0 B7R0.7 CCCN(C)CCO Q66069 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.7 CCOC(=O)CCI P36879 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.7 CCOC(=O)NCO Q69358 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCC(S)CCO O29430 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.1 CCC[C@@H](N)CO P35977 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.1 CCC[C@H](N)CO P39535 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.1 CCN(C)CCO Q66070 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.1 CCOC(=N)CCl P38507 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.1 CCC#CC(=O)OCC Q56870 [0,1,0,0,0,0|2,0,1]=4 9 B8R0.3 CCOC(=O)C(N)CC P37453 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.3 CCOC(=O)C(O)CC P37661 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.3 CCOC(=O)[C@@H](N)CC P35145 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.3 CCOC(=O)[C@H](N)CC P41834 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.5 CCOC(=O)CC(C)N P42993 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.5 CCOC(=O)C[C@@H](C)O P39378 [0,1,0,0,0,0|2,0,1]=4 15 B8R0.5 CCOC(=O)C[C@H](C)N Q68957 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.22 CCCC(CBr)CCC O29610 [0,1,0,0,0,0|2,0,0]=3 17 B8R1.4 C=C1CCOC(C)C1 Q54980 [0,0,0,1,0,0|1,0,2]=4 18 B8R1.4 CC1CC(=O)CCO1 A-836 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.4 CC1CC(Br)CCO1 Q57805 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.4 CC1CC(N)CCO1 A-878 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.4 CC1CC(O)CCN1 G-7300 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.4 CC1CC(O)CCN1 L21311 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.4 CC1CC(O)CCO1 A-877 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65231 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65232 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.4 C[C@@H]1CCC[C@@H](N)C1 P49440 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45249 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45891 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P45362 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P49441 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45486 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45892 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.4 C[C@@H]1CN(C)CCN1 L13059 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.4 C[C@@H]1CN(C)CCN1 O33264 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.4 C[C@@H]1CN(C)CCN1 P51464 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 10039 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 G-7092 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 I-9064 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.4 C[C@@H]1COC[C@@H](C)N1 F-4699 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.4 C[C@@H]1COC[C@@H](C)N1 H-8097 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.4 C[C@@H]1COC[C@@H](C)N1 L21766 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.4 C[C@@H]1C[C@H](F)CCN1 Q63705 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.4 C[C@@H]1C[C@H](N)CCO1 Q61448 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.4 C[C@@H]1C[C@H](O)CCN1 G-6431 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.4 C[C@@H]1C[C@H](O)CCN1 Q56468 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.4 C[C@H]1CCC[C@@H](N)C1 P45360 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.4 C[C@H]1CCC[C@@H](O)C1 P45893 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65229 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65230 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.4 C[C@H]1CCC[C@H](N)C1 P45361 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.4 C[C@H]1CCC[C@H](O)C1 P45546 [0,0,0,1,0,0|3,0,0]=4 54 B8R1.4 C[C@H]1CN(C)CCN1 O34294 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.4 C[C@H]1CNC[C@@H](C)N1 G-5759 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.4 C[C@H]1CNC[C@H](C)N1 G-7093 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.4 C[C@H]1CNC[C@H](C)N1 K12343 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.4 C[C@H]1CNC[C@H](C)O1 G-6092 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.4 C[C@H]1CNC[C@H](C)O1 H-8075 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.4 C[C@H]1COC[C@@H](C)N1 G-7868 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.4 C[C@H]1C[C@@H](F)CCN1 Q63704 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.4 C[C@H]1C[C@@H](O)CCN1 G-6430 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.4 C[C@H]1C[C@@H](O)CCN1 Q56467 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.6 CCNC1CN(C)C1 G-7106 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.6 CCOC1CC(=O)C1 P45782 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.6 CCOC1CC(N)C1 L18168 [0,0,0,1,0,0|2,0,0]=3 67 B8R1.6 CCO[C@H]1C[C@@H](N)C1 L18169 [0,0,0,1,0,0|2,0,0]=3 68 B8R1.6 CCO[C@H]1C[C@@H](O)C1 P45783 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.6 CCO[C@H]1C[C@H](N)C1 P43887 [0,0,0,1,0,0|2,0,0]=3 70 B8R1.6 CCO[C@H]1C[C@H](N)C1 P46453 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.6 CCO[C@H]1C[C@H](O)C1 P45429 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.8 BrCCC1CCCC1 P40215 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.8 CCNC1CCOC1 L13931 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.8 CCOC1CCNC1 P42418 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.8 CCO[C@@H]1CCNC1 L14178 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.8 CCO[C@H]1CCNC1 L14118 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.8 CCO[C@H]1CCNC1 P40747 [0,0,0,1,0,0|2,0,0]=3 78 B8R1.8 CNCC1CCCC1 P38031 [0,0,0,1,0,0|3,0,0]=4 79 B8R1.8 CNC[C@@H]1CCCN1 P49799 [0,0,0,1,0,0|3,0,0]=4 80 B8R1.8 CNC[C@H]1CCCN1 P45316 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.8 COCC1CCCN1 O28849 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.8 COC[C@@H]1CCCN1 L14013 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.8 COC[C@H]1CCCN1 P35868 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.8 ICCC1OCCO1 P35885 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.8 NCCC1CCCC1 P37297 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.8 OCCC1CCCC1 P36182 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.8 OCCC1CCCN1 G-5919 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.11 CC1CCCC1CN L20508 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.11 CO[C@@H]1CCN[C@H]1C Q61887 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.11 C[C@@H]1NCC[C@@H]1CO Q62184 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.22 BrC1CCCCCC1 P39447 [0,0,0,1,0,0|3,0,0]=4 92 B8R1.22 CC1CCNCCN1 L14127 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.66 CCOC1(C)CNC1 P40382 [0,0,0,1,0,0|2,0,0]=3 94 B5R0.1 CC(O)CCN M22972 [2,0,0,0,0,0|2,0,0]=4 95 B5R0.1 CCC[C@H](C)N I-9318 [2,0,0,0,0,0|2,0,0]=4 96 B5R0.1 CNCC(C)O P40721 [2,0,0,0,0,0|2,0,0]=4 97 B5R0.1 CNC[C@@H](C)O P41738 [2,0,0,0,0,0|2,0,0]=4 98 B5R0.1 CNC[C@H](C)O P36531 [2,0,0,0,0,0|2,0,0]=4 99 B5R0.2 C#CCOCC O29883 [2,0,0,0,0,0|0,0,2]=4 100 B5R0.2 CCNCCCl L21040 [2,0,0,0,0,0|2,0,0]=4 101 B5R0.3 CC(CBr)CBr O34172 [2,0,0,0,0,0|2,0,0]=4 102 B5R0.3 CC(CN)CO O30604 [2,0,0,0,0,0|2,0,0]=4 103 B5R0.3 CCC(C)NN O30637 [2,0,0,0,0,0|2,0,0]=4 104 B5R0.3 CNC(C)CO M23268 [2,0,0,0,0,0|2,0,0]=4 105 B5R0.3 CN[C@@H](C)CO P38191 [2,0,0,0,0,0|2,0,0]=4 106 B5R0.3 CN[C@H](C)CO P41018 [2,0,0,0,0,0|2,0,0]=4 107 B5R0.3 COC(C)CN P36510 [2,0,0,0,0,0|1,0,0]=3 108 B7R0.3 CCOCC(O)CN L19068 [1,1,0,0,0,0|2,0,0]=4 109 B7R0.5 CCCC(C)C(C)N L19280 [1,1,0,0,0,0|1,0,0]=3 110 B7R0.10 CCC(=O)N(C)OC P42839 [1,1,0,0,0,0|2,0,0]=4 111 B7R0.1 CCCCOCCN P36925 [1,1,0,0,0,0|1,0,0]=3 112 B7R0.1 COCCOCCN P38878 [1,1,0,0,0,0|2,0,0]=4 113 B7R0.1 NCCCOCCO P34738 [1,1,0,0,0,0|2,0,0]=4 114 B7R1.1 CC[C@@H]1CCNC1 L14526 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.1 CC[C@H]1CCNC1 L14527 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.1 CNC1CCCC1 P36274 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.1 COC1CCNC1 C-2248 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.1 CO[C@@H]1CCNC1 C-2249 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.1 CO[C@H]1CCNC1 C-2250 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.1 FCC1CCCN1 Q52409 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.1 FC[C@@H]1CCCN1 G-5688 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.1 FC[C@@H]1CCCN1 Q61799 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.1 FC[C@H]1CCCN1 I-9901 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.1 FC[C@H]1CCCN1 Q51944 [1,0,0,1,0,0|2,0,0]=4 125 B7R1.1 ICC1CCCC1 P39098 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.1 NCC1CCCC1 F-4714 [1,0,0,1,0,0|2,0,0]=4 127 B7R1.1 NCC1CCCC1 L14012 [1,0,0,1,0,0|2,0,0]=4 128 B7R1.1 NCC1CCCN1 P37060 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.1 NC[C@@H]1CCCN1 G-5891 [1,0,0,1,0,0|2,0,0]=4 130 B7R1.1 NC[C@H]1CCCN1 P42386 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.1 OCC1OCCO1 O33317 [1,0,0,1,0,0|2,0,0]=4 132 B7R1.1 OC[C@@H]1CCCO1 O32723 [1,0,0,1,0,0|1,0,0]=3 133 B7R1.2 CC1=NC(C)CO1 M15289 [1,0,0,1,0,0|1,0,1]=4 134 B7R1.2 CC1CCC(N)C1 Q56970 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.2 C[C@@H]1CC[C@@H](C)N1 O32970 [1,0,0,1,0,0|1,0,0]=3 136 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61707 [1,0,0,1,0,0|1,0,0]=3 137 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61742 [1,0,0,1,0,0|1,0,0]=3 138 B7R1.2 C[C@@H]1CN[C@@H](C)C1 Q61627 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.2 C[C@H]1CC[C@@H](C)N1 O32965 [1,0,0,1,0,0|1,0,0]=3 140 B7R1.2 C[C@H]1CC[C@@H](C)N1 Q61708 [1,0,0,1,0,0|1,0,0]=3 141 B7R1.3 CC1CNCCO1 B-1061 [1,0,0,1,0,0|1,0,0]=3 142 B7R1.3 CC1CNCCO1 B-1061-1 [1,0,0,1,0,0|1,0,0]=3 143 B7R1.3 CC1COCCN1 B-1060 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.3 CC1COCCN1 O28936 [1,0,0,1,0,0|2,0,0]=4 145 B7R1.3 C[C@@H]1CCCCN1 P40572 [1,0,0,1,0,0|1,0,0]=3 146 B7R1.3 C[C@@H]1CCCNC1 Q55825 [1,0,0,1,0,0|2,0,0]=4 147 B7R1.3 C[C@@H]1CNCCO1 B-1063 [1,0,0,1,0,0|1,0,0]=3 148 B7R1.3 C[C@@H]1CNCCO1 B-1063-1 [1,0,0,1,0,0|1,0,0]=3 149 B7R1.3 C[C@@H]1COCCN1 B-1058 [1,0,0,1,0,0|2,0,0]=4 150 B7R1.3 C[C@@H]1COCCN1 P34848 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.3 C[C@H]1CCCCN1 P38855 [1,0,0,1,0,0|1,0,0]=3 152 B7R1.3 C[C@H]1CCCCN1 Q54716 [1,0,0,1,0,0|1,0,0]=3 153 B7R1.3 C[C@H]1CCCNC1 Q55824 [1,0,0,1,0,0|2,0,0]=4 154 B7R1.3 C[C@H]1CNCCO1 B-1062 [1,0,0,1,0,0|1,0,0]=3 155 B7R1.3 C[C@H]1CNCCO1 B-1062-1 [1,0,0,1,0,0|1,0,0]=3 156 B7R1.3 C[C@H]1COCCN1 B-1059 [1,0,0,1,0,0|2,0,0]=4 157 B7R1.3 C[C@H]1COCCN1 P42980 [1,0,0,1,0,0|2,0,0]=4 158 B7R1.3 O=C1OCCCO1 P43743 [1,0,0,1,0,0|1,0,1]=4 159 B7R1.4 CC1CCNC1C Q61659 [1,0,0,1,0,0|1,0,0]=3 160 B7R1.4 CC1CNCC1C O33388 [1,0,0,1,0,0|2,0,0]=4 161 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [1,0,0,1,0,0|2,0,0]=4 162 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [1,0,0,1,0,0|2,0,0]=4 163 B7R1.4 C[C@@H]1NCC[C@@H]1O Q64145 [1,0,0,1,0,0|2,0,0]=4 164 B7R1.4 C[C@@H]1NCC[C@H]1O Q64143 [1,0,0,1,0,0|2,0,0]=4 165 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [1,0,0,1,0,0|2,0,0]=4 166 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.4 C[C@H]1NCC[C@@H]1O Q64142 [1,0,0,1,0,0|2,0,0]=4 168 B7R1.4 C[C@H]1NCC[C@H]1O Q64144 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.6 BrCCC1CCO1 Q56185 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.6 CCCC1CNC1 P43152 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.6 CCCC1CNC1 P44924 [1,0,0,1,0,0|2,0,0]=4 172 B7R1.6 CCNC1CCC1 P34707 [1,0,0,1,0,0|1,0,0]=3 173 B7R1.6 CCNC1CCC1 P45089 [1,0,0,1,0,0|1,0,0]=3 174 B7R1.6 CCNC1CNC1 M22745 [1,0,0,1,0,0|2,0,0]=4 175 B7R1.6 CCNC1CNC1 P45767 [1,0,0,1,0,0|2,0,0]=4 176 B7R1.6 CCNC1COC1 G-6617 [1,0,0,1,0,0|2,0,0]=4 177 B7R1.6 CCOC1CNC1 O28975 [1,0,0,1,0,0|1,0,0]=3 178 B7R1.6 CCOC1CNC1 P44497 [1,0,0,1,0,0|1,0,0]=3 179 B7R1.6 CCSC1CNC1 P46826 [1,0,0,1,0,0|1,1,0]=4 180 B7R1.6 CCSC1CNC1 P48713 [1,0,0,1,0,0|1,1,0]=4 181 B7R1.6 CNCC1CCC1 P42057 [1,0,0,1,0,0|2,0,0]=4 182 B7R1.6 CNCC1CCC1 P44415 [1,0,0,1,0,0|2,0,0]=4 183 B7R1.6 CNCC1CCO1 Q55851 [1,0,0,1,0,0|2,0,0]=4 184 B7R1.6 ClCOC1CCC1 P49912 [1,0,0,1,0,0|1,0,0]=3 185 B7R1.6 ICCC1CCO1 Q56184 [1,0,0,1,0,0|2,0,0]=4 186 B7R1.6 NCCC1CCC1 L18182 [1,0,0,1,0,0|2,0,0]=4 187 B7R1.6 NCCC1CCC1 P48448 [1,0,0,1,0,0|2,0,0]=4 188 B7R1.6 NCCC1CCO1 O32973 [1,0,0,1,0,0|2,0,0]=4 189 B7R1.6 NCC[C@@H]1CCO1 Q56188 [1,0,0,1,0,0|2,0,0]=4 190 B7R1.6 NCC[C@H]1CCO1 Q56187 [1,0,0,1,0,0|2,0,0]=4 191 B7R1.6 OCCC1CCC1 P34706 [1,0,0,1,0,0|2,0,0]=4 192 B7R1.6 OCCC1CCO1 F-4763 [1,0,0,1,0,0|2,0,0]=4 193 B7R1.6 OCC[C@@H]1CCO1 Q56146 [1,0,0,1,0,0|2,0,0]=4 194 B7R1.6 OCC[C@H]1CCO1 Q56145 [1,0,0,1,0,0|2,0,0]=4 195 B7R1.8 CC1CCC1CO P48346 [1,0,0,1,0,0|2,0,0]=4 196 B7R1.8 CC1OCC1CO Q56093 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.10 CCC1CC(N)C1 P48761 [1,0,0,1,0,0|2,0,0]=4 198 B7R1.10 COC1CC(Br)C1 P47967 [1,0,0,1,0,0|2,0,0]=4 199 B7R1.10 COC1CC(N)C1 C-3383 [1,0,0,1,0,0|2,0,0]=4 200 B7R1.10 COC1CC(N)C1 G-5007 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.10 COC1CC(O)C1 P48191 [1,0,0,1,0,0|2,0,0]=4 202 B7R1.10 CO[C@H]1C[C@@H](N)C1 C-3621 [1,0,0,1,0,0|2,0,0]=4 203 B7R1.10 CO[C@H]1C[C@@H](N)C1 C-3621-1 [1,0,0,1,0,0|2,0,0]=4 204 B7R1.10 CO[C@H]1C[C@@H](O)C1 P46991 [1,0,0,1,0,0|2,0,0]=4 205 B7R1.10 CO[C@H]1C[C@H](Br)C1 P47002 [1,0,0,1,0,0|2,0,0]=4 206 B7R1.10 CO[C@H]1C[C@H](N)C1 C-3622 [1,0,0,1,0,0|2,0,0]=4 207 B7R1.10 CO[C@H]1C[C@H](N)C1 C-3622-1 [1,0,0,1,0,0|2,0,0]=4 208 B7R1.10 CO[C@H]1C[C@H](O)C1 P46971 [1,0,0,1,0,0|2,0,0]=4 209 B7R1.21 CC1(CCO)CC1 L14283 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.22 CCC(N)C1CC1 L14734 [1,0,0,1,0,0|2,0,0]=4 211 B7R1.22 CCC(O)C1CC1 L14172 [1,0,0,1,0,0|2,0,0]=4 212 B7R1.22 CNC(C)C1CC1 P42683 [1,0,0,1,0,0|2,0,0]=4 213 B7R1.25 CC1(CBr)CCC1 P44691 [1,0,0,1,0,0|2,0,0]=4 214 B7R1.25 CC1(CBr)CCO1 Q54729 [1,0,0,1,0,0|1,0,0]=3 215 B7R1.25 CC1(CCl)CCC1 P45668 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.25 CC1(CF)CCN1 P47255 [1,0,0,1,0,0|2,0,0]=4 217 B7R1.25 CC1(CI)CCO1 Q55856 [1,0,0,1,0,0|1,0,0]=3 218 B7R1.25 CC1(CN)CCC1 G-6314 [1,0,0,1,0,0|2,0,0]=4 219 B7R1.25 CC1(CN)CCC1 P44811 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.25 CC1(CN)CCO1 Q55436 [1,0,0,1,0,0|1,0,0]=3 221 B7R1.25 CC1(CO)CCC1 P38399 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.25 CC1(CO)CCN1 P48829 [1,0,0,1,0,0|2,0,0]=4 223 B7R1.25 CC1(CO)CCN1 P50194 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.25 CC1(CO)CCN1 P50195 [1,0,0,1,0,0|2,0,0]=4 225 B7R1.25 CC1(CO)CCO1 Q62788 [1,0,0,1,0,0|1,0,0]=3 226 B7R1.25 CCC1(C)CNC1 P47022 [1,0,0,1,0,0|2,0,0]=4 227 B7R1.25 CCC1(C)CNC1 P47941 [1,0,0,1,0,0|2,0,0]=4 228 B7R1.25 CCC1(N)CCC1 P45271 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.25 CCC1(N)CCC1 P45837 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.25 COC1(C)CNC1 D-2562 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.25 COC1(C)CNC1 P44994 [1,0,0,1,0,0|2,0,0]=4 232 B7R1.24 C1CNCCOC1 O28784 [1,0,0,1,0,0|2,0,0]=4 233 B9R1.2 CC1CC(C#N)CCO1 Q57694 [0,1,0,1,0,0|1,0,1]=4 234 B9R1.2 CC1CC(CN)CCN1 Q65210 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.2 CC1CC(CN)CCO1 Q57803 [0,1,0,1,0,0|1,0,0]=3 236 B9R1.2 CC1CC(CN)CCO1 Q57804 [0,1,0,1,0,0|1,0,0]=3 237 B9R1.2 CC1CC(CO)CCO1 Q57696 [0,1,0,1,0,0|1,0,0]=3 238 B9R1.2 CC1CC(NN)CCO1 Q57690 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.2 CC1CCCC(CBr)C1 Q59544 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.2 CC1CCCC(CO)C1 Q59549 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.2 CC1CCCC(CO)N1 F-4721 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.2 CCC1CC(N)CCO1 Q57607 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.2 CCC1CC(O)CCO1 Q57706 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.2 CCN1CCN[C@@H](C)C1 O34270 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.2 CCN1CCN[C@H](C)C1 P51488 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.2 CN1CCOC(CN)C1 B-1160 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.2 CN1CCOC(CO)C1 B-1180 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.2 CN1CCO[C@@H](CN)C1 B-1159 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.2 CN1CCO[C@@H](CO)C1 B-1178 [0,1,0,1,0,0|2,0,0]=4 250 B9R1.2 CN1CCO[C@H](CN)C1 B-1158 [0,1,0,1,0,0|2,0,0]=4 251 B9R1.2 CN1CCO[C@H](CO)C1 B-1179 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.2 CO[C@@H]1CCN[C@H](C)C1 K10846 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.2 CO[C@H]1CCN[C@@H](C)C1 K10845 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.2 CO[C@H]1CCN[C@H](C)C1 Q61363 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.2 C[C@H]1CCOC(C=O)C1 Q57858 [0,1,0,1,0,0|1,0,1]=4 256 B9R1.2 C[C@H]1C[C@@H](CO)CCN1 Q61114 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.2 NC1CCOC(CO)C1 Q54643 [0,1,0,1,0,0|2,0,0]=4 258 B9R1.2 N[C@@H]1CCO[C@H](CO)C1 Q54644 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.2 N[C@H]1CCO[C@@H](CO)C1 Q54645 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.2 N[C@H]1CCO[C@H](CO)C1 Q54646 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.7 CCNC1CCN(C)C1 G-7105 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.8 CCCC1CCCNC1 Q59858 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.8 CCCC1CCNCC1 M22635 [0,1,0,1,0,0|2,0,0]=4 264 B9R1.8 CCC[C@@H]1CCCCN1 Q54719 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.8 CCNC1CCOCC1 M15174 [0,1,0,1,0,0|2,0,0]=4 266 B9R1.8 CCOC1CCCNC1 P42499 [0,1,0,1,0,0|1,0,0]=3 267 B9R1.8 CCOC1CCNCC1 P42609 [0,1,0,1,0,0|1,0,0]=3 268 B9R1.8 CNCC1CCCOC1 L14590 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.8 CNCC1COCCO1 Q70163 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.8 CNC[C@@H]1COCCO1 P44854 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.8 CNC[C@H]1COCCO1 P46411 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.8 COCC1CNCCO1 B-1096 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.8 COC[C@@H]1CNCCO1 B-1097 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.8 COC[C@H]1CNCCO1 B-1098 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.8 NCCC1CCCCO1 P38225 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.8 NCCC1CCCOC1 S72503 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.8 OCCC1CCCCO1 P38380 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.8 OCCC1CNCCO1 O28277 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.8 OCC[C@@H]1CCCCO1 Q53045 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.12 BrCCCC1CCCC1 P38703 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.12 CCCOC1CCNC1 P34911 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.12 CCCO[C@@H]1CCNC1 P35814 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.12 CCCO[C@H]1CCNC1 P35519 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.12 CNCCC1CCCC1 P35273 [0,1,0,1,0,0|2,0,0]=4 285 B9R1.12 CNCCC1CCCC1 P35770 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.12 COCCC1CCCN1 G-7743 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.12 ICCCC1CCCC1 P42787 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.12 NCCCC1CCCC1 O33622 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.12 NCCCC1CCCC1 P37126 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.12 OCCCC1CCCC1 P36172 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.12 OCCC[C@@H]1CCCN1 Q57415 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.15 CCN1CCNC[C@H]1C O34272 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.15 CCN1CCNC[C@H]1C P51493 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.15 C[C@@H]1OCCN[C@H]1CO B-1259 [0,1,0,1,0,0|2,0,0]=4 295 B9R1.15 C[C@H]1OCCN[C@@H]1CO B-1258 [0,1,0,1,0,0|2,0,0]=4 296 B9R1.58 CCOC1CC(C=O)C1 P47364 [0,1,0,1,0,0|1,0,1]=4 297 B9R1.58 CCOC1CC(NN)C1 P47366 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.58 CCO[C@H]1C[C@@H](NN)C1 P46963 [0,1,0,1,0,0|2,0,0]=4 299 B9R1.58 CCO[C@H]1C[C@H](NN)C1 P46938 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.69 CC1CCC(=O)C(C)C1 Q59598 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.117 CC1(OCCN)CCC1 P48266 [0,1,0,1,0,0|1,0,0]=3 302 B9R1.117 CC1(OCCN)CCC1 P48287 [0,1,0,1,0,0|1,0,0]=3 303 B9R1.134 CCCC1(C)CCNC1 Q61655 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.134 CCC[C@]1(C)CCNC1 Q61656 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.3 CC1CCCC(C)C1N P44629 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.13 CC(C)OC1CCNC1 P42194 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.13 CC(C)OC1CCNC1 Q61982 [0,1,0,1,0,0|2,0,0]=4 308 B9R1.13 CC(C)O[C@@H]1CCNC1 P42399 [0,1,0,1,0,0|2,0,0]=4 309 B9R1.13 CC(C)O[C@@H]1CCNC1 Q61983 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.13 CC(C)O[C@H]1CCNC1 P43058 [0,1,0,1,0,0|2,0,0]=4 311 B9R1.13 CC(O)CC1CCCN1 Q59227 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.34 CC1CC(=O)CC(C)O1 F-4696 [0,1,0,1,0,0|1,0,1]=4 313 B9R1.34 CC1CC(Br)CC(C)O1 Q57698 [0,1,0,1,0,0|1,0,0]=3 314 B9R1.34 CC1CC(N)CC(C)O1 Q54459 [0,1,0,1,0,0|1,0,0]=3 315 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Q55059 [0,1,0,1,0,0|1,0,1]=4 316 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)O1 Q55809 [0,1,0,1,0,0|1,0,1]=4 317 B9R1.34 C[C@@H]1C[C@H](O)C[C@H](C)C1 P45201 [0,1,0,1,0,0|2,0,0]=4 318 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 L14381 [0,1,0,1,0,0|1,0,1]=4 319 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 Q55060 [0,1,0,1,0,0|1,0,1]=4 320 B9R1.34 C[C@H]1CC(Br)C[C@@H](C)O1 Q57870 [0,1,0,1,0,0|1,0,0]=3 321 B9R1.34 C[C@H]1CC(N)C[C@@H](C)O1 Q61447 [0,1,0,1,0,0|1,0,0]=3 322 B9R1.34 C[C@H]1CC(O)C[C@H](C)N1 Q61338 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.34 C[C@H]1C[C@@H](O)C[C@@H](C)N1 Q61337 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.53 CC(C)OC1CC(N)C1 P48013 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.53 CC(C)O[C@H]1C[C@@H](N)C1 P46696 [0,1,0,1,0,0|2,0,0]=4 326 B9R1.53 CC(C)O[C@H]1C[C@@H](N)C1 P47512 [0,1,0,1,0,0|2,0,0]=4 327 B9R1.53 CC(C)O[C@H]1C[C@H](N)C1 P47588 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.53 CC(C)O[C@H]1C[C@H](N)C1 P50503 [0,1,0,1,0,0|2,0,0]=4 329 B9R1.66 CC1(C)CC(Br)CCO1 Q57806 [0,1,0,1,0,0|2,0,0]=4 330 B9R1.66 CC1(C)CC(N)CCO1 Q55597 [0,1,0,1,0,0|2,0,0]=4 331 B9R1.66 CC1CC(C)(O)CCN1 Q65228 [0,1,0,1,0,0|2,0,0]=4 332 B9R1.171 CC(C)OC1(C)CNC1 P42278 [0,1,0,1,0,0|2,0,0]=4 333 B9R1.14 CCN1CCCC1CN I-9237 [0,1,0,1,0,0|2,0,0]=4 334 B9R1.175 CCCC1(CN)CCC1 P44712 [0,1,0,1,0,0|2,0,0]=4 335 B9R1.175 CCCC1(CN)CCC1 P48443 [0,1,0,1,0,0|2,0,0]=4 336 B9R1.175 CCOC1(CN)CCC1 L20821 [0,1,0,1,0,0|1,0,0]=3 337 B9R2.39 NC1CC2CCC1O2 P48828 [0,0,0,2,0,0|2,0,0]=4 338 B9R2.39 N[C@H]1CC2CCC1O2 P48640 [0,0,0,2,0,0|2,0,0]=4 339 B9R2.68 C1CC2CCC(C1)N2 G-5152 [0,0,0,2,0,0|2,0,0]=4 340 B9R2.68 C1CC2CCC(C1)N2 P44257 [0,0,0,2,0,0|2,0,0]=4 341 B9R2.68 C1CC2CNCC1O2 A-860 [0,0,0,2,0,0|2,0,0]=4 342 B9R2.68 C1CC2CNCC1O2 P44476 [0,0,0,2,0,0|2,0,0]=4 343 B9R2.68 C1C[C@@H]2CNC[C@H]1O2 P50041 [0,0,0,2,0,0|2,0,0]=4 344 B9R2.68 C1NCC2CC1CO2 P45835 [0,0,0,2,0,0|2,0,0]=4 345 B9R2.68 C1NCC2CC1CO2 P48066 [0,0,0,2,0,0|2,0,0]=4 346 B9R2.84 CCNC12CC(C1)C2 P43576 [0,0,0,2,0,0|2,0,0]=4 347 B9R2.84 CCNC12CC(C1)C2 P43697 [0,0,0,2,0,0|2,0,0]=4 348 B9R2.3 C1CC2CCNC2C1 Q57326 [0,0,0,2,0,0|2,0,0]=4 349 B9R2.3 C1CC2CNCC2O1 Q56578 [0,0,0,2,0,0|2,0,0]=4 350 B9R2.65 NCC1C2CCOC12 Q64153 [0,0,0,2,0,0|2,0,0]=4 351 B9R2.65 OCC1C2CCOC12 Q62805 [0,0,0,2,0,0|2,0,0]=4 352 B9R2.173 C1CC2(CCO2)CN1 C-2959 [0,0,0,2,0,0|2,0,0]=4 353 B9R2.173 C1CC2(CCO2)CN1 C-2959-1 [0,0,0,2,0,0|2,0,0]=4 354 B9R2.173 C1CC2(CCO2)CN1 Q62228 [0,0,0,2,0,0|2,0,0]=4 355 B9R2.173 C1CCC2(C1)CCN2 L14449 [0,0,0,2,0,0|2,0,0]=4 356 B9R2.173 C1CNC2(C1)CCC2 G-5104 [0,0,0,2,0,0|2,0,0]=4 357 B9R2.173 C1CNC2(C1)CCC2 Q62225 [0,0,0,2,0,0|2,0,0]=4 358 B9R2.173 C1CNC2(C1)CCC2 Q62226 [0,0,0,2,0,0|2,0,0]=4 359 B9R2.173 C1COC2(C1)CNC2 G-6243 [0,0,0,2,0,0|2,0,0]=4 360 B9R2.173 C1COC2(C1)CNC2 M15779 [0,0,0,2,0,0|2,0,0]=4 361 B9R2.173 C1COC2(C1)CNC2 Q56364 [0,0,0,2,0,0|2,0,0]=4 362 B9R2.173 C1C[C@@]2(CCO2)CN1 Q63336 [0,0,0,2,0,0|2,0,0]=4 363 B9R2.173 C1C[C@]2(CCO2)CN1 Q63335 [0,0,0,2,0,0|2,0,0]=4 364 B9R2.52 C1CCC2CC2NC1 Q58075 [0,0,0,2,0,0|2,0,0]=4