0 B6R0.1 C#CC(O)CCC P42817 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 CCC(=O)CC#N P38761 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 CCC(S)CCO O29430 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.1 CCC[C@@H](N)CO P35977 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 CCC[C@H](N)CO P39535 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 CCN(C)CCO Q66070 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.1 CNC(=O)CCCl P38167 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 CNC(=O)CCN P37692 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 CC(N)CCO P39048 [1,0,0,0,0,0|1,0,0]=2 9 B5R0.1 CC(O)CCN M22972 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.1 CC(O)CON M15150 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.1 CCC[C@H](C)N I-9318 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.1 CNCC(C)O P40721 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 CNC[C@@H](C)O P41738 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 CNC[C@H](C)O P36531 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 COCC(C)Br O32164 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.1 C[C@@H](N)CCO F-4752 [1,0,0,0,0,0|1,0,0]=2 17 B5R0.1 C[C@H](N)CC#N Q66038 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 C[C@H](N)CCO F-4570 [1,0,0,0,0,0|1,0,0]=2 19 B5R0.1 OCCC(F)F P45589 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.2 C#CCCCI P39399 [1,0,0,0,0,0|1,0,2]=4 21 B5R0.2 C#CCCCO P37563 [1,0,0,0,0,0|0,0,2]=3 22 B5R0.2 C#CCCNC L20446 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.2 C#CCNCC P37598 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.2 C#CCOCC O29883 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.2 CCNCCCl L21040 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.2 CNCCSC M23087 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.2 CSCCCN P39434 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.2 NCC#CCO L20035 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.2 NCCCCS L19142 [1,0,0,0,0,0|1,1,0]=3 30 B5R0.2 [N-]=[N+]=NCCO P41031 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.3 C#CC(O)CC P38163 [1,0,0,0,0,0|1,0,2]=4 32 B5R0.3 CC(CBr)CBr O34172 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.3 CC(CN)CO O30604 [1,0,0,0,0,0|1,0,0]=2 34 B5R0.3 CCC(C)NN O30637 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.3 CNC(=O)CO P37539 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.3 CNC(C)CO M23268 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.3 CN[C@@H](C)CO P38191 [1,0,0,0,0,0|1,0,0]=2 38 B5R0.3 CN[C@H](C)CO P41018 [1,0,0,0,0,0|1,0,0]=2 39 B5R0.3 COC(C)CN P36510 [1,0,0,0,0,0|2,0,0]=3 40 B5R0.3 NCC(O)CF M23924 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.3 NC[C@@H](F)CO L22313 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.3 NC[C@@H](O)CCl Q69638 [1,0,0,0,0,0|3,0,0]=4 43 B5R0.3 NC[C@H](F)CO O33576 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.2 CCC(=O)CC(=O)O P43007 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [0,1,0,0,0,0|1,0,1]=3 46 B7R0.2 CC[C@H](N)CC(=O)O M23203 [0,1,0,0,0,0|1,0,1]=3 47 B7R0.2 CC[C@H](N)CN(C)C Q66181 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.2 NCC(O)CC(=O)O P35068 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.2 N[C@@H](CO)CC(=O)O Q68983 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.2 N[C@@H](CO)CC(=O)O Q68986 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.2 N[C@H](CO)CC(=O)O Q68987 [0,1,0,0,0,0|2,0,1]=4 52 B7R0.2 N[C@H](CO)CC(=O)O Q68989 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.3 CCCC[C@@H](N)CO P35979 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.3 CCCC[C@H](N)CO P35978 [0,1,0,0,0,0|3,0,0]=4 55 B7R0.3 CCOCC(O)CN L19068 [0,1,0,0,0,0|3,0,0]=4 56 B7R0.3 CSCCC(N)CO P37819 [0,1,0,0,0,0|2,1,0]=4 57 B7R0.5 CC(=O)N(C)CCN P35211 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.5 CC(C)[C@H](N)CCO Q69023 [0,1,0,0,0,0|1,0,0]=2 59 B7R0.5 CCCC(C)C(C)N L19280 [0,1,0,0,0,0|1,0,0]=2 60 B7R0.7 CCCN(C)CCO Q66069 [0,1,0,0,0,0|1,0,0]=2 61 B7R0.7 CCNC(=O)CCN P36830 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.7 CCOC(=O)CCI P36879 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.7 CCOC(=O)NCO Q69358 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.7 COCC(C)N=C=O L20863 [0,1,0,0,0,0|1,0,2]=4 65 B7R0.10 CCN(C)C(=O)CN P36486 [0,1,0,0,0,0|2,0,1]=4 66 B7R0.11 CNCC(C)(C)CO P40852 [0,1,0,0,0,0|3,0,0]=4 67 B7R0.11 COCC(C)(C)CN P36170 [0,1,0,0,0,0|3,0,0]=4 68 B7R0.11 COCC(C)(C)CO O31179 [0,1,0,0,0,0|3,0,0]=4 69 B7R0.12 C#CCC(OC)OC L20433 [0,1,0,0,0,0|2,0,1]=4 70 B7R1.1 BrCC1CCOC1 C-3388 [0,0,0,1,0,0|1,0,0]=2 71 B7R1.1 C#CC1CCNC1 Q55467 [0,0,0,1,0,0|1,0,2]=4 72 B7R1.1 C#CC1CCNC1 Q55468 [0,0,0,1,0,0|1,0,2]=4 73 B7R1.1 C#CC1CCOC1 G-7177 [0,0,0,1,0,0|0,0,2]=3 74 B7R1.1 CC[C@@H]1CCNC1 L14526 [0,0,0,1,0,0|1,0,0]=2 75 B7R1.1 CC[C@H]1CCNC1 L14527 [0,0,0,1,0,0|1,0,0]=2 76 B7R1.1 CNC1CCCC1 P36274 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.1 CNC1CCNC1 P41664 [0,0,0,1,0,0|2,0,0]=3 78 B7R1.1 CNC1CCOC1 I-9659 [0,0,0,1,0,0|1,0,0]=2 79 B7R1.1 CN[C@@H]1CCNC1 P41422 [0,0,0,1,0,0|2,0,0]=3 80 B7R1.1 CN[C@@H]1CCOC1 L13930 [0,0,0,1,0,0|1,0,0]=2 81 B7R1.1 CN[C@H]1CCNC1 P41423 [0,0,0,1,0,0|2,0,0]=3 82 B7R1.1 CN[C@H]1CCOC1 L13929 [0,0,0,1,0,0|1,0,0]=2 83 B7R1.1 COC1CCNC1 C-2248 [0,0,0,1,0,0|2,0,0]=3 84 B7R1.1 CO[C@@H]1CCNC1 C-2249 [0,0,0,1,0,0|2,0,0]=3 85 B7R1.1 CO[C@H]1CCNC1 C-2250 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.1 CSC1CCNC1 L20011 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.1 CS[C@@H]1CCNC1 Q52106 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.1 CS[C@H]1CCNC1 Q52105 [0,0,0,1,0,0|2,0,0]=3 89 B7R1.1 FCC1CCCN1 Q52409 [0,0,0,1,0,0|3,0,0]=4 90 B7R1.1 FCC1CCNC1 L20341 [0,0,0,1,0,0|2,0,0]=3 91 B7R1.1 FC[C@@H]1CCCN1 G-5688 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.1 FC[C@@H]1CCCN1 Q61799 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.1 FC[C@@H]1CCNC1 P48130 [0,0,0,1,0,0|2,0,0]=3 94 B7R1.1 FC[C@@H]1CCNC1 Q61807 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.1 FC[C@H]1CCCN1 I-9901 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.1 FC[C@H]1CCCN1 Q51944 [0,0,0,1,0,0|3,0,0]=4 97 B7R1.1 FC[C@H]1CCNC1 P50376 [0,0,0,1,0,0|2,0,0]=3 98 B7R1.1 FC[C@H]1CCNC1 Q61806 [0,0,0,1,0,0|2,0,0]=3 99 B7R1.1 ICC1CCCC1 P39098 [0,0,0,1,0,0|2,0,0]=3 100 B7R1.1 ICC1CCOC1 I-9304 [0,0,0,1,0,0|1,0,0]=2 101 B7R1.1 N#CC1CCNC1 L13633 [0,0,0,1,0,0|2,0,1]=4 102 B7R1.1 N#CC1CCNC1 M23796 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.1 N#CC1CCOC1 I-9148 [0,0,0,1,0,0|1,0,1]=3 104 B7R1.1 N#C[C@@H]1CCNC1 C-2960 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.1 N#C[C@@H]1CCOC1 G-6696 [0,0,0,1,0,0|1,0,1]=3 106 B7R1.1 N#C[C@H]1CCNC1 C-2961 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.1 N#C[C@H]1CCOC1 I-9839 [0,0,0,1,0,0|1,0,1]=3 108 B7R1.1 NCC1CCCC1 F-4714 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.1 NCC1CCCC1 L14012 [0,0,0,1,0,0|2,0,0]=3 110 B7R1.1 NCC1CCCN1 P37060 [0,0,0,1,0,0|3,0,0]=4 111 B7R1.1 NCC1CCOC1 C-3659 [0,0,0,1,0,0|1,0,0]=2 112 B7R1.1 NCC1CCOC1 G-6767 [0,0,0,1,0,0|1,0,0]=2 113 B7R1.1 NC[C@@H]1CCCN1 G-5891 [0,0,0,1,0,0|3,0,0]=4 114 B7R1.1 NC[C@@H]1CCOC1 C-2790 [0,0,0,1,0,0|1,0,0]=2 115 B7R1.1 NC[C@@H]1CCOC1 G-5015 [0,0,0,1,0,0|1,0,0]=2 116 B7R1.1 NC[C@H]1CCCN1 P42386 [0,0,0,1,0,0|3,0,0]=4 117 B7R1.1 NC[C@H]1CCNC1 Q55433 [0,0,0,1,0,0|2,0,0]=3 118 B7R1.1 NC[C@H]1CCOC1 C-2789 [0,0,0,1,0,0|1,0,0]=2 119 B7R1.1 NC[C@H]1CCOC1 G-5014 [0,0,0,1,0,0|1,0,0]=2 120 B7R1.1 NNC1CCCC1 O31761 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.1 NNC1CCNC1 O29712 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.1 OCC1CC=CC1 G-6600 [0,0,0,1,0,0|2,0,1]=4 123 B7R1.1 OCC1CCNC1 C-2924 [0,0,0,1,0,0|2,0,0]=3 124 B7R1.1 OCC1CCNC1 L13610 [0,0,0,1,0,0|2,0,0]=3 125 B7R1.1 OCC1CCOC1 C-3387 [0,0,0,1,0,0|1,0,0]=2 126 B7R1.1 OC[C@@H]1CCCO1 O32723 [0,0,0,1,0,0|3,0,0]=4 127 B7R1.1 OC[C@@H]1CCNC1 G-6083 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.1 OC[C@@H]1CCNC1 L13662 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.1 OC[C@@H]1CCOC1 C-2787 [0,0,0,1,0,0|1,0,0]=2 130 B7R1.1 OC[C@H]1CCNC1 G-6082 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.1 OC[C@H]1CCNC1 L14041 [0,0,0,1,0,0|2,0,0]=3 132 B7R1.1 OC[C@H]1CCOC1 C-2788 [0,0,0,1,0,0|1,0,0]=2 133 B7R1.2 CC1CC(O)CN1 Q59204 [0,0,0,1,0,0|1,0,0]=2 134 B7R1.2 CC1CC(O)CN1 Q59205 [0,0,0,1,0,0|1,0,0]=2 135 B7R1.2 CC1CCC(N)C1 Q56970 [0,0,0,1,0,0|1,0,0]=2 136 B7R1.2 CC1CNC(=O)C1 L13710 [0,0,0,1,0,0|1,0,2]=4 137 B7R1.2 CN1CCC(Br)C1 Q53645 [0,0,0,1,0,0|2,0,0]=3 138 B7R1.2 CN1CCC(N)C1 C-2205 [0,0,0,1,0,0|2,0,0]=3 139 B7R1.2 CN1CCC(N)C1 O28463 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.2 CN1CCC(O)C1 C-3294 [0,0,0,1,0,0|1,0,0]=2 141 B7R1.2 CN1CC[C@@H](N)C1 C-2206 [0,0,0,1,0,0|2,0,0]=3 142 B7R1.2 CN1CC[C@@H](N)C1 Q66155 [0,0,0,1,0,0|2,0,0]=3 143 B7R1.2 CN1CC[C@@H](O)C1 C-3296 [0,0,0,1,0,0|1,0,0]=2 144 B7R1.2 CN1CC[C@H](N)C1 C-2207 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.2 CN1CC[C@H](N)C1 P35579 [0,0,0,1,0,0|2,0,0]=3 146 B7R1.2 CN1CC[C@H](N)C1 Q51811 [0,0,0,1,0,0|2,0,0]=3 147 B7R1.2 CN1CC[C@H](O)C1 C-3295 [0,0,0,1,0,0|1,0,0]=2 148 B7R1.2 C[C@@H]1CC[C@@H](C)N1 O32970 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61707 [0,0,0,1,0,0|2,0,0]=3 150 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61742 [0,0,0,1,0,0|2,0,0]=3 151 B7R1.2 C[C@@H]1CNC(=O)C1 L22301 [0,0,0,1,0,0|1,0,2]=4 152 B7R1.2 C[C@@H]1CN[C@@H](C)C1 Q61627 [0,0,0,1,0,0|2,0,0]=3 153 B7R1.2 C[C@@H]1C[C@@H](O)CN1 Q56025 [0,0,0,1,0,0|1,0,0]=2 154 B7R1.2 C[C@@H]1C[C@H](F)CN1 Q54433 [0,0,0,1,0,0|2,0,0]=3 155 B7R1.2 C[C@@H]1C[C@H](O)CN1 L14502 [0,0,0,1,0,0|1,0,0]=2 156 B7R1.2 C[C@H]1CC[C@@H](C)N1 O32965 [0,0,0,1,0,0|2,0,0]=3 157 B7R1.2 C[C@H]1CC[C@@H](C)N1 Q61708 [0,0,0,1,0,0|2,0,0]=3 158 B7R1.2 C[C@H]1CNC(=O)C1 L18264 [0,0,0,1,0,0|1,0,2]=4 159 B7R1.2 C[C@H]1C[C@@H](O)CN1 Q56026 [0,0,0,1,0,0|1,0,0]=2 160 B7R1.2 C[C@H]1C[C@H](O)CN1 L13861 [0,0,0,1,0,0|1,0,0]=2 161 B7R1.2 NC1CCC(F)C1 Q54470 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.2 NC1CCC(F)C1 Q54471 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.2 NC1CCC(O)C1 G-5810 [0,0,0,1,0,0|1,0,0]=2 164 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q56999 [0,0,0,1,0,0|2,0,0]=3 165 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q57000 [0,0,0,1,0,0|2,0,0]=3 166 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q57004 [0,0,0,1,0,0|2,0,0]=3 167 B7R1.2 N[C@@H]1CC[C@@H](O)C1 G-6580 [0,0,0,1,0,0|1,0,0]=2 168 B7R1.2 N[C@@H]1CC[C@@H](O)C1 L13346 [0,0,0,1,0,0|1,0,0]=2 169 B7R1.2 N[C@@H]1CC[C@@H](O)C1 Q57092 [0,0,0,1,0,0|1,0,0]=2 170 B7R1.2 N[C@@H]1CC[C@H](F)C1 Q57002 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.2 N[C@@H]1CC[C@H](O)C1 L13208 [0,0,0,1,0,0|1,0,0]=2 172 B7R1.2 N[C@@H]1CC[C@H](O)C1 Q57094 [0,0,0,1,0,0|1,0,0]=2 173 B7R1.2 N[C@H]1CC[C@@H](F)C1 O33077 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.2 N[C@H]1CC[C@@H](F)C1 Q56998 [0,0,0,1,0,0|2,0,0]=3 175 B7R1.2 N[C@H]1CC[C@@H](F)C1 Q57001 [0,0,0,1,0,0|2,0,0]=3 176 B7R1.2 N[C@H]1CC[C@@H](O)C1 G-6579 [0,0,0,1,0,0|1,0,0]=2 177 B7R1.2 N[C@H]1CC[C@@H](O)C1 K10902 [0,0,0,1,0,0|1,0,0]=2 178 B7R1.2 N[C@H]1CC[C@@H](O)C1 L21276 [0,0,0,1,0,0|1,0,0]=2 179 B7R1.2 N[C@H]1CC[C@H](F)C1 Q57003 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.2 N[C@H]1CC[C@H](O)C1 I-9981 [0,0,0,1,0,0|1,0,0]=2 181 B7R1.2 N[C@H]1CC[C@H](O)C1 Q57093 [0,0,0,1,0,0|1,0,0]=2 182 B7R1.2 O=C1CC(O)CN1 P39299 [0,0,0,1,0,0|2,0,1]=4 183 B7R1.2 O=C1CCC(Br)C1 Q56972 [0,0,0,1,0,0|1,0,2]=4 184 B7R1.2 O=C1CCC(F)C1 Q55724 [0,0,0,1,0,0|1,0,2]=4 185 B7R1.2 O=C1CCC(O)C1 H-8145 [0,0,0,1,0,0|1,0,1]=3 186 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [0,0,0,1,0,0|2,0,1]=4 187 B7R1.2 OC1CCC(F)C1 Q55723 [0,0,0,1,0,0|1,0,0]=2 188 B7R1.2 OC1CCC(O)C1 L14091 [0,0,0,1,0,0|1,0,0]=2 189 B7R1.2 O[C@@H]1C=C[C@@H](F)C1 Q63540 [0,0,0,1,0,0|1,0,2]=4 190 B7R1.2 O[C@@H]1C=C[C@H](F)C1 Q63539 [0,0,0,1,0,0|1,0,2]=4 191 B7R1.2 O[C@@H]1C=C[C@H](O)C1 Q54369 [0,0,0,1,0,0|1,0,2]=4 192 B7R1.2 O[C@@H]1CC[C@@H](O)C1 O33251 [0,0,0,1,0,0|1,0,0]=2 193 B7R1.2 O[C@H]1C=C[C@@H](F)C1 Q63538 [0,0,0,1,0,0|1,0,2]=4 194 B7R1.2 O[C@H]1C=C[C@H](F)C1 Q63541 [0,0,0,1,0,0|1,0,2]=4 195 B7R1.2 O[C@H]1CC[C@@H](O)C1 L14976 [0,0,0,1,0,0|1,0,0]=2 196 B7R1.2 O[C@H]1CC[C@H](O)C1 Q57036 [0,0,0,1,0,0|1,0,0]=2 197 B7R1.3 BrC1CCCNC1 H-8368 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.3 BrC1CCCOC1 O33555 [0,0,0,1,0,0|3,0,0]=4 199 B7R1.3 BrC1CCOCC1 C-3420 [0,0,0,1,0,0|1,0,0]=2 200 B7R1.3 C=C1CCNCC1 H-8338 [0,0,0,1,0,0|1,0,2]=4 201 B7R1.3 C=C1CCNCC1 Q55164 [0,0,0,1,0,0|1,0,2]=4 202 B7R1.3 C=C1CCOCC1 L13714 [0,0,0,1,0,0|0,0,2]=3 203 B7R1.3 CC1=CCNCC1 I-9119 [0,0,0,1,0,0|1,0,2]=4 204 B7R1.3 CC1CNCCO1 B-1061 [0,0,0,1,0,0|3,0,0]=4 205 B7R1.3 CC1CNCCO1 B-1061-1 [0,0,0,1,0,0|3,0,0]=4 206 B7R1.3 CC1COCCN1 B-1060 [0,0,0,1,0,0|3,0,0]=4 207 B7R1.3 CC1COCCN1 O28936 [0,0,0,1,0,0|3,0,0]=4 208 B7R1.3 C[C@@H]1CCCCN1 P40572 [0,0,0,1,0,0|2,0,0]=3 209 B7R1.3 C[C@@H]1CCCNC1 Q55825 [0,0,0,1,0,0|2,0,0]=3 210 B7R1.3 C[C@@H]1CNCCO1 B-1063 [0,0,0,1,0,0|3,0,0]=4 211 B7R1.3 C[C@@H]1CNCCO1 B-1063-1 [0,0,0,1,0,0|3,0,0]=4 212 B7R1.3 C[C@@H]1COCCN1 B-1058 [0,0,0,1,0,0|3,0,0]=4 213 B7R1.3 C[C@@H]1COCCN1 P34848 [0,0,0,1,0,0|3,0,0]=4 214 B7R1.3 C[C@H]1CCCCN1 P38855 [0,0,0,1,0,0|2,0,0]=3 215 B7R1.3 C[C@H]1CCCCN1 Q54716 [0,0,0,1,0,0|2,0,0]=3 216 B7R1.3 C[C@H]1CCCNC1 Q55824 [0,0,0,1,0,0|2,0,0]=3 217 B7R1.3 C[C@H]1CNCCO1 B-1062 [0,0,0,1,0,0|3,0,0]=4 218 B7R1.3 C[C@H]1CNCCO1 B-1062-1 [0,0,0,1,0,0|3,0,0]=4 219 B7R1.3 C[C@H]1COCCN1 B-1059 [0,0,0,1,0,0|3,0,0]=4 220 B7R1.3 C[C@H]1COCCN1 P42980 [0,0,0,1,0,0|3,0,0]=4 221 B7R1.3 ClC1CCCOC1 Q57646 [0,0,0,1,0,0|3,0,0]=4 222 B7R1.3 FC1CCCNC1 C-2254 [0,0,0,1,0,0|3,0,0]=4 223 B7R1.3 F[C@@H]1CCCNC1 G-5231 [0,0,0,1,0,0|3,0,0]=4 224 B7R1.3 F[C@H]1CCCNC1 C-2765 [0,0,0,1,0,0|3,0,0]=4 225 B7R1.3 IC1CCOCC1 C-3266 [0,0,0,1,0,0|1,0,0]=2 226 B7R1.3 NC1CCCOC1 I-9177 [0,0,0,1,0,0|3,0,0]=4 227 B7R1.3 NC1CCCOC1 Q56350 [0,0,0,1,0,0|3,0,0]=4 228 B7R1.3 NC1CCOCC1 B-1768 [0,0,0,1,0,0|1,0,0]=2 229 B7R1.3 NC1CCOCC1 G-5110 [0,0,0,1,0,0|1,0,0]=2 230 B7R1.3 NC1CCSCC1 O33298 [0,0,0,1,0,0|1,1,0]=3 231 B7R1.3 N[C@@H]1CCCNC1 I-9160 [0,0,0,1,0,0|3,0,0]=4 232 B7R1.3 N[C@@H]1CCCOC1 I-9746 [0,0,0,1,0,0|3,0,0]=4 233 B7R1.3 O=C1CCOCC1 B-1770 [0,0,0,1,0,0|1,0,1]=3 234 B7R1.3 O=C1CCSCC1 C-2949 [0,0,0,1,0,0|1,1,1]=4 235 B7R1.3 OC1CCCOC1 G-6220 [0,0,0,1,0,0|3,0,0]=4 236 B7R1.3 OC1CCNCC1 Q52555 [0,0,0,1,0,0|2,0,0]=3 237 B7R1.3 OC1CCOCC1 B-1769 [0,0,0,1,0,0|1,0,0]=2 238 B7R1.3 OC1CCSCC1 Q69934 [0,0,0,1,0,0|1,1,0]=3 239 B7R1.3 O[C@@H]1CCCNC1 K12060 [0,0,0,1,0,0|3,0,0]=4 240 B7R1.3 O[C@@H]1CCCOC1 P44487 [0,0,0,1,0,0|3,0,0]=4 241 B7R1.3 O[C@H]1CCCNC1 K12075 [0,0,0,1,0,0|3,0,0]=4 242 B7R1.3 O[C@H]1CCCNC1 L13549 [0,0,0,1,0,0|3,0,0]=4 243 B7R1.3 O[C@H]1CCCOC1 P51230 [0,0,0,1,0,0|3,0,0]=4 244 B7R1.3 SC1CCCNC1 L21541 [0,0,0,1,0,0|3,0,0]=4 245 B7R1.3 SC1CCCOC1 Q57701 [0,0,0,1,0,0|3,0,0]=4 246 B7R1.3 SC1CCNCC1 I-9049 [0,0,0,1,0,0|2,0,0]=3 247 B7R1.4 CC1CCNC1=O O30375 [0,0,0,1,0,0|2,0,1]=4 248 B7R1.4 CC1CCNC1C Q61659 [0,0,0,1,0,0|1,0,0]=2 249 B7R1.4 CC1CNCC1C O33388 [0,0,0,1,0,0|2,0,0]=3 250 B7R1.4 CC1CNCC1F Q54416 [0,0,0,1,0,0|3,0,0]=4 251 B7R1.4 CC1CNCC1O Q59312 [0,0,0,1,0,0|3,0,0]=4 252 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [0,0,0,1,0,0|2,0,0]=3 253 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [0,0,0,1,0,0|2,0,0]=3 254 B7R1.4 C[C@@H]1CCNC1=O Q61716 [0,0,0,1,0,0|2,0,1]=4 255 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56053 [0,0,0,1,0,0|3,0,0]=4 256 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56054 [0,0,0,1,0,0|3,0,0]=4 257 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61701 [0,0,0,1,0,0|3,0,0]=4 258 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61702 [0,0,0,1,0,0|3,0,0]=4 259 B7R1.4 C[C@@H]1CNC[C@@H]1O L22286 [0,0,0,1,0,0|3,0,0]=4 260 B7R1.4 C[C@@H]1CNC[C@@H]1O Q55495 [0,0,0,1,0,0|3,0,0]=4 261 B7R1.4 C[C@@H]1CNC[C@H]1O L22285 [0,0,0,1,0,0|3,0,0]=4 262 B7R1.4 C[C@@H]1CNC[C@H]1O Q55494 [0,0,0,1,0,0|3,0,0]=4 263 B7R1.4 C[C@@H]1COC[C@H]1N F-4262 [0,0,0,1,0,0|3,0,0]=4 264 B7R1.4 C[C@@H]1NCC[C@@H]1O Q64145 [0,0,0,1,0,0|2,0,0]=3 265 B7R1.4 C[C@@H]1NCC[C@H]1O Q64143 [0,0,0,1,0,0|2,0,0]=3 266 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [0,0,0,1,0,0|2,0,0]=3 267 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [0,0,0,1,0,0|2,0,0]=3 268 B7R1.4 C[C@H]1CCNC1=O Q61658 [0,0,0,1,0,0|2,0,1]=4 269 B7R1.4 C[C@H]1COC[C@@H]1N L13875 [0,0,0,1,0,0|3,0,0]=4 270 B7R1.4 C[C@H]1NCC[C@@H]1O Q64142 [0,0,0,1,0,0|2,0,0]=3 271 B7R1.4 C[C@H]1NCC[C@H]1O Q64144 [0,0,0,1,0,0|2,0,0]=3 272 B7R1.4 NC1CCCC1Cl Q54474 [0,0,0,1,0,0|3,0,0]=4 273 B7R1.4 NC1CCCC1F Q54472 [0,0,0,1,0,0|3,0,0]=4 274 B7R1.4 NC1CCCC1F Q54473 [0,0,0,1,0,0|3,0,0]=4 275 B7R1.4 NC1CCCC1O F-4442 [0,0,0,1,0,0|3,0,0]=4 276 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61724 [0,0,0,1,0,0|3,0,0]=4 277 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61725 [0,0,0,1,0,0|3,0,0]=4 278 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4443 [0,0,0,1,0,0|3,0,0]=4 279 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4445 [0,0,0,1,0,0|3,0,0]=4 280 B7R1.4 N[C@@H]1CCC[C@H]1F O32983 [0,0,0,1,0,0|3,0,0]=4 281 B7R1.4 N[C@@H]1CCC[C@H]1F Q61721 [0,0,0,1,0,0|3,0,0]=4 282 B7R1.4 N[C@@H]1CCC[C@H]1F Q61728 [0,0,0,1,0,0|3,0,0]=4 283 B7R1.4 N[C@@H]1CCC[C@H]1N L21303 [0,0,0,1,0,0|3,0,0]=4 284 B7R1.4 N[C@@H]1CCC[C@H]1N Q61965 [0,0,0,1,0,0|3,0,0]=4 285 B7R1.4 N[C@@H]1CCC[C@H]1O F-4450 [0,0,0,1,0,0|3,0,0]=4 286 B7R1.4 N[C@@H]1CCC[C@H]1O I-9382 [0,0,0,1,0,0|3,0,0]=4 287 B7R1.4 N[C@H]1CCC[C@@H]1F Q61723 [0,0,0,1,0,0|3,0,0]=4 288 B7R1.4 N[C@H]1CCC[C@@H]1O F-4444 [0,0,0,1,0,0|3,0,0]=4 289 B7R1.4 N[C@H]1CCC[C@@H]1O F-4447 [0,0,0,1,0,0|3,0,0]=4 290 B7R1.4 N[C@H]1CCC[C@@H]1O F-4448 [0,0,0,1,0,0|3,0,0]=4 291 B7R1.4 N[C@H]1CCC[C@H]1F Q61722 [0,0,0,1,0,0|3,0,0]=4 292 B7R1.4 N[C@H]1CCC[C@H]1F Q61726 [0,0,0,1,0,0|3,0,0]=4 293 B7R1.4 N[C@H]1CCC[C@H]1F Q61727 [0,0,0,1,0,0|3,0,0]=4 294 B7R1.4 N[C@H]1CCC[C@H]1N O33475 [0,0,0,1,0,0|3,0,0]=4 295 B7R1.4 N[C@H]1CCC[C@H]1O F-4446 [0,0,0,1,0,0|3,0,0]=4 296 B7R1.4 N[C@H]1CCC[C@H]1O F-4449 [0,0,0,1,0,0|3,0,0]=4 297 B7R1.4 N[C@H]1CCC[C@H]1O Q52258 [0,0,0,1,0,0|3,0,0]=4 298 B7R1.4 OC1CCCC1F L19027 [0,0,0,1,0,0|3,0,0]=4 299 B7R1.4 O[C@@H]1CCC[C@H]1F Q62078 [0,0,0,1,0,0|3,0,0]=4 300 B7R1.4 O[C@H]1CCC[C@@H]1O Q61543 [0,0,0,1,0,0|3,0,0]=4 301 B7R1.6 BrCC=C1CCC1 P45894 [0,0,0,1,0,0|1,0,2]=4 302 B7R1.6 BrCCC1CCO1 Q56185 [0,0,0,1,0,0|2,0,0]=3 303 B7R1.6 BrCCC1COC1 Q62635 [0,0,0,1,0,0|2,0,0]=3 304 B7R1.6 BrCCN1CCC1 P49207 [0,0,0,1,0,0|2,0,0]=3 305 B7R1.6 C#CCN1CCC1 P48093 [0,0,0,1,0,0|2,0,1]=4 306 B7R1.6 C=CCC1CNC1 H-8202 [0,0,0,1,0,0|2,0,1]=4 307 B7R1.6 C=CCN1CCC1 P45061 [0,0,0,1,0,0|2,0,1]=4 308 B7R1.6 CCCC1CNC1 P43152 [0,0,0,1,0,0|2,0,0]=3 309 B7R1.6 CCCC1CNC1 P44924 [0,0,0,1,0,0|2,0,0]=3 310 B7R1.6 CCNC1CCC1 P34707 [0,0,0,1,0,0|2,0,0]=3 311 B7R1.6 CCNC1CCC1 P45089 [0,0,0,1,0,0|2,0,0]=3 312 B7R1.6 CCNC1CNC1 M22745 [0,0,0,1,0,0|3,0,0]=4 313 B7R1.6 CCNC1CNC1 P45767 [0,0,0,1,0,0|3,0,0]=4 314 B7R1.6 CCNC1COC1 G-6617 [0,0,0,1,0,0|3,0,0]=4 315 B7R1.6 CCOC1CNC1 O28975 [0,0,0,1,0,0|3,0,0]=4 316 B7R1.6 CCOC1CNC1 P44497 [0,0,0,1,0,0|3,0,0]=4 317 B7R1.6 CCSC1CNC1 P46826 [0,0,0,1,0,0|3,0,0]=4 318 B7R1.6 CCSC1CNC1 P48713 [0,0,0,1,0,0|3,0,0]=4 319 B7R1.6 CNCC1CCC1 P42057 [0,0,0,1,0,0|2,0,0]=3 320 B7R1.6 CNCC1CCC1 P44415 [0,0,0,1,0,0|2,0,0]=3 321 B7R1.6 CNCC1CCO1 Q55851 [0,0,0,1,0,0|3,0,0]=4 322 B7R1.6 CNCC1CNC1 P43156 [0,0,0,1,0,0|3,0,0]=4 323 B7R1.6 CNCC1CNC1 P44879 [0,0,0,1,0,0|3,0,0]=4 324 B7R1.6 CNCC1COC1 G-7362 [0,0,0,1,0,0|3,0,0]=4 325 B7R1.6 COCC1CCN1 I-9954 [0,0,0,1,0,0|3,0,0]=4 326 B7R1.6 COCC1CCN1 Q56488 [0,0,0,1,0,0|3,0,0]=4 327 B7R1.6 COCC1CCN1 Q56489 [0,0,0,1,0,0|3,0,0]=4 328 B7R1.6 COCC1CNC1 C-2240 [0,0,0,1,0,0|3,0,0]=4 329 B7R1.6 COCC1CNC1 L13685 [0,0,0,1,0,0|3,0,0]=4 330 B7R1.6 COC[C@@H]1CCN1 G-6501 [0,0,0,1,0,0|3,0,0]=4 331 B7R1.6 COC[C@@H]1CCN1 L13813 [0,0,0,1,0,0|3,0,0]=4 332 B7R1.6 COC[C@H]1CCN1 G-7976 [0,0,0,1,0,0|3,0,0]=4 333 B7R1.6 ClCOC1CCC1 P49912 [0,0,0,1,0,0|2,0,0]=3 334 B7R1.6 FCCC1CNC1 P50454 [0,0,0,1,0,0|2,0,0]=3 335 B7R1.6 ICCC1CCO1 Q56184 [0,0,0,1,0,0|2,0,0]=3 336 B7R1.6 ICCC1COC1 Q62634 [0,0,0,1,0,0|2,0,0]=3 337 B7R1.6 N#CCC1CCC1 P38067 [0,0,0,1,0,0|1,0,1]=3 338 B7R1.6 N#CCC1CNC1 F-4847 [0,0,0,1,0,0|2,0,1]=4 339 B7R1.6 N#CCC1CNC1 I-9990 [0,0,0,1,0,0|2,0,1]=4 340 B7R1.6 N#CCC1COC1 M23104 [0,0,0,1,0,0|2,0,1]=4 341 B7R1.6 N#CCN1CCC1 P45336 [0,0,0,1,0,0|2,0,1]=4 342 B7R1.6 NCCC1CCC1 L18182 [0,0,0,1,0,0|1,0,0]=2 343 B7R1.6 NCCC1CCC1 P48448 [0,0,0,1,0,0|1,0,0]=2 344 B7R1.6 NCCC1CCO1 O32973 [0,0,0,1,0,0|2,0,0]=3 345 B7R1.6 NCCC1CNC1 P48388 [0,0,0,1,0,0|2,0,0]=3 346 B7R1.6 NCCC1COC1 P49100 [0,0,0,1,0,0|2,0,0]=3 347 B7R1.6 NCCC1CSC1 Q58816 [0,0,0,1,0,0|2,0,0]=3 348 B7R1.6 NCCN1CCC1 L14069 [0,0,0,1,0,0|2,0,0]=3 349 B7R1.6 NCC[C@@H]1CCO1 Q56188 [0,0,0,1,0,0|2,0,0]=3 350 B7R1.6 NCC[C@H]1CCO1 Q56187 [0,0,0,1,0,0|2,0,0]=3 351 B7R1.6 NNCC1CCC1 L14190 [0,0,0,1,0,0|2,0,0]=3 352 B7R1.6 O=C=NC1CCC1 P45443 [0,0,0,1,0,0|1,0,2]=4 353 B7R1.6 O=CCC1CCC1 P45355 [0,0,0,1,0,0|0,0,2]=3 354 B7R1.6 O=CCC1CCO1 Q56186 [0,0,0,1,0,0|1,0,2]=4 355 B7R1.6 O=CCN1CCC1 P47882 [0,0,0,1,0,0|1,0,2]=4 356 B7R1.6 OCC=C1CCC1 P45610 [0,0,0,1,0,0|0,0,2]=3 357 B7R1.6 OCCC1CCC1 P34706 [0,0,0,1,0,0|0,0,0]=1 358 B7R1.6 OCCC1CCO1 F-4763 [0,0,0,1,0,0|1,0,0]=2 359 B7R1.6 OCCC1CNC1 L21357 [0,0,0,1,0,0|1,0,0]=2 360 B7R1.6 OCCC1CNC1 P44027 [0,0,0,1,0,0|1,0,0]=2 361 B7R1.6 OCCC1COC1 G-5285 [0,0,0,1,0,0|1,0,0]=2 362 B7R1.6 OCCC1CSC1 Q58815 [0,0,0,1,0,0|1,0,0]=2 363 B7R1.6 OCCN1CCC1 P44493 [0,0,0,1,0,0|1,0,0]=2 364 B7R1.6 OCC[C@@H]1CCO1 Q56146 [0,0,0,1,0,0|1,0,0]=2 365 B7R1.6 OCC[C@H]1CCO1 Q56145 [0,0,0,1,0,0|1,0,0]=2 366 B7R1.6 S=C=NC1CCC1 P45411 [0,0,0,1,0,0|1,1,1]=4 367 B7R1.8 CC1CCC1CO P48346 [0,0,0,1,0,0|0,0,0]=1 368 B7R1.8 CC1NCC1C#N P50215 [0,0,0,1,0,0|2,0,1]=4 369 B7R1.8 CC1OCC1CO Q56093 [0,0,0,1,0,0|1,0,0]=2 370 B7R1.8 CN1CCC1CN L18103 [0,0,0,1,0,0|2,0,0]=3 371 B7R1.8 CN1CCC1CN P43972 [0,0,0,1,0,0|2,0,0]=3 372 B7R1.8 CN1CCC1CO P47720 [0,0,0,1,0,0|1,0,0]=2 373 B7R1.8 CN1CC[C@@H]1CN L18105 [0,0,0,1,0,0|2,0,0]=3 374 B7R1.8 CN1CC[C@@H]1CN P43970 [0,0,0,1,0,0|2,0,0]=3 375 B7R1.8 CN1CC[C@@H]1CO P46629 [0,0,0,1,0,0|1,0,0]=2 376 B7R1.8 CN1CC[C@H]1CN L18104 [0,0,0,1,0,0|2,0,0]=3 377 B7R1.8 CN1CC[C@H]1CN P43971 [0,0,0,1,0,0|2,0,0]=3 378 B7R1.8 CN1CC[C@H]1CO P44139 [0,0,0,1,0,0|1,0,0]=2 379 B7R1.8 CO[C@@H]1CC[C@@H]1N P50889 [0,0,0,1,0,0|3,0,0]=4 380 B7R1.8 CO[C@@H]1CC[C@@H]1N P50890 [0,0,0,1,0,0|3,0,0]=4 381 B7R1.8 CO[C@@H]1CC[C@H]1N P46967 [0,0,0,1,0,0|3,0,0]=4 382 B7R1.8 CO[C@@H]1CC[C@H]1N P50886 [0,0,0,1,0,0|3,0,0]=4 383 B7R1.8 CO[C@H]1CC[C@@H]1N P50517 [0,0,0,1,0,0|3,0,0]=4 384 B7R1.8 CO[C@H]1CC[C@H]1N P50488 [0,0,0,1,0,0|3,0,0]=4 385 B7R1.8 NCC1CCC1F P47834 [0,0,0,1,0,0|2,0,0]=3 386 B7R1.8 NCC1CCC1F P50566 [0,0,0,1,0,0|2,0,0]=3 387 B7R1.8 O=C1CCC1CO L18510 [0,0,0,1,0,0|1,0,1]=3 388 B7R1.8 OCC1CCC1F P47249 [0,0,0,1,0,0|1,0,0]=2 389 B7R1.8 OCC1CCC1O P50851 [0,0,0,1,0,0|1,0,0]=2 390 B7R1.8 OC[C@@H]1CC[C@H]1O P50820 [0,0,0,1,0,0|1,0,0]=2 391 B7R1.8 OC[C@H]1CC[C@H]1O P48230 [0,0,0,1,0,0|1,0,0]=2 392 B7R1.9 OC[C@H]1C[C@H]1CO L22279 [0,0,0,1,0,0|1,0,0]=2 393 B7R1.10 C#CC1CC(F)C1 P47347 [0,0,0,1,0,0|1,0,2]=4 394 B7R1.10 C=C1CC(CBr)C1 P49895 [0,0,0,1,0,0|2,0,1]=4 395 B7R1.10 C=C1CC(CO)C1 P49896 [0,0,0,1,0,0|2,0,1]=4 396 B7R1.10 CCC1CC(=O)C1 P44071 [0,0,0,1,0,0|0,0,2]=3 397 B7R1.10 CCC1CC(N)C1 P48761 [0,0,0,1,0,0|1,0,0]=2 398 B7R1.10 CCN1CC(N)C1 H-8173 [0,0,0,1,0,0|2,0,0]=3 399 B7R1.10 CCN1CC(N)C1 P46517 [0,0,0,1,0,0|2,0,0]=3 400 B7R1.10 CCN1CC(O)C1 C-2413 [0,0,0,1,0,0|1,0,0]=2 401 B7R1.10 CCN1CC(O)C1 P44328 [0,0,0,1,0,0|1,0,0]=2 402 B7R1.10 CN1CC(CN)C1 I-9961 [0,0,0,1,0,0|3,0,0]=4 403 B7R1.10 CN1CC(CO)C1 L14119 [0,0,0,1,0,0|3,0,0]=4 404 B7R1.10 CN1CC(CO)C1 P45968 [0,0,0,1,0,0|3,0,0]=4 405 B7R1.10 CNC1CC(O)C1 G-5725 [0,0,0,1,0,0|1,0,0]=2 406 B7R1.10 CNC1CC(O)C1 P48534 [0,0,0,1,0,0|1,0,0]=2 407 B7R1.10 CNC1CN(C)C1 G-6504 [0,0,0,1,0,0|3,0,0]=4 408 B7R1.10 CN[C@H]1C[C@@H](O)C1 I-9565 [0,0,0,1,0,0|1,0,0]=2 409 B7R1.10 CN[C@H]1C[C@H](O)C1 G-7351 [0,0,0,1,0,0|1,0,0]=2 410 B7R1.10 CN[C@H]1C[C@H](O)C1 P49935 [0,0,0,1,0,0|1,0,0]=2 411 B7R1.10 COC1CC(=O)C1 F-4668 [0,0,0,1,0,0|1,0,2]=4 412 B7R1.10 COC1CC(Br)C1 P47967 [0,0,0,1,0,0|2,0,0]=3 413 B7R1.10 COC1CC(N)C1 C-3383 [0,0,0,1,0,0|2,0,0]=3 414 B7R1.10 COC1CC(N)C1 G-5007 [0,0,0,1,0,0|2,0,0]=3 415 B7R1.10 COC1CC(O)C1 P48191 [0,0,0,1,0,0|1,0,0]=2 416 B7R1.10 CO[C@H]1C[C@@H](N)C1 C-3621 [0,0,0,1,0,0|2,0,0]=3 417 B7R1.10 CO[C@H]1C[C@@H](N)C1 C-3621-1 [0,0,0,1,0,0|2,0,0]=3 418 B7R1.10 CO[C@H]1C[C@@H](O)C1 P46991 [0,0,0,1,0,0|1,0,0]=2 419 B7R1.10 CO[C@H]1C[C@H](Br)C1 P47002 [0,0,0,1,0,0|2,0,0]=3 420 B7R1.10 CO[C@H]1C[C@H](N)C1 C-3622 [0,0,0,1,0,0|2,0,0]=3 421 B7R1.10 CO[C@H]1C[C@H](N)C1 C-3622-1 [0,0,0,1,0,0|2,0,0]=3 422 B7R1.10 CO[C@H]1C[C@H](O)C1 P46971 [0,0,0,1,0,0|1,0,0]=2 423 B7R1.10 F[C@H]1C[C@@H](CBr)C1 P46113 [0,0,0,1,0,0|2,0,0]=3 424 B7R1.10 F[C@H]1C[C@H](CBr)C1 P47090 [0,0,0,1,0,0|2,0,0]=3 425 B7R1.10 N#CC1CC(Cl)C1 P46430 [0,0,0,1,0,0|2,0,1]=4 426 B7R1.10 N#CC1CC(F)C1 L21384 [0,0,0,1,0,0|2,0,1]=4 427 B7R1.10 N#CC1CC(N)C1 G-6943 [0,0,0,1,0,0|2,0,1]=4 428 B7R1.10 N#CC1CC(O)C1 L13803 [0,0,0,1,0,0|1,0,1]=3 429 B7R1.10 N#C[C@H]1C[C@@H](N)C1 L21346 [0,0,0,1,0,0|2,0,1]=4 430 B7R1.10 N#C[C@H]1C[C@@H](N)C1 P47440 [0,0,0,1,0,0|2,0,1]=4 431 B7R1.10 N#C[C@H]1C[C@@H](O)C1 P44973 [0,0,0,1,0,0|1,0,1]=3 432 B7R1.10 N#C[C@H]1C[C@H](N)C1 P47570 [0,0,0,1,0,0|2,0,1]=4 433 B7R1.10 N#C[C@H]1C[C@H](N)C1 P49402 [0,0,0,1,0,0|2,0,1]=4 434 B7R1.10 N#C[C@H]1C[C@H](O)C1 P44972 [0,0,0,1,0,0|1,0,1]=3 435 B7R1.10 NC1CC(CO)C1 C-3529 [0,0,0,1,0,0|2,0,0]=3 436 B7R1.10 NC1CC(CO)C1 P44453 [0,0,0,1,0,0|2,0,0]=3 437 B7R1.10 NCC1CC(=O)C1 C-2921 [0,0,0,1,0,0|1,0,2]=4 438 B7R1.10 NCC1CC(F)C1 G-6332 [0,0,0,1,0,0|2,0,0]=3 439 B7R1.10 NCC1CC(O)C1 G-5291 [0,0,0,1,0,0|1,0,0]=2 440 B7R1.10 NCC1CC(O)C1 P47397 [0,0,0,1,0,0|1,0,0]=2 441 B7R1.10 NC[C@H]1C[C@@H](F)C1 P43938 [0,0,0,1,0,0|2,0,0]=3 442 B7R1.10 NC[C@H]1C[C@@H](O)C1 C-2431 [0,0,0,1,0,0|1,0,0]=2 443 B7R1.10 NC[C@H]1C[C@@H](O)C1 P44178 [0,0,0,1,0,0|1,0,0]=2 444 B7R1.10 NC[C@H]1C[C@H](F)C1 G-7260 [0,0,0,1,0,0|2,0,0]=3 445 B7R1.10 NC[C@H]1C[C@H](O)C1 C-2432 [0,0,0,1,0,0|1,0,0]=2 446 B7R1.10 NC[C@H]1C[C@H](O)C1 C-2432-01 [0,0,0,1,0,0|1,0,0]=2 447 B7R1.10 NN[C@H]1C[C@@H](F)C1 P50331 [0,0,0,1,0,0|3,0,0]=4 448 B7R1.10 NN[C@H]1C[C@@H](O)C1 P50573 [0,0,0,1,0,0|2,0,0]=3 449 B7R1.10 NN[C@H]1C[C@H](F)C1 P50327 [0,0,0,1,0,0|3,0,0]=4 450 B7R1.10 NN[C@H]1C[C@H](O)C1 P50572 [0,0,0,1,0,0|2,0,0]=3 451 B7R1.10 N[C@H]1C[C@@H](CF)C1 P50484 [0,0,0,1,0,0|2,0,0]=3 452 B7R1.10 N[C@H]1C[C@@H](CO)C1 C-3635 [0,0,0,1,0,0|2,0,0]=3 453 B7R1.10 N[C@H]1C[C@@H](CO)C1 P48253 [0,0,0,1,0,0|2,0,0]=3 454 B7R1.10 N[C@H]1C[C@H](CO)C1 C-3636 [0,0,0,1,0,0|2,0,0]=3 455 B7R1.10 N[C@H]1C[C@H](CO)C1 P49246 [0,0,0,1,0,0|2,0,0]=3 456 B7R1.10 O=C1CC(CBr)C1 G-6631 [0,0,0,1,0,0|1,0,2]=4 457 B7R1.10 O=C1CC(CCl)C1 L13121 [0,0,0,1,0,0|1,0,2]=4 458 B7R1.10 O=C1CC(CF)C1 P44872 [0,0,0,1,0,0|1,0,2]=4 459 B7R1.10 O=C1CC(CO)C1 D-2565 [0,0,0,1,0,0|1,0,2]=4 460 B7R1.10 O=CC1CC(F)C1 P47244 [0,0,0,1,0,0|2,0,1]=4 461 B7R1.10 OC1CC(CBr)C1 P47356 [0,0,0,1,0,0|1,0,0]=2 462 B7R1.10 OC1CC(CF)C1 P47254 [0,0,0,1,0,0|1,0,0]=2 463 B7R1.10 OCC1CC(Cl)C1 I-9035 [0,0,0,1,0,0|2,0,0]=3 464 B7R1.10 OCC1CC(F)C1 O33399 [0,0,0,1,0,0|2,0,0]=3 465 B7R1.10 OCC1CC(O)C1 P49195 [0,0,0,1,0,0|1,0,0]=2 466 B7R1.10 O[C@H]1C[C@@H](CBr)C1 P46704 [0,0,0,1,0,0|1,0,0]=2 467 B7R1.10 O[C@H]1C[C@@H](CF)C1 P46123 [0,0,0,1,0,0|1,0,0]=2 468 B7R1.10 O[C@H]1C[C@H](CBr)C1 P46014 [0,0,0,1,0,0|1,0,0]=2 469 B7R1.21 CC1(CCO)CC1 L14283 [0,0,0,1,0,0|0,0,0]=1 470 B7R1.21 OCCC1(O)CC1 O33441 [0,0,0,1,0,0|1,0,0]=2 471 B7R1.22 CCC(=O)C1CC1 I-9941 [0,0,0,1,0,0|2,0,1]=4 472 B7R1.22 CCC(N)C1CC1 L14734 [0,0,0,1,0,0|2,0,0]=3 473 B7R1.22 CCC(O)C1CC1 L14172 [0,0,0,1,0,0|2,0,0]=3 474 B7R1.22 CNC(C)C1CC1 P42683 [0,0,0,1,0,0|2,0,0]=3 475 B7R1.22 NC(CO)C1CC1 P36106 [0,0,0,1,0,0|3,0,0]=4 476 B7R1.22 NCC(O)C1CC1 P37544 [0,0,0,1,0,0|3,0,0]=4 477 B7R1.22 N[C@@H](CO)C1CC1 P41862 [0,0,0,1,0,0|3,0,0]=4 478 B7R1.22 N[C@H](CO)C1CC1 P42349 [0,0,0,1,0,0|3,0,0]=4 479 B7R1.25 CC1(C=O)CCC1 P45357 [0,0,0,1,0,0|2,0,1]=4 480 B7R1.25 CC1(CBr)CCC1 P44691 [0,0,0,1,0,0|2,0,0]=3 481 B7R1.25 CC1(CBr)CCO1 Q54729 [0,0,0,1,0,0|1,0,0]=2 482 B7R1.25 CC1(CBr)CNC1 P50067 [0,0,0,1,0,0|3,0,0]=4 483 B7R1.25 CC1(CBr)COC1 C-3487 [0,0,0,1,0,0|3,0,0]=4 484 B7R1.25 CC1(CCl)CCC1 P45668 [0,0,0,1,0,0|2,0,0]=3 485 B7R1.25 CC1(CF)CCN1 P47255 [0,0,0,1,0,0|2,0,0]=3 486 B7R1.25 CC1(CF)CNC1 P47232 [0,0,0,1,0,0|3,0,0]=4 487 B7R1.25 CC1(CF)CNC1 P50193 [0,0,0,1,0,0|3,0,0]=4 488 B7R1.25 CC1(CI)CCO1 Q55856 [0,0,0,1,0,0|1,0,0]=2 489 B7R1.25 CC1(CI)COC1 G-5286 [0,0,0,1,0,0|3,0,0]=4 490 B7R1.25 CC1(CN)CCC1 G-6314 [0,0,0,1,0,0|2,0,0]=3 491 B7R1.25 CC1(CN)CCC1 P44811 [0,0,0,1,0,0|2,0,0]=3 492 B7R1.25 CC1(CN)CCO1 Q55436 [0,0,0,1,0,0|1,0,0]=2 493 B7R1.25 CC1(CN)CNC1 G-5893 [0,0,0,1,0,0|3,0,0]=4 494 B7R1.25 CC1(CN)COC1 C-2245 [0,0,0,1,0,0|3,0,0]=4 495 B7R1.25 CC1(CO)CCC1 P38399 [0,0,0,1,0,0|2,0,0]=3 496 B7R1.25 CC1(CO)CCN1 P48829 [0,0,0,1,0,0|2,0,0]=3 497 B7R1.25 CC1(CO)CCN1 P50194 [0,0,0,1,0,0|2,0,0]=3 498 B7R1.25 CC1(CO)CCN1 P50195 [0,0,0,1,0,0|2,0,0]=3 499 B7R1.25 CC1(CO)CCO1 Q62788 [0,0,0,1,0,0|1,0,0]=2 500 B7R1.25 CC1(CO)CNC1 L21441 [0,0,0,1,0,0|3,0,0]=4 501 B7R1.25 CC1(CO)CNC1 P48076 [0,0,0,1,0,0|3,0,0]=4 502 B7R1.25 CC1(CS)COC1 Q51971 [0,0,0,1,0,0|3,0,0]=4 503 B7R1.25 CCC1(C)CNC1 P47022 [0,0,0,1,0,0|2,0,0]=3 504 B7R1.25 CCC1(C)CNC1 P47941 [0,0,0,1,0,0|2,0,0]=3 505 B7R1.25 CCC1(N)CCC1 P45271 [0,0,0,1,0,0|2,0,0]=3 506 B7R1.25 CCC1(N)CCC1 P45837 [0,0,0,1,0,0|2,0,0]=3 507 B7R1.25 CCC1(N)CNC1 O33281 [0,0,0,1,0,0|3,0,0]=4 508 B7R1.25 CCC1(N)CNC1 P43157 [0,0,0,1,0,0|3,0,0]=4 509 B7R1.25 CCC1(N)CNC1 P45038 [0,0,0,1,0,0|3,0,0]=4 510 B7R1.25 CCC1(N)COC1 G-5819 [0,0,0,1,0,0|3,0,0]=4 511 B7R1.25 CCC1(O)CNC1 D-2504 [0,0,0,1,0,0|3,0,0]=4 512 B7R1.25 CCC1(O)CNC1 P48641 [0,0,0,1,0,0|3,0,0]=4 513 B7R1.25 CNC1(C)CNC1 P43151 [0,0,0,1,0,0|3,0,0]=4 514 B7R1.25 CNC1(C)CNC1 P48000 [0,0,0,1,0,0|3,0,0]=4 515 B7R1.25 CNC1(C)COC1 L21548 [0,0,0,1,0,0|3,0,0]=4 516 B7R1.25 COC1(C)CNC1 D-2562 [0,0,0,1,0,0|3,0,0]=4 517 B7R1.25 COC1(C)CNC1 P44994 [0,0,0,1,0,0|3,0,0]=4 518 B7R1.25 FC1(CBr)CCC1 P48063 [0,0,0,1,0,0|3,0,0]=4 519 B7R1.25 NC1(CF)CCC1 P48954 [0,0,0,1,0,0|3,0,0]=4 520 B7R1.25 NC1(CF)CCC1 P48955 [0,0,0,1,0,0|3,0,0]=4 521 B7R1.25 NC1(CO)CCC1 L13691 [0,0,0,1,0,0|3,0,0]=4 522 B7R1.25 NC1(CO)CCC1 P47084 [0,0,0,1,0,0|3,0,0]=4 523 B7R1.25 NCC1(F)CCC1 L14376 [0,0,0,1,0,0|3,0,0]=4 524 B7R1.25 NCC1(N)CCC1 P45183 [0,0,0,1,0,0|3,0,0]=4 525 B7R1.25 NCC1(N)CCC1 P45615 [0,0,0,1,0,0|3,0,0]=4 526 B7R1.25 NCC1(O)CCC1 L14902 [0,0,0,1,0,0|3,0,0]=4 527 B7R1.25 OCC1(F)CCC1 P48894 [0,0,0,1,0,0|3,0,0]=4 528 B4R0.1 C#C[C@H](C)O Q52831 [2,0,0,0,0,0|0,0,2]=4 529 B4R0.1 CC(Br)CO O34000 [2,0,0,0,0,0|1,0,0]=3 530 B4R0.1 CC(C)NO O30196 [2,0,0,0,0,0|1,0,0]=3 531 B4R0.1 CC(N)CS L19436 [2,0,0,0,0,0|1,1,0]=4 532 B4R0.1 CC(S)CN L19389 [2,0,0,0,0,0|1,1,0]=4 533 B4R0.1 C[C@@H](Cl)CO 10058 [2,0,0,0,0,0|1,0,0]=3 534 B4R0.2 CCCNN O30752 [2,0,0,0,0,0|2,0,0]=4 535 B4R0.2 CNCCBr O34465 [2,0,0,0,0,0|2,0,0]=4 536 B4R0.2 COCCI O28025 [2,0,0,0,0,0|2,0,0]=4 537 B4R0.2 CSCCBr O31085 [2,0,0,0,0,0|2,0,0]=4 538 B4R0.2 CSCCN P36563 [2,0,0,0,0,0|2,0,0]=4 539 B4R0.2 NCCCS A-986 [2,0,0,0,0,0|1,1,0]=4 540 B4R0.2 NCCCS M15465 [2,0,0,0,0,0|1,1,0]=4 541 B6R0.2 CC(C)C[C@@H](C)O Q70085 [1,1,0,0,0,0|0,0,0]=2 542 B6R0.2 CC(N)CN(C)C P42731 [1,1,0,0,0,0|2,0,0]=4 543 B6R0.2 CC(O)CC(=O)O P38963 [1,1,0,0,0,0|1,0,1]=4 544 B6R0.2 C[C@@H](N)CC(=O)O P38442 [1,1,0,0,0,0|1,0,1]=4 545 B6R0.2 C[C@@H](N)CC(=O)O Q68956 [1,1,0,0,0,0|1,0,1]=4 546 B6R0.2 C[C@@H](N)CN(C)C P38236 [1,1,0,0,0,0|2,0,0]=4 547 B6R0.2 C[C@@H](O)CC(=O)O P36990 [1,1,0,0,0,0|1,0,1]=4 548 B6R0.2 C[C@H](N)CC(=O)O P38443 [1,1,0,0,0,0|1,0,1]=4 549 B6R0.2 C[C@H](N)CN(C)C P35926 [1,1,0,0,0,0|2,0,0]=4 550 B6R0.2 C[C@H](O)CC(=O)O P37046 [1,1,0,0,0,0|1,0,1]=4 551 B6R0.3 CC(C)C(C)NN P42479 [1,1,0,0,0,0|2,0,0]=4 552 B6R0.3 CC(C)C(O)CN P40479 [1,1,0,0,0,0|1,0,0]=3 553 B6R0.3 CC(C)[C@@H](N)CO L13788 [1,1,0,0,0,0|0,0,0]=2 554 B6R0.3 CCC(C)C(C)N O31127 [1,1,0,0,0,0|2,0,0]=4 555 B6R0.3 CCC(N)C(C)O L20519 [1,1,0,0,0,0|2,0,0]=4 556 B6R0.4 C#CCCC(C)O L18987 [1,1,0,0,0,0|2,0,0]=4 557 B6R0.4 C#CCNC(C)C L20531 [1,1,0,0,0,0|1,0,1]=4 558 B6R0.4 C#CCOC(C)C O29863 [1,1,0,0,0,0|1,0,1]=4 559 B6R0.4 CC(Br)CCC#N L20214 [1,1,0,0,0,0|2,0,0]=4 560 B6R0.4 CC(C)CCON L20789 [1,1,0,0,0,0|0,0,0]=2 561 B6R0.4 CC(C)NCC#N O29997 [1,1,0,0,0,0|1,0,1]=4 562 B6R0.4 CC(C)NCC#N O32001 [1,1,0,0,0,0|1,0,1]=4 563 B6R0.4 CC(C)NCCCl O34399 [1,1,0,0,0,0|1,0,0]=3 564 B6R0.4 CN(C)CCCBr O34500 [1,1,0,0,0,0|2,0,0]=4 565 B6R0.4 CNCCC(C)O P38146 [1,1,0,0,0,0|2,0,0]=4 566 B6R0.5 CC(C)(C)CCN O30845 [1,1,0,0,0,0|1,0,0]=3 567 B6R0.5 CC(C)(C)CNN H-8571 [1,1,0,0,0,0|2,0,0]=4 568 B6R0.5 CC(C)(O)CCBr H-8053 [1,1,0,0,0,0|1,0,0]=3 569 B6R0.5 CC(C)(O)CCN M22892 [1,1,0,0,0,0|1,0,0]=3 570 B6R0.5 CC(C)(O)CNN H-8573 [1,1,0,0,0,0|2,0,0]=4 571 B6R0.5 CNCC(C)(C)C P38864 [1,1,0,0,0,0|2,0,0]=4 572 B6R0.5 CNCC(C)(C)O F-4611 [1,1,0,0,0,0|2,0,0]=4 573 B6R0.5 COCC(C)(C)N P39356 [1,1,0,0,0,0|2,0,0]=4 574 B6R0.5 OCCC(F)(F)F P39569 [1,1,0,0,0,0|2,0,0]=4 575 B6R0.6 BrCCNCCBr M15186 [1,1,0,0,0,0|2,0,0]=4 576 B6R0.6 C#CCCCCI P39398 [1,1,0,0,0,0|1,0,1]=4 577 B6R0.6 C#CCCCCN O31570 [1,1,0,0,0,0|1,0,1]=4 578 B6R0.6 C#CCCCNC L19187 [1,1,0,0,0,0|1,0,1]=4 579 B6R0.6 CNCCCCN L19491 [1,1,0,0,0,0|1,0,0]=3 580 B6R0.6 CNCCCOC P37437 [1,1,0,0,0,0|1,0,0]=3 581 B6R0.6 COCCCCN O29739 [1,1,0,0,0,0|1,0,0]=3 582 B6R0.6 NCCOCCN P39125 [1,1,0,0,0,0|2,0,0]=4 583 B6R0.6 OCCOCCBr P37296 [1,1,0,0,0,0|1,0,0]=3 584 B6R0.6 OCCOCCI P41754 [1,1,0,0,0,0|1,0,0]=3 585 B6R0.6 [N-]=[N+]=NCCCO Q66001 [1,1,0,0,0,0|2,0,0]=4 586 B6R0.8 C#CC(C)(C)CO G-7458 [1,1,0,0,0,0|0,0,2]=4 587 B6R0.8 C#CC(C)(N)CC M15500 [1,1,0,0,0,0|0,0,2]=4 588 B6R0.8 CC(C)(C#N)CO M23089 [1,1,0,0,0,0|1,0,1]=4 589 B6R0.8 CC(F)(CO)CO Q69405 [1,1,0,0,0,0|1,0,0]=3 590 B6R0.8 CCC(C)(C)CO O30180 [1,1,0,0,0,0|0,0,0]=2 591 B6R0.8 CNC(C)(C)CO P39121 [1,1,0,0,0,0|1,0,0]=3 592 B6R0.8 COC(C)(C)CN P35337 [1,1,0,0,0,0|2,0,0]=4 593 B6R0.8 NCC(F)(F)CO F-4867 [1,1,0,0,0,0|2,0,0]=4 594 B6R0.8 OCC(F)(F)CO O32548 [1,1,0,0,0,0|2,0,0]=4 595 B6R0.9 CCC(CC)NN O31133 [1,1,0,0,0,0|1,0,0]=3 596 B6R0.9 NCC(CO)CO F-4437 [1,1,0,0,0,0|1,0,0]=3 597 B6R0.9 OCC(CO)CO F-4239 [1,1,0,0,0,0|1,0,0]=3 598 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O O28696 [0,2,0,0,0,0|0,0,1]=3 599 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O O28455 [0,2,0,0,0,0|0,0,1]=3 600 B8R0.5 CCOC(=O)C[C@@H](C)O P39378 [0,2,0,0,0,0|1,0,1]=4 601 B8R0.5 COCC(O)CC(=O)O F-4460 [0,2,0,0,0,0|1,0,1]=4 602 B8R0.16 CCN(CC)CC(=O)O P40850 [0,2,0,0,0,0|1,0,1]=4 603 B8R0.16 CCN(CC)C[C@@H](C)N P36009 [0,2,0,0,0,0|2,0,0]=4 604 B8R0.16 CCN(CC)C[C@H](C)N P36511 [0,2,0,0,0,0|2,0,0]=4 605 B8R0.23 CC(C)C(N)CC(=O)O M22680 [0,2,0,0,0,0|1,0,1]=4 606 B8R0.23 CC(C)N(C)CC(=O)O P42706 [0,2,0,0,0,0|1,0,1]=4 607 B8R0.23 CC(C)[C@@H](N)CC(=O)O P38250 [0,2,0,0,0,0|1,0,1]=4 608 B8R0.23 CC(C)[C@@H](N)CC(=O)O Q68993 [0,2,0,0,0,0|1,0,1]=4 609 B8R0.23 CC(C)[C@H](N)CC(=O)O P36212 [0,2,0,0,0,0|1,0,1]=4 610 B8R0.23 CC(C)[C@H](N)CC(=O)O Q68999 [0,2,0,0,0,0|1,0,1]=4 611 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68990 [0,2,0,0,0,0|1,0,1]=4 612 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O Q68992 [0,2,0,0,0,0|1,0,1]=4 613 B8R0.34 COC(C)(C)CC(=O)O O32626 [0,2,0,0,0,0|1,0,1]=4 614 B8R0.1 CCCCN(C)CCO Q66068 [0,2,0,0,0,0|1,0,0]=3 615 B8R0.9 CCC(C)OCC(=O)O P34749 [0,2,0,0,0,0|0,0,1]=3 616 B8R0.25 CCC#CC(C)(O)CC O32146 [0,2,0,0,0,0|1,0,1]=4 617 B8R0.12 C=CCC(C)(O)C(C)C O31225 [0,2,0,0,0,0|1,0,1]=4 618 B8R0.22 CCCC(CBr)CCC O29610 [0,2,0,0,0,0|1,0,0]=3 619 B6R1.2 BrC1CCOC1 C-3309 [1,0,0,1,0,0|1,0,0]=3 620 B6R1.2 CC1CCCN1 Q61737 [1,0,0,1,0,0|2,0,0]=4 621 B6R1.2 CC1CCNC1 M22664 [1,0,0,1,0,0|1,0,0]=3 622 B6R1.2 C[C@@H]1CCCN1 L14631 [1,0,0,1,0,0|2,0,0]=4 623 B6R1.2 C[C@@H]1CCNC1 L13628 [1,0,0,1,0,0|1,0,0]=3 624 B6R1.2 C[C@H]1CCNC1 L14084 [1,0,0,1,0,0|1,0,0]=3 625 B6R1.2 ClC1CCNC1 P42791 [1,0,0,1,0,0|2,0,0]=4 626 B6R1.2 FC1CCNC1 A-349 [1,0,0,1,0,0|2,0,0]=4 627 B6R1.2 FC1CCNC1 C-2208 [1,0,0,1,0,0|2,0,0]=4 628 B6R1.2 FC1CCNC1 P51370 [1,0,0,1,0,0|2,0,0]=4 629 B6R1.2 F[C@@H]1CCNC1 O33274 [1,0,0,1,0,0|2,0,0]=4 630 B6R1.2 F[C@H]1CCNC1 A-348 [1,0,0,1,0,0|2,0,0]=4 631 B6R1.2 F[C@H]1CCNC1 L22005 [1,0,0,1,0,0|2,0,0]=4 632 B6R1.2 IC1CCCC1 I-9679 [1,0,0,1,0,0|2,0,0]=4 633 B6R1.2 IC1CCOC1 C-3308 [1,0,0,1,0,0|1,0,0]=3 634 B6R1.2 I[C@@H]1CCOC1 G-5348 [1,0,0,1,0,0|1,0,0]=3 635 B6R1.2 I[C@H]1CCOC1 G-5349 [1,0,0,1,0,0|1,0,0]=3 636 B6R1.2 NC1CCOC1 B-1171 [1,0,0,1,0,0|1,0,0]=3 637 B6R1.2 NC1CCOC1 P39935 [1,0,0,1,0,0|1,0,0]=3 638 B6R1.2 N[C@@H]1CCOC1 F-4072 [1,0,0,1,0,0|1,0,0]=3 639 B6R1.2 N[C@@H]1CCOC1 G-5144 [1,0,0,1,0,0|1,0,0]=3 640 B6R1.2 N[C@H]1CCOC1 F-4071 [1,0,0,1,0,0|1,0,0]=3 641 B6R1.2 N[C@H]1CCOC1 G-5145 [1,0,0,1,0,0|1,0,0]=3 642 B6R1.2 O=C1CCOC1 B-1767 [1,0,0,1,0,0|1,0,1]=4 643 B6R1.2 OC1CCNC1 G-5959 [1,0,0,1,0,0|2,0,0]=4 644 B6R1.2 OC1CCNC1 I-9548 [1,0,0,1,0,0|2,0,0]=4 645 B6R1.2 OC1CCOC1 C-3328 [1,0,0,1,0,0|1,0,0]=3 646 B6R1.2 O[C@@H]1CCOC1 G-5347 [1,0,0,1,0,0|1,0,0]=3 647 B6R1.2 O[C@H]1CCOC1 G-6766 [1,0,0,1,0,0|1,0,0]=3 648 B6R1.3 BrCCC1CC1 O33551 [1,0,0,1,0,0|1,0,0]=3 649 B6R1.3 BrCC[C@H]1CO1 P51572 [1,0,0,1,0,0|2,0,0]=4 650 B6R1.3 CCNC1CC1 P36705 [1,0,0,1,0,0|2,0,0]=4 651 B6R1.3 CNCC1CC1 L13551 [1,0,0,1,0,0|2,0,0]=4 652 B6R1.3 ICCC1CC1 I-9916 [1,0,0,1,0,0|1,0,0]=3 653 B6R1.3 N#CCC1CC1 O33326 [1,0,0,1,0,0|1,0,1]=4 654 B6R1.3 NCCC1CC1 G-5988 [1,0,0,1,0,0|1,0,0]=3 655 B6R1.3 NCCN1CC1 P45652 [1,0,0,1,0,0|2,0,0]=4 656 B6R1.3 NNCC1CC1 H-8575 [1,0,0,1,0,0|2,0,0]=4 657 B6R1.3 NNCC1CC1 I-9542 [1,0,0,1,0,0|2,0,0]=4 658 B6R1.3 NNCC1CC1 K12084 [1,0,0,1,0,0|2,0,0]=4 659 B6R1.3 NNCC1CC1 L13728 [1,0,0,1,0,0|2,0,0]=4 660 B6R1.3 OCCC1CC1 G-5984 [1,0,0,1,0,0|0,0,0]=2 661 B6R1.5 C=C1CC(O)C1 P45320 [1,0,0,1,0,0|0,0,2]=4 662 B6R1.5 CC1CC(=O)C1 L18001 [1,0,0,1,0,0|0,0,2]=4 663 B6R1.5 CC1CC(C)N1 P47027 [1,0,0,1,0,0|2,0,0]=4 664 B6R1.5 CC1CC(C)N1 P48835 [1,0,0,1,0,0|2,0,0]=4 665 B6R1.5 CC1CC(N)C1 P44935 [1,0,0,1,0,0|1,0,0]=3 666 B6R1.5 CC1CC(N)C1 P44936 [1,0,0,1,0,0|1,0,0]=3 667 B6R1.5 CC1CC(O)C1 P44316 [1,0,0,1,0,0|0,0,0]=2 668 B6R1.5 CN1CC(Cl)C1 P45381 [1,0,0,1,0,0|2,0,0]=4 669 B6R1.5 CN1CC(Cl)C1 Q56193 [1,0,0,1,0,0|2,0,0]=4 670 B6R1.5 CN1CC(N)C1 C-2453 [1,0,0,1,0,0|2,0,0]=4 671 B6R1.5 CN1CC(N)C1 O28765 [1,0,0,1,0,0|2,0,0]=4 672 B6R1.5 CN1CC(O)C1 C-2454 [1,0,0,1,0,0|1,0,0]=3 673 B6R1.5 CN1CC(O)C1 C-2454-1 [1,0,0,1,0,0|1,0,0]=3 674 B6R1.5 C[C@@H]1C[C@@H](C)N1 P45580 [1,0,0,1,0,0|2,0,0]=4 675 B6R1.5 C[C@H]1C[C@@H](C)N1 P50117 [1,0,0,1,0,0|2,0,0]=4 676 B6R1.5 C[C@H]1C[C@@H](N)C1 O33385 [1,0,0,1,0,0|1,0,0]=3 677 B6R1.5 C[C@H]1C[C@@H](N)C1 P46389 [1,0,0,1,0,0|1,0,0]=3 678 B6R1.5 C[C@H]1C[C@@H](O)C1 P46931 [1,0,0,1,0,0|0,0,0]=2 679 B6R1.5 C[C@H]1C[C@H](C)N1 P45579 [1,0,0,1,0,0|2,0,0]=4 680 B6R1.5 C[C@H]1C[C@H](N)C1 P46388 [1,0,0,1,0,0|1,0,0]=3 681 B6R1.5 C[C@H]1C[C@H](N)C1 P50114 [1,0,0,1,0,0|1,0,0]=3 682 B6R1.5 C[C@H]1C[C@H](O)C1 P47360 [1,0,0,1,0,0|0,0,0]=2 683 B6R1.5 NC1CC(F)C1 C-3436 [1,0,0,1,0,0|2,0,0]=4 684 B6R1.5 NC1CC(F)C1 C-3436-1 [1,0,0,1,0,0|2,0,0]=4 685 B6R1.5 NC1CC(N)C1 G-7909 [1,0,0,1,0,0|2,0,0]=4 686 B6R1.5 NC1CC(N)C1 P48839 [1,0,0,1,0,0|2,0,0]=4 687 B6R1.5 NC1CC(O)C1 C-3623 [1,0,0,1,0,0|1,0,0]=3 688 B6R1.5 NC1CC(O)C1 L13650 [1,0,0,1,0,0|1,0,0]=3 689 B6R1.5 NN1CC(O)C1 L18024 [1,0,0,1,0,0|2,0,0]=4 690 B6R1.5 NN1CC(O)C1 P44948 [1,0,0,1,0,0|2,0,0]=4 691 B6R1.5 N[C@H]1C[C@@H](Br)C1 P50483 [1,0,0,1,0,0|2,0,0]=4 692 B6R1.5 N[C@H]1C[C@@H](F)C1 G-7327 [1,0,0,1,0,0|2,0,0]=4 693 B6R1.5 N[C@H]1C[C@@H](F)C1 P44134 [1,0,0,1,0,0|2,0,0]=4 694 B6R1.5 N[C@H]1C[C@@H](N)C1 G-7228 [1,0,0,1,0,0|2,0,0]=4 695 B6R1.5 N[C@H]1C[C@@H](N)C1 P48601 [1,0,0,1,0,0|2,0,0]=4 696 B6R1.5 N[C@H]1C[C@@H](O)C1 C-3619 [1,0,0,1,0,0|1,0,0]=3 697 B6R1.5 N[C@H]1C[C@@H](O)C1 P49926 [1,0,0,1,0,0|1,0,0]=3 698 B6R1.5 N[C@H]1C[C@H](F)C1 G-7326 [1,0,0,1,0,0|2,0,0]=4 699 B6R1.5 N[C@H]1C[C@H](F)C1 P44133 [1,0,0,1,0,0|2,0,0]=4 700 B6R1.5 N[C@H]1C[C@H](N)C1 G-7229 [1,0,0,1,0,0|2,0,0]=4 701 B6R1.5 N[C@H]1C[C@H](N)C1 G-7230 [1,0,0,1,0,0|2,0,0]=4 702 B6R1.5 N[C@H]1C[C@H](O)C1 C-3620 [1,0,0,1,0,0|1,0,0]=3 703 B6R1.5 N[C@H]1C[C@H](O)C1 L14309 [1,0,0,1,0,0|1,0,0]=3 704 B6R1.5 O=C1CC(O)C1 F-4733 [1,0,0,1,0,0|1,0,1]=4 705 B6R1.5 OC1CC(F)C1 I-9823 [1,0,0,1,0,0|1,0,0]=3 706 B6R1.5 OC1CC(O)C1 P45378 [1,0,0,1,0,0|1,0,0]=3 707 B6R1.5 O[C@H]1C[C@@H](F)C1 L18143 [1,0,0,1,0,0|1,0,0]=3 708 B6R1.5 O[C@H]1C[C@@H](O)C1 P48796 [1,0,0,1,0,0|1,0,0]=3 709 B6R1.5 O[C@H]1C[C@H](F)C1 G-7980 [1,0,0,1,0,0|1,0,0]=3 710 B6R1.5 O[C@H]1C[C@H](O)C1 P48795 [1,0,0,1,0,0|1,0,0]=3 711 B6R1.8 C[C@H]1C[C@H]1CO P43750 [1,0,0,1,0,0|0,0,0]=2 712 B6R1.9 CC1(C)CC1Br O33124 [1,0,0,1,0,0|1,0,0]=3 713 B6R1.10 CC1(Br)CCC1 P45156 [1,0,0,1,0,0|2,0,0]=4 714 B6R1.10 CC1(C)CCN1 P49830 [1,0,0,1,0,0|1,0,0]=3 715 B6R1.10 CC1(C)CCN1 P49838 [1,0,0,1,0,0|1,0,0]=3 716 B6R1.10 CC1(C)CNC1 G-7241 [1,0,0,1,0,0|2,0,0]=4 717 B6R1.10 CC1(C)CNC1 P46487 [1,0,0,1,0,0|2,0,0]=4 718 B6R1.10 CC1(I)CCC1 P44701 [1,0,0,1,0,0|2,0,0]=4 719 B6R1.10 CC1(N)CCC1 L13595 [1,0,0,1,0,0|2,0,0]=4 720 B6R1.10 CC1(N)CCC1 P45646 [1,0,0,1,0,0|2,0,0]=4 721 B6R1.10 CC1(O)CCC1 P39996 [1,0,0,1,0,0|2,0,0]=4 722 B6R1.11 CC(N)C1CC1 A-640 [1,0,0,1,0,0|2,0,0]=4 723 B6R1.11 CC(N)C1CC1 A-640-HCL [1,0,0,1,0,0|2,0,0]=4 724 B6R1.11 C[C@@H](N)C1CC1 P46530 [1,0,0,1,0,0|2,0,0]=4 725 B6R1.11 C[C@H](N)C1CC1 L14639 [1,0,0,1,0,0|2,0,0]=4 726 B6R1.11 C[C@H](O)C1CC1 K13410 [1,0,0,1,0,0|2,0,0]=4 727 B6R1.1 C1=CCOCC1 G-7030 [1,0,0,1,0,0|0,0,2]=4 728 B6R1.4 CC1CCC1=O P47956 [1,0,0,1,0,0|0,0,2]=4 729 B6R1.4 CC1CCC1N P44937 [1,0,0,1,0,0|1,0,0]=3 730 B6R1.4 CC1CCC1N P47065 [1,0,0,1,0,0|1,0,0]=3 731 B6R1.4 CC1CCC1O L20058 [1,0,0,1,0,0|0,0,0]=2 732 B6R1.4 CC1CNC1C P45190 [1,0,0,1,0,0|2,0,0]=4 733 B6R1.4 CC1CNC1C P46961 [1,0,0,1,0,0|2,0,0]=4 734 B6R1.4 CC1NCC1F P47439 [1,0,0,1,0,0|2,0,0]=4 735 B6R1.4 CC1NCC1F P47451 [1,0,0,1,0,0|2,0,0]=4 736 B6R1.4 CC1NCC1O P44849 [1,0,0,1,0,0|1,0,0]=3 737 B6R1.4 CC1NCC1O P44851 [1,0,0,1,0,0|1,0,0]=3 738 B6R1.4 CC1OCC1Br Q56171 [1,0,0,1,0,0|2,0,0]=4 739 B6R1.4 CC1OCC1I Q56172 [1,0,0,1,0,0|2,0,0]=4 740 B6R1.4 CC1OCC1N Q56170 [1,0,0,1,0,0|2,0,0]=4 741 B6R1.4 CC1OCC1O L18037 [1,0,0,1,0,0|1,0,0]=3 742 B6R1.4 C[C@@H]1NCC1F P50109 [1,0,0,1,0,0|2,0,0]=4 743 B6R1.4 C[C@@H]1NCC1O P47321 [1,0,0,1,0,0|1,0,0]=3 744 B6R1.4 C[C@@H]1NC[C@@H]1F P50877 [1,0,0,1,0,0|2,0,0]=4 745 B6R1.4 C[C@@H]1NC[C@@H]1F P50878 [1,0,0,1,0,0|2,0,0]=4 746 B6R1.4 C[C@@H]1NC[C@@H]1O P46638 [1,0,0,1,0,0|1,0,0]=3 747 B6R1.4 C[C@@H]1NC[C@@H]1O P48644 [1,0,0,1,0,0|1,0,0]=3 748 B6R1.4 C[C@@H]1NC[C@@H]1O P48652 [1,0,0,1,0,0|1,0,0]=3 749 B6R1.4 C[C@@H]1NC[C@@H]1O P50879 [1,0,0,1,0,0|1,0,0]=3 750 B6R1.4 C[C@@H]1NC[C@H]1F P50880 [1,0,0,1,0,0|2,0,0]=4 751 B6R1.4 C[C@@H]1NC[C@H]1F P50881 [1,0,0,1,0,0|2,0,0]=4 752 B6R1.4 C[C@@H]1NC[C@H]1O P46945 [1,0,0,1,0,0|1,0,0]=3 753 B6R1.4 C[C@@H]1NC[C@H]1O P48643 [1,0,0,1,0,0|1,0,0]=3 754 B6R1.4 C[C@@H]1NC[C@H]1O P48651 [1,0,0,1,0,0|1,0,0]=3 755 B6R1.4 C[C@@H]1OC[C@H]1O Q56119 [1,0,0,1,0,0|1,0,0]=3 756 B6R1.4 C[C@H]1NCC1F P50084 [1,0,0,1,0,0|2,0,0]=4 757 B6R1.4 C[C@H]1NCC1O P50087 [1,0,0,1,0,0|1,0,0]=3 758 B6R1.4 C[C@H]1NC[C@@H]1F P50079 [1,0,0,1,0,0|2,0,0]=4 759 B6R1.4 C[C@H]1NC[C@@H]1O P50080 [1,0,0,1,0,0|1,0,0]=3 760 B6R1.4 C[C@H]1NC[C@H]1F P50081 [1,0,0,1,0,0|2,0,0]=4 761 B6R1.4 C[C@H]1NC[C@H]1O P50082 [1,0,0,1,0,0|1,0,0]=3 762 B6R1.4 C[C@H]1NC[C@H]1O P50119 [1,0,0,1,0,0|1,0,0]=3 763 B6R1.4 C[C@H]1OC[C@H]1O Q56118 [1,0,0,1,0,0|1,0,0]=3 764 B6R1.4 NC1CCC1F P47239 [1,0,0,1,0,0|2,0,0]=4 765 B6R1.4 NC1CCC1F Q56123 [1,0,0,1,0,0|2,0,0]=4 766 B6R1.4 NC1CCC1O P45290 [1,0,0,1,0,0|1,0,0]=3 767 B6R1.4 NC1CCC1O P48134 [1,0,0,1,0,0|1,0,0]=3 768 B6R1.4 N[C@@H]1CC[C@@H]1O P43811 [1,0,0,1,0,0|1,0,0]=3 769 B6R1.4 N[C@@H]1CC[C@@H]1O P45279 [1,0,0,1,0,0|1,0,0]=3 770 B6R1.4 N[C@@H]1CC[C@@H]1O P45323 [1,0,0,1,0,0|1,0,0]=3 771 B6R1.4 N[C@@H]1CC[C@H]1O P45283 [1,0,0,1,0,0|1,0,0]=3 772 B6R1.4 N[C@@H]1CC[C@H]1O P46699 [1,0,0,1,0,0|1,0,0]=3 773 B6R1.4 N[C@@H]1CC[C@H]1O P46700 [1,0,0,1,0,0|1,0,0]=3 774 B6R1.4 N[C@@H]1CC[C@H]1O P47798 [1,0,0,1,0,0|1,0,0]=3 775 B6R1.4 N[C@H]1CC[C@@H]1O O33030 [1,0,0,1,0,0|1,0,0]=3 776 B6R1.4 N[C@H]1CC[C@@H]1O P46969 [1,0,0,1,0,0|1,0,0]=3 777 B6R1.4 N[C@H]1CC[C@H]1O P45237 [1,0,0,1,0,0|1,0,0]=3 778 B6R1.4 N[C@H]1CC[C@H]1O P46397 [1,0,0,1,0,0|1,0,0]=3 779 B6R1.4 O=C1CCC1O P47312 [1,0,0,1,0,0|1,0,1]=4 780 B6R1.4 OC1CCC1F P46352 [1,0,0,1,0,0|1,0,0]=3 781 B6R1.4 OC1CCC1O P50009 [1,0,0,1,0,0|1,0,0]=3 782 B6R1.4 O[C@@H]1CC[C@H]1O P45708 [1,0,0,1,0,0|1,0,0]=3 783 B6R1.4 O[C@H]1CC[C@H]1O P45709 [1,0,0,1,0,0|1,0,0]=3 784 B6R1.6 BrCC1CCO1 F-4066 [1,0,0,1,0,0|1,0,0]=3 785 B6R1.6 BrCC1CNC1 P50070 [1,0,0,1,0,0|2,0,0]=4 786 B6R1.6 BrCC1COC1 L21563 [1,0,0,1,0,0|2,0,0]=4 787 B6R1.6 C#CC1CCC1 P45543 [1,0,0,1,0,0|1,0,1]=4 788 B6R1.6 C#CC1CCO1 Q62777 [1,0,0,1,0,0|0,0,2]=4 789 B6R1.6 CCC1CCN1 P47056 [1,0,0,1,0,0|1,0,0]=3 790 B6R1.6 CCC1CCN1 P48764 [1,0,0,1,0,0|1,0,0]=3 791 B6R1.6 CCC1CNC1 P45196 [1,0,0,1,0,0|2,0,0]=4 792 B6R1.6 CCC1CNC1 P47098 [1,0,0,1,0,0|2,0,0]=4 793 B6R1.6 CNC1CCC1 O34360 [1,0,0,1,0,0|2,0,0]=4 794 B6R1.6 CNC1CCC1 P45733 [1,0,0,1,0,0|2,0,0]=4 795 B6R1.6 ClCC1CCC1 M23070 [1,0,0,1,0,0|1,0,0]=3 796 B6R1.6 ClCC1CNC1 P50271 [1,0,0,1,0,0|2,0,0]=4 797 B6R1.6 ClCC1COC1 P45001 [1,0,0,1,0,0|2,0,0]=4 798 B6R1.6 FCC1CCN1 P47490 [1,0,0,1,0,0|2,0,0]=4 799 B6R1.6 FCC1CNC1 O32400 [1,0,0,1,0,0|2,0,0]=4 800 B6R1.6 FCC1CNC1 O32401 [1,0,0,1,0,0|2,0,0]=4 801 B6R1.6 FC[C@@H]1CCN1 P45171 [1,0,0,1,0,0|2,0,0]=4 802 B6R1.6 FC[C@H]1CCN1 P47579 [1,0,0,1,0,0|2,0,0]=4 803 B6R1.6 ICC1CCC1 H-8778 [1,0,0,1,0,0|1,0,0]=3 804 B6R1.6 ICC1CCO1 G-7249 [1,0,0,1,0,0|1,0,0]=3 805 B6R1.6 ICC1COC1 G-5215 [1,0,0,1,0,0|2,0,0]=4 806 B6R1.6 N#CC1CCC1 G-7033 [1,0,0,1,0,0|1,0,1]=4 807 B6R1.6 NCC1CCC1 C-2308 [1,0,0,1,0,0|1,0,0]=3 808 B6R1.6 NCC1CCC1 L13986 [1,0,0,1,0,0|1,0,0]=3 809 B6R1.6 NCC1CCN1 G-5892 [1,0,0,1,0,0|2,0,0]=4 810 B6R1.6 NCC1CCN1 P49927 [1,0,0,1,0,0|2,0,0]=4 811 B6R1.6 NCC1CCO1 F-4044 [1,0,0,1,0,0|1,0,0]=3 812 B6R1.6 NCC1CCS1 Q58811 [1,0,0,1,0,0|1,1,0]=4 813 B6R1.6 NCC1CNC1 P39611 [1,0,0,1,0,0|2,0,0]=4 814 B6R1.6 NCC1CNC1 P49682 [1,0,0,1,0,0|2,0,0]=4 815 B6R1.6 NCC1COC1 C-2244 [1,0,0,1,0,0|2,0,0]=4 816 B6R1.6 NCC1COC1 L21567 [1,0,0,1,0,0|2,0,0]=4 817 B6R1.6 NCC1CSC1 G-7410 [1,0,0,1,0,0|2,0,0]=4 818 B6R1.6 NCC1CSC1 H-8020 [1,0,0,1,0,0|2,0,0]=4 819 B6R1.6 NC[C@@H]1CCO1 Q56226 [1,0,0,1,0,0|1,0,0]=3 820 B6R1.6 NC[C@H]1CCO1 Q64388 [1,0,0,1,0,0|1,0,0]=3 821 B6R1.6 NNC1CCC1 O30528 [1,0,0,1,0,0|2,0,0]=4 822 B6R1.6 NNC1CCC1 O31125 [1,0,0,1,0,0|2,0,0]=4 823 B6R1.6 NNC1CCC1 P44553 [1,0,0,1,0,0|2,0,0]=4 824 B6R1.6 OCC1CCN1 G-7151 [1,0,0,1,0,0|1,0,0]=3 825 B6R1.6 OCC1CCO1 F-4043 [1,0,0,1,0,0|1,0,0]=3 826 B6R1.6 OCC1CNC1 A-421 [1,0,0,1,0,0|1,0,0]=3 827 B6R1.6 OCC1CNC1 L14018 [1,0,0,1,0,0|1,0,0]=3 828 B6R1.6 OCC1COC1 C-2291 [1,0,0,1,0,0|1,0,0]=3 829 B6R1.6 OCC1CSC1 H-8021 [1,0,0,1,0,0|1,0,0]=3 830 B6R1.6 OC[C@@H]1CCN1 B-1106 [1,0,0,1,0,0|1,0,0]=3 831 B6R1.6 OC[C@@H]1CCN1 P36030 [1,0,0,1,0,0|1,0,0]=3 832 B6R1.6 OC[C@@H]1CCO1 Q56225 [1,0,0,1,0,0|1,0,0]=3 833 B6R1.6 OC[C@H]1CCN1 B-1105 [1,0,0,1,0,0|1,0,0]=3 834 B6R1.6 OC[C@H]1CCN1 P35007 [1,0,0,1,0,0|1,0,0]=3 835 B6R1.6 OC[C@H]1CCO1 Q53294 [1,0,0,1,0,0|1,0,0]=3 836 B6R1.6 ON=C1CCC1 P45801 [1,0,0,1,0,0|1,0,1]=4 837 B6R1.6 SCC1CNC1 P46721 [1,0,0,1,0,0|1,1,0]=4 838 B6R1.7 C#CC1(C)CC1 K12431 [1,0,0,1,0,0|0,0,2]=4 839 B6R1.7 CC1(C#N)CC1 K12466 [1,0,0,1,0,0|1,0,1]=4 840 B6R1.7 CC1(CN)CC1 P51452 [1,0,0,1,0,0|1,0,0]=3 841 B6R1.7 CC1(CO)CC1 L14025 [1,0,0,1,0,0|0,0,0]=2 842 B6R1.7 CCC1(N)CC1 L14212 [1,0,0,1,0,0|1,0,0]=3 843 B6R1.7 C[C@@]1(CO)CO1 Q55273 [1,0,0,1,0,0|1,0,0]=3 844 B6R1.7 NC1(CO)CC1 G-6370 [1,0,0,1,0,0|1,0,0]=3 845 B6R1.7 NC1(CO)CC1 I-9535 [1,0,0,1,0,0|1,0,0]=3 846 B6R1.7 NCC1(F)CC1 Q56224 [1,0,0,1,0,0|2,0,0]=4 847 B6R1.7 NCC1(O)CC1 F-4842 [1,0,0,1,0,0|2,0,0]=4 848 B8R1.1 CC1CC(CO)CN1 Q61629 [0,1,0,1,0,0|1,0,0]=3 849 B8R1.1 CCC1CCC(C)N1 Q59319 [0,1,0,1,0,0|1,0,0]=3 850 B8R1.1 CCN1CCC(N)C1 L21975 [0,1,0,1,0,0|2,0,0]=4 851 B8R1.1 CCN1CCC(N)C1 O30179 [0,1,0,1,0,0|2,0,0]=4 852 B8R1.1 CCN1CC[C@@H](N)C1 L21955 [0,1,0,1,0,0|2,0,0]=4 853 B8R1.1 CCN1CC[C@H](N)C1 L21974 [0,1,0,1,0,0|2,0,0]=4 854 B8R1.1 CN1CCC(CO)C1 O34373 [0,1,0,1,0,0|1,0,0]=3 855 B8R1.1 CN1CC[C@@H](CN)C1 I-9757 [0,1,0,1,0,0|2,0,0]=4 856 B8R1.1 CN1CC[C@@H](CN)C1 L14238 [0,1,0,1,0,0|2,0,0]=4 857 B8R1.1 CN1CC[C@@H](CO)C1 G-5013 [0,1,0,1,0,0|1,0,0]=3 858 B8R1.1 CN1CC[C@H](CN)C1 I-9844 [0,1,0,1,0,0|2,0,0]=4 859 B8R1.1 CN1CC[C@H](CO)C1 G-5012 [0,1,0,1,0,0|1,0,0]=3 860 B8R1.1 CNC1CCN(C)C1 G-5265 [0,1,0,1,0,0|2,0,0]=4 861 B8R1.1 CN[C@@H]1CCN(C)C1 I-9892 [0,1,0,1,0,0|2,0,0]=4 862 B8R1.1 CN[C@H]1CCN(C)C1 I-9891 [0,1,0,1,0,0|2,0,0]=4 863 B8R1.1 COC1CCC(N)C1 L22158 [0,1,0,1,0,0|1,0,0]=3 864 B8R1.1 COC1CCC(N)C1 Q52668 [0,1,0,1,0,0|1,0,0]=3 865 B8R1.1 COC1CCC(O)C1 Q57014 [0,1,0,1,0,0|0,0,0]=2 866 B8R1.1 COC1CCN(N)C1 O29317 [0,1,0,1,0,0|2,0,0]=4 867 B8R1.1 CO[C@@H]1C=C[C@@H](O)C1 Q63544 [0,1,0,1,0,0|0,0,2]=4 868 B8R1.1 CO[C@@H]1C=C[C@H](O)C1 Q63542 [0,1,0,1,0,0|0,0,2]=4 869 B8R1.1 CO[C@@H]1CC[C@@H](N)C1 O33204 [0,1,0,1,0,0|1,0,0]=3 870 B8R1.1 CO[C@@H]1CC[C@@H](N)C1 Q64245 [0,1,0,1,0,0|1,0,0]=3 871 B8R1.1 CO[C@@H]1CC[C@@H](O)C1 Q56989 [0,1,0,1,0,0|0,0,0]=2 872 B8R1.1 CO[C@@H]1CC[C@H](N)C1 Q64243 [0,1,0,1,0,0|1,0,0]=3 873 B8R1.1 CO[C@@H]1CC[C@H](N)C1 Q64248 [0,1,0,1,0,0|1,0,0]=3 874 B8R1.1 CO[C@@H]1CC[C@H](O)C1 Q57013 [0,1,0,1,0,0|0,0,0]=2 875 B8R1.1 CO[C@@H]1CN[C@@H](C)C1 Q61885 [0,1,0,1,0,0|1,0,0]=3 876 B8R1.1 CO[C@@H]1CN[C@H](C)C1 Q61884 [0,1,0,1,0,0|1,0,0]=3 877 B8R1.1 CO[C@H]1C=C[C@@H](O)C1 Q63543 [0,1,0,1,0,0|0,0,2]=4 878 B8R1.1 CO[C@H]1C=C[C@H](O)C1 Q63545 [0,1,0,1,0,0|0,0,2]=4 879 B8R1.1 CO[C@H]1CC[C@@H](N)C1 O33413 [0,1,0,1,0,0|1,0,0]=3 880 B8R1.1 CO[C@H]1CC[C@@H](N)C1 Q64247 [0,1,0,1,0,0|1,0,0]=3 881 B8R1.1 CO[C@H]1CC[C@H](N)C1 Q64244 [0,1,0,1,0,0|1,0,0]=3 882 B8R1.1 CO[C@H]1CC[C@H](N)C1 Q64246 [0,1,0,1,0,0|1,0,0]=3 883 B8R1.1 CO[C@H]1CN[C@@H](C)C1 Q61883 [0,1,0,1,0,0|1,0,0]=3 884 B8R1.1 CO[C@H]1CN[C@H](C)C1 Q61886 [0,1,0,1,0,0|1,0,0]=3 885 B8R1.1 C[C@@H]1CC[C@H](CO)N1 Q59341 [0,1,0,1,0,0|0,0,0]=2 886 B8R1.1 C[C@@H]1CN[C@H](CO)C1 Q64749 [0,1,0,1,0,0|1,0,0]=3 887 B8R1.1 C[C@H]1C[C@@H](CO)CN1 Q61880 [0,1,0,1,0,0|1,0,0]=3 888 B8R1.1 C[C@H]1C[C@H](CO)CN1 Q61879 [0,1,0,1,0,0|1,0,0]=3 889 B8R1.1 N#CC1CCC(N)C1 K10849 [0,1,0,1,0,0|1,0,1]=4 890 B8R1.1 N#CC1CCC(N)C1 P50558 [0,1,0,1,0,0|1,0,1]=4 891 B8R1.1 N#CC1CCC(N)C1 Q54476 [0,1,0,1,0,0|1,0,1]=4 892 B8R1.1 N#C[C@@H]1CC[C@H](N)C1 K10963 [0,1,0,1,0,0|1,0,1]=4 893 B8R1.1 N#C[C@H]1C[C@H](O)CN1 Q64935 [0,1,0,1,0,0|1,0,1]=4 894 B8R1.1 NCC1CC(O)CN1 Q59300 [0,1,0,1,0,0|1,0,0]=3 895 B8R1.1 NCC1CCC(F)C1 Q52913 [0,1,0,1,0,0|1,0,0]=3 896 B8R1.1 NC[C@@H]1CC[C@@H](F)C1 Q52915 [0,1,0,1,0,0|1,0,0]=3 897 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 Q57119 [0,1,0,1,0,0|0,0,0]=2 898 B8R1.1 NC[C@@H]1CC[C@H](O)C1 Q57118 [0,1,0,1,0,0|0,0,0]=2 899 B8R1.1 NC[C@H]1CC[C@@H](F)C1 Q52914 [0,1,0,1,0,0|1,0,0]=3 900 B8R1.1 NC[C@H]1CC[C@@H](O)C1 Q57121 [0,1,0,1,0,0|0,0,0]=2 901 B8R1.1 NC[C@H]1CC[C@H](O)C1 Q57120 [0,1,0,1,0,0|0,0,0]=2 902 B8R1.1 O=C1CC(CO)CO1 H-8701 [0,1,0,1,0,0|1,0,1]=4 903 B8R1.1 O=C1CCC(CO)C1 Q62791 [0,1,0,1,0,0|0,0,2]=4 904 B8R1.1 O=C1CCC(CO)N1 M23573 [0,1,0,1,0,0|1,0,1]=4 905 B8R1.1 O=C1CC[C@@H](CBr)C1 Q64130 [0,1,0,1,0,0|0,0,2]=4 906 B8R1.1 O=C1CC[C@@H](CO)C1 Q62794 [0,1,0,1,0,0|0,0,2]=4 907 B8R1.1 O=C1CC[C@@H](CO)O1 K12361 [0,1,0,1,0,0|1,0,1]=4 908 B8R1.1 O=C1CC[C@H](CBr)C1 Q64129 [0,1,0,1,0,0|0,0,2]=4 909 B8R1.1 O=C1CC[C@H](CO)C1 Q62792 [0,1,0,1,0,0|0,0,2]=4 910 B8R1.1 O=CC1CCC(O)C1 Q56985 [0,1,0,1,0,0|0,0,1]=3 911 B8R1.1 OCC1CC(O)CN1 Q59342 [0,1,0,1,0,0|1,0,0]=3 912 B8R1.1 OCC1CCC(F)C1 Q52910 [0,1,0,1,0,0|1,0,0]=3 913 B8R1.1 OC[C@@H]1CC[C@@H](F)C1 Q52912 [0,1,0,1,0,0|1,0,0]=3 914 B8R1.1 OC[C@@H]1C[C@@H](F)CN1 Q61815 [0,1,0,1,0,0|2,0,0]=4 915 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 H-8224 [0,1,0,1,0,0|1,0,0]=3 916 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 L13519 [0,1,0,1,0,0|1,0,0]=3 917 B8R1.1 OC[C@@H]1C[C@H](F)CN1 H-8865 [0,1,0,1,0,0|2,0,0]=4 918 B8R1.1 OC[C@@H]1C[C@H](O)CN1 P48680 [0,1,0,1,0,0|1,0,0]=3 919 B8R1.1 OC[C@H]1CC[C@@H](F)C1 Q52911 [0,1,0,1,0,0|1,0,0]=3 920 B8R1.1 OC[C@H]1C[C@@H](F)CN1 Q61817 [0,1,0,1,0,0|2,0,0]=4 921 B8R1.1 OC[C@H]1C[C@H](F)CN1 Q61816 [0,1,0,1,0,0|2,0,0]=4 922 B8R1.1 OC[C@H]1C[C@H](O)CN1 Q61647 [0,1,0,1,0,0|1,0,0]=3 923 B8R1.4 C=C1CCOC(C)C1 Q54980 [0,1,0,1,0,0|0,0,2]=4 924 B8R1.4 CC1CC(=O)CCN1 D-2514 [0,1,0,1,0,0|0,0,2]=4 925 B8R1.4 CC1CC(=O)CCO1 A-836 [0,1,0,1,0,0|0,0,2]=4 926 B8R1.4 CC1CC(Br)CCO1 Q57805 [0,1,0,1,0,0|1,0,0]=3 927 B8R1.4 CC1CC(N)CCO1 A-878 [0,1,0,1,0,0|1,0,0]=3 928 B8R1.4 CC1CC(O)CCN1 G-7300 [0,1,0,1,0,0|0,0,0]=2 929 B8R1.4 CC1CC(O)CCN1 L21311 [0,1,0,1,0,0|0,0,0]=2 930 B8R1.4 CC1CC(O)CCO1 A-877 [0,1,0,1,0,0|0,0,0]=2 931 B8R1.4 CC1CCNC(=O)C1 L13355 [0,1,0,1,0,0|0,0,2]=4 932 B8R1.4 CC1CNCC(F)C1 Q54411 [0,1,0,1,0,0|1,0,0]=3 933 B8R1.4 CN1CCCC(N)C1 C-3293 [0,1,0,1,0,0|2,0,0]=4 934 B8R1.4 CN1CCCC(O)C1 C-3297 [0,1,0,1,0,0|1,0,0]=3 935 B8R1.4 CN1CCC[C@@H](N)C1 C-2766 [0,1,0,1,0,0|2,0,0]=4 936 B8R1.4 CN1CCC[C@@H](N)C1 I-9583 [0,1,0,1,0,0|2,0,0]=4 937 B8R1.4 CN1CCC[C@@H](O)C1 G-5242 [0,1,0,1,0,0|1,0,0]=3 938 B8R1.4 CN1CCC[C@H](N)C1 C-2767 [0,1,0,1,0,0|2,0,0]=4 939 B8R1.4 CN1CCC[C@H](N)C1 G-5241 [0,1,0,1,0,0|2,0,0]=4 940 B8R1.4 CN1CCC[C@H](O)C1 G-5243 [0,1,0,1,0,0|1,0,0]=3 941 B8R1.4 CN1CCOC(=O)C1 Q54674 [0,1,0,1,0,0|1,0,1]=4 942 B8R1.4 C[C@@H]1CC(=O)CCN1 G-7641 [0,1,0,1,0,0|0,0,2]=4 943 B8R1.4 C[C@@H]1CC(=O)CCO1 H-8404 [0,1,0,1,0,0|0,0,2]=4 944 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65231 [0,1,0,1,0,0|1,0,0]=3 945 B8R1.4 C[C@@H]1CCC[C@@H](C)N1 Q65232 [0,1,0,1,0,0|1,0,0]=3 946 B8R1.4 C[C@@H]1CCC[C@@H](N)C1 P49440 [0,1,0,1,0,0|1,0,0]=3 947 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45249 [0,1,0,1,0,0|0,0,0]=2 948 B8R1.4 C[C@@H]1CCC[C@@H](O)C1 P45891 [0,1,0,1,0,0|0,0,0]=2 949 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P45362 [0,1,0,1,0,0|1,0,0]=3 950 B8R1.4 C[C@@H]1CCC[C@H](N)C1 P49441 [0,1,0,1,0,0|1,0,0]=3 951 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45486 [0,1,0,1,0,0|0,0,0]=2 952 B8R1.4 C[C@@H]1CCC[C@H](O)C1 P45892 [0,1,0,1,0,0|0,0,0]=2 953 B8R1.4 C[C@@H]1CN(C)CCN1 L13059 [0,1,0,1,0,0|2,0,0]=4 954 B8R1.4 C[C@@H]1CN(C)CCN1 O33264 [0,1,0,1,0,0|2,0,0]=4 955 B8R1.4 C[C@@H]1CN(C)CCN1 P51464 [0,1,0,1,0,0|2,0,0]=4 956 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 10039 [0,1,0,1,0,0|2,0,0]=4 957 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 G-7092 [0,1,0,1,0,0|2,0,0]=4 958 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 I-9064 [0,1,0,1,0,0|2,0,0]=4 959 B8R1.4 C[C@@H]1COC[C@@H](C)N1 F-4699 [0,1,0,1,0,0|2,0,0]=4 960 B8R1.4 C[C@@H]1COC[C@@H](C)N1 H-8097 [0,1,0,1,0,0|2,0,0]=4 961 B8R1.4 C[C@@H]1COC[C@@H](C)N1 L21766 [0,1,0,1,0,0|2,0,0]=4 962 B8R1.4 C[C@@H]1C[C@H](F)CCN1 Q63705 [0,1,0,1,0,0|1,0,0]=3 963 B8R1.4 C[C@@H]1C[C@H](N)CCO1 Q61448 [0,1,0,1,0,0|1,0,0]=3 964 B8R1.4 C[C@@H]1C[C@H](O)CCN1 G-6431 [0,1,0,1,0,0|0,0,0]=2 965 B8R1.4 C[C@@H]1C[C@H](O)CCN1 Q56468 [0,1,0,1,0,0|0,0,0]=2 966 B8R1.4 C[C@H]1CC(=O)CCN1 G-6964 [0,1,0,1,0,0|0,0,2]=4 967 B8R1.4 C[C@H]1CC(=O)CCN1 G-7640 [0,1,0,1,0,0|0,0,2]=4 968 B8R1.4 C[C@H]1CC(=O)CCN1 Q61425 [0,1,0,1,0,0|0,0,2]=4 969 B8R1.4 C[C@H]1CC(=O)CCO1 A-837 [0,1,0,1,0,0|0,0,2]=4 970 B8R1.4 C[C@H]1CCC[C@@H](N)C1 P45360 [0,1,0,1,0,0|1,0,0]=3 971 B8R1.4 C[C@H]1CCC[C@@H](O)C1 P45893 [0,1,0,1,0,0|0,0,0]=2 972 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65229 [0,1,0,1,0,0|1,0,0]=3 973 B8R1.4 C[C@H]1CCC[C@H](C)N1 Q65230 [0,1,0,1,0,0|1,0,0]=3 974 B8R1.4 C[C@H]1CCC[C@H](N)C1 P45361 [0,1,0,1,0,0|1,0,0]=3 975 B8R1.4 C[C@H]1CCC[C@H](O)C1 P45546 [0,1,0,1,0,0|0,0,0]=2 976 B8R1.4 C[C@H]1CN(C)CCN1 O34294 [0,1,0,1,0,0|2,0,0]=4 977 B8R1.4 C[C@H]1CNC[C@@H](C)N1 G-5759 [0,1,0,1,0,0|2,0,0]=4 978 B8R1.4 C[C@H]1CNC[C@H](C)N1 G-7093 [0,1,0,1,0,0|2,0,0]=4 979 B8R1.4 C[C@H]1CNC[C@H](C)N1 K12343 [0,1,0,1,0,0|2,0,0]=4 980 B8R1.4 C[C@H]1CNC[C@H](C)O1 G-6092 [0,1,0,1,0,0|2,0,0]=4 981 B8R1.4 C[C@H]1CNC[C@H](C)O1 H-8075 [0,1,0,1,0,0|2,0,0]=4 982 B8R1.4 C[C@H]1COC[C@@H](C)N1 G-7868 [0,1,0,1,0,0|2,0,0]=4 983 B8R1.4 C[C@H]1C[C@@H](F)CCN1 Q63704 [0,1,0,1,0,0|1,0,0]=3 984 B8R1.4 C[C@H]1C[C@@H](O)CCN1 G-6430 [0,1,0,1,0,0|0,0,0]=2 985 B8R1.4 C[C@H]1C[C@@H](O)CCN1 Q56467 [0,1,0,1,0,0|0,0,0]=2 986 B8R1.4 F[C@@H]1CNC[C@@H](F)C1 Q63549 [0,1,0,1,0,0|2,0,0]=4 987 B8R1.4 F[C@@H]1CNC[C@H](F)C1 Q63548 [0,1,0,1,0,0|2,0,0]=4 988 B8R1.4 NC1CCCC(F)C1 P48941 [0,1,0,1,0,0|2,0,0]=4 989 B8R1.4 NC1CCCC(O)C1 F-4485 [0,1,0,1,0,0|1,0,0]=3 990 B8R1.4 NC1CCCC(O)C1 P51354 [0,1,0,1,0,0|1,0,0]=3 991 B8R1.4 NC1COCC(Br)C1 Q54615 [0,1,0,1,0,0|2,0,0]=4 992 B8R1.4 NC1COCC(F)C1 Q61513 [0,1,0,1,0,0|2,0,0]=4 993 B8R1.4 NC1COCC(O)C1 O33183 [0,1,0,1,0,0|1,0,0]=3 994 B8R1.4 NC1COCC(O)C1 Q61082 [0,1,0,1,0,0|1,0,0]=3 995 B8R1.4 N[C@@H]1CCC[C@@H](N)C1 P45856 [0,1,0,1,0,0|2,0,0]=4 996 B8R1.4 N[C@@H]1CCC[C@@H](N)C1 P50869 [0,1,0,1,0,0|2,0,0]=4 997 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 L14375 [0,1,0,1,0,0|1,0,0]=3 998 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P45284 [0,1,0,1,0,0|1,0,0]=3 999 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 P46977 [0,1,0,1,0,0|1,0,0]=3 1000 B8R1.4 N[C@@H]1CCC[C@H](O)C1 P44060 [0,1,0,1,0,0|1,0,0]=3 1001 B8R1.4 N[C@@H]1COC[C@@H](N)C1 Q61081 [0,1,0,1,0,0|2,0,0]=4 1002 B8R1.4 N[C@@H]1COC[C@@H](O)C1 Q54626 [0,1,0,1,0,0|1,0,0]=3 1003 B8R1.4 N[C@@H]1COC[C@H](N)C1 Q61080 [0,1,0,1,0,0|2,0,0]=4 1004 B8R1.4 N[C@@H]1COC[C@H](O)C1 Q54624 [0,1,0,1,0,0|1,0,0]=3 1005 B8R1.4 N[C@@H]1COC[C@H](O)C1 Q54625 [0,1,0,1,0,0|1,0,0]=3 1006 B8R1.4 N[C@H]1CCC[C@@H](F)C1 P48942 [0,1,0,1,0,0|2,0,0]=4 1007 B8R1.4 N[C@H]1CCC[C@@H](F)C1 P50330 [0,1,0,1,0,0|2,0,0]=4 1008 B8R1.4 N[C@H]1CCC[C@@H](N)C1 L14628 [0,1,0,1,0,0|2,0,0]=4 1009 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P45859 [0,1,0,1,0,0|2,0,0]=4 1010 B8R1.4 N[C@H]1CCC[C@@H](N)C1 P48039 [0,1,0,1,0,0|2,0,0]=4 1011 B8R1.4 N[C@H]1CCC[C@@H](O)C1 K10840 [0,1,0,1,0,0|1,0,0]=3 1012 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P44061 [0,1,0,1,0,0|1,0,0]=3 1013 B8R1.4 N[C@H]1CCC[C@@H](O)C1 P45304 [0,1,0,1,0,0|1,0,0]=3 1014 B8R1.4 N[C@H]1CCC[C@H](F)C1 P46535 [0,1,0,1,0,0|2,0,0]=4 1015 B8R1.4 N[C@H]1CCC[C@H](N)C1 L18352 [0,1,0,1,0,0|2,0,0]=4 1016 B8R1.4 N[C@H]1CCC[C@H](O)C1 O33050 [0,1,0,1,0,0|1,0,0]=3 1017 B8R1.4 N[C@H]1CCC[C@H](O)C1 P45649 [0,1,0,1,0,0|1,0,0]=3 1018 B8R1.4 N[C@H]1COC[C@@H](O)C1 Q54628 [0,1,0,1,0,0|1,0,0]=3 1019 B8R1.4 N[C@H]1COC[C@H](O)C1 Q54627 [0,1,0,1,0,0|1,0,0]=3 1020 B8R1.4 O=C1CCCC(O)C1 L18346 [0,1,0,1,0,0|1,0,1]=4 1021 B8R1.4 O=C1CCC[C@H](O)C1 P47405 [0,1,0,1,0,0|1,0,1]=4 1022 B8R1.4 O=C1COCC(O)C1 Q54616 [0,1,0,1,0,0|1,0,1]=4 1023 B8R1.4 OC1COCC(F)C1 Q54619 [0,1,0,1,0,0|1,0,0]=3 1024 B8R1.4 OC1COCC(O)C1 Q54618 [0,1,0,1,0,0|1,0,0]=3 1025 B8R1.4 O[C@@H]1CNC[C@H](O)C1 Q61083 [0,1,0,1,0,0|1,0,0]=3 1026 B8R1.4 O[C@H]1CNC[C@H](O)C1 Q61084 [0,1,0,1,0,0|1,0,0]=3 1027 B8R1.18 CN1CC(O)CC1=O Q59318 [0,1,0,1,0,0|1,0,1]=4 1028 B8R1.18 CN1C[C@H](N)[C@H](O)C1 L22266 [0,1,0,1,0,0|1,0,0]=3 1029 B8R1.20 CC1CC1CC(=O)O O29360 [0,1,0,1,0,0|0,0,1]=3 1030 B8R1.29 OC1CC(F)(F)C1F P46121 [0,1,0,1,0,0|2,0,0]=4 1031 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C P50610 [0,1,0,1,0,0|0,0,2]=4 1032 B8R1.31 CC(=O)[C@H]1CC[C@H]1C P45662 [0,1,0,1,0,0|0,0,2]=4 1033 B8R1.31 CC(O)C1CCC1F P45994 [0,1,0,1,0,0|1,0,0]=3 1034 B8R1.31 CC1CCC1C(=O)O P45629 [0,1,0,1,0,0|0,0,1]=3 1035 B8R1.31 CC1NCC1C(=O)O L22133 [0,1,0,1,0,0|1,0,1]=4 1036 B8R1.31 CN1CCC1C(=O)O P49637 [0,1,0,1,0,0|1,0,1]=4 1037 B8R1.31 CN1CC[C@@H]1C(=O)O H-8820 [0,1,0,1,0,0|1,0,1]=4 1038 B8R1.31 CN1CC[C@H]1C(=O)O H-8821 [0,1,0,1,0,0|1,0,1]=4 1039 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O L14485 [0,1,0,1,0,0|1,0,1]=4 1040 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O P50093 [0,1,0,1,0,0|1,0,1]=4 1041 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O K13449 [0,1,0,1,0,0|1,0,1]=4 1042 B8R1.31 NC1CCC1C(=O)O P47809 [0,1,0,1,0,0|1,0,1]=4 1043 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O P45363 [0,1,0,1,0,0|1,0,1]=4 1044 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O L13901 [0,1,0,1,0,0|1,0,1]=4 1045 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P44744 [0,1,0,1,0,0|1,0,1]=4 1046 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O P45102 [0,1,0,1,0,0|1,0,1]=4 1047 B8R1.31 N[C@H]1CC[C@H]1C(=O)O L21391 [0,1,0,1,0,0|1,0,1]=4 1048 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P45103 [0,1,0,1,0,0|1,0,1]=4 1049 B8R1.31 N[C@H]1CC[C@H]1C(=O)O Q53487 [0,1,0,1,0,0|1,0,1]=4 1050 B8R1.31 O=C(O)C1CCC1F P47126 [0,1,0,1,0,0|1,0,1]=4 1051 B8R1.31 O=C(O)C1CCC1O P49194 [0,1,0,1,0,0|1,0,1]=4 1052 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O P48368 [0,1,0,1,0,0|1,0,1]=4 1053 B8R1.34 CC(=O)CC1CCC1 P48892 [0,1,0,1,0,0|0,0,2]=4 1054 B8R1.34 CC(C)CC1CNC1 P44917 [0,1,0,1,0,0|2,0,0]=4 1055 B8R1.34 CC(C)NC1CCC1 P48786 [0,1,0,1,0,0|2,0,0]=4 1056 B8R1.34 CC(C)NC1CCC1 P49134 [0,1,0,1,0,0|2,0,0]=4 1057 B8R1.34 CC(O)CN1CCC1 P47869 [0,1,0,1,0,0|1,0,0]=3 1058 B8R1.34 FC(F)CC1CNC1 P46689 [0,1,0,1,0,0|2,0,0]=4 1059 B8R1.34 FC(F)CC1CNC1 P46695 [0,1,0,1,0,0|2,0,0]=4 1060 B8R1.34 N=C(N)CC1CCC1 P48135 [0,1,0,1,0,0|1,0,1]=4 1061 B8R1.34 O=C(O)CC1CCC1 P44572 [0,1,0,1,0,0|0,0,1]=3 1062 B8R1.34 O=C(O)CC1CCN1 P44826 [0,1,0,1,0,0|1,0,1]=4 1063 B8R1.34 O=C(O)CC1CCO1 F-4762 [0,1,0,1,0,0|1,0,1]=4 1064 B8R1.34 O=C(O)CC1CNC1 G-7532 [0,1,0,1,0,0|1,0,1]=4 1065 B8R1.34 O=C(O)CC1CNC1 M22650 [0,1,0,1,0,0|1,0,1]=4 1066 B8R1.34 O=C(O)CC1CNC1 P46867 [0,1,0,1,0,0|1,0,1]=4 1067 B8R1.34 O=C(O)CC1COC1 F-4181 [0,1,0,1,0,0|1,0,1]=4 1068 B8R1.34 O=C(O)CN1CCC1 H-8105 [0,1,0,1,0,0|1,0,1]=4 1069 B8R1.34 O=C(O)C[C@@H]1CCO1 Q56144 [0,1,0,1,0,0|1,0,1]=4 1070 B8R1.34 O=C(O)C[C@H]1CCO1 Q56143 [0,1,0,1,0,0|1,0,1]=4 1071 B8R1.43 NCC1CC1C(=O)O Q52566 [0,1,0,1,0,0|1,0,1]=4 1072 B8R1.51 CC1(C)CC(O)CN1 L22151 [0,1,0,1,0,0|1,0,0]=3 1073 B8R1.51 CC1(C)CCC(=O)C1 L21292 [0,1,0,1,0,0|0,0,2]=4 1074 B8R1.51 CC1(O)CCC(N)C1 P50831 [0,1,0,1,0,0|1,0,0]=3 1075 B8R1.51 CC1(O)CCC(N)C1 Q56519 [0,1,0,1,0,0|1,0,0]=3 1076 B8R1.51 CC1CC(C)(C)CN1 Q57412 [0,1,0,1,0,0|2,0,0]=4 1077 B8R1.51 C[C@]1(O)CC[C@@H](N)C1 Q56976 [0,1,0,1,0,0|1,0,0]=3 1078 B8R1.51 FC1(F)CCC(Br)C1 Q55048 [0,1,0,1,0,0|2,0,0]=4 1079 B8R1.51 NC1CCC(F)(F)C1 C-2904 [0,1,0,1,0,0|2,0,0]=4 1080 B8R1.51 NC1CCC(F)(F)C1 G-6040 [0,1,0,1,0,0|2,0,0]=4 1081 B8R1.51 N[C@@H]1CCC(F)(F)C1 I-9798 [0,1,0,1,0,0|2,0,0]=4 1082 B8R1.51 N[C@H]1CCC(F)(F)C1 G-7995 [0,1,0,1,0,0|2,0,0]=4 1083 B8R1.51 O=S1(=O)CCC(O)C1 P41760 [0,1,0,1,0,0|2,0,0]=4 1084 B8R1.51 OC1CCC(F)(F)C1 K12083 [0,1,0,1,0,0|1,0,0]=3 1085 B8R1.51 O[C@@H]1CCC(F)(F)C1 Q55062 [0,1,0,1,0,0|1,0,0]=3 1086 B8R1.51 O[C@H]1CCC(F)(F)C1 Q55061 [0,1,0,1,0,0|1,0,0]=3 1087 B8R1.53 CC1(C)CC(CBr)C1 L21479 [0,1,0,1,0,0|2,0,0]=4 1088 B8R1.53 CC1(C)CC(CN)C1 L13111 [0,1,0,1,0,0|2,0,0]=4 1089 B8R1.53 CC1(C)CC(CN)C1 P43805 [0,1,0,1,0,0|2,0,0]=4 1090 B8R1.53 CC1(C)CC(CO)C1 L13723 [0,1,0,1,0,0|2,0,0]=4 1091 B8R1.53 CC1(O)CC(CN)C1 P43903 [0,1,0,1,0,0|1,0,0]=3 1092 B8R1.53 CC1(O)CC(CN)C1 P45971 [0,1,0,1,0,0|1,0,0]=3 1093 B8R1.53 CNC1CC(F)(F)C1 P48123 [0,1,0,1,0,0|2,0,0]=4 1094 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 L13403 [0,1,0,1,0,0|1,0,0]=3 1095 B8R1.53 C[C@]1(O)C[C@H](CN)C1 G-7983 [0,1,0,1,0,0|1,0,0]=3 1096 B8R1.53 C[C@]1(O)C[C@H](CN)C1 P50097 [0,1,0,1,0,0|1,0,0]=3 1097 B8R1.53 FC1(F)CC(CBr)C1 G-6941 [0,1,0,1,0,0|2,0,0]=4 1098 B8R1.53 FC1(F)CC(CCl)C1 O33358 [0,1,0,1,0,0|2,0,0]=4 1099 B8R1.53 FC1(F)CC(CI)C1 L18522 [0,1,0,1,0,0|2,0,0]=4 1100 B8R1.53 NCC1CC(F)(F)C1 C-2313 [0,1,0,1,0,0|2,0,0]=4 1101 B8R1.53 NCC1CC(F)(F)C1 C-2313-1 [0,1,0,1,0,0|2,0,0]=4 1102 B8R1.53 OCC1CC(F)(F)C1 C-2312 [0,1,0,1,0,0|2,0,0]=4 1103 B8R1.62 C[C@]1(CO)C[C@@H](N)C1 P50499 [0,1,0,1,0,0|2,0,0]=4 1104 B8R1.62 N#CC1(F)CC(O)C1 P49315 [0,1,0,1,0,0|1,0,1]=4 1105 B8R1.62 NC1(CO)CC(F)C1 L13221 [0,1,0,1,0,0|2,0,0]=4 1106 B8R1.62 NC1(CO)CC(F)C1 P43942 [0,1,0,1,0,0|2,0,0]=4 1107 B8R1.62 NCC1(O)CC(F)C1 P45999 [0,1,0,1,0,0|2,0,0]=4 1108 B8R1.62 NCC1(O)CC(O)C1 P46039 [0,1,0,1,0,0|1,0,0]=3 1109 B8R1.2 BrCC1=CCOCC1 Q54593 [0,1,0,1,0,0|0,0,2]=4 1110 B8R1.2 BrCC1CCCNC1 Q55055 [0,1,0,1,0,0|2,0,0]=4 1111 B8R1.2 BrCC1CCCOC1 G-6343 [0,1,0,1,0,0|1,0,0]=3 1112 B8R1.2 BrCC1CCNCC1 L21509 [0,1,0,1,0,0|1,0,0]=3 1113 B8R1.2 BrCC1CCOCC1 G-5150 [0,1,0,1,0,0|0,0,0]=2 1114 B8R1.2 BrCC1CCSCC1 O29933 [0,1,0,1,0,0|0,1,0]=3 1115 B8R1.2 BrC[C@@H]1CCCNC1 Q55056 [0,1,0,1,0,0|2,0,0]=4 1116 B8R1.2 BrC[C@@H]1CCCOC1 Q62734 [0,1,0,1,0,0|1,0,0]=3 1117 B8R1.2 BrC[C@H]1CCCNC1 Q55057 [0,1,0,1,0,0|2,0,0]=4 1118 B8R1.2 BrC[C@H]1CCCOC1 Q62735 [0,1,0,1,0,0|1,0,0]=3 1119 B8R1.2 C#CC1CCCOC1 Q56322 [0,1,0,1,0,0|0,0,2]=4 1120 B8R1.2 C#CC1CCNCC1 I-9267 [0,1,0,1,0,0|1,0,1]=4 1121 B8R1.2 C#CC1CCNCC1 Q56307 [0,1,0,1,0,0|1,0,1]=4 1122 B8R1.2 C#CC1CCOCC1 C-3588 [0,1,0,1,0,0|0,0,1]=3 1123 B8R1.2 C#CC1CCSCC1 O32975 [0,1,0,1,0,0|0,1,1]=4 1124 B8R1.2 C=CC1CCOCC1 Q57821 [0,1,0,1,0,0|0,0,1]=3 1125 B8R1.2 CCC1CCNCC1 P41021 [0,1,0,1,0,0|1,0,0]=3 1126 B8R1.2 CCC1CNCCO1 B-1069 [0,1,0,1,0,0|1,0,0]=3 1127 B8R1.2 CCC1COCCN1 B-1066 [0,1,0,1,0,0|0,0,0]=2 1128 B8R1.2 CC[C@@H]1CCCCN1 Q54717 [0,1,0,1,0,0|1,0,0]=3 1129 B8R1.2 CC[C@@H]1CCCNC1 Q61422 [0,1,0,1,0,0|1,0,0]=3 1130 B8R1.2 CC[C@@H]1CNCCO1 B-1071 [0,1,0,1,0,0|1,0,0]=3 1131 B8R1.2 CC[C@@H]1COCCN1 B-1064 [0,1,0,1,0,0|0,0,0]=2 1132 B8R1.2 CC[C@H]1CCCNC1 Q61421 [0,1,0,1,0,0|1,0,0]=3 1133 B8R1.2 CC[C@H]1CNCCO1 B-1070 [0,1,0,1,0,0|1,0,0]=3 1134 B8R1.2 CC[C@H]1COCCN1 B-1065 [0,1,0,1,0,0|0,0,0]=2 1135 B8R1.2 CNC1CCCNC1 K10899 [0,1,0,1,0,0|2,0,0]=4 1136 B8R1.2 CNC1CCCSC1 Q57932 [0,1,0,1,0,0|1,1,0]=4 1137 B8R1.2 CNC1CCCSC1 Q57933 [0,1,0,1,0,0|1,1,0]=4 1138 B8R1.2 CNC1CCNCC1 L21525 [0,1,0,1,0,0|1,0,0]=3 1139 B8R1.2 CNC1CCOCC1 G-5151 [0,1,0,1,0,0|0,0,0]=2 1140 B8R1.2 CN[C@@H]1CCCOC1 Q55431 [0,1,0,1,0,0|1,0,0]=3 1141 B8R1.2 CN[C@H]1CCCOC1 Q55432 [0,1,0,1,0,0|1,0,0]=3 1142 B8R1.2 COC1=CCOCC1 G-7495 [0,1,0,1,0,0|0,0,2]=4 1143 B8R1.2 COC1CCCNC1 C-3504 [0,1,0,1,0,0|2,0,0]=4 1144 B8R1.2 COC1CCCNC1 M22805 [0,1,0,1,0,0|2,0,0]=4 1145 B8R1.2 COC1CCNCC1 C-2394 [0,1,0,1,0,0|1,0,0]=3 1146 B8R1.2 COC1CCNCC1 C-3203 [0,1,0,1,0,0|1,0,0]=3 1147 B8R1.2 CON1CCNCC1 H-8599 [0,1,0,1,0,0|2,0,0]=4 1148 B8R1.2 CO[C@@H]1CCCNC1 G-7538 [0,1,0,1,0,0|2,0,0]=4 1149 B8R1.2 CO[C@@H]1CCCNC1 L13637 [0,1,0,1,0,0|2,0,0]=4 1150 B8R1.2 CO[C@H]1CCCNC1 G-5239 [0,1,0,1,0,0|2,0,0]=4 1151 B8R1.2 CO[C@H]1CCCNC1 L21633 [0,1,0,1,0,0|2,0,0]=4 1152 B8R1.2 CSC1CCCNC1 H-8554 [0,1,0,1,0,0|2,0,0]=4 1153 B8R1.2 CSC1CCNCC1 C-2200 [0,1,0,1,0,0|1,0,0]=3 1154 B8R1.2 ClCC1CCNCC1 L21584 [0,1,0,1,0,0|1,0,0]=3 1155 B8R1.2 FCC1CCCCN1 Q52081 [0,1,0,1,0,0|2,0,0]=4 1156 B8R1.2 FCC1CCCNC1 M23801 [0,1,0,1,0,0|2,0,0]=4 1157 B8R1.2 FCC1CCNCC1 L13946 [0,1,0,1,0,0|1,0,0]=3 1158 B8R1.2 FC[C@@H]1CCCCN1 Q52082 [0,1,0,1,0,0|2,0,0]=4 1159 B8R1.2 FC[C@@H]1CCCNC1 Q65004 [0,1,0,1,0,0|2,0,0]=4 1160 B8R1.2 FC[C@H]1CCCCN1 Q52083 [0,1,0,1,0,0|2,0,0]=4 1161 B8R1.2 FC[C@H]1CCCNC1 Q65002 [0,1,0,1,0,0|2,0,0]=4 1162 B8R1.2 ICC1CCOCC1 C-3412 [0,1,0,1,0,0|0,0,0]=2 1163 B8R1.2 N#CC1CCCCC1 P45205 [0,1,0,1,0,0|1,0,1]=4 1164 B8R1.2 N#CC1CCCOC1 Q54972 [0,1,0,1,0,0|1,0,1]=4 1165 B8R1.2 N#CC1CCNCC1 A-123 [0,1,0,1,0,0|1,0,1]=4 1166 B8R1.2 N#CC1CCOCC1 C-3419 [0,1,0,1,0,0|0,0,1]=3 1167 B8R1.2 N#CC1CCSCC1 L14051 [0,1,0,1,0,0|0,1,1]=4 1168 B8R1.2 NCC1=CCOCC1 Q54594 [0,1,0,1,0,0|0,0,2]=4 1169 B8R1.2 NCC1CC=CCC1 P39320 [0,1,0,1,0,0|1,0,1]=4 1170 B8R1.2 NCC1CCCCS1 Q57980 [0,1,0,1,0,0|2,0,0]=4 1171 B8R1.2 NCC1CCCOC1 L21850 [0,1,0,1,0,0|1,0,0]=3 1172 B8R1.2 NCC1CCCSC1 Q57994 [0,1,0,1,0,0|1,1,0]=4 1173 B8R1.2 NCC1CCOCC1 C-3413 [0,1,0,1,0,0|0,0,0]=2 1174 B8R1.2 NCC1CCSCC1 I-9299 [0,1,0,1,0,0|0,1,0]=3 1175 B8R1.2 NCC1CCSCC1 O30354 [0,1,0,1,0,0|0,1,0]=3 1176 B8R1.2 NCC1CNCCO1 P42498 [0,1,0,1,0,0|2,0,0]=4 1177 B8R1.2 NCC1COCCO1 O34357 [0,1,0,1,0,0|1,0,0]=3 1178 B8R1.2 NC[C@@H]1CCCCO1 Q62567 [0,1,0,1,0,0|2,0,0]=4 1179 B8R1.2 NC[C@@H]1CCCOC1 L18118 [0,1,0,1,0,0|1,0,0]=3 1180 B8R1.2 NC[C@@H]1CCCOC1 Q56432 [0,1,0,1,0,0|1,0,0]=3 1181 B8R1.2 NC[C@@H]1COCCO1 I-9071 [0,1,0,1,0,0|1,0,0]=3 1182 B8R1.2 NC[C@H]1CCCCO1 Q62568 [0,1,0,1,0,0|2,0,0]=4 1183 B8R1.2 NC[C@H]1CCCOC1 L18117 [0,1,0,1,0,0|1,0,0]=3 1184 B8R1.2 NC[C@H]1CCCOC1 Q56431 [0,1,0,1,0,0|1,0,0]=3 1185 B8R1.2 NC[C@H]1COCCO1 I-9072 [0,1,0,1,0,0|1,0,0]=3 1186 B8R1.2 NNC1CCCOC1 Q52422 [0,1,0,1,0,0|2,0,0]=4 1187 B8R1.2 NNC1CCCOC1 Q52423 [0,1,0,1,0,0|2,0,0]=4 1188 B8R1.2 NNC1CCNCC1 O29960 [0,1,0,1,0,0|2,0,0]=4 1189 B8R1.2 NNC1CCNCC1 O31367 [0,1,0,1,0,0|2,0,0]=4 1190 B8R1.2 NNC1CCNCC1 Q57490 [0,1,0,1,0,0|2,0,0]=4 1191 B8R1.2 NNC1CCOCC1 C-3567 [0,1,0,1,0,0|1,0,0]=3 1192 B8R1.2 NNC1CCOCC1 O31822 [0,1,0,1,0,0|1,0,0]=3 1193 B8R1.2 NNC1CCOCC1 Q62217 [0,1,0,1,0,0|1,0,0]=3 1194 B8R1.2 NNC1CCSCC1 O31250 [0,1,0,1,0,0|1,1,0]=4 1195 B8R1.2 NOC1CCOCC1 Q57828 [0,1,0,1,0,0|1,0,0]=3 1196 B8R1.2 O=CC1CCNCC1 O30562 [0,1,0,1,0,0|1,0,1]=4 1197 B8R1.2 O=CC1CCOCC1 C-3265 [0,1,0,1,0,0|0,0,1]=3 1198 B8R1.2 O=CC1CCSCC1 O32574 [0,1,0,1,0,0|0,1,1]=4 1199 B8R1.2 OCC1=CCOCC1 Q54592 [0,1,0,1,0,0|0,0,2]=4 1200 B8R1.2 OCC1CCCCS1 Q57888 [0,1,0,1,0,0|2,0,0]=4 1201 B8R1.2 OCC1CCCOC1 F-4498 [0,1,0,1,0,0|1,0,0]=3 1202 B8R1.2 OCC1CCCSC1 Q57993 [0,1,0,1,0,0|1,1,0]=4 1203 B8R1.2 OCC1CCOCC1 C-3562 [0,1,0,1,0,0|0,0,0]=2 1204 B8R1.2 OCC1CCSCC1 O31147 [0,1,0,1,0,0|0,1,0]=3 1205 B8R1.2 OCC1CNCCO1 B-1078 [0,1,0,1,0,0|2,0,0]=4 1206 B8R1.2 OCC1COCCN1 B-1087 [0,1,0,1,0,0|1,0,0]=3 1207 B8R1.2 OCC1COCCO1 K16125 [0,1,0,1,0,0|1,0,0]=3 1208 B8R1.2 OC[C@@H]1CCCCN1 M23455 [0,1,0,1,0,0|2,0,0]=4 1209 B8R1.2 OC[C@@H]1CCCCO1 F-4789 [0,1,0,1,0,0|2,0,0]=4 1210 B8R1.2 OC[C@@H]1CCCNC1 P44488 [0,1,0,1,0,0|2,0,0]=4 1211 B8R1.2 OC[C@@H]1CCCOC1 P43927 [0,1,0,1,0,0|1,0,0]=3 1212 B8R1.2 OC[C@@H]1CNCCN1 B-1173 [0,1,0,1,0,0|2,0,0]=4 1213 B8R1.2 OC[C@@H]1CNCCO1 B-1080 [0,1,0,1,0,0|2,0,0]=4 1214 B8R1.2 OC[C@@H]1COCCN1 B-1089 [0,1,0,1,0,0|1,0,0]=3 1215 B8R1.2 OC[C@@H]1COCCO1 O34308 [0,1,0,1,0,0|1,0,0]=3 1216 B8R1.2 OC[C@H]1CCCCN1 M23615 [0,1,0,1,0,0|2,0,0]=4 1217 B8R1.2 OC[C@H]1CCCCO1 P43928 [0,1,0,1,0,0|2,0,0]=4 1218 B8R1.2 OC[C@H]1CCCNC1 O31559 [0,1,0,1,0,0|2,0,0]=4 1219 B8R1.2 OC[C@H]1CCCNC1 P41232 [0,1,0,1,0,0|2,0,0]=4 1220 B8R1.2 OC[C@H]1CCCOC1 P43926 [0,1,0,1,0,0|1,0,0]=3 1221 B8R1.2 OC[C@H]1CNCCO1 B-1079 [0,1,0,1,0,0|2,0,0]=4 1222 B8R1.2 OC[C@H]1COCCN1 B-1088 [0,1,0,1,0,0|1,0,0]=3 1223 B8R1.2 OC[C@H]1COCCO1 O34310 [0,1,0,1,0,0|1,0,0]=3 1224 B8R1.3 C=C1CCC(N)CC1 L19013 [0,1,0,1,0,0|2,0,0]=4 1225 B8R1.3 CC1CCC(=O)NC1 L13409 [0,1,0,1,0,0|0,0,2]=4 1226 B8R1.3 CC1CCC(F)CN1 Q64642 [0,1,0,1,0,0|1,0,0]=3 1227 B8R1.3 CC1CCC(O)CN1 Q61256 [0,1,0,1,0,0|0,0,0]=2 1228 B8R1.3 CC1CCC(O)CN1 Q61257 [0,1,0,1,0,0|0,0,0]=2 1229 B8R1.3 CC1COC(C)CN1 P42779 [0,1,0,1,0,0|2,0,0]=4 1230 B8R1.3 CN1CCC(I)CC1 Q65219 [0,1,0,1,0,0|2,0,0]=4 1231 B8R1.3 CN1CCC(N)CC1 G-5240 [0,1,0,1,0,0|2,0,0]=4 1232 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56751 [0,1,0,1,0,0|0,0,2]=4 1233 B8R1.3 C[C@@H]1CCC(=O)CN1 Q56752 [0,1,0,1,0,0|0,0,2]=4 1234 B8R1.3 C[C@@H]1CC[C@@H](O)CN1 Q56745 [0,1,0,1,0,0|0,0,0]=2 1235 B8R1.3 C[C@@H]1CC[C@H](O)CN1 P45650 [0,1,0,1,0,0|0,0,0]=2 1236 B8R1.3 C[C@@H]1CC[C@H](O)CN1 Q56748 [0,1,0,1,0,0|0,0,0]=2 1237 B8R1.3 C[C@@H]1CC[C@H](O)CN1 Q56749 [0,1,0,1,0,0|0,0,0]=2 1238 B8R1.3 C[C@@H]1CO[C@H](C)CN1 H-8048 [0,1,0,1,0,0|2,0,0]=4 1239 B8R1.3 C[C@@H]1CO[C@H](C)CN1 K16121 [0,1,0,1,0,0|2,0,0]=4 1240 B8R1.3 C[C@H]1CCC(=O)CN1 Q56753 [0,1,0,1,0,0|0,0,2]=4 1241 B8R1.3 C[C@H]1CCC(=O)CN1 Q56754 [0,1,0,1,0,0|0,0,2]=4 1242 B8R1.3 C[C@H]1CC[C@@H](O)CN1 P50092 [0,1,0,1,0,0|0,0,0]=2 1243 B8R1.3 C[C@H]1CC[C@@H](O)CN1 Q56719 [0,1,0,1,0,0|0,0,0]=2 1244 B8R1.3 C[C@H]1CC[C@H](N)CC1 P45887 [0,1,0,1,0,0|1,0,0]=3 1245 B8R1.3 C[C@H]1CC[C@H](O)CN1 Q56728 [0,1,0,1,0,0|0,0,0]=2 1246 B8R1.3 C[C@H]1CC[C@H](O)CN1 Q56729 [0,1,0,1,0,0|0,0,0]=2 1247 B8R1.3 C[C@H]1CN[C@@H](C)CN1 G-7097 [0,1,0,1,0,0|2,0,0]=4 1248 B8R1.3 C[C@H]1CN[C@H](C)CO1 F-4331 [0,1,0,1,0,0|2,0,0]=4 1249 B8R1.3 C[C@H]1CO[C@@H](C)CN1 M23096 [0,1,0,1,0,0|2,0,0]=4 1250 B8R1.3 C[C@H]1CO[C@@H](C)CN1 O32398 [0,1,0,1,0,0|2,0,0]=4 1251 B8R1.3 C[C@H]1CO[C@H](C)CN1 H-8444 [0,1,0,1,0,0|2,0,0]=4 1252 B8R1.3 NC1CCC(=O)CC1 P36686 [0,1,0,1,0,0|1,0,1]=4 1253 B8R1.3 NC1CCC(F)CC1 P48099 [0,1,0,1,0,0|2,0,0]=4 1254 B8R1.3 NC1CCC(F)CC1 Q57430 [0,1,0,1,0,0|2,0,0]=4 1255 B8R1.3 NC1CCC(O)CC1 P44662 [0,1,0,1,0,0|1,0,0]=3 1256 B8R1.3 NC1CCC(O)CC1 P44669 [0,1,0,1,0,0|1,0,0]=3 1257 B8R1.3 NC1CCS(=O)CC1 Q54883 [0,1,0,1,0,0|1,0,1]=4 1258 B8R1.3 NC1CCS(=O)CC1 Q54884 [0,1,0,1,0,0|1,0,1]=4 1259 B8R1.3 NN1CCC(O)CC1 P51626 [0,1,0,1,0,0|2,0,0]=4 1260 B8R1.3 N[C@H]1CC[C@@H](F)CC1 P44838 [0,1,0,1,0,0|2,0,0]=4 1261 B8R1.3 N[C@H]1CC[C@@H](O)CC1 L13980 [0,1,0,1,0,0|1,0,0]=3 1262 B8R1.3 N[C@H]1CC[C@H](F)CC1 P44837 [0,1,0,1,0,0|2,0,0]=4 1263 B8R1.3 N[C@H]1CC[C@H](N)CC1 Q69448 [0,1,0,1,0,0|2,0,0]=4 1264 B8R1.3 N[C@H]1CC[C@H](O)CC1 G-6922 [0,1,0,1,0,0|1,0,0]=3 1265 B8R1.3 N[C@H]1CC[C@H](O)CC1 P45541 [0,1,0,1,0,0|1,0,0]=3 1266 B8R1.3 O=C1CCC(Br)CC1 P39565 [0,1,0,1,0,0|1,0,1]=4 1267 B8R1.3 O=C1CCC(F)CC1 L21631 [0,1,0,1,0,0|1,0,1]=4 1268 B8R1.3 O=C1CC[C@H](O)CN1 Q52728 [0,1,0,1,0,0|1,0,1]=4 1269 B8R1.3 O=S1CCC(O)CC1 Q57900 [0,1,0,1,0,0|1,0,1]=4 1270 B8R1.3 OC1CCC(Br)CC1 P44927 [0,1,0,1,0,0|1,0,0]=3 1271 B8R1.3 OC1CCC(F)CC1 P43964 [0,1,0,1,0,0|1,0,0]=3 1272 B8R1.3 OC1COC(O)CO1 G-7937 [0,1,0,1,0,0|2,0,0]=4 1273 B8R1.3 O[C@H]1CC[C@@H](F)CC1 P44855 [0,1,0,1,0,0|1,0,0]=3 1274 B8R1.3 O[C@H]1CC[C@@H](O)CC1 L13038 [0,1,0,1,0,0|1,0,0]=3 1275 B8R1.3 O[C@H]1CC[C@H](F)CC1 P47218 [0,1,0,1,0,0|1,0,0]=3 1276 B8R1.3 O[C@H]1CC[C@H](S)CC1 P45358 [0,1,0,1,0,0|1,0,0]=3 1277 B8R1.5 CC1CCNCC1=O F-4040 [0,1,0,1,0,0|1,0,1]=4 1278 B8R1.5 CC1CCNCC1C Q59916 [0,1,0,1,0,0|1,0,0]=3 1279 B8R1.5 CC1CCNCC1F Q59913 [0,1,0,1,0,0|1,0,0]=3 1280 B8R1.5 CC1CCNCC1O F-4041 [0,1,0,1,0,0|1,0,0]=3 1281 B8R1.5 CC1CCNCC1O G-7991 [0,1,0,1,0,0|1,0,0]=3 1282 B8R1.5 CC1CNCCC1F Q54399 [0,1,0,1,0,0|2,0,0]=4 1283 B8R1.5 CC1CNCCC1F Q54400 [0,1,0,1,0,0|2,0,0]=4 1284 B8R1.5 CC1CNCCC1O I-9227 [0,1,0,1,0,0|2,0,0]=4 1285 B8R1.5 CC1COCCC1=O F-4697 [0,1,0,1,0,0|1,0,1]=4 1286 B8R1.5 CC1NCCCC1O Q61133 [0,1,0,1,0,0|2,0,0]=4 1287 B8R1.5 C[C@@H]1CCCC[C@@H]1N O34546 [0,1,0,1,0,0|1,0,0]=3 1288 B8R1.5 C[C@@H]1CCCC[C@@H]1N P46167 [0,1,0,1,0,0|1,0,0]=3 1289 B8R1.5 C[C@@H]1CCCC[C@H]1N P44819 [0,1,0,1,0,0|1,0,0]=3 1290 B8R1.5 C[C@@H]1CCCC[C@H]1N P44820 [0,1,0,1,0,0|1,0,0]=3 1291 B8R1.5 C[C@@H]1CCCC[C@H]1N P45791 [0,1,0,1,0,0|1,0,0]=3 1292 B8R1.5 C[C@@H]1CCCN[C@@H]1C P45337 [0,1,0,1,0,0|1,0,0]=3 1293 B8R1.5 C[C@@H]1CCCN[C@@H]1C Q61336 [0,1,0,1,0,0|1,0,0]=3 1294 B8R1.5 C[C@@H]1CCNC[C@@H]1O G-6540 [0,1,0,1,0,0|1,0,0]=3 1295 B8R1.5 C[C@@H]1CCNC[C@@H]1O Q56504 [0,1,0,1,0,0|1,0,0]=3 1296 B8R1.5 C[C@@H]1CCNC[C@H]1O Q56503 [0,1,0,1,0,0|1,0,0]=3 1297 B8R1.5 C[C@@H]1CNCCN1C G-7636 [0,1,0,1,0,0|2,0,0]=4 1298 B8R1.5 C[C@@H]1CNCCN1C L21507 [0,1,0,1,0,0|2,0,0]=4 1299 B8R1.5 C[C@@H]1CNCC[C@@H]1F Q53340 [0,1,0,1,0,0|2,0,0]=4 1300 B8R1.5 C[C@@H]1CNCC[C@H]1F Q53341 [0,1,0,1,0,0|2,0,0]=4 1301 B8R1.5 C[C@@H]1CNCC[C@H]1O L21732 [0,1,0,1,0,0|2,0,0]=4 1302 B8R1.5 C[C@@H]1CNCC[C@H]1O Q65201 [0,1,0,1,0,0|2,0,0]=4 1303 B8R1.5 C[C@@H]1COCC[C@@H]1N Q52400 [0,1,0,1,0,0|1,0,0]=3 1304 B8R1.5 C[C@@H]1COCC[C@H]1N O33010 [0,1,0,1,0,0|1,0,0]=3 1305 B8R1.5 C[C@@H]1COCC[C@H]1N Q56430 [0,1,0,1,0,0|1,0,0]=3 1306 B8R1.5 C[C@@H]1NCCC[C@@H]1O Q61250 [0,1,0,1,0,0|2,0,0]=4 1307 B8R1.5 C[C@@H]1NCCC[C@H]1O Q61249 [0,1,0,1,0,0|2,0,0]=4 1308 B8R1.5 C[C@H]1CCCC[C@@H]1N P45803 [0,1,0,1,0,0|1,0,0]=3 1309 B8R1.5 C[C@H]1CCCC[C@@H]1N P49914 [0,1,0,1,0,0|1,0,0]=3 1310 B8R1.5 C[C@H]1CCCC[C@H]1N O34572 [0,1,0,1,0,0|1,0,0]=3 1311 B8R1.5 C[C@H]1CCCC[C@H]1N P45166 [0,1,0,1,0,0|1,0,0]=3 1312 B8R1.5 C[C@H]1CCNC[C@@H]1O G-6539 [0,1,0,1,0,0|1,0,0]=3 1313 B8R1.5 C[C@H]1CNCCN1C G-7100 [0,1,0,1,0,0|2,0,0]=4 1314 B8R1.5 C[C@H]1CNCCN1C L14176 [0,1,0,1,0,0|2,0,0]=4 1315 B8R1.5 C[C@H]1CNCC[C@@H]1O Q65202 [0,1,0,1,0,0|2,0,0]=4 1316 B8R1.5 C[C@H]1COCC[C@@H]1N G-7933 [0,1,0,1,0,0|1,0,0]=3 1317 B8R1.5 C[C@H]1COCC[C@H]1N G-7268 [0,1,0,1,0,0|1,0,0]=3 1318 B8R1.5 C[C@H]1COCC[C@H]1N Q52399 [0,1,0,1,0,0|1,0,0]=3 1319 B8R1.5 C[C@H]1NCCC[C@@H]1O Q61135 [0,1,0,1,0,0|2,0,0]=4 1320 B8R1.5 C[C@H]1NCCC[C@@H]1O Q61248 [0,1,0,1,0,0|2,0,0]=4 1321 B8R1.5 C[C@H]1NCCC[C@H]1O Q61134 [0,1,0,1,0,0|2,0,0]=4 1322 B8R1.5 C[C@H]1NCCC[C@H]1O Q61251 [0,1,0,1,0,0|2,0,0]=4 1323 B8R1.5 F[C@H]1CCNC[C@@H]1F I-9645 [0,1,0,1,0,0|2,0,0]=4 1324 B8R1.5 F[C@H]1CNCC[C@H]1F I-9608 [0,1,0,1,0,0|2,0,0]=4 1325 B8R1.5 NC1CCCCC1F P50555 [0,1,0,1,0,0|2,0,0]=4 1326 B8R1.5 NC1COCCC1F Q54881 [0,1,0,1,0,0|1,0,0]=3 1327 B8R1.5 N[C@@H]1CCCC[C@@H]1F P48909 [0,1,0,1,0,0|2,0,0]=4 1328 B8R1.5 N[C@@H]1CCCC[C@@H]1O P46454 [0,1,0,1,0,0|2,0,0]=4 1329 B8R1.5 N[C@@H]1CCCC[C@@H]1O P49846 [0,1,0,1,0,0|2,0,0]=4 1330 B8R1.5 N[C@@H]1CCCC[C@H]1F P46966 [0,1,0,1,0,0|2,0,0]=4 1331 B8R1.5 N[C@@H]1CCCC[C@H]1F P49016 [0,1,0,1,0,0|2,0,0]=4 1332 B8R1.5 N[C@@H]1CCCC[C@H]1N M15638 [0,1,0,1,0,0|2,0,0]=4 1333 B8R1.5 N[C@@H]1CCCC[C@H]1O P48754 [0,1,0,1,0,0|2,0,0]=4 1334 B8R1.5 N[C@@H]1CCNC[C@@H]1O Q52229 [0,1,0,1,0,0|2,0,0]=4 1335 B8R1.5 N[C@@H]1CCNC[C@@H]1O Q52230 [0,1,0,1,0,0|2,0,0]=4 1336 B8R1.5 N[C@@H]1CCNC[C@H]1O Q52224 [0,1,0,1,0,0|2,0,0]=4 1337 B8R1.5 N[C@@H]1CCNC[C@H]1O Q52225 [0,1,0,1,0,0|2,0,0]=4 1338 B8R1.5 N[C@@H]1CCOC[C@@H]1F I-9261 [0,1,0,1,0,0|1,0,0]=3 1339 B8R1.5 N[C@@H]1CCOC[C@@H]1F O32994 [0,1,0,1,0,0|1,0,0]=3 1340 B8R1.5 N[C@@H]1CCOC[C@@H]1F Q52308 [0,1,0,1,0,0|1,0,0]=3 1341 B8R1.5 N[C@@H]1CCOC[C@@H]1O G-6344 [0,1,0,1,0,0|1,0,0]=3 1342 B8R1.5 N[C@@H]1CCOC[C@@H]1O G-7927 [0,1,0,1,0,0|1,0,0]=3 1343 B8R1.5 N[C@@H]1CCOC[C@@H]1O L13461 [0,1,0,1,0,0|1,0,0]=3 1344 B8R1.5 N[C@@H]1CCOC[C@@H]1O Q65031 [0,1,0,1,0,0|1,0,0]=3 1345 B8R1.5 N[C@@H]1CCOC[C@H]1F I-9786 [0,1,0,1,0,0|1,0,0]=3 1346 B8R1.5 N[C@@H]1CCOC[C@H]1O I-9206 [0,1,0,1,0,0|1,0,0]=3 1347 B8R1.5 N[C@@H]1COCC[C@@H]1O L14613 [0,1,0,1,0,0|1,0,0]=3 1348 B8R1.5 N[C@@H]1COCC[C@@H]1O Q65030 [0,1,0,1,0,0|1,0,0]=3 1349 B8R1.5 N[C@@H]1COCC[C@H]1F Q65046 [0,1,0,1,0,0|1,0,0]=3 1350 B8R1.5 N[C@@H]1COCC[C@H]1O G-7504 [0,1,0,1,0,0|1,0,0]=3 1351 B8R1.5 N[C@@H]1COCC[C@H]1O L13647 [0,1,0,1,0,0|1,0,0]=3 1352 B8R1.5 N[C@H]1CCCC[C@@H]1F P49406 [0,1,0,1,0,0|2,0,0]=4 1353 B8R1.5 N[C@H]1CCCC[C@@H]1O P44501 [0,1,0,1,0,0|2,0,0]=4 1354 B8R1.5 N[C@H]1CCCC[C@H]1O P45876 [0,1,0,1,0,0|2,0,0]=4 1355 B8R1.5 N[C@H]1CCCC[C@H]1O P46705 [0,1,0,1,0,0|2,0,0]=4 1356 B8R1.5 N[C@H]1CCNC[C@@H]1O Q52226 [0,1,0,1,0,0|2,0,0]=4 1357 B8R1.5 N[C@H]1CCNC[C@H]1O Q52227 [0,1,0,1,0,0|2,0,0]=4 1358 B8R1.5 N[C@H]1CCNC[C@H]1O Q52228 [0,1,0,1,0,0|2,0,0]=4 1359 B8R1.5 N[C@H]1CCOC[C@@H]1F I-9495 [0,1,0,1,0,0|1,0,0]=3 1360 B8R1.5 N[C@H]1CCOC[C@@H]1F I-9780 [0,1,0,1,0,0|1,0,0]=3 1361 B8R1.5 N[C@H]1CCOC[C@@H]1O G-7267 [0,1,0,1,0,0|1,0,0]=3 1362 B8R1.5 N[C@H]1CCOC[C@@H]1O I-9259 [0,1,0,1,0,0|1,0,0]=3 1363 B8R1.5 N[C@H]1CCOC[C@@H]1O Q65027 [0,1,0,1,0,0|1,0,0]=3 1364 B8R1.5 N[C@H]1CCOC[C@H]1F O32995 [0,1,0,1,0,0|1,0,0]=3 1365 B8R1.5 N[C@H]1CCOC[C@H]1F Q52307 [0,1,0,1,0,0|1,0,0]=3 1366 B8R1.5 N[C@H]1CCOC[C@H]1O L18331 [0,1,0,1,0,0|1,0,0]=3 1367 B8R1.5 N[C@H]1CCOC[C@H]1O Q65032 [0,1,0,1,0,0|1,0,0]=3 1368 B8R1.5 N[C@H]1COCC[C@@H]1O G-5997 [0,1,0,1,0,0|1,0,0]=3 1369 B8R1.5 N[C@H]1COCC[C@@H]1O Q56271 [0,1,0,1,0,0|1,0,0]=3 1370 B8R1.5 N[C@H]1COCC[C@H]1O Q65029 [0,1,0,1,0,0|1,0,0]=3 1371 B8R1.5 O=C1CCOCC1Br C-3416 [0,1,0,1,0,0|1,0,1]=4 1372 B8R1.5 O=C1CCOCC1F G-7272 [0,1,0,1,0,0|1,0,1]=4 1373 B8R1.5 O=C1CCOC[C@H]1F Q52309 [0,1,0,1,0,0|1,0,1]=4 1374 B8R1.5 O=C1COCCC1Br Q54651 [0,1,0,1,0,0|1,0,1]=4 1375 B8R1.5 OC1CCCCC1Br Q59575 [0,1,0,1,0,0|2,0,0]=4 1376 B8R1.5 OC1CCOCC1F L14603 [0,1,0,1,0,0|1,0,0]=3 1377 B8R1.5 OC1CCOCC1O Q54610 [0,1,0,1,0,0|1,0,0]=3 1378 B8R1.5 O[C@@H]1CCNC[C@@H]1F I-9127 [0,1,0,1,0,0|2,0,0]=4 1379 B8R1.5 O[C@@H]1CCNC[C@@H]1F Q56264 [0,1,0,1,0,0|2,0,0]=4 1380 B8R1.5 O[C@@H]1CCNC[C@H]1F G-6837 [0,1,0,1,0,0|2,0,0]=4 1381 B8R1.5 O[C@@H]1CCNC[C@H]1F Q56265 [0,1,0,1,0,0|2,0,0]=4 1382 B8R1.5 O[C@@H]1CCOC[C@@H]1F O33072 [0,1,0,1,0,0|1,0,0]=3 1383 B8R1.5 O[C@@H]1CCOC[C@H]1F Q64491 [0,1,0,1,0,0|1,0,0]=3 1384 B8R1.5 O[C@@H]1CCOC[C@H]1O Q62887 [0,1,0,1,0,0|1,0,0]=3 1385 B8R1.5 O[C@@H]1CNCC[C@H]1F G-6836 [0,1,0,1,0,0|2,0,0]=4 1386 B8R1.5 O[C@@H]1CNCC[C@H]1F L13235 [0,1,0,1,0,0|2,0,0]=4 1387 B8R1.5 O[C@H]1CCNC[C@@H]1F L13157 [0,1,0,1,0,0|2,0,0]=4 1388 B8R1.5 O[C@H]1CCNC[C@@H]1O H-8035 [0,1,0,1,0,0|2,0,0]=4 1389 B8R1.5 O[C@H]1CCNC[C@@H]1O O33528 [0,1,0,1,0,0|2,0,0]=4 1390 B8R1.5 O[C@H]1CCNC[C@H]1F G-5703 [0,1,0,1,0,0|2,0,0]=4 1391 B8R1.5 O[C@H]1CCNC[C@H]1F Q52346 [0,1,0,1,0,0|2,0,0]=4 1392 B8R1.5 O[C@H]1CCNC[C@H]1O Q59861 [0,1,0,1,0,0|2,0,0]=4 1393 B8R1.5 O[C@H]1CCOC[C@@H]1F P48147 [0,1,0,1,0,0|1,0,0]=3 1394 B8R1.5 O[C@H]1CCOC[C@@H]1F Q64492 [0,1,0,1,0,0|1,0,0]=3 1395 B8R1.5 O[C@H]1CCOC[C@H]1F L22048 [0,1,0,1,0,0|1,0,0]=3 1396 B8R1.5 O[C@H]1CCOC[C@H]1F O33074 [0,1,0,1,0,0|1,0,0]=3 1397 B8R1.5 O[C@H]1CNCC[C@H]1F Q52403 [0,1,0,1,0,0|2,0,0]=4 1398 B8R1.5 O[C@H]1CNCC[C@H]1F Q65042 [0,1,0,1,0,0|2,0,0]=4 1399 B8R1.5 O[C@H]1CNCC[C@H]1O G-6972 [0,1,0,1,0,0|2,0,0]=4 1400 B8R1.5 O[C@H]1CNCC[C@H]1O Q59948 [0,1,0,1,0,0|2,0,0]=4 1401 B8R1.5 [C@@H]1(O)COCC[C@H]1N Q65028 [0,1,0,1,0,0|1,0,0]=3 1402 B8R1.10 BrCCOC1CCC1 P49161 [0,1,0,1,0,0|1,0,0]=3 1403 B8R1.10 C=CCCN1CCC1 P45309 [0,1,0,1,0,0|2,0,0]=4 1404 B8R1.10 CCCNC1CNC1 P48003 [0,1,0,1,0,0|2,0,0]=4 1405 B8R1.10 CCCOC1CNC1 O30745 [0,1,0,1,0,0|2,0,0]=4 1406 B8R1.10 CCCOC1CNC1 P44923 [0,1,0,1,0,0|2,0,0]=4 1407 B8R1.10 CCNCC1CCC1 P45276 [0,1,0,1,0,0|1,0,0]=3 1408 B8R1.10 CCNCC1CCC1 P45868 [0,1,0,1,0,0|1,0,0]=3 1409 B8R1.10 CCNCC1CNC1 P44880 [0,1,0,1,0,0|2,0,0]=4 1410 B8R1.10 CCOCC1CNC1 P44922 [0,1,0,1,0,0|2,0,0]=4 1411 B8R1.10 CNCCC1CCC1 P34701 [0,1,0,1,0,0|1,0,0]=3 1412 B8R1.10 CNCCN1CCC1 P44758 [0,1,0,1,0,0|2,0,0]=4 1413 B8R1.10 COCCC1CNC1 P44773 [0,1,0,1,0,0|1,0,0]=3 1414 B8R1.10 COCCC1CNC1 P44774 [0,1,0,1,0,0|1,0,0]=3 1415 B8R1.10 FCCOC1CNC1 P48700 [0,1,0,1,0,0|2,0,0]=4 1416 B8R1.10 N#CCCC1CNC1 P49391 [0,1,0,1,0,0|2,0,0]=4 1417 B8R1.10 N#CCCN1CCC1 P47303 [0,1,0,1,0,0|2,0,0]=4 1418 B8R1.10 NCCCC1CCC1 P35867 [0,1,0,1,0,0|1,0,0]=3 1419 B8R1.10 NCCCN1CCC1 P45494 [0,1,0,1,0,0|2,0,0]=4 1420 B8R1.10 NCCOC1CCC1 L20867 [0,1,0,1,0,0|1,0,0]=3 1421 B8R1.10 NCCOC1CCC1 P48638 [0,1,0,1,0,0|1,0,0]=3 1422 B8R1.10 O=C=NCC1CCC1 P47945 [0,1,0,1,0,0|0,0,2]=4 1423 B8R1.10 O=CCCC1CCC1 P46841 [0,1,0,1,0,0|0,0,1]=3 1424 B8R1.10 O=CCCC1CCO1 Q57245 [0,1,0,1,0,0|1,0,1]=4 1425 B8R1.10 OCCCC1CNC1 P48483 [0,1,0,1,0,0|1,0,0]=3 1426 B8R1.10 OCCCC1COC1 Q54775 [0,1,0,1,0,0|1,0,0]=3 1427 B8R1.10 OCCCN1CCC1 P44834 [0,1,0,1,0,0|1,0,0]=3 1428 B8R1.10 OCCNC1CCC1 P45739 [0,1,0,1,0,0|0,0,0]=2 1429 B8R1.10 OCCNC1CSC1 Q58886 [0,1,0,1,0,0|1,0,0]=3 1430 B8R1.10 OCCOC1CCC1 P45345 [0,1,0,1,0,0|0,0,0]=2 1431 B8R1.10 OCCOC1CNC1 P48226 [0,1,0,1,0,0|1,0,0]=3 1432 B8R1.10 S=C=NCC1CCC1 P49812 [0,1,0,1,0,0|0,1,1]=4 1433 B8R1.13 CNCC1CCC1F P47231 [0,1,0,1,0,0|2,0,0]=4 1434 B8R1.13 COCC1CCC1N P47021 [0,1,0,1,0,0|1,0,0]=3 1435 B8R1.13 COCC1CCC1N P47931 [0,1,0,1,0,0|1,0,0]=3 1436 B8R1.13 COC[C@H]1CC[C@@H]1N P46988 [0,1,0,1,0,0|1,0,0]=3 1437 B8R1.13 COC[C@H]1CC[C@@H]1N P46994 [0,1,0,1,0,0|1,0,0]=3 1438 B8R1.13 COC[C@H]1CC[C@H]1N P46962 [0,1,0,1,0,0|1,0,0]=3 1439 B8R1.13 COC[C@H]1CC[C@H]1N P46995 [0,1,0,1,0,0|1,0,0]=3 1440 B8R1.22 BrC1CCCCCC1 P39447 [0,1,0,1,0,0|2,0,0]=4 1441 B8R1.22 CC1CCNCCN1 L14127 [0,1,0,1,0,0|1,0,0]=3 1442 B8R1.22 FC1CCCNCC1 L18431 [0,1,0,1,0,0|2,0,0]=4 1443 B8R1.38 CC(CN)C1CCO1 Q56203 [0,1,0,1,0,0|1,0,0]=3 1444 B8R1.38 CC(CN)C1COC1 Q55850 [0,1,0,1,0,0|1,0,0]=3 1445 B8R1.38 CC(CO)C1CCO1 O32942 [0,1,0,1,0,0|1,0,0]=3 1446 B8R1.38 CC(CO)C1CNC1 P50152 [0,1,0,1,0,0|1,0,0]=3 1447 B8R1.38 CC(CO)C1COC1 Q55849 [0,1,0,1,0,0|1,0,0]=3 1448 B8R1.38 CC(CO)N1CCC1 P46846 [0,1,0,1,0,0|1,0,0]=3 1449 B8R1.38 CCC(=O)C1CCC1 P45339 [0,1,0,1,0,0|1,0,1]=4 1450 B8R1.38 CCC(=O)C1COC1 Q56142 [0,1,0,1,0,0|1,0,1]=4 1451 B8R1.38 CCC(F)C1CNC1 P47119 [0,1,0,1,0,0|2,0,0]=4 1452 B8R1.38 CCC(O)C1CCC1 P48473 [0,1,0,1,0,0|1,0,0]=3 1453 B8R1.38 CCC(O)C1COC1 Q56141 [0,1,0,1,0,0|1,0,0]=3 1454 B8R1.38 CCN(C)C1CNC1 P48706 [0,1,0,1,0,0|2,0,0]=4 1455 B8R1.38 CCN(C)C1CNC1 P50281 [0,1,0,1,0,0|2,0,0]=4 1456 B8R1.38 CNC(C)C1CCC1 P48247 [0,1,0,1,0,0|2,0,0]=4 1457 B8R1.38 C[C@@H](CO)N1CCC1 P48675 [0,1,0,1,0,0|1,0,0]=3 1458 B8R1.38 N#CC(O)C1CCC1 P47263 [0,1,0,1,0,0|1,0,1]=4 1459 B8R1.38 NC(CO)C1CCC1 P41858 [0,1,0,1,0,0|0,0,0]=2 1460 B8R1.38 NCC(=O)C1CCC1 L19863 [0,1,0,1,0,0|1,0,1]=4 1461 B8R1.38 NCC(F)C1COC1 Q63098 [0,1,0,1,0,0|2,0,0]=4 1462 B8R1.38 NCC(N)C1CCC1 P47103 [0,1,0,1,0,0|1,0,0]=3 1463 B8R1.38 NCC(N)C1CCC1 P48948 [0,1,0,1,0,0|1,0,0]=3 1464 B8R1.38 NCC(O)C1CCC1 P45275 [0,1,0,1,0,0|1,0,0]=3 1465 B8R1.38 NCC(O)C1CCC1 P46691 [0,1,0,1,0,0|1,0,0]=3 1466 B8R1.38 N[C@@H](CO)C1CCC1 P42021 [0,1,0,1,0,0|0,0,0]=2 1467 B8R1.38 N[C@H](CO)C1CCC1 P42020 [0,1,0,1,0,0|0,0,0]=2 1468 B8R1.38 O=C(CBr)C1CCC1 P44370 [0,1,0,1,0,0|1,0,1]=4 1469 B8R1.38 O=C(CCl)C1CCC1 P45495 [0,1,0,1,0,0|1,0,1]=4 1470 B8R1.38 O=C(CO)C1CCC1 P45459 [0,1,0,1,0,0|0,0,1]=3 1471 B8R1.38 O=C(NO)C1CCC1 P45195 [0,1,0,1,0,0|1,0,1]=4 1472 B8R1.38 OCC(O)C1CCC1 P44874 [0,1,0,1,0,0|0,0,0]=2 1473 B8R1.47 CCN1CC(CN)C1 P44000 [0,1,0,1,0,0|2,0,0]=4 1474 B8R1.47 CCN1CC(CO)C1 P47028 [0,1,0,1,0,0|1,0,0]=3 1475 B8R1.47 CNC1CC(CO)C1 P47962 [0,1,0,1,0,0|1,0,0]=3 1476 B8R1.47 CN[C@H]1C[C@@H](CO)C1 P48959 [0,1,0,1,0,0|1,0,0]=3 1477 B8R1.47 CN[C@H]1C[C@H](CO)C1 P48831 [0,1,0,1,0,0|1,0,0]=3 1478 B8R1.47 COC1CC(C#N)C1 P47877 [0,1,0,1,0,0|1,0,1]=4 1479 B8R1.47 COC1CC(CN)C1 P44011 [0,1,0,1,0,0|1,0,0]=3 1480 B8R1.47 COC1CC(CO)C1 P45045 [0,1,0,1,0,0|1,0,0]=3 1481 B8R1.47 COC1CC(NN)C1 P47357 [0,1,0,1,0,0|2,0,0]=4 1482 B8R1.47 CO[C@H]1C[C@@H](C#N)C1 P45788 [0,1,0,1,0,0|1,0,1]=4 1483 B8R1.47 CO[C@H]1C[C@@H](CN)C1 L21686 [0,1,0,1,0,0|1,0,0]=3 1484 B8R1.47 CO[C@H]1C[C@@H](CN)C1 P43904 [0,1,0,1,0,0|1,0,0]=3 1485 B8R1.47 CO[C@H]1C[C@@H](CO)C1 P44710 [0,1,0,1,0,0|1,0,0]=3 1486 B8R1.47 CO[C@H]1C[C@@H](NN)C1 P46096 [0,1,0,1,0,0|2,0,0]=4 1487 B8R1.47 CO[C@H]1C[C@H](C#N)C1 P45787 [0,1,0,1,0,0|1,0,1]=4 1488 B8R1.47 CO[C@H]1C[C@H](CN)C1 O33186 [0,1,0,1,0,0|1,0,0]=3 1489 B8R1.47 CO[C@H]1C[C@H](CN)C1 P48158 [0,1,0,1,0,0|1,0,0]=3 1490 B8R1.47 CO[C@H]1C[C@H](CO)C1 P46301 [0,1,0,1,0,0|1,0,0]=3 1491 B8R1.47 CO[C@H]1C[C@H](NN)C1 P46108 [0,1,0,1,0,0|2,0,0]=4 1492 B8R1.47 N#CC1CC(CF)C1 P47148 [0,1,0,1,0,0|2,0,0]=4 1493 B8R1.47 N#CC1CC(CO)C1 P44253 [0,1,0,1,0,0|1,0,1]=4 1494 B8R1.47 NCC1CC(CO)C1 P46501 [0,1,0,1,0,0|1,0,0]=3 1495 B8R1.47 NC[C@H]1C[C@@H](CO)C1 P47261 [0,1,0,1,0,0|1,0,0]=3 1496 B8R1.47 NC[C@H]1C[C@H](CO)C1 P47260 [0,1,0,1,0,0|1,0,0]=3 1497 B8R1.47 OCC1CC(CO)C1 P44928 [0,1,0,1,0,0|1,0,0]=3 1498 B8R1.47 OC[C@H]1C[C@@H](CO)C1 P45903 [0,1,0,1,0,0|1,0,0]=3 1499 B8R1.47 OC[C@H]1C[C@H](CO)C1 P45192 [0,1,0,1,0,0|1,0,0]=3 1500 B8R1.50 CC1C(=O)CCN1C Q52697 [0,1,0,1,0,0|1,0,1]=4 1501 B8R1.50 CN1CCC(O)C1=O Q62094 [0,1,0,1,0,0|1,0,1]=4 1502 B8R1.50 C[C@@H]1CC[C@@H](O)[C@H]1N Q53610 [0,1,0,1,0,0|0,0,0]=2 1503 B8R1.50 C[C@H]1CC[C@H](O)[C@@H]1N Q53609 [0,1,0,1,0,0|0,0,0]=2 1504 B8R1.52 C#CC1(O)CCOC1 L22008 [0,1,0,1,0,0|0,0,2]=4 1505 B8R1.52 CC1(CN)CCCC1 Q59146 [0,1,0,1,0,0|2,0,0]=4 1506 B8R1.52 CC1(CN)CCCO1 G-6526 [0,1,0,1,0,0|1,0,0]=3 1507 B8R1.52 CC1(CN)CCCO1 O33458 [0,1,0,1,0,0|1,0,0]=3 1508 B8R1.52 CC1(CN)CCNC1 G-7781 [0,1,0,1,0,0|2,0,0]=4 1509 B8R1.52 CC1(CN)CCNC1 Q52200 [0,1,0,1,0,0|2,0,0]=4 1510 B8R1.52 CC1(CN)CCOC1 G-7380 [0,1,0,1,0,0|1,0,0]=3 1511 B8R1.52 CC1(CO)CCCC1 P38391 [0,1,0,1,0,0|2,0,0]=4 1512 B8R1.52 CC1(CO)CCCN1 S72618 [0,1,0,1,0,0|2,0,0]=4 1513 B8R1.52 CCC1(C)CCNC1 Q61657 [0,1,0,1,0,0|1,0,0]=3 1514 B8R1.52 CCC1(F)CCNC1 Q61801 [0,1,0,1,0,0|1,0,0]=3 1515 B8R1.52 C[C@@]1(CO)CCCN1 G-7385 [0,1,0,1,0,0|2,0,0]=4 1516 B8R1.52 C[C@]1(CO)CCCN1 G-7388 [0,1,0,1,0,0|2,0,0]=4 1517 B8R1.52 FC1(CBr)CCCC1 Q61871 [0,1,0,1,0,0|2,0,0]=4 1518 B8R1.52 FC1(CBr)CCNC1 Q55058 [0,1,0,1,0,0|2,0,0]=4 1519 B8R1.52 NC1(CO)CCCC1 P42933 [0,1,0,1,0,0|2,0,0]=4 1520 B8R1.52 NC1(CO)CCNC1 K12029 [0,1,0,1,0,0|2,0,0]=4 1521 B8R1.52 NC1(CO)CCOC1 G-6440 [0,1,0,1,0,0|1,0,0]=3 1522 B8R1.52 NCC1(F)CCCC1 O33113 [0,1,0,1,0,0|2,0,0]=4 1523 B8R1.52 NCC1(O)CCCC1 O33303 [0,1,0,1,0,0|2,0,0]=4 1524 B8R1.52 NCC1(O)CCCC1 Q52143 [0,1,0,1,0,0|2,0,0]=4 1525 B8R1.52 OC1(CF)CCNC1 G-5039 [0,1,0,1,0,0|2,0,0]=4 1526 B8R1.52 OCC1(F)CCCC1 Q57007 [0,1,0,1,0,0|2,0,0]=4 1527 B8R1.52 OCC1(F)CCNC1 Q52107 [0,1,0,1,0,0|2,0,0]=4 1528 B8R1.52 OCC1(F)CCNC1 Q52108 [0,1,0,1,0,0|2,0,0]=4 1529 B8R1.52 OCC1(O)CCNC1 L18123 [0,1,0,1,0,0|2,0,0]=4 1530 B8R1.52 OCC1(O)CCNC1 Q56447 [0,1,0,1,0,0|2,0,0]=4 1531 B8R1.52 OC[C@@]1(F)CCNC1 Q62186 [0,1,0,1,0,0|2,0,0]=4 1532 B8R1.52 OC[C@]1(F)CCNC1 Q62187 [0,1,0,1,0,0|2,0,0]=4 1533 B8R1.58 CC1(C#N)CCC1O P45813 [0,1,0,1,0,0|1,0,1]=4 1534 B8R1.58 CCC1(C)CCC1=O P45220 [0,1,0,1,0,0|0,0,1]=3 1535 B8R1.58 CCC1(C)OCC1N Q55852 [0,1,0,1,0,0|0,0,0]=2 1536 B8R1.7 CC(=O)C1CCNC1 O31491 [0,1,0,1,0,0|1,0,1]=4 1537 B8R1.7 CC(C)C1CCNC1 O33444 [0,1,0,1,0,0|1,0,0]=3 1538 B8R1.7 CC(C)C1CCNC1 Q61705 [0,1,0,1,0,0|1,0,0]=3 1539 B8R1.7 CC(C)[C@@H]1CCCN1 L22352 [0,1,0,1,0,0|2,0,0]=4 1540 B8R1.7 CC(C)[C@@H]1CCNC1 O33128 [0,1,0,1,0,0|1,0,0]=3 1541 B8R1.7 CC(C)[C@@H]1CCNC1 Q61637 [0,1,0,1,0,0|1,0,0]=3 1542 B8R1.7 CC(C)[C@H]1CCCN1 Q55562 [0,1,0,1,0,0|2,0,0]=4 1543 B8R1.7 CC(C)[C@H]1CCNC1 L13956 [0,1,0,1,0,0|1,0,0]=3 1544 B8R1.7 CC(C)[C@H]1CCNC1 Q61626 [0,1,0,1,0,0|1,0,0]=3 1545 B8R1.7 CC(N)C1CCCC1 O30449 [0,1,0,1,0,0|1,0,0]=3 1546 B8R1.7 CC(N)C1CCCC1 O33618 [0,1,0,1,0,0|1,0,0]=3 1547 B8R1.7 CC(O)C1CCNC1 P41560 [0,1,0,1,0,0|1,0,0]=3 1548 B8R1.7 CC(O)C1CCNC1 Q59351 [0,1,0,1,0,0|1,0,0]=3 1549 B8R1.7 CN(C)C1CCNC1 O28981 [0,1,0,1,0,0|2,0,0]=4 1550 B8R1.7 CN(C)[C@@H]1CCNC1 P41661 [0,1,0,1,0,0|2,0,0]=4 1551 B8R1.7 CN(C)[C@@H]1CCNC1 P45047 [0,1,0,1,0,0|2,0,0]=4 1552 B8R1.7 CN(C)[C@H]1CCNC1 L13515 [0,1,0,1,0,0|2,0,0]=4 1553 B8R1.7 CN(C)[C@H]1CCNC1 O28882 [0,1,0,1,0,0|2,0,0]=4 1554 B8R1.7 C[C@H](N)C1CCCC1 Q59148 [0,1,0,1,0,0|1,0,0]=3 1555 B8R1.7 C[C@H](O)C1CCCC1 Q59154 [0,1,0,1,0,0|1,0,0]=3 1556 B8R1.7 FC(F)C1CCNC1 L22012 [0,1,0,1,0,0|2,0,0]=4 1557 B8R1.7 FC(F)C1CCNC1 Q52118 [0,1,0,1,0,0|2,0,0]=4 1558 B8R1.7 FC(F)[C@@H]1CCNC1 Q52281 [0,1,0,1,0,0|2,0,0]=4 1559 B8R1.7 FC(F)[C@H]1CCNC1 Q52282 [0,1,0,1,0,0|2,0,0]=4 1560 B8R1.7 NC(=O)C1CCOC1 G-6625 [0,1,0,1,0,0|1,0,1]=4 1561 B8R1.7 O=C(O)C1CCOC1 C-3386 [0,1,0,1,0,0|1,0,1]=4 1562 B8R1.7 O=C(O)[C@@H]1CCOC1 C-2786 [0,1,0,1,0,0|1,0,1]=4 1563 B8R1.7 O=C(O)[C@H]1CCOC1 C-2785 [0,1,0,1,0,0|1,0,1]=4 1564 B8R1.19 CC1(C)CCCC1N Q62001 [0,1,0,1,0,0|2,0,0]=4 1565 B8R1.19 CC1(C)CCCC1O L20761 [0,1,0,1,0,0|2,0,0]=4 1566 B8R1.19 CC1(C)CCC[C@@H]1N Q63826 [0,1,0,1,0,0|2,0,0]=4 1567 B8R1.19 CC1(C)CCC[C@@H]1O Q63828 [0,1,0,1,0,0|2,0,0]=4 1568 B8R1.19 CC1(C)CCC[C@H]1N Q63827 [0,1,0,1,0,0|2,0,0]=4 1569 B8R1.19 CC1(C)CCC[C@H]1O Q63829 [0,1,0,1,0,0|2,0,0]=4 1570 B8R1.19 CC1(C)NCCC1O Q64208 [0,1,0,1,0,0|2,0,0]=4 1571 B8R1.19 CC1(C)NCCC1O Q64209 [0,1,0,1,0,0|2,0,0]=4 1572 B8R1.19 CC1(C)OCCC1=O Q63498 [0,1,0,1,0,0|1,0,1]=4 1573 B8R1.19 CC1(F)CCCC1N Q54478 [0,1,0,1,0,0|2,0,0]=4 1574 B8R1.23 CC(=O)C1CC(O)C1 H-8191 [0,1,0,1,0,0|0,0,1]=3 1575 B8R1.23 CC(=O)N1CC(O)C1 L21515 [0,1,0,1,0,0|1,0,1]=4 1576 B8R1.23 CC(C)C1CC(N)C1 P47290 [0,1,0,1,0,0|1,0,0]=3 1577 B8R1.23 CC(C)N1CC(N)C1 G-6959 [0,1,0,1,0,0|2,0,0]=4 1578 B8R1.23 CC(C)N1CC(O)C1 C-2414 [0,1,0,1,0,0|1,0,0]=3 1579 B8R1.23 CC(C)N1CC(O)C1 P48814 [0,1,0,1,0,0|1,0,0]=3 1580 B8R1.23 CC(F)C1CC(=O)C1 P46360 [0,1,0,1,0,0|0,0,2]=4 1581 B8R1.23 CC(N)C1CC(F)C1 P47156 [0,1,0,1,0,0|1,0,0]=3 1582 B8R1.23 CC(N)C1CC(O)C1 P47214 [0,1,0,1,0,0|0,0,0]=2 1583 B8R1.23 CC(O)C1CC(=O)C1 P46310 [0,1,0,1,0,0|0,0,2]=4 1584 B8R1.23 CN(C)C1CC(N)C1 P49254 [0,1,0,1,0,0|2,0,0]=4 1585 B8R1.23 CN(C)C1CC(N)C1 P49255 [0,1,0,1,0,0|2,0,0]=4 1586 B8R1.23 CN(C)C1CC(O)C1 L14827 [0,1,0,1,0,0|1,0,0]=3 1587 B8R1.23 CN(C)[C@H]1C[C@@H](N)C1 P46927 [0,1,0,1,0,0|2,0,0]=4 1588 B8R1.23 CN(C)[C@H]1C[C@@H](O)C1 P44896 [0,1,0,1,0,0|1,0,0]=3 1589 B8R1.23 CN(C)[C@H]1C[C@H](N)C1 P46926 [0,1,0,1,0,0|2,0,0]=4 1590 B8R1.23 CN(C)[C@H]1C[C@H](O)C1 P44898 [0,1,0,1,0,0|1,0,0]=3 1591 B8R1.23 C[C@@H](N)C1CC(O)C1 K10848 [0,1,0,1,0,0|0,0,0]=2 1592 B8R1.23 NC1CC(C(F)F)C1 P47066 [0,1,0,1,0,0|2,0,0]=4 1593 B8R1.23 NC1CC(C(F)F)C1 P47110 [0,1,0,1,0,0|2,0,0]=4 1594 B8R1.23 N[C@H]1C[C@@H](C(F)F)C1 P50512 [0,1,0,1,0,0|2,0,0]=4 1595 B8R1.23 O=C(O)C1CC(O)C1 A-876 [0,1,0,1,0,0|1,0,1]=4 1596 B8R1.23 O=C(O)C1CC(O)C1 F-4100 [0,1,0,1,0,0|1,0,1]=4 1597 B8R1.23 O=C(O)C1CC(O)C1 F-4101 [0,1,0,1,0,0|1,0,1]=4 1598 B8R1.23 OC1CC(C(F)F)C1 P47125 [0,1,0,1,0,0|1,0,0]=3 1599 B8R1.24 CC1(C)C(=O)CC1O P48188 [0,1,0,1,0,0|1,0,1]=4 1600 B8R1.24 CC1(C)C(N)CC1F P46342 [0,1,0,1,0,0|2,0,0]=4 1601 B8R1.24 CC1(C)C(N)CC1O P48166 [0,1,0,1,0,0|1,0,0]=3 1602 B8R1.24 CC1(C)C(N)CC1O P48175 [0,1,0,1,0,0|1,0,0]=3 1603 B8R1.24 CC1(C)C(O)CC1O P48133 [0,1,0,1,0,0|1,0,0]=3 1604 B8R1.24 CC1(C)[C@@H](N)C[C@H]1O I-9724 [0,1,0,1,0,0|1,0,0]=3 1605 B8R1.24 CC1(C)[C@@H](N)C[C@H]1O P48165 [0,1,0,1,0,0|1,0,0]=3 1606 B8R1.24 CC1(C)[C@H](N)C[C@H]1O P48164 [0,1,0,1,0,0|1,0,0]=3 1607 B8R1.24 CC1(C)[C@H](N)C[C@H]1O P48170 [0,1,0,1,0,0|1,0,0]=3 1608 B8R1.27 CNCC1CC1(C)C P42339 [0,1,0,1,0,0|2,0,0]=4 1609 B8R1.27 OCCC1CC1(F)F Q55581 [0,1,0,1,0,0|1,0,0]=3 1610 B8R1.78 CC(N)C1(C)COC1 L21699 [0,1,0,1,0,0|2,0,0]=4 1611 B8R1.78 CC(N)C1(C)COC1 Q56880 [0,1,0,1,0,0|2,0,0]=4 1612 B8R1.78 CC1(C(=O)O)CCO1 Q56227 [0,1,0,1,0,0|1,0,1]=4 1613 B8R1.6 C(=O)CC1CC(F)C1 P46567 [0,1,0,1,0,0|0,0,2]=4 1614 B8R1.6 CC1CN(CCO)C1 P47859 [0,1,0,1,0,0|1,0,0]=3 1615 B8R1.6 CCCC1CC(=O)C1 P45457 [0,1,0,1,0,0|0,0,2]=4 1616 B8R1.6 CCCN1CC(O)C1 P48468 [0,1,0,1,0,0|1,0,0]=3 1617 B8R1.6 CCCN1CC(O)C1 P48737 [0,1,0,1,0,0|1,0,0]=3 1618 B8R1.6 CCNC1CN(C)C1 G-7106 [0,1,0,1,0,0|2,0,0]=4 1619 B8R1.6 CCOC1CC(=O)C1 P45782 [0,1,0,1,0,0|0,0,2]=4 1620 B8R1.6 CCOC1CC(N)C1 L18168 [0,1,0,1,0,0|1,0,0]=3 1621 B8R1.6 CCO[C@H]1C[C@@H](N)C1 L18169 [0,1,0,1,0,0|1,0,0]=3 1622 B8R1.6 CCO[C@H]1C[C@@H](O)C1 P45783 [0,1,0,1,0,0|0,0,0]=2 1623 B8R1.6 CCO[C@H]1C[C@H](N)C1 P43887 [0,1,0,1,0,0|1,0,0]=3 1624 B8R1.6 CCO[C@H]1C[C@H](N)C1 P46453 [0,1,0,1,0,0|1,0,0]=3 1625 B8R1.6 CCO[C@H]1C[C@H](O)C1 P45429 [0,1,0,1,0,0|0,0,0]=2 1626 B8R1.6 CN1CC(CC#N)C1 H-8142 [0,1,0,1,0,0|1,0,1]=4 1627 B8R1.6 CN1CC(CCBr)C1 P47053 [0,1,0,1,0,0|1,0,0]=3 1628 B8R1.6 CN1CC(CCN)C1 L21451 [0,1,0,1,0,0|1,0,0]=3 1629 B8R1.6 CN1CC(CCO)C1 C-3301 [0,1,0,1,0,0|0,0,0]=2 1630 B8R1.6 CNCC1CC(O)C1 P48824 [0,1,0,1,0,0|0,0,0]=2 1631 B8R1.6 CNCC1CN(C)C1 P43154 [0,1,0,1,0,0|2,0,0]=4 1632 B8R1.6 CNCC1CN(C)C1 P44272 [0,1,0,1,0,0|2,0,0]=4 1633 B8R1.6 COCC1CC(=O)C1 P42770 [0,1,0,1,0,0|0,0,2]=4 1634 B8R1.6 COCC1CC(N)C1 O33565 [0,1,0,1,0,0|1,0,0]=3 1635 B8R1.6 COC[C@H]1C[C@@H](N)C1 L14793 [0,1,0,1,0,0|1,0,0]=3 1636 B8R1.6 COC[C@H]1C[C@@H](N)C1 P49871 [0,1,0,1,0,0|1,0,0]=3 1637 B8R1.6 COC[C@H]1C[C@H](N)C1 P46330 [0,1,0,1,0,0|1,0,0]=3 1638 B8R1.6 N#CCC1CC(F)C1 P47241 [0,1,0,1,0,0|1,0,1]=4 1639 B8R1.6 N#CCC1CC(O)C1 P47758 [0,1,0,1,0,0|0,0,1]=3 1640 B8R1.6 N#CC[C@H]1C[C@@H](F)C1 P46065 [0,1,0,1,0,0|1,0,1]=4 1641 B8R1.6 N#CC[C@H]1C[C@@H](O)C1 P46320 [0,1,0,1,0,0|0,0,1]=3 1642 B8R1.6 N#CC[C@H]1C[C@H](F)C1 P46020 [0,1,0,1,0,0|1,0,1]=4 1643 B8R1.6 N#CC[C@H]1C[C@H](O)C1 P46317 [0,1,0,1,0,0|0,0,1]=3 1644 B8R1.6 NC1CN(CCF)C1 P47957 [0,1,0,1,0,0|2,0,0]=4 1645 B8R1.6 NC1CN(CCO)C1 L14398 [0,1,0,1,0,0|1,0,0]=3 1646 B8R1.6 NCCC1CC(F)C1 L14517 [0,1,0,1,0,0|1,0,0]=3 1647 B8R1.6 NCCN1CC(F)C1 P46414 [0,1,0,1,0,0|2,0,0]=4 1648 B8R1.6 NCCN1CC(O)C1 P49007 [0,1,0,1,0,0|1,0,0]=3 1649 B8R1.6 OCCN1CC(F)C1 P47698 [0,1,0,1,0,0|1,0,0]=3 1650 B8R1.8 BrCCC1CCCC1 P40215 [0,1,0,1,0,0|1,0,0]=3 1651 B8R1.8 CCNC1CCOC1 L13931 [0,1,0,1,0,0|0,0,0]=2 1652 B8R1.8 CCOC1CCNC1 P42418 [0,1,0,1,0,0|1,0,0]=3 1653 B8R1.8 CCO[C@@H]1CCNC1 L14178 [0,1,0,1,0,0|1,0,0]=3 1654 B8R1.8 CCO[C@H]1CCNC1 L14118 [0,1,0,1,0,0|1,0,0]=3 1655 B8R1.8 CCO[C@H]1CCNC1 P40747 [0,1,0,1,0,0|1,0,0]=3 1656 B8R1.8 CNCC1CCCC1 P38031 [0,1,0,1,0,0|1,0,0]=3 1657 B8R1.8 CNCC1CCOC1 L14905 [0,1,0,1,0,0|0,0,0]=2 1658 B8R1.8 CNC[C@@H]1CCCN1 P49799 [0,1,0,1,0,0|2,0,0]=4 1659 B8R1.8 CNC[C@H]1CCCN1 P45316 [0,1,0,1,0,0|2,0,0]=4 1660 B8R1.8 COCC1CCCN1 O28849 [0,1,0,1,0,0|2,0,0]=4 1661 B8R1.8 COCC1CCNC1 L18134 [0,1,0,1,0,0|1,0,0]=3 1662 B8R1.8 COCC1CCNC1 L18135 [0,1,0,1,0,0|1,0,0]=3 1663 B8R1.8 COC[C@@H]1CCCN1 L14013 [0,1,0,1,0,0|2,0,0]=4 1664 B8R1.8 COC[C@@H]1CCNC1 L22515 [0,1,0,1,0,0|1,0,0]=3 1665 B8R1.8 COC[C@@H]1CCNC1 S72614 [0,1,0,1,0,0|1,0,0]=3 1666 B8R1.8 COC[C@H]1CCCN1 P35868 [0,1,0,1,0,0|2,0,0]=4 1667 B8R1.8 COC[C@H]1CCNC1 L22047 [0,1,0,1,0,0|1,0,0]=3 1668 B8R1.8 CSCC1CCNC1 Q59194 [0,1,0,1,0,0|1,0,0]=3 1669 B8R1.8 ICCC1OCCO1 P35885 [0,1,0,1,0,0|2,0,0]=4 1670 B8R1.8 N#CCC1CCCC1 P37327 [0,1,0,1,0,0|1,0,1]=4 1671 B8R1.8 NCCC1CCCC1 P37297 [0,1,0,1,0,0|1,0,0]=3 1672 B8R1.8 NNCC1CCCC1 P44364 [0,1,0,1,0,0|2,0,0]=4 1673 B8R1.8 NNCC1CCCC1 Q59135 [0,1,0,1,0,0|2,0,0]=4 1674 B8R1.8 O=CCC1CCCC1 P37401 [0,1,0,1,0,0|0,0,2]=4 1675 B8R1.8 OCCC1CCCC1 P36182 [0,1,0,1,0,0|0,0,0]=2 1676 B8R1.8 OCCC1CCCN1 G-5919 [0,1,0,1,0,0|0,0,0]=2 1677 B8R1.8 OCCC1CCNC1 G-7310 [0,1,0,1,0,0|0,0,0]=2 1678 B8R1.11 CC1CCCC1CN L20508 [0,1,0,1,0,0|1,0,0]=3 1679 B8R1.11 CCC1CNCC1O Q59343 [0,1,0,1,0,0|1,0,0]=3 1680 B8R1.11 CC[C@@H]1CNC[C@@H]1F Q56055 [0,1,0,1,0,0|1,0,0]=3 1681 B8R1.11 CC[C@@H]1CNC[C@@H]1F Q61812 [0,1,0,1,0,0|1,0,0]=3 1682 B8R1.11 CN1CCCC1CN P39264 [0,1,0,1,0,0|2,0,0]=4 1683 B8R1.11 CN1CCC[C@@H]1CN C-3654 [0,1,0,1,0,0|2,0,0]=4 1684 B8R1.11 CN1CCC[C@@H]1CO P44684 [0,1,0,1,0,0|1,0,0]=3 1685 B8R1.11 CN1CCC[C@H]1CN C-3570 [0,1,0,1,0,0|2,0,0]=4 1686 B8R1.11 CN[C@@H]1CCC[C@H]1O Q55268 [0,1,0,1,0,0|2,0,0]=4 1687 B8R1.11 CN[C@@H]1CCC[C@H]1O Q61729 [0,1,0,1,0,0|2,0,0]=4 1688 B8R1.11 COC1CCCC1N Q59137 [0,1,0,1,0,0|2,0,0]=4 1689 B8R1.11 COC1CCCC1N Q59138 [0,1,0,1,0,0|2,0,0]=4 1690 B8R1.11 CO[C@@H]1CCC[C@@H]1N Q52259 [0,1,0,1,0,0|2,0,0]=4 1691 B8R1.11 CO[C@@H]1CCC[C@@H]1N Q52260 [0,1,0,1,0,0|2,0,0]=4 1692 B8R1.11 CO[C@@H]1CCC[C@H]1N Q56991 [0,1,0,1,0,0|2,0,0]=4 1693 B8R1.11 CO[C@@H]1CCN[C@H]1C Q61887 [0,1,0,1,0,0|1,0,0]=3 1694 B8R1.11 CO[C@@H]1CNC[C@@H]1F Q52145 [0,1,0,1,0,0|2,0,0]=4 1695 B8R1.11 CO[C@@H]1CNC[C@@H]1F Q63887 [0,1,0,1,0,0|2,0,0]=4 1696 B8R1.11 CO[C@@H]1CNC[C@@H]1O L13358 [0,1,0,1,0,0|2,0,0]=4 1697 B8R1.11 CO[C@@H]1CNC[C@@H]1O Q52624 [0,1,0,1,0,0|2,0,0]=4 1698 B8R1.11 CO[C@@H]1CNC[C@H]1F Q63888 [0,1,0,1,0,0|2,0,0]=4 1699 B8R1.11 CO[C@@H]1CNC[C@H]1N Q61621 [0,1,0,1,0,0|2,0,0]=4 1700 B8R1.11 CO[C@@H]1CNC[C@H]1O Q52683 [0,1,0,1,0,0|2,0,0]=4 1701 B8R1.11 CO[C@@H]1CNC[C@H]1O Q52684 [0,1,0,1,0,0|2,0,0]=4 1702 B8R1.11 CO[C@H]1CCC[C@@H]1N Q52257 [0,1,0,1,0,0|2,0,0]=4 1703 B8R1.11 CO[C@H]1CCC[C@@H]1N Q56990 [0,1,0,1,0,0|2,0,0]=4 1704 B8R1.11 CO[C@H]1CNC[C@@H]1F G-6499 [0,1,0,1,0,0|2,0,0]=4 1705 B8R1.11 CO[C@H]1CNC[C@@H]1F Q63889 [0,1,0,1,0,0|2,0,0]=4 1706 B8R1.11 CO[C@H]1CNC[C@@H]1N Q61620 [0,1,0,1,0,0|2,0,0]=4 1707 B8R1.11 CO[C@H]1CNC[C@@H]1O G-7975 [0,1,0,1,0,0|2,0,0]=4 1708 B8R1.11 CO[C@H]1CNC[C@@H]1O Q52681 [0,1,0,1,0,0|2,0,0]=4 1709 B8R1.11 CO[C@H]1CNC[C@@H]1O Q52682 [0,1,0,1,0,0|2,0,0]=4 1710 B8R1.11 CO[C@H]1CNC[C@@H]1O Q52685 [0,1,0,1,0,0|2,0,0]=4 1711 B8R1.11 CO[C@H]1CNC[C@H]1F Q55426 [0,1,0,1,0,0|2,0,0]=4 1712 B8R1.11 CO[C@H]1CNC[C@H]1F Q63886 [0,1,0,1,0,0|2,0,0]=4 1713 B8R1.11 CO[C@H]1CNC[C@H]1O Q52625 [0,1,0,1,0,0|2,0,0]=4 1714 B8R1.11 CO[C@H]1CNC[C@H]1O Q52626 [0,1,0,1,0,0|2,0,0]=4 1715 B8R1.11 CSC1CCCC1N Q59163 [0,1,0,1,0,0|2,0,0]=4 1716 B8R1.11 C[C@@H]1NCC[C@@H]1CO Q62184 [0,1,0,1,0,0|0,0,0]=2 1717 B8R1.11 C[C@H]1CNC[C@@H]1CO O33112 [0,1,0,1,0,0|0,0,0]=2 1718 B8R1.11 C[C@H]1CNC[C@@H]1CO Q61714 [0,1,0,1,0,0|0,0,0]=2 1719 B8R1.11 C[C@H]1CNC[C@@H]1CO S72706 [0,1,0,1,0,0|0,0,0]=2 1720 B8R1.11 NCC1CCCC1N Q59144 [0,1,0,1,0,0|2,0,0]=4 1721 B8R1.11 NCC1CCCC1O Q59145 [0,1,0,1,0,0|2,0,0]=4 1722 B8R1.11 NC[C@@H]1CCC[C@H]1O Q52811 [0,1,0,1,0,0|2,0,0]=4 1723 B8R1.11 NC[C@@H]1COC[C@@H]1O I-9678 [0,1,0,1,0,0|1,0,0]=3 1724 B8R1.11 NC[C@H]1CCC[C@@H]1O Q52812 [0,1,0,1,0,0|2,0,0]=4 1725 B8R1.11 NC[C@H]1COC[C@@H]1O I-9779 [0,1,0,1,0,0|1,0,0]=3 1726 B8R1.11 O=C1NCCC1CO L13115 [0,1,0,1,0,0|1,0,1]=4 1727 B8R1.11 OCC1NCCC1F Q59328 [0,1,0,1,0,0|1,0,0]=3 1728 B8R1.11 OC[C@@H]1CC=C[C@@H]1O Q55742 [0,1,0,1,0,0|1,0,1]=4 1729 B8R1.11 OC[C@H]1NCC[C@@H]1O S72491 [0,1,0,1,0,0|1,0,0]=3 1730 B8R1.66 C(=O)CC1(C)CCC1 P46847 [0,1,0,1,0,0|0,0,2]=4 1731 B8R1.66 CC1(CCN)COC1 M23052 [0,1,0,1,0,0|1,0,0]=3 1732 B8R1.66 CC1(CON)COC1 Q57239 [0,1,0,1,0,0|2,0,0]=4 1733 B8R1.66 CCCC1(O)CNC1 H-8422 [0,1,0,1,0,0|2,0,0]=4 1734 B8R1.66 CCOC1(C)CNC1 P40382 [0,1,0,1,0,0|2,0,0]=4 1735 B8R1.66 CNCC1(C)COC1 G-6295 [0,1,0,1,0,0|2,0,0]=4 1736 B8R1.66 COCC1(C)CNC1 P47759 [0,1,0,1,0,0|2,0,0]=4 1737 B8R1.66 COCC1(C)CNC1 P47846 [0,1,0,1,0,0|2,0,0]=4 1738 B8R1.66 COCC1(N)CCC1 P49294 [0,1,0,1,0,0|2,0,0]=4 1739 B8R1.66 COCC1(N)CCC1 P49768 [0,1,0,1,0,0|2,0,0]=4 1740 B8R1.66 N#CCC1(N)CCC1 P48926 [0,1,0,1,0,0|1,0,1]=4 1741 B8R1.66 N#CCC1(O)CCC1 P48911 [0,1,0,1,0,0|1,0,1]=4 1742 B8R1.66 NC1(CCO)CCC1 L21423 [0,1,0,1,0,0|0,0,0]=2 1743 B8R1.66 NC1(CCO)CCC1 P48533 [0,1,0,1,0,0|0,0,0]=2 1744 B8R1.66 NC1(CCO)COC1 G-6613 [0,1,0,1,0,0|1,0,0]=3 1745 B8R1.66 NC1(CCO)COC1 H-8069 [0,1,0,1,0,0|1,0,0]=3 1746 B8R1.66 NCCC1(F)CCC1 P47050 [0,1,0,1,0,0|1,0,0]=3 1747 B8R1.66 NCCC1(O)CCC1 P43162 [0,1,0,1,0,0|1,0,0]=3 1748 B8R1.66 NCCC1(O)CCC1 P48910 [0,1,0,1,0,0|1,0,0]=3 1749 B8R1.66 NCCC1(O)CNC1 P48129 [0,1,0,1,0,0|2,0,0]=4 1750 B8R1.66 NCCC1(O)CNC1 P48144 [0,1,0,1,0,0|2,0,0]=4 1751 B8R1.66 NCCC1(O)COC1 Q55862 [0,1,0,1,0,0|2,0,0]=4 1752 B8R1.66 OCCC1(F)COC1 Q56661 [0,1,0,1,0,0|1,0,0]=3 1753 B8R1.66 OCCC1(O)CCC1 P45126 [0,1,0,1,0,0|0,0,0]=2 1754 B8R1.66 OCCC1(O)COC1 P47344 [0,1,0,1,0,0|1,0,0]=3 1755 B8R1.12 COC1CCC1CN P44996 [0,1,0,1,0,0|1,0,0]=3 1756 B8R1.12 COC1CCC1CO P50853 [0,1,0,1,0,0|0,0,0]=2 1757 B8R1.12 CO[C@@H]1CC[C@@H]1CO P50822 [0,1,0,1,0,0|0,0,0]=2 1758 B8R1.12 CO[C@@H]1CC[C@H]1CO P50819 [0,1,0,1,0,0|0,0,0]=2 1759 B8R1.12 NCC1CCC1CF P48302 [0,1,0,1,0,0|1,0,0]=3 1760 B8R1.12 OCC1CCC1CO P45532 [0,1,0,1,0,0|0,0,0]=2 1761 B8R1.28 CC(C)(CO)C1CC1 L20131 [0,1,0,1,0,0|2,0,0]=4 1762 B8R1.28 CCC(C)(N)C1CC1 L20914 [0,1,0,1,0,0|1,0,0]=3 1763 B8R1.48 CC1(C)CCC1CO P45354 [0,1,0,1,0,0|0,0,0]=2 1764 B8R1.48 CC1(C)COC1CN L22314 [0,1,0,1,0,0|2,0,0]=4 1765 B8R1.48 CC1(C)COC1CO Q62789 [0,1,0,1,0,0|1,0,0]=3 1766 B8R1.48 CC1(C)OCC1CO Q52794 [0,1,0,1,0,0|1,0,0]=3 1767 B8R1.48 NCC1CCC1(F)F L21589 [0,1,0,1,0,0|2,0,0]=4 1768 B8R1.48 NCC1CCC1(F)F P47835 [0,1,0,1,0,0|2,0,0]=4 1769 B8R1.48 OCC1CCC1(F)F G-6885 [0,1,0,1,0,0|1,0,0]=3 1770 B8R1.48 OCC1NCC1(F)F P43793 [0,1,0,1,0,0|2,0,0]=4 1771 B8R1.72 CC1(C)CCCCN1 Q52541 [0,1,0,1,0,0|2,0,0]=4 1772 B8R1.72 CC1(C)CCNCC1 C-3355 [0,1,0,1,0,0|1,0,0]=3 1773 B8R1.72 CC1(F)CCCNC1 Q54394 [0,1,0,1,0,0|2,0,0]=4 1774 B8R1.72 CC1(F)CCNCC1 Q54423 [0,1,0,1,0,0|1,0,0]=3 1775 B8R1.72 CC1(N)CCCOC1 H-8277 [0,1,0,1,0,0|2,0,0]=4 1776 B8R1.72 CC1(N)CCCOC1 H-8277-1 [0,1,0,1,0,0|2,0,0]=4 1777 B8R1.72 CC1(N)CCOCC1 G-6788 [0,1,0,1,0,0|0,0,0]=2 1778 B8R1.72 CC1(N)CCOCC1 Q51895 [0,1,0,1,0,0|0,0,0]=2 1779 B8R1.72 CC1(N)CCSCC1 Q61458 [0,1,0,1,0,0|0,1,0]=3 1780 B8R1.72 CC1(O)CCCNC1 A-831 [0,1,0,1,0,0|2,0,0]=4 1781 B8R1.72 CC1(O)CCCNC1 M22629 [0,1,0,1,0,0|2,0,0]=4 1782 B8R1.72 CC1(O)CCCOC1 Q65022 [0,1,0,1,0,0|2,0,0]=4 1783 B8R1.72 CC1(O)CCNCC1 A-829 [0,1,0,1,0,0|1,0,0]=3 1784 B8R1.72 CC1(O)CCOCC1 P36263 [0,1,0,1,0,0|0,0,0]=2 1785 B8R1.72 C[C@@]1(O)CCCNC1 Q65190 [0,1,0,1,0,0|2,0,0]=4 1786 B8R1.72 C[C@]1(O)CCCNC1 P44137 [0,1,0,1,0,0|2,0,0]=4 1787 B8R1.72 C[Si]1(C)CCNCC1 L21960 [0,1,0,1,0,0|1,1,0]=4 1788 B8R1.72 FC1(F)CCNCC1 C-3220 [0,1,0,1,0,0|2,0,0]=4 1789 B8R1.82 CNCC1(CO)CC1 P34805 [0,1,0,1,0,0|2,0,0]=4 1790 B8R1.82 COC1(CCN)CC1 P50313 [0,1,0,1,0,0|1,0,0]=3 1791 B8R1.82 N#CC1(CCO)CC1 L14732 [0,1,0,1,0,0|0,0,1]=3 1792 B8R1.82 N#CCC1(CBr)CC1 L22308 [0,1,0,1,0,0|1,0,1]=4 1793 B8R1.60 CCC1(C=O)CCC1 P44073 [0,1,0,1,0,0|1,0,1]=4 1794 B8R1.60 CCC1(CC)CNC1 P44699 [0,1,0,1,0,0|2,0,0]=4 1795 B8R1.60 CCC1(CC)CNC1 P44918 [0,1,0,1,0,0|2,0,0]=4 1796 B8R1.60 CCC1(CN)CCC1 P44713 [0,1,0,1,0,0|1,0,0]=3 1797 B8R1.60 CCC1(CN)COC1 G-7247 [0,1,0,1,0,0|2,0,0]=4 1798 B8R1.60 CCC1(CO)CNC1 P46693 [0,1,0,1,0,0|2,0,0]=4 1799 B8R1.60 CCC1(CO)CNC1 P46694 [0,1,0,1,0,0|2,0,0]=4 1800 B8R1.60 CCC1(CO)COC1 I-9059 [0,1,0,1,0,0|2,0,0]=4 1801 B8R1.60 CNC1(CN)CCC1 P48035 [0,1,0,1,0,0|2,0,0]=4 1802 B8R1.60 CNC1(CO)CCC1 P49820 [0,1,0,1,0,0|2,0,0]=4 1803 B8R1.60 COC1(CN)CCC1 P48127 [0,1,0,1,0,0|2,0,0]=4 1804 B8R1.60 COC1(CN)CCC1 P48138 [0,1,0,1,0,0|2,0,0]=4 1805 B8R1.60 COC1(OC)CCC1 P45609 [0,1,0,1,0,0|2,0,0]=4 1806 B8R1.60 NCC1(CN)CCC1 L14257 [0,1,0,1,0,0|2,0,0]=4 1807 B8R1.60 NCC1(CO)CCC1 G-6313 [0,1,0,1,0,0|2,0,0]=4 1808 B8R1.60 NCC1(CO)CCC1 P42587 [0,1,0,1,0,0|2,0,0]=4 1809 B8R1.60 OCC1(CO)CCC1 L21609 [0,1,0,1,0,0|2,0,0]=4 1810 B8R2.11 FC1C2CNCC12 Q54401 [0,0,0,2,0,0|2,0,0]=4 1811 B8R2.11 NC1C2CCOC12 Q64151 [0,0,0,2,0,0|1,0,0]=3 1812 B8R2.11 NC1C2CNCC12 L20026 [0,0,0,2,0,0|2,0,0]=4 1813 B8R2.11 NC1C2COCC12 F-4873 [0,0,0,2,0,0|1,0,0]=3 1814 B8R2.11 NC1C2COCC12 Q59465 [0,0,0,2,0,0|1,0,0]=3 1815 B8R2.11 OC1C2CNCC12 G-7140 [0,0,0,2,0,0|2,0,0]=4 1816 B8R2.11 OC1C2CNCC12 Q64221 [0,0,0,2,0,0|2,0,0]=4 1817 B8R2.11 [C@@H]12CNC[C@@H]1[C@H]2O Q56282 [0,0,0,2,0,0|2,0,0]=4 1818 B8R2.11 [C@H]12COC[C@H]1[C@@H]2N L14585 [0,0,0,2,0,0|1,0,0]=3 1819 B8R2.11 [C@H]12COC[C@H]1[C@@H]2N Q52150 [0,0,0,2,0,0|1,0,0]=3 1820 B8R2.22 C1CC2CNC2C1 Q52162 [0,0,0,2,0,0|2,0,0]=4 1821 B8R2.22 C1CC2CNCC12 G-7390 [0,0,0,2,0,0|1,0,0]=3 1822 B8R2.22 C1CC2CNCC12 Q56567 [0,0,0,2,0,0|1,0,0]=3 1823 B8R2.22 C1NC2COCC12 Q56927 [0,0,0,2,0,0|1,0,0]=3 1824 B8R2.34 C1CC2CC1CN2 L21596 [0,0,0,2,0,0|1,0,0]=3 1825 B8R2.34 C1CC2CC1CN2 P45371 [0,0,0,2,0,0|1,0,0]=3 1826 B8R2.34 C1CC2CCC1N2 C-3483 [0,0,0,2,0,0|2,0,0]=4 1827 B8R2.34 C1CC2CCC1N2 G-7486 [0,0,0,2,0,0|2,0,0]=4 1828 B8R2.34 C1C[C@@H]2C[C@H]1CN2 Q53432 [0,0,0,2,0,0|1,0,0]=3 1829 B8R2.34 C1C[C@@H]2C[C@H]1CN2 Q53433 [0,0,0,2,0,0|1,0,0]=3 1830 B8R2.34 C1C[C@H]2CN[C@@H]1C2 Q53434 [0,0,0,2,0,0|1,0,0]=3 1831 B8R2.34 C1C[C@H]2CN[C@@H]1C2 Q53435 [0,0,0,2,0,0|1,0,0]=3 1832 B8R2.34 C1N[C@@H]2CN[C@H]1C2 P45510 [0,0,0,2,0,0|2,0,0]=4 1833 B8R2.34 C1N[C@@H]2CN[C@H]1C2 P48802 [0,0,0,2,0,0|2,0,0]=4 1834 B8R2.34 C1N[C@@H]2CN[C@H]1C2 P48808 [0,0,0,2,0,0|2,0,0]=4 1835 B8R2.34 C1OC2CNC1C2 F-4204 [0,0,0,2,0,0|1,0,0]=3 1836 B8R2.34 C1OC2CNC1C2 I-9390 [0,0,0,2,0,0|1,0,0]=3 1837 B8R2.34 C1OC2CNC1C2 P44410 [0,0,0,2,0,0|1,0,0]=3 1838 B8R2.34 C1O[C@@H]2CN[C@H]1C2 L21617 [0,0,0,2,0,0|1,0,0]=3 1839 B8R2.34 C1O[C@H]2CN[C@@H]1C2 I-9936 [0,0,0,2,0,0|1,0,0]=3 1840 B8R2.34 C1SC2CNC1C2 L20964 [0,0,0,2,0,0|1,1,0]=4 1841 B8R2.34 C1S[C@@H]2CN[C@H]1C2 P49104 [0,0,0,2,0,0|1,1,0]=4 1842 B8R2.34 C1S[C@@H]2CN[C@H]1C2 P49118 [0,0,0,2,0,0|1,1,0]=4 1843 B8R2.34 C1S[C@H]2CN[C@@H]1C2 P46737 [0,0,0,2,0,0|1,1,0]=4 1844 B8R2.34 [C@@H]12CO[C@@H](CN1)C2 F-4070 [0,0,0,2,0,0|1,0,0]=3 1845 B8R2.34 [C@@H]12CO[C@@H](CN1)C2 I-9586 [0,0,0,2,0,0|1,0,0]=3 1846 B8R2.34 [C@H]12CO[C@H](CN1)C2 G-6560 [0,0,0,2,0,0|1,0,0]=3 1847 B8R2.34 [C@H]12CO[C@H](CN1)C2 G-6560-1 [0,0,0,2,0,0|1,0,0]=3 1848 B8R2.55 C1CC2(CC2)CN1 G-6196 [0,0,0,2,0,0|1,0,0]=3 1849 B8R2.55 C1CC2(CC2)CN1 Q56343 [0,0,0,2,0,0|1,0,0]=3 1850 B8R2.55 C1CC2(CO1)CO2 Q61784 [0,0,0,2,0,0|1,0,0]=3 1851 B8R2.55 C1CCC2(C1)CO2 Q61872 [0,0,0,2,0,0|2,0,0]=4 1852 B8R2.55 C1CNC2(C1)CC2 G-6212 [0,0,0,2,0,0|2,0,0]=4 1853 B8R2.4 O=C1CC2CC1C2 P45525 [0,0,0,2,0,0|0,0,2]=4 1854 B8R2.7 NC12CCC(C1)C2 P44925 [0,0,0,2,0,0|1,0,0]=3 1855 B8R2.7 NC12CNC(C1)C2 P45950 [0,0,0,2,0,0|2,0,0]=4 1856 B8R2.18 NC1CC2CC2C1 F-4590 [0,0,0,2,0,0|1,0,0]=3 1857 B8R2.18 NC1CC2CC2C1 L22469 [0,0,0,2,0,0|1,0,0]=3 1858 B8R2.18 N[C@H]1C[C@@H]2C[C@@H]2C1 Q55517 [0,0,0,2,0,0|1,0,0]=3 1859 B8R2.18 OC1CC2CC2C1 P44932 [0,0,0,2,0,0|0,0,0]=2 1860 B8R2.18 O[C@H]1C[C@@H]2C[C@@H]2C1 Q55704 [0,0,0,2,0,0|0,0,0]=2 1861 B8R2.38 NC1CCC2CC12 Q56246 [0,0,0,2,0,0|1,0,0]=3 1862 B8R2.38 NC1CCC2CC12 Q56247 [0,0,0,2,0,0|1,0,0]=3 1863 B8R2.38 O=C1CC[C@@H]2C[C@H]12 Q52888 [0,0,0,2,0,0|0,0,2]=4 1864 B8R2.38 O=C1CC[C@H]2C[C@@H]12 Q52887 [0,0,0,2,0,0|0,0,2]=4 1865 B8R2.23 C1NCC2CC1C2 G-6134 [0,0,0,2,0,0|2,0,0]=4 1866 B8R2.23 C1NCC2CC1C2 P43854 [0,0,0,2,0,0|2,0,0]=4 1867 B8R2.25 C1CC2OC2CO1 L14578 [0,0,0,2,0,0|1,0,0]=3 1868 B8R2.25 C1CCC2NC2C1 Q58068 [0,0,0,2,0,0|2,0,0]=4 1869 B8R2.25 C1CNC2CC2C1 Q57310 [0,0,0,2,0,0|2,0,0]=4 1870 B8R2.25 C1CN[C@H]2C[C@H]2C1 Q58108 [0,0,0,2,0,0|2,0,0]=4 1871 B8R2.45 CC1OC12CCC2 Q56043 [0,0,0,2,0,0|2,0,0]=4 1872 B8R2.1 C1CC(C2CC2)N1 F-4827 [0,0,0,2,0,0|2,0,0]=4 1873 B8R2.42 C1CC2(C1)CCN2 G-6263 [0,0,0,2,0,0|1,0,0]=3 1874 B8R2.42 C1CC2(C1)CNC2 10163 [0,0,0,2,0,0|2,0,0]=4 1875 B8R2.42 C1CC2(C1)CNC2 C-2769 [0,0,0,2,0,0|2,0,0]=4 1876 B8R2.42 C1CC2(C1)CNC2 L20970 [0,0,0,2,0,0|2,0,0]=4 1877 B8R2.42 C1CC2(C1)CNC2 Q51848 [0,0,0,2,0,0|2,0,0]=4 1878 B8R2.42 C1CC2(CNC2)O1 L14355 [0,0,0,2,0,0|1,0,0]=3 1879 B8R2.42 C1CC2(CNC2)O1 L22092 [0,0,0,2,0,0|1,0,0]=3 1880 B8R2.42 C1CC2(CNC2)O1 Q56370 [0,0,0,2,0,0|1,0,0]=3 1881 B8R2.42 C1CC2(CNC2)O1 Q56371 [0,0,0,2,0,0|1,0,0]=3 1882 B8R2.42 C1CC2(CNC2)O1 Q56372 [0,0,0,2,0,0|1,0,0]=3 1883 B8R2.42 C1CC2(CNC2)S1 P48240 [0,0,0,2,0,0|1,1,0]=4 1884 B8R2.42 C1CC2(CNC2)S1 Q53949 [0,0,0,2,0,0|1,1,0]=4 1885 B8R2.42 C1CC2(COC2)N1 L22016 [0,0,0,2,0,0|2,0,0]=4 1886 B8R2.42 C1CC2(COC2)N1 O29331 [0,0,0,2,0,0|2,0,0]=4 1887 B8R2.42 C1CC2(COC2)N1 Q56377 [0,0,0,2,0,0|2,0,0]=4 1888 B8R2.42 C1CC2(COC2)N1 Q56378 [0,0,0,2,0,0|2,0,0]=4 1889 B8R2.19 NC1CCC12CC2 Q56206 [0,0,0,2,0,0|2,0,0]=4 1890 B8R2.19 NC1CCC12CC2 Q56207 [0,0,0,2,0,0|2,0,0]=4 1891 B8R2.19 OC1CCC12CC2 Q56205 [0,0,0,2,0,0|2,0,0]=4 1892 B8R2.20 NCC1CC12CC2 Q57346 [0,0,0,2,0,0|1,0,0]=3 1893 B8R2.20 O=CC1CC12CC2 Q57295 [0,0,0,2,0,0|0,0,2]=4 1894 B8R2.31 BrCC12CC(C1)C2 L14835 [0,0,0,2,0,0|2,0,0]=4 1895 B8R2.31 CNC12CC(C1)C2 P43355 [0,0,0,2,0,0|2,0,0]=4 1896 B8R2.31 CNC12CC(C1)C2 P46792 [0,0,0,2,0,0|2,0,0]=4 1897 B8R2.31 NCC12CC(C1)C2 P46232 [0,0,0,2,0,0|2,0,0]=4 1898 B8R2.31 OCC12CC(C1)C2 L14894 [0,0,0,2,0,0|2,0,0]=4 1899 B8R2.53 NC1CC2(CC2)C1 Q58155 [0,0,0,2,0,0|1,0,0]=3 1900 B8R2.53 NC1CC2(CC2)C1 Q58156 [0,0,0,2,0,0|1,0,0]=3 1901 B8R2.53 O=C1CC2(CC2)C1 P46452 [0,0,0,2,0,0|0,0,2]=4 1902 B8R2.41 NC1(C2CC2)CC1 Q69349 [0,0,0,2,0,0|2,0,0]=4