0 B6R0.6 BrCCCCCBr SY004544 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.6 BrCCNCCBr SY018108 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.6 C#CCCCCI SY047667 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C#CCCCCN SY069749 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 C#CCCCCO SY020332 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.6 C=CC#CCCO SY297863 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.6 C=CCCCCO SY020861 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.6 C=CCNCC=C SY039174 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.6 CCCCCNN SY048085 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.6 CCCCCON SY281671 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.6 CCCCCON SY281672 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.6 CCCCOCCl SY264650 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.6 CCNCCCO SY023800 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.6 CNCCCCO SY117259 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.6 COCCCCCl SY015495 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.6 COCOCCN SY250694 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.6 C\C=C\CCCO SY066633 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.6 ClCCCCCBr SY048983 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.6 ICCCCCI SY048751 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.6 N#CCCCCCl SY004990 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.6 N#CCCCCN SY040472 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.6 N#CCNCC#N SY049317 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.6 NCCCCCO SY049614 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.6 NCCOCCBr SY261989 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.6 NCCOCCN SY052726 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.6 O=CCCCCCl SY024458 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.6 O=CCCCCO SY047027 [0,0,0,0,0,0|1,0,2]=3 27 B6R0.6 O=CNCCCO SY261924 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.6 OCCCCCCl SY050042 [0,0,0,0,0,0|2,0,0]=2 29 B6R0.6 OCCOCCBr SY145932 [0,0,0,0,0,0|2,0,0]=2 30 B5R0.2 C#CCCCO SY007472 [1,0,0,0,0,0|1,0,1]=3 31 B5R0.2 C=CCCCCl SY115227 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.2 C=CCCCN SY039810 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.2 CCC#CCBr SY045110 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.2 CCC#CCO SY048461 [1,0,0,0,0,0|1,0,1]=3 35 B5R0.2 CCCCNN SY048097 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.2 CCCCON SY013356 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.2 CCCCON SY019069 [1,0,0,0,0,0|3,0,0]=4 38 B5R0.2 ClCCCCI SY049669 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.2 ICCCCI SY037746 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.2 N#CCCCBr SY012834 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.2 N#CCCCCl SY001790 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.2 NCCCCBr SY113500 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.2 NCCCCN SY004150 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.2 NCCCCO SY001196 [1,0,0,0,0,0|1,0,0]=2 45 B5R0.2 NCCCON SY273643 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.2 NOCCCO SY204344 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.2 NOCCCO SY281570 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.2 OC\C=C\CO SY036452 [1,0,0,0,0,0|0,0,2]=3 49 B7R0.1 C#CCCCCCCl SY220544 [0,1,0,0,0,0|3,0,0]=4 50 B7R0.1 C#CCCCCCO SY021685 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.1 C=CCCCCON SY281584 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.1 C=CCCCCON SY281585 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.1 CCCCCCON SY281668 [0,1,0,0,0,0|2,0,0]=3 54 B7R0.1 CCCCCCON SY281669 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.1 CNCCNCCO SY300938 [0,1,0,0,0,0|1,0,0]=2 56 B7R0.1 COCCOCCBr SY049757 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.1 COCCOCCN SY042959 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.1 ClCCCCCCBr SY049099 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.1 ClCCCCCCI SY049747 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.1 NCCCCCCO SY003099 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.1 NCCSSCCN SY012856 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.1 NCC[Se][Se]CCN SY120950 [0,1,0,0,0,0|3,0,0]=4 63 B7R0.1 OCCCCCCBr SY017128 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.1 OCCCCCCCl SY001629 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.1 OCCOCCCBr SY250091 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.3 CCC(=O)OCCO SY301488 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.3 CCCCC(O)CO SY049796 [0,1,0,0,0,0|2,0,0]=3 68 B7R0.3 CCCC[C@@H](N)CO SY038512 [0,1,0,0,0,0|2,0,0]=3 69 B7R0.3 CCCC[C@H](N)CO SY038520 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.3 C[C@@H](CN)CCCO SY267124 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.3 C[C@@H](CN)CCCO SY267125 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.4 CC(C)CCCCO SY083602 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.4 CC(O)CSCCO SY269034 [0,1,0,0,0,0|1,0,0]=2 74 B7R0.4 CCCNCC(C)C SY034221 [0,1,0,0,0,0|2,0,0]=3 75 B7R0.4 CCCOCC(=O)O SY025048 [0,1,0,0,0,0|2,0,1]=4 76 B7R0.4 NCCCCC(=O)O SY002964 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.4 O=C(O)CCCCCl SY051600 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.4 O=C(O)CCCCS SY141369 [0,1,0,0,0,0|1,1,1]=4 79 B7R0.4 O=C(O)COCCCl SY030518 [0,1,0,0,0,0|2,0,1]=4 80 B7R0.4 O=C([O-])CCCCO SY019284 [0,1,0,0,0,0|1,0,2]=4 81 B7R0.4 O=[N+]([O-])CCCCO SY235738 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.7 CCCC(Br)CCC SY016752 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.7 CCCC(N)CCC SY024496 [0,1,0,0,0,0|3,0,0]=4 84 B7R0.7 CCC[C@H](N)CCO SY117417 [0,1,0,0,0,0|2,0,0]=3 85 B7R0.7 CCOC(=O)CCO SY008914 [0,1,0,0,0,0|3,0,0]=4 86 B7R0.7 O=C(CCCl)CCCl SY031905 [0,1,0,0,0,0|3,0,0]=4 87 B7R0.7 O=C(CCO)CCCl SY300455 [0,1,0,0,0,0|2,0,0]=3 88 B7R0.7 O=C(CCO)CCO SY239973 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.7 OCCC(O)CCO SY284695 [0,1,0,0,0,0|1,0,0]=2 90 B7R1.1 BrCC1OCCO1 SY013531 [0,0,0,1,0,0|2,0,0]=3 91 B7R1.1 C#CC1CCCO1 SY284812 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.1 CC[C@@H]1CCCN1 SY103107 [0,0,0,1,0,0|2,0,0]=3 93 B7R1.1 ClCC1=NCCN1 SY046532 [0,0,0,1,0,0|2,0,1]=4 94 B7R1.1 ClCC1CCCO1 SY049357 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.1 FC[C@H]1CCCN1 SY098832 [0,0,0,1,0,0|2,0,0]=3 96 B7R1.1 N#CC1CCCN1 SY026581 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.1 N#CC1CCCO1 SY012529 [0,0,0,1,0,0|2,0,1]=4 98 B7R1.1 N#C[C@@H]1CCCN1 SY006280 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.1 N#C[C@H]1CCCN1 SY007468 [0,0,0,1,0,0|2,0,1]=4 100 B7R1.1 NCC1CCCC1 SY013219 [0,0,0,1,0,0|3,0,0]=4 101 B7R1.1 NCC1CCCC1 SY025882 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.1 NC[C@@H]1CCCO1 SY012535 [0,0,0,1,0,0|2,0,0]=3 103 B7R1.1 O=CC1CCCO1 SY024520 [0,0,0,1,0,0|1,0,2]=4 104 B7R1.1 OCC1CCCC1 SY006011 [0,0,0,1,0,0|2,0,0]=3 105 B7R1.1 OCC1CCCN1 SY013851 [0,0,0,1,0,0|1,0,0]=2 106 B7R1.1 OCC1CCNC1 SY018506 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.1 OCC1CCNC1 SY021497 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.1 OCC1CCOC1 SY030918 [0,0,0,1,0,0|3,0,0]=4 109 B7R1.1 OC[C@@H]1CCCO1 SY227666 [0,0,0,1,0,0|1,0,0]=2 110 B7R1.1 OC[C@@H]1CCNC1 SY008238 [0,0,0,1,0,0|3,0,0]=4 111 B7R1.1 OC[C@H]1CCCN1 SY013466 [0,0,0,1,0,0|1,0,0]=2 112 B7R1.1 OC[C@H]1CCCO1 SY106537 [0,0,0,1,0,0|1,0,0]=2 113 B7R1.1 OC[C@H]1CCNC1 SY008227 [0,0,0,1,0,0|3,0,0]=4 114 B7R1.3 BrC1CCCOC1 SY005937 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.3 CC1CNCCO1 SY008226 [0,0,0,1,0,0|1,0,0]=2 116 B7R1.3 CC1COCCN1 SY028991 [0,0,0,1,0,0|3,0,0]=4 117 B7R1.3 C[C@@H]1CCCNC1 SY069171 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.3 C[C@@H]1CNCCN1 SY004931 [0,0,0,1,0,0|2,0,0]=3 119 B7R1.3 C[C@@H]1CNCCO1 SY021208 [0,0,0,1,0,0|1,0,0]=2 120 B7R1.3 C[C@@H]1CNCCO1 SY032742 [0,0,0,1,0,0|1,0,0]=2 121 B7R1.3 C[C@@H]1COCCN1 SY021211 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.3 C[C@@H]1COCCN1 SY023875 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.3 C[C@H]1CCCNC1 SY115150 [0,0,0,1,0,0|2,0,0]=3 124 B7R1.3 C[C@H]1CCCNC1 SY273114 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.3 C[C@H]1CNCCO1 SY021210 [0,0,0,1,0,0|1,0,0]=2 126 B7R1.3 C[C@H]1CNCCO1 SY043150 [0,0,0,1,0,0|1,0,0]=2 127 B7R1.3 C[C@H]1COCCN1 SY002673 [0,0,0,1,0,0|3,0,0]=4 128 B7R1.3 C[C@H]1COCCN1 SY023874 [0,0,0,1,0,0|3,0,0]=4 129 B7R1.3 FC1CCCNC1 SY010384 [0,0,0,1,0,0|2,0,0]=3 130 B7R1.3 NC1CCCNC1 SY020460 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.3 N[C@@H]1CCCNC1 SY008763 [0,0,0,1,0,0|2,0,0]=3 132 B7R1.3 N[C@@H]1CCCOC1 SY023981 [0,0,0,1,0,0|3,0,0]=4 133 B7R1.3 N[C@H]1CCCNC1 SY009305 [0,0,0,1,0,0|2,0,0]=3 134 B7R1.3 N[C@H]1CCCOC1 SY023980 [0,0,0,1,0,0|3,0,0]=4 135 B7R1.3 O=C1CCCCO1 SY018264 [0,0,0,1,0,0|1,0,2]=4 136 B7R1.3 O=C1CCCNC1 SY025656 [0,0,0,1,0,0|1,0,2]=4 137 B7R1.3 O=C1CNCCN1 SY002559 [0,0,0,1,0,0|1,0,2]=4 138 B7R1.3 O=C1CNCCO1 SY047308 [0,0,0,1,0,0|0,0,2]=3 139 B7R1.3 O=C1COCCO1 SY055447 [0,0,0,1,0,0|1,0,2]=4 140 B7R1.3 OC1CC=CCC1 SY264800 [0,0,0,1,0,0|2,0,1]=4 141 B7R1.3 OC1CCCCO1 SY009592 [0,0,0,1,0,0|1,0,0]=2 142 B7R1.3 OC1CCCNC1 SY002024 [0,0,0,1,0,0|1,0,0]=2 143 B7R1.3 OC1CCCOC1 SY021770 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.3 OC1CCNCC1 SY025543 [0,0,0,1,0,0|3,0,0]=4 145 B7R1.3 OC1CCOCC1 SY002687 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.3 OC1CCSCC1 SY019603 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.3 OC1COCOC1 SY039164 [0,0,0,1,0,0|3,0,0]=4 148 B7R1.3 O[C@@H]1CCCNC1 SY017793 [0,0,0,1,0,0|1,0,0]=2 149 B7R1.3 O[C@H]1CCCNC1 SY020871 [0,0,0,1,0,0|1,0,0]=2 150 B7R1.4 C[C@@H]1CNC[C@@H]1O SY124368 [0,0,0,1,0,0|1,0,0]=2 151 B7R1.4 C[C@H]1CCC[C@H]1N SY254157 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.4 F[C@@H]1CNC[C@H]1F SY270347 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.4 F[C@H]1CNC[C@@H]1F SY301499 [0,0,0,1,0,0|2,0,0]=3 154 B7R1.4 F[C@H]1CNC[C@H]1F SY302340 [0,0,0,1,0,0|2,0,0]=3 155 B7R1.4 NC1CCCC1O SY004734 [0,0,0,1,0,0|2,0,0]=3 156 B7R1.4 N[C@@H]1CCC[C@@H]1O SY002754 [0,0,0,1,0,0|2,0,0]=3 157 B7R1.4 N[C@@H]1CCC[C@H]1O SY002755 [0,0,0,1,0,0|2,0,0]=3 158 B7R1.4 N[C@@H]1CCC[C@H]1O SY004738 [0,0,0,1,0,0|2,0,0]=3 159 B7R1.4 N[C@@H]1CCC[C@H]1O SY029613 [0,0,0,1,0,0|2,0,0]=3 160 B7R1.4 N[C@@H]1COC[C@@H]1N SY097056 [0,0,0,1,0,0|3,0,0]=4 161 B7R1.4 N[C@H]1CCC[C@@H]1O SY003862 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.4 N[C@H]1CCC[C@H]1O SY003863 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.4 N[C@H]1COC[C@H]1O SY233968 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.4 OC1CCCC1F SY273252 [0,0,0,1,0,0|2,0,0]=3 165 B7R1.4 OC1CCCC1O SY007557 [0,0,0,1,0,0|1,0,0]=2 166 B7R1.4 OC1COCC1Br SY262931 [0,0,0,1,0,0|2,0,0]=3 167 B7R1.4 O[C@@H]1CCC[C@H]1Cl SY058932 [0,0,0,1,0,0|2,0,0]=3 168 B7R1.4 O[C@@H]1CCC[C@H]1F SY273251 [0,0,0,1,0,0|2,0,0]=3 169 B7R1.4 O[C@@H]1CCC[C@H]1O SY028304 [0,0,0,1,0,0|1,0,0]=2 170 B7R1.4 O[C@@H]1CNC[C@H]1O SY038177 [0,0,0,1,0,0|0,0,0]=1 171 B7R1.4 O[C@H]1CNC[C@@H]1O SY031965 [0,0,0,1,0,0|0,0,0]=1 172 B7R1.4 O[C@H]1CNC[C@H]1O SY097115 [0,0,0,1,0,0|0,0,0]=1 173 B7R1.6 C#CCN1CCC1 SY268125 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.6 NCCN1CCC1 SY099362 [0,0,0,1,0,0|2,0,0]=3 175 B7R1.6 OCCC1CCO1 SY099736 [0,0,0,1,0,0|1,0,0]=2 176 B7R1.6 OCCC1COC1 SY097532 [0,0,0,1,0,0|3,0,0]=4 177 B7R1.7 CCCCC1CO1 SY049832 [0,0,0,1,0,0|2,0,0]=3 178 B7R1.7 OCC#CC1CC1 SY028195 [0,0,0,1,0,0|2,0,1]=4 179 B7R1.24 C1CNCCOC1 SY002594 [0,0,0,1,0,0|1,0,0]=2 180 B7R1.24 C1CNCCOC1 SY023485 [0,0,0,1,0,0|1,0,0]=2 181 B4R0.2 BrCCCI SY288042 [2,0,0,0,0,0|2,0,0]=4 182 B4R0.2 CCCNN SY048075 [2,0,0,0,0,0|2,0,0]=4 183 B4R0.2 CCCON SY096737 [2,0,0,0,0,0|2,0,0]=4 184 B4R0.2 CNCC#N SY003939 [2,0,0,0,0,0|1,0,1]=4 185 B4R0.2 CNCCBr SY044997 [2,0,0,0,0,0|1,0,0]=3 186 B4R0.2 CNCCF SY122542 [2,0,0,0,0,0|1,0,0]=3 187 B4R0.2 CNCCN SY023647 [2,0,0,0,0,0|1,0,0]=3 188 B4R0.2 COCCI SY248715 [2,0,0,0,0,0|2,0,0]=4 189 B4R0.2 ClCCCI SY031611 [2,0,0,0,0,0|2,0,0]=4 190 B4R0.2 FCCCI SY025148 [2,0,0,0,0,0|2,0,0]=4 191 B4R0.2 ICCCI SY045006 [2,0,0,0,0,0|2,0,0]=4 192 B4R0.2 N#CCCO SY005485 [2,0,0,0,0,0|1,0,1]=4 193 B4R0.2 NCCCBr SY008325 [2,0,0,0,0,0|2,0,0]=4 194 B4R0.2 NCCCCl SY001694 [2,0,0,0,0,0|2,0,0]=4 195 B4R0.2 NCCCI SY154270 [2,0,0,0,0,0|2,0,0]=4 196 B4R0.2 NOCCO SY007135 [2,0,0,0,0,0|2,0,0]=4 197 B4R0.2 OCCCBr SY001898 [2,0,0,0,0,0|1,0,0]=3 198 B4R0.2 OCCCF SY033053 [2,0,0,0,0,0|1,0,0]=3 199 B4R0.2 OCCCI SY016401 [2,0,0,0,0,0|1,0,0]=3 200 B6R0.1 CCCC(C)CN SY271841 [1,1,0,0,0,0|2,0,0]=4 201 B6R0.1 CCCC(O)CO SY032914 [1,1,0,0,0,0|1,0,0]=3 202 B6R0.1 CCC[C@@H](N)CF SY045881 [1,1,0,0,0,0|2,0,0]=4 203 B6R0.1 CCC[C@@H](N)CO SY038521 [1,1,0,0,0,0|1,0,0]=3 204 B6R0.1 CCC[C@H](N)CF SY045882 [1,1,0,0,0,0|2,0,0]=4 205 B6R0.1 CCC[C@H](N)CO SY017944 [1,1,0,0,0,0|1,0,0]=3 206 B6R0.1 CCNC(=O)CCl SY024489 [1,1,0,0,0,0|1,0,1]=4 207 B6R0.1 CCOC(=O)CO SY002762 [1,1,0,0,0,0|1,0,1]=4 208 B6R0.1 CN(C=O)CCO SY038247 [1,1,0,0,0,0|0,0,2]=4 209 B6R0.1 CNC(=O)CCO SY083761 [1,1,0,0,0,0|2,0,0]=4 210 B6R0.1 CNC[C@@H](O)CO SY294795 [1,1,0,0,0,0|2,0,0]=4 211 B6R0.1 COC(=O)CCO SY008913 [1,1,0,0,0,0|2,0,0]=4 212 B6R0.1 NCCC(O)CO SY260308 [1,1,0,0,0,0|1,0,0]=3 213 B6R0.1 OCCC(O)CO SY003295 [1,1,0,0,0,0|0,0,0]=2 214 B6R0.1 OCC[C@H](O)CO SY274042 [1,1,0,0,0,0|0,0,0]=2 215 B6R0.1 O[C@@H](CBr)CCBr SY301486 [1,1,0,0,0,0|2,0,0]=4 216 B6R0.4 C=CCC[C@H](C)O SY307699 [1,1,0,0,0,0|1,0,1]=4 217 B6R0.4 CC(=O)CCCO SY002852 [1,1,0,0,0,0|0,0,2]=4 218 B6R0.4 CC(=O)NCCN SY313725 [1,1,0,0,0,0|1,0,1]=4 219 B6R0.4 CC(C)CCCO SY016761 [1,1,0,0,0,0|1,0,0]=3 220 B6R0.4 CC(C)NCCCl SY028925 [1,1,0,0,0,0|1,0,0]=3 221 B6R0.4 CC(C)OCCBr SY031858 [1,1,0,0,0,0|2,0,0]=4 222 B6R0.4 CC(Cl)CCCO SY207412 [1,1,0,0,0,0|1,0,0]=3 223 B6R0.4 CC(O)CCCO SY239899 [1,1,0,0,0,0|0,0,0]=2 224 B6R0.4 CCCCB(O)O SY012742 [1,1,0,0,0,0|2,0,0]=4 225 B6R0.4 NC(=O)NCCO SY038945 [1,1,0,0,0,0|0,0,2]=4 226 B6R0.4 O=C(O)CCCBr SY001501 [1,1,0,0,0,0|1,0,1]=4 227 B6R0.4 O=[N+]([O-])CCCO SY211657 [1,1,0,0,0,0|1,0,1]=4 228 B8R0.1 C#CCCC(=O)CCO SY106323 [0,2,0,0,0,0|2,0,0]=4 229 B8R0.4 C#CCCCCCCO SY051403 [0,2,0,0,0,0|2,0,0]=4 230 B8R0.4 C=CCCCCCON SY281734 [0,2,0,0,0,0|2,0,0]=4 231 B8R0.4 C=CCCCCCON SY281735 [0,2,0,0,0,0|2,0,0]=4 232 B8R0.4 CCCCCCCON SY281820 [0,2,0,0,0,0|2,0,0]=4 233 B8R0.4 CCCCCCCON SY281821 [0,2,0,0,0,0|2,0,0]=4 234 B8R0.4 CCOCCNCCN SY301811 [0,2,0,0,0,0|1,0,0]=3 235 B8R0.4 COCCCCCCBr SY040480 [0,2,0,0,0,0|2,0,0]=4 236 B8R0.4 COCCOCCON SY281837 [0,2,0,0,0,0|1,0,0]=3 237 B8R0.4 COCCOCCON SY281838 [0,2,0,0,0,0|1,0,0]=3 238 B8R0.4 OCCCCCCCBr SY019463 [0,2,0,0,0,0|2,0,0]=4 239 B8R0.4 OCCCCCCCO SY010789 [0,2,0,0,0,0|1,0,0]=3 240 B8R0.4 OCCCOCCCO SY116704 [0,2,0,0,0,0|1,0,0]=3 241 B8R0.6 C#C[C@@H](O)CCCCC SY029413 [0,2,0,0,0,0|2,0,0]=4 242 B8R0.6 N#CC(O)CCCCO SY028469 [0,2,0,0,0,0|1,0,0]=3 243 B8R0.7 CC(C)NCCCCO SY054140 [0,2,0,0,0,0|2,0,0]=4 244 B8R0.7 CCCCCCB(O)O SY017961 [0,2,0,0,0,0|2,0,0]=4 245 B8R0.7 CCCCCC[C@@H](C)O SY038272 [0,2,0,0,0,0|2,0,0]=4 246 B8R0.7 CN(C)CCNCCO SY270833 [0,2,0,0,0,0|1,0,0]=3 247 B8R0.7 COCCOCC(=O)O SY035294 [0,2,0,0,0,0|1,0,1]=4 248 B8R0.7 NC(=O)CCCCCO SY247977 [0,2,0,0,0,0|1,0,1]=4 249 B8R0.7 NCCCCCC(=O)O SY003109 [0,2,0,0,0,0|2,0,0]=4 250 B8R0.7 O=C(O)CCCCCCl SY053214 [0,2,0,0,0,0|2,0,0]=4 251 B8R0.7 O=C(O)CCCCCO SY032043 [0,2,0,0,0,0|1,0,0]=3 252 B8R0.7 O=C(O)CCOCCBr SY273001 [0,2,0,0,0,0|2,0,0]=4 253 B8R0.7 O=C(O)CCOCCO SY293391 [0,2,0,0,0,0|1,0,0]=3 254 B8R0.7 O=C([O-])CCCCCO SY121174 [0,2,0,0,0,0|1,0,1]=4 255 B8R0.7 O=[N+]([O-])CCCCCO SY266588 [0,2,0,0,0,0|1,0,1]=4 256 B8R0.8 N[C@@H](CCCO)C(=O)O SY269711 [0,2,0,0,0,0|1,0,1]=4 257 B8R0.30 O=S(=O)(CCO)CCO SY025639 [0,2,0,0,0,0|1,0,0]=3 258 B6R1.1 C1=CCNCC1 SY020557 [1,0,0,1,0,0|1,0,1]=4 259 B6R1.1 C1CCNNC1 SY028291 [1,0,0,1,0,0|2,0,0]=4 260 B6R1.1 C1CCONC1 SY105413 [1,0,0,1,0,0|1,0,0]=3 261 B6R1.1 C1COCCN1 SY059143 [1,0,0,1,0,0|0,0,0]=2 262 B6R1.1 C1CSCCN1 SY033134 [1,0,0,1,0,0|0,1,0]=3 263 B6R1.2 C=C1CCNC1 SY038558 [1,0,0,1,0,0|1,0,1]=4 264 B6R1.2 CC1CCCN1 SY042657 [1,0,0,1,0,0|1,0,0]=3 265 B6R1.2 CN1CCNC1 SY251230 [1,0,0,1,0,0|2,0,0]=4 266 B6R1.2 C[C@@H]1CCCN1 SY019809 [1,0,0,1,0,0|1,0,0]=3 267 B6R1.2 C[C@@H]1CCNC1 SY097390 [1,0,0,1,0,0|1,0,0]=3 268 B6R1.2 C[C@H]1CCCN1 SY019821 [1,0,0,1,0,0|1,0,0]=3 269 B6R1.2 C[C@H]1CCNC1 SY097402 [1,0,0,1,0,0|1,0,0]=3 270 B6R1.2 ClC1CCOC1 SY185690 [1,0,0,1,0,0|2,0,0]=4 271 B6R1.2 Cl[C@@H]1CCNC1 SY281534 [1,0,0,1,0,0|1,0,0]=3 272 B6R1.2 FC1CCNC1 SY032538 [1,0,0,1,0,0|1,0,0]=3 273 B6R1.2 F[C@@H]1CCNC1 SY008511 [1,0,0,1,0,0|1,0,0]=3 274 B6R1.2 F[C@H]1CCNC1 SY008512 [1,0,0,1,0,0|1,0,0]=3 275 B6R1.2 IC1CCCC1 SY019127 [1,0,0,1,0,0|2,0,0]=4 276 B6R1.2 IC1CCOC1 SY042009 [1,0,0,1,0,0|2,0,0]=4 277 B6R1.2 NC1CCNC1 SY005919 [1,0,0,1,0,0|1,0,0]=3 278 B6R1.2 NC1CCOC1 SY003277 [1,0,0,1,0,0|2,0,0]=4 279 B6R1.2 NC1CCOC1 SY042059 [1,0,0,1,0,0|2,0,0]=4 280 B6R1.2 N[C@@H]1CCOC1 SY020665 [1,0,0,1,0,0|2,0,0]=4 281 B6R1.2 N[C@@H]1CCOC1 SY024464 [1,0,0,1,0,0|2,0,0]=4 282 B6R1.2 N[C@H]1CCNC1 SY057131 [1,0,0,1,0,0|1,0,0]=3 283 B6R1.2 N[C@H]1CCOC1 SY020664 [1,0,0,1,0,0|2,0,0]=4 284 B6R1.2 N[C@H]1CCOC1 SY024406 [1,0,0,1,0,0|2,0,0]=4 285 B6R1.2 O=C1CCNC1 SY019727 [1,0,0,1,0,0|0,0,2]=4 286 B6R1.2 O=C1NCCO1 SY003480 [1,0,0,1,0,0|0,0,2]=4 287 B6R1.2 OC1CC=CC1 SY007884 [1,0,0,1,0,0|1,0,1]=4 288 B6R1.2 OC1CCCO1 SY016132 [1,0,0,1,0,0|0,0,0]=2 289 B6R1.2 OC1CCNC1 SY001203 [1,0,0,1,0,0|0,0,0]=2 290 B6R1.2 OC1CCNC1 SY003143 [1,0,0,1,0,0|0,0,0]=2 291 B6R1.2 OC1CCOC1 SY003288 [1,0,0,1,0,0|1,0,0]=3 292 B6R1.2 OC1CCSC1 SY185762 [1,0,0,1,0,0|1,0,0]=3 293 B6R1.2 O[C@@H]1CCNC1 SY003191 [1,0,0,1,0,0|0,0,0]=2 294 B6R1.2 O[C@@H]1CCNC1 SY018523 [1,0,0,1,0,0|0,0,0]=2 295 B6R1.2 O[C@@H]1CCOC1 SY016904 [1,0,0,1,0,0|1,0,0]=3 296 B6R1.2 O[C@@H]1CNOC1 SY021787 [1,0,0,1,0,0|1,0,0]=3 297 B6R1.2 O[C@H]1CCNC1 SY003190 [1,0,0,1,0,0|0,0,0]=2 298 B6R1.2 O[C@H]1CCNC1 SY007382 [1,0,0,1,0,0|0,0,0]=2 299 B6R1.2 O[C@H]1CCOC1 SY003096 [1,0,0,1,0,0|1,0,0]=3 300 B6R1.2 O[C@H]1CNOC1 SY021785 [1,0,0,1,0,0|1,0,0]=3 301 B6R1.3 BrCCC1CC1 SY023093 [1,0,0,1,0,0|2,0,0]=4 302 B6R1.3 BrCCC1CO1 SY021183 [1,0,0,1,0,0|1,0,0]=3 303 B6R1.3 CCNC1CC1 SY027577 [1,0,0,1,0,0|1,0,0]=3 304 B6R1.3 CCNC1CC1 SY027695 [1,0,0,1,0,0|1,0,0]=3 305 B6R1.3 NCCC1CC1 SY042128 [1,0,0,1,0,0|2,0,0]=4 306 B6R1.3 OCCC1CC1 SY041938 [1,0,0,1,0,0|1,0,0]=3 307 B6R1.4 CC1CCC1O SY161762 [1,0,0,1,0,0|1,0,0]=3 308 B6R1.4 C[C@@H]1NC[C@@H]1F SY310794 [1,0,0,1,0,0|1,0,0]=3 309 B6R1.4 C[C@@H]1NC[C@H]1F SY310804 [1,0,0,1,0,0|1,0,0]=3 310 B6R1.4 C[C@@H]1NC[C@H]1O SY310807 [1,0,0,1,0,0|0,0,0]=2 311 B6R1.4 OC1CCC1O SY301012 [1,0,0,1,0,0|0,0,0]=2 312 B6R1.6 C#CC1CCO1 SY284813 [1,0,0,1,0,0|1,0,1]=4 313 B6R1.6 ICC1CCC1 SY073415 [1,0,0,1,0,0|2,0,0]=4 314 B6R1.6 NCC1CCC1 SY035875 [1,0,0,1,0,0|2,0,0]=4 315 B6R1.6 NCC1CCO1 SY035857 [1,0,0,1,0,0|1,0,0]=3 316 B6R1.6 NC[C@@H]1CCO1 SY250609 [1,0,0,1,0,0|1,0,0]=3 317 B6R1.6 NC[C@H]1CCO1 SY262606 [1,0,0,1,0,0|1,0,0]=3 318 B6R1.6 OCC1CCO1 SY042053 [1,0,0,1,0,0|0,0,0]=2 319 B6R1.6 OCC1CNC1 SY024106 [1,0,0,1,0,0|2,0,0]=4 320 B6R1.6 OCC1COC1 SY009472 [1,0,0,1,0,0|2,0,0]=4 321 B6R1.6 OC[C@@H]1CCO1 SY270417 [1,0,0,1,0,0|0,0,0]=2 322 B8R1.2 BrCC1CCCNC1 SY029332 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.2 BrC[C@@H]1COCCO1 SY274810 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.2 C#CC1CNCCO1 SY284821 [0,1,0,1,0,0|1,0,0]=3 325 B8R1.2 COC1CCCNC1 SY041935 [0,1,0,1,0,0|1,0,0]=3 326 B8R1.2 COC1CCCNC1 SY104362 [0,1,0,1,0,0|1,0,0]=3 327 B8R1.2 CO[C@H]1CCCNC1 SY098191 [0,1,0,1,0,0|1,0,0]=3 328 B8R1.2 N#CC1CCCNC1 SY004324 [0,1,0,1,0,0|2,0,0]=4 329 B8R1.2 N#CC1CNCCN1 SY039711 [0,1,0,1,0,0|2,0,0]=4 330 B8R1.2 N#CC1CNCCO1 SY114773 [0,1,0,1,0,0|1,0,0]=3 331 B8R1.2 NCC1CCCCO1 SY003242 [0,1,0,1,0,0|2,0,0]=4 332 B8R1.2 NCC1CCCOC1 SY020076 [0,1,0,1,0,0|2,0,0]=4 333 B8R1.2 NCC1CNCCO1 SY005409 [0,1,0,1,0,0|1,0,0]=3 334 B8R1.2 NCC1COCCO1 SY035253 [0,1,0,1,0,0|2,0,0]=4 335 B8R1.2 NC[C@@H]1COCCO1 SY044998 [0,1,0,1,0,0|2,0,0]=4 336 B8R1.2 NC[C@H]1COCCO1 SY035251 [0,1,0,1,0,0|2,0,0]=4 337 B8R1.2 NOC1CCCCO1 SY004632 [0,1,0,1,0,0|1,0,0]=3 338 B8R1.2 O=CC1COCCO1 SY277014 [0,1,0,1,0,0|1,0,1]=4 339 B8R1.2 OCC1CCC=CO1 SY051074 [0,1,0,1,0,0|1,0,1]=4 340 B8R1.2 OCC1CCCCC1 SY002783 [0,1,0,1,0,0|2,0,0]=4 341 B8R1.2 OCC1CCCCN1 SY009271 [0,1,0,1,0,0|1,0,0]=3 342 B8R1.2 OCC1CCCCO1 SY003220 [0,1,0,1,0,0|1,0,0]=3 343 B8R1.2 OCC1CCOCC1 SY002701 [0,1,0,1,0,0|2,0,0]=4 344 B8R1.2 OCC1CCSCC1 SY019602 [0,1,0,1,0,0|2,0,0]=4 345 B8R1.2 OCC1CNCCO1 SY107412 [0,1,0,1,0,0|0,0,0]=2 346 B8R1.2 OCC1COCCN1 SY003798 [0,1,0,1,0,0|0,0,0]=2 347 B8R1.2 OCC1COCCO1 SY019310 [0,1,0,1,0,0|1,0,0]=3 348 B8R1.2 OC[C@@H]1CCCCN1 SY105311 [0,1,0,1,0,0|1,0,0]=3 349 B8R1.2 OC[C@@H]1CCCNC1 SY067329 [0,1,0,1,0,0|1,0,0]=3 350 B8R1.2 OC[C@@H]1CCCNC1 SY068903 [0,1,0,1,0,0|1,0,0]=3 351 B8R1.2 OC[C@@H]1CNCCO1 SY029745 [0,1,0,1,0,0|0,0,0]=2 352 B8R1.2 OC[C@@H]1CNCCO1 SY129054 [0,1,0,1,0,0|0,0,0]=2 353 B8R1.2 OC[C@@H]1COCCN1 SY022551 [0,1,0,1,0,0|0,0,0]=2 354 B8R1.2 OC[C@@H]1COCCN1 SY029258 [0,1,0,1,0,0|0,0,0]=2 355 B8R1.2 OC[C@@H]1COCCO1 SY033160 [0,1,0,1,0,0|1,0,0]=3 356 B8R1.2 OC[C@H]1CCC=CO1 SY257768 [0,1,0,1,0,0|1,0,1]=4 357 B8R1.2 OC[C@H]1CCCNC1 SY027077 [0,1,0,1,0,0|1,0,0]=3 358 B8R1.2 OC[C@H]1CCCNC1 SY069039 [0,1,0,1,0,0|1,0,0]=3 359 B8R1.2 OC[C@H]1CNCCO1 SY024785 [0,1,0,1,0,0|0,0,0]=2 360 B8R1.2 OC[C@H]1CNCCO1 SY102185 [0,1,0,1,0,0|0,0,0]=2 361 B8R1.2 OC[C@H]1COCCN1 SY024782 [0,1,0,1,0,0|0,0,0]=2 362 B8R1.2 OC[C@H]1COCCO1 SY033161 [0,1,0,1,0,0|1,0,0]=3 363 B8R1.5 CC1CNCCN1C SY016183 [0,1,0,1,0,0|2,0,0]=4 364 B8R1.5 CC1OCCNC1=O SY032980 [0,1,0,1,0,0|1,0,1]=4 365 B8R1.5 C[C@@H]1CNCCN1C SY033048 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.5 C[C@@H]1NCCN[C@@H]1C SY274005 [0,1,0,1,0,0|2,0,0]=4 367 B8R1.5 C[C@@H]1NCCN[C@H]1C SY275439 [0,1,0,1,0,0|2,0,0]=4 368 B8R1.5 C[C@H]1CNCCN1C SY023797 [0,1,0,1,0,0|2,0,0]=4 369 B8R1.5 N[C@@H]1CCCC[C@@H]1O SY046252 [0,1,0,1,0,0|2,0,0]=4 370 B8R1.5 N[C@@H]1CCCC[C@H]1O SY026108 [0,1,0,1,0,0|2,0,0]=4 371 B8R1.5 N[C@@H]1CCCC[C@H]1O SY026111 [0,1,0,1,0,0|2,0,0]=4 372 B8R1.5 N[C@@H]1CCCC[C@H]1O SY026112 [0,1,0,1,0,0|2,0,0]=4 373 B8R1.5 N[C@@H]1CCCC[C@H]1O SY127907 [0,1,0,1,0,0|2,0,0]=4 374 B8R1.5 N[C@@H]1CCOC[C@H]1O SY259261 [0,1,0,1,0,0|2,0,0]=4 375 B8R1.5 N[C@@H]1COCC[C@H]1O SY044939 [0,1,0,1,0,0|2,0,0]=4 376 B8R1.5 N[C@H]1CCCC[C@@H]1O SY026110 [0,1,0,1,0,0|2,0,0]=4 377 B8R1.5 N[C@H]1CCCC[C@@H]1O SY026117 [0,1,0,1,0,0|2,0,0]=4 378 B8R1.5 N[C@H]1CCCC[C@H]1O SY014948 [0,1,0,1,0,0|2,0,0]=4 379 B8R1.5 N[C@H]1CCOC[C@@H]1O SY241084 [0,1,0,1,0,0|2,0,0]=4 380 B8R1.5 O=C1CCNCC1F SY015074 [0,1,0,1,0,0|1,0,1]=4 381 B8R1.5 O=C1NCCCC1O SY110845 [0,1,0,1,0,0|1,0,1]=4 382 B8R1.5 OC1CCOCC1F SY099042 [0,1,0,1,0,0|2,0,0]=4 383 B8R1.5 O[C@@H]1CCCC[C@H]1O SY019731 [0,1,0,1,0,0|1,0,0]=3 384 B8R1.5 O[C@@H]1CCCC[C@H]1S SY268159 [0,1,0,1,0,0|1,1,0]=4 385 B8R1.5 O[C@@H]1CCNC[C@H]1F SY043299 [0,1,0,1,0,0|1,0,0]=3 386 B8R1.5 O[C@@H]1CNCC[C@H]1F SY038539 [0,1,0,1,0,0|1,0,0]=3 387 B8R1.5 O[C@@H]1CNNC[C@H]1O SY263540 [0,1,0,1,0,0|0,0,0]=2 388 B8R1.5 O[C@@H]1CSSC[C@H]1O SY274619 [0,1,0,1,0,0|1,0,0]=3 389 B8R1.8 BrCCN1CCCC1 SY040483 [0,1,0,1,0,0|2,0,0]=4 390 B8R1.8 COCC1CCCN1 SY122813 [0,1,0,1,0,0|1,0,0]=3 391 B8R1.8 COC[C@H]1CCCN1 SY013140 [0,1,0,1,0,0|1,0,0]=3 392 B8R1.8 ClCCN1CCCC1 SY013128 [0,1,0,1,0,0|2,0,0]=4 393 B8R1.8 NCCC1OCCO1 SY052592 [0,1,0,1,0,0|2,0,0]=4 394 B8R1.8 OCCC1CCCC1 SY032290 [0,1,0,1,0,0|2,0,0]=4 395 B8R1.10 N#CCNC1COC1 SY286335 [0,1,0,1,0,0|1,0,1]=4 396 B8R1.11 C#CC1CCCC1O SY007474 [0,1,0,1,0,0|2,0,0]=4 397 B8R1.11 C#C[C@@H]1CCC[C@@H]1O SY224509 [0,1,0,1,0,0|2,0,0]=4 398 B8R1.11 C#C[C@@H]1CCC[C@H]1O SY122583 [0,1,0,1,0,0|2,0,0]=4 399 B8R1.11 CN1CCCC1CN SY065143 [0,1,0,1,0,0|2,0,0]=4 400 B8R1.11 CN1CCC[C@@H]1CO SY023398 [0,1,0,1,0,0|1,0,0]=3 401 B8R1.11 CN1CCC[C@H]1CO SY004710 [0,1,0,1,0,0|1,0,0]=3 402 B8R1.11 CO[C@@H]1CNC[C@@H]1F SY124372 [0,1,0,1,0,0|1,0,0]=3 403 B8R1.11 NC1CCCC1CO SY284162 [0,1,0,1,0,0|2,0,0]=4 404 B8R1.11 NCC1CCCC1O SY188444 [0,1,0,1,0,0|2,0,0]=4 405 B8R1.11 OC[C@@H]1CNC[C@H]1O SY277380 [0,1,0,1,0,0|0,0,0]=2 406 B8R1.11 OC[C@@H]1CNC[C@H]1O SY277519 [0,1,0,1,0,0|0,0,0]=2 407 B8R1.11 OC[C@@H]1CNC[C@H]1O SY277520 [0,1,0,1,0,0|0,0,0]=2 408 B8R1.22 CC1CCNCCN1 SY033449 [0,1,0,1,0,0|2,0,0]=4 409 B8R1.22 CC1CNCCCO1 SY124393 [0,1,0,1,0,0|1,0,0]=3 410 B8R1.22 CN1CCCNCC1 SY002818 [0,1,0,1,0,0|2,0,0]=4 411 B8R1.22 FC1CNCCNC1 SY264756 [0,1,0,1,0,0|2,0,0]=4 412 B8R1.22 N[C@H]1CCCNCC1 SY280406 [0,1,0,1,0,0|2,0,0]=4 413 B8R1.22 O=C1CCCNCC1 SY017922 [0,1,0,1,0,0|1,0,1]=4 414 B8R1.22 O=C1CCCOCC1 SY036485 [0,1,0,1,0,0|2,0,0]=4 415 B8R1.22 O=C1CCNCCN1 SY019808 [0,1,0,1,0,0|1,0,1]=4 416 B8R1.22 O=C1CCNCCN1 SY075066 [0,1,0,1,0,0|1,0,1]=4 417 B8R1.22 O=C1CCOCCN1 SY029460 [0,1,0,1,0,0|1,0,1]=4 418 B8R1.22 OC1CCCOCC1 SY036492 [0,1,0,1,0,0|2,0,0]=4 419 B8R1.36 ClCCOCC1CO1 SY284587 [0,1,0,1,0,0|2,0,0]=4 420 B8R1.36 OCCNCC1CC1 SY033845 [0,1,0,1,0,0|1,0,0]=3 421 B8R1.49 C1CNCCCNC1 SY300849 [0,1,0,1,0,0|2,0,0]=4 422 B8R1.49 C1CNCCCNC1 SY307739 [0,1,0,1,0,0|2,0,0]=4 423 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 SY252911 [0,1,0,1,0,0|2,0,0]=4 424 B8R1.1 NC[C@@H]1CC[C@H](O)C1 SY252910 [0,1,0,1,0,0|2,0,0]=4 425 B8R1.1 O=C1CCC(CO)N1 SY059670 [0,1,0,1,0,0|1,0,1]=4 426 B8R1.1 O=C1CC[C@@H](CO)N1 SY004165 [0,1,0,1,0,0|1,0,1]=4 427 B8R1.1 O=C1CC[C@@H](CO)O1 SY010497 [0,1,0,1,0,0|1,0,1]=4 428 B8R1.1 O=C1CC[C@H](CO)N1 SY004164 [0,1,0,1,0,0|1,0,1]=4 429 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 SY069048 [0,1,0,1,0,0|0,0,0]=2 430 B8R1.3 CC1CNC(=O)CO1 SY032981 [0,1,0,1,0,0|1,0,1]=4 431 B8R1.3 CC1CNC(C)CN1 SY002107 [0,1,0,1,0,0|2,0,0]=4 432 B8R1.3 C[C@H]1CC[C@H](O)CC1 SY043391 [0,1,0,1,0,0|2,0,0]=4 433 B8R1.3 C[C@H]1CO[C@@H](C)CN1 SY039550 [0,1,0,1,0,0|1,0,0]=3 434 B8R1.3 NC1CCC(O)CC1 SY021212 [0,1,0,1,0,0|2,0,0]=4 435 B8R1.3 N[C@H]1CC[C@@H](O)CC1 SY016229 [0,1,0,1,0,0|2,0,0]=4 436 B8R1.3 N[C@H]1CC[C@@H](O)CC1 SY020495 [0,1,0,1,0,0|2,0,0]=4 437 B8R1.3 N[C@H]1CC[C@H](O)CC1 SY004216 [0,1,0,1,0,0|2,0,0]=4 438 B8R1.3 O=C1CCC(O)CN1 SY034611 [0,1,0,1,0,0|1,0,1]=4 439 B8R1.3 O=C1CC[C@H](O)CN1 SY107535 [0,1,0,1,0,0|1,0,1]=4 440 B8R1.3 OC1CCC(O)CC1 SY001809 [0,1,0,1,0,0|2,0,0]=4 441 B8R1.3 OC1COC(O)CO1 SY014400 [0,1,0,1,0,0|1,0,0]=3 442 B8R1.3 OC1CSC(O)CS1 SY003519 [0,1,0,1,0,0|1,1,0]=4 443 B8R1.3 O[C@H]1CC[C@H](O)CC1 SY040970 [0,1,0,1,0,0|2,0,0]=4 444 B8R1.50 O=C1OC[C@@H](O)[C@H]1O SY027383 [0,1,0,1,0,0|1,0,1]=4 445 B8R1.50 O=C1OC[C@H](O)[C@H]1O SY264849 [0,1,0,1,0,0|1,0,1]=4 446 B8R1.52 CC1(CBr)OCCO1 SY002392 [0,1,0,1,0,0|2,0,0]=4 447 B8R1.52 CC1(CN)OCCO1 SY059032 [0,1,0,1,0,0|2,0,0]=4 448 B8R1.52 NC1(CO)CCCC1 SY002988 [0,1,0,1,0,0|2,0,0]=4 449 B8R1.4 CC1CC(O)CCO1 SY023229 [0,1,0,1,0,0|2,0,0]=4 450 B8R1.4 CC1CNCC(O)C1 SY208218 [0,1,0,1,0,0|1,0,0]=3 451 B8R1.4 CN1CCCC(Br)C1 SY007127 [0,1,0,1,0,0|2,0,0]=4 452 B8R1.4 CN1CCCC(N)C1 SY022779 [0,1,0,1,0,0|2,0,0]=4 453 B8R1.4 CN1CCCC(O)C1 SY224914 [0,1,0,1,0,0|1,0,0]=3 454 B8R1.4 CN1CCC[C@@H](N)C1 SY035248 [0,1,0,1,0,0|2,0,0]=4 455 B8R1.4 CN1CCC[C@H](N)C1 SY035249 [0,1,0,1,0,0|2,0,0]=4 456 B8R1.4 C[C@@H]1CN(C)CCN1 SY253626 [0,1,0,1,0,0|2,0,0]=4 457 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 SY002764 [0,1,0,1,0,0|2,0,0]=4 458 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 SY014272 [0,1,0,1,0,0|1,0,0]=3 459 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 SY044731 [0,1,0,1,0,0|1,0,0]=3 460 B8R1.4 C[C@@H]1CNC[C@H](C)C1 SY023084 [0,1,0,1,0,0|2,0,0]=4 461 B8R1.4 C[C@H]1CN(C)CCN1 SY102190 [0,1,0,1,0,0|2,0,0]=4 462 B8R1.4 C[C@H]1CNC[C@@H](C)O1 SY003478 [0,1,0,1,0,0|1,0,0]=3 463 B8R1.4 C[C@H]1CNC[C@H](C)O1 SY025495 [0,1,0,1,0,0|1,0,0]=3 464 B8R1.4 NC1CCCC(O)C1 SY027772 [0,1,0,1,0,0|2,0,0]=4 465 B8R1.4 NC1CNCC(O)C1 SY272543 [0,1,0,1,0,0|1,0,0]=3 466 B8R1.6 C#CCN1CC(O)C1 SY268124 [0,1,0,1,0,0|1,0,1]=4 467 B8R1.6 NCCN1CC(F)C1 SY233159 [0,1,0,1,0,0|2,0,0]=4 468 B8R1.6 NCCN1CC(O)C1 SY233158 [0,1,0,1,0,0|1,0,0]=3 469 B8R1.7 CC(C)[C@@H]1CCCN1 SY099556 [0,1,0,1,0,0|2,0,0]=4 470 B8R1.7 FC(F)C1CCCN1 SY039463 [0,1,0,1,0,0|2,0,0]=4 471 B8R1.7 O=C(O)C1CCCN1 SY006205 [0,1,0,1,0,0|1,0,1]=4 472 B8R1.7 O=C(O)[C@@H]1CCCN1 SY001305 [0,1,0,1,0,0|1,0,1]=4 473 B8R1.7 O=C(O)[C@@H]1CCCO1 SY016392 [0,1,0,1,0,0|1,0,1]=4 474 B8R1.7 O=C(O)[C@H]1CCCN1 SY001352 [0,1,0,1,0,0|1,0,1]=4 475 B8R1.7 OC(=S)[C@@H]1CCCO1 SY299828 [0,1,0,1,0,0|1,0,1]=4 476 B8R1.19 CC1(C)CNC[C@H]1O SY284254 [0,1,0,1,0,0|1,0,0]=3 477 B8R1.19 OC1CNCC1(F)F SY233893 [0,1,0,1,0,0|1,0,0]=3 478 B8R1.35 CC(C)CNC1CC1 SY027578 [0,1,0,1,0,0|2,0,0]=4 479 B8R1.35 CC(C)CNC1CC1 SY027696 [0,1,0,1,0,0|2,0,0]=4 480 B8R1.48 OCC1CCC1(F)F SY098181 [0,1,0,1,0,0|2,0,0]=4 481 B8R1.72 CC1(C)CNCCN1 SY022639 [0,1,0,1,0,0|2,0,0]=4 482 B8R1.72 CC1(C)CNCCO1 SY005344 [0,1,0,1,0,0|1,0,0]=3 483 B8R1.72 CC1(C)CNCCO1 SY097274 [0,1,0,1,0,0|1,0,0]=3 484 B8R1.72 CC1(O)CCCNC1 SY245913 [0,1,0,1,0,0|1,0,0]=3 485 B8R1.72 C[C@]1(O)CCCNC1 SY294261 [0,1,0,1,0,0|1,0,0]=3 486 B8R1.72 FC1(F)CCCNC1 SY027548 [0,1,0,1,0,0|2,0,0]=4 487 B8R1.72 FC1(F)CNCCO1 SY253099 [0,1,0,1,0,0|1,0,0]=3 488 B8R1.66 OCCC1(O)CCC1 SY208467 [0,1,0,1,0,0|2,0,0]=4 489 B8R2.34 C1CC2CC1CN2 SY097467 [0,0,0,2,0,0|2,0,0]=4 490 B8R2.34 C1CC2CCC1N2 SY020142 [0,0,0,2,0,0|2,0,0]=4 491 B8R2.34 C1OC2CNC1C2 SY039544 [0,0,0,2,0,0|1,0,0]=3 492 B8R2.34 C1OC2CNC1C2 SY042104 [0,0,0,2,0,0|1,0,0]=3 493 B8R2.34 C1O[C@@H]2CN[C@H]1C2 SY020085 [0,0,0,2,0,0|1,0,0]=3 494 B8R2.34 C1O[C@H]2CN[C@@H]1C2 SY027151 [0,0,0,2,0,0|1,0,0]=3 495 B8R2.34 [C@@H]12CC[C@@H](CN1)C2 SY270533 [0,0,0,2,0,0|2,0,0]=4 496 B8R2.55 C1CCC2(C1)CO2 SY197069 [0,0,0,2,0,0|2,0,0]=4 497 B8R2.23 C1NCC2CC1C2 SY233831 [0,0,0,2,0,0|2,0,0]=4 498 B8R2.25 C1CC2OC2CO1 SY098970 [0,0,0,2,0,0|2,0,0]=4 499 B8R2.25 C1CNC2CC2C1 SY211945 [0,0,0,2,0,0|2,0,0]=4 500 B8R2.25 C1COC2CC2N1 SY116535 [0,0,0,2,0,0|1,0,0]=3 501 B8R2.38 [C@@H]12CC[C@@H](O)[C@@H]1C2 SY274832 [0,0,0,2,0,0|2,0,0]=4 502 B8R2.24 C1CC1NC2CC2 SY025776 [0,0,0,2,0,0|2,0,0]=4