0 B6R0.6 C#CCNCCBr D73839 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 COCOCCN AC9200 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 CSCCN=C=O AT25543 [0,0,0,0,0,0|2,1,1]=4 3 B6R0.6 Cl[13CH2][13CH2]N[13CH2][13CH2]Cl AT23538 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.6 NCCOCCS AT12749 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.6 NNCCCCO AB9420 [0,0,0,0,0,0|2,1,0]=3 6 B6R0.6 O=CNCCCF AT22548 [0,0,0,0,0,0|2,1,1]=4 7 B5R0.2 CCNCCS AT25561 [1,0,0,0,0,0|1,0,0]=2 8 B5R0.2 CCOCC=O AT18655 [1,0,0,0,0,0|1,1,1]=4 9 B5R0.2 CNCCCF AT22549 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.2 CSSCCN AT25568 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.2 NCCCCF D75976 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.2 NCCCCS AT25915 [1,0,0,0,0,0|1,0,0]=2 13 B5R0.2 O=CCCCBr AT24507 [1,0,0,0,0,0|1,1,1]=4 14 B5R0.2 [C-]#[N+]CCSC AT25542 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.1 C#CCCCCCN D76475 [0,1,0,0,0,0|1,0,1]=3 16 B7R0.1 CCCNNCCC D79943 [0,1,0,0,0,0|2,0,0]=3 17 B7R0.1 NCCCNCCS W12622 [0,1,0,0,0,0|1,0,0]=2 18 B7R0.1 NCCC\C=C\CO AT22200 [0,1,0,0,0,0|0,1,2]=4 19 B7R0.1 NCCSSCCO C70186 [0,1,0,0,0,0|2,1,0]=4 20 B7R0.1 NOCCOCCO C70226 [0,1,0,0,0,0|2,1,0]=4 21 B7R0.3 C=CCC[C@H](N)CO D75109 [0,1,0,0,0,0|0,1,2]=4 22 B7R0.3 C[C@H](CN)CCCO AC9867 [0,1,0,0,0,0|1,1,0]=3 23 B7R0.3 C\C=C(/C)CCCC T72329 [0,1,0,0,0,0|1,0,2]=4 24 B7R0.4 CCCCC[13C](=O)O 41454 [0,1,0,0,0,0|0,1,1]=3 25 B7R0.4 CNCCOC(F)F AT24686 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.4 C[S@](=O)CCCCN AT23964 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.4 FC(F)COCCS AT25479 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.4 FC(F)OCCCBr AT14903 [0,1,0,0,0,0|3,0,0]=4 29 B7R0.4 NCCCCC(N)=O D77059 [0,1,0,0,0,0|1,1,1]=4 30 B7R0.7 C#CC[C@H](N)COC AT12986 [0,1,0,0,0,0|2,0,1]=4 31 B7R0.7 CCC[C@H](O)COC D77523 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.7 COCC(Cl)COC D74903 [0,1,0,0,0,0|3,0,0]=4 33 B7R1.1 C#C[C@@H]1CCCO1 AT10094 [0,0,0,1,0,0|0,1,2]=4 34 B7R1.1 C#C[C@@H]1CCCO1 AT10095 [0,0,0,1,0,0|0,1,2]=4 35 B7R1.1 C#C[C@@H]1CCCO1 AT10096 [0,0,0,1,0,0|0,1,2]=4 36 B7R1.1 C#C[C@H]1CCNC1 D72931 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.1 C#C[C@H]1CCOC1 AT10097 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.1 C#C[C@H]1CCOC1 AT10098 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.1 C=CN1CCCC1 C11100 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.1 CC[C@H]1CCCN1 RB4030 [0,0,0,1,0,0|1,0,0]=2 41 B7R1.1 FC[C@H]1CCCN1 P12557 [0,0,0,1,0,0|2,0,0]=3 42 B7R1.1 FC[C@H]1CCNC1 AT23179 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.1 NC[C@@H]1C=CCC1 E73245 [0,0,0,1,0,0|1,0,2]=4 44 B7R1.1 NO[C@H]1CCOC1 97657 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.1 O=C[C@@H]1CCCO1 98506 [0,0,0,1,0,0|1,1,1]=4 46 B7R1.1 O=C[C@@H]1CCCO1 98507 [0,0,0,1,0,0|1,1,1]=4 47 B7R1.1 O=C[C@H]1CCOC1 58457 [0,0,0,1,0,0|1,1,1]=4 48 B7R1.1 O=C[C@H]1CCOC1 58458 [0,0,0,1,0,0|1,1,1]=4 49 B7R1.1 OC[C@H]1CCON1 AT14857 [0,0,0,1,0,0|2,1,0]=4 50 B7R1.3 C=C1CCNCC1 D77655 [0,0,0,1,0,0|2,0,1]=4 51 B7R1.3 C[C@H]1CNCCS1 AT10752 [0,0,0,1,0,0|1,0,0]=2 52 B7R1.3 C[C@H]1CSCCN1 AT10757 [0,0,0,1,0,0|2,0,0]=3 53 B7R1.3 N[C@@H]1CC=CCC1 AT10535 [0,0,0,1,0,0|1,0,2]=4 54 B7R1.3 N[C@@H]1CC=CCC1 AT10537 [0,0,0,1,0,0|1,0,2]=4 55 B7R1.3 N[C@@H]1CCCCN1 F13375 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.4 CC1CNCC1N AT23640 [0,0,0,1,0,0|2,0,0]=3 57 B7R1.4 CC1NCCC1O 94946 [0,0,0,1,0,0|1,1,0]=3 58 B7R1.4 CC1NCCC1O AT22499 [0,0,0,1,0,0|1,1,0]=3 59 B7R1.4 C[C@@H]1COC[C@@H]1O 73075 [0,0,0,1,0,0|1,1,0]=3 60 B7R1.4 C[C@@H]1NCCC1=O AT25613 [0,0,0,1,0,0|1,1,1]=4 61 B7R1.4 C[C@@H]1NCC[C@@H]1O AT22514 [0,0,0,1,0,0|1,1,0]=3 62 B7R1.4 C[C@@H]1NCC[C@@H]1O C90248 [0,0,0,1,0,0|1,1,0]=3 63 B7R1.4 C[C@H]1CCNC1=O D72756 [0,0,0,1,0,0|1,1,1]=4 64 B7R1.4 C[C@H]1CNC[C@@H]1N AT23637 [0,0,0,1,0,0|2,0,0]=3 65 B7R1.4 C[C@H]1CNC[C@@H]1N AT23638 [0,0,0,1,0,0|2,0,0]=3 66 B7R1.4 C[C@H]1CNC[C@@H]1N AT23639 [0,0,0,1,0,0|2,0,0]=3 67 B7R1.4 C[C@H]1CNC[C@@H]1O P12669 [0,0,0,1,0,0|1,1,0]=3 68 B7R1.4 C[C@H]1COC[C@@H]1N D72913 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.4 C[C@H]1NCC[C@@H]1O AT23994 [0,0,0,1,0,0|1,1,0]=3 70 B7R1.4 NC1COCC1F E72312 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.4 N[C@@H]1CNC[C@@H]1F D75765 [0,0,0,1,0,0|3,0,0]=4 72 B7R1.4 N[C@@H]1COC[C@@H]1F D72819 [0,0,0,1,0,0|3,0,0]=4 73 B7R1.4 N[C@@H]1CSC[C@@H]1O D72825 [0,0,0,1,0,0|2,1,0]=4 74 B7R1.4 N[C@H]1CCC[C@H]1N F16268 [0,0,0,1,0,0|2,0,0]=3 75 B7R1.4 N[C@H]1COC[C@@H]1O AT26726 [0,0,0,1,0,0|2,1,0]=4 76 B7R1.4 N[C@H]1CSC[C@@H]1O D72826 [0,0,0,1,0,0|2,1,0]=4 77 B7R1.5 CCC[C@@H]1ON1C C11697 [0,0,0,1,0,0|3,0,0]=4 78 B7R1.5 CCO[C@H]1C[C@@H]1N AT11448 [0,0,0,1,0,0|2,0,0]=3 79 B7R1.6 NCCC1CNC1 AC9109 [0,0,0,1,0,0|2,0,0]=3 80 B7R1.7 OCCOC1CC1 AT11518 [0,0,0,1,0,0|1,1,0]=3 81 B7R1.8 COC1CCC1N AT20027 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.8 CO[C@H]1CC[C@@H]1N AT20051 [0,0,0,1,0,0|2,0,0]=3 83 B7R1.8 CO[C@H]1CC[C@@H]1N AT20055 [0,0,0,1,0,0|2,0,0]=3 84 B7R1.8 CO[C@H]1CC[C@H]1N AT20049 [0,0,0,1,0,0|2,0,0]=3 85 B7R1.8 CO[C@H]1CC[C@H]1N AT20056 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.8 CO[C@H]1CC[C@H]1N AT20057 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.8 NC[C@H]1CC[C@@H]1O AT20432 [0,0,0,1,0,0|1,1,0]=3 88 B7R1.8 OC[C@@H]1CC[C@@H]1O P19439 [0,0,0,1,0,0|1,1,0]=3 89 B7R1.9 C#CC1CC1CO 70206 [0,0,0,1,0,0|0,1,2]=4 90 B7R1.9 NC[C@H]1C[C@@H]1CO AT20739 [0,0,0,1,0,0|1,1,0]=3 91 B7R1.9 OC[C@H]1C[C@@H]1CO AT12393 [0,0,0,1,0,0|1,1,0]=3 92 B6R0.1 CCC[C@H](N)CF AC5307 [1,1,0,0,0,0|1,0,0]=3 93 B6R0.1 CCC[C@H](N)CF AC7092 [1,1,0,0,0,0|1,0,0]=3 94 B6R0.1 CC[C@H](N)CCO AT14304 [1,1,0,0,0,0|0,1,0]=3 95 B6R0.1 CC[C@H](N)CCO AT22343 [1,1,0,0,0,0|0,1,0]=3 96 B6R0.1 CC[C@H](N)CCO AT22346 [1,1,0,0,0,0|0,1,0]=3 97 B6R0.1 CC[C@H](O)CON AT14514 [1,1,0,0,0,0|2,0,0]=4 98 B6R0.1 CNC[C@H](O)CF AT22540 [1,1,0,0,0,0|2,0,0]=4 99 B6R0.1 COC[C@@H](F)CN P20360 [1,1,0,0,0,0|2,0,0]=4 100 B6R0.1 COC[C@@H](N)CO 91278 [1,1,0,0,0,0|1,1,0]=4 101 B6R0.1 COC[C@@H](N)CO D75105 [1,1,0,0,0,0|1,1,0]=4 102 B6R0.1 COC[C@@H](N)CO D75106 [1,1,0,0,0,0|1,1,0]=4 103 B6R0.1 N[C@H](CF)CCO AT24448 [1,1,0,0,0,0|1,1,0]=4 104 B6R0.1 N[C@H](CO)CCF E72842 [1,1,0,0,0,0|1,1,0]=4 105 B6R0.1 N[C@H](CO)CCO D75100 [1,1,0,0,0,0|1,1,0]=4 106 B6R0.1 OCC[C@H](O)CCl AT21895 [1,1,0,0,0,0|1,1,0]=4 107 B6R0.4 CC#CC[C@H](C)N AT21841 [1,1,0,0,0,0|0,0,2]=4 108 B6R0.4 CC(=O)CCCN C77428 [1,1,0,0,0,0|1,0,1]=4 109 B6R0.4 CCNCC(F)F AT23781 [1,1,0,0,0,0|2,0,0]=4 110 B6R0.4 CNCCC(F)F AT22541 [1,1,0,0,0,0|2,0,0]=4 111 B6R0.4 NCCCC(F)F D75977 [1,1,0,0,0,0|2,0,0]=4 112 B8R0.1 CCCC[C@H](N)CCO AT14318 [0,2,0,0,0,0|0,1,0]=3 113 B8R0.4 C#CCCCCCCBr AT14297 [0,2,0,0,0,0|1,0,0]=3 114 B8R0.4 C#CCCCCCCI AT14299 [0,2,0,0,0,0|1,0,0]=3 115 B8R0.4 C#CCCCCCCN AT24987 [0,2,0,0,0,0|1,0,0]=3 116 B8R0.4 C#CCCCCCCN D76981 [0,2,0,0,0,0|1,0,0]=3 117 B8R0.4 COCCOCCON C70681 [0,2,0,0,0,0|1,1,0]=4 118 B8R0.7 NCCCOCC(F)F E72835 [0,2,0,0,0,0|2,0,0]=4 119 B8R0.19 CCC(C)CC(C)CC T71466 [0,2,0,0,0,0|1,0,0]=3 120 B8R0.25 CCCC[C@](C)(N)CO AT16769 [0,2,0,0,0,0|0,1,0]=3 121 B8R0.25 CCCC[C@](C)(N)CO AT16779 [0,2,0,0,0,0|0,1,0]=3 122 B8R0.5 CC(C)C[C@@H](N)CCO AT14312 [0,2,0,0,0,0|0,1,0]=3 123 B8R0.21 [2H]C([2H])([2H])CCCCI D99394 [0,2,0,0,0,0|2,0,0]=4 124 B8R0.21 [2H]C([2H])([2H])CCCCO D97922 [0,2,0,0,0,0|1,1,0]=4 125 B6R1.2 Br[C@H]1CCNC1 D87521 [1,0,0,1,0,0|2,0,0]=4 126 B6R1.3 NCCN1CC1 P18027 [1,0,0,1,0,0|2,0,0]=4 127 B6R1.3 OCC[C@H]1CO1 D72936 [1,0,0,1,0,0|1,1,0]=4 128 B6R1.3 OCC[C@H]1CO1 D74321 [1,0,0,1,0,0|1,1,0]=4 129 B6R1.4 CC1CCC1N AT10478 [1,0,0,1,0,0|1,0,0]=3 130 B6R1.4 CC1CCC1O AC8042 [1,0,0,1,0,0|0,1,0]=3 131 B6R1.4 CC1CNC1C E72893 [1,0,0,1,0,0|1,0,0]=3 132 B6R1.4 C[C@@H]1NC[C@@H]1F AT24718 [1,0,0,1,0,0|2,0,0]=4 133 B6R1.4 C[C@@H]1NC[C@@H]1F AT24722 [1,0,0,1,0,0|2,0,0]=4 134 B6R1.4 C[C@H]1NC[C@@H]1F AT24723 [1,0,0,1,0,0|2,0,0]=4 135 B6R1.4 C[C@H]1NC[C@@H]1F D79132 [1,0,0,1,0,0|2,0,0]=4 136 B6R1.4 N[C@@H]1CC[C@@H]1O P20950 [1,0,0,1,0,0|1,1,0]=4 137 B6R1.4 N[C@@H]1CC[C@@H]1O P20953 [1,0,0,1,0,0|1,1,0]=4 138 B6R1.6 CNC1COC1 20485 [1,0,0,1,0,0|2,0,0]=4 139 B6R1.6 CNC1CSC1 AT25559 [1,0,0,1,0,0|2,0,0]=4 140 B6R1.6 FC[C@H]1CCN1 P12566 [1,0,0,1,0,0|2,0,0]=4 141 B6R1.6 FC[C@H]1CCN1 P13956 [1,0,0,1,0,0|2,0,0]=4 142 B6R1.6 FC[C@H]1CCN1 P14908 [1,0,0,1,0,0|2,0,0]=4 143 B6R1.6 NOC1CCC1 97654 [1,0,0,1,0,0|2,0,0]=4 144 B6R1.6 OCC1CSC1 P14098 [1,0,0,1,0,0|1,1,0]=4 145 B6R1.8 CC1CC1CN E73335 [1,0,0,1,0,0|1,0,0]=3 146 B6R1.8 COC1CC1N 92032 [1,0,0,1,0,0|2,0,0]=4 147 B6R1.8 CO[C@H]1C[C@@H]1N AT11447 [1,0,0,1,0,0|2,0,0]=4 148 B6R1.8 CO[C@H]1C[C@@H]1N D74325 [1,0,0,1,0,0|2,0,0]=4 149 B6R1.8 C[C@H]1C[C@@H]1C=O AT23548 [1,0,0,1,0,0|0,1,1]=4 150 B6R1.8 C[C@H]1C[C@@H]1CBr 55227 [1,0,0,1,0,0|1,0,0]=3 151 B6R1.8 C[C@H]1C[C@@H]1CBr AT23414 [1,0,0,1,0,0|1,0,0]=3 152 B6R1.8 C[C@H]1C[C@@H]1CBr AT23416 [1,0,0,1,0,0|1,0,0]=3 153 B6R1.8 C[C@H]1C[C@@H]1CN 73150 [1,0,0,1,0,0|1,0,0]=3 154 B6R1.8 C[C@H]1C[C@@H]1CO AT23417 [1,0,0,1,0,0|0,1,0]=3 155 B6R1.8 C[C@H]1C[C@@H]1CO AT23419 [1,0,0,1,0,0|0,1,0]=3 156 B6R1.8 NC1CC1CF AT23905 [1,0,0,1,0,0|2,0,0]=4 157 B6R1.8 N[C@H]1C[C@@H]1CF AT13342 [1,0,0,1,0,0|2,0,0]=4 158 B6R1.8 N[C@H]1C[C@@H]1CF AT23917 [1,0,0,1,0,0|2,0,0]=4 159 B6R1.8 N[C@H]1C[C@@H]1CO AT13340 [1,0,0,1,0,0|1,1,0]=4 160 B6R1.8 N[C@H]1C[C@H]1CF AT23916 [1,0,0,1,0,0|2,0,0]=4 161 B6R1.8 N[C@H]1C[C@H]1CO AT12843 [1,0,0,1,0,0|1,1,0]=4 162 B6R1.8 OCC1CC1Cl AT20161 [1,0,0,1,0,0|1,1,0]=4 163 B6R1.8 OC[C@@H]1C[C@@H]1F 97730 [1,0,0,1,0,0|1,1,0]=4 164 B6R1.8 OC[C@@H]1C[C@@H]1F CS3456 [1,0,0,1,0,0|1,1,0]=4 165 B6R1.8 OC[C@@H]1C[C@@H]1F CS3462 [1,0,0,1,0,0|1,1,0]=4 166 B6R1.8 OC[C@H]1C[C@@H]1F CS3465 [1,0,0,1,0,0|1,1,0]=4 167 B8R1.2 C#C[C@@H]1CCCCO1 AT10034 [0,1,0,1,0,0|0,1,1]=4 168 B8R1.2 C#C[C@@H]1CCCCO1 AT10035 [0,1,0,1,0,0|0,1,1]=4 169 B8R1.2 C#C[C@@H]1CCCCO1 AT10036 [0,1,0,1,0,0|0,1,1]=4 170 B8R1.2 C#C[C@H]1CCCOC1 AT10092 [0,1,0,1,0,0|1,0,1]=4 171 B8R1.2 C#C[C@H]1CCCOC1 AT10093 [0,1,0,1,0,0|1,0,1]=4 172 B8R1.2 CC[C@H]1CCCCN1 I11451 [0,1,0,1,0,0|1,0,0]=3 173 B8R1.2 CC[C@H]1CNCCN1 77623 [0,1,0,1,0,0|1,0,0]=3 174 B8R1.2 FC[C@H]1CCCCN1 P14250 [0,1,0,1,0,0|1,0,0]=3 175 B8R1.2 FC[C@H]1CNCCN1 61665 [0,1,0,1,0,0|2,0,0]=4 176 B8R1.2 FC[C@H]1CNCCN1 AT10420 [0,1,0,1,0,0|2,0,0]=4 177 B8R1.2 FC[C@H]1CNCCN1 AT10423 [0,1,0,1,0,0|2,0,0]=4 178 B8R1.2 FC[C@H]1CNCCN1 AT11400 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.2 FC[C@H]1CNCCN1 AT11401 [0,1,0,1,0,0|2,0,0]=4 180 B8R1.2 N#C[C@@H]1CCCCN1 P10260 [0,1,0,1,0,0|1,0,1]=4 181 B8R1.2 N#C[C@@H]1CCCCN1 P14176 [0,1,0,1,0,0|1,0,1]=4 182 B8R1.2 N#C[C@@H]1CCCCN1 P17878 [0,1,0,1,0,0|1,0,1]=4 183 B8R1.2 NC[C@H]1CCCOC1 P12202 [0,1,0,1,0,0|1,0,0]=3 184 B8R1.2 NC[C@H]1CCCOC1 P12792 [0,1,0,1,0,0|1,0,0]=3 185 B8R1.2 NC[C@H]1CNCCO1 AT21336 [0,1,0,1,0,0|1,1,0]=4 186 B8R1.2 NC[C@H]1CNCCO1 AT21337 [0,1,0,1,0,0|1,1,0]=4 187 B8R1.2 NC[C@H]1CNCCO1 AT21338 [0,1,0,1,0,0|1,1,0]=4 188 B8R1.2 O=C[C@H]1CCCOC1 AT10090 [0,1,0,1,0,0|0,1,1]=4 189 B8R1.2 O=C[C@H]1CCCOC1 AT10091 [0,1,0,1,0,0|0,1,1]=4 190 B8R1.2 OC[C@H]1CSCCN1 AT25274 [0,1,0,1,0,0|1,1,0]=4 191 B8R1.5 CC1CSCCC1N 70873 [0,1,0,1,0,0|1,0,0]=3 192 B8R1.5 C[C@@H]1CCCC[C@@H]1N FD10501 [0,1,0,1,0,0|1,0,0]=3 193 B8R1.5 C[C@@H]1CCNC[C@@H]1F AT23522 [0,1,0,1,0,0|1,0,0]=3 194 B8R1.5 C[C@@H]1CCNC[C@@H]1O P13523 [0,1,0,1,0,0|0,1,0]=3 195 B8R1.5 C[C@@H]1COCC[C@@H]1N CS2010 [0,1,0,1,0,0|1,0,0]=3 196 B8R1.5 C[C@@H]1COCC[C@@H]1N D75982 [0,1,0,1,0,0|1,0,0]=3 197 B8R1.5 C[C@@H]1OCCN[C@@H]1C 90059 [0,1,0,1,0,0|1,1,0]=4 198 B8R1.5 C[C@@H]1OCCN[C@@H]1C W15992 [0,1,0,1,0,0|1,1,0]=4 199 B8R1.5 C[C@H]1COCC[C@@H]1N P13195 [0,1,0,1,0,0|1,0,0]=3 200 B8R1.5 NC1CCCCC1F 72734 [0,1,0,1,0,0|1,0,0]=3 201 B8R1.5 NC1CCOCC1F C14730 [0,1,0,1,0,0|2,0,0]=4 202 B8R1.5 N[C@@H]1CCOC[C@@H]1F D75516 [0,1,0,1,0,0|2,0,0]=4 203 B8R1.5 N[C@@H]1CCOC[C@@H]1F P14712 [0,1,0,1,0,0|2,0,0]=4 204 B8R1.5 N[C@@H]1CCOC[C@@H]1F P19435 [0,1,0,1,0,0|2,0,0]=4 205 B8R1.5 N[C@@H]1CCOC[C@@H]1O P13194 [0,1,0,1,0,0|1,1,0]=4 206 B8R1.5 N[C@@H]1CCOC[C@@H]1O P13230 [0,1,0,1,0,0|1,1,0]=4 207 B8R1.5 N[C@H]1CCNC[C@@H]1O D76966 [0,1,0,1,0,0|1,1,0]=4 208 B8R1.5 OC1CNCCC1F 72696 [0,1,0,1,0,0|1,1,0]=4 209 B8R1.5 O[C@@H]1CCOC[C@@H]1F P17831 [0,1,0,1,0,0|1,1,0]=4 210 B8R1.5 O[C@@H]1CCOC[C@@H]1F P18924 [0,1,0,1,0,0|1,1,0]=4 211 B8R1.5 O[C@H]1CCNC[C@@H]1F P14099 [0,1,0,1,0,0|1,1,0]=4 212 B8R1.5 O[C@H]1CNCC[C@H]1O 39437 [0,1,0,1,0,0|1,1,0]=4 213 B8R1.8 BrCC[C@H]1CCCN1 C77427 [0,1,0,1,0,0|1,0,0]=3 214 B8R1.8 COC[C@H]1CCNC1 P12587 [0,1,0,1,0,0|1,1,0]=4 215 B8R1.8 NCC[C@H]1CCCO1 AT11472 [0,1,0,1,0,0|0,1,0]=3 216 B8R1.8 NOCC1CCCC1 Y11655 [0,1,0,1,0,0|0,1,0]=3 217 B8R1.8 O=CC[C@H]1CCOC1 E72813 [0,1,0,1,0,0|0,1,1]=4 218 B8R1.10 OCCCC1CCC1 F52481 [0,1,0,1,0,0|0,1,0]=3 219 B8R1.10 OCCNC1COC1 E72818 [0,1,0,1,0,0|1,1,0]=4 220 B8R1.10 OCCOC1CCC1 92926 [0,1,0,1,0,0|0,1,0]=3 221 B8R1.11 C#C[C@@H]1CCC[C@@H]1O AC1025 [0,1,0,1,0,0|0,1,1]=4 222 B8R1.11 CC[C@@H]1NCCC1=O AT25614 [0,1,0,1,0,0|0,1,1]=4 223 B8R1.11 CO[C@H]1COC[C@@H]1N D72866 [0,1,0,1,0,0|2,0,0]=4 224 B8R1.11 C[C@@H]1OCC[C@@H]1CN 73022 [0,1,0,1,0,0|1,0,0]=3 225 B8R1.11 N#C[C@@H]1CCC[C@@H]1N P12194 [0,1,0,1,0,0|1,0,1]=4 226 B8R1.11 NC1COCC1CO AT19653 [0,1,0,1,0,0|1,1,0]=4 227 B8R1.11 NC1COCC1CO AT19655 [0,1,0,1,0,0|1,1,0]=4 228 B8R1.11 NC[C@H]1COC[C@@H]1O P15682 [0,1,0,1,0,0|1,1,0]=4 229 B8R1.11 N[C@H]1CCC[C@@H]1CO AT21376 [0,1,0,1,0,0|0,1,0]=3 230 B8R1.11 N[C@H]1CCC[C@@H]1CO AT21377 [0,1,0,1,0,0|0,1,0]=3 231 B8R1.11 N[C@H]1COC[C@@H]1CO AT19661 [0,1,0,1,0,0|1,1,0]=4 232 B8R1.11 N[C@H]1COC[C@@H]1CO AT19676 [0,1,0,1,0,0|1,1,0]=4 233 B8R1.11 N[C@H]1COC[C@@H]1CO AT19677 [0,1,0,1,0,0|1,1,0]=4 234 B8R1.11 N[C@H]1COC[C@H]1CO AT19648 [0,1,0,1,0,0|1,1,0]=4 235 B8R1.11 N[C@H]1COC[C@H]1CO AT19656 [0,1,0,1,0,0|1,1,0]=4 236 B8R1.11 N[C@H]1COC[C@H]1CO AT19659 [0,1,0,1,0,0|1,1,0]=4 237 B8R1.11 OC[C@H]1CCC[C@@H]1F 73086 [0,1,0,1,0,0|0,1,0]=3 238 B8R1.12 CCN1CC[C@@H]1CN E73268 [0,1,0,1,0,0|1,0,0]=3 239 B8R1.12 CNC1CCC1OC AT11411 [0,1,0,1,0,0|1,1,0]=4 240 B8R1.13 COCC1CCC1N AT20685 [0,1,0,1,0,0|1,0,0]=3 241 B8R1.17 COC[C@H]1C[C@@H]1CN AT20748 [0,1,0,1,0,0|1,0,0]=3 242 B8R1.17 COC[C@H]1C[C@@H]1CN AT20754 [0,1,0,1,0,0|1,0,0]=3 243 B8R1.17 NCCC1CC1CO AT22591 [0,1,0,1,0,0|0,1,0]=3 244 B8R1.22 C[C@H]1CCNCCN1 91998 [0,1,0,1,0,0|1,0,0]=3 245 B8R1.22 C[C@H]1CCNCCN1 91999 [0,1,0,1,0,0|1,0,0]=3 246 B8R1.22 C[C@H]1CCOCCN1 33399 [0,1,0,1,0,0|1,0,0]=3 247 B8R1.22 C[C@H]1CNCCCN1 D76103 [0,1,0,1,0,0|1,0,0]=3 248 B8R1.22 C[C@H]1COCCCN1 AT11439 [0,1,0,1,0,0|1,0,0]=3 249 B8R1.22 C[C@H]1COCCCN1 AT11440 [0,1,0,1,0,0|1,0,0]=3 250 B8R1.22 F[C@H]1CCCCNC1 72488 [0,1,0,1,0,0|1,0,0]=3 251 B8R1.22 F[C@H]1CCCCNC1 AT25232 [0,1,0,1,0,0|1,0,0]=3 252 B8R1.22 F[C@H]1CCCCNC1 AT25234 [0,1,0,1,0,0|1,0,0]=3 253 B8R1.22 NC1CCC=CCC1 E73311 [0,1,0,1,0,0|1,0,1]=4 254 B8R1.22 NC1CNCCNC1 D86033 [0,1,0,1,0,0|2,0,0]=4 255 B8R1.22 OC1CNCCNC1 AT21564 [0,1,0,1,0,0|1,1,0]=4 256 B8R1.22 O[C@H]1CCCCNC1 AT25228 [0,1,0,1,0,0|0,1,0]=3 257 B8R1.22 O[C@H]1CCCCNC1 AT25231 [0,1,0,1,0,0|0,1,0]=3 258 B8R1.22 O[C@H]1CCCNCC1 AT25235 [0,1,0,1,0,0|0,1,0]=3 259 B8R1.22 O[C@H]1CCCNCC1 AT25242 [0,1,0,1,0,0|0,1,0]=3 260 B8R1.22 O[C@H]1CNCCOC1 AT25211 [0,1,0,1,0,0|1,1,0]=4 261 B8R1.22 O[C@H]1CNCCOC1 AT25212 [0,1,0,1,0,0|1,1,0]=4 262 B8R1.22 O[C@H]1CNCCOC1 AT25213 [0,1,0,1,0,0|1,1,0]=4 263 B8R1.22 SC1CCCCCC1 D76599 [0,1,0,1,0,0|0,0,0]=2 264 B8R1.36 NOCCCC1CC1 AT26811 [0,1,0,1,0,0|0,1,0]=3 265 B8R1.1 C[C@@H]1CC[C@H](CO)N1 W10038 [0,1,0,1,0,0|0,1,0]=3 266 B8R1.1 C[C@H]1CN[C@@H](CF)C1 W10040 [0,1,0,1,0,0|2,0,0]=4 267 B8R1.1 N#CC1CCC(N)C1 AT11524 [0,1,0,1,0,0|1,0,1]=4 268 B8R1.1 NCC1CCC(O)C1 D76686 [0,1,0,1,0,0|1,0,0]=3 269 B8R1.1 N[C@@H]1CN[C@H](CO)C1 91825 [0,1,0,1,0,0|1,1,0]=4 270 B8R1.1 O=C1CC[C@H](CCl)C1 AT22684 [0,1,0,1,0,0|1,0,1]=4 271 B8R1.1 O=C1CC[C@H](CI)C1 AT22686 [0,1,0,1,0,0|1,0,1]=4 272 B8R1.1 OCC1CCC(O)C1 D76829 [0,1,0,1,0,0|0,1,0]=3 273 B8R1.1 OC[C@@H]1CC[C@H](F)C1 AT22253 [0,1,0,1,0,0|0,1,0]=3 274 B8R1.1 OC[C@@H]1C[C@H](O)CO1 C15028 [0,1,0,1,0,0|1,1,0]=4 275 B8R1.1 OC[C@@H]1C[C@H](O)CO1 C73873 [0,1,0,1,0,0|1,1,0]=4 276 B8R1.1 OC[C@H]1CC[C@H](F)C1 AT22254 [0,1,0,1,0,0|0,1,0]=3 277 B8R1.3 C=C1CCC(O)CC1 AT15311 [0,1,0,1,0,0|0,1,1]=4 278 B8R1.3 C[C@@H]1CC[C@H](O)CN1 W10035 [0,1,0,1,0,0|1,0,0]=3 279 B8R1.3 C[C@H]1CC[C@H](C)CC1 F10496 [0,1,0,1,0,0|1,0,0]=3 280 B8R1.3 C[C@H]1CC[C@H](O)CN1 73247 [0,1,0,1,0,0|1,0,0]=3 281 B8R1.3 C[C@H]1CC[C@H](O)CN1 W10034 [0,1,0,1,0,0|1,0,0]=3 282 B8R1.3 C[C@H]1CC[C@H](O)CN1 W11753 [0,1,0,1,0,0|1,0,0]=3 283 B8R1.3 C[C@H]1CN[C@@H](C)CN1 AT17299 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AC8572 [0,1,0,1,0,0|1,1,0]=4 285 B8R1.3 OC1CCC(S)CC1 D76598 [0,1,0,1,0,0|0,0,0]=2 286 B8R1.38 C#C[C@@H](N)C1CCC1 AT11754 [0,1,0,1,0,0|1,0,1]=4 287 B8R1.38 C#C[C@@H](N)C1CCC1 AT11755 [0,1,0,1,0,0|1,0,1]=4 288 B8R1.38 N[C@@H](CO)C1CCC1 N11335 [0,1,0,1,0,0|0,1,0]=3 289 B8R1.41 OCCCC1(O)CC1 AT24657 [0,1,0,1,0,0|0,1,0]=3 290 B8R1.47 CN[C@H]1C[C@H](CO)C1 D96660 [0,1,0,1,0,0|1,1,0]=4 291 B8R1.47 COC1CC(CBr)C1 C77424 [0,1,0,1,0,0|2,0,0]=4 292 B8R1.47 CO[C@H]1C[C@@H](CN)C1 P13512 [0,1,0,1,0,0|2,0,0]=4 293 B8R1.47 CO[C@H]1C[C@H](CN)C1 P13513 [0,1,0,1,0,0|2,0,0]=4 294 B8R1.47 NC[C@H]1C[C@@H](CO)C1 P14792 [0,1,0,1,0,0|1,1,0]=4 295 B8R1.50 CC1CCC(C)C1N N13148 [0,1,0,1,0,0|1,0,0]=3 296 B8R1.52 C#CC1(N)CCCC1 AT26293 [0,1,0,1,0,0|1,0,1]=4 297 B8R1.52 CC1(CBr)CCCC1 57443 [0,1,0,1,0,0|1,0,0]=3 298 B8R1.52 CC[C@@]1(C)CCNC1 AT25604 [0,1,0,1,0,0|2,0,0]=4 299 B8R1.52 CC[C@]1(F)CCNC1 P14031 [0,1,0,1,0,0|2,0,0]=4 300 B8R1.52 CC[C@]1(O)CCOC1 69115 [0,1,0,1,0,0|2,0,0]=4 301 B8R1.52 C[C@]1(CBr)CCOC1 P13014 [0,1,0,1,0,0|2,0,0]=4 302 B8R1.52 C[C@]1(CO)CCOC1 D96840 [0,1,0,1,0,0|1,1,0]=4 303 B8R1.52 C[C@]1(CO)CCOC1 D96841 [0,1,0,1,0,0|1,1,0]=4 304 B8R1.52 OC[C@]1(F)CCOC1 AT22083 [0,1,0,1,0,0|1,1,0]=4 305 B8R1.4 C[C@@H]1CNC[C@@H](O)C1 AT13826 [0,1,0,1,0,0|1,1,0]=4 306 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [0,1,0,1,0,0|0,1,1]=4 307 B8R1.4 C[C@H]1CCC[C@H](N)C1 94624 [0,1,0,1,0,0|1,0,0]=3 308 B8R1.4 C[C@H]1CNC[C@H](C)N1 C15745 [0,1,0,1,0,0|2,0,0]=4 309 B8R1.4 C[C@H]1CNC[C@H](C)N1 P10621 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.4 C[C@H]1COC[C@H](C)N1 D72922 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.4 C[C@H]1COC[C@H](C)N1 F17621 [0,1,0,1,0,0|2,0,0]=4 312 B8R1.4 C[C@H]1C[C@@H](N)CCO1 D79497 [0,1,0,1,0,0|0,1,0]=3 313 B8R1.4 N[C@@H]1CCC[C@H](F)C1 P18319 [0,1,0,1,0,0|1,0,0]=3 314 B8R1.4 N[C@@H]1CCC[C@H](O)C1 W10001 [0,1,0,1,0,0|0,1,0]=3 315 B8R1.4 N[C@H]1CCC[C@H](O)C1 W10002 [0,1,0,1,0,0|0,1,0]=3 316 B8R1.4 O[C@@H]1CNC[C@@H](O)C1 AT24411 [0,1,0,1,0,0|1,1,0]=4 317 B8R1.6 CCO[C@H]1C[C@@H](O)C1 AT13089 [0,1,0,1,0,0|1,1,0]=4 318 B8R1.6 CCO[C@H]1C[C@H](N)C1 P13634 [0,1,0,1,0,0|2,0,0]=4 319 B8R1.6 CCO[C@H]1C[C@H](O)C1 AT13088 [0,1,0,1,0,0|1,1,0]=4 320 B8R1.6 NCCN1CC(F)C1 AT15721 [0,1,0,1,0,0|2,0,0]=4 321 B8R1.7 CC(=O)[C@@H]1CCCO1 74399 [0,1,0,1,0,0|0,1,1]=4 322 B8R1.7 CC(O)C1CCOC1 AT21453 [0,1,0,1,0,0|1,1,0]=4 323 B8R1.7 C[C@H](N)[C@@H]1CCCO1 W15865 [0,1,0,1,0,0|0,1,0]=3 324 B8R1.7 C[C@H](O)C1CCOC1 AT21454 [0,1,0,1,0,0|1,1,0]=4 325 B8R1.7 C[C@H](O)C1CCOC1 AT21455 [0,1,0,1,0,0|1,1,0]=4 326 B8R1.7 C[C@H](O)[C@@H]1CCCO1 E72115 [0,1,0,1,0,0|0,1,0]=3 327 B8R1.19 CC1(C)CCC[C@@H]1N P21031 [0,1,0,1,0,0|1,0,0]=3 328 B8R1.19 CC1(C)CNC[C@@H]1O C91233 [0,1,0,1,0,0|1,1,0]=4 329 B8R1.19 CC1(C)CNC[C@@H]1O F12502 [0,1,0,1,0,0|1,1,0]=4 330 B8R1.19 CC1(C)CNC[C@@H]1O F12503 [0,1,0,1,0,0|1,1,0]=4 331 B8R1.19 CC1(O)CCCC1N AT16546 [0,1,0,1,0,0|1,0,0]=3 332 B8R1.19 C[C@]1(O)CCC[C@@H]1N D77066 [0,1,0,1,0,0|1,0,0]=3 333 B8R1.19 N[C@H]1CCCC1(F)F C16718 [0,1,0,1,0,0|2,0,0]=4 334 B8R1.20 CC1CC1CC(=O)O E72880 [0,1,0,1,0,0|0,1,1]=4 335 B8R1.27 CNC[C@H]1CC1(F)F AT23763 [0,1,0,1,0,0|2,0,0]=4 336 B8R1.27 NCC[C@H]1CC1(F)F AT12582 [0,1,0,1,0,0|2,0,0]=4 337 B8R1.31 CN(C)[C@H]1CC[C@@H]1N AT26494 [0,1,0,1,0,0|2,0,0]=4 338 B8R1.34 CN(C)C[C@H]1CCN1 D74974 [0,1,0,1,0,0|2,0,0]=4 339 B8R1.34 FC(F)CC1CNC1 E72934 [0,1,0,1,0,0|2,0,0]=4 340 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12376 [0,1,0,1,0,0|0,1,1]=4 341 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12377 [0,1,0,1,0,0|0,1,1]=4 342 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT23983 [0,1,0,1,0,0|0,1,1]=4 343 B8R1.43 NC[C@H]1C[C@H]1C(F)F AT13369 [0,1,0,1,0,0|2,0,0]=4 344 B8R1.43 OCC1CC1C(F)F AT23919 [0,1,0,1,0,0|1,1,0]=4 345 B8R1.43 OC[C@@H]1C[C@H]1C(F)F AT23918 [0,1,0,1,0,0|1,1,0]=4 346 B8R1.43 OC[C@@H]1C[C@H]1C(F)F AT23921 [0,1,0,1,0,0|1,1,0]=4 347 B8R1.43 OC[C@H]1C[C@H]1C(F)F AT23920 [0,1,0,1,0,0|1,1,0]=4 348 B8R1.48 NC[C@H]1CCC1(F)F P17081 [0,1,0,1,0,0|2,0,0]=4 349 B8R1.72 CC1(C)CCCCN1 AT24207 [0,1,0,1,0,0|1,0,0]=3 350 B8R1.72 CC1(C)CNCCS1 AT25269 [0,1,0,1,0,0|1,0,0]=3 351 B8R1.72 CC1(C)CSCCN1 AT10787 [0,1,0,1,0,0|2,0,0]=4 352 B8R1.72 C[C@]1(F)CCCNC1 73130 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.72 C[C@]1(O)CCCNC1 P19254 [0,1,0,1,0,0|1,1,0]=4 354 B8R1.18 N[C@@H]1C[C@H](O)[C@H](O)C1 F50032 [0,1,0,1,0,0|1,1,0]=4 355 B8R1.18 N[C@H]1C[C@@H](O)C[C@@H]1O AT24208 [0,1,0,1,0,0|1,1,0]=4 356 B8R1.37 C=CC[C@H](O)C1CC1 C91071 [0,1,0,1,0,0|1,0,1]=4 357 B8R1.37 N[C@@H](CCO)C1CC1 F53372 [0,1,0,1,0,0|0,1,0]=3 358 B8R1.37 N[C@@H](CCO)C1CC1 F53459 [0,1,0,1,0,0|0,1,0]=3 359 B8R1.37 N[C@@H](CCO)C1CC1 F53754 [0,1,0,1,0,0|0,1,0]=3 360 B8R1.66 NCCC1(N)CCC1 89659 [0,1,0,1,0,0|1,0,0]=3 361 B8R1.66 NCCC1(O)CCC1 AT11470 [0,1,0,1,0,0|1,0,0]=3 362 B8R1.80 CCO[C@@]1(C)C[C@H]1N AT11450 [0,1,0,1,0,0|2,0,0]=4 363 B8R2.11 Br[C@H]1[C@@H]2CNC[C@H]12 E73244 [0,0,0,2,0,0|2,0,0]=4 364 B8R2.11 FC1C2CNCC12 D78990 [0,0,0,2,0,0|2,0,0]=4 365 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 P12547 [0,0,0,2,0,0|2,0,0]=4 366 B8R2.11 N[C@H]1[C@H]2COC[C@@H]12 W15523 [0,0,0,2,0,0|2,0,0]=4 367 B8R2.11 O[C@H]1[C@@H]2CNC[C@H]12 38334 [0,0,0,2,0,0|1,1,0]=4 368 B8R2.22 C1CC2CNCC12 P11721 [0,0,0,2,0,0|1,0,0]=3 369 B8R2.22 C1C[C@@H]2CC[C@@H]2N1 AT26761 [0,0,0,2,0,0|1,0,0]=3 370 B8R2.22 C1C[C@@H]2NC[C@@H]2O1 E73352 [0,0,0,2,0,0|1,1,0]=4 371 B8R2.22 C1C[C@H]2CNC[C@@H]12 AT20514 [0,0,0,2,0,0|1,0,0]=3 372 B8R2.22 C1NC2COCC12 AT25962 [0,0,0,2,0,0|1,1,0]=4 373 B8R2.34 C1S[C@@H]2CN[C@H]1C2 E72914 [0,0,0,2,0,0|1,0,0]=3 374 B8R2.2 N[C@@]12COC[C@@H]1C2 E73224 [0,0,0,2,0,0|2,0,0]=4 375 B8R2.2 OC12CNCC1C2 85308 [0,0,0,2,0,0|1,1,0]=4 376 B8R2.18 N[C@H]1C[C@@H]2C[C@@H]2C1 P14914 [0,0,0,2,0,0|1,0,0]=3 377 B8R2.23 C1NCC2CC1C2 27063 [0,0,0,2,0,0|2,0,0]=4 378 B8R2.23 C1NCC2CC1O2 32911 [0,0,0,2,0,0|1,1,0]=4 379 B8R2.23 C1OCC2CC1N2 F18884 [0,0,0,2,0,0|2,0,0]=4 380 B8R2.23 C1OCC2CC1N2 W14568 [0,0,0,2,0,0|2,0,0]=4 381 B8R2.25 C1CC2CC2CN1 D73121 [0,0,0,2,0,0|1,0,0]=3 382 B8R2.25 C1CC2NC2CO1 D77143 [0,0,0,2,0,0|1,1,0]=4 383 B8R2.25 C1CCC2NC2C1 AT21517 [0,0,0,2,0,0|1,0,0]=3 384 B8R2.38 NC1CCC2CC12 P12183 [0,0,0,2,0,0|1,0,0]=3 385 B8R2.38 O=C1CC[C@@H]2C[C@H]12 E73217 [0,0,0,2,0,0|0,1,1]=4 386 B8R2.26 NC1CC1C2CC2 AT24619 [0,0,0,2,0,0|1,0,0]=3 387 B8R2.45 N[C@H]1CC12CCC2 E73216 [0,0,0,2,0,0|1,0,0]=3 388 B8R2.1 C1CC([C@@H]2CO2)C1 AT11479 [0,0,0,2,0,0|0,1,0]=3 389 B8R2.1 C1C[C@@H](C2CC2)N1 P10347 [0,0,0,2,0,0|1,0,0]=3 390 B8R2.42 C1CC2(CNC2)O1 52182 [0,0,0,2,0,0|1,1,0]=4 391 B8R2.19 N[C@H]1CCC12CC2 D73354 [0,0,0,2,0,0|1,0,0]=3 392 B8R2.20 BrC[C@H]1CC12CC2 C77435 [0,0,0,2,0,0|1,0,0]=3 393 B8R2.20 NC[C@H]1CC12CC2 D73416 [0,0,0,2,0,0|1,0,0]=3