0 B6R0.6 BrCCCCCBr SY004544 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.6 BrCCNCCBr SY018108 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 C#CCCCCI SY047667 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.6 C#CCCCCN SY069749 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.6 C#CCCCCO SY020332 [0,0,0,0,0,0|0,0,2]=2 5 B6R0.6 C=CC#CCCO SY297863 [0,0,0,0,0,0|0,0,4]=4 6 B6R0.6 C=CCCCCO SY020861 [0,0,0,0,0,0|0,0,2]=2 7 B6R0.6 C=CCCCON SY281553 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.6 C=CCCCON SY281554 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.6 CCCCCNN SY048085 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.6 CCCCCON SY281671 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.6 CCCCCON SY281672 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.6 CCCCOCCl SY264650 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.6 CCNCCCO SY023800 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.6 CCOCCNN SY048091 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.6 CNCCCCO SY117259 [0,0,0,0,0,0|1,0,0]=1 16 B6R0.6 COCCCCCl SY015495 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.6 COCCCNN SY048087 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.6 COCCCON SY201326 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.6 COCCCON SY281583 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.6 COCCN=[N+]=[N-] SY262046 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.6 COCOCCN SY250694 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.6 C\C=C\CCCO SY066633 [0,0,0,0,0,0|0,0,2]=2 23 B6R0.6 ClCCCCCBr SY048983 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.6 ICCCCCI SY048751 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.6 N#CCCCCCl SY004990 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.6 N#CCCCCN SY040472 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.6 NCCCCCO SY049614 [0,0,0,0,0,0|1,0,0]=1 28 B6R0.6 NCCOCCBr SY261989 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.6 NCCOCCN SY052726 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.6 O=CCCCCCl SY024458 [0,0,0,0,0,0|1,0,2]=3 31 B6R0.6 O=CCCCCO SY047027 [0,0,0,0,0,0|1,0,1]=2 32 B6R0.6 O=CNCCCO SY261924 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.6 OCCCCCCl SY050042 [0,0,0,0,0,0|1,0,0]=1 34 B6R0.6 OCCOCCBr SY145932 [0,0,0,0,0,0|2,0,0]=2 35 B5R0.2 C#CCCCO SY007472 [1,0,0,0,0,0|0,0,2]=3 36 B5R0.2 C#CCCOC SY261977 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.2 C=CCCCCl SY115227 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.2 C=CCCCN SY039810 [1,0,0,0,0,0|1,0,2]=4 39 B5R0.2 CCC#CCBr SY045110 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.2 CCC#CCO SY048461 [1,0,0,0,0,0|0,0,2]=3 41 B5R0.2 CCCCNN SY048097 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.2 CCCCON SY013356 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.2 CCCCON SY019069 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.2 CNCCSC SY020435 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.2 COCCNN SY048076 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.2 ClCCCCI SY049669 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.2 ICCCCI SY037746 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.2 N#CCCCBr SY012834 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 N#CCCCCl SY001790 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.2 NCCCCBr SY113500 [1,0,0,0,0,0|2,0,0]=3 51 B5R0.2 NCCCCN SY004150 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.2 NCCCCO SY001196 [1,0,0,0,0,0|1,0,0]=2 53 B5R0.2 NCCCON SY273643 [1,0,0,0,0,0|3,0,0]=4 54 B5R0.2 NOCCCO SY204344 [1,0,0,0,0,0|2,0,0]=3 55 B5R0.2 NOCCCO SY281570 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.2 OC\C=C\CO SY036452 [1,0,0,0,0,0|1,0,2]=4 57 B7R0.1 C#CCCCCCCl SY220544 [0,1,0,0,0,0|1,0,1]=3 58 B7R0.1 C#CCCCCCO SY021685 [0,1,0,0,0,0|0,0,1]=2 59 B7R0.1 C=CCCCCNC SY047447 [0,1,0,0,0,0|1,0,1]=3 60 B7R0.1 C=CCCCCON SY281584 [0,1,0,0,0,0|0,0,2]=3 61 B7R0.1 C=CCCCCON SY281585 [0,1,0,0,0,0|0,0,2]=3 62 B7R0.1 CCCCCCON SY281668 [0,1,0,0,0,0|0,0,0]=1 63 B7R0.1 CCCCCCON SY281669 [0,1,0,0,0,0|0,0,0]=1 64 B7R0.1 CNCCNCCO SY300938 [0,1,0,0,0,0|1,0,0]=2 65 B7R0.1 COCCOCCBr SY049757 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.1 COCCOCCN SY042959 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.1 COCOCCC#N SY028246 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.1 COCOCCC=O SY027733 [0,1,0,0,0,0|1,0,2]=4 69 B7R0.1 ClCCCCCCBr SY049099 [0,1,0,0,0,0|1,0,0]=2 70 B7R0.1 ClCCCCCCI SY049747 [0,1,0,0,0,0|1,0,0]=2 71 B7R0.1 NCCCCCCO SY003099 [0,1,0,0,0,0|0,0,0]=1 72 B7R0.1 NCCSSCCN SY012856 [0,1,0,0,0,0|3,0,0]=4 73 B7R0.1 NCC[Se][Se]CCN SY120950 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.1 OCCCCCCBr SY017128 [0,1,0,0,0,0|0,0,0]=1 75 B7R0.1 OCCCCCCCl SY001629 [0,1,0,0,0,0|0,0,0]=1 76 B7R0.1 OCCOCCCBr SY250091 [0,1,0,0,0,0|1,0,0]=2 77 B7R0.3 CCC(=O)OCCO SY301488 [0,1,0,0,0,0|1,0,1]=3 78 B7R0.3 CCCCC(=O)NN SY078868 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.3 CCCCC(O)CO SY049796 [0,1,0,0,0,0|0,0,0]=1 80 B7R0.3 CCCCN(C)CC SY311327 [0,1,0,0,0,0|2,0,0]=3 81 B7R0.3 CCCC[C@@H](N)CO SY038512 [0,1,0,0,0,0|0,0,0]=1 82 B7R0.3 CCCC[C@H](N)CO SY038520 [0,1,0,0,0,0|0,0,0]=1 83 B7R0.3 CNC(=O)CCCO SY126228 [0,1,0,0,0,0|1,0,1]=3 84 B7R0.3 COC(=O)CCCBr SY011922 [0,1,0,0,0,0|2,0,1]=4 85 B7R0.3 COC(=O)CCCI SY110660 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.3 COC(=O)CCCN SY058513 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.3 COC(=O)CCCO SY268958 [0,1,0,0,0,0|1,0,1]=3 88 B7R0.3 C[C@@H](CN)CCCO SY267124 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.3 C[C@@H](CN)CCCO SY267125 [0,1,0,0,0,0|1,0,0]=2 90 B7R0.4 C#CCCCC(=O)O SY026710 [0,1,0,0,0,0|0,0,3]=4 91 B7R0.4 C#CCCCN(C)C SY023025 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.4 C=CCCCC(=O)O SY050075 [0,1,0,0,0,0|0,0,3]=4 93 B7R0.4 CC(=O)OCCCCl SY106444 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.4 CC(C)CCCCO SY083602 [0,1,0,0,0,0|0,0,0]=1 95 B7R0.4 CC(C)CCCON SY281839 [0,1,0,0,0,0|2,0,0]=3 96 B7R0.4 CC(C)CCCON SY281840 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.4 CC(O)CSCCO SY269034 [0,1,0,0,0,0|1,0,0]=2 98 B7R0.4 CCCCCC(N)=O SY051726 [0,1,0,0,0,0|0,0,2]=3 99 B7R0.4 CCCCC[N+](=O)[O-] SY266558 [0,1,0,0,0,0|1,0,1]=3 100 B7R0.4 CCCNCC(C)C SY034221 [0,1,0,0,0,0|2,0,0]=3 101 B7R0.4 CCCOCC(=O)O SY025048 [0,1,0,0,0,0|1,0,1]=3 102 B7R0.4 CN(C)CC#CCO SY261847 [0,1,0,0,0,0|1,0,2]=4 103 B7R0.4 CN(C)CCCC#N SY028278 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.4 CNCCCC(=O)O SY032531 [0,1,0,0,0,0|1,0,1]=3 105 B7R0.4 COCCCC(=O)O SY045907 [0,1,0,0,0,0|1,0,1]=3 106 B7R0.4 COCCC[N+](=O)[O-] SY266522 [0,1,0,0,0,0|2,0,1]=4 107 B7R0.4 N#CCCCC(=O)O SY008532 [0,1,0,0,0,0|1,0,2]=4 108 B7R0.4 NC(=O)CCCCBr SY253590 [0,1,0,0,0,0|1,0,2]=4 109 B7R0.4 NC(=O)CCCCCl SY184285 [0,1,0,0,0,0|1,0,2]=4 110 B7R0.4 NCCCCC(=O)O SY002964 [0,1,0,0,0,0|1,0,1]=3 111 B7R0.4 NCCCCC(N)=O SY247757 [0,1,0,0,0,0|1,0,2]=4 112 B7R0.4 O=C(Cl)CCCCF SY270893 [0,1,0,0,0,0|1,0,2]=4 113 B7R0.4 O=C(O)CCCCCl SY051600 [0,1,0,0,0,0|1,0,1]=3 114 B7R0.4 O=C(O)CCCCS SY141369 [0,1,0,0,0,0|1,0,1]=3 115 B7R0.4 O=C(O)COCCCl SY030518 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.4 O=C([O-])CCCCO SY019284 [0,1,0,0,0,0|1,0,1]=3 117 B7R0.4 O=[N+]([O-])CCCCBr SY266567 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.4 O=[N+]([O-])CCCCCl SY266516 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.4 O=[N+]([O-])CCCCO SY235738 [0,1,0,0,0,0|2,0,0]=3 120 B7R0.7 CCCC(=O)OCCl SY018804 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.7 CCCC(Br)CCC SY016752 [0,1,0,0,0,0|1,0,0]=2 122 B7R0.7 CCCC(N)CCC SY024496 [0,1,0,0,0,0|1,0,0]=2 123 B7R0.7 CCC[C@H](N)CCO SY117417 [0,1,0,0,0,0|0,0,0]=1 124 B7R0.7 CCNC(=O)CCCl SY168089 [0,1,0,0,0,0|2,0,1]=4 125 B7R0.7 CCOC(=O)CCBr SY001430 [0,1,0,0,0,0|2,0,1]=4 126 B7R0.7 CCOC(=O)CCI SY031505 [0,1,0,0,0,0|2,0,1]=4 127 B7R0.7 CCOC(=O)CCN SY001761 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.7 CCOC(=O)CCO SY008914 [0,1,0,0,0,0|1,0,1]=3 129 B7R0.7 COCC(O)COC SY021402 [0,1,0,0,0,0|3,0,0]=4 130 B7R0.7 O=C(CCCl)CCCl SY031905 [0,1,0,0,0,0|2,0,1]=4 131 B7R0.7 O=C(CCO)CCCl SY300455 [0,1,0,0,0,0|1,0,1]=3 132 B7R0.7 O=C(CCO)CCO SY239973 [0,1,0,0,0,0|1,0,1]=3 133 B7R0.7 OCCC(O)CCO SY284695 [0,1,0,0,0,0|1,0,0]=2 134 B7R1.1 BrCC1CCOC1 SY042030 [0,0,0,1,0,0|2,0,0]=3 135 B7R1.1 BrCC1OCCO1 SY013531 [0,0,0,1,0,0|2,0,0]=3 136 B7R1.1 C#CC1CCCC1 SY047862 [0,0,0,1,0,0|1,0,1]=3 137 B7R1.1 C#CC1CCCO1 SY284812 [0,0,0,1,0,0|0,0,2]=3 138 B7R1.1 C#CC1CCNC1 SY284818 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.1 CC[C@@H]1CCCN1 SY103107 [0,0,0,1,0,0|1,0,0]=2 140 B7R1.1 CNC1CCOC1 SY048009 [0,0,0,1,0,0|3,0,0]=4 141 B7R1.1 CN[C@@H]1CCOC1 SY268189 [0,0,0,1,0,0|3,0,0]=4 142 B7R1.1 COC1CCNC1 SY043121 [0,0,0,1,0,0|3,0,0]=4 143 B7R1.1 COC1CCNC1 SY097408 [0,0,0,1,0,0|3,0,0]=4 144 B7R1.1 CO[C@@H]1CCNC1 SY042148 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.1 CO[C@@H]1CCNC1 SY056981 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.1 CO[C@H]1CCNC1 SY042488 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.1 ClCC1CCCO1 SY049357 [0,0,0,1,0,0|1,0,0]=2 148 B7R1.1 FCC1CCNC1 SY265543 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.1 FC[C@H]1CCCN1 SY098832 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.1 N#CC1CCCN1 SY026581 [0,0,0,1,0,0|2,0,1]=4 151 B7R1.1 N#CC1CCCO1 SY012529 [0,0,0,1,0,0|1,0,1]=3 152 B7R1.1 N#CC1CCNC1 SY021188 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.1 N#CC1CCOC1 SY042080 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.1 N#C[C@@H]1CCCN1 SY006280 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.1 N#C[C@@H]1CCNC1 SY096996 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.1 N#C[C@H]1CCCN1 SY007468 [0,0,0,1,0,0|2,0,1]=4 157 B7R1.1 NCC1CCCC1 SY013219 [0,0,0,1,0,0|1,0,0]=2 158 B7R1.1 NCC1CCCC1 SY025882 [0,0,0,1,0,0|1,0,0]=2 159 B7R1.1 NCC1CCOC1 SY042027 [0,0,0,1,0,0|2,0,0]=3 160 B7R1.1 NC[C@@H]1CCCO1 SY012535 [0,0,0,1,0,0|1,0,0]=2 161 B7R1.1 NN[C@@H]1CCOC1 SY295255 [0,0,0,1,0,0|3,0,0]=4 162 B7R1.1 O=CC1CCCC1 SY004589 [0,0,0,1,0,0|0,0,2]=3 163 B7R1.1 O=CC1CCCO1 SY024520 [0,0,0,1,0,0|1,0,1]=3 164 B7R1.1 O=CC1CCOC1 SY046752 [0,0,0,1,0,0|1,0,2]=4 165 B7R1.1 O=CN1CCCC1 SY252984 [0,0,0,1,0,0|1,0,2]=4 166 B7R1.1 O=NN1CCCC1 SY115826 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.1 OCC1CC=CC1 SY019811 [0,0,0,1,0,0|0,0,2]=3 168 B7R1.1 OCC1CCCC1 SY006011 [0,0,0,1,0,0|0,0,0]=1 169 B7R1.1 OCC1CCCN1 SY013851 [0,0,0,1,0,0|1,0,0]=2 170 B7R1.1 OCC1CCNC1 SY018506 [0,0,0,1,0,0|1,0,0]=2 171 B7R1.1 OCC1CCNC1 SY021497 [0,0,0,1,0,0|1,0,0]=2 172 B7R1.1 OCC1CCOC1 SY030918 [0,0,0,1,0,0|1,0,0]=2 173 B7R1.1 OC[C@@H]1CCCO1 SY227666 [0,0,0,1,0,0|1,0,0]=2 174 B7R1.1 OC[C@@H]1CCNC1 SY008238 [0,0,0,1,0,0|1,0,0]=2 175 B7R1.1 OC[C@H]1CCCN1 SY013466 [0,0,0,1,0,0|1,0,0]=2 176 B7R1.1 OC[C@H]1CCCO1 SY106537 [0,0,0,1,0,0|1,0,0]=2 177 B7R1.1 OC[C@H]1CCNC1 SY008227 [0,0,0,1,0,0|1,0,0]=2 178 B7R1.3 BrC1=CCCCC1 SY253165 [0,0,0,1,0,0|1,0,2]=4 179 B7R1.3 BrC1CCCOC1 SY005937 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.3 BrC1CCNCC1 SY013399 [0,0,0,1,0,0|2,0,0]=3 181 B7R1.3 BrC1CCOCC1 SY002700 [0,0,0,1,0,0|2,0,0]=3 182 B7R1.3 C=C1CCNCC1 SY022740 [0,0,0,1,0,0|2,0,1]=4 183 B7R1.3 CC1CNCCO1 SY008226 [0,0,0,1,0,0|1,0,0]=2 184 B7R1.3 CC1COCCN1 SY028991 [0,0,0,1,0,0|2,0,0]=3 185 B7R1.3 CN1CCNCC1 SY102030 [0,0,0,1,0,0|3,0,0]=4 186 B7R1.3 CN1CCOCC1 SY262844 [0,0,0,1,0,0|3,0,0]=4 187 B7R1.3 C[C@@H]1CCCNC1 SY069171 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.3 C[C@@H]1CNCCN1 SY004931 [0,0,0,1,0,0|2,0,0]=3 189 B7R1.3 C[C@@H]1CNCCO1 SY021208 [0,0,0,1,0,0|1,0,0]=2 190 B7R1.3 C[C@@H]1CNCCO1 SY032742 [0,0,0,1,0,0|1,0,0]=2 191 B7R1.3 C[C@@H]1COCCN1 SY021211 [0,0,0,1,0,0|2,0,0]=3 192 B7R1.3 C[C@@H]1COCCN1 SY023875 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.3 C[C@H]1CCCNC1 SY115150 [0,0,0,1,0,0|2,0,0]=3 194 B7R1.3 C[C@H]1CCCNC1 SY273114 [0,0,0,1,0,0|2,0,0]=3 195 B7R1.3 C[C@H]1CNCCO1 SY021210 [0,0,0,1,0,0|1,0,0]=2 196 B7R1.3 C[C@H]1CNCCO1 SY043150 [0,0,0,1,0,0|1,0,0]=2 197 B7R1.3 C[C@H]1COCCN1 SY002673 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.3 C[C@H]1COCCN1 SY023874 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.3 ClC1C=CCCC1 SY054691 [0,0,0,1,0,0|1,0,2]=4 200 B7R1.3 ClC1CCNCC1 SY046580 [0,0,0,1,0,0|2,0,0]=3 201 B7R1.3 ClC1CCOCC1 SY051140 [0,0,0,1,0,0|2,0,0]=3 202 B7R1.3 FC1CCCNC1 SY010384 [0,0,0,1,0,0|2,0,0]=3 203 B7R1.3 FC1CCNCC1 SY010389 [0,0,0,1,0,0|2,0,0]=3 204 B7R1.3 FC1CCNCC1 SY020129 [0,0,0,1,0,0|2,0,0]=3 205 B7R1.3 IC1CCOCC1 SY004489 [0,0,0,1,0,0|2,0,0]=3 206 B7R1.3 NC1CCCNC1 SY020460 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.3 NC1CCOCC1 SY013112 [0,0,0,1,0,0|2,0,0]=3 208 B7R1.3 NC1CCSCC1 SY042938 [0,0,0,1,0,0|2,0,0]=3 209 B7R1.3 N[C@@H]1CCCNC1 SY008763 [0,0,0,1,0,0|2,0,0]=3 210 B7R1.3 N[C@@H]1CCCOC1 SY023981 [0,0,0,1,0,0|2,0,0]=3 211 B7R1.3 N[C@H]1CCCNC1 SY009305 [0,0,0,1,0,0|2,0,0]=3 212 B7R1.3 N[C@H]1CCCOC1 SY023980 [0,0,0,1,0,0|2,0,0]=3 213 B7R1.3 O=C1CCCCN1 SY011119 [0,0,0,1,0,0|1,0,2]=4 214 B7R1.3 O=C1CCCCO1 SY018264 [0,0,0,1,0,0|1,0,1]=3 215 B7R1.3 O=C1CCCCS1 SY222230 [0,0,0,1,0,0|1,0,2]=4 216 B7R1.3 O=C1CCCNC1 SY025656 [0,0,0,1,0,0|1,0,2]=4 217 B7R1.3 O=C1CCCOC1 SY003102 [0,0,0,1,0,0|1,0,2]=4 218 B7R1.3 O=C1CCNCC1 SY002027 [0,0,0,1,0,0|1,0,2]=4 219 B7R1.3 O=C1CCNCC1 SY107185 [0,0,0,1,0,0|1,0,2]=4 220 B7R1.3 O=C1CCSCC1 SY007101 [0,0,0,1,0,0|1,0,2]=4 221 B7R1.3 O=C1CNCCO1 SY047308 [0,0,0,1,0,0|2,0,1]=4 222 B7R1.3 O=C1COCCO1 SY055447 [0,0,0,1,0,0|2,0,1]=4 223 B7R1.3 O=C1NCCCO1 SY005699 [0,0,0,1,0,0|2,0,1]=4 224 B7R1.3 OC1CC=CCC1 SY264800 [0,0,0,1,0,0|0,0,2]=3 225 B7R1.3 OC1CCCCO1 SY009592 [0,0,0,1,0,0|1,0,0]=2 226 B7R1.3 OC1CCCNC1 SY002024 [0,0,0,1,0,0|1,0,0]=2 227 B7R1.3 OC1CCCOC1 SY021770 [0,0,0,1,0,0|1,0,0]=2 228 B7R1.3 OC1CCNCC1 SY025543 [0,0,0,1,0,0|1,0,0]=2 229 B7R1.3 OC1CCOCC1 SY002687 [0,0,0,1,0,0|1,0,0]=2 230 B7R1.3 OC1CCSCC1 SY019603 [0,0,0,1,0,0|1,0,0]=2 231 B7R1.3 OC1COCOC1 SY039164 [0,0,0,1,0,0|2,0,0]=3 232 B7R1.3 ON1CCNCC1 SY248545 [0,0,0,1,0,0|2,0,0]=3 233 B7R1.3 O[C@@H]1CCCNC1 SY017793 [0,0,0,1,0,0|1,0,0]=2 234 B7R1.3 O[C@H]1CCCNC1 SY020871 [0,0,0,1,0,0|1,0,0]=2 235 B7R1.4 CC1CCCC1=O SY045483 [0,0,0,1,0,0|0,0,2]=3 236 B7R1.4 CC1CCOC1=O SY051660 [0,0,0,1,0,0|1,0,2]=4 237 B7R1.4 CC1OCCC1=O SY001818 [0,0,0,1,0,0|1,0,2]=4 238 B7R1.4 CC1SCCC1=O SY003998 [0,0,0,1,0,0|1,0,2]=4 239 B7R1.4 C[C@@H]1CNC[C@@H]1O SY124368 [0,0,0,1,0,0|1,0,0]=2 240 B7R1.4 C[C@H]1CCC[C@H]1N SY254157 [0,0,0,1,0,0|1,0,0]=2 241 B7R1.4 F[C@@H]1CNC[C@H]1F SY270347 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.4 F[C@H]1CNC[C@@H]1F SY301499 [0,0,0,1,0,0|3,0,0]=4 243 B7R1.4 F[C@H]1CNC[C@H]1F SY302340 [0,0,0,1,0,0|3,0,0]=4 244 B7R1.4 NC1CCCC1O SY004734 [0,0,0,1,0,0|1,0,0]=2 245 B7R1.4 N[C@@H]1CCC[C@@H]1O SY002754 [0,0,0,1,0,0|1,0,0]=2 246 B7R1.4 N[C@@H]1CCC[C@H]1O SY002755 [0,0,0,1,0,0|1,0,0]=2 247 B7R1.4 N[C@@H]1CCC[C@H]1O SY004738 [0,0,0,1,0,0|1,0,0]=2 248 B7R1.4 N[C@@H]1CCC[C@H]1O SY029613 [0,0,0,1,0,0|1,0,0]=2 249 B7R1.4 N[C@@H]1COC[C@@H]1N SY097056 [0,0,0,1,0,0|3,0,0]=4 250 B7R1.4 N[C@H]1CCC[C@@H]1O SY003862 [0,0,0,1,0,0|1,0,0]=2 251 B7R1.4 N[C@H]1CCC[C@H]1O SY003863 [0,0,0,1,0,0|1,0,0]=2 252 B7R1.4 N[C@H]1COC[C@H]1O SY233968 [0,0,0,1,0,0|2,0,0]=3 253 B7R1.4 O=C1CCCC1F SY200677 [0,0,0,1,0,0|1,0,2]=4 254 B7R1.4 O=C1NCCC1O SY017439 [0,0,0,1,0,0|2,0,1]=4 255 B7R1.4 O=C1NCC[C@@H]1O SY020466 [0,0,0,1,0,0|2,0,1]=4 256 B7R1.4 O=C1OCCC1O SY052569 [0,0,0,1,0,0|2,0,1]=4 257 B7R1.4 O=C1OCC[C@@H]1O SY027538 [0,0,0,1,0,0|2,0,1]=4 258 B7R1.4 OC1CCCC1F SY273252 [0,0,0,1,0,0|1,0,0]=2 259 B7R1.4 OC1CCCC1O SY007557 [0,0,0,1,0,0|1,0,0]=2 260 B7R1.4 OC1COCC1Br SY262931 [0,0,0,1,0,0|2,0,0]=3 261 B7R1.4 O[C@@H]1CCC[C@H]1Cl SY058932 [0,0,0,1,0,0|1,0,0]=2 262 B7R1.4 O[C@@H]1CCC[C@H]1F SY273251 [0,0,0,1,0,0|1,0,0]=2 263 B7R1.4 O[C@@H]1CCC[C@H]1O SY028304 [0,0,0,1,0,0|1,0,0]=2 264 B7R1.4 O[C@@H]1CNC[C@H]1O SY038177 [0,0,0,1,0,0|2,0,0]=3 265 B7R1.4 O[C@H]1CNC[C@@H]1O SY031965 [0,0,0,1,0,0|2,0,0]=3 266 B7R1.4 O[C@H]1CNC[C@H]1O SY097115 [0,0,0,1,0,0|2,0,0]=3 267 B7R1.6 C#CCN1CCC1 SY268125 [0,0,0,1,0,0|2,0,1]=4 268 B7R1.6 CCOC1CNC1 SY198400 [0,0,0,1,0,0|3,0,0]=4 269 B7R1.6 CNCC1COC1 SY113244 [0,0,0,1,0,0|3,0,0]=4 270 B7R1.6 COCC1CCN1 SY122024 [0,0,0,1,0,0|2,0,0]=3 271 B7R1.6 COCC1CNC1 SY060329 [0,0,0,1,0,0|3,0,0]=4 272 B7R1.6 ICCC1COC1 SY249454 [0,0,0,1,0,0|2,0,0]=3 273 B7R1.6 NCCC1CNC1 SY263737 [0,0,0,1,0,0|2,0,0]=3 274 B7R1.6 NCCN1CCC1 SY099362 [0,0,0,1,0,0|2,0,0]=3 275 B7R1.6 NOCC1CCC1 SY216380 [0,0,0,1,0,0|2,0,0]=3 276 B7R1.6 NOCC1CCC1 SY281574 [0,0,0,1,0,0|2,0,0]=3 277 B7R1.6 O=CCC1CCC1 SY025254 [0,0,0,1,0,0|0,0,2]=3 278 B7R1.6 OCCC1CCO1 SY099736 [0,0,0,1,0,0|1,0,0]=2 279 B7R1.6 OCCC1COC1 SY097532 [0,0,0,1,0,0|1,0,0]=2 280 B7R1.7 BrCC#CC1CC1 SY028194 [0,0,0,1,0,0|1,0,2]=4 281 B7R1.7 CCCCC1CO1 SY049832 [0,0,0,1,0,0|0,0,0]=1 282 B7R1.7 OCC#CC1CC1 SY028195 [0,0,0,1,0,0|0,0,2]=3 283 B7R1.8 CN1CC[C@H]1CN SY284568 [0,0,0,1,0,0|2,0,0]=3 284 B7R1.9 COC1CC1C=O SY277013 [0,0,0,1,0,0|1,0,2]=4 285 B7R1.24 C1CNCCOC1 SY002594 [0,0,0,1,0,0|1,0,0]=2 286 B7R1.24 C1CNCCOC1 SY023485 [0,0,0,1,0,0|1,0,0]=2 287 B4R0.2 BrCCCI SY288042 [2,0,0,0,0,0|2,0,0]=4 288 B4R0.2 CCCNN SY048075 [2,0,0,0,0,0|2,0,0]=4 289 B4R0.2 CCCON SY096737 [2,0,0,0,0,0|2,0,0]=4 290 B4R0.2 CNCCBr SY044997 [2,0,0,0,0,0|2,0,0]=4 291 B4R0.2 CNCCF SY122542 [2,0,0,0,0,0|2,0,0]=4 292 B4R0.2 CNCCN SY023647 [2,0,0,0,0,0|2,0,0]=4 293 B4R0.2 COCCI SY248715 [2,0,0,0,0,0|2,0,0]=4 294 B4R0.2 ClCCCI SY031611 [2,0,0,0,0,0|2,0,0]=4 295 B4R0.2 FCCCI SY025148 [2,0,0,0,0,0|2,0,0]=4 296 B4R0.2 ICCCI SY045006 [2,0,0,0,0,0|2,0,0]=4 297 B4R0.2 N#CCCO SY005485 [2,0,0,0,0,0|1,0,1]=4 298 B4R0.2 NCCCBr SY008325 [2,0,0,0,0,0|2,0,0]=4 299 B4R0.2 NCCCCl SY001694 [2,0,0,0,0,0|2,0,0]=4 300 B4R0.2 NCCCI SY154270 [2,0,0,0,0,0|2,0,0]=4 301 B4R0.2 NOCCO SY007135 [2,0,0,0,0,0|2,0,0]=4 302 B4R0.2 OCCCBr SY001898 [2,0,0,0,0,0|1,0,0]=3 303 B4R0.2 OCCCF SY033053 [2,0,0,0,0,0|1,0,0]=3 304 B4R0.2 OCCCI SY016401 [2,0,0,0,0,0|1,0,0]=3 305 B6R0.1 C=CC(O)CCC SY048915 [1,1,0,0,0,0|0,0,2]=4 306 B6R0.1 CCC(=O)COC SY190908 [1,1,0,0,0,0|1,0,1]=4 307 B6R0.1 CCCC(C)CN SY271841 [1,1,0,0,0,0|1,0,0]=3 308 B6R0.1 CCCC(O)CO SY032914 [1,1,0,0,0,0|0,0,0]=2 309 B6R0.1 CCC[C@@H](N)CF SY045881 [1,1,0,0,0,0|1,0,0]=3 310 B6R0.1 CCC[C@@H](N)CO SY038521 [1,1,0,0,0,0|0,0,0]=2 311 B6R0.1 CCC[C@H](N)CF SY045882 [1,1,0,0,0,0|1,0,0]=3 312 B6R0.1 CCC[C@H](N)CO SY017944 [1,1,0,0,0,0|0,0,0]=2 313 B6R0.1 CCOC(=O)CO SY002762 [1,1,0,0,0,0|1,0,1]=4 314 B6R0.1 CNC(=O)CCO SY083761 [1,1,0,0,0,0|1,0,1]=4 315 B6R0.1 CNC[C@@H](O)CO SY294795 [1,1,0,0,0,0|1,0,0]=3 316 B6R0.1 COC(=O)CCO SY008913 [1,1,0,0,0,0|1,0,1]=4 317 B6R0.1 COC[C@@H](O)CN SY236677 [1,1,0,0,0,0|2,0,0]=4 318 B6R0.1 COC[C@H](O)CN SY199877 [1,1,0,0,0,0|2,0,0]=4 319 B6R0.1 NCCC(O)CO SY260308 [1,1,0,0,0,0|1,0,0]=3 320 B6R0.1 OCCC(O)CO SY003295 [1,1,0,0,0,0|1,0,0]=3 321 B6R0.1 OCC[C@H](O)CO SY274042 [1,1,0,0,0,0|1,0,0]=3 322 B6R0.1 O[C@@H](CBr)CCBr SY301486 [1,1,0,0,0,0|2,0,0]=4 323 B6R0.4 C=CCC[C@H](C)O SY307699 [1,1,0,0,0,0|0,0,2]=4 324 B6R0.4 CC(=O)CCCO SY002852 [1,1,0,0,0,0|0,0,1]=3 325 B6R0.4 CC(C)CCCO SY016761 [1,1,0,0,0,0|0,0,0]=2 326 B6R0.4 CC(C)CCNN SY048082 [1,1,0,0,0,0|2,0,0]=4 327 B6R0.4 CC(C)CCON SY045359 [1,1,0,0,0,0|2,0,0]=4 328 B6R0.4 CC(C)CCON SY281670 [1,1,0,0,0,0|2,0,0]=4 329 B6R0.4 CC(C)NCCCl SY028925 [1,1,0,0,0,0|2,0,0]=4 330 B6R0.4 CC(C)OCCBr SY031858 [1,1,0,0,0,0|2,0,0]=4 331 B6R0.4 CC(Cl)CCCO SY207412 [1,1,0,0,0,0|0,0,0]=2 332 B6R0.4 CC(O)CCCO SY239899 [1,1,0,0,0,0|0,0,0]=2 333 B6R0.4 CCCCB(O)O SY012742 [1,1,0,0,0,0|1,0,0]=3 334 B6R0.4 CCCCC(=N)N SY020380 [1,1,0,0,0,0|1,0,1]=4 335 B6R0.4 CCCCC(=N)N SY020382 [1,1,0,0,0,0|1,0,1]=4 336 B6R0.4 CN(C)CCCBr SY016763 [1,1,0,0,0,0|2,0,0]=4 337 B6R0.4 CN(C)CCCCl SY006370 [1,1,0,0,0,0|2,0,0]=4 338 B6R0.4 CN(C)CCCCl SY021395 [1,1,0,0,0,0|2,0,0]=4 339 B6R0.4 CN(C)CCCI SY247760 [1,1,0,0,0,0|2,0,0]=4 340 B6R0.4 CN(C)CCCI SY247768 [1,1,0,0,0,0|2,0,0]=4 341 B6R0.4 CNCCC(=O)O SY005345 [1,1,0,0,0,0|1,0,1]=4 342 B6R0.4 CNCCC(=O)O SY112486 [1,1,0,0,0,0|1,0,1]=4 343 B6R0.4 COCCC(=O)O SY028921 [1,1,0,0,0,0|1,0,1]=4 344 B6R0.4 O=C(O)CCCBr SY001501 [1,1,0,0,0,0|1,0,1]=4 345 B6R0.4 O=[N+]([O-])CCCO SY211657 [1,1,0,0,0,0|2,0,0]=4 346 B8R0.1 C#CCCC(=O)CCO SY106323 [0,2,0,0,0,0|0,0,2]=4 347 B8R0.1 CCOC(=O)CCCI SY014641 [0,2,0,0,0,0|1,0,1]=4 348 B8R0.1 CCOC(=O)CCCN SY015028 [0,2,0,0,0,0|1,0,1]=4 349 B8R0.1 CCOC(=O)CCCO SY263197 [0,2,0,0,0,0|0,0,1]=3 350 B8R0.4 BrCC#CCCCCBr SY265118 [0,2,0,0,0,0|1,0,1]=4 351 B8R0.4 BrCCCCCCCBr SY050897 [0,2,0,0,0,0|1,0,0]=3 352 B8R0.4 C#CCCCCCCO SY051403 [0,2,0,0,0,0|0,0,0]=2 353 B8R0.4 C=CCCCCCCBr SY032409 [0,2,0,0,0,0|1,0,0]=3 354 B8R0.4 C=CCCCCCON SY281734 [0,2,0,0,0,0|0,0,1]=3 355 B8R0.4 C=CCCCCCON SY281735 [0,2,0,0,0,0|0,0,1]=3 356 B8R0.4 CCCCCCCON SY281820 [0,2,0,0,0,0|0,0,0]=2 357 B8R0.4 CCCCCCCON SY281821 [0,2,0,0,0,0|0,0,0]=2 358 B8R0.4 CCCCOCCC#N SY016496 [0,2,0,0,0,0|1,0,0]=3 359 B8R0.4 CCOCCNCCN SY301811 [0,2,0,0,0,0|1,0,0]=3 360 B8R0.4 COCCCCCCBr SY040480 [0,2,0,0,0,0|0,0,0]=2 361 B8R0.4 COCCOCCON SY281837 [0,2,0,0,0,0|1,0,0]=3 362 B8R0.4 COCCOCCON SY281838 [0,2,0,0,0,0|1,0,0]=3 363 B8R0.4 ClCCCCCCCCl SY055886 [0,2,0,0,0,0|1,0,0]=3 364 B8R0.4 ClCCCOCCCCl SY116045 [0,2,0,0,0,0|1,0,0]=3 365 B8R0.4 OCCCCCCCBr SY019463 [0,2,0,0,0,0|0,0,0]=2 366 B8R0.4 OCCCCCCCO SY010789 [0,2,0,0,0,0|0,0,0]=2 367 B8R0.4 OCCCOCCCO SY116704 [0,2,0,0,0,0|0,0,0]=2 368 B8R0.6 C#C[C@@H](O)CCCCC SY029413 [0,2,0,0,0,0|0,0,0]=2 369 B8R0.6 CCNCCC(=O)OC SY019881 [0,2,0,0,0,0|1,0,1]=4 370 B8R0.6 COC(=O)CCCCBr SY013898 [0,2,0,0,0,0|1,0,1]=4 371 B8R0.6 COC(=O)CCCCN SY117564 [0,2,0,0,0,0|1,0,1]=4 372 B8R0.6 COCCCC(=O)OC SY096667 [0,2,0,0,0,0|1,0,1]=4 373 B8R0.6 N#CC(O)CCCCO SY028469 [0,2,0,0,0,0|0,0,1]=3 374 B8R0.7 C#CCCCCC(=O)O SY021705 [0,2,0,0,0,0|0,0,2]=4 375 B8R0.7 CC(=O)OCCCCBr SY048653 [0,2,0,0,0,0|1,0,1]=4 376 B8R0.7 CC(=O)OCCCCO SY294143 [0,2,0,0,0,0|0,0,1]=3 377 B8R0.7 CC(=O)SCCCCN SY290150 [0,2,0,0,0,0|1,0,1]=4 378 B8R0.7 CC(C)NCCCCO SY054140 [0,2,0,0,0,0|0,0,0]=2 379 B8R0.7 CCCCCCB(O)O SY017961 [0,2,0,0,0,0|0,0,0]=2 380 B8R0.7 CCCCCC[C@@H](C)O SY038272 [0,2,0,0,0,0|0,0,0]=2 381 B8R0.7 CCCCCC[N+](=O)[O-] SY266557 [0,2,0,0,0,0|0,0,1]=3 382 B8R0.7 CCCCOCC(=O)O SY002472 [0,2,0,0,0,0|0,0,1]=3 383 B8R0.7 CCNCCCN(C)C SY023941 [0,2,0,0,0,0|2,0,0]=4 384 B8R0.7 CN(C)CCCCC#N SY041202 [0,2,0,0,0,0|1,0,1]=4 385 B8R0.7 CN(C)CCCCCN SY040702 [0,2,0,0,0,0|1,0,0]=3 386 B8R0.7 CN(C)CCNCCO SY270833 [0,2,0,0,0,0|1,0,0]=3 387 B8R0.7 COCCCC[N+](=O)[O-] SY266559 [0,2,0,0,0,0|1,0,1]=4 388 B8R0.7 COCCOCC(=O)O SY035294 [0,2,0,0,0,0|1,0,1]=4 389 B8R0.7 NC(=O)CCCCCBr SY103908 [0,2,0,0,0,0|0,0,2]=4 390 B8R0.7 NC(=O)CCCCCO SY247977 [0,2,0,0,0,0|0,0,1]=3 391 B8R0.7 NCCCCCC(=O)O SY003109 [0,2,0,0,0,0|0,0,1]=3 392 B8R0.7 NCCCCCC(N)=O SY247974 [0,2,0,0,0,0|0,0,2]=4 393 B8R0.7 NCCCCOC(F)F SY272229 [0,2,0,0,0,0|2,0,0]=4 394 B8R0.7 O=C(O)CCCCCCl SY053214 [0,2,0,0,0,0|0,0,1]=3 395 B8R0.7 O=C(O)CCCCCO SY032043 [0,2,0,0,0,0|0,0,1]=3 396 B8R0.7 O=C(O)CCOCCBr SY273001 [0,2,0,0,0,0|1,0,1]=4 397 B8R0.7 O=C(O)CCOCCO SY293391 [0,2,0,0,0,0|1,0,1]=4 398 B8R0.7 O=C([O-])CCCCCO SY121174 [0,2,0,0,0,0|0,0,1]=3 399 B8R0.7 O=[N+]([O-])CCCCCBr SY266569 [0,2,0,0,0,0|1,0,1]=4 400 B8R0.7 O=[N+]([O-])CCCCCCl SY266512 [0,2,0,0,0,0|1,0,1]=4 401 B8R0.7 O=[N+]([O-])CCCCCO SY266588 [0,2,0,0,0,0|1,0,0]=3 402 B8R0.3 CCOC(=O)C(N)CO SY035107 [0,2,0,0,0,0|1,0,1]=4 403 B8R0.3 CCOC(=O)[C@@H](N)CO SY016021 [0,2,0,0,0,0|1,0,1]=4 404 B8R0.3 CCOC(=O)[C@H](N)CO SY030352 [0,2,0,0,0,0|1,0,1]=4 405 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO SY067421 [0,2,0,0,0,0|1,0,1]=4 406 B8R0.3 O=CC[C@H](O)[C@H](O)CO SY023057 [0,2,0,0,0,0|1,0,1]=4 407 B8R0.8 CCCCC(N)C(=O)O SY038236 [0,2,0,0,0,0|0,0,1]=3 408 B8R0.8 CCCC[C@@H](N)C(=O)O SY062052 [0,2,0,0,0,0|0,0,1]=3 409 B8R0.8 CCCC[C@H](N)C(=O)O SY036145 [0,2,0,0,0,0|0,0,1]=3 410 B8R0.8 CSCC[C@@H](N)C(=O)O SY004418 [0,2,0,0,0,0|1,0,1]=4 411 B8R0.8 NCCCC(N)C(=O)O SY005810 [0,2,0,0,0,0|1,0,1]=4 412 B8R0.8 NCCC[C@@H](N)C(=O)O SY007936 [0,2,0,0,0,0|1,0,1]=4 413 B8R0.8 NCCC[C@H](N)C(=O)O SY005520 [0,2,0,0,0,0|1,0,1]=4 414 B8R0.8 NCCC[C@H](N)C(=O)O SY066991 [0,2,0,0,0,0|1,0,1]=4 415 B8R0.8 N[C@@H](CCCO)C(=O)O SY269711 [0,2,0,0,0,0|1,0,1]=4 416 B8R0.9 CCC(=O)CCC(=O)O SY270773 [0,2,0,0,0,0|0,0,2]=4 417 B8R0.9 CCC(Cl)CCC(=O)Cl SY027792 [0,2,0,0,0,0|0,0,2]=4 418 B8R0.11 CCN(CC)CCCCl SY041969 [0,2,0,0,0,0|2,0,0]=4 419 B8R0.11 CCN(CC)CCCO SY051543 [0,2,0,0,0,0|1,0,0]=3 420 B8R0.11 COC(CCCBr)OC SY059218 [0,2,0,0,0,0|2,0,0]=4 421 B8R0.19 COC(=O)C[C@H](O)CO SY018663 [0,2,0,0,0,0|1,0,1]=4 422 B8R0.5 CCOC(=O)C[C@@H](C)O SY017544 [0,2,0,0,0,0|1,0,1]=4 423 B8R0.21 CCCCCS(=O)(=O)[O-] SY013397 [0,2,0,0,0,0|1,0,1]=4 424 B8R0.21 COCCCS(=O)(=O)O SY011651 [0,2,0,0,0,0|2,0,0]=4 425 B8R0.28 CC(=O)CCCC(=O)O SY015106 [0,2,0,0,0,0|0,0,2]=4 426 B8R0.28 CC(C)CCCC(C)N SY264522 [0,2,0,0,0,0|1,0,0]=3 427 B8R0.28 CC(C)CCC[N+](=O)[O-] SY266599 [0,2,0,0,0,0|1,0,1]=4 428 B8R0.28 CN(C)CCCC(=O)O SY058453 [0,2,0,0,0,0|1,0,1]=4 429 B8R0.22 CCCC(C#N)CCC SY059783 [0,2,0,0,0,0|1,0,0]=3 430 B8R0.22 CCCC(CC)CNN SY048093 [0,2,0,0,0,0|2,0,0]=4 431 B8R0.30 O=S(=O)(CCO)CCO SY025639 [0,2,0,0,0,0|2,0,0]=4 432 B6R1.1 C1CCNNC1 SY028291 [1,0,0,1,0,0|2,0,0]=4 433 B6R1.1 C1CCONC1 SY105413 [1,0,0,1,0,0|1,0,0]=3 434 B6R1.1 C1COCCN1 SY059143 [1,0,0,1,0,0|1,0,0]=3 435 B6R1.1 C1CSCCN1 SY033134 [1,0,0,1,0,0|1,1,0]=4 436 B6R1.1 C1CSCSC1 SY014110 [1,0,0,1,0,0|1,1,0]=4 437 B6R1.2 CC1=NCCC1 SY015490 [1,0,0,1,0,0|1,0,1]=4 438 B6R1.2 CC1CCCN1 SY042657 [1,0,0,1,0,0|1,0,0]=3 439 B6R1.2 CN1CCNC1 SY251230 [1,0,0,1,0,0|2,0,0]=4 440 B6R1.2 C[C@@H]1CCCN1 SY019809 [1,0,0,1,0,0|1,0,0]=3 441 B6R1.2 C[C@@H]1CCNC1 SY097390 [1,0,0,1,0,0|1,0,0]=3 442 B6R1.2 C[C@H]1CCCN1 SY019821 [1,0,0,1,0,0|1,0,0]=3 443 B6R1.2 C[C@H]1CCNC1 SY097402 [1,0,0,1,0,0|1,0,0]=3 444 B6R1.2 C[S+]1CCCC1 SY251130 [1,0,0,1,0,0|1,0,0]=3 445 B6R1.2 ClC1CCOC1 SY185690 [1,0,0,1,0,0|2,0,0]=4 446 B6R1.2 Cl[C@@H]1CCNC1 SY281534 [1,0,0,1,0,0|2,0,0]=4 447 B6R1.2 FC1CCNC1 SY032538 [1,0,0,1,0,0|2,0,0]=4 448 B6R1.2 F[C@@H]1CCNC1 SY008511 [1,0,0,1,0,0|2,0,0]=4 449 B6R1.2 F[C@H]1CCNC1 SY008512 [1,0,0,1,0,0|2,0,0]=4 450 B6R1.2 IC1CCCC1 SY019127 [1,0,0,1,0,0|1,0,0]=3 451 B6R1.2 IC1CCOC1 SY042009 [1,0,0,1,0,0|2,0,0]=4 452 B6R1.2 NC1CCNC1 SY005919 [1,0,0,1,0,0|2,0,0]=4 453 B6R1.2 NC1CCOC1 SY003277 [1,0,0,1,0,0|2,0,0]=4 454 B6R1.2 NC1CCOC1 SY042059 [1,0,0,1,0,0|2,0,0]=4 455 B6R1.2 N[C@@H]1CCOC1 SY020665 [1,0,0,1,0,0|2,0,0]=4 456 B6R1.2 N[C@@H]1CCOC1 SY024464 [1,0,0,1,0,0|2,0,0]=4 457 B6R1.2 N[C@H]1CCNC1 SY057131 [1,0,0,1,0,0|2,0,0]=4 458 B6R1.2 N[C@H]1CCOC1 SY020664 [1,0,0,1,0,0|2,0,0]=4 459 B6R1.2 N[C@H]1CCOC1 SY024406 [1,0,0,1,0,0|2,0,0]=4 460 B6R1.2 OC1CC=CC1 SY007884 [1,0,0,1,0,0|0,0,2]=4 461 B6R1.2 OC1CCCO1 SY016132 [1,0,0,1,0,0|1,0,0]=3 462 B6R1.2 OC1CCNC1 SY001203 [1,0,0,1,0,0|1,0,0]=3 463 B6R1.2 OC1CCNC1 SY003143 [1,0,0,1,0,0|1,0,0]=3 464 B6R1.2 OC1CCOC1 SY003288 [1,0,0,1,0,0|1,0,0]=3 465 B6R1.2 OC1CCSC1 SY185762 [1,0,0,1,0,0|1,0,0]=3 466 B6R1.2 O[C@@H]1CCNC1 SY003191 [1,0,0,1,0,0|1,0,0]=3 467 B6R1.2 O[C@@H]1CCNC1 SY018523 [1,0,0,1,0,0|1,0,0]=3 468 B6R1.2 O[C@@H]1CCOC1 SY016904 [1,0,0,1,0,0|1,0,0]=3 469 B6R1.2 O[C@@H]1CNOC1 SY021787 [1,0,0,1,0,0|2,0,0]=4 470 B6R1.2 O[C@H]1CCNC1 SY003190 [1,0,0,1,0,0|1,0,0]=3 471 B6R1.2 O[C@H]1CCNC1 SY007382 [1,0,0,1,0,0|1,0,0]=3 472 B6R1.2 O[C@H]1CCOC1 SY003096 [1,0,0,1,0,0|1,0,0]=3 473 B6R1.2 O[C@H]1CNOC1 SY021785 [1,0,0,1,0,0|2,0,0]=4 474 B6R1.3 BrCCC1CC1 SY023093 [1,0,0,1,0,0|1,0,0]=3 475 B6R1.3 BrCCC1CO1 SY021183 [1,0,0,1,0,0|1,0,0]=3 476 B6R1.3 CCNC1CC1 SY027577 [1,0,0,1,0,0|1,0,0]=3 477 B6R1.3 CCNC1CC1 SY027695 [1,0,0,1,0,0|1,0,0]=3 478 B6R1.3 CNCC1CC1 SY029533 [1,0,0,1,0,0|1,0,0]=3 479 B6R1.3 CNCC1CC1 SY029534 [1,0,0,1,0,0|1,0,0]=3 480 B6R1.3 N#CCC1CC1 SY058947 [1,0,0,1,0,0|1,0,1]=4 481 B6R1.3 NCCC1CC1 SY042128 [1,0,0,1,0,0|1,0,0]=3 482 B6R1.3 NNCC1CC1 SY013383 [1,0,0,1,0,0|2,0,0]=4 483 B6R1.3 NNCC1CC1 SY042147 [1,0,0,1,0,0|2,0,0]=4 484 B6R1.3 NOCC1CC1 SY101356 [1,0,0,1,0,0|2,0,0]=4 485 B6R1.3 OCCC1CC1 SY041938 [1,0,0,1,0,0|0,0,0]=2 486 B6R1.4 CC1CCC1O SY161762 [1,0,0,1,0,0|0,0,0]=2 487 B6R1.4 C[C@@H]1NC[C@@H]1F SY310794 [1,0,0,1,0,0|2,0,0]=4 488 B6R1.4 C[C@@H]1NC[C@H]1F SY310804 [1,0,0,1,0,0|2,0,0]=4 489 B6R1.4 C[C@@H]1NC[C@H]1O SY310807 [1,0,0,1,0,0|1,0,0]=3 490 B6R1.4 OC1CCC1O SY301012 [1,0,0,1,0,0|1,0,0]=3 491 B6R1.6 BrCC1CNC1 SY267476 [1,0,0,1,0,0|2,0,0]=4 492 B6R1.6 BrCC1COC1 SY059797 [1,0,0,1,0,0|2,0,0]=4 493 B6R1.6 C#CC1CCO1 SY284813 [1,0,0,1,0,0|0,0,2]=4 494 B6R1.6 CNC1COC1 SY047195 [1,0,0,1,0,0|2,0,0]=4 495 B6R1.6 COC1CNC1 SY021482 [1,0,0,1,0,0|2,0,0]=4 496 B6R1.6 FCC1CNC1 SY127600 [1,0,0,1,0,0|2,0,0]=4 497 B6R1.6 ICC1CCC1 SY073415 [1,0,0,1,0,0|1,0,0]=3 498 B6R1.6 NCC1CCC1 SY035875 [1,0,0,1,0,0|1,0,0]=3 499 B6R1.6 NCC1CCO1 SY035857 [1,0,0,1,0,0|1,0,0]=3 500 B6R1.6 NCC1COC1 SY025447 [1,0,0,1,0,0|2,0,0]=4 501 B6R1.6 NCC1COC1 SY098725 [1,0,0,1,0,0|2,0,0]=4 502 B6R1.6 NC[C@@H]1CCO1 SY250609 [1,0,0,1,0,0|1,0,0]=3 503 B6R1.6 NC[C@H]1CCO1 SY262606 [1,0,0,1,0,0|1,0,0]=3 504 B6R1.6 O=CC1CCC1 SY019700 [1,0,0,1,0,0|0,0,2]=4 505 B6R1.6 OCC1CCO1 SY042053 [1,0,0,1,0,0|1,0,0]=3 506 B6R1.6 OCC1CNC1 SY024106 [1,0,0,1,0,0|1,0,0]=3 507 B6R1.6 OCC1COC1 SY009472 [1,0,0,1,0,0|1,0,0]=3 508 B6R1.6 OC[C@@H]1CCO1 SY270417 [1,0,0,1,0,0|1,0,0]=3 509 B6R1.6 ON=C1CCC1 SY185260 [1,0,0,1,0,0|1,0,1]=4 510 B8R1.2 BrCC1CCCNC1 SY029332 [0,1,0,1,0,0|1,0,0]=3 511 B8R1.2 BrCC1CCNCC1 SY007097 [0,1,0,1,0,0|1,0,0]=3 512 B8R1.2 BrCC1CCNCC1 SY029312 [0,1,0,1,0,0|1,0,0]=3 513 B8R1.2 BrCC1CCOCC1 SY002686 [0,1,0,1,0,0|1,0,0]=3 514 B8R1.2 BrC[C@@H]1COCCO1 SY274810 [0,1,0,1,0,0|1,0,0]=3 515 B8R1.2 C#CC1CCCOC1 SY259701 [0,1,0,1,0,0|0,0,2]=4 516 B8R1.2 C#CC1CCNCC1 SY097779 [0,1,0,1,0,0|1,0,1]=4 517 B8R1.2 C#CC1CCOCC1 SY097241 [0,1,0,1,0,0|1,0,1]=4 518 B8R1.2 C#CC1CNCCO1 SY284821 [0,1,0,1,0,0|0,0,2]=4 519 B8R1.2 CNC1CCNCC1 SY016945 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.2 CNC1CCNCC1 SY016946 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.2 CNC1CCOCC1 SY013416 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.2 CNC1CCOCC1 SY016841 [0,1,0,1,0,0|2,0,0]=4 523 B8R1.2 COC1CCCNC1 SY041935 [0,1,0,1,0,0|1,0,0]=3 524 B8R1.2 COC1CCCNC1 SY104362 [0,1,0,1,0,0|1,0,0]=3 525 B8R1.2 COC1CCNCC1 SY003146 [0,1,0,1,0,0|1,0,0]=3 526 B8R1.2 COC1CCNCC1 SY020458 [0,1,0,1,0,0|1,0,0]=3 527 B8R1.2 CO[C@H]1CCCNC1 SY098191 [0,1,0,1,0,0|1,0,0]=3 528 B8R1.2 ClCC1CCNCC1 SY029313 [0,1,0,1,0,0|1,0,0]=3 529 B8R1.2 ICC1CCCCC1 SY027725 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.2 ICC1CCNCC1 SY029333 [0,1,0,1,0,0|1,0,0]=3 531 B8R1.2 ICC1CCOCC1 SY041962 [0,1,0,1,0,0|1,0,0]=3 532 B8R1.2 N#CC1CCCNC1 SY004324 [0,1,0,1,0,0|1,0,1]=4 533 B8R1.2 N#CC1CCNCC1 SY002496 [0,1,0,1,0,0|1,0,1]=4 534 B8R1.2 N#CC1CCOCC1 SY021355 [0,1,0,1,0,0|1,0,1]=4 535 B8R1.2 N#CC1CCSCC1 SY019840 [0,1,0,1,0,0|1,0,1]=4 536 B8R1.2 N#CC1CNCCO1 SY114773 [0,1,0,1,0,0|1,0,1]=4 537 B8R1.2 NCC1CCCCC1 SY001137 [0,1,0,1,0,0|1,0,0]=3 538 B8R1.2 NCC1CCCCO1 SY003242 [0,1,0,1,0,0|0,0,0]=2 539 B8R1.2 NCC1CCCOC1 SY020076 [0,1,0,1,0,0|1,0,0]=3 540 B8R1.2 NCC1CCOCC1 SY001214 [0,1,0,1,0,0|1,0,0]=3 541 B8R1.2 NCC1CNCCO1 SY005409 [0,1,0,1,0,0|1,0,0]=3 542 B8R1.2 NCC1COCCO1 SY035253 [0,1,0,1,0,0|1,0,0]=3 543 B8R1.2 NC[C@@H]1COCCO1 SY044998 [0,1,0,1,0,0|1,0,0]=3 544 B8R1.2 NC[C@H]1COCCO1 SY035251 [0,1,0,1,0,0|1,0,0]=3 545 B8R1.2 NNC1CCOCC1 SY010716 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.2 NNC1CCOCC1 SY023220 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.2 NOC1CCCCO1 SY004632 [0,1,0,1,0,0|1,0,0]=3 548 B8R1.2 O=CC1CCCCN1 SY239012 [0,1,0,1,0,0|0,0,2]=4 549 B8R1.2 O=CC1CCSCC1 SY014498 [0,1,0,1,0,0|0,0,2]=4 550 B8R1.2 O=CC1COCCO1 SY277014 [0,1,0,1,0,0|1,0,1]=4 551 B8R1.2 OCC1CC=CCC1 SY036929 [0,1,0,1,0,0|0,0,1]=3 552 B8R1.2 OCC1CCC=CO1 SY051074 [0,1,0,1,0,0|0,0,2]=4 553 B8R1.2 OCC1CCCCC1 SY002783 [0,1,0,1,0,0|0,0,0]=2 554 B8R1.2 OCC1CCCCN1 SY009271 [0,1,0,1,0,0|0,0,0]=2 555 B8R1.2 OCC1CCCCO1 SY003220 [0,1,0,1,0,0|0,0,0]=2 556 B8R1.2 OCC1CCOCC1 SY002701 [0,1,0,1,0,0|0,0,0]=2 557 B8R1.2 OCC1CCSCC1 SY019602 [0,1,0,1,0,0|0,0,0]=2 558 B8R1.2 OCC1CNCCO1 SY107412 [0,1,0,1,0,0|1,0,0]=3 559 B8R1.2 OCC1COCCN1 SY003798 [0,1,0,1,0,0|1,0,0]=3 560 B8R1.2 OCC1COCCO1 SY019310 [0,1,0,1,0,0|1,0,0]=3 561 B8R1.2 OC[C@@H]1CCCCN1 SY105311 [0,1,0,1,0,0|0,0,0]=2 562 B8R1.2 OC[C@@H]1CCCNC1 SY067329 [0,1,0,1,0,0|0,0,0]=2 563 B8R1.2 OC[C@@H]1CCCNC1 SY068903 [0,1,0,1,0,0|0,0,0]=2 564 B8R1.2 OC[C@@H]1CNCCO1 SY029745 [0,1,0,1,0,0|1,0,0]=3 565 B8R1.2 OC[C@@H]1CNCCO1 SY129054 [0,1,0,1,0,0|1,0,0]=3 566 B8R1.2 OC[C@@H]1COCCN1 SY022551 [0,1,0,1,0,0|1,0,0]=3 567 B8R1.2 OC[C@@H]1COCCN1 SY029258 [0,1,0,1,0,0|1,0,0]=3 568 B8R1.2 OC[C@@H]1COCCO1 SY033160 [0,1,0,1,0,0|1,0,0]=3 569 B8R1.2 OC[C@H]1CCC=CO1 SY257768 [0,1,0,1,0,0|0,0,2]=4 570 B8R1.2 OC[C@H]1CCCNC1 SY027077 [0,1,0,1,0,0|0,0,0]=2 571 B8R1.2 OC[C@H]1CCCNC1 SY069039 [0,1,0,1,0,0|0,0,0]=2 572 B8R1.2 OC[C@H]1CNCCO1 SY024785 [0,1,0,1,0,0|1,0,0]=3 573 B8R1.2 OC[C@H]1CNCCO1 SY102185 [0,1,0,1,0,0|1,0,0]=3 574 B8R1.2 OC[C@H]1COCCN1 SY024782 [0,1,0,1,0,0|1,0,0]=3 575 B8R1.2 OC[C@H]1COCCO1 SY033161 [0,1,0,1,0,0|1,0,0]=3 576 B8R1.2 ON=C1CCCCC1 SY011165 [0,1,0,1,0,0|0,0,1]=3 577 B8R1.2 [C-]#[N+]C1CCOCC1 SY263033 [0,1,0,1,0,0|2,0,0]=4 578 B8R1.5 CC1CCCCC1N SY001916 [0,1,0,1,0,0|1,0,0]=3 579 B8R1.5 CC1CNCCN1C SY016183 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.5 CC1COCCC1=O SY023092 [0,1,0,1,0,0|0,0,2]=4 581 B8R1.5 CC1OCCNC1=O SY032980 [0,1,0,1,0,0|1,0,1]=4 582 B8R1.5 C[C@@H]1CCCC[C@@H]1N SY037542 [0,1,0,1,0,0|1,0,0]=3 583 B8R1.5 C[C@@H]1CNCCN1C SY033048 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.5 C[C@@H]1NCCN[C@@H]1C SY274005 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.5 C[C@@H]1NCCN[C@H]1C SY275439 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.5 C[C@H]1CCCC[C@H]1N SY037541 [0,1,0,1,0,0|1,0,0]=3 587 B8R1.5 C[C@H]1CNCCN1C SY023797 [0,1,0,1,0,0|2,0,0]=4 588 B8R1.5 N[C@@H]1CCCC[C@@H]1O SY046252 [0,1,0,1,0,0|0,0,0]=2 589 B8R1.5 N[C@@H]1CCCC[C@H]1N SY001269 [0,1,0,1,0,0|1,0,0]=3 590 B8R1.5 N[C@@H]1CCCC[C@H]1N SY076505 [0,1,0,1,0,0|1,0,0]=3 591 B8R1.5 N[C@@H]1CCCC[C@H]1O SY026108 [0,1,0,1,0,0|0,0,0]=2 592 B8R1.5 N[C@@H]1CCCC[C@H]1O SY026111 [0,1,0,1,0,0|0,0,0]=2 593 B8R1.5 N[C@@H]1CCCC[C@H]1O SY026112 [0,1,0,1,0,0|0,0,0]=2 594 B8R1.5 N[C@@H]1CCCC[C@H]1O SY127907 [0,1,0,1,0,0|0,0,0]=2 595 B8R1.5 N[C@@H]1CCOC[C@H]1F SY099041 [0,1,0,1,0,0|2,0,0]=4 596 B8R1.5 N[C@@H]1CCOC[C@H]1O SY259261 [0,1,0,1,0,0|1,0,0]=3 597 B8R1.5 N[C@@H]1COCC[C@H]1O SY044939 [0,1,0,1,0,0|1,0,0]=3 598 B8R1.5 N[C@H]1CCCC[C@@H]1N SY004140 [0,1,0,1,0,0|1,0,0]=3 599 B8R1.5 N[C@H]1CCCC[C@@H]1O SY026110 [0,1,0,1,0,0|0,0,0]=2 600 B8R1.5 N[C@H]1CCCC[C@@H]1O SY026117 [0,1,0,1,0,0|0,0,0]=2 601 B8R1.5 N[C@H]1CCCC[C@H]1O SY014948 [0,1,0,1,0,0|0,0,0]=2 602 B8R1.5 N[C@H]1CCOC[C@@H]1O SY241084 [0,1,0,1,0,0|1,0,0]=3 603 B8R1.5 O=C1CCCCC1Cl SY038921 [0,1,0,1,0,0|0,0,2]=4 604 B8R1.5 O=C1NCCCC1O SY110845 [0,1,0,1,0,0|1,0,1]=4 605 B8R1.5 OC1CCOCC1F SY099042 [0,1,0,1,0,0|1,0,0]=3 606 B8R1.5 O[C@@H]1CCCC[C@H]1O SY019731 [0,1,0,1,0,0|0,0,0]=2 607 B8R1.5 O[C@@H]1CCCC[C@H]1S SY268159 [0,1,0,1,0,0|0,0,0]=2 608 B8R1.5 O[C@@H]1CCNC[C@H]1F SY043299 [0,1,0,1,0,0|1,0,0]=3 609 B8R1.5 O[C@@H]1CNCC[C@H]1F SY038539 [0,1,0,1,0,0|1,0,0]=3 610 B8R1.5 O[C@@H]1CNNC[C@H]1O SY263540 [0,1,0,1,0,0|2,0,0]=4 611 B8R1.5 O[C@@H]1CSSC[C@H]1O SY274619 [0,1,0,1,0,0|2,0,0]=4 612 B8R1.8 BrCCN1CCCC1 SY040483 [0,1,0,1,0,0|1,0,0]=3 613 B8R1.8 C#CCN1CCCC1 SY102558 [0,1,0,1,0,0|1,0,1]=4 614 B8R1.8 C#CCN1CCCC1 SY146717 [0,1,0,1,0,0|1,0,1]=4 615 B8R1.8 CCO[C@@H]1CCNC1 SY011689 [0,1,0,1,0,0|2,0,0]=4 616 B8R1.8 CCO[C@H]1CCNC1 SY108177 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.8 CNCC1CCNC1 SY294056 [0,1,0,1,0,0|2,0,0]=4 618 B8R1.8 COCC1CCCN1 SY122813 [0,1,0,1,0,0|1,0,0]=3 619 B8R1.8 COC[C@H]1CCCN1 SY013140 [0,1,0,1,0,0|1,0,0]=3 620 B8R1.8 ClCCC1CCCC1 SY036243 [0,1,0,1,0,0|1,0,0]=3 621 B8R1.8 ClCCN1CCCC1 SY013128 [0,1,0,1,0,0|1,0,0]=3 622 B8R1.8 N#CCN1CCCC1 SY017301 [0,1,0,1,0,0|1,0,1]=4 623 B8R1.8 NCCC1OCCO1 SY052592 [0,1,0,1,0,0|1,0,0]=3 624 B8R1.8 O=CCN1CCCC1 SY263315 [0,1,0,1,0,0|0,0,2]=4 625 B8R1.8 OCCC1CCCC1 SY032290 [0,1,0,1,0,0|0,0,0]=2 626 B8R1.11 C#CC1CCCC1O SY007474 [0,1,0,1,0,0|0,0,1]=3 627 B8R1.11 C#CC1CCCN1C SY277506 [0,1,0,1,0,0|1,0,1]=4 628 B8R1.11 C#C[C@@H]1CCC[C@@H]1O SY224509 [0,1,0,1,0,0|0,0,1]=3 629 B8R1.11 C#C[C@@H]1CCC[C@H]1O SY122583 [0,1,0,1,0,0|0,0,1]=3 630 B8R1.11 CN1CCCC1CN SY065143 [0,1,0,1,0,0|1,0,0]=3 631 B8R1.11 CN1CCC[C@@H]1CO SY023398 [0,1,0,1,0,0|0,0,0]=2 632 B8R1.11 CN1CCC[C@H]1CO SY004710 [0,1,0,1,0,0|0,0,0]=2 633 B8R1.11 CO[C@@H]1CNC[C@@H]1F SY124372 [0,1,0,1,0,0|2,0,0]=4 634 B8R1.11 NC1CCCC1CO SY284162 [0,1,0,1,0,0|0,0,0]=2 635 B8R1.11 NCC1CCCC1=O SY158694 [0,1,0,1,0,0|0,0,2]=4 636 B8R1.11 NCC1CCCC1N SY043206 [0,1,0,1,0,0|1,0,0]=3 637 B8R1.11 NCC1CCCC1O SY188444 [0,1,0,1,0,0|0,0,0]=2 638 B8R1.11 OC[C@@H]1CNC[C@H]1O SY277380 [0,1,0,1,0,0|1,0,0]=3 639 B8R1.11 OC[C@@H]1CNC[C@H]1O SY277519 [0,1,0,1,0,0|1,0,0]=3 640 B8R1.11 OC[C@@H]1CNC[C@H]1O SY277520 [0,1,0,1,0,0|1,0,0]=3 641 B8R1.22 CC1CCNCCN1 SY033449 [0,1,0,1,0,0|1,0,0]=3 642 B8R1.22 CC1CNCCCO1 SY124393 [0,1,0,1,0,0|0,0,0]=2 643 B8R1.22 CN1CCCNCC1 SY002818 [0,1,0,1,0,0|2,0,0]=4 644 B8R1.22 FC1CNCCNC1 SY264756 [0,1,0,1,0,0|2,0,0]=4 645 B8R1.22 N[C@H]1CCCNCC1 SY280406 [0,1,0,1,0,0|1,0,0]=3 646 B8R1.22 O=C1CCCCNC1 SY040205 [0,1,0,1,0,0|0,0,2]=4 647 B8R1.22 O=C1CCCNCC1 SY017922 [0,1,0,1,0,0|0,0,2]=4 648 B8R1.22 O=C1CCCOCC1 SY036485 [0,1,0,1,0,0|0,0,1]=3 649 B8R1.22 O=C1CCOCCN1 SY029460 [0,1,0,1,0,0|1,0,1]=4 650 B8R1.22 OC1CCCOCC1 SY036492 [0,1,0,1,0,0|0,0,0]=2 651 B8R1.36 C#CCOCC1CO1 SY051004 [0,1,0,1,0,0|0,0,2]=4 652 B8R1.36 ClCCOCC1CO1 SY284587 [0,1,0,1,0,0|1,0,0]=3 653 B8R1.36 OCCNCC1CC1 SY033845 [0,1,0,1,0,0|0,0,0]=2 654 B8R1.49 C1=CCCCCCC1 SY010202 [0,1,0,1,0,0|1,0,0]=3 655 B8R1.49 C1CNCCCNC1 SY300849 [0,1,0,1,0,0|1,0,0]=3 656 B8R1.49 C1CNCCCNC1 SY307739 [0,1,0,1,0,0|1,0,0]=3 657 B8R1.1 CCC1CCC(=O)O1 SY015382 [0,1,0,1,0,0|0,0,1]=3 658 B8R1.1 CCN1CCC(O)C1 SY036930 [0,1,0,1,0,0|1,0,0]=3 659 B8R1.1 CN1CCC(CCl)C1 SY026835 [0,1,0,1,0,0|2,0,0]=4 660 B8R1.1 CN1CCC(CO)C1 SY023473 [0,1,0,1,0,0|1,0,0]=3 661 B8R1.1 CN1CC[C@@H](CO)C1 SY259236 [0,1,0,1,0,0|1,0,0]=3 662 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 SY252911 [0,1,0,1,0,0|1,0,0]=3 663 B8R1.1 NC[C@@H]1CC[C@H](O)C1 SY252910 [0,1,0,1,0,0|1,0,0]=3 664 B8R1.1 NN1CCC(CO)C1 SY308387 [0,1,0,1,0,0|1,0,0]=3 665 B8R1.1 O=C1CC(CO)CN1 SY008749 [0,1,0,1,0,0|1,0,1]=4 666 B8R1.1 O=C1CCC(CBr)O1 SY250804 [0,1,0,1,0,0|1,0,1]=4 667 B8R1.1 O=C1CCC(CO)N1 SY059670 [0,1,0,1,0,0|1,0,1]=4 668 B8R1.1 O=C1CC[C@@H](CO)N1 SY004165 [0,1,0,1,0,0|1,0,1]=4 669 B8R1.1 O=C1CC[C@@H](CO)O1 SY010497 [0,1,0,1,0,0|1,0,1]=4 670 B8R1.1 O=C1CC[C@H](CO)N1 SY004164 [0,1,0,1,0,0|1,0,1]=4 671 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 SY069048 [0,1,0,1,0,0|1,0,0]=3 672 B8R1.3 CC1CNC(=O)CO1 SY032981 [0,1,0,1,0,0|1,0,1]=4 673 B8R1.3 CC1CNC(C)CN1 SY002107 [0,1,0,1,0,0|2,0,0]=4 674 B8R1.3 CN1CCC(Br)CC1 SY033799 [0,1,0,1,0,0|2,0,0]=4 675 B8R1.3 CN1CCC(F)CC1 SY275512 [0,1,0,1,0,0|2,0,0]=4 676 B8R1.3 C[C@H]1CC[C@@H](N)CC1 SY235531 [0,1,0,1,0,0|1,0,0]=3 677 B8R1.3 C[C@H]1CC[C@H](N)CC1 SY022606 [0,1,0,1,0,0|1,0,0]=3 678 B8R1.3 C[C@H]1CC[C@H](N)CC1 SY025288 [0,1,0,1,0,0|1,0,0]=3 679 B8R1.3 C[C@H]1CC[C@H](O)CC1 SY043391 [0,1,0,1,0,0|0,0,0]=2 680 B8R1.3 C[C@H]1CO[C@@H](C)CN1 SY039550 [0,1,0,1,0,0|1,0,0]=3 681 B8R1.3 NC1CCC(=O)CC1 SY017243 [0,1,0,1,0,0|0,0,2]=4 682 B8R1.3 NC1CCC(N)CC1 SY112211 [0,1,0,1,0,0|1,0,0]=3 683 B8R1.3 NC1CCC(O)CC1 SY021212 [0,1,0,1,0,0|0,0,0]=2 684 B8R1.3 N[C@H]1CC[C@@H](O)CC1 SY016229 [0,1,0,1,0,0|0,0,0]=2 685 B8R1.3 N[C@H]1CC[C@@H](O)CC1 SY020495 [0,1,0,1,0,0|0,0,0]=2 686 B8R1.3 N[C@H]1CC[C@H](O)CC1 SY004216 [0,1,0,1,0,0|0,0,0]=2 687 B8R1.3 O=C1CCC(Br)CC1 SY275581 [0,1,0,1,0,0|0,0,2]=4 688 B8R1.3 O=C1CCC(O)CC1 SY005938 [0,1,0,1,0,0|0,0,1]=3 689 B8R1.3 O=C1CCC(O)CN1 SY034611 [0,1,0,1,0,0|1,0,1]=4 690 B8R1.3 O=C1CC[C@H](O)CN1 SY107535 [0,1,0,1,0,0|1,0,1]=4 691 B8R1.3 OC1CCC(O)CC1 SY001809 [0,1,0,1,0,0|0,0,0]=2 692 B8R1.3 OC1COC(O)CO1 SY014400 [0,1,0,1,0,0|2,0,0]=4 693 B8R1.3 OC1CSC(O)CS1 SY003519 [0,1,0,1,0,0|2,0,0]=4 694 B8R1.3 O[C@H]1CC[C@H](O)CC1 SY040970 [0,1,0,1,0,0|0,0,0]=2 695 B8R1.47 C#C[C@H]1C[C@@H](CO)C1 SY296377 [0,1,0,1,0,0|0,0,2]=4 696 B8R1.47 C#C[C@H]1C[C@H](CO)C1 SY296376 [0,1,0,1,0,0|0,0,2]=4 697 B8R1.50 CN1C(=O)CCC1O SY040014 [0,1,0,1,0,0|1,0,1]=4 698 B8R1.52 CC1(CBr)OCCO1 SY002392 [0,1,0,1,0,0|2,0,0]=4 699 B8R1.52 CC1(CN)CCOC1 SY042173 [0,1,0,1,0,0|2,0,0]=4 700 B8R1.52 CC1(CN)OCCO1 SY059032 [0,1,0,1,0,0|2,0,0]=4 701 B8R1.52 CC1(CO)CCNC1 SY072280 [0,1,0,1,0,0|1,0,0]=3 702 B8R1.52 CC1(CO)CCOC1 SY149881 [0,1,0,1,0,0|1,0,0]=3 703 B8R1.52 CCC1(O)CCCC1 SY052912 [0,1,0,1,0,0|1,0,0]=3 704 B8R1.52 CC[N+]1(C)CCCC1 SY047227 [0,1,0,1,0,0|2,0,0]=4 705 B8R1.52 COC1(C)OCCO1 SY235413 [0,1,0,1,0,0|2,0,0]=4 706 B8R1.52 NC1(CO)CCCC1 SY002988 [0,1,0,1,0,0|0,0,0]=2 707 B8R1.52 NC1(CO)CCNC1 SY036023 [0,1,0,1,0,0|1,0,0]=3 708 B8R1.4 CC1CC(O)CCO1 SY023229 [0,1,0,1,0,0|0,0,0]=2 709 B8R1.4 CC1CCCC(=O)N1 SY033090 [0,1,0,1,0,0|0,0,2]=4 710 B8R1.4 CC1CCCC(=O)O1 SY048899 [0,1,0,1,0,0|0,0,1]=3 711 B8R1.4 CC1CNCC(O)C1 SY208218 [0,1,0,1,0,0|1,0,0]=3 712 B8R1.4 CC1COCC(C)N1 SY022781 [0,1,0,1,0,0|2,0,0]=4 713 B8R1.4 CN1CCCC(Br)C1 SY007127 [0,1,0,1,0,0|2,0,0]=4 714 B8R1.4 CN1CCCC(N)C1 SY022779 [0,1,0,1,0,0|2,0,0]=4 715 B8R1.4 CN1CCCC(O)C1 SY224914 [0,1,0,1,0,0|1,0,0]=3 716 B8R1.4 CN1CCC[C@@H](N)C1 SY035248 [0,1,0,1,0,0|2,0,0]=4 717 B8R1.4 CN1CCC[C@H](N)C1 SY035249 [0,1,0,1,0,0|2,0,0]=4 718 B8R1.4 C[C@@H]1CC(=O)CCN1 SY259242 [0,1,0,1,0,0|1,0,1]=4 719 B8R1.4 C[C@@H]1CN(C)CCN1 SY253626 [0,1,0,1,0,0|2,0,0]=4 720 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 SY002764 [0,1,0,1,0,0|2,0,0]=4 721 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 SY014272 [0,1,0,1,0,0|1,0,0]=3 722 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 SY044731 [0,1,0,1,0,0|1,0,0]=3 723 B8R1.4 C[C@@H]1CNC[C@H](C)C1 SY023084 [0,1,0,1,0,0|2,0,0]=4 724 B8R1.4 C[C@@H]1COC[C@@H](C)N1 SY240361 [0,1,0,1,0,0|2,0,0]=4 725 B8R1.4 C[C@H]1CC(=O)CCN1 SY234011 [0,1,0,1,0,0|1,0,1]=4 726 B8R1.4 C[C@H]1CCCC(=O)C1 SY290780 [0,1,0,1,0,0|0,0,2]=4 727 B8R1.4 C[C@H]1CN(C)CCN1 SY102190 [0,1,0,1,0,0|2,0,0]=4 728 B8R1.4 C[C@H]1CNC[C@@H](C)O1 SY003478 [0,1,0,1,0,0|1,0,0]=3 729 B8R1.4 C[C@H]1CNC[C@H](C)O1 SY025495 [0,1,0,1,0,0|1,0,0]=3 730 B8R1.4 C[C@H]1COC[C@@H](C)N1 SY039555 [0,1,0,1,0,0|2,0,0]=4 731 B8R1.4 C[C@H]1COC[C@@H](C)N1 SY097636 [0,1,0,1,0,0|2,0,0]=4 732 B8R1.4 C[C@H]1COC[C@H](C)N1 SY039541 [0,1,0,1,0,0|2,0,0]=4 733 B8R1.4 C[C@H]1COC[C@H](C)N1 SY240351 [0,1,0,1,0,0|2,0,0]=4 734 B8R1.4 NC1CCCC(N)C1 SY288495 [0,1,0,1,0,0|1,0,0]=3 735 B8R1.4 NC1CCCC(O)C1 SY027772 [0,1,0,1,0,0|0,0,0]=2 736 B8R1.4 NC1CNCC(O)C1 SY272543 [0,1,0,1,0,0|1,0,0]=3 737 B8R1.4 N[C@H]1CCC[C@@H](N)C1 SY033397 [0,1,0,1,0,0|1,0,0]=3 738 B8R1.4 N[C@H]1CCC[C@@H](N)C1 SY111796 [0,1,0,1,0,0|1,0,0]=3 739 B8R1.4 O=C1CC(O)CCN1 SY029027 [0,1,0,1,0,0|1,0,1]=4 740 B8R1.4 O=C1C[C@H](O)CCN1 SY238615 [0,1,0,1,0,0|1,0,1]=4 741 B8R1.6 NCCN1CC(F)C1 SY233159 [0,1,0,1,0,0|2,0,0]=4 742 B8R1.6 NCCN1CC(O)C1 SY233158 [0,1,0,1,0,0|2,0,0]=4 743 B8R1.7 CC(=O)C1CCCC1 SY035519 [0,1,0,1,0,0|0,0,2]=4 744 B8R1.7 CC(C)[C@@H]1CCCN1 SY099556 [0,1,0,1,0,0|1,0,0]=3 745 B8R1.7 FC(F)C1CCCN1 SY039463 [0,1,0,1,0,0|2,0,0]=4 746 B8R1.7 NC(=O)C1CCCO1 SY012530 [0,1,0,1,0,0|1,0,1]=4 747 B8R1.7 NC(=S)C1CCCC1 SY175580 [0,1,0,1,0,0|0,1,1]=4 748 B8R1.7 O=C(Cl)C1CCCO1 SY084361 [0,1,0,1,0,0|1,0,1]=4 749 B8R1.7 O=C(O)C1CCCN1 SY006205 [0,1,0,1,0,0|1,0,1]=4 750 B8R1.7 O=C(O)C1CCNC1 SY008997 [0,1,0,1,0,0|1,0,1]=4 751 B8R1.7 O=C(O)C1CCOC1 SY031543 [0,1,0,1,0,0|1,0,1]=4 752 B8R1.7 O=C(O)[C@@H]1CCCN1 SY001305 [0,1,0,1,0,0|1,0,1]=4 753 B8R1.7 O=C(O)[C@@H]1CCCO1 SY016392 [0,1,0,1,0,0|1,0,1]=4 754 B8R1.7 O=C(O)[C@@H]1CCNC1 SY010178 [0,1,0,1,0,0|1,0,1]=4 755 B8R1.7 O=C(O)[C@@H]1CCOC1 SY016391 [0,1,0,1,0,0|1,0,1]=4 756 B8R1.7 O=C(O)[C@H]1CCCN1 SY001352 [0,1,0,1,0,0|1,0,1]=4 757 B8R1.7 O=C(O)[C@H]1CCNC1 SY010177 [0,1,0,1,0,0|1,0,1]=4 758 B8R1.7 O=C(O)[C@H]1CCOC1 SY016390 [0,1,0,1,0,0|1,0,1]=4 759 B8R1.7 OB(O)C1CCCC1 SY023521 [0,1,0,1,0,0|1,0,0]=3 760 B8R1.7 OB(O)C1CCOC1 SY238202 [0,1,0,1,0,0|2,0,0]=4 761 B8R1.7 OC(=S)[C@@H]1CCCO1 SY299828 [0,1,0,1,0,0|1,0,1]=4 762 B8R1.19 CC1(C)CCCC1Br SY167402 [0,1,0,1,0,0|1,0,0]=3 763 B8R1.19 CC1(C)CNC[C@H]1O SY284254 [0,1,0,1,0,0|1,0,0]=3 764 B8R1.19 NC1CCCC1(F)F SY047796 [0,1,0,1,0,0|2,0,0]=4 765 B8R1.19 OC1CNCC1(F)F SY233893 [0,1,0,1,0,0|2,0,0]=4 766 B8R1.34 FC(F)CC1CNC1 SY274928 [0,1,0,1,0,0|2,0,0]=4 767 B8R1.34 O=C(O)CC1CCC1 SY011888 [0,1,0,1,0,0|0,0,1]=3 768 B8R1.34 O=C(O)CC1COC1 SY025445 [0,1,0,1,0,0|1,0,1]=4 769 B8R1.35 CC(C)CNC1CC1 SY027578 [0,1,0,1,0,0|2,0,0]=4 770 B8R1.35 CC(C)CNC1CC1 SY027696 [0,1,0,1,0,0|2,0,0]=4 771 B8R1.35 O=C(O)CCC1CC1 SY042777 [0,1,0,1,0,0|0,0,1]=3 772 B8R1.35 O=[N+]([O-])CCC1CC1 SY266551 [0,1,0,1,0,0|1,0,1]=4 773 B8R1.48 OCC1CCC1(F)F SY098181 [0,1,0,1,0,0|1,0,0]=3 774 B8R1.72 CC1(Br)CCOCC1 SY232990 [0,1,0,1,0,0|2,0,0]=4 775 B8R1.72 CC1(C)CCNCC1 SY023190 [0,1,0,1,0,0|2,0,0]=4 776 B8R1.72 CC1(C)CCNCC1 SY025578 [0,1,0,1,0,0|2,0,0]=4 777 B8R1.72 CC1(C)CNCCN1 SY022639 [0,1,0,1,0,0|2,0,0]=4 778 B8R1.72 CC1(C)CNCCO1 SY005344 [0,1,0,1,0,0|1,0,0]=3 779 B8R1.72 CC1(C)CNCCO1 SY097274 [0,1,0,1,0,0|1,0,0]=3 780 B8R1.72 CC1(C)COCCN1 SY024354 [0,1,0,1,0,0|2,0,0]=4 781 B8R1.72 CC1(F)CCNCC1 SY038544 [0,1,0,1,0,0|2,0,0]=4 782 B8R1.72 CC1(N)CCNCC1 SY108162 [0,1,0,1,0,0|2,0,0]=4 783 B8R1.72 CC1(N)CCOCC1 SY025330 [0,1,0,1,0,0|2,0,0]=4 784 B8R1.72 CC1(O)CCCNC1 SY245913 [0,1,0,1,0,0|1,0,0]=3 785 B8R1.72 CC1(O)CCNCC1 SY008477 [0,1,0,1,0,0|1,0,0]=3 786 B8R1.72 CC1(O)CCNCC1 SY024786 [0,1,0,1,0,0|1,0,0]=3 787 B8R1.72 CC1(O)CCOCC1 SY110761 [0,1,0,1,0,0|1,0,0]=3 788 B8R1.72 C[C@]1(O)CCCNC1 SY294261 [0,1,0,1,0,0|1,0,0]=3 789 B8R1.72 Cl[Si]1(Cl)CCCCC1 SY265417 [0,1,0,1,0,0|1,1,0]=4 790 B8R1.72 FC1(F)CCCNC1 SY027548 [0,1,0,1,0,0|2,0,0]=4 791 B8R1.72 FC1(F)CCNCC1 SY011557 [0,1,0,1,0,0|2,0,0]=4 792 B8R1.72 FC1(F)CCNCC1 SY011558 [0,1,0,1,0,0|2,0,0]=4 793 B8R1.72 FC1(F)CNCCO1 SY253099 [0,1,0,1,0,0|2,0,0]=4 794 B8R1.72 O=S1(=O)CCCCO1 SY006382 [0,1,0,1,0,0|2,0,0]=4 795 B8R1.66 N#CCC1(O)CCC1 SY129261 [0,1,0,1,0,0|1,0,1]=4 796 B8R1.66 OCCC1(O)CCC1 SY208467 [0,1,0,1,0,0|0,0,0]=2 797 B8R2.11 BrC1C2COCC12 SY292987 [0,0,0,2,0,0|2,0,0]=4 798 B8R2.11 OC1C2CNCC12 SY253261 [0,0,0,2,0,0|1,0,0]=3 799 B8R2.11 OC1C2CNCC12 SY284496 [0,0,0,2,0,0|1,0,0]=3 800 B8R2.11 OC1C2COCC12 SY292988 [0,0,0,2,0,0|1,0,0]=3 801 B8R2.11 [C@H]12COC[C@H]1[C@@H]2N SY097361 [0,0,0,2,0,0|2,0,0]=4 802 B8R2.34 C1CC2CC1CN2 SY097467 [0,0,0,2,0,0|1,0,0]=3 803 B8R2.34 C1CC2CCC1N2 SY020142 [0,0,0,2,0,0|1,0,0]=3 804 B8R2.34 C1OC2CNC1C2 SY039544 [0,0,0,2,0,0|1,0,0]=3 805 B8R2.34 C1OC2CNC1C2 SY042104 [0,0,0,2,0,0|1,0,0]=3 806 B8R2.34 C1O[C@@H]2CN[C@H]1C2 SY020085 [0,0,0,2,0,0|1,0,0]=3 807 B8R2.34 C1O[C@H]2CN[C@@H]1C2 SY027151 [0,0,0,2,0,0|1,0,0]=3 808 B8R2.34 [C@@H]12CC[C@@H](CN1)C2 SY270533 [0,0,0,2,0,0|1,0,0]=3 809 B8R2.55 C1CC2(CC2)CN1 SY042290 [0,0,0,2,0,0|2,0,0]=4 810 B8R2.55 C1CCC2(C1)CO2 SY197069 [0,0,0,2,0,0|0,0,0]=2 811 B8R2.18 CN1CC2CC2C1 SY275513 [0,0,0,2,0,0|2,0,0]=4 812 B8R2.23 C1NCC2CC1C2 SY233831 [0,0,0,2,0,0|2,0,0]=4 813 B8R2.25 C1CC2OC2CO1 SY098970 [0,0,0,2,0,0|1,0,0]=3 814 B8R2.25 C1CNC2CC2C1 SY211945 [0,0,0,2,0,0|1,0,0]=3 815 B8R2.25 C1COC2CC2N1 SY116535 [0,0,0,2,0,0|1,0,0]=3 816 B8R2.38 [C@@H]12CC[C@@H](O)[C@@H]1C2 SY274832 [0,0,0,2,0,0|0,0,0]=2 817 B8R2.42 C1CC2(C1)CNC2 SY035871 [0,0,0,2,0,0|2,0,0]=4 818 B8R2.42 C1CC2(C1)CNC2 SY118878 [0,0,0,2,0,0|2,0,0]=4 819 B8R2.42 C1CC2(CNC2)O1 SY131088 [0,0,0,2,0,0|1,0,0]=3 820 B8R2.24 C1CC1NC2CC2 SY025776 [0,0,0,2,0,0|2,0,0]=4