0 B6R0.6 BrCCCCCBr CS-W019956 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.6 BrCCOCCBr CS-W014174 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 C#CCCCCCl CS-0204489 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.6 C#CCCCCI CS-0088557 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.6 C#CCCCCN CS-0059697 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.6 C#CCCCCN CS-0106594 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.6 C#CCCCCO CS-W016659 [0,0,0,0,0,0|0,1,2]=3 7 B6R0.6 C#CCOCCI CS-0514546 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.6 C#CCOCCN CS-0063716 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.6 C#CCOCCN CS-0199315 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.6 C#CCOCCO CS-0086239 [0,0,0,0,0,0|1,1,2]=4 11 B6R0.6 C(CC)=CCCO CS-W009552 [0,0,0,0,0,0|0,1,2]=3 12 B6R0.6 C(CO)=CCCC CS-W016652 [0,0,0,0,0,0|0,1,2]=3 13 B6R0.6 C=C=CCCCO CS-1014365 [0,0,0,0,0,0|0,1,3]=4 14 B6R0.6 C=CCCCCBr CS-W008939 [0,0,0,0,0,0|1,0,2]=3 15 B6R0.6 C=CCCCCN CS-0210385 [0,0,0,0,0,0|1,0,2]=3 16 B6R0.6 C=CCCCCO CS-W013711 [0,0,0,0,0,0|0,1,2]=3 17 B6R0.6 C=CCOCCO CS-0157967 [0,0,0,0,0,0|1,1,2]=4 18 B6R0.6 CCC#CCCO CS-0040171 [0,0,0,0,0,0|0,1,2]=3 19 B6R0.6 CCCCCCI CS-0132388 [0,0,0,0,0,0|1,0,0]=1 20 B6R0.6 CCCCCCN CS-0196786 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.6 CCCNCCC CS-0187381 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.6 CCCNCCC CS-0214120 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.6 CCCNCCO CS-0105782 [0,0,0,0,0,0|1,1,0]=2 24 B6R0.6 CCCOCCCl CS-0200392 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.6 CCC\C=C\C=O CS-0099263 [0,0,0,0,0,0|0,1,3]=4 26 B6R0.6 CCNCCCN CS-0151962 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.6 CCOCCCO CS-W013685 [0,0,0,0,0,0|1,1,0]=2 28 B6R0.6 CC\C=C/CCO CS-W011323 [0,0,0,0,0,0|0,1,2]=3 29 B6R0.6 CNCCCCBr CS-0163109 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.6 CNCCCCO CS-W006493 [0,0,0,0,0,0|1,1,0]=2 31 B6R0.6 COCCCCBr CS-W021313 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.6 COCCCCCl CS-0039726 [0,0,0,0,0,0|2,0,0]=2 33 B6R0.6 COCCCCO CS-0150179 [0,0,0,0,0,0|1,1,0]=2 34 B6R0.6 CSCCCCO CS-0204406 [0,0,0,0,0,0|1,1,0]=2 35 B6R0.6 ClCCCCCBr CS-W016940 [0,0,0,0,0,0|2,0,0]=2 36 B6R0.6 ClCCCCCI CS-0135342 [0,0,0,0,0,0|2,0,0]=2 37 B6R0.6 ClCCNCCCl CS-W020124 [0,0,0,0,0,0|3,0,0]=3 38 B6R0.6 FCCCCCBr CS-W005161 [0,0,0,0,0,0|2,0,0]=2 39 B6R0.6 ICCCCCI CS-0041009 [0,0,0,0,0,0|2,0,0]=2 40 B6R0.6 ICCOCCI CS-W011980 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.6 N#CCCCCBr CS-D1429 [0,0,0,0,0,0|2,0,1]=3 42 B6R0.6 N#CCCCCCl CS-W022361 [0,0,0,0,0,0|2,0,1]=3 43 B6R0.6 N#CCOCCCl CS-0158721 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.6 NCCCCCBr CS-0006784 [0,0,0,0,0,0|2,0,0]=2 45 B6R0.6 NCCCCCN CS-W017466 [0,0,0,0,0,0|2,0,0]=2 46 B6R0.6 NCCCCCO CS-W013687 [0,0,0,0,0,0|1,1,0]=2 47 B6R0.6 NCCNCCN CS-0498854 [0,0,0,0,0,0|3,0,0]=3 48 B6R0.6 NCCNCCO CS-W011299 [0,0,0,0,0,0|2,1,0]=3 49 B6R0.6 NCCOCCN CS-0114847 [0,0,0,0,0,0|3,0,0]=3 50 B6R0.6 NCCOCCN CS-0115750 [0,0,0,0,0,0|3,0,0]=3 51 B6R0.6 NCCOCCO CS-1013822 [0,0,0,0,0,0|2,1,0]=3 52 B6R0.6 NCCOCCO CS-1013830 [0,0,0,0,0,0|2,1,0]=3 53 B6R0.6 NCCOCCO CS-1014116 [0,0,0,0,0,0|2,1,0]=3 54 B6R0.6 NCCSCCN CS-W013570 [0,0,0,0,0,0|3,0,0]=3 55 B6R0.6 OCCCCCBr CS-0905394 [0,0,0,0,0,0|1,1,0]=2 56 B6R0.6 OCCCCCBr CS-W007393 [0,0,0,0,0,0|1,1,0]=2 57 B6R0.6 OCCCCCCl CS-0095410 [0,0,0,0,0,0|1,1,0]=2 58 B6R0.6 OCCCCCI CS-0252955 [0,0,0,0,0,0|1,1,0]=2 59 B6R0.6 OCCCCCO CS-W020635 [0,0,0,0,0,0|1,1,0]=2 60 B6R0.6 OCCNCCCl CS-0064563 [0,0,0,0,0,0|2,1,0]=3 61 B6R0.6 OCCOCCBr CS-0114928 [0,0,0,0,0,0|2,1,0]=3 62 B6R0.6 OCCOCCCl CS-0016058 [0,0,0,0,0,0|2,1,0]=3 63 B6R0.6 OCCOCCF CS-0199113 [0,0,0,0,0,0|2,1,0]=3 64 B6R0.6 OCCOCCI CS-0139452 [0,0,0,0,0,0|2,1,0]=3 65 B6R0.6 [N-]=[N+]=NCCCN CS-0620393 [0,0,0,0,0,0|4,0,0]=4 66 B5R0.2 BrCCCCBr CS-W020631 [1,0,0,0,0,0|2,0,0]=3 67 B5R0.2 C#CCCCBr CS-0147349 [1,0,0,0,0,0|1,0,2]=4 68 B5R0.2 C#CCCCCl CS-W009550 [1,0,0,0,0,0|1,0,2]=4 69 B5R0.2 C#CCCCI CS-0088561 [1,0,0,0,0,0|1,0,2]=4 70 B5R0.2 C#CCCCN CS-0038434 [1,0,0,0,0,0|1,0,2]=4 71 B5R0.2 C#CCCCO CS-W011358 [1,0,0,0,0,0|0,1,2]=4 72 B5R0.2 C=CCCCI CS-0135974 [1,0,0,0,0,0|1,0,2]=4 73 B5R0.2 C=CCCNC CS-0197692 [1,0,0,0,0,0|1,0,2]=4 74 B5R0.2 CCC#CCBr CS-0188171 [1,0,0,0,0,0|1,0,2]=4 75 B5R0.2 CCC#CCO CS-0143646 [1,0,0,0,0,0|0,1,2]=4 76 B5R0.2 CCCCON CS-0106180 [1,0,0,0,0,0|2,0,0]=3 77 B5R0.2 CCNCCO CS-0076051 [1,0,0,0,0,0|1,1,0]=3 78 B5R0.2 CCSCCN CS-0663845 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.2 CNCCC#N CS-W011357 [1,0,0,0,0,0|2,0,1]=4 80 B5R0.2 CNCCCCl CS-0150991 [1,0,0,0,0,0|2,0,0]=3 81 B5R0.2 CNCCCO CS-W007469 [1,0,0,0,0,0|1,1,0]=3 82 B5R0.2 COCCC#N CS-0030563 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.2 COCCCBr CS-W010945 [1,0,0,0,0,0|2,0,0]=3 84 B5R0.2 COCCNN CS-0249520 [1,0,0,0,0,0|3,0,0]=4 85 B5R0.2 CSCCCO CS-0015993 [1,0,0,0,0,0|1,1,0]=3 86 B5R0.2 C\C=C\CCO CS-0162245 [1,0,0,0,0,0|0,1,2]=4 87 B5R0.2 ClCCCCBr CS-W017647 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.2 ClCCCCI CS-W019348 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.2 FCCCCBr CS-W018025 [1,0,0,0,0,0|2,0,0]=3 90 B5R0.2 ICCCCI CS-W004871 [1,0,0,0,0,0|2,0,0]=3 91 B5R0.2 N#CCCCBr CS-W004123 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.2 N#CCCCCl CS-D1161 [1,0,0,0,0,0|2,0,1]=4 93 B5R0.2 NCCCCBr CS-W005399 [1,0,0,0,0,0|2,0,0]=3 94 B5R0.2 NCCCCCl CS-0158355 [1,0,0,0,0,0|2,0,0]=3 95 B5R0.2 NCCCCO CS-W002041 [1,0,0,0,0,0|1,1,0]=3 96 B5R0.2 OCCCCBr CS-W000344 [1,0,0,0,0,0|1,1,0]=3 97 B5R0.2 OCCCCCl CS-0022417 [1,0,0,0,0,0|1,1,0]=3 98 B5R0.2 OCCCCF CS-0116811 [1,0,0,0,0,0|1,1,0]=3 99 B5R0.2 OCCNCO CS-0203827 [1,0,0,0,0,0|2,1,0]=4 100 B7R0.1 BrCCCCCCBr CS-0015831 [0,1,0,0,0,0|1,0,0]=2 101 B7R0.1 C#CCCCCCO CS-W007441 [0,1,0,0,0,0|0,1,1]=3 102 B7R0.1 C#CCOCCOC CS-0038923 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.1 C=CCCCCCBr CS-W009270 [0,1,0,0,0,0|1,0,1]=3 104 B7R0.1 C=CCCCCNC CS-0187593 [0,1,0,0,0,0|1,0,1]=3 105 B7R0.1 C=COCCCCO CS-0077087 [0,1,0,0,0,0|0,1,2]=4 106 B7R0.1 CCCCCCCBr CS-W017293 [0,1,0,0,0,0|1,0,0]=2 107 B7R0.1 CCCCCCCO CS-0152146 [0,1,0,0,0,0|0,1,0]=2 108 B7R0.1 CCCCNCCO CS-0077079 [0,1,0,0,0,0|0,1,0]=2 109 B7R0.1 CCCC\C=C\C=O CS-0185633 [0,1,0,0,0,0|0,1,2]=4 110 B7R0.1 CCCOCCCN CS-0213493 [0,1,0,0,0,0|1,0,0]=2 111 B7R0.1 CCNCCCCO CS-0206547 [0,1,0,0,0,0|0,1,0]=2 112 B7R0.1 CNCCOCCO CS-0209922 [0,1,0,0,0,0|1,1,0]=3 113 B7R0.1 COCCOCCBr CS-0116183 [0,1,0,0,0,0|2,0,0]=3 114 B7R0.1 COCCOCCI CS-0150162 [0,1,0,0,0,0|2,0,0]=3 115 B7R0.1 COCCOCCN CS-0115786 [0,1,0,0,0,0|2,0,0]=3 116 B7R0.1 COCCOCCN CS-0115787 [0,1,0,0,0,0|2,0,0]=3 117 B7R0.1 COCCOCCN CS-0115788 [0,1,0,0,0,0|2,0,0]=3 118 B7R0.1 COCCOCCN CS-0115790 [0,1,0,0,0,0|2,0,0]=3 119 B7R0.1 COCCOCCN CS-W008429 [0,1,0,0,0,0|2,0,0]=3 120 B7R0.1 COCCOCCO CS-0116122 [0,1,0,0,0,0|1,1,0]=3 121 B7R0.1 COCCOCCO CS-0644881 [0,1,0,0,0,0|1,1,0]=3 122 B7R0.1 COCCOCCO CS-0889987 [0,1,0,0,0,0|1,1,0]=3 123 B7R0.1 COCCOCCO CS-W013578 [0,1,0,0,0,0|1,1,0]=3 124 B7R0.1 COCCOCCS CS-0115760 [0,1,0,0,0,0|1,0,0]=2 125 B7R0.1 COCCOCCS CS-0115764 [0,1,0,0,0,0|1,0,0]=2 126 B7R0.1 COCCOCCS CS-0650914 [0,1,0,0,0,0|1,0,0]=2 127 B7R0.1 ClCCCCCCBr CS-W010503 [0,1,0,0,0,0|1,0,0]=2 128 B7R0.1 ClCCCCCCCl CS-W016259 [0,1,0,0,0,0|1,0,0]=2 129 B7R0.1 ClCCCCCCI CS-0059200 [0,1,0,0,0,0|1,0,0]=2 130 B7R0.1 ICCCCCCI CS-W011914 [0,1,0,0,0,0|1,0,0]=2 131 B7R0.1 N#CCCCCCBr CS-0158396 [0,1,0,0,0,0|1,0,1]=3 132 B7R0.1 N#CCCCCCN CS-0147655 [0,1,0,0,0,0|1,0,1]=3 133 B7R0.1 NCCCCCCBr CS-0158390 [0,1,0,0,0,0|1,0,0]=2 134 B7R0.1 NCCCCCCN CS-W015964 [0,1,0,0,0,0|1,0,0]=2 135 B7R0.1 NCCCCCCO CS-W007957 [0,1,0,0,0,0|0,1,0]=2 136 B7R0.1 NCCCCCCS CS-D0506 [0,1,0,0,0,0|0,0,0]=1 137 B7R0.1 NCCCNCCBr CS-W022895 [0,1,0,0,0,0|2,0,0]=3 138 B7R0.1 NCCCNCCO CS-0158337 [0,1,0,0,0,0|1,1,0]=3 139 B7R0.1 NCCCNCCS CS-7832 [0,1,0,0,0,0|1,0,0]=2 140 B7R0.1 NCCNCCCO CS-0199570 [0,1,0,0,0,0|1,1,0]=3 141 B7R0.1 NCCOCCON CS-1013820 [0,1,0,0,0,0|2,1,0]=4 142 B7R0.1 NCCOCCON CS-1038497 [0,1,0,0,0,0|2,1,0]=4 143 B7R0.1 NCCOCCON CS-1038500 [0,1,0,0,0,0|2,1,0]=4 144 B7R0.1 NCCSSCCN CS-0032055 [0,1,0,0,0,0|3,0,0]=4 145 B7R0.1 NCCSSCCN CS-0086613 [0,1,0,0,0,0|3,0,0]=4 146 B7R0.1 NCC[Se][Se]CCN CS-0158446 [0,1,0,0,0,0|3,0,0]=4 147 B7R0.1 OCCCCCCBr CS-0654104 [0,1,0,0,0,0|0,1,0]=2 148 B7R0.1 OCCCCCCBr CS-W017171 [0,1,0,0,0,0|0,1,0]=2 149 B7R0.1 OCCCCCCCl CS-B1599 [0,1,0,0,0,0|0,1,0]=2 150 B7R0.1 OCCCCCCO CS-W011221 [0,1,0,0,0,0|0,1,0]=2 151 B7R0.1 OCCSSCCO CS-0181622 [0,1,0,0,0,0|2,1,0]=4 152 B7R0.1 [N-]=[N+]=NCCCCN CS-0028502 [0,1,0,0,0,0|3,0,0]=4 153 B7R0.1 [N-]=[N+]=NCCCCN CS-0567236 [0,1,0,0,0,0|3,0,0]=4 154 B7R0.3 C#CC(O)CCCC CS-W011267 [0,1,0,0,0,0|1,0,1]=3 155 B7R0.3 CCCCC(=O)O[Na] CS-W007087 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.3 CCCCC(O)CO CS-W013596 [0,1,0,0,0,0|0,1,0]=2 157 B7R0.3 CCCC[C@@H](N)CO CS-0089933 [0,1,0,0,0,0|0,1,0]=2 158 B7R0.3 CCCC[C@@H](N)CO CS-0162184 [0,1,0,0,0,0|0,1,0]=2 159 B7R0.3 CCCC\C(O)=N\N CS-W013606 [0,1,0,0,0,0|2,0,1]=4 160 B7R0.3 CCCNC(=O)CCl CS-0074801 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.3 CCOCC(O)CO CS-0151429 [0,1,0,0,0,0|1,1,0]=3 162 B7R0.3 COC(=O)CCCBr CS-W004701 [0,1,0,0,0,0|2,0,1]=4 163 B7R0.3 COC(=O)CCCCl CS-0001466 [0,1,0,0,0,0|2,0,1]=4 164 B7R0.3 COC(=O)CCCI CS-0001467 [0,1,0,0,0,0|2,0,1]=4 165 B7R0.3 COC(=O)CCCN CS-W019991 [0,1,0,0,0,0|2,0,1]=4 166 B7R0.3 CSCC[C@H](N)CO CS-0020145 [0,1,0,0,0,0|1,1,0]=3 167 B7R0.3 C[C@@H](CN)CCCO CS-0368510 [0,1,0,0,0,0|1,1,0]=3 168 B7R0.4 CC(=O)CCCCCl CS-W013363 [0,1,0,0,0,0|1,0,1]=3 169 B7R0.4 CC(=O)OCCCCl CS-W017752 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.4 CC(=O)OCCCI CS-0166646 [0,1,0,0,0,0|2,0,1]=4 171 B7R0.4 CC(C)CCCCBr CS-0154231 [0,1,0,0,0,0|1,0,0]=2 172 B7R0.4 CC(C)CCCCO CS-W011227 [0,1,0,0,0,0|0,1,0]=2 173 B7R0.4 CC(O)CCCCO CS-0572924 [0,1,0,0,0,0|0,1,0]=2 174 B7R0.4 CC(O)CSCCO CS-0159777 [0,1,0,0,0,0|1,1,0]=3 175 B7R0.4 CCCCCB(O)O CS-W018820 [0,1,0,0,0,0|1,1,0]=3 176 B7R0.4 CCCCCC(C)O CS-W016595 [0,1,0,0,0,0|0,1,0]=2 177 B7R0.4 CCCCC[C@@H](C)O CS-0152365 [0,1,0,0,0,0|0,1,0]=2 178 B7R0.4 CCCCC[C@H](C)O CS-0179417 [0,1,0,0,0,0|0,1,0]=2 179 B7R0.4 CCCCNC(N)=O CS-0071736 [0,1,0,0,0,0|1,1,1]=4 180 B7R0.4 CCCCNC(N)=S CS-0132422 [0,1,0,0,0,0|1,0,2]=4 181 B7R0.4 CCCCOC(=S)[S-] CS-0187867 [0,1,0,0,0,0|1,0,2]=4 182 B7R0.4 CCCNCC(=O)O CS-0250530 [0,1,0,0,0,0|1,1,1]=4 183 B7R0.4 CCCOCC(=O)O CS-0152048 [0,1,0,0,0,0|1,1,1]=4 184 B7R0.4 CCCSCC(=O)O CS-0651549 [0,1,0,0,0,0|1,1,1]=4 185 B7R0.4 CN(C)CCCCCl CS-0059660 [0,1,0,0,0,0|2,0,0]=3 186 B7R0.4 CN(C)CCCCN CS-0206346 [0,1,0,0,0,0|2,0,0]=3 187 B7R0.4 CN(C)CCCCN CS-0669419 [0,1,0,0,0,0|2,0,0]=3 188 B7R0.4 CN(C)CCCCO CS-W022016 [0,1,0,0,0,0|1,1,0]=3 189 B7R0.4 CNCCCC(=O)O CS-0096860 [0,1,0,0,0,0|1,1,1]=4 190 B7R0.4 CNCCCC(=O)O CS-0133777 [0,1,0,0,0,0|1,1,1]=4 191 B7R0.4 COCCCC(=O)O CS-W001021 [0,1,0,0,0,0|1,1,1]=4 192 B7R0.4 NCCCCC(=O)O CS-0181832 [0,1,0,0,0,0|1,1,1]=4 193 B7R0.4 NCCCCC(=O)O CS-W016594 [0,1,0,0,0,0|1,1,1]=4 194 B7R0.4 O=C(O)CCCCBr CS-W017172 [0,1,0,0,0,0|1,1,1]=4 195 B7R0.4 O=C(O)CCCCCl CS-W022362 [0,1,0,0,0,0|1,1,1]=4 196 B7R0.4 O=C(O)COCCS CS-0115755 [0,1,0,0,0,0|2,0,1]=4 197 B7R0.4 O=C(O)COCCS CS-0115757 [0,1,0,0,0,0|2,0,1]=4 198 B7R0.7 CC(CCBr)CCBr CS-0182622 [0,1,0,0,0,0|2,0,0]=3 199 B7R0.7 CC(CCO)CCO CS-0188324 [0,1,0,0,0,0|1,1,0]=3 200 B7R0.7 CCCC(Br)CCC CS-0106173 [0,1,0,0,0,0|1,0,0]=2 201 B7R0.7 CCCC(O)CCC CS-0132313 [0,1,0,0,0,0|1,0,0]=2 202 B7R0.7 CCC[C@H](N)CCO CS-0152589 [0,1,0,0,0,0|0,1,0]=2 203 B7R0.7 CCNC(=O)CCCl CS-0151980 [0,1,0,0,0,0|2,0,1]=4 204 B7R0.7 CCOC(=O)CCBr CS-W007449 [0,1,0,0,0,0|2,0,1]=4 205 B7R0.7 CCOC(=O)CCI CS-W002223 [0,1,0,0,0,0|2,0,1]=4 206 B7R0.7 CCOC(=O)CCN CS-W019943 [0,1,0,0,0,0|2,0,1]=4 207 B7R0.7 CCOC(=O)CCO CS-0139545 [0,1,0,0,0,0|1,1,1]=4 208 B7R0.7 CN(CCN)CCN CS-0151248 [0,1,0,0,0,0|3,0,0]=4 209 B7R0.7 COCC(N)COC CS-W005488 [0,1,0,0,0,0|3,0,0]=4 210 B7R0.7 COCC(O)COC CS-W018661 [0,1,0,0,0,0|3,0,0]=4 211 B7R0.7 O=C(CCCl)CCCl CS-W004439 [0,1,0,0,0,0|2,0,1]=4 212 B7R0.7 OCCC(O)CCO CS-0469963 [0,1,0,0,0,0|1,1,0]=3 213 B7R1.1 BrCC1CCCC1 CS-W004985 [0,0,0,1,0,0|1,0,0]=2 214 B7R1.1 BrCC1CCOC1 CS-W004268 [0,0,0,1,0,0|2,0,0]=3 215 B7R1.1 BrCC1OCCO1 CS-W021428 [0,0,0,1,0,0|2,1,0]=4 216 B7R1.1 C#CC1CCOC1 CS-0170800 [0,0,0,1,0,0|2,0,1]=4 217 B7R1.1 CCC1CCCN1 CS-0454761 [0,0,0,1,0,0|1,0,0]=2 218 B7R1.1 CC[C@H]1CCCN1 CS-0197308 [0,0,0,1,0,0|1,0,0]=2 219 B7R1.1 CN[C@H]1CCOC1 CS-0053255 [0,0,0,1,0,0|3,0,0]=4 220 B7R1.1 COC1=NCCC1 CS-W022401 [0,0,0,1,0,0|2,0,1]=4 221 B7R1.1 COC1CCNC1 CS-0039937 [0,0,0,1,0,0|3,0,0]=4 222 B7R1.1 COC1CCNC1 CS-W004880 [0,0,0,1,0,0|3,0,0]=4 223 B7R1.1 CO[C@@H]1CCNC1 CS-0053757 [0,0,0,1,0,0|3,0,0]=4 224 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [0,0,0,1,0,0|3,0,0]=4 225 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [0,0,0,1,0,0|3,0,0]=4 226 B7R1.1 ClCC1OCCO1 CS-0137170 [0,0,0,1,0,0|2,1,0]=4 227 B7R1.1 Cl[Au][SH]1CCCC1 CS-0111128 [0,0,0,1,0,0|3,0,0]=4 228 B7R1.1 FC[C@@H]1CCCN1 CS-0053450 [0,0,0,1,0,0|2,0,0]=3 229 B7R1.1 ICC1CCCC1 CS-0309298 [0,0,0,1,0,0|1,0,0]=2 230 B7R1.1 ICC1CCOC1 CS-W004269 [0,0,0,1,0,0|2,0,0]=3 231 B7R1.1 N#CC1CCCC1 CS-0072286 [0,0,0,1,0,0|1,0,1]=3 232 B7R1.1 N#CC1CCOC1 CS-W004270 [0,0,0,1,0,0|2,0,1]=4 233 B7R1.1 N#CN1CCCC1 CS-0155293 [0,0,0,1,0,0|2,0,1]=4 234 B7R1.1 N#C[C@@H]1CCCN1 CS-W002962 [0,0,0,1,0,0|2,0,1]=4 235 B7R1.1 N#C[C@@H]1CCNC1 CS-0053310 [0,0,0,1,0,0|2,0,1]=4 236 B7R1.1 N#C[C@H]1CCCN1 CS-0102312 [0,0,0,1,0,0|2,0,1]=4 237 B7R1.1 N#C[C@H]1CCNC1 CS-0053245 [0,0,0,1,0,0|2,0,1]=4 238 B7R1.1 NCC1CCCC1 CS-D0472 [0,0,0,1,0,0|1,0,0]=2 239 B7R1.1 NCC1CCCN1 CS-0019253 [0,0,0,1,0,0|2,0,0]=3 240 B7R1.1 NCC1CCOC1 CS-W004787 [0,0,0,1,0,0|2,0,0]=3 241 B7R1.1 NC[C@@H]1CCCO1 CS-0438150 [0,0,0,1,0,0|1,1,0]=3 242 B7R1.1 NC[C@@H]1CCCO1 CS-W011316 [0,0,0,1,0,0|1,1,0]=3 243 B7R1.1 NC[C@@H]1CCOC1 CS-0053039 [0,0,0,1,0,0|2,0,0]=3 244 B7R1.1 NC[C@@H]1CCOC1 CS-0053252 [0,0,0,1,0,0|2,0,0]=3 245 B7R1.1 NC[C@H]1CCOC1 CS-0053315 [0,0,0,1,0,0|2,0,0]=3 246 B7R1.1 NNC1CCCC1 CS-D0525 [0,0,0,1,0,0|2,0,0]=3 247 B7R1.1 O=CC1CCOC1 CS-W004272 [0,0,0,1,0,0|1,1,1]=4 248 B7R1.1 O=CN1CCCC1 CS-0155290 [0,0,0,1,0,0|1,1,1]=4 249 B7R1.1 O=NN1CCCC1 CS-0199565 [0,0,0,1,0,0|2,1,0]=4 250 B7R1.1 OCC1CC=CC1 CS-W003141 [0,0,0,1,0,0|0,1,2]=4 251 B7R1.1 OCC1CCCC1 CS-W001923 [0,0,0,1,0,0|0,1,0]=2 252 B7R1.1 OCC1CCCN1 CS-W007622 [0,0,0,1,0,0|1,1,0]=3 253 B7R1.1 OCC1CCNC1 CS-W019882 [0,0,0,1,0,0|1,1,0]=3 254 B7R1.1 OCC1CCOC1 CS-D1159 [0,0,0,1,0,0|1,1,0]=3 255 B7R1.1 OCC1OCCO1 CS-W019186 [0,0,0,1,0,0|2,1,0]=4 256 B7R1.1 OC[C@@H]1CCCN1 CS-D1460 [0,0,0,1,0,0|1,1,0]=3 257 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [0,0,0,1,0,0|1,1,0]=3 258 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [0,0,0,1,0,0|1,1,0]=3 259 B7R1.1 OC[C@H]1CCCN1 CS-D1509 [0,0,0,1,0,0|1,1,0]=3 260 B7R1.1 OC[C@H]1CCNC1 CS-W008960 [0,0,0,1,0,0|1,1,0]=3 261 B7R1.1 ON=C1CCCC1 CS-W013717 [0,0,0,1,0,0|1,1,1]=4 262 B7R1.1 [C@@H]1(CN)CCCN1 CS-0043760 [0,0,0,1,0,0|2,0,0]=3 263 B7R1.1 [C@H]1(CN)CCCO1 CS-W011317 [0,0,0,1,0,0|1,1,0]=3 264 B7R1.1 [C@H]1(CO)CCCO1 CS-W013695 [0,0,0,1,0,0|1,1,0]=3 265 B7R1.3 BrC1=CCCCC1 CS-0155410 [0,0,0,1,0,0|1,0,2]=4 266 B7R1.3 BrC1C=CCCC1 CS-0173469 [0,0,0,1,0,0|1,0,2]=4 267 B7R1.3 BrC1CCCCC1 CS-W017925 [0,0,0,1,0,0|1,0,0]=2 268 B7R1.3 BrC1CCCOC1 CS-W019418 [0,0,0,1,0,0|2,0,0]=3 269 B7R1.3 BrC1CCNCC1 CS-W014130 [0,0,0,1,0,0|2,0,0]=3 270 B7R1.3 BrC1CCOCC1 CS-W003396 [0,0,0,1,0,0|2,0,0]=3 271 B7R1.3 C=C1CCNCC1 CS-D0508 [0,0,0,1,0,0|2,0,1]=4 272 B7R1.3 CC1=CCCNC1 CS-0050445 [0,0,0,1,0,0|2,0,1]=4 273 B7R1.3 CC1=CCNCC1 CS-W004399 [0,0,0,1,0,0|2,0,1]=4 274 B7R1.3 CC1=NCCCO1 CS-1006941 [0,0,0,1,0,0|1,1,1]=4 275 B7R1.3 CC1CCOCC1 CS-0233092 [0,0,0,1,0,0|2,0,0]=3 276 B7R1.3 CC1CCOCO1 CS-0181838 [0,0,0,1,0,0|1,1,0]=3 277 B7R1.3 CC1CNCCO1 CS-0152670 [0,0,0,1,0,0|1,1,0]=3 278 B7R1.3 CC1CNCCO1 CS-D1584 [0,0,0,1,0,0|1,1,0]=3 279 B7R1.3 CC1COCCN1 CS-W009058 [0,0,0,1,0,0|2,0,0]=3 280 B7R1.3 CC1SCCCS1 CS-0094743 [0,0,0,1,0,0|1,0,0]=2 281 B7R1.3 CN1CCNCC1 CS-W017563 [0,0,0,1,0,0|3,0,0]=4 282 B7R1.3 C[C@@H]1CCCCN1 CS-W019137 [0,0,0,1,0,0|1,0,0]=2 283 B7R1.3 C[C@@H]1CCCNC1 CS-W021135 [0,0,0,1,0,0|2,0,0]=3 284 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [0,0,0,1,0,0|2,0,0]=3 285 B7R1.3 C[C@@H]1CNCCO1 CS-0019313 [0,0,0,1,0,0|1,1,0]=3 286 B7R1.3 C[C@@H]1CNCCO1 CS-W018656 [0,0,0,1,0,0|1,1,0]=3 287 B7R1.3 C[C@@H]1COCCN1 CS-D1634 [0,0,0,1,0,0|2,0,0]=3 288 B7R1.3 C[C@@H]1COCCN1 CS-W020732 [0,0,0,1,0,0|2,0,0]=3 289 B7R1.3 C[C@H]1CCCCN1 CS-0145867 [0,0,0,1,0,0|1,0,0]=2 290 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,0,0,1,0,0|1,1,0]=3 291 B7R1.3 C[C@H]1COCCN1 CS-M0392 [0,0,0,1,0,0|2,0,0]=3 292 B7R1.3 C[C@H]1COCCN1 CS-W008644 [0,0,0,1,0,0|2,0,0]=3 293 B7R1.3 ClC1CCCCC1 CS-0198086 [0,0,0,1,0,0|1,0,0]=2 294 B7R1.3 ClC1CCNCC1 CS-W006160 [0,0,0,1,0,0|2,0,0]=3 295 B7R1.3 ClC1CCOCC1 CS-W016579 [0,0,0,1,0,0|2,0,0]=3 296 B7R1.3 FC1CCCNC1 CS-W001632 [0,0,0,1,0,0|2,0,0]=3 297 B7R1.3 FC1CCNCC1 CS-0040905 [0,0,0,1,0,0|2,0,0]=3 298 B7R1.3 FC1CCNCC1 CS-0101735 [0,0,0,1,0,0|2,0,0]=3 299 B7R1.3 F[C@@H]1CCCNC1 CS-0053327 [0,0,0,1,0,0|2,0,0]=3 300 B7R1.3 IC1CCCCC1 CS-0148628 [0,0,0,1,0,0|1,0,0]=2 301 B7R1.3 IC1CCNCC1 CS-0145320 [0,0,0,1,0,0|2,0,0]=3 302 B7R1.3 IC1CCOCC1 CS-W004278 [0,0,0,1,0,0|2,0,0]=3 303 B7R1.3 NC1CC=CCC1 CS-0076943 [0,0,0,1,0,0|1,0,2]=4 304 B7R1.3 NC1CCCCC1 CS-W013335 [0,0,0,1,0,0|1,0,0]=2 305 B7R1.3 NC1CCCNC1 CS-W002078 [0,0,0,1,0,0|2,0,0]=3 306 B7R1.3 NC1CCCOC1 CS-0044162 [0,0,0,1,0,0|2,0,0]=3 307 B7R1.3 NC1CCCOC1 CS-0069616 [0,0,0,1,0,0|2,0,0]=3 308 B7R1.3 NC1CCOCC1 CS-B0654 [0,0,0,1,0,0|2,0,0]=3 309 B7R1.3 NC1CCOCC1 CS-W002372 [0,0,0,1,0,0|2,0,0]=3 310 B7R1.3 NC1CCSCC1 CS-0043960 [0,0,0,1,0,0|2,0,0]=3 311 B7R1.3 NC1CCSCC1 CS-W000397 [0,0,0,1,0,0|2,0,0]=3 312 B7R1.3 NN1CCCCC1 CS-W007639 [0,0,0,1,0,0|2,0,0]=3 313 B7R1.3 NN1CCOCC1 CS-W001074 [0,0,0,1,0,0|3,0,0]=4 314 B7R1.3 N[C@@H]1CCCNC1 CS-B0670 [0,0,0,1,0,0|2,0,0]=3 315 B7R1.3 N[C@@H]1CCCNC1 CS-W009139 [0,0,0,1,0,0|2,0,0]=3 316 B7R1.3 N[C@H]1CCCOC1 CS-W018654 [0,0,0,1,0,0|2,0,0]=3 317 B7R1.3 O=C1CCCCN1 CS-W022933 [0,0,0,1,0,0|1,1,1]=4 318 B7R1.3 O=C1CCCCO1 CS-W013713 [0,0,0,1,0,0|1,1,1]=4 319 B7R1.3 O=C1CCCNC1 CS-0048756 [0,0,0,1,0,0|1,1,1]=4 320 B7R1.3 O=C1CCCNC1 CS-0185548 [0,0,0,1,0,0|1,1,1]=4 321 B7R1.3 O=C1CCCOC1 CS-D1576 [0,0,0,1,0,0|1,1,1]=4 322 B7R1.3 O=C1CCCSC1 CS-D0446 [0,0,0,1,0,0|1,1,1]=4 323 B7R1.3 O=C1CCOCC1 CS-D0601 [0,0,0,1,0,0|1,1,1]=4 324 B7R1.3 O=C1CCSCC1 CS-W002007 [0,0,0,1,0,0|1,1,1]=4 325 B7R1.3 O=S1CCNCC1 CS-0043941 [0,0,0,1,0,0|2,1,0]=4 326 B7R1.3 OC1C=CCCC1 CS-W011333 [0,0,0,1,0,0|0,1,2]=4 327 B7R1.3 OC1CC=CCC1 CS-0161778 [0,0,0,1,0,0|0,1,2]=4 328 B7R1.3 OC1CCCCC1 CS-0017198 [0,0,0,1,0,0|0,1,0]=2 329 B7R1.3 OC1CCCCO1 CS-0015921 [0,0,0,1,0,0|1,1,0]=3 330 B7R1.3 OC1CCCNC1 CS-D1393 [0,0,0,1,0,0|1,1,0]=3 331 B7R1.3 OC1CCCNC1 CS-W013706 [0,0,0,1,0,0|1,1,0]=3 332 B7R1.3 OC1CCCOC1 CS-D1560 [0,0,0,1,0,0|1,1,0]=3 333 B7R1.3 OC1CCNCC1 CS-W002165 [0,0,0,1,0,0|1,1,0]=3 334 B7R1.3 OC1CCNCC1 CS-W004328 [0,0,0,1,0,0|1,1,0]=3 335 B7R1.3 OC1CCOCC1 CS-W004264 [0,0,0,1,0,0|1,1,0]=3 336 B7R1.3 OC1CCSCC1 CS-D1275 [0,0,0,1,0,0|1,1,0]=3 337 B7R1.3 OC1CNCCO1 CS-W006148 [0,0,0,1,0,0|2,1,0]=4 338 B7R1.3 OC1COCOC1 CS-W016639 [0,0,0,1,0,0|2,1,0]=4 339 B7R1.3 ON1CCCCC1 CS-W016646 [0,0,0,1,0,0|1,1,0]=3 340 B7R1.3 O[C@@H]1CCCNC1 CS-0053770 [0,0,0,1,0,0|1,1,0]=3 341 B7R1.3 O[C@H]1CCCNC1 CS-0029964 [0,0,0,1,0,0|1,1,0]=3 342 B7R1.3 O[C@H]1CCCNC1 CS-W003070 [0,0,0,1,0,0|1,1,0]=3 343 B7R1.3 S=C1CCCCC1 CS-0661522 [0,0,0,1,0,0|0,0,2]=3 344 B7R1.3 [C@@H]1(N)CCCOC1 CS-W006989 [0,0,0,1,0,0|2,0,0]=3 345 B7R1.3 [C@@H]1(O)CCCNC1 CS-W013330 [0,0,0,1,0,0|1,1,0]=3 346 B7R1.3 [C@H]1(C)CCCCN1 CS-0044046 [0,0,0,1,0,0|1,0,0]=2 347 B7R1.3 [C@H]1(C)CCCNC1 CS-W006435 [0,0,0,1,0,0|2,0,0]=3 348 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,0,0,1,0,0|2,0,0]=3 349 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [0,0,0,1,0,0|1,1,0]=3 350 B7R1.4 CC1CCNC1=O CS-W004958 [0,0,0,1,0,0|1,1,1]=4 351 B7R1.4 CC1CCOC1=O CS-0152675 [0,0,0,1,0,0|1,1,1]=4 352 B7R1.4 CC1OCCC1=O CS-W011324 [0,0,0,1,0,0|1,1,1]=4 353 B7R1.4 CC1OCCC1S CS-W013594 [0,0,0,1,0,0|1,0,0]=2 354 B7R1.4 CC1SCCC1=O CS-W011228 [0,0,0,1,0,0|1,1,1]=4 355 B7R1.4 CN1CCCC1=O CS-0017258 [0,0,0,1,0,0|1,1,1]=4 356 B7R1.4 CN1CCCC1=S CS-W013619 [0,0,0,1,0,0|1,0,2]=4 357 B7R1.4 C[C@H]1CNC[C@@H]1O CS-0035605 [0,0,0,1,0,0|1,1,0]=3 358 B7R1.4 F[C@H]1CNC[C@H]1F CS-0012663 [0,0,0,1,0,0|3,0,0]=4 359 B7R1.4 N[C@@H]1CCC[C@@H]1O CS-W003557 [0,0,0,1,0,0|1,1,0]=3 360 B7R1.4 N[C@@H]1CCC[C@H]1O CS-0130454 [0,0,0,1,0,0|1,1,0]=3 361 B7R1.4 N[C@@H]1CCC[C@H]1O CS-W008557 [0,0,0,1,0,0|1,1,0]=3 362 B7R1.4 N[C@@H]1CNC[C@H]1F CS-0094714 [0,0,0,1,0,0|3,0,0]=4 363 B7R1.4 N[C@@H]1COC[C@@H]1N CS-0049652 [0,0,0,1,0,0|3,0,0]=4 364 B7R1.4 N[C@H]1CCC[C@@H]1O CS-W004139 [0,0,0,1,0,0|1,1,0]=3 365 B7R1.4 N[C@H]1CCC[C@H]1N CS-0049664 [0,0,0,1,0,0|2,0,0]=3 366 B7R1.4 N[C@H]1CCC[C@H]1O CS-W003393 [0,0,0,1,0,0|1,1,0]=3 367 B7R1.4 N[C@H]1COC[C@@H]1O CS-0046711 [0,0,0,1,0,0|2,1,0]=4 368 B7R1.4 N[C@H]1COC[C@@H]1O CS-0047593 [0,0,0,1,0,0|2,1,0]=4 369 B7R1.4 O[C@@H]1CCC[C@H]1O CS-W005508 [0,0,0,1,0,0|1,1,0]=3 370 B7R1.4 O[C@@H]1CNC[C@@H]1F CS-0047354 [0,0,0,1,0,0|2,1,0]=4 371 B7R1.4 O[C@@H]1CNC[C@H]1F CS-0054190 [0,0,0,1,0,0|2,1,0]=4 372 B7R1.4 O[C@@H]1CNC[C@H]1O CS-0053303 [0,0,0,1,0,0|2,1,0]=4 373 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0042168 [0,0,0,1,0,0|2,1,0]=4 374 B7R1.4 O[C@H]1CNC[C@@H]1F CS-0058680 [0,0,0,1,0,0|2,1,0]=4 375 B7R1.4 O[C@H]1CNC[C@H]1O CS-W022618 [0,0,0,1,0,0|2,1,0]=4 376 B7R1.4 O[C@H]1COC[C@H]1O CS-0049648 [0,0,0,1,0,0|2,1,0]=4 377 B7R1.4 [C@H]1(O)CNC[C@@H]1O CS-W005107 [0,0,0,1,0,0|2,1,0]=4 378 B7R1.6 COCC1CNC1 CS-W023140 [0,0,0,1,0,0|3,0,0]=4 379 B7R1.6 N#CCN1CCC1 CS-0184229 [0,0,0,1,0,0|2,0,1]=4 380 B7R1.6 NCCN1CCC1 CS-0127626 [0,0,0,1,0,0|2,0,0]=3 381 B7R1.6 NOCC1CCC1 CS-0145228 [0,0,0,1,0,0|2,0,0]=3 382 B7R1.6 OCCC1COC1 CS-0052216 [0,0,0,1,0,0|1,1,0]=3 383 B7R1.6 OCCN1CCC1 CS-D0268 [0,0,0,1,0,0|1,1,0]=3 384 B7R1.7 BrCC#CC1CC1 CS-0043911 [0,0,0,1,0,0|1,0,2]=4 385 B7R1.7 OCC#CC1CC1 CS-0051385 [0,0,0,1,0,0|0,1,2]=4 386 B7R1.7 OCCNC1CC1 CS-0072588 [0,0,0,1,0,0|1,1,0]=3 387 B7R1.8 CN1CC[C@@H]1CO CS-0172773 [0,0,0,1,0,0|1,1,0]=3 388 B7R1.9 OC[C@H]1C[C@H]1CO CS-0053077 [0,0,0,1,0,0|1,1,0]=3 389 B7R1.24 C1CNCCNC1 CS-W007768 [0,0,0,1,0,0|2,0,0]=3 390 B7R1.24 C1CNCCOC1 CS-0171615 [0,0,0,1,0,0|1,1,0]=3 391 B7R1.24 C1CNCCOC1 CS-B1101 [0,0,0,1,0,0|1,1,0]=3 392 B4R0.2 BrCCCI CS-0199040 [2,0,0,0,0,0|2,0,0]=4 393 B4R0.2 CCCCN CS-0214149 [2,0,0,0,0,0|1,0,0]=3 394 B4R0.2 CCCNN CS-0152064 [2,0,0,0,0,0|2,0,0]=4 395 B4R0.2 CCNCC CS-0160324 [2,0,0,0,0,0|1,0,0]=3 396 B4R0.2 CNCCBr CS-0042068 [2,0,0,0,0,0|2,0,0]=4 397 B4R0.2 CNCCCl CS-W019383 [2,0,0,0,0,0|2,0,0]=4 398 B4R0.2 CNCCO CS-0542090 [2,0,0,0,0,0|1,1,0]=4 399 B4R0.2 CNCCO CS-W008875 [2,0,0,0,0,0|1,1,0]=4 400 B4R0.2 COCCBr CS-0015336 [2,0,0,0,0,0|2,0,0]=4 401 B4R0.2 COCCI CS-0139205 [2,0,0,0,0,0|2,0,0]=4 402 B4R0.2 COCCO CS-0179325 [2,0,0,0,0,0|1,1,0]=4 403 B4R0.2 COCCO CS-0200432 [2,0,0,0,0,0|1,1,0]=4 404 B4R0.2 CSCCN CS-0063136 [2,0,0,0,0,0|2,0,0]=4 405 B4R0.2 CSCCO CS-0150086 [2,0,0,0,0,0|1,1,0]=4 406 B4R0.2 CSCSC CS-W013673 [2,0,0,0,0,0|2,0,0]=4 407 B4R0.2 ClCCCI CS-W018493 [2,0,0,0,0,0|2,0,0]=4 408 B4R0.2 FCCCI CS-0121313 [2,0,0,0,0,0|2,0,0]=4 409 B4R0.2 ICCCI CS-W012156 [2,0,0,0,0,0|2,0,0]=4 410 B4R0.2 NCCCBr CS-W008585 [2,0,0,0,0,0|2,0,0]=4 411 B4R0.2 NCCCCl CS-0015792 [2,0,0,0,0,0|2,0,0]=4 412 B4R0.2 NCCCN CS-0214047 [2,0,0,0,0,0|2,0,0]=4 413 B4R0.2 NCCCN CS-0214116 [2,0,0,0,0,0|2,0,0]=4 414 B4R0.2 NCCCO CS-W020089 [2,0,0,0,0,0|1,1,0]=4 415 B4R0.2 OCCCBr CS-W007337 [2,0,0,0,0,0|1,1,0]=4 416 B4R0.2 OCCCF CS-0170820 [2,0,0,0,0,0|1,1,0]=4 417 B4R0.2 OCCCI CS-W015993 [2,0,0,0,0,0|1,1,0]=4 418 B4R0.2 OCCCO CS-W018490 [2,0,0,0,0,0|1,1,0]=4 419 B6R0.1 C#CC(O)CCC CS-W016658 [1,1,0,0,0,0|0,0,2]=4 420 B6R0.1 CC(CO)CCN CS-0154050 [1,1,0,0,0,0|1,1,0]=4 421 B6R0.1 CC(CO)CCO CS-0517219 [1,1,0,0,0,0|1,1,0]=4 422 B6R0.1 CCC(=O)COC CS-0213932 [1,1,0,0,0,0|1,0,1]=4 423 B6R0.1 CCCC(Cl)CC CS-0102884 [1,1,0,0,0,0|0,0,0]=2 424 B6R0.1 CCCC(N)C#N CS-0255763 [1,1,0,0,0,0|1,0,1]=4 425 B6R0.1 CCCC(O)CO CS-0017222 [1,1,0,0,0,0|0,1,0]=3 426 B6R0.1 CCC[C@H](N)CO CS-M1841 [1,1,0,0,0,0|0,1,0]=3 427 B6R0.1 CCC[C@H](N)CO CS-M2256 [1,1,0,0,0,0|0,1,0]=3 428 B6R0.1 CCOC(C)CC CS-0196425 [1,1,0,0,0,0|1,0,0]=3 429 B6R0.1 CNC(C)COC CS-0301311 [1,1,0,0,0,0|2,0,0]=4 430 B6R0.1 CNCC(O)CO CS-0151017 [1,1,0,0,0,0|1,1,0]=4 431 B6R0.1 COC(=O)CCS CS-0000049 [1,1,0,0,0,0|1,0,1]=4 432 B6R0.1 COC(C)CCO CS-W013686 [1,1,0,0,0,0|1,1,0]=4 433 B6R0.1 COCC(N)CO CS-0106469 [1,1,0,0,0,0|1,1,0]=4 434 B6R0.1 COCC(O)CN CS-0106474 [1,1,0,0,0,0|2,0,0]=4 435 B6R0.1 OCCC(O)CO CS-0008443 [1,1,0,0,0,0|1,1,0]=4 436 B6R0.1 OCC[C@H](O)CO CS-0000034 [1,1,0,0,0,0|1,1,0]=4 437 B6R0.4 C=CCCC(C)O CS-0513969 [1,1,0,0,0,0|0,0,2]=4 438 B6R0.4 CC(=O)CCCCl CS-W013569 [1,1,0,0,0,0|1,0,1]=4 439 B6R0.4 CC(=O)CCCO CS-0020001 [1,1,0,0,0,0|0,1,1]=4 440 B6R0.4 CC(Br)CCCBr CS-0204659 [1,1,0,0,0,0|1,0,0]=3 441 B6R0.4 CC(C)CCCBr CS-0154233 [1,1,0,0,0,0|1,0,0]=3 442 B6R0.4 CC(C)CCCO CS-W007511 [1,1,0,0,0,0|0,1,0]=3 443 B6R0.4 CC(C)NCCCl CS-W006300 [1,1,0,0,0,0|2,0,0]=4 444 B6R0.4 CC(C)NCCN CS-0199017 [1,1,0,0,0,0|2,0,0]=4 445 B6R0.4 CC(C)NCCO CS-0076304 [1,1,0,0,0,0|1,1,0]=4 446 B6R0.4 CC(C)OCCBr CS-W018660 [1,1,0,0,0,0|2,0,0]=4 447 B6R0.4 CC(O)CCCO CS-0154051 [1,1,0,0,0,0|0,1,0]=3 448 B6R0.4 CCCCB(O)O CS-W000932 [1,1,0,0,0,0|1,1,0]=4 449 B6R0.4 CCCCC(=N)N CS-0122242 [1,1,0,0,0,0|1,0,1]=4 450 B6R0.4 CCCCC(N)=S CS-0248646 [1,1,0,0,0,0|0,0,2]=4 451 B6R0.4 CCCCS(=O)[O-] CS-0851776 [1,1,0,0,0,0|1,1,0]=4 452 B6R0.4 CCCC[C@@H](C)O CS-0179419 [1,1,0,0,0,0|0,0,0]=2 453 B6R0.4 CCCC[C@H](C)O CS-0179420 [1,1,0,0,0,0|0,0,0]=2 454 B6R0.4 CCCNC(C)=O CS-0246738 [1,1,0,0,0,0|1,0,1]=4 455 B6R0.4 CCNCC(C)C CS-0071534 [1,1,0,0,0,0|1,0,0]=3 456 B6R0.4 CN(C)CCCBr CS-W003771 [1,1,0,0,0,0|2,0,0]=4 457 B6R0.4 CN(C)CCCCl CS-W004690 [1,1,0,0,0,0|2,0,0]=4 458 B6R0.4 CN(C)CCCCl CS-W019575 [1,1,0,0,0,0|2,0,0]=4 459 B6R0.4 CN(C)CCCN CS-0214111 [1,1,0,0,0,0|2,0,0]=4 460 B6R0.4 CNCCC(C)C CS-0039334 [1,1,0,0,0,0|1,0,0]=3 461 B6R0.4 CNCCN(C)C CS-W022914 [1,1,0,0,0,0|2,0,0]=4 462 B6R0.4 CS(=O)CCCN CS-0286765 [1,1,0,0,0,0|2,0,0]=4 463 B6R0.4 CSCCC(C)=O CS-0206726 [1,1,0,0,0,0|1,0,1]=4 464 B6R0.4 C[C@@H](N)CCCO CS-0634445 [1,1,0,0,0,0|0,1,0]=3 465 B6R0.4 C[C@H](N)CCCO CS-0652529 [1,1,0,0,0,0|0,1,0]=3 466 B8R0.1 CCCCC(O)CCC CS-0362569 [0,2,0,0,0,0|1,0,0]=3 467 B8R0.1 CCCCN(C)CCO CS-0132259 [0,2,0,0,0,0|0,1,0]=3 468 B8R0.1 CCOC(=O)CCCBr CS-W020133 [0,2,0,0,0,0|1,0,1]=4 469 B8R0.1 CCOC(=O)CCCI CS-0029516 [0,2,0,0,0,0|1,0,1]=4 470 B8R0.1 CCOC(=O)CCCN CS-W010794 [0,2,0,0,0,0|1,0,1]=4 471 B8R0.4 BrCCCCCCCBr CS-W010166 [0,2,0,0,0,0|1,0,0]=3 472 B8R0.4 BrCCCOCCCBr CS-0526980 [0,2,0,0,0,0|1,0,0]=3 473 B8R0.4 C#CCCCCCCBr CS-0648097 [0,2,0,0,0,0|1,0,0]=3 474 B8R0.4 C#CCCCCCCO CS-W008554 [0,2,0,0,0,0|0,1,0]=3 475 B8R0.4 C=CCCCCCCBr CS-W010733 [0,2,0,0,0,0|1,0,0]=3 476 B8R0.4 C=CCCCCCCO CS-0185603 [0,2,0,0,0,0|0,1,0]=3 477 B8R0.4 CCCC=C=CCCO CS-1173689 [0,2,0,0,0,0|0,1,1]=4 478 B8R0.4 CCCCC#CCCO CS-0315148 [0,2,0,0,0,0|0,1,0]=3 479 B8R0.4 CCCCCCCC=O CS-0138976 [0,2,0,0,0,0|0,1,0]=3 480 B8R0.4 CCCCCCCCBr CS-0076039 [0,2,0,0,0,0|1,0,0]=3 481 B8R0.4 CCCCCCCCI CS-0188391 [0,2,0,0,0,0|1,0,0]=3 482 B8R0.4 CCCCCCCCN CS-0076038 [0,2,0,0,0,0|1,0,0]=3 483 B8R0.4 CCCCCCCCN CS-0179378 [0,2,0,0,0,0|1,0,0]=3 484 B8R0.4 CCCCCCCCO CS-0076037 [0,2,0,0,0,0|0,1,0]=3 485 B8R0.4 CCCCC\C=C\C=O CS-0200283 [0,2,0,0,0,0|0,1,1]=4 486 B8R0.4 CCCCC\C=C\CO CS-0152366 [0,2,0,0,0,0|0,1,0]=3 487 B8R0.4 CCCCOCCCN CS-0130475 [0,2,0,0,0,0|1,0,0]=3 488 B8R0.4 CCCCSCCCC CS-0255960 [0,2,0,0,0,0|1,0,0]=3 489 B8R0.4 COCCNCCOC CS-D1692 [0,2,0,0,0,0|1,1,0]=4 490 B8R0.4 COCCOCCOC CS-0017205 [0,2,0,0,0,0|1,1,0]=4 491 B8R0.4 COCCOCCOC CS-0099019 [0,2,0,0,0,0|1,1,0]=4 492 B8R0.4 ClCCCOCCCCl CS-0169240 [0,2,0,0,0,0|1,0,0]=3 493 B8R0.4 NCCCCCCCN CS-W009537 [0,2,0,0,0,0|1,0,0]=3 494 B8R0.4 NCCCCCCCO CS-0088962 [0,2,0,0,0,0|0,1,0]=3 495 B8R0.4 NCCCOCCCN CS-0207652 [0,2,0,0,0,0|1,0,0]=3 496 B8R0.4 NCCCOCCCO CS-0147757 [0,2,0,0,0,0|0,1,0]=3 497 B8R0.4 OCCCCCCCBr CS-W008425 [0,2,0,0,0,0|0,1,0]=3 498 B8R0.4 OCCCCCCCO CS-W013404 [0,2,0,0,0,0|0,1,0]=3 499 B8R0.4 OCCCNCCCO CS-0186731 [0,2,0,0,0,0|0,1,0]=3 500 B8R0.4 OCCCOCCCCl CS-0147762 [0,2,0,0,0,0|0,1,0]=3 501 B8R0.4 OCCCOCCCO CS-0131092 [0,2,0,0,0,0|0,1,0]=3 502 B8R0.4 [N-]=[N+]=NCCCCCN CS-0626851 [0,2,0,0,0,0|2,0,0]=4 503 B8R0.6 C#CC(O)CCCCC CS-W011154 [0,2,0,0,0,0|0,1,0]=3 504 B8R0.6 C=CC(=O)CCCCC CS-0168504 [0,2,0,0,0,0|0,1,1]=4 505 B8R0.6 C=CC(O)CCCCC CS-W011126 [0,2,0,0,0,0|0,1,0]=3 506 B8R0.6 CCCCCC(=O)NN CS-0152328 [0,2,0,0,0,0|0,1,1]=4 507 B8R0.6 CCCCCC(O)CC CS-0152331 [0,2,0,0,0,0|0,1,0]=3 508 B8R0.6 CCCCC[C@@H](O)CC CS-0464840 [0,2,0,0,0,0|0,1,0]=3 509 B8R0.6 CCCCNC(=O)CCl CS-0116592 [0,2,0,0,0,0|1,0,1]=4 510 B8R0.6 CCCCOC(=O)CN CS-0571899 [0,2,0,0,0,0|1,0,1]=4 511 B8R0.6 CCCCOC(=O)CS CS-0297731 [0,2,0,0,0,0|0,0,1]=3 512 B8R0.6 COC(=O)CCCCBr CS-W022866 [0,2,0,0,0,0|1,0,1]=4 513 B8R0.6 COC(=O)CCCCCl CS-0098043 [0,2,0,0,0,0|1,0,1]=4 514 B8R0.6 COC(=O)CCCCN CS-0018002 [0,2,0,0,0,0|1,0,1]=4 515 B8R0.6 COC(=O)CCCCO CS-0021769 [0,2,0,0,0,0|0,1,1]=4 516 B8R0.7 CC(=O)NCCCCN CS-0453679 [0,2,0,0,0,0|1,0,1]=4 517 B8R0.7 CC(=O)OCCCCCl CS-W010967 [0,2,0,0,0,0|1,0,1]=4 518 B8R0.7 CC(C)CCCCCO CS-0210352 [0,2,0,0,0,0|0,1,0]=3 519 B8R0.7 CC(C)CCCCCO CS-0641181 [0,2,0,0,0,0|0,1,0]=3 520 B8R0.7 CC(C)NCCCCO CS-M3069 [0,2,0,0,0,0|0,1,0]=3 521 B8R0.7 CCCCCCB(O)O CS-W000880 [0,2,0,0,0,0|0,1,0]=3 522 B8R0.7 CCCCCCC(C)=O CS-W011125 [0,2,0,0,0,0|0,1,0]=3 523 B8R0.7 CCCCCCC(C)Br CS-0182749 [0,2,0,0,0,0|1,0,0]=3 524 B8R0.7 CCCCCCC(C)O CS-W011107 [0,2,0,0,0,0|0,1,0]=3 525 B8R0.7 CCCCCC[C@@H](C)N CS-0204339 [0,2,0,0,0,0|1,0,0]=3 526 B8R0.7 CCCCCC[C@@H](C)O CS-0140572 [0,2,0,0,0,0|0,1,0]=3 527 B8R0.7 CCCCCC[C@H](C)O CS-0140577 [0,2,0,0,0,0|0,1,0]=3 528 B8R0.7 CCCCOCC(=O)O CS-0152080 [0,2,0,0,0,0|0,1,1]=4 529 B8R0.7 CN(C)CCCCCN CS-0044781 [0,2,0,0,0,0|1,0,0]=3 530 B8R0.7 CN(C)CCOCCO CS-W011078 [0,2,0,0,0,0|1,1,0]=4 531 B8R0.7 FC(F)CCCCCBr CS-0639269 [0,2,0,0,0,0|1,0,0]=3 532 B8R0.7 NC(=O)CCCCCBr CS-0138401 [0,2,0,0,0,0|0,1,1]=4 533 B8R0.7 NCCCCCC(=O)O CS-2204 [0,2,0,0,0,0|0,1,1]=4 534 B8R0.7 NCCCCCC(N)=O CS-0137981 [0,2,0,0,0,0|0,1,1]=4 535 B8R0.7 O=C(O)CCCCCBr CS-W007559 [0,2,0,0,0,0|0,1,1]=4 536 B8R0.7 O=C(O)CCCCCCl CS-W018132 [0,2,0,0,0,0|0,1,1]=4 537 B8R0.7 O=C(O)CCCCCO CS-0158392 [0,2,0,0,0,0|0,1,1]=4 538 B8R0.7 O=C(O)CCCCC[O-] CS-0160664 [0,2,0,0,0,0|0,1,1]=4 539 B8R0.7 O=C([O-])CCCCCO CS-0158395 [0,2,0,0,0,0|0,1,1]=4 540 B8R0.3 CCOC(=O)C(N)CS CS-0498859 [0,2,0,0,0,0|1,0,1]=4 541 B8R0.3 CCOC(=O)[C@@H](N)CS CS-B1669 [0,2,0,0,0,0|1,0,1]=4 542 B8R0.8 CCCCC(N)C(=O)O CS-W013425 [0,2,0,0,0,0|0,1,1]=4 543 B8R0.8 CCCCC(O)C(=O)O CS-M0542 [0,2,0,0,0,0|0,1,1]=4 544 B8R0.8 CCCC[C@@H](N)C(=O)O CS-0019200 [0,2,0,0,0,0|0,1,1]=4 545 B8R0.8 CCCC[C@H](N)C(=O)O CS-W020710 [0,2,0,0,0,0|0,1,1]=4 546 B8R0.11 CCCCC(CC)CBr CS-W004392 [0,2,0,0,0,0|1,0,0]=3 547 B8R0.11 CCCCC(CC)CCl CS-W016329 [0,2,0,0,0,0|1,0,0]=3 548 B8R0.11 CCCCC(CC)CO CS-0016002 [0,2,0,0,0,0|0,1,0]=3 549 B8R0.11 CCCCC(CO)CO CS-W016543 [0,2,0,0,0,0|0,1,0]=3 550 B8R0.11 CCN(CC)CCCO CS-W011099 [0,2,0,0,0,0|1,1,0]=4 551 B8R0.11 COC(CCCCl)OC CS-W008139 [0,2,0,0,0,0|2,0,0]=4 552 B8R0.25 CCCC[Si](C)(C)CCl CS-0450854 [0,2,0,0,0,0|1,1,0]=4 553 B8R0.5 CCC[C@H](N)CC(=O)O CS-0152590 [0,2,0,0,0,0|0,1,1]=4 554 B8R0.5 CCC[C@H](N)CC(=O)O CS-0678068 [0,2,0,0,0,0|0,1,1]=4 555 B8R0.21 CC(C)(C)OCCCN CS-0205575 [0,2,0,0,0,0|2,0,0]=4 556 B8R0.21 CC(C)(C)SCCCBr CS-0246998 [0,2,0,0,0,0|2,0,0]=4 557 B8R0.21 OCCCCC(F)(F)F CS-0121736 [0,2,0,0,0,0|1,1,0]=4 558 B8R0.28 CC(=O)CCCC(C)C CS-0154232 [0,2,0,0,0,0|0,1,1]=4 559 B8R0.28 CC(C)CNCC(C)C CS-0154216 [0,2,0,0,0,0|2,0,0]=4 560 B8R0.28 CC(O)CCCC(=O)[O-] CS-0263549 [0,2,0,0,0,0|0,1,1]=4 561 B8R0.22 CCCC(C#N)CCC CS-0186685 [0,2,0,0,0,0|1,0,0]=3 562 B8R0.22 CCCC(CO)CCC CS-0204896 [0,2,0,0,0,0|1,0,0]=3 563 B8R0.22 CCCN(C=O)CCC CS-W011117 [0,2,0,0,0,0|2,0,0]=4 564 B8R0.30 CCCC(C)(O)CCC CS-0360467 [0,2,0,0,0,0|1,0,0]=3 565 B6R1.1 C1CCNNC1 CS-0038680 [1,0,0,1,0,0|2,0,0]=4 566 B6R1.1 C1CCONC1 CS-W000777 [1,0,0,1,0,0|1,1,0]=4 567 B6R1.1 C1CNCCN1 CS-0214091 [1,0,0,1,0,0|2,0,0]=4 568 B6R1.1 C1CNCCN1 CS-0214115 [1,0,0,1,0,0|2,0,0]=4 569 B6R1.1 C1CSCCN1 CS-W007359 [1,0,0,1,0,0|1,0,0]=3 570 B6R1.1 C1CSCCO1 CS-0155184 [1,0,0,1,0,0|1,0,0]=3 571 B6R1.1 C1CSCCS1 CS-0698377 [1,0,0,1,0,0|1,0,0]=3 572 B6R1.1 C1CSCSC1 CS-W001189 [1,0,0,1,0,0|1,0,0]=3 573 B6R1.2 BrC1CCNC1 CS-W005728 [1,0,0,1,0,0|2,0,0]=4 574 B6R1.2 BrC1CCOC1 CS-W004035 [1,0,0,1,0,0|2,0,0]=4 575 B6R1.2 CC1CCNC1 CS-W021968 [1,0,0,1,0,0|1,0,0]=3 576 B6R1.2 C[C@@H]1CCCN1 CS-W019122 [1,0,0,1,0,0|1,0,0]=3 577 B6R1.2 C[C@H]1CCNC1 CS-0040457 [1,0,0,1,0,0|1,0,0]=3 578 B6R1.2 FC1CCNC1 CS-W005668 [1,0,0,1,0,0|2,0,0]=4 579 B6R1.2 F[C@@H]1CCNC1 CS-M3463 [1,0,0,1,0,0|2,0,0]=4 580 B6R1.2 IC1CCCC1 CS-0067150 [1,0,0,1,0,0|1,0,0]=3 581 B6R1.2 IC1CCOC1 CS-W004266 [1,0,0,1,0,0|2,0,0]=4 582 B6R1.2 I[C@@H]1CCOC1 CS-0055199 [1,0,0,1,0,0|2,0,0]=4 583 B6R1.2 I[C@H]1CCOC1 CS-0053265 [1,0,0,1,0,0|2,0,0]=4 584 B6R1.2 N=C1CCCS1 CS-W016514 [1,0,0,1,0,0|1,0,1]=4 585 B6R1.2 NC1CCNC1 CS-W016190 [1,0,0,1,0,0|2,0,0]=4 586 B6R1.2 NC1CCOC1 CS-D1564 [1,0,0,1,0,0|2,0,0]=4 587 B6R1.2 NC1CCOC1 CS-W011353 [1,0,0,1,0,0|2,0,0]=4 588 B6R1.2 N[C@@H]1CCNC1 CS-W010887 [1,0,0,1,0,0|2,0,0]=4 589 B6R1.2 N[C@@H]1CCOC1 CS-W019413 [1,0,0,1,0,0|2,0,0]=4 590 B6R1.2 N[C@H]1CCNC1 CS-W013278 [1,0,0,1,0,0|2,0,0]=4 591 B6R1.2 N[C@H]1CCOC1 CS-W019697 [1,0,0,1,0,0|2,0,0]=4 592 B6R1.2 O=S1CCCC1 CS-0207394 [1,0,0,1,0,0|1,1,0]=4 593 B6R1.2 OC1CCNC1 CS-W002985 [1,0,0,1,0,0|1,1,0]=4 594 B6R1.2 OC1CCNC1 CS-W022946 [1,0,0,1,0,0|1,1,0]=4 595 B6R1.2 OC1CCOC1 CS-M0786 [1,0,0,1,0,0|1,1,0]=4 596 B6R1.2 OC1CCSC1 CS-0185375 [1,0,0,1,0,0|1,1,0]=4 597 B6R1.2 O[C@@H]1CCNC1 CS-B1358 [1,0,0,1,0,0|1,1,0]=4 598 B6R1.2 O[C@@H]1CCNC1 CS-M0933 [1,0,0,1,0,0|1,1,0]=4 599 B6R1.2 O[C@@H]1CCOC1 CS-W002310 [1,0,0,1,0,0|1,1,0]=4 600 B6R1.2 O[C@H]1CCNC1 CS-M0906 [1,0,0,1,0,0|1,1,0]=4 601 B6R1.2 O[C@H]1CCNC1 CS-W008801 [1,0,0,1,0,0|1,1,0]=4 602 B6R1.2 O[C@H]1CCOC1 CS-D0600 [1,0,0,1,0,0|1,1,0]=4 603 B6R1.2 SC1=NCCC1 CS-W013703 [1,0,0,1,0,0|1,0,1]=4 604 B6R1.2 [C@@H]1(C)CCNC1 CS-0044082 [1,0,0,1,0,0|1,0,0]=3 605 B6R1.2 [C@H]1(F)CCNC1 CS-W004695 [1,0,0,1,0,0|2,0,0]=4 606 B6R1.3 BrCCC1CO1 CS-0158422 [1,0,0,1,0,0|1,1,0]=4 607 B6R1.3 CCNC1CC1 CS-0046972 [1,0,0,1,0,0|1,0,0]=3 608 B6R1.3 CNCC1CC1 CS-0045377 [1,0,0,1,0,0|1,0,0]=3 609 B6R1.3 COC[C@H]1CO1 CS-0165613 [1,0,0,1,0,0|1,1,0]=4 610 B6R1.3 ICCC1CC1 CS-0012702 [1,0,0,1,0,0|1,0,0]=3 611 B6R1.3 N#CCC1CC1 CS-0051913 [1,0,0,1,0,0|1,0,1]=4 612 B6R1.3 NCCC1CC1 CS-W006511 [1,0,0,1,0,0|1,0,0]=3 613 B6R1.3 NOCC1CC1 CS-W019324 [1,0,0,1,0,0|2,0,0]=4 614 B6R1.3 OCCC1CC1 CS-W016679 [1,0,0,1,0,0|0,1,0]=3 615 B6R1.3 OCCN1CC1 CS-W023058 [1,0,0,1,0,0|1,1,0]=4 616 B6R1.3 OCC[C@@H]1CO1 CS-0057154 [1,0,0,1,0,0|1,1,0]=4 617 B6R1.4 C[C@@H]1NC[C@@H]1O CS-0172767 [1,0,0,1,0,0|1,1,0]=4 618 B6R1.4 NC1CCC1F CS-0505919 [1,0,0,1,0,0|2,0,0]=4 619 B6R1.4 N[C@@H]1CC[C@H]1O CS-0045479 [1,0,0,1,0,0|1,1,0]=4 620 B6R1.6 BrCC1CCC1 CS-0015296 [1,0,0,1,0,0|1,0,0]=3 621 B6R1.6 BrCC1COC1 CS-W018850 [1,0,0,1,0,0|2,0,0]=4 622 B6R1.6 CNC1CCC1 CS-0054580 [1,0,0,1,0,0|1,0,0]=3 623 B6R1.6 CNC1CNC1 CS-0043910 [1,0,0,1,0,0|2,0,0]=4 624 B6R1.6 CNC1COC1 CS-0040193 [1,0,0,1,0,0|2,0,0]=4 625 B6R1.6 COC1CNC1 CS-W008894 [1,0,0,1,0,0|2,0,0]=4 626 B6R1.6 CSC1CNC1 CS-0051673 [1,0,0,1,0,0|2,0,0]=4 627 B6R1.6 FCC1CNC1 CS-0085106 [1,0,0,1,0,0|2,0,0]=4 628 B6R1.6 ICC1CCC1 CS-0053096 [1,0,0,1,0,0|1,0,0]=3 629 B6R1.6 ICC1CCO1 CS-0052227 [1,0,0,1,0,0|1,1,0]=4 630 B6R1.6 ICC1COC1 CS-0045504 [1,0,0,1,0,0|2,0,0]=4 631 B6R1.6 N#CC1CCC1 CS-0007644 [1,0,0,1,0,0|1,0,1]=4 632 B6R1.6 NCC1CCC1 CS-W004986 [1,0,0,1,0,0|1,0,0]=3 633 B6R1.6 NCC1CCO1 CS-0048767 [1,0,0,1,0,0|1,1,0]=4 634 B6R1.6 NCC1CNC1 CS-W022574 [1,0,0,1,0,0|2,0,0]=4 635 B6R1.6 NCC1COC1 CS-W008698 [1,0,0,1,0,0|2,0,0]=4 636 B6R1.6 NC[C@@H]1CCO1 CS-0100100 [1,0,0,1,0,0|1,1,0]=4 637 B6R1.6 NNC1CCC1 CS-0054590 [1,0,0,1,0,0|2,0,0]=4 638 B6R1.6 NNC1CCC1 CS-D1710 [1,0,0,1,0,0|2,0,0]=4 639 B6R1.6 OCC1CCC1 CS-W001922 [1,0,0,1,0,0|0,1,0]=3 640 B6R1.6 OCC1CCN1 CS-0049913 [1,0,0,1,0,0|1,1,0]=4 641 B6R1.6 OCC1CCO1 CS-W019194 [1,0,0,1,0,0|1,1,0]=4 642 B6R1.6 OCC1CNC1 CS-D1756 [1,0,0,1,0,0|1,1,0]=4 643 B8R1.2 BrCC1CCCCC1 CS-W007517 [0,1,0,1,0,0|1,0,0]=3 644 B8R1.2 BrCC1CCCCO1 CS-0214963 [0,1,0,1,0,0|0,1,0]=3 645 B8R1.2 BrCC1CCNCC1 CS-W001304 [0,1,0,1,0,0|1,0,0]=3 646 B8R1.2 BrCC1CCOCC1 CS-W003105 [0,1,0,1,0,0|1,0,0]=3 647 B8R1.2 C#CC1CCCCC1 CS-W022720 [0,1,0,1,0,0|1,0,0]=3 648 B8R1.2 C#CC1CCCNC1 CS-0040070 [0,1,0,1,0,0|1,0,1]=4 649 B8R1.2 C#CC1CCNCC1 CS-0050866 [0,1,0,1,0,0|1,0,1]=4 650 B8R1.2 C#CC1CCOCC1 CS-0050867 [0,1,0,1,0,0|1,0,1]=4 651 B8R1.2 CCC1CCNCC1 CS-0147296 [0,1,0,1,0,0|1,0,0]=3 652 B8R1.2 CCC1CNCCN1 CS-D0270 [0,1,0,1,0,0|1,0,0]=3 653 B8R1.2 CCC1CNCCO1 CS-0080681 [0,1,0,1,0,0|0,1,0]=3 654 B8R1.2 CCC1COCCN1 CS-0059261 [0,1,0,1,0,0|1,0,0]=3 655 B8R1.2 CC[C@@H]1CNCCO1 CS-0096526 [0,1,0,1,0,0|0,1,0]=3 656 B8R1.2 CC[C@@H]1COCCN1 CS-0146937 [0,1,0,1,0,0|1,0,0]=3 657 B8R1.2 CC[C@@H]1COCCN1 CS-0146943 [0,1,0,1,0,0|1,0,0]=3 658 B8R1.2 CC[C@H]1CNCCN1 CS-M0319 [0,1,0,1,0,0|1,0,0]=3 659 B8R1.2 CC[C@H]1CNCCO1 CS-0100795 [0,1,0,1,0,0|0,1,0]=3 660 B8R1.2 CC[C@H]1COCCN1 CS-0146945 [0,1,0,1,0,0|1,0,0]=3 661 B8R1.2 CNC1CCCNC1 CS-W016863 [0,1,0,1,0,0|2,0,0]=4 662 B8R1.2 CNC1CCNCC1 CS-0048783 [0,1,0,1,0,0|2,0,0]=4 663 B8R1.2 CNC1CCOCC1 CS-D1570 [0,1,0,1,0,0|2,0,0]=4 664 B8R1.2 COC1=NCCCC1 CS-0150206 [0,1,0,1,0,0|1,0,1]=4 665 B8R1.2 COC1CCCCO1 CS-0197358 [0,1,0,1,0,0|0,1,0]=3 666 B8R1.2 COC1CCCNC1 CS-0051284 [0,1,0,1,0,0|1,1,0]=4 667 B8R1.2 COC1CCCNC1 CS-0150202 [0,1,0,1,0,0|1,1,0]=4 668 B8R1.2 COC1CCNCC1 CS-0040128 [0,1,0,1,0,0|1,1,0]=4 669 B8R1.2 COC1CCNCC1 CS-W005038 [0,1,0,1,0,0|1,1,0]=4 670 B8R1.2 CO[C@@H]1CCCNC1 CS-0053772 [0,1,0,1,0,0|1,1,0]=4 671 B8R1.2 CO[C@H]1CCCNC1 CS-0053262 [0,1,0,1,0,0|1,1,0]=4 672 B8R1.2 CSC1CCNCC1 CS-0051141 [0,1,0,1,0,0|1,0,0]=3 673 B8R1.2 ClCC1CCNCC1 CS-0051167 [0,1,0,1,0,0|1,0,0]=3 674 B8R1.2 ClCC1CCOCC1 CS-0069602 [0,1,0,1,0,0|1,0,0]=3 675 B8R1.2 ClCC1CNCCO1 CS-0060823 [0,1,0,1,0,0|1,1,0]=4 676 B8R1.2 FCC1CCCNC1 CS-W001354 [0,1,0,1,0,0|1,0,0]=3 677 B8R1.2 ICC1CCCCC1 CS-0155327 [0,1,0,1,0,0|1,0,0]=3 678 B8R1.2 ICC1CCCCO1 CS-0058218 [0,1,0,1,0,0|0,1,0]=3 679 B8R1.2 ICC1CCOCC1 CS-W001910 [0,1,0,1,0,0|1,0,0]=3 680 B8R1.2 N#CC1CCCCC1 CS-W019522 [0,1,0,1,0,0|1,0,0]=3 681 B8R1.2 N#CC1CCCCN1 CS-0187605 [0,1,0,1,0,0|1,0,1]=4 682 B8R1.2 N#CC1CCCNC1 CS-0315616 [0,1,0,1,0,0|1,0,1]=4 683 B8R1.2 N#CC1CCNCC1 CS-0007612 [0,1,0,1,0,0|1,0,1]=4 684 B8R1.2 N#CC1CCNCC1 CS-0019876 [0,1,0,1,0,0|1,0,1]=4 685 B8R1.2 N#CC1CCOCC1 CS-W019661 [0,1,0,1,0,0|1,0,1]=4 686 B8R1.2 N#C[C@@H]1CCCNC1 CS-0053312 [0,1,0,1,0,0|1,0,1]=4 687 B8R1.2 N#C[C@@H]1CCCNC1 CS-0060758 [0,1,0,1,0,0|1,0,1]=4 688 B8R1.2 NCC1CCCCN1 CS-W011240 [0,1,0,1,0,0|1,0,0]=3 689 B8R1.2 NCC1CCCNC1 CS-0028231 [0,1,0,1,0,0|1,0,0]=3 690 B8R1.2 NCC1CCCOC1 CS-0048770 [0,1,0,1,0,0|1,0,0]=3 691 B8R1.2 NCC1CCNCC1 CS-W011241 [0,1,0,1,0,0|1,0,0]=3 692 B8R1.2 NCC1CCOCC1 CS-0036420 [0,1,0,1,0,0|1,0,0]=3 693 B8R1.2 NCC1CCOCC1 CS-W008973 [0,1,0,1,0,0|1,0,0]=3 694 B8R1.2 NCC1CCSCC1 CS-0045666 [0,1,0,1,0,0|1,0,0]=3 695 B8R1.2 NCC1CNCCO1 CS-0046184 [0,1,0,1,0,0|1,1,0]=4 696 B8R1.2 NCC1COCCO1 CS-0055041 [0,1,0,1,0,0|1,1,0]=4 697 B8R1.2 NC[C@@H]1COCCO1 CS-0037059 [0,1,0,1,0,0|1,1,0]=4 698 B8R1.2 NC[C@H]1COCCO1 CS-0053454 [0,1,0,1,0,0|1,1,0]=4 699 B8R1.2 NNC1CCCCC1 CS-W007595 [0,1,0,1,0,0|1,0,0]=3 700 B8R1.2 NNC1CCNCC1 CS-0109590 [0,1,0,1,0,0|2,0,0]=4 701 B8R1.2 NNC1CCOCC1 CS-0037407 [0,1,0,1,0,0|2,0,0]=4 702 B8R1.2 NNC1CCOCC1 CS-0047579 [0,1,0,1,0,0|2,0,0]=4 703 B8R1.2 NNC1CCOCC1 CS-B0289 [0,1,0,1,0,0|2,0,0]=4 704 B8R1.2 NOC1CCCCO1 CS-W007325 [0,1,0,1,0,0|1,1,0]=4 705 B8R1.2 O=CC1CCNCC1 CS-0171609 [0,1,0,1,0,0|0,1,1]=4 706 B8R1.2 O=CC1CCOCC1 CS-D1228 [0,1,0,1,0,0|0,1,1]=4 707 B8R1.2 O=CC1CCSCC1 CS-0199595 [0,1,0,1,0,0|0,1,1]=4 708 B8R1.2 O=CN1CCCCC1 CS-W016610 [0,1,0,1,0,0|0,1,1]=4 709 B8R1.2 OCC1CC=CCC1 CS-W013655 [0,1,0,1,0,0|0,1,1]=4 710 B8R1.2 OCC1CCCCC1 CS-W011242 [0,1,0,1,0,0|0,1,0]=3 711 B8R1.2 OCC1CCCCN1 CS-W013620 [0,1,0,1,0,0|0,1,0]=3 712 B8R1.2 OCC1CCCCO1 CS-0034490 [0,1,0,1,0,0|0,1,0]=3 713 B8R1.2 OCC1CCCNC1 CS-W001981 [0,1,0,1,0,0|0,1,0]=3 714 B8R1.2 OCC1CCCOC1 CS-D0478 [0,1,0,1,0,0|0,1,0]=3 715 B8R1.2 OCC1CCNCC1 CS-0185406 [0,1,0,1,0,0|0,1,0]=3 716 B8R1.2 OCC1CCNCC1 CS-W002476 [0,1,0,1,0,0|0,1,0]=3 717 B8R1.2 OCC1CCOCC1 CS-D1227 [0,1,0,1,0,0|0,1,0]=3 718 B8R1.2 OCC1CCSCC1 CS-0053969 [0,1,0,1,0,0|0,1,0]=3 719 B8R1.2 OCC1CNCCN1 CS-0146587 [0,1,0,1,0,0|1,1,0]=4 720 B8R1.2 OCC1CNCCO1 CS-0106282 [0,1,0,1,0,0|1,1,0]=4 721 B8R1.2 OCC1CNCCO1 CS-W022892 [0,1,0,1,0,0|1,1,0]=4 722 B8R1.2 OCC1COCCN1 CS-0053095 [0,1,0,1,0,0|1,1,0]=4 723 B8R1.2 OCC1COCCN1 CS-0104915 [0,1,0,1,0,0|1,1,0]=4 724 B8R1.2 OCC1COCCO1 CS-0130467 [0,1,0,1,0,0|1,1,0]=4 725 B8R1.2 OC[C@@H]1CCCCN1 CS-W001568 [0,1,0,1,0,0|0,1,0]=3 726 B8R1.2 OC[C@@H]1CCCNC1 CS-0030374 [0,1,0,1,0,0|0,1,0]=3 727 B8R1.2 OC[C@@H]1CCCNC1 CS-W018674 [0,1,0,1,0,0|0,1,0]=3 728 B8R1.2 OC[C@@H]1CNCCN1 CS-0146586 [0,1,0,1,0,0|1,1,0]=4 729 B8R1.2 OC[C@@H]1CNCCO1 CS-W003855 [0,1,0,1,0,0|1,1,0]=4 730 B8R1.2 OC[C@@H]1COCCN1 CS-0034507 [0,1,0,1,0,0|1,1,0]=4 731 B8R1.2 OC[C@@H]1COCCN1 CS-W018991 [0,1,0,1,0,0|1,1,0]=4 732 B8R1.2 OC[C@@H]1COCCO1 CS-0041581 [0,1,0,1,0,0|1,1,0]=4 733 B8R1.2 OC[C@H]1CCCCN1 CS-W018567 [0,1,0,1,0,0|0,1,0]=3 734 B8R1.2 OC[C@H]1CCCNC1 CS-0133006 [0,1,0,1,0,0|0,1,0]=3 735 B8R1.2 OC[C@H]1CCCNC1 CS-W019674 [0,1,0,1,0,0|0,1,0]=3 736 B8R1.2 OC[C@H]1CNCCN1 CS-0042552 [0,1,0,1,0,0|1,1,0]=4 737 B8R1.2 OC[C@H]1CNCCN1 CS-0106317 [0,1,0,1,0,0|1,1,0]=4 738 B8R1.2 OC[C@H]1CNCCO1 CS-0108806 [0,1,0,1,0,0|1,1,0]=4 739 B8R1.2 OC[C@H]1CNCCO1 CS-W003761 [0,1,0,1,0,0|1,1,0]=4 740 B8R1.2 OC[C@H]1COCCN1 CS-0031401 [0,1,0,1,0,0|1,1,0]=4 741 B8R1.2 OC[C@H]1COCCN1 CS-W006711 [0,1,0,1,0,0|1,1,0]=4 742 B8R1.2 OC[C@H]1COCCO1 CS-0102180 [0,1,0,1,0,0|1,1,0]=4 743 B8R1.2 ONC1CCCCC1 CS-0155321 [0,1,0,1,0,0|0,1,0]=3 744 B8R1.5 CC1CCCCC1N CS-W013646 [0,1,0,1,0,0|1,0,0]=3 745 B8R1.5 CC1CCCNC1=O CS-0186670 [0,1,0,1,0,0|0,1,1]=4 746 B8R1.5 CC1CNCCC1=O CS-D0046 [0,1,0,1,0,0|0,1,1]=4 747 B8R1.5 CC1CNCCC1=O CS-D0300 [0,1,0,1,0,0|0,1,1]=4 748 B8R1.5 CC1CNCCC1O CS-0051241 [0,1,0,1,0,0|0,1,0]=3 749 B8R1.5 CC1CNCCN1C CS-W005051 [0,1,0,1,0,0|2,0,0]=4 750 B8R1.5 CC1COCCC1=O CS-W003860 [0,1,0,1,0,0|0,1,1]=4 751 B8R1.5 C[C@@H]1CCCC[C@@H]1N CS-0158236 [0,1,0,1,0,0|1,0,0]=3 752 B8R1.5 C[C@@H]1CNCCN1C CS-0006864 [0,1,0,1,0,0|2,0,0]=4 753 B8R1.5 C[C@@H]1CNCCN1C CS-0053508 [0,1,0,1,0,0|2,0,0]=4 754 B8R1.5 C[C@@H]1CNCC[C@H]1O CS-0051211 [0,1,0,1,0,0|0,1,0]=3 755 B8R1.5 C[C@H]1CCCC[C@H]1N CS-0162390 [0,1,0,1,0,0|1,0,0]=3 756 B8R1.5 C[C@H]1CNCCN1C CS-0006863 [0,1,0,1,0,0|2,0,0]=4 757 B8R1.5 C[C@H]1CNCCN1C CS-0053455 [0,1,0,1,0,0|2,0,0]=4 758 B8R1.5 Cl[C@@H]1CCCC[C@H]1Cl CS-0455908 [0,1,0,1,0,0|1,0,0]=3 759 B8R1.5 NC1CCCCC1=O CS-0099232 [0,1,0,1,0,0|0,1,1]=4 760 B8R1.5 NC1CCCCC1N CS-0514846 [0,1,0,1,0,0|1,0,0]=3 761 B8R1.5 NC1CCCCC1O CS-0128497 [0,1,0,1,0,0|0,1,0]=3 762 B8R1.5 NC1CCCCC1O CS-0330487 [0,1,0,1,0,0|0,1,0]=3 763 B8R1.5 N[C@@H]1CCCC[C@@H]1O CS-W008418 [0,1,0,1,0,0|0,1,0]=3 764 B8R1.5 N[C@@H]1CCCC[C@H]1F CS-0038959 [0,1,0,1,0,0|1,0,0]=3 765 B8R1.5 N[C@@H]1CCCC[C@H]1N CS-0019667 [0,1,0,1,0,0|1,0,0]=3 766 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-0062471 [0,1,0,1,0,0|0,1,0]=3 767 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-0096323 [0,1,0,1,0,0|0,1,0]=3 768 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-W003455 [0,1,0,1,0,0|0,1,0]=3 769 B8R1.5 N[C@@H]1CCCC[C@H]1O CS-W005443 [0,1,0,1,0,0|0,1,0]=3 770 B8R1.5 N[C@@H]1CCOC[C@@H]1F CS-0049705 [0,1,0,1,0,0|2,0,0]=4 771 B8R1.5 N[C@@H]1CCOC[C@@H]1O CS-0049677 [0,1,0,1,0,0|1,1,0]=4 772 B8R1.5 N[C@@H]1CCOC[C@H]1O CS-0053238 [0,1,0,1,0,0|1,1,0]=4 773 B8R1.5 N[C@@H]1COCC[C@H]1O CS-0053305 [0,1,0,1,0,0|1,1,0]=4 774 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-D0607 [0,1,0,1,0,0|0,1,0]=3 775 B8R1.5 N[C@H]1CCCC[C@@H]1O CS-W019691 [0,1,0,1,0,0|0,1,0]=3 776 B8R1.5 N[C@H]1CCCC[C@H]1N CS-M3552 [0,1,0,1,0,0|1,0,0]=3 777 B8R1.5 N[C@H]1CCCC[C@H]1O CS-0134767 [0,1,0,1,0,0|0,1,0]=3 778 B8R1.5 N[C@H]1CCCC[C@H]1O CS-W008152 [0,1,0,1,0,0|0,1,0]=3 779 B8R1.5 N[C@H]1CCOC[C@@H]1F CS-0047782 [0,1,0,1,0,0|2,0,0]=4 780 B8R1.5 N[C@H]1CCOC[C@@H]1O CS-0029596 [0,1,0,1,0,0|1,1,0]=4 781 B8R1.5 O=C1CCCCC1Cl CS-W013402 [0,1,0,1,0,0|0,1,1]=4 782 B8R1.5 O=C1CCCCC1O CS-0262973 [0,1,0,1,0,0|0,1,1]=4 783 B8R1.5 OC1CCCCC1Cl CS-W016535 [0,1,0,1,0,0|0,1,0]=3 784 B8R1.5 OC1CCCCC1O CS-0155355 [0,1,0,1,0,0|0,1,0]=3 785 B8R1.5 O[C@@H]1CCCC[C@H]1O CS-W011230 [0,1,0,1,0,0|0,1,0]=3 786 B8R1.5 O[C@@H]1CNCC[C@H]1F CS-0053301 [0,1,0,1,0,0|1,1,0]=4 787 B8R1.5 O[C@H]1CCCC[C@H]1O CS-0059289 [0,1,0,1,0,0|0,1,0]=3 788 B8R1.5 O[C@H]1CCNC[C@H]1F CS-0058642 [0,1,0,1,0,0|1,1,0]=4 789 B8R1.5 O[C@H]1CNCC[C@H]1O CS-0049724 [0,1,0,1,0,0|1,1,0]=4 790 B8R1.8 BrCCC1OCCO1 CS-W019935 [0,1,0,1,0,0|1,1,0]=4 791 B8R1.8 BrCCN1CCCC1 CS-0040578 [0,1,0,1,0,0|1,0,0]=3 792 B8R1.8 C#CCN1CCCC1 CS-0058395 [0,1,0,1,0,0|1,0,1]=4 793 B8R1.8 C#CCN1CCCC1 CS-W005949 [0,1,0,1,0,0|1,0,1]=4 794 B8R1.8 CCCC1=NCCN1 CS-0119918 [0,1,0,1,0,0|1,0,1]=4 795 B8R1.8 CCO[C@@H]1CCNC1 CS-0053329 [0,1,0,1,0,0|2,0,0]=4 796 B8R1.8 CNCC1CCCN1 CS-0162490 [0,1,0,1,0,0|1,0,0]=3 797 B8R1.8 CNCC1CCOC1 CS-0048865 [0,1,0,1,0,0|1,1,0]=4 798 B8R1.8 CNC[C@@H]1CCCN1 CS-0162015 [0,1,0,1,0,0|1,0,0]=3 799 B8R1.8 COCC1CCNC1 CS-0058668 [0,1,0,1,0,0|1,1,0]=4 800 B8R1.8 COC[C@@H]1CCCN1 CS-W002057 [0,1,0,1,0,0|1,0,0]=3 801 B8R1.8 COC[C@H]1CCCN1 CS-W002305 [0,1,0,1,0,0|1,0,0]=3 802 B8R1.8 ClCCN1CCCC1 CS-D1148 [0,1,0,1,0,0|1,0,0]=3 803 B8R1.8 N#CCC1CCCC1 CS-0060786 [0,1,0,1,0,0|1,0,0]=3 804 B8R1.8 N#CCN1CCCC1 CS-0155280 [0,1,0,1,0,0|1,0,1]=4 805 B8R1.8 N#CCN1CCCC1 CS-0155281 [0,1,0,1,0,0|1,0,1]=4 806 B8R1.8 NCCC1CCCC1 CS-W006125 [0,1,0,1,0,0|1,0,0]=3 807 B8R1.8 NCCN1CCCC1 CS-D1372 [0,1,0,1,0,0|1,0,0]=3 808 B8R1.8 OCCC1CCCC1 CS-0055010 [0,1,0,1,0,0|0,1,0]=3 809 B8R1.8 OCCC1CCCO1 CS-0451231 [0,1,0,1,0,0|0,1,0]=3 810 B8R1.8 OCCC1CCOC1 CS-0240119 [0,1,0,1,0,0|0,1,0]=3 811 B8R1.8 OCCN1CCOC1 CS-0374348 [0,1,0,1,0,0|1,1,0]=4 812 B8R1.8 OCC[C@H]1CCCN1 CS-0572825 [0,1,0,1,0,0|0,1,0]=3 813 B8R1.11 CCC1CCCC1=O CS-0152470 [0,1,0,1,0,0|0,1,0]=3 814 B8R1.11 CCN1CCCC1=O CS-W013650 [0,1,0,1,0,0|0,1,1]=4 815 B8R1.11 CN1CCCC1CN CS-0128646 [0,1,0,1,0,0|1,0,0]=3 816 B8R1.11 CN1CCCC1CO CS-W019511 [0,1,0,1,0,0|0,1,0]=3 817 B8R1.11 CN1CCC[C@@H]1CN CS-0053069 [0,1,0,1,0,0|1,0,0]=3 818 B8R1.11 CN1CCC[C@@H]1CO CS-W003381 [0,1,0,1,0,0|0,1,0]=3 819 B8R1.11 CN1CCC[C@H]1CBr CS-0112933 [0,1,0,1,0,0|1,0,0]=3 820 B8R1.11 CN1CCC[C@H]1CN CS-0053063 [0,1,0,1,0,0|1,0,0]=3 821 B8R1.11 CN1CCC[C@H]1CN CS-0128648 [0,1,0,1,0,0|1,0,0]=3 822 B8R1.11 CN1CCC[C@H]1CO CS-0030792 [0,1,0,1,0,0|0,1,0]=3 823 B8R1.11 CO[C@@H]1CNC[C@H]1O CS-0047754 [0,1,0,1,0,0|1,1,0]=4 824 B8R1.11 C[C@H]1CNC[C@@H]1CO CS-0172749 [0,1,0,1,0,0|0,1,0]=3 825 B8R1.11 N#C[C@@H]1CCC[C@H]1O CS-0160316 [0,1,0,1,0,0|0,1,1]=4 826 B8R1.11 O=C1CCCC1CO CS-0136671 [0,1,0,1,0,0|0,1,1]=4 827 B8R1.11 OC[C@H]1OCC[C@@H]1O CS-0089202 [0,1,0,1,0,0|1,1,0]=4 828 B8R1.22 BrC1=CCCCCC1 CS-0448697 [0,1,0,1,0,0|1,0,1]=4 829 B8R1.22 BrC1CCCCCC1 CS-0146614 [0,1,0,1,0,0|1,0,0]=3 830 B8R1.22 CC1CCCNCC1 CS-0199646 [0,1,0,1,0,0|1,0,0]=3 831 B8R1.22 CN1CCCNCC1 CS-W013631 [0,1,0,1,0,0|2,0,0]=4 832 B8R1.22 ClC1CCCCCC1 CS-0155300 [0,1,0,1,0,0|1,0,0]=3 833 B8R1.22 FC1CCCCNC1 CS-0308682 [0,1,0,1,0,0|1,0,0]=3 834 B8R1.22 NC1CCCCCC1 CS-0071927 [0,1,0,1,0,0|1,0,0]=3 835 B8R1.22 NC1CCCCNC1 CS-W002928 [0,1,0,1,0,0|1,0,0]=3 836 B8R1.22 NC1CCCNCC1 CS-0271304 [0,1,0,1,0,0|1,0,0]=3 837 B8R1.22 N[C@@H]1CCCCNC1 CS-M3616 [0,1,0,1,0,0|1,0,0]=3 838 B8R1.22 N[C@H]1CCCCNC1 CS-0147270 [0,1,0,1,0,0|1,0,0]=3 839 B8R1.22 O=C1CCCCCN1 CS-W011258 [0,1,0,1,0,0|0,1,1]=4 840 B8R1.22 O=C1CCCCNC1 CS-0155246 [0,1,0,1,0,0|0,1,1]=4 841 B8R1.22 O=C1CCCNCC1 CS-W001845 [0,1,0,1,0,0|0,1,1]=4 842 B8R1.22 OC1CCCCCC1 CS-W013633 [0,1,0,1,0,0|0,1,0]=3 843 B8R1.22 OC1CCCCNC1 CS-0475252 [0,1,0,1,0,0|0,1,0]=3 844 B8R1.22 OC1CCCNCC1 CS-0038201 [0,1,0,1,0,0|0,1,0]=3 845 B8R1.22 O[C@@H]1CNCCOC1 CS-0311689 [0,1,0,1,0,0|1,1,0]=4 846 B8R1.22 O[C@H]1CNCCOC1 CS-0340560 [0,1,0,1,0,0|1,1,0]=4 847 B8R1.22 O[C@H]1CNCCOC1 CS-0641374 [0,1,0,1,0,0|1,1,0]=4 848 B8R1.36 CCCCCC1CO1 CS-0205209 [0,1,0,1,0,0|0,1,0]=3 849 B8R1.36 N#CCCNC1CC1 CS-0247670 [0,1,0,1,0,0|1,0,1]=4 850 B8R1.49 C1=CCCCCCC1 CS-0035172 [0,1,0,1,0,0|1,0,0]=3 851 B8R1.49 C1CCCNCCC1 CS-0204387 [0,1,0,1,0,0|1,0,0]=3 852 B8R1.1 CCC1CCC(=O)N1 CS-0046651 [0,1,0,1,0,0|0,1,1]=4 853 B8R1.1 CN1CCC(CO)C1 CS-0005413 [0,1,0,1,0,0|1,1,0]=4 854 B8R1.1 CN1CC[C@@H](CO)C1 CS-D0333 [0,1,0,1,0,0|1,1,0]=4 855 B8R1.1 COC1CCC(N)C1 CS-0051286 [0,1,0,1,0,0|2,0,0]=4 856 B8R1.1 O=C1CCC(CO)C1 CS-0315717 [0,1,0,1,0,0|0,1,1]=4 857 B8R1.1 OC[C@@H]1C[C@@H](F)CN1 CS-0035888 [0,1,0,1,0,0|1,1,0]=4 858 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 CS-0043961 [0,1,0,1,0,0|1,1,0]=4 859 B8R1.1 OC[C@@H]1C[C@H](F)CN1 CS-0466009 [0,1,0,1,0,0|1,1,0]=4 860 B8R1.1 OC[C@H]1C[C@@H](F)CN1 CS-0623474 [0,1,0,1,0,0|1,1,0]=4 861 B8R1.1 OC[C@H]1C[C@@H](O)CN1 CS-0181811 [0,1,0,1,0,0|1,1,0]=4 862 B8R1.1 OC[C@H]1C[C@H](O)CN1 CS-0053224 [0,1,0,1,0,0|1,1,0]=4 863 B8R1.3 CC1CCC(=O)CC1 CS-W013656 [0,1,0,1,0,0|0,1,1]=4 864 B8R1.3 CC1CCC(O)CC1 CS-0059254 [0,1,0,1,0,0|0,1,0]=3 865 B8R1.3 CN1CCC(Br)CC1 CS-0054167 [0,1,0,1,0,0|2,0,0]=4 866 B8R1.3 CN1CCC(Cl)CC1 CS-W013387 [0,1,0,1,0,0|2,0,0]=4 867 B8R1.3 CN1CCC(N)CC1 CS-0151104 [0,1,0,1,0,0|2,0,0]=4 868 B8R1.3 CN1CCC(N)CC1 CS-W016605 [0,1,0,1,0,0|2,0,0]=4 869 B8R1.3 CN1CCC(O)CC1 CS-W019412 [0,1,0,1,0,0|1,1,0]=4 870 B8R1.3 C[C@@H]1CO[C@H](C)CN1 CS-0158230 [0,1,0,1,0,0|1,1,0]=4 871 B8R1.3 C[C@H]1CC[C@@H](N)CC1 CS-0170852 [0,1,0,1,0,0|1,0,0]=3 872 B8R1.3 C[C@H]1CC[C@@H](O)CC1 CS-0180937 [0,1,0,1,0,0|0,1,0]=3 873 B8R1.3 C[C@H]1CC[C@H](N)CC1 CS-W003376 [0,1,0,1,0,0|1,0,0]=3 874 B8R1.3 C[C@H]1CC[C@H](N)CC1 CS-W011254 [0,1,0,1,0,0|1,0,0]=3 875 B8R1.3 C[C@H]1CC[C@H](O)CC1 CS-0180938 [0,1,0,1,0,0|0,1,0]=3 876 B8R1.3 C[C@H]1CN[C@@H](C)CN1 CS-0048757 [0,1,0,1,0,0|2,0,0]=4 877 B8R1.3 C[C@H]1CN[C@H](C)CN1 CS-B1271 [0,1,0,1,0,0|2,0,0]=4 878 B8R1.3 C[C@H]1CO[C@@H](C)CN1 CS-W021076 [0,1,0,1,0,0|1,1,0]=4 879 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [0,1,0,1,0,0|0,1,1]=4 880 B8R1.3 NC1CCC(Br)CC1 CS-0039218 [0,1,0,1,0,0|1,0,0]=3 881 B8R1.3 NC1CCC(N)CC1 CS-0096883 [0,1,0,1,0,0|1,0,0]=3 882 B8R1.3 NC1CCC(O)CC1 CS-0127650 [0,1,0,1,0,0|0,1,0]=3 883 B8R1.3 NC1CCC(O)CC1 CS-W019318 [0,1,0,1,0,0|0,1,0]=3 884 B8R1.3 NN1CCC(O)CC1 CS-0044231 [0,1,0,1,0,0|1,1,0]=4 885 B8R1.3 N[C@H]1CC[C@@H](N)CC1 CS-0096882 [0,1,0,1,0,0|1,0,0]=3 886 B8R1.3 N[C@H]1CC[C@@H](O)CC1 CS-0049680 [0,1,0,1,0,0|0,1,0]=3 887 B8R1.3 N[C@H]1CC[C@@H](O)CC1 CS-W019682 [0,1,0,1,0,0|0,1,0]=3 888 B8R1.3 N[C@H]1CC[C@H](N)CC1 CS-W007732 [0,1,0,1,0,0|1,0,0]=3 889 B8R1.3 N[C@H]1CC[C@H](O)CC1 CS-W019841 [0,1,0,1,0,0|0,1,0]=3 890 B8R1.3 N[C@H]1CC[C@H](O)CC1 CS-W023031 [0,1,0,1,0,0|0,1,0]=3 891 B8R1.3 O=C1CCC(O)CC1 CS-D0911 [0,1,0,1,0,0|0,1,1]=4 892 B8R1.3 OC1CCC(O)CC1 CS-W007850 [0,1,0,1,0,0|0,1,0]=3 893 B8R1.3 OC1CSC(O)CS1 CS-W018087 [0,1,0,1,0,0|2,0,0]=4 894 B8R1.3 O[C@H]1CC[C@@H](O)CC1 CS-0049754 [0,1,0,1,0,0|0,1,0]=3 895 B8R1.3 [C@H]1(O)CC[C@H](O)CC1 CS-W005575 [0,1,0,1,0,0|0,1,0]=3 896 B8R1.38 CCC(N)C1CCC1 CS-0655543 [0,1,0,1,0,0|1,0,0]=3 897 B8R1.52 C#CC1(O)CCCC1 CS-W011277 [0,1,0,1,0,0|1,0,1]=4 898 B8R1.52 CC1(CO)CCCC1 CS-0058058 [0,1,0,1,0,0|0,1,0]=3 899 B8R1.52 CCC1(O)CCCC1 CS-W013632 [0,1,0,1,0,0|1,0,0]=3 900 B8R1.52 CC[N+]1(C)CCCC1 CS-0185898 [0,1,0,1,0,0|2,0,0]=4 901 B8R1.52 CC[N+]1(C)CCCC1 CS-W015752 [0,1,0,1,0,0|2,0,0]=4 902 B8R1.52 N#CC1(N)CCCC1 CS-0168578 [0,1,0,1,0,0|1,0,1]=4 903 B8R1.52 N#CC1(O)CCCC1 CS-0206782 [0,1,0,1,0,0|1,0,1]=4 904 B8R1.52 NC1(CO)CCCC1 CS-0088069 [0,1,0,1,0,0|0,1,0]=3 905 B8R1.52 NCC1(O)CCCC1 CS-W003998 [0,1,0,1,0,0|1,0,0]=3 906 B8R1.52 NCC1(O)CCCC1 CS-W023215 [0,1,0,1,0,0|1,0,0]=3 907 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [0,1,0,1,0,0|1,0,1]=4 908 B8R1.4 CC1CC(=O)CCO1 CS-W004274 [0,1,0,1,0,0|0,1,1]=4 909 B8R1.4 CC1CCCC(=O)N1 CS-0009358 [0,1,0,1,0,0|0,1,1]=4 910 B8R1.4 CC1CCCC(=O)O1 CS-0015920 [0,1,0,1,0,0|0,1,1]=4 911 B8R1.4 CC1CCCC(N)C1 CS-D0430 [0,1,0,1,0,0|1,0,0]=3 912 B8R1.4 CC1CN(C)CCN1 CS-0173710 [0,1,0,1,0,0|2,0,0]=4 913 B8R1.4 CC1CNCC(C)N1 CS-W013629 [0,1,0,1,0,0|2,0,0]=4 914 B8R1.4 CC1COCC(C)N1 CS-0075433 [0,1,0,1,0,0|2,0,0]=4 915 B8R1.4 CN1CCCC(N)C1 CS-W003989 [0,1,0,1,0,0|2,0,0]=4 916 B8R1.4 CN1CCC[C@@H](N)C1 CS-0030803 [0,1,0,1,0,0|2,0,0]=4 917 B8R1.4 CN1CCC[C@@H](N)C1 CS-0053341 [0,1,0,1,0,0|2,0,0]=4 918 B8R1.4 CN1CCC[C@H](N)C1 CS-0053774 [0,1,0,1,0,0|2,0,0]=4 919 B8R1.4 CN1CCC[C@H](N)C1 CS-W021153 [0,1,0,1,0,0|2,0,0]=4 920 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [0,1,0,1,0,0|1,0,1]=4 921 B8R1.4 C[C@@H]1CCCC(=O)N1 CS-0312406 [0,1,0,1,0,0|0,1,1]=4 922 B8R1.4 C[C@@H]1CN(C)CCN1 CS-0006865 [0,1,0,1,0,0|2,0,0]=4 923 B8R1.4 C[C@@H]1CN(C)CCN1 CS-0067514 [0,1,0,1,0,0|2,0,0]=4 924 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 CS-0001868 [0,1,0,1,0,0|2,0,0]=4 925 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 CS-0088046 [0,1,0,1,0,0|1,1,0]=4 926 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 CS-W005832 [0,1,0,1,0,0|1,1,0]=4 927 B8R1.4 C[C@@H]1CNC[C@H](C)C1 CS-0139658 [0,1,0,1,0,0|2,0,0]=4 928 B8R1.4 C[C@@H]1COC[C@@H](C)N1 CS-0084653 [0,1,0,1,0,0|2,0,0]=4 929 B8R1.4 C[C@@H]1COC[C@@H](C)N1 CS-0112796 [0,1,0,1,0,0|2,0,0]=4 930 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [0,1,0,1,0,0|1,0,1]=4 931 B8R1.4 C[C@H]1CCC[C@@H](C)N1 CS-0015754 [0,1,0,1,0,0|1,0,0]=3 932 B8R1.4 C[C@H]1CCC[C@@H](C)N1 CS-0995219 [0,1,0,1,0,0|1,0,0]=3 933 B8R1.4 C[C@H]1CN(C)CCN1 CS-0054951 [0,1,0,1,0,0|2,0,0]=4 934 B8R1.4 C[C@H]1CN(C)CCN1 CS-0183803 [0,1,0,1,0,0|2,0,0]=4 935 B8R1.4 C[C@H]1CNC[C@@H](C)N1 CS-W013630 [0,1,0,1,0,0|2,0,0]=4 936 B8R1.4 C[C@H]1CNC[C@@H](C)O1 CS-0008437 [0,1,0,1,0,0|1,1,0]=4 937 B8R1.4 C[C@H]1CNC[C@H](C)O1 CS-0102294 [0,1,0,1,0,0|1,1,0]=4 938 B8R1.4 C[C@H]1COC[C@@H](C)N1 CS-0049722 [0,1,0,1,0,0|2,0,0]=4 939 B8R1.4 C[C@H]1COC[C@@H](C)N1 CS-0057260 [0,1,0,1,0,0|2,0,0]=4 940 B8R1.4 C[C@H]1COC[C@H](C)N1 CS-0102260 [0,1,0,1,0,0|2,0,0]=4 941 B8R1.4 C[C@H]1COC[C@H](C)N1 CS-0147828 [0,1,0,1,0,0|2,0,0]=4 942 B8R1.4 NC1CCCC(N)C1 CS-0129557 [0,1,0,1,0,0|1,0,0]=3 943 B8R1.4 NC1CCCC(O)C1 CS-W005423 [0,1,0,1,0,0|0,1,0]=3 944 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 CS-0047790 [0,1,0,1,0,0|0,1,0]=3 945 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 CS-0134685 [0,1,0,1,0,0|0,1,0]=3 946 B8R1.4 N[C@@H]1CCC[C@H](O)C1 CS-0112892 [0,1,0,1,0,0|0,1,0]=3 947 B8R1.4 N[C@H]1CCC[C@@H](N)C1 CS-0047588 [0,1,0,1,0,0|1,0,0]=3 948 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [0,1,0,1,0,0|0,1,1]=4 949 B8R1.7 CC(C)[C@H]1CCNC1 CS-0053334 [0,1,0,1,0,0|2,0,0]=4 950 B8R1.7 CC(N)C1CCCC1 CS-0052581 [0,1,0,1,0,0|1,0,0]=3 951 B8R1.7 CC(N)C1CCOC1 CS-0263398 [0,1,0,1,0,0|2,0,0]=4 952 B8R1.7 CC(O)C1CCCC1 CS-0144924 [0,1,0,1,0,0|0,1,0]=3 953 B8R1.7 C[C@H](N)C1CCCC1 CS-0135384 [0,1,0,1,0,0|1,0,0]=3 954 B8R1.7 FC(F)C1CCNC1 CS-0051691 [0,1,0,1,0,0|2,0,0]=4 955 B8R1.7 NC(=O)C1CCCC1 CS-0205277 [0,1,0,1,0,0|0,1,1]=4 956 B8R1.7 NC(=S)C1CCCC1 CS-0468896 [0,1,0,1,0,0|0,0,2]=4 957 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [0,1,0,1,0,0|0,1,1]=4 958 B8R1.7 O=C(O)C1CCCS1 CS-W000375 [0,1,0,1,0,0|1,0,1]=4 959 B8R1.7 OB(O)C1CCCC1 CS-W000955 [0,1,0,1,0,0|1,1,0]=4 960 B8R1.19 CC1(C)CCCC1=O CS-0040450 [0,1,0,1,0,0|0,1,1]=4 961 B8R1.19 CC1(C)CCCC1O CS-0072492 [0,1,0,1,0,0|0,1,0]=3 962 B8R1.19 C[C@@]1(O)CCC[C@H]1N CS-0105761 [0,1,0,1,0,0|1,0,0]=3 963 B8R1.19 FC1(F)CCCC1Br CS-0377806 [0,1,0,1,0,0|2,0,0]=4 964 B8R1.19 NC1CCCC1(F)F CS-0108754 [0,1,0,1,0,0|2,0,0]=4 965 B8R1.27 OCCC1CC1(F)F CS-0054495 [0,1,0,1,0,0|1,1,0]=4 966 B8R1.34 O=C(O)CC1CCC1 CS-D0460 [0,1,0,1,0,0|0,1,1]=4 967 B8R1.35 O=C(O)CCC1CC1 CS-D0289 [0,1,0,1,0,0|0,1,1]=4 968 B8R1.72 CC1(C)CCNCC1 CS-W005691 [0,1,0,1,0,0|2,0,0]=4 969 B8R1.72 CC1(C)CNCCN1 CS-D0739 [0,1,0,1,0,0|2,0,0]=4 970 B8R1.72 CC1(C)CNCCO1 CS-W003622 [0,1,0,1,0,0|1,1,0]=4 971 B8R1.72 CC1(C)COCCN1 CS-0094495 [0,1,0,1,0,0|2,0,0]=4 972 B8R1.72 CC1(F)CCNCC1 CS-0187010 [0,1,0,1,0,0|2,0,0]=4 973 B8R1.72 CC1(N)CCOCC1 CS-0039635 [0,1,0,1,0,0|2,0,0]=4 974 B8R1.72 CC1(N)CCOCC1 CS-W018780 [0,1,0,1,0,0|2,0,0]=4 975 B8R1.72 CC1(O)CCCCC1 CS-W013634 [0,1,0,1,0,0|0,1,0]=3 976 B8R1.72 CC1(O)CCCNC1 CS-0051242 [0,1,0,1,0,0|1,1,0]=4 977 B8R1.72 CC1(O)CCCNC1 CS-0183561 [0,1,0,1,0,0|1,1,0]=4 978 B8R1.72 CC1(O)CCNCC1 CS-B1024 [0,1,0,1,0,0|1,1,0]=4 979 B8R1.72 CC1(O)CCNCC1 CS-M0531 [0,1,0,1,0,0|1,1,0]=4 980 B8R1.72 CC1(O)CCNCC1 CS-W004838 [0,1,0,1,0,0|1,1,0]=4 981 B8R1.72 CC1(O)CCOCC1 CS-W006621 [0,1,0,1,0,0|1,1,0]=4 982 B8R1.72 C[C@@]1(O)CCCNC1 CS-0184477 [0,1,0,1,0,0|1,1,0]=4 983 B8R1.72 C[N+]1(C)CCCCC1 CS-W018164 [0,1,0,1,0,0|2,0,0]=4 984 B8R1.72 FC1(F)CCCNC1 CS-W001579 [0,1,0,1,0,0|2,0,0]=4 985 B8R1.72 FC1(F)CCNCC1 CS-0028285 [0,1,0,1,0,0|2,0,0]=4 986 B8R1.72 FC1(F)CCNCC1 CS-W001440 [0,1,0,1,0,0|2,0,0]=4 987 B8R1.72 N=S1(=O)CCCCC1 CS-0134127 [0,1,0,1,0,0|1,1,0]=4 988 B8R1.66 CCCC1(F)CNC1 CS-0467868 [0,1,0,1,0,0|2,0,0]=4 989 B8R2.11 NC1C2COCC12 CS-W007149 [0,0,0,2,0,0|2,0,0]=4 990 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 CS-0035789 [0,0,0,2,0,0|2,0,0]=4 991 B8R2.34 C1=CC2CCC1C2 CS-W013737 [0,0,0,2,0,0|1,0,1]=4 992 B8R2.34 C1CC2CC1CN2 CS-0067833 [0,0,0,2,0,0|1,0,0]=3 993 B8R2.34 C1CC2CCC1N2 CS-W018698 [0,0,0,2,0,0|1,0,0]=3 994 B8R2.34 C1CN2CCC1C2 CS-0698648 [0,0,0,2,0,0|2,0,0]=4 995 B8R2.34 C1OC2CNC1C2 CS-0044047 [0,0,0,2,0,0|1,1,0]=4 996 B8R2.34 C1O[C@@H]2CN[C@H]1C2 CS-W019161 [0,0,0,2,0,0|1,1,0]=4 997 B8R2.34 C1O[C@H]2CN[C@@H]1C2 CS-0044652 [0,0,0,2,0,0|1,1,0]=4 998 B8R2.34 [C@H]12CN[C@H](CN1)C2 CS-W010152 [0,0,0,2,0,0|2,0,0]=4 999 B8R2.55 C1CC2(CC2)CN1 CS-0058662 [0,0,0,2,0,0|2,0,0]=4 1000 B8R2.55 C1CNC2(C1)CC2 CS-0183849 [0,0,0,2,0,0|1,0,0]=3 1001 B8R2.18 O=C1CC2CC2C1 CS-0036289 [0,0,0,2,0,0|0,1,1]=4 1002 B8R2.18 OC1CC2CC2C1 CS-0035529 [0,0,0,2,0,0|0,1,0]=3 1003 B8R2.23 C1NCC2CC1O2 CS-0054897 [0,0,0,2,0,0|1,1,0]=4 1004 B8R2.23 C1OCC2CC1N2 CS-0051232 [0,0,0,2,0,0|2,0,0]=4 1005 B8R2.25 C1CC2OC2CO1 CS-0051589 [0,0,0,2,0,0|1,1,0]=4 1006 B8R2.25 C1COC2CC2N1 CS-0112792 [0,0,0,2,0,0|1,1,0]=4 1007 B8R2.42 C1CC2(C1)CNC2 CS-0052032 [0,0,0,2,0,0|2,0,0]=4 1008 B8R2.42 C1CC2(C1)CNC2 CS-0112364 [0,0,0,2,0,0|2,0,0]=4 1009 B8R2.42 C1CC2(CNC2)O1 CS-0183415 [0,0,0,2,0,0|1,1,0]=4 1010 B8R2.42 C1CC2(COC2)N1 CS-W018669 [0,0,0,2,0,0|2,0,0]=4