7R1.3 ClC1CCOCC1 C4527 [0,0,0,1,0,0|2,0,0]=3 204 B7R1.3 FC1CCNCC1 F6080 [0,0,0,1,0,0|2,0,0]=3 205 B7R1.3 F[C@@H]1CCCNC1 F7495 [0,0,0,1,0,0|2,0,0]=3 206 B7R1.3 F[C@H]1CCCNC1 F1651 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.3 F[C@H]1CCCNC1 F7461 [0,0,0,1,0,0|2,0,0]=3 208 B7R1.3 IC1CCOCC1 I1189 [0,0,0,1,0,0|2,0,0]=3 209 B7R1.3 IC1CCSCC1 I31818 [0,0,0,1,0,0|2,0,0]=3 210 B7R1.3 NC1CCCCC1 C39283 [0,0,0,1,0,0|1,0,0]=2 211 B7R1.3 NC1CCNCC1 P67610 [0,0,0,1,0,0|2,0,0]=3 212 B7R1.3 NC1CCOCC1 A1504 [0,0,0,1,0,0|2,0,0]=3 213 B7R1.3 NC1CCOCC1 T1169 [0,0,0,1,0,0|2,0,0]=3 214 B7R1.3 NC1CCSCC1 T22381 [0,0,0,1,0,0|2,0,0]=3 215 B7R1.3 NC1CCSCC1 T5312 [0,0,0,1,0,0|2,0,0]=3 216 B7R1.3 NN1CCOCC1 A39946 [0,0,0,1,0,0|3,0,0]=4 217 B7R1.3 N[C@@H]1CCCNC1 A10836 [0,0,0,1,0,0|2,0,0]=3 218 B7R1.3 N[C@@H]1CCCNC1 P32424 [0,0,0,1,0,0|2,0,0]=3 219 B7R1.3 N[C@@H]1CCCOC1 X18615 [0,0,0,1,0,0|2,0,0]=3 220 B7R1.3 N[C@H]1CCCNC1 P41385 [0,0,0,1,0,0|2,0,0]=3 221 B7R1.3 N[C@H]1CCCNC1 P67457 [0,0,0,1,0,0|2,0,0]=3 222 B7R1.3 N[C@H]1CCCOC1 T1132 [0,0,0,1,0,0|2,0,0]=3 223 B7R1.3 N[C@H]1CCCOC1 X17960 [0,0,0,1,0,0|2,0,0]=3 224 B7R1.3 O=C1CCCCN1 P69632 [0,0,0,1,0,0|1,0,2]=4 225 B7R1.3 O=C1CCCNC1 P1523 [0,0,0,1,0,0|1,0,2]=4 226 B7R1.3 O=C1CCCNC1 P31811 [0,0,0,1,0,0|1,0,2]=4 227 B7R1.3 O=C1CCCOC1 T7026 [0,0,0,1,0,0|1,0,2]=4 228 B7R1.3 O=C1CCCSC1 T1776 [0,0,0,1,0,0|1,0,2]=4 229 B7R1.3 O=C1CCNCC1 P23503 [0,0,0,1,0,0|1,0,2]=4 230 B7R1.3 O=C1CCOCC1 T4632 [0,0,0,1,0,0|1,0,2]=4 231 B7R1.3 O=C1CCSCC1 T6200 [0,0,0,1,0,0|1,0,2]=4 232 B7R1.3 O=C1COCCO1 D38663 [0,0,0,1,0,0|2,0,1]=4 233 B7R1.3 O=S1CCNCC1 T5787 [0,0,0,1,0,0|2,0,1]=4 234 B7R1.3 OC1CCNCC1 P24137 [0,0,0,1,0,0|1,0,0]=2 235 B7R1.3 OC1CCNCC1 P41321 [0,0,0,1,0,0|1,0,0]=2 236 B7R1.3 OC1CCOCC1 H0389 [0,0,0,1,0,0|1,0,0]=2 237 B7R1.3 OC1CCSCC1 H31816 [0,0,0,1,0,0|1,0,0]=2 238 B7R1.3 OC1COCOC1 D38760 [0,0,0,1,0,0|2,0,0]=3 239 B7R1.3 O[C@@H]1CCCNC1 H12298 [0,0,0,1,0,0|1,0,0]=2 240 B7R1.3 O[C@@H]1CCCNC1 H1652 [0,0,0,1,0,0|1,0,0]=2 241 B7R1.3 O[C@@H]1CCCOC1 T15984 [0,0,0,1,0,0|1,0,0]=2 242 B7R1.3 O[C@@H]1CNCCO1 M40347 [0,0,0,1,0,0|2,0,0]=3 243 B7R1.3 O[C@H]1CCCNC1 H0276 [0,0,0,1,0,0|1,0,0]=2 244 B7R1.3 O[C@H]1CCCNC1 H10264 [0,0,0,1,0,0|1,0,0]=2 245 B7R1.3 O[C@H]1CCCNC1 H10265 [0,0,0,1,0,0|1,0,0]=2 246 B7R1.3 O[C@H]1CCCNC1 H4736 [0,0,0,1,0,0|1,0,0]=2 247 B7R1.3 O[C@H]1CCCOC1 H11398 [0,0,0,1,0,0|1,0,0]=2 248 B7R1.3 O[C@H]1CCCOC1 T25087 [0,0,0,1,0,0|1,0,0]=2 249 B7R1.3 SC1CCNCC1 P11895 [0,0,0,1,0,0|1,1,0]=3 250 B7R1.3 S[C@H]1CCCNC1 P15399 [0,0,0,1,0,0|1,1,0]=3 251 B7R1.3 [Mg+]C1CCCCC1 C31701 [0,0,0,1,0,0|1,0,0]=2 252 B7R1.3 [Mg+]C1CCOCC1 T8353 [0,0,0,1,0,0|2,0,0]=3 253 B7R1.3 [Mg+]C1CCOCC1 T8354 [0,0,0,1,0,0|2,0,0]=3 254 B7R1.3 [Mg+]C1CCSCC1 T31824 [0,0,0,1,0,0|2,0,0]=3 255 B7R1.4 CN1CCCC1=S M6872 [0,0,0,1,0,0|1,1,1]=4 256 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [0,0,0,1,0,0|1,0,0]=2 257 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [0,0,0,1,0,0|2,0,0]=3 258 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,0,0,1,0,0|1,0,2]=4 259 B7R1.4 C[C@H]1CCCC1=O M41458 [0,0,0,1,0,0|0,0,2]=3 260 B7R1.4 C[C@H]1CCNC1=O M41257 [0,0,0,1,0,0|1,0,2]=4 261 B7R1.4 C[C@H]1CCOC1=O M41224 [0,0,0,1,0,0|1,0,2]=4 262 B7R1.4 F[C@@H]1CNC[C@H]1F D59711 [0,0,0,1,0,0|3,0,0]=4 263 B7R1.4 F[C@H]1CNC[C@@H]1F D25918 [0,0,0,1,0,0|3,0,0]=4 264 B7R1.4 F[C@H]1CNC[C@H]1F D11635 [0,0,0,1,0,0|3,0,0]=4 265 B7R1.4 NC1CCCC1O A40401 [0,0,0,1,0,0|1,0,0]=2 266 B7R1.4 NC1COCC1O A32163 [0,0,0,1,0,0|2,0,0]=3 267 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [0,0,0,1,0,0|1,0,0]=2 268 B7R1.4 N[C@@H]1CCC[C@H]1F F59997 [0,0,0,1,0,0|2,0,0]=3 269 B7R1.4 N[C@@H]1CCC[C@H]1N C41387 [0,0,0,1,0,0|2,0,0]=3 270 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [0,0,0,1,0,0|1,0,0]=2 271 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [0,0,0,1,0,0|1,0,0]=2 272 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [0,0,0,1,0,0|1,0,0]=2 273 B7R1.4 N[C@@H]1CNC[C@H]1F F63102 [0,0,0,1,0,0|3,0,0]=4 274 B7R1.4 N[C@@H]1COC[C@@H]1N T10671 [0,0,0,1,0,0|3,0,0]=4 275 B7R1.4 N[C@@H]1COC[C@@H]1N X29480 [0,0,0,1,0,0|3,0,0]=4 276 B7R1.4 N[C@@H]1COC[C@H]1N T10670 [0,0,0,1,0,0|3,0,0]=4 277 B7R1.4 N[C@@H]1COC[C@H]1O A13516 [0,0,0,1,0,0|2,0,0]=3 278 B7R1.4 N[C@@H]1COC[C@H]1O A20318 [0,0,0,1,0,0|2,0,0]=3 279 B7R1.4 N[C@@H]1COC[C@H]1O A40351 [0,0,0,1,0,0|2,0,0]=3 280 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [0,0,0,1,0,0|1,0,0]=2 281 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [0,0,0,1,0,0|1,0,0]=2 282 B7R1.4 N[C@H]1COC[C@@H]1N T10669 [0,0,0,1,0,0|3,0,0]=4 283 B7R1.4 N[C@H]1COC[C@@H]1N T10672 [0,0,0,1,0,0|3,0,0]=4 284 B7R1.4 N[C@H]1COC[C@@H]1O A13517 [0,0,0,1,0,0|2,0,0]=3 285 B7R1.4 O=C1NCC[C@@H]1O H20173 [0,0,0,1,0,0|2,0,1]=4 286 B7R1.4 O=C1NCC[C@@H]1O H37914 [0,0,0,1,0,0|2,0,1]=4 287 B7R1.4 O=C1NCC[C@H]1O H40227 [0,0,0,1,0,0|2,0,1]=4 288 B7R1.4 O[C@@H]1CCC[C@H]1O C67710 [0,0,0,1,0,0|1,0,0]=2 289 B7R1.4 O[C@@H]1CNC[C@@H]1F F59931 [0,0,0,1,0,0|2,0,0]=3 290 B7R1.4 O[C@@H]1CNC[C@H]1F F11643 [0,0,0,1,0,0|2,0,0]=3 291 B7R1.4 O[C@@H]1CNC[C@H]1F F20203 [0,0,0,1,0,0|2,0,0]=3 292 B7R1.4 O[C@@H]1CNC[C@H]1O P11870 [0,0,0,1,0,0|2,0,0]=3 293 B7R1.4 O[C@H]1CNC[C@@H]1O D11637 [0,0,0,1,0,0|2,0,0]=3 294 B7R1.4 O[C@H]1CNC[C@@H]1O P11869 [0,0,0,1,0,0|2,0,0]=3 295 B7R1.4 O[C@H]1CNC[C@@H]1O P31835 [0,0,0,1,0,0|2,0,0]=3 296 B7R1.4 O[C@H]1CNC[C@H]1O D11638 [0,0,0,1,0,0|2,0,0]=3 297 B7R1.4 O[C@H]1COC[C@H]1O A10821 [0,0,0,1,0,0|2,0,0]=3 298 B7R1.5 CCC[C@@H]1ON1C M65450 [0,0,0,1,0,0|3,0,0]=4 299 B7R1.6 C=CCC1CNC1 P20750 [0,0,0,1,0,0|2,0,1]=4 300 B7R1.6 CCNC1COC1 E8452 [0,0,0,1,0,0|3,0,0]=4 301 B7R1.6 CCOC1CNC1 E41322 [0,0,0,1,0,0|3,0,0]=4 302 B7R1.6 CNCC1COC1 M8438 [0,0,0,1,0,0|3,0,0]=4 303 B7R1.6 COCC1CNC1 A0186 [0,0,0,1,0,0|3,0,0]=4 304 B7R1.6 COCC1CNC1 M1326 [0,0,0,1,0,0|3,0,0]=4 305 B7R1.6 COC[C@@H]1CCN1 M11645 [0,0,0,1,0,0|2,0,0]=3 306 B7R1.6 COC[C@@H]1CCN1 M20218 [0,0,0,1,0,0|2,0,0]=3 307 B7R1.6 COC[C@H]1CCN1 M11646 [0,0,0,1,0,0|2,0,0]=3 308 B7R1.6 COC[C@H]1CCN1 M14791 [0,0,0,1,0,0|2,0,0]=3 309 B7R1.6 ClCCN1CCC1 C11577 [0,0,0,1,0,0|2,0,0]=3 310 B7R1.6 N#CCC1CNC1 A19606 [0,0,0,1,0,0|2,0,1]=4 311 B7R1.6 NCCC1CCC1 C15341 [0,0,0,1,0,0|1,0,0]=2 312 B7R1.6 NCCN1CCC1 A25439 [0,0,0,1,0,0|2,0,0]=3 313 B7R1.6 NNCC1CCC1 C17979 [0,0,0,1,0,0|2,0,0]=3 314 B7R1.6 OCCC1COC1 X6653 [0,0,0,1,0,0|1,0,0]=2 315 B7R1.6 OCCN1CCC1 A25441 [0,0,0,1,0,0|1,0,0]=2 316 B7R1.6 OCC[C@H]1CCO1 X59677 [0,0,0,1,0,0|1,0,0]=2 317 B7R1.7 BrCC#CC1CC1 B42961 [0,0,0,1,0,0|1,0,2]=4 318 B7R1.8 CN1CC[C@@H]1CN A14392 [0,0,0,1,0,0|2,0,0]=3 319 B7R1.8 CN1CC[C@@H]1CN A14394 [0,0,0,1,0,0|2,0,0]=3 320 B7R1.8 CN1CC[C@H]1CN A14393 [0,0,0,1,0,0|2,0,0]=3 321 B7R1.8 CO[C@@H]1CC[C@H]1N M59743 [0,0,0,1,0,0|2,0,0]=3 322 B7R1.8 NCC1CCC1F F59751 [0,0,0,1,0,0|2,0,0]=3 323 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,0,0,1,0,0|1,0,1]=3 324 B7R1.8 OCC1CCC1F F60214 [0,0,0,1,0,0|1,0,0]=2 325 B7R1.24 C1=CCCNCC1 T67173 [0,0,0,1,0,0|1,0,2]=4 326 B7R1.24 C1CCCNCC1 H64495 [0,0,0,1,0,0|1,0,0]=2 327 B7R1.24 C1CNCCNC1 H67920 [0,0,0,1,0,0|2,0,0]=3 328 B7R1.24 C1CNCCOC1 X1345 [0,0,0,1,0,0|1,0,0]=2 329 B7R1.24 C1CNCCSC1 H6236 [0,0,0,1,0,0|1,1,0]=3 330 B4R0.2 BrCCCBr D69412 [2,0,0,0,0,0|2,0,0]=4 331 B4R0.2 C#CCCO B26554 [2,0,0,0,0,0|0,0,2]=4 332 B4R0.2 C=CCCO B40252 [2,0,0,0,0,0|0,0,2]=4 333 B4R0.2 CC#CCO H64582 [2,0,0,0,0,0|0,0,2]=4 334 B4R0.2 CCCNN P39906 [2,0,0,0,0,0|2,0,0]=4 335 B4R0.2 CNCCBr B38473 [2,0,0,0,0,0|2,0,0]=4 336 B4R0.2 CNCCCl C39886 [2,0,0,0,0,0|2,0,0]=4 337 B4R0.2 COCCBr B39138 [2,0,0,0,0,0|2,0,0]=4 338 B4R0.2 COCCI K39881 [2,0,0,0,0,0|2,0,0]=4 339 B4R0.2 CSCCN M62136 [2,0,0,0,0,0|2,0,0]=4 340 B4R0.2 ClCCCI C1367 [2,0,0,0,0,0|2,0,0]=4 341 B4R0.2 ICCCI D39865 [2,0,0,0,0,0|2,0,0]=4 342 B4R0.2 N#CCCO H67414 [2,0,0,0,0,0|1,0,1]=4 343 B4R0.2 NCCCCl C37835 [2,0,0,0,0,0|2,0,0]=4 344 B4R0.2 NCCCO A69322 [2,0,0,0,0,0|1,0,0]=3 345 B4R0.2 NOCCO A39786 [2,0,0,0,0,0|2,0,0]=4 346 B4R0.2 OCCCBr B39137 [2,0,0,0,0,0|1,0,0]=3 347 B4R0.2 OCCCO P69117 [2,0,0,0,0,0|1,0,0]=3 348 B6R0.1 C=CC[C@@H](N)CO A41325 [1,1,0,0,0,0|0,0,2]=4 349 B6R0.1 CCC[C@@H](Cl)CC C63946 [1,1,0,0,0,0|0,0,0]=2 350 B6R0.1 CCC[C@H](N)CO A40443 [1,1,0,0,0,0|0,0,0]=2 351 B6R0.1 CCC[C@H](N)CO A66421 [1,1,0,0,0,0|0,0,0]=2 352 B6R0.1 CCOC(=O)CO E37817 [1,1,0,0,0,0|1,0,1]=4 353 B6R0.1 CNC[C@H](O)CO M37886 [1,1,0,0,0,0|1,0,0]=3 354 B6R0.1 COC(=O)CCO M24551 [1,1,0,0,0,0|1,0,1]=4 355 B6R0.1 CO[C@@H](C)CCO M68623 [1,1,0,0,0,0|1,0,0]=3 356 B6R0.4 CC(=O)CCCCl C68599 [1,1,0,0,0,0|1,0,1]=4 357 B6R0.4 CC(=O)NCCO H68625 [1,1,0,0,0,0|1,0,1]=4 358 B6R0.4 CC(C)CCCO M67872 [1,1,0,0,0,0|0,0,0]=2 359 B6R0.4 CC(C)NCCCl C40431 [1,1,0,0,0,0|2,0,0]=4 360 B6R0.4 CC(C)OCCBr B69154 [1,1,0,0,0,0|2,0,0]=4 361 B6R0.4 CCCCC(=N)N P41343 [1,1,0,0,0,0|1,0,1]=4 362 B6R0.4 CCCCC(=O)[O-] S38573 [1,1,0,0,0,0|0,0,2]=4 363 B6R0.4 CN(C)CCCBr B40430 [1,1,0,0,0,0|2,0,0]=4 364 B6R0.4 CN(C)CCCCl C69241 [1,1,0,0,0,0|2,0,0]=4 365 B6R0.4 CNCCC(=O)O M40350 [1,1,0,0,0,0|1,0,1]=4 366 B6R0.4 CNCCN(C)C T41392 [1,1,0,0,0,0|2,0,0]=4 367 B6R0.4 COCCC(=O)O M40255 [1,1,0,0,0,0|1,0,1]=4 368 B6R0.4 O=C(O)CCCBr B39154 [1,1,0,0,0,0|1,0,1]=4 369 B6R0.4 O=C(O)CCCCl C40232 [1,1,0,0,0,0|1,0,1]=4 370 B8R0.1 C#CCCC(=O)CCO H6251 [0,2,0,0,0,0|0,0,2]=4 371 B8R0.1 CCCC[C@H](N)CCO A62132 [0,2,0,0,0,0|0,0,0]=2 372 B8R0.1 CCOC(=O)CCCBr B69333 [0,2,0,0,0,0|1,0,1]=4 373 B8R0.1 CCOC(=O)CCCI E31893 [0,2,0,0,0,0|1,0,1]=4 374 B8R0.1 CCOC(=O)CCCN E43487 [0,2,0,0,0,0|1,0,1]=4 375 B8R0.4 BrCCCCCCCBr D43869 [0,2,0,0,0,0|1,0,0]=3 376 B8R0.4 C#CCCCCCCO O5669 [0,2,0,0,0,0|0,0,0]=2 377 B8R0.4 C=CCCCCCCCl C47108 [0,2,0,0,0,0|1,0,0]=3 378 B8R0.4 CCCCCCCNC M47212 [0,2,0,0,0,0|1,0,0]=3 379 B8R0.4 CCCCCCN=[N+]=[N-] A1818 [0,2,0,0,0,0|1,0,0]=3 380 B8R0.4 CCOCCOCCO E60752 [0,2,0,0,0,0|0,0,0]=2 381 B8R0.4 COCCCCCCBr B43941 [0,2,0,0,0,0|0,0,0]=2 382 B8R0.4 COCCNCCOC B64968 [0,2,0,0,0,0|1,0,0]=3 383 B8R0.4 COCOCOCOC T40437 [0,2,0,0,0,0|2,0,0]=4 384 B8R0.4 OCCCCCCCBr B43940 [0,2,0,0,0,0|0,0,0]=2 385 B8R0.4 OCCCNCCCO A37173 [0,2,0,0,0,0|0,0,0]=2 386 B8R0.4 [N-]=[N+]=NCCCCCN A1952 [0,2,0,0,0,0|2,0,0]=4 387 B8R0.6 CCCCCC(=O)CBr B43868 [0,2,0,0,0,0|1,0,0]=3 388 B8R0.6 CCCCC[C@@H](O)CC X47206 [0,2,0,0,0,0|0,0,0]=2 389 B8R0.6 CCCCNC(=O)CCl B41547 [0,2,0,0,0,0|1,0,1]=4 390 B8R0.6 CNCCCC(=O)OC M43486 [0,2,0,0,0,0|1,0,1]=4 391 B8R0.6 COC(=O)CCCCBr M41523 [0,2,0,0,0,0|1,0,1]=4 392 B8R0.6 COC(=O)CCCCCl M63406 [0,2,0,0,0,0|1,0,1]=4 393 B8R0.6 COC(=O)CCCCN M43490 [0,2,0,0,0,0|1,0,1]=4 394 B8R0.6 COCCCC(=O)OC M68350 [0,2,0,0,0,0|1,0,1]=4 395 B8R0.6 NCCCC[C@H](N)CO D43570 [0,2,0,0,0,0|0,0,0]=2 396 B8R0.7 C#CCCCCC(=O)O H43713 [0,2,0,0,0,0|0,0,2]=4 397 B8R0.7 C=CCCCCC(=O)O H63383 [0,2,0,0,0,0|0,0,2]=4 398 B8R0.7 CC(C)NCCCCO I38536 [0,2,0,0,0,0|0,0,0]=2 399 B8R0.7 CCCCCCB(O)O H41623 [0,2,0,0,0,0|0,0,0]=2 400 B8R0.7 CCCCCC[C@@H](C)O X47207 [0,2,0,0,0,0|0,0,0]=2 401 B8R0.7 CCNCCCN(C)C E11170 [0,2,0,0,0,0|2,0,0]=4 402 B8R0.7 CN(C)CCOCCO D68347 [0,2,0,0,0,0|1,0,0]=3 403 B8R0.7 COCCOCC(=O)O M37948 [0,2,0,0,0,0|1,0,1]=4 404 B8R0.7 NCCOCCC(=O)O A40415 [0,2,0,0,0,0|1,0,1]=4 405 B8R0.7 O=C(O)CCCCCBr B67880 [0,2,0,0,0,0|0,0,1]=3 406 B8R0.7 O=C(O)CCCCCCl C41527 [0,2,0,0,0,0|0,0,1]=3 407 B8R0.7 O=C(O)CCOCCBr B41274 [0,2,0,0,0,0|1,0,1]=4 408 B8R0.7 O=C([O-])CCCCCO P41406 [0,2,0,0,0,0|0,0,1]=3 409 B8R0.3 CCOC(=O)[C@@H](N)CO E69027 [0,2,0,0,0,0|1,0,1]=4 410 B8R0.3 CCOC(=O)[C@@H](N)CO S41337 [0,2,0,0,0,0|1,0,1]=4 411 B8R0.3 CCOC(=O)[C@H](N)CO E69611 [0,2,0,0,0,0|1,0,1]=4 412 B8R0.8 CCCCC(=O)[C@H](C)N A46508 [0,2,0,0,0,0|1,0,1]=4 413 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [0,2,0,0,0,0|0,0,1]=3 414 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [0,2,0,0,0,0|1,0,1]=4 415 B8R0.11 CCCC[C@H](CC)CBr E67613 [0,2,0,0,0,0|1,0,0]=3 416 B8R0.11 CCCC[C@H](CC)CO E60781 [0,2,0,0,0,0|0,0,0]=2 417 B8R0.11 CCCC[C@H](CC)C[Mg+] E31710 [0,2,0,0,0,0|1,0,0]=3 418 B8R0.11 CCN(CC)CCCCl C43946 [0,2,0,0,0,0|2,0,0]=4 419 B8R0.11 COC(CCCCl)OC C41597 [0,2,0,0,0,0|2,0,0]=4 420 B8R0.25 CCS(=O)(=O)CCCO E4265 [0,2,0,0,0,0|1,0,0]=3 421 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [0,2,0,0,0,0|0,0,1]=3 422 B8R0.5 CCOC(=O)C[C@@H](C)O E64944 [0,2,0,0,0,0|1,0,1]=4 423 B8R0.21 CCCCCS(=O)(=O)[O-] S40421 [0,2,0,0,0,0|1,0,1]=4 424 B8R0.21 CCCCCS(N)(=O)=O P29872 [0,2,0,0,0,0|1,0,1]=4 425 B8R0.21 NCCCCP(=O)(O)O A69195 [0,2,0,0,0,0|2,0,0]=4 426 B8R0.21 O=S(=O)(O)CCCCO H39961 [0,2,0,0,0,0|2,0,0]=4 427 B8R0.28 CC(=O)CCCC(=O)O A41468 [0,2,0,0,0,0|0,0,2]=4 428 B8R0.28 CN(C)CCCC(=O)O D43497 [0,2,0,0,0,0|1,0,1]=4 429 B8R0.22 CCCN(C=O)CCC D43905 [0,2,0,0,0,0|2,0,0]=4 430 B8R0.30 O=S(=O)(CCO)CCO S69177 [0,2,0,0,0,0|2,0,0]=4 431 B6R1.1 C1=CCOCC1 D10810 [1,0,0,1,0,0|0,0,2]=4 432 B6R1.1 C1CCNCC1 P67647 [1,0,0,1,0,0|1,0,0]=3 433 B6R1.1 C1CCNNC1 H8288 [1,0,0,1,0,0|2,0,0]=4 434 B6R1.1 C1CCONC1 X13780 [1,0,0,1,0,0|1,0,0]=3 435 B6R1.1 C1CCONC1 X40342 [1,0,0,1,0,0|1,0,0]=3 436 B6R1.1 C1CNCOC1 X40263 [1,0,0,1,0,0|1,0,0]=3 437 B6R1.1 C1CSCCN1 T17901 [1,0,0,1,0,0|1,1,0]=4 438 B6R1.2 Br[C@H]1CCNC1 B40246 [1,0,0,1,0,0|2,0,0]=4 439 B6R1.2 Br[C@H]1CCOC1 B0393 [1,0,0,1,0,0|2,0,0]=4 440 B6R1.2 CC1=NCCC1 M41239 [1,0,0,1,0,0|1,0,1]=4 441 B6R1.2 C[C@@H]1CCCN1 M23610 [1,0,0,1,0,0|1,0,0]=3 442 B6R1.2 C[C@@H]1CCNC1 M22540 [1,0,0,1,0,0|1,0,0]=3 443 B6R1.2 C[C@H]1CCCN1 M21836 [1,0,0,1,0,0|1,0,0]=3 444 B6R1.2 C[C@H]1CCCN1 M24199 [1,0,0,1,0,0|1,0,0]=3 445 B6R1.2 C[C@H]1CCCN1 M24435 [1,0,0,1,0,0|1,0,0]=3 446 B6R1.2 C[C@H]1CCNC1 M22012 [1,0,0,1,0,0|1,0,0]=3 447 B6R1.2 C[C@H]1CCNC1 M69520 [1,0,0,1,0,0|1,0,0]=3 448 B6R1.2 F[C@@H]1CCNC1 F7494 [1,0,0,1,0,0|2,0,0]=4 449 B6R1.2 F[C@H]1CCNC1 F0136 [1,0,0,1,0,0|2,0,0]=4 450 B6R1.2 F[C@H]1CCNC1 F7493 [1,0,0,1,0,0|2,0,0]=4 451 B6R1.2 IC1CCCC1 I20419 [1,0,0,1,0,0|1,0,0]=3 452 B6R1.2 I[C@@H]1CCOC1 I1538 [1,0,0,1,0,0|2,0,0]=4 453 B6R1.2 I[C@H]1CCOC1 I0392 [1,0,0,1,0,0|2,0,0]=4 454 B6R1.2 I[C@H]1CCOC1 I1672 [1,0,0,1,0,0|2,0,0]=4 455 B6R1.2 N[C@@H]1CCNC1 P16877 [1,0,0,1,0,0|2,0,0]=4 456 B6R1.2 N[C@@H]1CCNC1 P16878 [1,0,0,1,0,0|2,0,0]=4 457 B6R1.2 N[C@@H]1CCOC1 A7431 [1,0,0,1,0,0|2,0,0]=4 458 B6R1.2 N[C@@H]1CCOC1 X16388 [1,0,0,1,0,0|2,0,0]=4 459 B6R1.2 N[C@H]1CCNC1 P16879 [1,0,0,1,0,0|2,0,0]=4 460 B6R1.2 N[C@H]1CCNC1 P68854 [1,0,0,1,0,0|2,0,0]=4 461 B6R1.2 N[C@H]1CCOC1 A0023 [1,0,0,1,0,0|2,0,0]=4 462 B6R1.2 N[C@H]1CCOC1 A7432 [1,0,0,1,0,0|2,0,0]=4 463 B6R1.2 N[C@H]1CCOC1 T40344 [1,0,0,1,0,0|2,0,0]=4 464 B6R1.2 N[C@H]1CCOC1 X22238 [1,0,0,1,0,0|2,0,0]=4 465 B6R1.2 OC1CC=CC1 C67522 [1,0,0,1,0,0|0,0,2]=4 466 B6R1.2 O[C@@H]1CCNC1 H7458 [1,0,0,1,0,0|1,0,0]=3 467 B6R1.2 O[C@@H]1CCNC1 P4643 [1,0,0,1,0,0|1,0,0]=3 468 B6R1.2 O[C@@H]1CCOC1 H7563 [1,0,0,1,0,0|1,0,0]=3 469 B6R1.2 O[C@H]1CCNC1 H0275 [1,0,0,1,0,0|1,0,0]=3 470 B6R1.2 O[C@H]1CCNC1 H7496 [1,0,0,1,0,0|1,0,0]=3 471 B6R1.2 O[C@H]1CCNC1 P0679 [1,0,0,1,0,0|1,0,0]=3 472 B6R1.2 O[C@H]1CCOC1 H0466 [1,0,0,1,0,0|1,0,0]=3 473 B6R1.2 O[C@H]1CCOC1 H10322 [1,0,0,1,0,0|1,0,0]=3 474 B6R1.2 O[C@H]1CNOC1 K39924 [1,0,0,1,0,0|2,0,0]=4 475 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [1,0,0,1,0,0|2,0,0]=4 476 B6R1.3 CNCC1CC1 C25333 [1,0,0,1,0,0|1,0,0]=3 477 B6R1.3 ICCC1CC1 I23113 [1,0,0,1,0,0|1,0,0]=3 478 B6R1.3 NCCC1CC1 C7864 [1,0,0,1,0,0|1,0,0]=3 479 B6R1.3 NNCC1CC1 C25488 [1,0,0,1,0,0|2,0,0]=4 480 B6R1.3 NOCC1CC1 C36851 [1,0,0,1,0,0|2,0,0]=4 481 B6R1.3 OCCC1CC1 C7861 [1,0,0,1,0,0|0,0,0]=2 482 B6R1.3 OCCN1CC1 A69643 [1,0,0,1,0,0|1,0,0]=3 483 B6R1.4 CC1NCC1F F21597 [1,0,0,1,0,0|2,0,0]=4 484 B6R1.4 C[C@@H]1NC[C@@H]1O M60046 [1,0,0,1,0,0|1,0,0]=3 485 B6R1.6 BrCC1COC1 B19169 [1,0,0,1,0,0|2,0,0]=4 486 B6R1.6 BrC[C@H]1CCO1 B0614 [1,0,0,1,0,0|1,0,0]=3 487 B6R1.6 CNC1CNC1 M1333 [1,0,0,1,0,0|2,0,0]=4 488 B6R1.6 CNC1COC1 M5690 [1,0,0,1,0,0|2,0,0]=4 489 B6R1.6 CN[C@@H]1CCN1 A7337 [1,0,0,1,0,0|2,0,0]=4 490 B6R1.6 COC1CNC1 M0107 [1,0,0,1,0,0|2,0,0]=4 491 B6R1.6 CSC1CNC1 M0303 [1,0,0,1,0,0|2,0,0]=4 492 B6R1.6 FCC1CNC1 F21648 [1,0,0,1,0,0|2,0,0]=4 493 B6R1.6 ICC1CCC1 I29708 [1,0,0,1,0,0|1,0,0]=3 494 B6R1.6 ICC1COC1 I6937 [1,0,0,1,0,0|2,0,0]=4 495 B6R1.6 IC[C@H]1CCO1 I6940 [1,0,0,1,0,0|1,0,0]=3 496 B6R1.6 N#CC1CCC1 C5653 [1,0,0,1,0,0|1,0,1]=4 497 B6R1.6 NCC1CCC1 C0310 [1,0,0,1,0,0|1,0,0]=3 498 B6R1.6 NCC1CCC1 C1144 [1,0,0,1,0,0|1,0,0]=3 499 B6R1.6 NCC1CNC1 A13410 [1,0,0,1,0,0|2,0,0]=4 500 B6R1.6 NCC1COC1 O5691 [1,0,0,1,0,0|2,0,0]=4 501 B6R1.6 NCC1CSC1 T6978 [1,0,0,1,0,0|2,0,0]=4 502 B6R1.6 NC[C@H]1CCO1 X6187 [1,0,0,1,0,0|1,0,0]=3 503 B6R1.6 NNC1CCC1 C37776 [1,0,0,1,0,0|2,0,0]=4 504 B6R1.6 OCC1CCC1 C67424 [1,0,0,1,0,0|0,0,0]=2 505 B6R1.6 OCC1CNC1 A5874 [1,0,0,1,0,0|1,0,0]=3 506 B6R1.6 OCC1CNC1 H12177 [1,0,0,1,0,0|1,0,0]=3 507 B6R1.6 OCC1COC1 X6263 [1,0,0,1,0,0|1,0,0]=3 508 B6R1.6 OCC1CSC1 T20107 [1,0,0,1,0,0|1,0,0]=3 509 B6R1.6 OC[C@@H]1CCN1 A11256 [1,0,0,1,0,0|1,0,0]=3 510 B6R1.6 OC[C@H]1CCN1 A11255 [1,0,0,1,0,0|1,0,0]=3 511 B6R1.6 OC[C@H]1CCN1 A11257 [1,0,0,1,0,0|1,0,0]=3 512 B6R1.6 OC[C@H]1CCO1 X6188 [1,0,0,1,0,0|1,0,0]=3 513 B6R1.6 [Mg+]CC1CCC1 C5036 [1,0,0,1,0,0|1,0,0]=3 514 B8R1.2 BrCC1=CCCCC1 B10308 [0,1,0,1,0,0|1,0,1]=4 515 B8R1.2 BrCC1CCCCC1 B43832 [0,1,0,1,0,0|1,0,0]=3 516 B8R1.2 BrCC1CCNCC1 B1292 [0,1,0,1,0,0|1,0,0]=3 517 B8R1.2 BrCC1CCOCC1 B3933 [0,1,0,1,0,0|1,0,0]=3 518 B8R1.2 BrC[C@H]1CCCOC1 B8026 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.2 C#CC1CCNCC1 E24220 [0,1,0,1,0,0|1,0,1]=4 520 B8R1.2 C#CC1CCOCC1 E0568 [0,1,0,1,0,0|1,0,1]=4 521 B8R1.2 C#CC1CCSCC1 E13094 [0,1,0,1,0,0|1,0,1]=4 522 B8R1.2 C#C[C@H]1CCCNC1 E14072 [0,1,0,1,0,0|1,0,1]=4 523 B8R1.2 C#C[C@H]1CCCOC1 E14193 [0,1,0,1,0,0|0,0,2]=4 524 B8R1.2 CCC1COCCN1 O5554 [0,1,0,1,0,0|1,0,0]=3 525 B8R1.2 CCN1CCNCC1 E13368 [0,1,0,1,0,0|2,0,0]=4 526 B8R1.2 CC[C@@H]1CNCCN1 E67103 [0,1,0,1,0,0|1,0,0]=3 527 B8R1.2 CC[C@H]1CCCCN1 E46502 [0,1,0,1,0,0|1,0,0]=3 528 B8R1.2 CC[C@H]1CNCCN1 E13389 [0,1,0,1,0,0|1,0,0]=3 529 B8R1.2 CC[C@H]1CNCCN1 E13401 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.2 CC[C@H]1CNCCN1 E65175 [0,1,0,1,0,0|1,0,0]=3 531 B8R1.2 CC[C@H]1COCCN1 E22377 [0,1,0,1,0,0|1,0,0]=3 532 B8R1.2 CNC1CCNCC1 M13774 [0,1,0,1,0,0|2,0,0]=4 533 B8R1.2 CNC1CCOCC1 M10218 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.2 CN[C@H]1CCCNC1 M43509 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.2 CN[C@H]1CCCNC1 M43560 [0,1,0,1,0,0|2,0,0]=4 536 B8R1.2 COC1CCNCC1 M0482 [0,1,0,1,0,0|1,0,0]=3 537 B8R1.2 COC1CCNCC1 M1164 [0,1,0,1,0,0|1,0,0]=3 538 B8R1.2 CO[C@@H]1CCCNC1 M10269 [0,1,0,1,0,0|1,0,0]=3 539 B8R1.2 CO[C@@H]1CCCNC1 M10270 [0,1,0,1,0,0|1,0,0]=3 540 B8R1.2 CO[C@H]1CCCNC1 M10271 [0,1,0,1,0,0|1,0,0]=3 541 B8R1.2 CO[C@H]1CCCNC1 M1167 [0,1,0,1,0,0|1,0,0]=3 542 B8R1.2 CO[C@H]1CCCNC1 M7502 [0,1,0,1,0,0|1,0,0]=3 543 B8R1.2 ClC[C@H]1CCCCN1 C41543 [0,1,0,1,0,0|1,0,0]=3 544 B8R1.2 FCC1CCNCC1 F1237 [0,1,0,1,0,0|1,0,0]=3 545 B8R1.2 FCC1CCNCC1 F14211 [0,1,0,1,0,0|1,0,0]=3 546 B8R1.2 FC[C@H]1CCCCN1 F1342 [0,1,0,1,0,0|1,0,0]=3 547 B8R1.2 ICC1CCCCC1 I38363 [0,1,0,1,0,0|1,0,0]=3 548 B8R1.2 ICC1CCOCC1 I10217 [0,1,0,1,0,0|1,0,0]=3 549 B8R1.2 I[Zn]C1CCOCC1 T31854 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.2 N#CC1CCCCC1 C69224 [0,1,0,1,0,0|1,0,0]=3 551 B8R1.2 N#CC1CCCCN1 P20239 [0,1,0,1,0,0|1,0,1]=4 552 B8R1.2 N#CC1CCNCC1 C10273 [0,1,0,1,0,0|1,0,1]=4 553 B8R1.2 N#CC1CCOCC1 C1508 [0,1,0,1,0,0|1,0,1]=4 554 B8R1.2 N#CC1CCSCC1 T13089 [0,1,0,1,0,0|1,0,1]=4 555 B8R1.2 N#C[C@@H]1CCCCN1 C13305 [0,1,0,1,0,0|1,0,1]=4 556 B8R1.2 N#C[C@@H]1CCCCN1 P43432 [0,1,0,1,0,0|1,0,1]=4 557 B8R1.2 N#C[C@@H]1CCCNC1 C15044 [0,1,0,1,0,0|1,0,1]=4 558 B8R1.2 N#C[C@@H]1CNCCO1 M41361 [0,1,0,1,0,0|1,0,1]=4 559 B8R1.2 N#C[C@@H]1CNCCO1 M41363 [0,1,0,1,0,0|1,0,1]=4 560 B8R1.2 N#C[C@H]1CCCNC1 C15045 [0,1,0,1,0,0|1,0,1]=4 561 B8R1.2 N#C[C@H]1CCCNC1 C1622 [0,1,0,1,0,0|1,0,1]=4 562 B8R1.2 NCC1CCCCC1 C43900 [0,1,0,1,0,0|1,0,0]=3 563 B8R1.2 NCC1CCOCC1 T1166 [0,1,0,1,0,0|1,0,0]=3 564 B8R1.2 NCC1CCSCC1 T13090 [0,1,0,1,0,0|1,0,0]=3 565 B8R1.2 NC[C@@H]1CCCOC1 T14517 [0,1,0,1,0,0|1,0,0]=3 566 B8R1.2 NC[C@@H]1COCCO1 D11964 [0,1,0,1,0,0|1,0,0]=3 567 B8R1.2 NC[C@H]1CCCCN1 P68366 [0,1,0,1,0,0|1,0,0]=3 568 B8R1.2 NC[C@H]1CCCNC1 P60926 [0,1,0,1,0,0|1,0,0]=3 569 B8R1.2 NC[C@H]1CCCOC1 A14515 [0,1,0,1,0,0|1,0,0]=3 570 B8R1.2 NC[C@H]1CCCOC1 T14516 [0,1,0,1,0,0|1,0,0]=3 571 B8R1.2 NC[C@H]1CNCCO1 M61772 [0,1,0,1,0,0|1,0,0]=3 572 B8R1.2 NC[C@H]1COCCO1 D11965 [0,1,0,1,0,0|1,0,0]=3 573 B8R1.2 NC[C@H]1COCCO1 D15491 [0,1,0,1,0,0|1,0,0]=3 574 B8R1.2 NNC1CCCCC1 C43508 [0,1,0,1,0,0|1,0,0]=3 575 B8R1.2 NNC1CCOCC1 T12041 [0,1,0,1,0,0|2,0,0]=4 576 B8R1.2 NNC1CCOCC1 T64234 [0,1,0,1,0,0|2,0,0]=4 577 B8R1.2 NO[C@@H]1CCCCO1 T24832 [0,1,0,1,0,0|1,0,0]=3 578 B8R1.2 O=CC1CCOCC1 T0115 [0,1,0,1,0,0|0,0,2]=4 579 B8R1.2 O=CC1CCSCC1 T31827 [0,1,0,1,0,0|0,0,2]=4 580 B8R1.2 O=CN1CCCCC1 P68910 [0,1,0,1,0,0|0,0,2]=4 581 B8R1.2 OCC1CCNCC1 P0766 [0,1,0,1,0,0|0,0,0]=2 582 B8R1.2 OCC1CCOCC1 H0390 [0,1,0,1,0,0|0,0,0]=2 583 B8R1.2 OCC1CCSCC1 T13093 [0,1,0,1,0,0|0,0,0]=2 584 B8R1.2 OC[C@@H]1CC=CCC1 C43800 [0,1,0,1,0,0|0,0,1]=3 585 B8R1.2 OC[C@@H]1CCCCN1 P7111 [0,1,0,1,0,0|0,0,0]=2 586 B8R1.2 OC[C@@H]1CCCCO1 X24024 [0,1,0,1,0,0|0,0,0]=2 587 B8R1.2 OC[C@@H]1CCCNC1 P41579 [0,1,0,1,0,0|0,0,0]=2 588 B8R1.2 OC[C@@H]1CCCNC1 P60999 [0,1,0,1,0,0|0,0,0]=2 589 B8R1.2 OC[C@@H]1CCCOC1 X59846 [0,1,0,1,0,0|0,0,0]=2 590 B8R1.2 OC[C@@H]1CNCCO1 M18586 [0,1,0,1,0,0|1,0,0]=3 591 B8R1.2 OC[C@@H]1COCCN1 H40409 [0,1,0,1,0,0|1,0,0]=3 592 B8R1.2 OC[C@@H]1COCCN1 M41331 [0,1,0,1,0,0|1,0,0]=3 593 B8R1.2 OC[C@@H]1COCCO1 D23560 [0,1,0,1,0,0|1,0,0]=3 594 B8R1.2 OC[C@H]1CCCCN1 H41578 [0,1,0,1,0,0|0,0,0]=2 595 B8R1.2 OC[C@H]1CCCCN1 P7110 [0,1,0,1,0,0|0,0,0]=2 596 B8R1.2 OC[C@H]1CCCNC1 P0762 [0,1,0,1,0,0|0,0,0]=2 597 B8R1.2 OC[C@H]1CCCNC1 P41576 [0,1,0,1,0,0|0,0,0]=2 598 B8R1.2 OC[C@H]1CCCOC1 H11515 [0,1,0,1,0,0|0,0,0]=2 599 B8R1.2 OC[C@H]1CCCOC1 X59849 [0,1,0,1,0,0|0,0,0]=2 600 B8R1.2 OC[C@H]1CNCCN1 P41389 [0,1,0,1,0,0|1,0,0]=3 601 B8R1.2 OC[C@H]1CNCCN1 P41390 [0,1,0,1,0,0|1,0,0]=3 602 B8R1.2 OC[C@H]1CNCCO1 M19813 [0,1,0,1,0,0|1,0,0]=3 603 B8R1.2 OC[C@H]1CNCCO1 M40407 [0,1,0,1,0,0|1,0,0]=3 604 B8R1.2 OC[C@H]1CNCCO1 M41329 [0,1,0,1,0,0|1,0,0]=3 605 B8R1.2 OC[C@H]1COCCN1 M41332 [0,1,0,1,0,0|1,0,0]=3 606 B8R1.2 OC[C@H]1COCCN1 M61069 [0,1,0,1,0,0|1,0,0]=3 607 B8R1.2 OC[C@H]1COCCN1 M61885 [0,1,0,1,0,0|1,0,0]=3 608 B8R1.2 OC[C@H]1COCCO1 D23561 [0,1,0,1,0,0|1,0,0]=3 609 B8R1.2 OC[C@H]1COCCO1 D40389 [0,1,0,1,0,0|1,0,0]=3 610 B8R1.2 ON=C1CCOCC1 T0658 [0,1,0,1,0,0|1,0,1]=4 611 B8R1.2 ON=C1CCSCC1 T6161 [0,1,0,1,0,0|1,0,1]=4 612 B8R1.2 ONC1CCCCC1 C43480 [0,1,0,1,0,0|0,0,0]=2 613 B8R1.2 [Mg+]CC1CCCCC1 C31706 [0,1,0,1,0,0|1,0,0]=3 614 B8R1.5 CC1CCNCC1O H11697 [0,1,0,1,0,0|0,0,0]=2 615 B8R1.5 CC1CCNCC1O H11698 [0,1,0,1,0,0|0,0,0]=2 616 B8R1.5 CC1CNCCC1O M17031 [0,1,0,1,0,0|0,0,0]=2 617 B8R1.5 CC1CNCCC1O M41575 [0,1,0,1,0,0|0,0,0]=2 618 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [0,1,0,1,0,0|1,0,0]=3 619 B8R1.5 C[C@@H]1CCNC[C@@H]1O H14889 [0,1,0,1,0,0|0,0,0]=2 620 B8R1.5 C[C@@H]1CCNC[C@H]1O H11699 [0,1,0,1,0,0|0,0,0]=2 621 B8R1.5 C[C@@H]1CCNC[C@H]1O H14888 [0,1,0,1,0,0|0,0,0]=2 622 B8R1.5 C[C@@H]1CNCCN1C D10718 [0,1,0,1,0,0|2,0,0]=4 623 B8R1.5 C[C@@H]1CNCC[C@H]1O M30026 [0,1,0,1,0,0|0,0,0]=2 624 B8R1.5 C[C@@H]1COCC[C@H]1N M14514 [0,1,0,1,0,0|1,0,0]=3 625 B8R1.5 C[C@@H]1COCC[C@H]1N M27647 [0,1,0,1,0,0|1,0,0]=3 626 B8R1.5 C[C@@H]1COCC[C@H]1N M59772 [0,1,0,1,0,0|1,0,0]=3 627 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,1,0,1,0,0|0,0,1]=3 628 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,1,0,1,0,0|0,0,2]=4 629 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,1,0,1,0,0|0,0,2]=4 630 B8R1.5 C[C@H]1CCNC[C@H]1O H11700 [0,1,0,1,0,0|0,0,0]=2 631 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,1,0,1,0,0|0,0,2]=4 632 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,1,0,1,0,0|0,0,2]=4 633 B8R1.5 C[C@H]1CNCCN1C D11166 [0,1,0,1,0,0|2,0,0]=4 634 B8R1.5 C[C@H]1CNCCN1C D23865 [0,1,0,1,0,0|2,0,0]=4 635 B8R1.5 C[C@H]1CNCCN1C D41606 [0,1,0,1,0,0|2,0,0]=4 636 B8R1.5 C[C@H]1COCCC1=O M11408 [0,1,0,1,0,0|0,0,2]=4 637 B8R1.5 C[C@H]1COCC[C@@H]1N M59773 [0,1,0,1,0,0|1,0,0]=3 638 B8R1.5 C[C@H]1COCC[C@H]1N M11514 [0,1,0,1,0,0|1,0,0]=3 639 B8R1.5 F[C@@H]1CCNC[C@H]1F D15106 [0,1,0,1,0,0|2,0,0]=4 640 B8R1.5 F[C@H]1CCNC[C@H]1F D15107 [0,1,0,1,0,0|2,0,0]=4 641 B8R1.5 NC1COCCC1O A7869 [0,1,0,1,0,0|1,0,0]=3 642 B8R1.5 N[C@@H]1CCCC[C@H]1N C22236 [0,1,0,1,0,0|1,0,0]=3 643 B8R1.5 N[C@@H]1CCCC[C@H]1N C60843 [0,1,0,1,0,0|1,0,0]=3 644 B8R1.5 N[C@@H]1CCCC[C@H]1O A41577 [0,1,0,1,0,0|0,0,0]=2 645 B8R1.5 N[C@@H]1CCCC[C@H]1O A43481 [0,1,0,1,0,0|0,0,0]=2 646 B8R1.5 N[C@@H]1CCOC[C@@H]1F F20714 [0,1,0,1,0,0|2,0,0]=4 647 B8R1.5 N[C@@H]1CCOC[C@@H]1F F60225 [0,1,0,1,0,0|2,0,0]=4 648 B8R1.5 N[C@@H]1CCOC[C@@H]1O A11506 [0,1,0,1,0,0|1,0,0]=3 649 B8R1.5 N[C@@H]1CCOC[C@@H]1O A20209 [0,1,0,1,0,0|1,0,0]=3 650 B8R1.5 N[C@@H]1CCOC[C@H]1F F19599 [0,1,0,1,0,0|2,0,0]=4 651 B8R1.5 N[C@@H]1CCOC[C@H]1O A11507 [0,1,0,1,0,0|1,0,0]=3 652 B8R1.5 N[C@@H]1CCOC[C@H]1O A20694 [0,1,0,1,0,0|1,0,0]=3 653 B8R1.5 N[C@@H]1COCC[C@@H]1O A20910 [0,1,0,1,0,0|1,0,0]=3 654 B8R1.5 N[C@@H]1COCC[C@@H]1O A21545 [0,1,0,1,0,0|1,0,0]=3 655 B8R1.5 N[C@@H]1COCC[C@H]1O A12092 [0,1,0,1,0,0|1,0,0]=3 656 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,1,0,1,0,0|0,0,2]=4 657 B8R1.5 N[C@H]1CCCC[C@@H]1N C65455 [0,1,0,1,0,0|1,0,0]=3 658 B8R1.5 N[C@H]1CCCC[C@@H]1O A43482 [0,1,0,1,0,0|0,0,0]=2 659 B8R1.5 N[C@H]1CCCC[C@@H]1O A64879 [0,1,0,1,0,0|0,0,0]=2 660 B8R1.5 N[C@H]1CCCC[C@H]1N C67193 [0,1,0,1,0,0|1,0,0]=3 661 B8R1.5 N[C@H]1CCCC[C@H]1O A38152 [0,1,0,1,0,0|0,0,0]=2 662 B8R1.5 N[C@H]1CCCC[C@H]1O A43479 [0,1,0,1,0,0|0,0,0]=2 663 B8R1.5 N[C@H]1CCOC[C@@H]1F F27830 [0,1,0,1,0,0|2,0,0]=4 664 B8R1.5 N[C@H]1CCOC[C@@H]1F P20737 [0,1,0,1,0,0|2,0,0]=4 665 B8R1.5 N[C@H]1CCOC[C@@H]1O A16546 [0,1,0,1,0,0|1,0,0]=3 666 B8R1.5 N[C@H]1CCOC[C@H]1O A10117 [0,1,0,1,0,0|1,0,0]=3 667 B8R1.5 N[C@H]1CCOC[C@H]1O A27832 [0,1,0,1,0,0|1,0,0]=3 668 B8R1.5 N[C@H]1COCC[C@@H]1O A20755 [0,1,0,1,0,0|1,0,0]=3 669 B8R1.5 N[C@H]1COCC[C@H]1O A59650 [0,1,0,1,0,0|1,0,0]=3 670 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,1,0,1,0,0|1,0,1]=4 671 B8R1.5 OC1CCCCC1Cl C41533 [0,1,0,1,0,0|0,0,0]=2 672 B8R1.5 OC1CCNCC1F F32301 [0,1,0,1,0,0|1,0,0]=3 673 B8R1.5 OC1CCOCC1F F20039 [0,1,0,1,0,0|1,0,0]=3 674 B8R1.5 O[C@@H]1CCNC[C@@H]1F F12118 [0,1,0,1,0,0|1,0,0]=3 675 B8R1.5 O[C@@H]1CCNC[C@H]1O D31613 [0,1,0,1,0,0|1,0,0]=3 676 B8R1.5 O[C@@H]1CCOC[C@H]1F F59990 [0,1,0,1,0,0|1,0,0]=3 677 B8R1.5 O[C@@H]1CNCC[C@H]1F F26881 [0,1,0,1,0,0|1,0,0]=3 678 B8R1.5 O[C@H]1CCCC[C@H]1O C61980 [0,1,0,1,0,0|0,0,0]=2 679 B8R1.5 O[C@H]1CCNC[C@@H]1F F10552 [0,1,0,1,0,0|1,0,0]=3 680 B8R1.5 O[C@H]1CCNC[C@@H]1F F19740 [0,1,0,1,0,0|1,0,0]=3 681 B8R1.5 O[C@H]1CCNC[C@H]1F F10553 [0,1,0,1,0,0|1,0,0]=3 682 B8R1.5 O[C@H]1CCNC[C@H]1F F20213 [0,1,0,1,0,0|1,0,0]=3 683 B8R1.5 O[C@H]1CCOC[C@H]1F F59954 [0,1,0,1,0,0|1,0,0]=3 684 B8R1.5 O[C@H]1CCOC[C@H]1F F60449 [0,1,0,1,0,0|1,0,0]=3 685 B8R1.5 O[C@H]1CNCC[C@@H]1F F10551 [0,1,0,1,0,0|1,0,0]=3 686 B8R1.5 O[C@H]1CNCC[C@H]1O P10148 [0,1,0,1,0,0|1,0,0]=3 687 B8R1.8 BrCCC1OCCO1 B41267 [0,1,0,1,0,0|1,0,0]=3 688 B8R1.8 C#CCN1CCCC1 P46471 [0,1,0,1,0,0|1,0,1]=4 689 B8R1.8 CCO[C@@H]1CCNC1 E13930 [0,1,0,1,0,0|2,0,0]=4 690 B8R1.8 CCO[C@H]1CCNC1 E14045 [0,1,0,1,0,0|2,0,0]=4 691 B8R1.8 CNC[C@H]1CCOC1 M1347 [0,1,0,1,0,0|1,0,0]=3 692 B8R1.8 COC[C@@H]1CCCN1 M14243 [0,1,0,1,0,0|1,0,0]=3 693 B8R1.8 COC[C@@H]1CCNC1 M14792 [0,1,0,1,0,0|1,0,0]=3 694 B8R1.8 COC[C@@H]1CCNC1 M31656 [0,1,0,1,0,0|1,0,0]=3 695 B8R1.8 COC[C@H]1CCCN1 M14242 [0,1,0,1,0,0|1,0,0]=3 696 B8R1.8 COC[C@H]1CCNC1 M14793 [0,1,0,1,0,0|1,0,0]=3 697 B8R1.8 COC[C@H]1CCNC1 M26667 [0,1,0,1,0,0|1,0,0]=3 698 B8R1.8 COC[C@H]1CCNC1 M41581 [0,1,0,1,0,0|1,0,0]=3 699 B8R1.8 ClCCN1CCCC1 C41544 [0,1,0,1,0,0|1,0,0]=3 700 B8R1.8 N#CCN1CCCC1 C43583 [0,1,0,1,0,0|1,0,1]=4 701 B8R1.8 N#CCN1CCCC1 P38197 [0,1,0,1,0,0|1,0,1]=4 702 B8R1.8 NCCC1CCCC1 C46503 [0,1,0,1,0,0|1,0,0]=3 703 B8R1.8 NCCN1CCCC1 P41605 [0,1,0,1,0,0|1,0,0]=3 704 B8R1.8 NCC[C@H]1CCCO1 T1128 [0,1,0,1,0,0|0,0,0]=2 705 B8R1.8 OCC[C@H]1CCCN1 P11010 [0,1,0,1,0,0|0,0,0]=2 706 B8R1.8 OCC[C@H]1CCNC1 P29904 [0,1,0,1,0,0|0,0,0]=2 707 B8R1.8 [N-]=[N+]=NC1CCCC1 A5984 [0,1,0,1,0,0|2,0,0]=4 708 B8R1.10 [N-]=[N+]=NCC1CCC1 A5998 [0,1,0,1,0,0|2,0,0]=4 709 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,1,0,1,0,0|0,0,1]=3 710 B8R1.11 CN1CCC[C@@H]1CN M8172 [0,1,0,1,0,0|1,0,0]=3 711 B8R1.11 CN1CCC[C@@H]1CO M14129 [0,1,0,1,0,0|0,0,0]=2 712 B8R1.11 CN1CCC[C@@H]1CO M41582 [0,1,0,1,0,0|0,0,0]=2 713 B8R1.11 CN1CCC[C@H]1CBr B41540 [0,1,0,1,0,0|1,0,0]=3 714 B8R1.11 CN1CCC[C@H]1CN M0297 [0,1,0,1,0,0|1,0,0]=3 715 B8R1.11 CN1CCC[C@H]1CN M43564 [0,1,0,1,0,0|1,0,0]=3 716 B8R1.11 CN1CCC[C@H]1CO M12480 [0,1,0,1,0,0|0,0,0]=2 717 B8R1.11 CO[C@@H]1CNC[C@@H]1O M23798 [0,1,0,1,0,0|1,0,0]=3 718 B8R1.11 CO[C@@H]1CNC[C@H]1F F11644 [0,1,0,1,0,0|2,0,0]=4 719 B8R1.11 CO[C@@H]1CNC[C@H]1O M11642 [0,1,0,1,0,0|1,0,0]=3 720 B8R1.11 CO[C@H]1CCC[C@H]1N M60050 [0,1,0,1,0,0|1,0,0]=3 721 B8R1.11 CO[C@H]1CNC[C@H]1O M59760 [0,1,0,1,0,0|1,0,0]=3 722 B8R1.11 C[C@@H]1CNC[C@H]1CO M41583 [0,1,0,1,0,0|0,0,0]=2 723 B8R1.11 C[C@H]1CNC[C@@H]1CO M60070 [0,1,0,1,0,0|0,0,0]=2 724 B8R1.11 N#C[C@@H]1CCC[C@@H]1N A13659 [0,1,0,1,0,0|1,0,1]=4 725 B8R1.11 N#C[C@H]1CCC[C@H]1N A20201 [0,1,0,1,0,0|1,0,1]=4 726 B8R1.11 NC[C@@H]1COC[C@H]1O A20782 [0,1,0,1,0,0|1,0,0]=3 727 B8R1.11 NC[C@H]1COC[C@H]1O A20734 [0,1,0,1,0,0|1,0,0]=3 728 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,1,0,1,0,0|0,0,1]=3 729 B8R1.11 O=C1NCC[C@@H]1CO H13645 [0,1,0,1,0,0|1,0,1]=4 730 B8R1.13 COC[C@@H]1CC[C@H]1N M60130 [0,1,0,1,0,0|1,0,0]=3 731 B8R1.13 COC[C@H]1CC[C@@H]1N M59762 [0,1,0,1,0,0|1,0,0]=3 732 B8R1.22 CN1CCCNCC1 M1344 [0,1,0,1,0,0|2,0,0]=4 733 B8R1.22 C[C@H]1CCNCCN1 M13937 [0,1,0,1,0,0|1,0,0]=3 734 B8R1.22 F[C@H]1CCCNCC1 F12235 [0,1,0,1,0,0|1,0,0]=3 735 B8R1.22 N[C@@H]1CCCCNC1 A14699 [0,1,0,1,0,0|1,0,0]=3 736 B8R1.22 N[C@H]1CCCCNC1 A41604 [0,1,0,1,0,0|1,0,0]=3 737 B8R1.22 O=C1CCCNCC1 H12307 [0,1,0,1,0,0|0,0,2]=4 738 B8R1.22 O=C1CCOCCN1 X16165 [0,1,0,1,0,0|1,0,1]=4 739 B8R1.22 O[C@H]1CCCNCC1 H12234 [0,1,0,1,0,0|0,0,0]=2 740 B8R1.1 CCN1CC[C@@H](N)C1 E29600 [0,1,0,1,0,0|2,0,0]=4 741 B8R1.1 CCN1CC[C@H](Cl)C1 C41542 [0,1,0,1,0,0|2,0,0]=4 742 B8R1.1 CCN1CC[C@H](N)C1 E29616 [0,1,0,1,0,0|2,0,0]=4 743 B8R1.1 CCN1CC[C@H](O)C1 E41574 [0,1,0,1,0,0|1,0,0]=3 744 B8R1.1 CN1CC[C@@H](CN)C1 M13066 [0,1,0,1,0,0|2,0,0]=4 745 B8R1.1 CN1CC[C@@H](CN)C1 M30093 [0,1,0,1,0,0|2,0,0]=4 746 B8R1.1 CN1CC[C@@H](CO)C1 H7261 [0,1,0,1,0,0|1,0,0]=3 747 B8R1.1 CN1CC[C@H](CN)C1 M13065 [0,1,0,1,0,0|2,0,0]=4 748 B8R1.1 CN1CC[C@H](CO)C1 H7260 [0,1,0,1,0,0|1,0,0]=3 749 B8R1.1 COC1CCC(N)C1 M27196 [0,1,0,1,0,0|2,0,0]=4 750 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 A43437 [0,1,0,1,0,0|0,0,2]=4 751 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,1,0,1,0,0|1,0,1]=4 752 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,1,0,1,0,0|1,0,1]=4 753 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,1,0,1,0,0|1,0,1]=4 754 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,1,0,1,0,0|1,0,1]=4 755 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,1,0,1,0,0|1,0,1]=4 756 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,1,0,1,0,0|1,0,1]=4 757 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,1,0,1,0,0|1,0,1]=4 758 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [0,1,0,1,0,0|1,0,1]=4 759 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 H23845 [0,1,0,1,0,0|1,0,0]=3 760 B8R1.1 OC[C@@H]1C[C@H](O)CO1 H40394 [0,1,0,1,0,0|1,0,0]=3 761 B8R1.1 OC[C@H]1C[C@@H](O)CN1 H41336 [0,1,0,1,0,0|1,0,0]=3 762 B8R1.3 CC1CCC(=O)CC1 M39288 [0,1,0,1,0,0|0,0,2]=4 763 B8R1.3 CC1CCC(O)CC1 M61965 [0,1,0,1,0,0|0,0,0]=2 764 B8R1.3 CN1CCC(Cl)CC1 C68578 [0,1,0,1,0,0|2,0,0]=4 765 B8R1.3 CN1CCC(N)CC1 A7503 [0,1,0,1,0,0|2,0,0]=4 766 B8R1.3 CN1CCC(O)CC1 H12302 [0,1,0,1,0,0|1,0,0]=3 767 B8R1.3 CN1CCC([Mg+])CC1 M8352 [0,1,0,1,0,0|2,0,0]=4 768 B8R1.3 CN1CCC([Zn+])CC1 M7236 [0,1,0,1,0,0|2,0,0]=4 769 B8R1.3 C[C@@H]1CC[C@H](O)CN1 M59818 [0,1,0,1,0,0|1,0,0]=3 770 B8R1.3 C[C@@H]1CO[C@H](C)CN1 D43484 [0,1,0,1,0,0|1,0,0]=3 771 B8R1.3 C[C@H]1CC[C@@H](N)CC1 M46505 [0,1,0,1,0,0|1,0,0]=3 772 B8R1.3 C[C@H]1CC[C@H](N)CC1 M46506 [0,1,0,1,0,0|1,0,0]=3 773 B8R1.3 C[C@H]1CC[C@H](N)CC1 M68368 [0,1,0,1,0,0|1,0,0]=3 774 B8R1.3 C[C@H]1CN[C@@H](C)CN1 D11163 [0,1,0,1,0,0|2,0,0]=4 775 B8R1.3 C[C@H]1CN[C@H](C)CN1 D41608 [0,1,0,1,0,0|2,0,0]=4 776 B8R1.3 C[C@H]1CN[C@H](C)CO1 D41580 [0,1,0,1,0,0|1,0,0]=3 777 B8R1.3 C[C@H]1CO[C@@H](C)CN1 D43485 [0,1,0,1,0,0|1,0,0]=3 778 B8R1.3 NC1CCC(=O)CC1 A38581 [0,1,0,1,0,0|0,0,2]=4 779 B8R1.3 NC1CCC(Br)CC1 B41541 [0,1,0,1,0,0|1,0,0]=3 780 B8R1.3 NC1CCC(O)CC1 A43478 [0,1,0,1,0,0|0,0,0]=2 781 B8R1.3 NN1CCC(O)CC1 A61614 [0,1,0,1,0,0|1,0,0]=3 782 B8R1.3 N[C@H]1CC[C@@H](O)CC1 A23551 [0,1,0,1,0,0|0,0,0]=2 783 B8R1.3 N[C@H]1CC[C@@H](O)CC1 A29883 [0,1,0,1,0,0|0,0,0]=2 784 B8R1.3 N[C@H]1CC[C@H](N)CC1 C67917 [0,1,0,1,0,0|1,0,0]=3 785 B8R1.3 N[C@H]1CC[C@H](O)CC1 A4686 [0,1,0,1,0,0|0,0,0]=2 786 B8R1.3 O=C1CCC(O)CC1 H18838 [0,1,0,1,0,0|0,0,1]=3 787 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,1,0,1,0,0|1,0,1]=4 788 B8R1.3 OC1COC(O)CO1 D2034 [0,1,0,1,0,0|2,0,0]=4 789 B8R1.3 OC1CSC(O)CS1 D69077 [0,1,0,1,0,0|2,0,0]=4 790 B8R1.3 O[C@H]1CC[C@@H](O)CC1 C11596 [0,1,0,1,0,0|0,0,0]=2 791 B8R1.3 O[C@H]1CC[C@H](O)CC1 C24967 [0,1,0,1,0,0|0,0,0]=2 792 B8R1.38 CC(CO)C1CCO1 X60289 [0,1,0,1,0,0|1,0,0]=3 793 B8R1.47 COC1CC(CN)C1 M0852 [0,1,0,1,0,0|2,0,0]=4 794 B8R1.47 CO[C@H]1C[C@H](CN)C1 M60412 [0,1,0,1,0,0|2,0,0]=4 795 B8R1.52 CC1(CBr)OCCO1 B5418 [0,1,0,1,0,0|2,0,0]=4 796 B8R1.52 CC1(CN)OCCO1 M40413 [0,1,0,1,0,0|2,0,0]=4 797 B8R1.52 CC1(CO)OCCO1 M37741 [0,1,0,1,0,0|2,0,0]=4 798 B8R1.52 CC[N+]1(C)CCCC1 E46620 [0,1,0,1,0,0|2,0,0]=4 799 B8R1.52 C[C@@]1(CO)CCCN1 M27669 [0,1,0,1,0,0|1,0,0]=3 800 B8R1.52 C[C@]1(CBr)CCOC1 B13265 [0,1,0,1,0,0|2,0,0]=4 801 B8R1.52 C[C@]1(CN)CCCO1 M31869 [0,1,0,1,0,0|1,0,0]=3 802 B8R1.52 C[C@]1(CN)CCNC1 M1124 [0,1,0,1,0,0|2,0,0]=4 803 B8R1.52 C[C@]1(CN)CCOC1 A11774 [0,1,0,1,0,0|2,0,0]=4 804 B8R1.52 C[C@]1(CO)CCCN1 M27670 [0,1,0,1,0,0|1,0,0]=3 805 B8R1.52 C[C@]1(CO)CCOC1 M13264 [0,1,0,1,0,0|1,0,0]=3 806 B8R1.52 NCC1(F)CCCC1 F60053 [0,1,0,1,0,0|1,0,0]=3 807 B8R1.52 NCC1(O)CCCC1 A1151 [0,1,0,1,0,0|1,0,0]=3 808 B8R1.52 NCC1(O)CCCC1 A43483 [0,1,0,1,0,0|1,0,0]=3 809 B8R1.52 N[C@@]1(CO)CCOC1 A11595 [0,1,0,1,0,0|1,0,0]=3 810 B8R1.52 OC[C@]1(O)CCNC1 H14632 [0,1,0,1,0,0|1,0,0]=3 811 B8R1.52 OC[C@]1(O)CCNC1 H31243 [0,1,0,1,0,0|1,0,0]=3 812 B8R1.52 O[C@@]1(CF)CCNC1 F27103 [0,1,0,1,0,0|2,0,0]=4 813 B8R1.4 CC1CC(N)CCO1 M26284 [0,1,0,1,0,0|0,0,0]=2 814 B8R1.4 CC1CC(O)CCN1 M11589 [0,1,0,1,0,0|1,0,0]=3 815 B8R1.4 CC1CC(O)CCO1 M14345 [0,1,0,1,0,0|0,0,0]=2 816 B8R1.4 CC1CNCC(C)C1 D39299 [0,1,0,1,0,0|2,0,0]=4 817 B8R1.4 CC1CNCC(C)N1 D4711 [0,1,0,1,0,0|2,0,0]=4 818 B8R1.4 CN1CCC[C@@H](N)C1 A1653 [0,1,0,1,0,0|2,0,0]=4 819 B8R1.4 CN1CCC[C@@H](N)C1 M16827 [0,1,0,1,0,0|2,0,0]=4 820 B8R1.4 CN1CCC[C@@H](O)C1 H1521 [0,1,0,1,0,0|1,0,0]=3 821 B8R1.4 CN1CCC[C@H](N)C1 A0282 [0,1,0,1,0,0|2,0,0]=4 822 B8R1.4 CN1CCC[C@H](N)C1 A1654 [0,1,0,1,0,0|2,0,0]=4 823 B8R1.4 CN1CCC[C@H](N)C1 A7504 [0,1,0,1,0,0|2,0,0]=4 824 B8R1.4 CN1CCC[C@H](O)C1 H0286 [0,1,0,1,0,0|1,0,0]=3 825 B8R1.4 CN1CCC[C@H](O)C1 H1522 [0,1,0,1,0,0|1,0,0]=3 826 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,1,0,1,0,0|1,0,1]=4 827 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,1,0,1,0,0|0,0,1]=3 828 B8R1.4 C[C@@H]1CN(C)CCN1 D27738 [0,1,0,1,0,0|2,0,0]=4 829 B8R1.4 C[C@@H]1CN(C)CCN1 D62333 [0,1,0,1,0,0|2,0,0]=4 830 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D13904 [0,1,0,1,0,0|2,0,0]=4 831 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D20228 [0,1,0,1,0,0|2,0,0]=4 832 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D43561 [0,1,0,1,0,0|2,0,0]=4 833 B8R1.4 C[C@@H]1COC[C@@H](C)N1 D27896 [0,1,0,1,0,0|2,0,0]=4 834 B8R1.4 C[C@@H]1C[C@H](O)CCN1 M31245 [0,1,0,1,0,0|1,0,0]=3 835 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,1,0,1,0,0|1,0,1]=4 836 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,1,0,1,0,0|1,0,1]=4 837 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,1,0,1,0,0|1,0,1]=4 838 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,1,0,1,0,0|0,0,1]=3 839 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,1,0,1,0,0|0,0,1]=3 840 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,1,0,1,0,0|0,0,2]=4 841 B8R1.4 C[C@H]1CN(C)CCN1 D41607 [0,1,0,1,0,0|2,0,0]=4 842 B8R1.4 C[C@H]1CNC[C@@H](C)N1 D10658 [0,1,0,1,0,0|2,0,0]=4 843 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D14096 [0,1,0,1,0,0|1,0,0]=3 844 B8R1.4 C[C@H]1CNC[C@H](C)N1 D11159 [0,1,0,1,0,0|2,0,0]=4 845 B8R1.4 C[C@H]1CNC[C@H](C)N1 D20216 [0,1,0,1,0,0|2,0,0]=4 846 B8R1.4 C[C@H]1CNC[C@H](C)O1 D22785 [0,1,0,1,0,0|1,0,0]=3 847 B8R1.4 C[C@H]1CNC[C@H](C)O1 D7921 [0,1,0,1,0,0|1,0,0]=3 848 B8R1.4 C[C@H]1COC[C@@H](C)N1 D11279 [0,1,0,1,0,0|2,0,0]=4 849 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M11590 [0,1,0,1,0,0|1,0,0]=3 850 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M8079 [0,1,0,1,0,0|1,0,0]=3 851 B8R1.4 NC1CCCC(O)C1 A24893 [0,1,0,1,0,0|0,0,0]=2 852 B8R1.4 NC1CCCC(O)C1 A43477 [0,1,0,1,0,0|0,0,0]=2 853 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 A17953 [0,1,0,1,0,0|0,0,0]=2 854 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A24958 [0,1,0,1,0,0|0,0,0]=2 855 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A32382 [0,1,0,1,0,0|0,0,0]=2 856 B8R1.4 N[C@H]1CCC[C@@H](N)C1 C23932 [0,1,0,1,0,0|1,0,0]=3 857 B8R1.4 N[C@H]1CCC[C@@H](O)C1 A31661 [0,1,0,1,0,0|0,0,0]=2 858 B8R1.4 N[C@H]1CCC[C@H](N)C1 C29966 [0,1,0,1,0,0|1,0,0]=3 859 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,1,0,1,0,0|1,0,1]=4 860 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,1,0,1,0,0|1,0,1]=4 861 B8R1.6 CCOC1CC(N)C1 E15188 [0,1,0,1,0,0|2,0,0]=4 862 B8R1.6 CCO[C@H]1C[C@@H](N)C1 E19476 [0,1,0,1,0,0|2,0,0]=4 863 B8R1.6 CCO[C@H]1C[C@H](N)C1 E15190 [0,1,0,1,0,0|2,0,0]=4 864 B8R1.6 CN1CC(CCO)C1 M7516 [0,1,0,1,0,0|1,0,0]=3 865 B8R1.6 NC1CN(CCO)C1 A19490 [0,1,0,1,0,0|1,0,0]=3 866 B8R1.7 CC(=O)C1CCCC1 C69351 [0,1,0,1,0,0|0,0,2]=4 867 B8R1.7 CC(C)[C@@H]1CCCN1 P29867 [0,1,0,1,0,0|1,0,0]=3 868 B8R1.7 CC(C)[C@H]1CCCN1 P29967 [0,1,0,1,0,0|1,0,0]=3 869 B8R1.7 CC(O)C1CCNC1 P61134 [0,1,0,1,0,0|1,0,0]=3 870 B8R1.7 C[C@H](N)C1CCCC1 C31670 [0,1,0,1,0,0|1,0,0]=3 871 B8R1.7 FC(F)[C@@H]1CCCN1 D19357 [0,1,0,1,0,0|2,0,0]=4 872 B8R1.7 FC(F)[C@@H]1CCCN1 D19603 [0,1,0,1,0,0|2,0,0]=4 873 B8R1.7 FC(F)[C@H]1CCNC1 D19206 [0,1,0,1,0,0|2,0,0]=4 874 B8R1.7 N=C(N)[C@@H]1CCCO1 T41316 [0,1,0,1,0,0|1,0,1]=4 875 B8R1.7 O=C(O)C1CCCC1 C23144 [0,1,0,1,0,0|0,0,1]=3 876 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [0,1,0,1,0,0|1,0,1]=4 877 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,1,0,1,0,0|1,0,1]=4 878 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,1,0,1,0,0|1,0,1]=4 879 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [0,1,0,1,0,0|1,0,1]=4 880 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [0,1,0,1,0,0|1,0,1]=4 881 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [0,1,0,1,0,0|1,0,1]=4 882 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [0,1,0,1,0,0|1,0,1]=4 883 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,1,0,1,0,0|1,0,1]=4 884 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [0,1,0,1,0,0|1,0,1]=4 885 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [0,1,0,1,0,0|1,0,1]=4 886 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [0,1,0,1,0,0|1,0,1]=4 887 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [0,1,0,1,0,0|1,0,1]=4 888 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [0,1,0,1,0,0|1,0,1]=4 889 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [0,1,0,1,0,0|1,0,1]=4 890 B8R1.7 OB(O)C1CCCC1 C2400 [0,1,0,1,0,0|1,0,0]=3 891 B8R1.19 C[C@H]1CNCC1(F)F D29727 [0,1,0,1,0,0|2,0,0]=4 892 B8R1.19 O[C@@H]1CNCC1(F)F D59712 [0,1,0,1,0,0|2,0,0]=4 893 B8R1.19 O[C@H]1CNCC1(F)F D21280 [0,1,0,1,0,0|2,0,0]=4 894 B8R1.27 CCO[C@H]1CC1(Cl)Cl D3695 [0,1,0,1,0,0|2,0,0]=4 895 B8R1.27 OCC[C@H]1CC1(F)F D16951 [0,1,0,1,0,0|1,0,0]=3 896 B8R1.31 CC(C)C1OCC1N P60232 [0,1,0,1,0,0|2,0,0]=4 897 B8R1.31 CC1NCC1C(=O)O M27890 [0,1,0,1,0,0|1,0,1]=4 898 B8R1.31 CN1CC[C@@H]1C(=O)O M22677 [0,1,0,1,0,0|1,0,1]=4 899 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [0,1,0,1,0,0|1,0,1]=4 900 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O A13712 [0,1,0,1,0,0|1,0,1]=4 901 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O A13711 [0,1,0,1,0,0|1,0,1]=4 902 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O A13334 [0,1,0,1,0,0|1,0,1]=4 903 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A13518 [0,1,0,1,0,0|1,0,1]=4 904 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A29882 [0,1,0,1,0,0|1,0,1]=4 905 B8R1.31 O=C(O)C1CCC1F F59749 [0,1,0,1,0,0|1,0,1]=4 906 B8R1.34 O=C(O)CC1CCC1 C24745 [0,1,0,1,0,0|0,0,1]=3 907 B8R1.34 O=C(O)CC1CNC1 A10213 [0,1,0,1,0,0|1,0,1]=4 908 B8R1.34 O=C(O)CC1COC1 X6649 [0,1,0,1,0,0|1,0,1]=4 909 B8R1.48 CC1(C)CO[C@H]1CN D23201 [0,1,0,1,0,0|2,0,0]=4 910 B8R1.48 NC[C@H]1CCC1(F)F D59993 [0,1,0,1,0,0|2,0,0]=4 911 B8R1.48 OC[C@H]1CCC1(F)F D10662 [0,1,0,1,0,0|1,0,0]=3 912 B8R1.72 CC1(C)CCNCC1 D0628 [0,1,0,1,0,0|2,0,0]=4 913 B8R1.72 CC1(C)CNCCN1 D13386 [0,1,0,1,0,0|2,0,0]=4 914 B8R1.72 CC1(C)CNCCO1 D11989 [0,1,0,1,0,0|1,0,0]=3 915 B8R1.72 CC1(C)CNCCO1 D1343 [0,1,0,1,0,0|1,0,0]=3 916 B8R1.72 CC1(C)COCCN1 D24429 [0,1,0,1,0,0|2,0,0]=4 917 B8R1.72 CC1(F)CCNCC1 F43473 [0,1,0,1,0,0|2,0,0]=4 918 B8R1.72 CC1(N)CCOCC1 M10391 [0,1,0,1,0,0|2,0,0]=4 919 B8R1.72 CC1(O)CCCCC1 M43886 [0,1,0,1,0,0|0,0,0]=2 920 B8R1.72 CC1(O)CCNCC1 H7439 [0,1,0,1,0,0|1,0,0]=3 921 B8R1.72 CC1(O)CCNCC1 M0127 [0,1,0,1,0,0|1,0,0]=3 922 B8R1.72 CC1(O)CCOCC1 M25219 [0,1,0,1,0,0|1,0,0]=3 923 B8R1.72 CC1(O)CCSCC1 M41569 [0,1,0,1,0,0|1,0,0]=3 924 B8R1.72 C[C@]1(O)CCCNC1 M1131 [0,1,0,1,0,0|1,0,0]=3 925 B8R1.72 C[C@]1(O)CCCNC1 M59908 [0,1,0,1,0,0|1,0,0]=3 926 B8R1.72 FC1(F)CCCNC1 D36815 [0,1,0,1,0,0|2,0,0]=4 927 B8R1.72 FC1(F)CCCNC1 D7460 [0,1,0,1,0,0|2,0,0]=4 928 B8R1.72 FC1(F)CCNCC1 D41254 [0,1,0,1,0,0|2,0,0]=4 929 B8R1.72 FC1(F)CCNCC1 D6081 [0,1,0,1,0,0|2,0,0]=4 930 B8R1.72 O=S1(=O)CCCCO1 B69155 [0,1,0,1,0,0|2,0,0]=4 931 B8R1.72 OC1(O)CCNCC1 P0354 [0,1,0,1,0,0|1,0,0]=3 932 B8R1.37 CCOC(=O)[C@@H]1CO1 E29853 [0,1,0,1,0,0|1,0,1]=4 933 B8R1.66 NC1(CCO)CCC1 A61672 [0,1,0,1,0,0|0,0,0]=2 934 B8R1.66 NC1(CCO)COC1 A15387 [0,1,0,1,0,0|1,0,0]=3 935 B8R2.11 NC1C2COCC12 X38891 [0,0,0,2,0,0|2,0,0]=4 936 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 A13626 [0,0,0,2,0,0|2,0,0]=4 937 B8R2.11 O[C@H]1[C@@H]2CNC[C@H]12 A27611 [0,0,0,2,0,0|1,0,0]=3 938 B8R2.22 C1CC2CNCC12 A11809 [0,0,0,2,0,0|1,0,0]=3 939 B8R2.22 C1CC2CNCC12 A15175 [0,0,0,2,0,0|1,0,0]=3 940 B8R2.34 C1CC2CCC1N2 A0698 [0,0,0,2,0,0|1,0,0]=3 941 B8R2.34 C1CC2CCC1N2 A8159 [0,0,0,2,0,0|1,0,0]=3 942 B8R2.34 C1OC2CNC1C2 X26396 [0,0,0,2,0,0|1,0,0]=3 943 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X11751 [0,0,0,2,0,0|1,0,0]=3 944 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X14975 [0,0,0,2,0,0|1,0,0]=3 945 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X20221 [0,0,0,2,0,0|1,0,0]=3 946 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X11749 [0,0,0,2,0,0|1,0,0]=3 947 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X11750 [0,0,0,2,0,0|1,0,0]=3 948 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X20220 [0,0,0,2,0,0|1,0,0]=3 949 B8R2.55 C1CC2(CC2)CN1 A8605 [0,0,0,2,0,0|2,0,0]=4 950 B8R2.55 C1CNC2(C1)CC2 A8604 [0,0,0,2,0,0|1,0,0]=3 951 B8R2.18 NC1CC2CC2C1 B11091 [0,0,0,2,0,0|1,0,0]=3 952 B8R2.18 O=C1CC2CC2C1 B43299 [0,0,0,2,0,0|0,0,2]=4 953 B8R2.23 C1NCC2CC1C2 A31840 [0,0,0,2,0,0|2,0,0]=4 954 B8R2.23 C1NCC2CC1O2 X15474 [0,0,0,2,0,0|1,0,0]=3 955 B8R2.23 C1NCC2CC1O2 X19506 [0,0,0,2,0,0|1,0,0]=3 956 B8R2.23 C1OCC2CC1N2 X30108 [0,0,0,2,0,0|2,0,0]=4 957 B8R2.25 C1CC2OC2CO1 D13598 [0,0,0,2,0,0|1,0,0]=3 958 B8R2.25 C1CNC2CC2N1 D60443 [0,0,0,2,0,0|2,0,0]=4 959 B8R2.25 C1COC2CC2N1 X41370 [0,0,0,2,0,0|1,0,0]=3 960 B8R2.42 C1CC2(C1)CCN2 A8603 [0,0,0,2,0,0|1,0,0]=3 961 B8R2.42 C1CC2(C1)CNC2 A12363 [0,0,0,2,0,0|2,0,0]=4 962 B8R2.42 C1CC2(C1)CNC2 A6059 [0,0,0,2,0,0|2,0,0]=4 963 B8R2.42 C1CC2(CNC2)O1 X29629 [0,0,0,2,0,0|1,0,0]=3 964 B8R2.42 C1CC2(CNC2)O1 X7168 [0,0,0,2,0,0|1,0,0]=3 965 B8R2.42 C1CC2(COC2)N1 O5945 [0,0,0,2,0,0|2,0,0]=4 966 B8R2.19 O=C1CCC12CC2 S22254 [0,0,0,2,0,0|0,0,2]=4 967 B8R2.24 C1CC1NC2CC2 D43434 [0,0,0,2,0,0|2,0,0]=4