0 B5R0.2 BrCC#CCBr O31222 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.2 C#CCCCI P39399 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 C#CCCCO P37563 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.2 C#CCCNC L20446 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.2 C#CCNCC P37598 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.2 C#CCOCC O29883 [0,0,0,0,0,0|1,1,1]=3 6 B5R0.2 CCNCCCl L21040 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.2 CNCCSC M23087 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.2 CSCCCN P39434 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.2 NCC#CCN L19650 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.2 NCC#CCO L20035 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.2 NCCCCS L19142 [0,0,0,0,0,0|2,1,0]=3 12 B5R0.2 [N-]=[N+]=NCCN P42423 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.2 [N-]=[N+]=NCCO P41031 [0,0,0,0,0,0|3,0,0]=3 14 B4R0.2 C#CCCI P38108 [1,0,0,0,0,0|1,0,2]=4 15 B4R0.2 C#CCCN O34440 [1,0,0,0,0,0|1,0,2]=4 16 B4R0.2 C#CCNC P38619 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.2 C#COCC P35055 [1,0,0,0,0,0|0,1,2]=4 18 B4R0.2 C=CCCN L22153 [1,0,0,0,0,0|1,0,2]=4 19 B4R0.2 CC#CCBr P38739 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.2 CCCNN O30752 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.2 CNCCBr O34465 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.2 COCC=O F-4461 [1,0,0,0,0,0|0,1,2]=4 23 B4R0.2 COCCI O28025 [1,0,0,0,0,0|1,1,0]=3 24 B4R0.2 CSCCBr O31085 [1,0,0,0,0,0|1,0,0]=2 25 B4R0.2 CSCCN P36563 [1,0,0,0,0,0|1,0,0]=2 26 B4R0.2 NCCCS A-986 [1,0,0,0,0,0|1,1,0]=3 27 B4R0.2 NCCCS M15465 [1,0,0,0,0,0|1,1,0]=3 28 B6R0.1 C#CC(O)CCC P42817 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.1 CCC(=O)CC#N P38761 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.1 CCC(S)CCO O29430 [0,1,0,0,0,0|1,0,0]=2 31 B6R0.1 CCC[C@@H](N)CO P35977 [0,1,0,0,0,0|1,0,0]=2 32 B6R0.1 CCC[C@H](N)CO P39535 [0,1,0,0,0,0|1,0,0]=2 33 B6R0.1 CCN(C)CCO Q66070 [0,1,0,0,0,0|1,0,0]=2 34 B6R0.1 CCNC(=O)CN P39222 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.1 CCNC(=O)CO O31312 [0,1,0,0,0,0|1,0,1]=3 36 B6R0.1 CCOC(=N)CCl P38507 [0,1,0,0,0,0|1,1,1]=4 37 B6R0.1 CNC(=O)CCCl P38167 [0,1,0,0,0,0|3,0,0]=4 38 B6R0.1 CNC(=O)CCN P37692 [0,1,0,0,0,0|3,0,0]=4 39 B6R0.4 C#CCCC(C)O L18987 [0,1,0,0,0,0|1,0,2]=4 40 B6R0.4 C#CCNC(C)C L20531 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.4 C#CCOC(C)C O29863 [0,1,0,0,0,0|1,1,1]=4 42 B6R0.4 CC(Br)CCC#N L20214 [0,1,0,0,0,0|2,0,1]=4 43 B6R0.4 CC(C)CCON L20789 [0,1,0,0,0,0|3,0,0]=4 44 B6R0.4 CC(C)NCC#N O29997 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.4 CC(C)NCC#N O32001 [0,1,0,0,0,0|2,0,1]=4 46 B6R0.4 CC(C)NCCCl O34399 [0,1,0,0,0,0|2,0,0]=3 47 B6R0.4 CCNCC(=O)O P37534 [0,1,0,0,0,0|1,0,1]=3 48 B6R0.4 CCNCC(N)=O P36580 [0,1,0,0,0,0|1,0,2]=4 49 B6R0.4 CN(C)CCCBr O34500 [0,1,0,0,0,0|3,0,0]=4 50 B6R0.4 CNCCC(=O)O P36779 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.4 CNCCC(=O)O P39205 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.4 CNCCC(C)O P38146 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.6 BrCCNCCBr M15186 [0,1,0,0,0,0|2,0,0]=3 54 B6R0.6 C#CCCCCI P39398 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.6 C#CCCCCN O31570 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.6 C#CCCCNC L19187 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.6 C#CCOCCN P42183 [0,1,0,0,0,0|1,1,1]=4 58 B6R0.6 CNCCCCN L19491 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.6 CNCCCOC P37437 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.6 COCCCCN O29739 [0,1,0,0,0,0|2,0,0]=3 61 B6R0.6 NCCOCCN P39125 [0,1,0,0,0,0|1,1,0]=3 62 B6R0.6 OCCOCCBr P37296 [0,1,0,0,0,0|0,1,0]=2 63 B6R0.6 OCCOCCI P41754 [0,1,0,0,0,0|0,1,0]=2 64 B6R0.6 [N-]=[N+]=NCCCO Q66001 [0,1,0,0,0,0|3,0,0]=4 65 B6R1.1 C1=CCNCC1 C-2421 [0,0,0,1,0,0|2,0,1]=4 66 B6R1.1 C1=CCOCC1 G-7030 [0,0,0,1,0,0|1,0,1]=3 67 B6R1.2 BrC1CCOC1 C-3309 [0,0,0,1,0,0|1,1,0]=3 68 B6R1.2 CC1CCCN1 Q61737 [0,0,0,1,0,0|2,0,0]=3 69 B6R1.2 CC1CCNC1 M22664 [0,0,0,1,0,0|2,0,0]=3 70 B6R1.2 C[C@@H]1CCCN1 L14631 [0,0,0,1,0,0|2,0,0]=3 71 B6R1.2 C[C@@H]1CCNC1 L13628 [0,0,0,1,0,0|2,0,0]=3 72 B6R1.2 C[C@H]1CCNC1 L14084 [0,0,0,1,0,0|2,0,0]=3 73 B6R1.2 ClC1CCNC1 P42791 [0,0,0,1,0,0|2,0,0]=3 74 B6R1.2 FC1CCNC1 A-349 [0,0,0,1,0,0|2,0,0]=3 75 B6R1.2 FC1CCNC1 C-2208 [0,0,0,1,0,0|2,0,0]=3 76 B6R1.2 FC1CCNC1 P51370 [0,0,0,1,0,0|2,0,0]=3 77 B6R1.2 F[C@@H]1CCNC1 O33274 [0,0,0,1,0,0|2,0,0]=3 78 B6R1.2 F[C@H]1CCNC1 A-348 [0,0,0,1,0,0|2,0,0]=3 79 B6R1.2 F[C@H]1CCNC1 L22005 [0,0,0,1,0,0|2,0,0]=3 80 B6R1.2 IC1CCCC1 I-9679 [0,0,0,1,0,0|2,0,0]=3 81 B6R1.2 IC1CCOC1 C-3308 [0,0,0,1,0,0|1,1,0]=3 82 B6R1.2 I[C@@H]1CCOC1 G-5348 [0,0,0,1,0,0|1,1,0]=3 83 B6R1.2 I[C@H]1CCOC1 G-5349 [0,0,0,1,0,0|1,1,0]=3 84 B6R1.2 NC1CC=CC1 F-4367 [0,0,0,1,0,0|2,0,1]=4 85 B6R1.2 NC1CC=CC1 Q57040 [0,0,0,1,0,0|2,0,1]=4 86 B6R1.2 NC1CCOC1 B-1171 [0,0,0,1,0,0|1,1,0]=3 87 B6R1.2 NC1CCOC1 P39935 [0,0,0,1,0,0|1,1,0]=3 88 B6R1.2 NN1CCCC1 M23462 [0,0,0,1,0,0|3,0,0]=4 89 B6R1.2 N[C@@H]1CCOC1 F-4072 [0,0,0,1,0,0|1,1,0]=3 90 B6R1.2 N[C@@H]1CCOC1 G-5144 [0,0,0,1,0,0|1,1,0]=3 91 B6R1.2 N[C@H]1CCOC1 F-4071 [0,0,0,1,0,0|1,1,0]=3 92 B6R1.2 N[C@H]1CCOC1 G-5145 [0,0,0,1,0,0|1,1,0]=3 93 B6R1.2 O=C1CCNC1 C-2247 [0,0,0,1,0,0|1,0,2]=4 94 B6R1.2 O=C1CCNC1 S72535 [0,0,0,1,0,0|1,0,2]=4 95 B6R1.2 O=C1CCOC1 B-1767 [0,0,0,1,0,0|0,1,2]=4 96 B6R1.2 O=C1CCSC1 G-7753 [0,0,0,1,0,0|0,0,2]=3 97 B6R1.2 OC1C=CCC1 Q62924 [0,0,0,1,0,0|1,0,1]=3 98 B6R1.2 OC1CCNC1 G-5959 [0,0,0,1,0,0|1,0,0]=2 99 B6R1.2 OC1CCNC1 I-9548 [0,0,0,1,0,0|1,0,0]=2 100 B6R1.2 OC1CCOC1 C-3328 [0,0,0,1,0,0|0,1,0]=2 101 B6R1.2 O[C@@H]1CCOC1 G-5347 [0,0,0,1,0,0|0,1,0]=2 102 B6R1.2 O[C@H]1CCOC1 G-6766 [0,0,0,1,0,0|0,1,0]=2 103 B6R1.2 S=C1NCCO1 O31137 [0,0,0,1,0,0|2,0,1]=4 104 B6R1.3 BrCCC1CC1 O33551 [0,0,0,1,0,0|2,0,0]=3 105 B6R1.3 BrCC[C@H]1CO1 P51572 [0,0,0,1,0,0|2,0,0]=3 106 B6R1.3 CCNC1CC1 P36705 [0,0,0,1,0,0|2,0,0]=3 107 B6R1.3 CNCC1CC1 L13551 [0,0,0,1,0,0|3,0,0]=4 108 B6R1.3 ICCC1CC1 I-9916 [0,0,0,1,0,0|2,0,0]=3 109 B6R1.3 N#CCC1CC1 O33326 [0,0,0,1,0,0|2,0,1]=4 110 B6R1.3 NCCC1CC1 G-5988 [0,0,0,1,0,0|2,0,0]=3 111 B6R1.3 NCCN1CC1 P45652 [0,0,0,1,0,0|2,0,0]=3 112 B6R1.3 NNCC1CC1 H-8575 [0,0,0,1,0,0|3,0,0]=4 113 B6R1.3 NNCC1CC1 I-9542 [0,0,0,1,0,0|3,0,0]=4 114 B6R1.3 NNCC1CC1 K12084 [0,0,0,1,0,0|3,0,0]=4 115 B6R1.3 NNCC1CC1 L13728 [0,0,0,1,0,0|3,0,0]=4 116 B6R1.3 OCCC1CC1 G-5984 [0,0,0,1,0,0|1,0,0]=2 117 B6R1.4 CC1CCC1=O P47956 [0,0,0,1,0,0|1,0,2]=4 118 B6R1.4 CC1CCC1N P44937 [0,0,0,1,0,0|2,0,0]=3 119 B6R1.4 CC1CCC1N P47065 [0,0,0,1,0,0|2,0,0]=3 120 B6R1.4 CC1CCC1O L20058 [0,0,0,1,0,0|1,0,0]=2 121 B6R1.4 CC1CNC1C P45190 [0,0,0,1,0,0|2,0,0]=3 122 B6R1.4 CC1CNC1C P46961 [0,0,0,1,0,0|2,0,0]=3 123 B6R1.4 CC1NCC1F P47439 [0,0,0,1,0,0|2,0,0]=3 124 B6R1.4 CC1NCC1F P47451 [0,0,0,1,0,0|2,0,0]=3 125 B6R1.4 CC1NCC1O P44849 [0,0,0,1,0,0|1,0,0]=2 126 B6R1.4 CC1NCC1O P44851 [0,0,0,1,0,0|1,0,0]=2 127 B6R1.4 CC1OCC1=O L18036 [0,0,0,1,0,0|0,1,2]=4 128 B6R1.4 CC1OCC1Br Q56171 [0,0,0,1,0,0|1,1,0]=3 129 B6R1.4 CC1OCC1I Q56172 [0,0,0,1,0,0|1,1,0]=3 130 B6R1.4 CC1OCC1N Q56170 [0,0,0,1,0,0|1,1,0]=3 131 B6R1.4 CC1OCC1O L18037 [0,0,0,1,0,0|0,1,0]=2 132 B6R1.4 C[C@@H]1NCC1F P50109 [0,0,0,1,0,0|2,0,0]=3 133 B6R1.4 C[C@@H]1NCC1O P47321 [0,0,0,1,0,0|1,0,0]=2 134 B6R1.4 C[C@@H]1NC[C@@H]1F P50877 [0,0,0,1,0,0|2,0,0]=3 135 B6R1.4 C[C@@H]1NC[C@@H]1F P50878 [0,0,0,1,0,0|2,0,0]=3 136 B6R1.4 C[C@@H]1NC[C@@H]1O P46638 [0,0,0,1,0,0|1,0,0]=2 137 B6R1.4 C[C@@H]1NC[C@@H]1O P48644 [0,0,0,1,0,0|1,0,0]=2 138 B6R1.4 C[C@@H]1NC[C@@H]1O P48652 [0,0,0,1,0,0|1,0,0]=2 139 B6R1.4 C[C@@H]1NC[C@@H]1O P50879 [0,0,0,1,0,0|1,0,0]=2 140 B6R1.4 C[C@@H]1NC[C@H]1F P50880 [0,0,0,1,0,0|2,0,0]=3 141 B6R1.4 C[C@@H]1NC[C@H]1F P50881 [0,0,0,1,0,0|2,0,0]=3 142 B6R1.4 C[C@@H]1NC[C@H]1O P46945 [0,0,0,1,0,0|1,0,0]=2 143 B6R1.4 C[C@@H]1NC[C@H]1O P48643 [0,0,0,1,0,0|1,0,0]=2 144 B6R1.4 C[C@@H]1NC[C@H]1O P48651 [0,0,0,1,0,0|1,0,0]=2 145 B6R1.4 C[C@@H]1OC[C@H]1O Q56119 [0,0,0,1,0,0|0,1,0]=2 146 B6R1.4 C[C@H]1NCC1F P50084 [0,0,0,1,0,0|2,0,0]=3 147 B6R1.4 C[C@H]1NCC1O P50087 [0,0,0,1,0,0|1,0,0]=2 148 B6R1.4 C[C@H]1NC[C@@H]1F P50079 [0,0,0,1,0,0|2,0,0]=3 149 B6R1.4 C[C@H]1NC[C@@H]1O P50080 [0,0,0,1,0,0|1,0,0]=2 150 B6R1.4 C[C@H]1NC[C@H]1F P50081 [0,0,0,1,0,0|2,0,0]=3 151 B6R1.4 C[C@H]1NC[C@H]1O P50082 [0,0,0,1,0,0|1,0,0]=2 152 B6R1.4 C[C@H]1NC[C@H]1O P50119 [0,0,0,1,0,0|1,0,0]=2 153 B6R1.4 C[C@H]1OC[C@H]1O Q56118 [0,0,0,1,0,0|0,1,0]=2 154 B6R1.4 NC1CCC1F P47239 [0,0,0,1,0,0|3,0,0]=4 155 B6R1.4 NC1CCC1F Q56123 [0,0,0,1,0,0|3,0,0]=4 156 B6R1.4 NC1CCC1O P45290 [0,0,0,1,0,0|2,0,0]=3 157 B6R1.4 NC1CCC1O P48134 [0,0,0,1,0,0|2,0,0]=3 158 B6R1.4 N[C@@H]1CC[C@@H]1O P43811 [0,0,0,1,0,0|2,0,0]=3 159 B6R1.4 N[C@@H]1CC[C@@H]1O P45279 [0,0,0,1,0,0|2,0,0]=3 160 B6R1.4 N[C@@H]1CC[C@@H]1O P45323 [0,0,0,1,0,0|2,0,0]=3 161 B6R1.4 N[C@@H]1CC[C@H]1O P45283 [0,0,0,1,0,0|2,0,0]=3 162 B6R1.4 N[C@@H]1CC[C@H]1O P46699 [0,0,0,1,0,0|2,0,0]=3 163 B6R1.4 N[C@@H]1CC[C@H]1O P46700 [0,0,0,1,0,0|2,0,0]=3 164 B6R1.4 N[C@@H]1CC[C@H]1O P47798 [0,0,0,1,0,0|2,0,0]=3 165 B6R1.4 N[C@H]1CC[C@@H]1O O33030 [0,0,0,1,0,0|2,0,0]=3 166 B6R1.4 N[C@H]1CC[C@@H]1O P46969 [0,0,0,1,0,0|2,0,0]=3 167 B6R1.4 N[C@H]1CC[C@H]1O P45237 [0,0,0,1,0,0|2,0,0]=3 168 B6R1.4 N[C@H]1CC[C@H]1O P46397 [0,0,0,1,0,0|2,0,0]=3 169 B6R1.4 O=C1CCC1O P47312 [0,0,0,1,0,0|2,0,1]=4 170 B6R1.4 O=C1NCC1O P45440 [0,0,0,1,0,0|2,0,1]=4 171 B6R1.4 OC1CCC1F P46352 [0,0,0,1,0,0|2,0,0]=3 172 B6R1.4 OC1CCC1O P50009 [0,0,0,1,0,0|2,0,0]=3 173 B6R1.4 O[C@@H]1CC[C@H]1O P45708 [0,0,0,1,0,0|2,0,0]=3 174 B6R1.4 O[C@H]1CC[C@H]1O P45709 [0,0,0,1,0,0|2,0,0]=3 175 B6R1.6 BrCC1CCO1 F-4066 [0,0,0,1,0,0|1,1,0]=3 176 B6R1.6 BrCC1CNC1 P50070 [0,0,0,1,0,0|3,0,0]=4 177 B6R1.6 BrCC1COC1 L21563 [0,0,0,1,0,0|3,0,0]=4 178 B6R1.6 C#CC1CCC1 P45543 [0,0,0,1,0,0|2,0,1]=4 179 B6R1.6 C#CC1CCO1 Q62777 [0,0,0,1,0,0|1,0,2]=4 180 B6R1.6 CCC1CCN1 P47056 [0,0,0,1,0,0|2,0,0]=3 181 B6R1.6 CCC1CCN1 P48764 [0,0,0,1,0,0|2,0,0]=3 182 B6R1.6 CCC1CNC1 P45196 [0,0,0,1,0,0|3,0,0]=4 183 B6R1.6 CCC1CNC1 P47098 [0,0,0,1,0,0|3,0,0]=4 184 B6R1.6 CNC1CCC1 O34360 [0,0,0,1,0,0|3,0,0]=4 185 B6R1.6 CNC1CCC1 P45733 [0,0,0,1,0,0|3,0,0]=4 186 B6R1.6 ClCC1CCC1 M23070 [0,0,0,1,0,0|2,0,0]=3 187 B6R1.6 ClCC1CNC1 P50271 [0,0,0,1,0,0|3,0,0]=4 188 B6R1.6 ClCC1COC1 P45001 [0,0,0,1,0,0|3,0,0]=4 189 B6R1.6 FCC1CCN1 P47490 [0,0,0,1,0,0|2,0,0]=3 190 B6R1.6 FCC1CNC1 O32400 [0,0,0,1,0,0|3,0,0]=4 191 B6R1.6 FCC1CNC1 O32401 [0,0,0,1,0,0|3,0,0]=4 192 B6R1.6 FC[C@@H]1CCN1 P45171 [0,0,0,1,0,0|2,0,0]=3 193 B6R1.6 FC[C@H]1CCN1 P47579 [0,0,0,1,0,0|2,0,0]=3 194 B6R1.6 ICC1CCC1 H-8778 [0,0,0,1,0,0|2,0,0]=3 195 B6R1.6 ICC1CCO1 G-7249 [0,0,0,1,0,0|1,1,0]=3 196 B6R1.6 ICC1COC1 G-5215 [0,0,0,1,0,0|3,0,0]=4 197 B6R1.6 N#CC1CCC1 G-7033 [0,0,0,1,0,0|2,0,1]=4 198 B6R1.6 N#CC1CCN1 P45204 [0,0,0,1,0,0|2,0,1]=4 199 B6R1.6 N#CC1CCN1 P46449 [0,0,0,1,0,0|2,0,1]=4 200 B6R1.6 N#C[C@@H]1CCN1 L14917 [0,0,0,1,0,0|2,0,1]=4 201 B6R1.6 N#C[C@@H]1CCN1 P47568 [0,0,0,1,0,0|2,0,1]=4 202 B6R1.6 N#C[C@H]1CCN1 P45978 [0,0,0,1,0,0|2,0,1]=4 203 B6R1.6 N#C[C@H]1CCN1 P47634 [0,0,0,1,0,0|2,0,1]=4 204 B6R1.6 NCC1CCC1 C-2308 [0,0,0,1,0,0|2,0,0]=3 205 B6R1.6 NCC1CCC1 L13986 [0,0,0,1,0,0|2,0,0]=3 206 B6R1.6 NCC1CCN1 G-5892 [0,0,0,1,0,0|2,0,0]=3 207 B6R1.6 NCC1CCN1 P49927 [0,0,0,1,0,0|2,0,0]=3 208 B6R1.6 NCC1CCO1 F-4044 [0,0,0,1,0,0|1,1,0]=3 209 B6R1.6 NCC1CCS1 Q58811 [0,0,0,1,0,0|1,0,0]=2 210 B6R1.6 NCC1CNC1 P39611 [0,0,0,1,0,0|3,0,0]=4 211 B6R1.6 NCC1CNC1 P49682 [0,0,0,1,0,0|3,0,0]=4 212 B6R1.6 NCC1COC1 C-2244 [0,0,0,1,0,0|3,0,0]=4 213 B6R1.6 NCC1COC1 L21567 [0,0,0,1,0,0|3,0,0]=4 214 B6R1.6 NCC1CSC1 G-7410 [0,0,0,1,0,0|3,0,0]=4 215 B6R1.6 NCC1CSC1 H-8020 [0,0,0,1,0,0|3,0,0]=4 216 B6R1.6 NC[C@@H]1CCO1 Q56226 [0,0,0,1,0,0|1,1,0]=3 217 B6R1.6 NC[C@H]1CCO1 Q64388 [0,0,0,1,0,0|1,1,0]=3 218 B6R1.6 NNC1CCC1 O30528 [0,0,0,1,0,0|3,0,0]=4 219 B6R1.6 NNC1CCC1 O31125 [0,0,0,1,0,0|3,0,0]=4 220 B6R1.6 NNC1CCC1 P44553 [0,0,0,1,0,0|3,0,0]=4 221 B6R1.6 OCC1CCN1 G-7151 [0,0,0,1,0,0|1,0,0]=2 222 B6R1.6 OCC1CCO1 F-4043 [0,0,0,1,0,0|0,1,0]=2 223 B6R1.6 OCC1CNC1 A-421 [0,0,0,1,0,0|2,0,0]=3 224 B6R1.6 OCC1CNC1 L14018 [0,0,0,1,0,0|2,0,0]=3 225 B6R1.6 OCC1COC1 C-2291 [0,0,0,1,0,0|2,0,0]=3 226 B6R1.6 OCC1CSC1 H-8021 [0,0,0,1,0,0|2,0,0]=3 227 B6R1.6 OC[C@@H]1CCN1 B-1106 [0,0,0,1,0,0|1,0,0]=2 228 B6R1.6 OC[C@@H]1CCN1 P36030 [0,0,0,1,0,0|1,0,0]=2 229 B6R1.6 OC[C@@H]1CCO1 Q56225 [0,0,0,1,0,0|0,1,0]=2 230 B6R1.6 OC[C@H]1CCN1 B-1105 [0,0,0,1,0,0|1,0,0]=2 231 B6R1.6 OC[C@H]1CCN1 P35007 [0,0,0,1,0,0|1,0,0]=2 232 B6R1.6 OC[C@H]1CCO1 Q53294 [0,0,0,1,0,0|0,1,0]=2 233 B6R1.6 ON=C1CCC1 P45801 [0,0,0,1,0,0|2,0,1]=4 234 B6R1.6 SCC1CNC1 P46721 [0,0,0,1,0,0|2,1,0]=4 235 B6R1.8 C[C@H]1C[C@H]1CO P43750 [0,0,0,1,0,0|1,0,0]=2 236 B3R0.1 CCNN H-8579 [2,0,0,0,0,0|2,0,0]=4 237 B3R0.1 CCNN O31940 [2,0,0,0,0,0|2,0,0]=4 238 B5R0.1 CC(N)CCO P39048 [1,1,0,0,0,0|0,0,0]=2 239 B5R0.1 CC(O)CCN M22972 [1,1,0,0,0,0|1,0,0]=3 240 B5R0.1 CC(O)CON M15150 [1,1,0,0,0,0|1,1,0]=4 241 B5R0.1 CCC[C@H](C)N I-9318 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.1 CNCC(C)O P40721 [1,1,0,0,0,0|1,0,0]=3 243 B5R0.1 CNCC(F)F P41399 [1,1,0,0,0,0|2,0,0]=4 244 B5R0.1 CNC[C@@H](C)O P41738 [1,1,0,0,0,0|1,0,0]=3 245 B5R0.1 CNC[C@H](C)O P36531 [1,1,0,0,0,0|1,0,0]=3 246 B5R0.1 COCC(C)Br O32164 [1,1,0,0,0,0|1,1,0]=4 247 B5R0.1 C[C@@H](N)CCO F-4752 [1,1,0,0,0,0|0,0,0]=2 248 B5R0.1 C[C@H](N)CC#N Q66038 [1,1,0,0,0,0|1,0,1]=4 249 B5R0.1 C[C@H](N)CCO F-4570 [1,1,0,0,0,0|0,0,0]=2 250 B5R0.1 O=C(O)CCF A-698 [1,1,0,0,0,0|1,0,1]=4 251 B5R0.1 OCCC(F)F P45589 [1,1,0,0,0,0|1,0,0]=3 252 B5R0.3 C#CC(O)CC P38163 [1,1,0,0,0,0|1,0,1]=4 253 B5R0.3 CC(CBr)CBr O34172 [1,1,0,0,0,0|2,0,0]=4 254 B5R0.3 CC(CN)CO O30604 [1,1,0,0,0,0|1,0,0]=3 255 B5R0.3 CCC(C)NN O30637 [1,1,0,0,0,0|2,0,0]=4 256 B5R0.3 CNC(=O)CO P37539 [1,1,0,0,0,0|1,0,1]=4 257 B5R0.3 CNC(C)CO M23268 [1,1,0,0,0,0|1,0,0]=3 258 B5R0.3 CN[C@@H](C)CO P38191 [1,1,0,0,0,0|1,0,0]=3 259 B5R0.3 CN[C@H](C)CO P41018 [1,1,0,0,0,0|1,0,0]=3 260 B5R0.3 COC(C)CN P36510 [1,1,0,0,0,0|1,1,0]=4 261 B5R0.3 NCC(O)CF M23924 [1,1,0,0,0,0|2,0,0]=4 262 B5R0.3 NC[C@@H](F)CO L22313 [1,1,0,0,0,0|1,0,0]=3 263 B5R0.3 NC[C@@H](O)CCl Q69638 [1,1,0,0,0,0|2,0,0]=4 264 B5R0.3 NC[C@H](F)CO O33576 [1,1,0,0,0,0|1,0,0]=3 265 B7R0.2 CCC(=O)CC(=O)O P43007 [0,2,0,0,0,0|1,0,1]=4 266 B7R0.2 CC[C@@H](N)CC(=O)O M23217 [0,2,0,0,0,0|1,0,1]=4 267 B7R0.2 CC[C@H](N)CC(=O)O M23203 [0,2,0,0,0,0|1,0,1]=4 268 B7R0.3 CCCC[C@@H](N)CO P35979 [0,2,0,0,0,0|1,0,0]=3 269 B7R0.3 CCCC[C@H](N)CO P35978 [0,2,0,0,0,0|1,0,0]=3 270 B7R0.3 CCOCC(O)CN L19068 [0,2,0,0,0,0|0,1,0]=3 271 B7R0.3 CSCCC(N)CO P37819 [0,2,0,0,0,0|1,0,0]=3 272 B7R0.5 CC(C)[C@H](N)CCO Q69023 [0,2,0,0,0,0|1,0,0]=3 273 B7R0.5 CCCC(C)C(C)N L19280 [0,2,0,0,0,0|2,0,0]=4 274 B7R0.5 CCC[C@H](O)C(=O)O P51274 [0,2,0,0,0,0|1,0,1]=4 275 B7R0.5 CCNC(C)C(=O)O P36832 [0,2,0,0,0,0|1,0,1]=4 276 B7R0.5 CCN[C@@H](C)C(=O)O P36816 [0,2,0,0,0,0|1,0,1]=4 277 B7R0.5 CCN[C@H](C)C(=O)O P35138 [0,2,0,0,0,0|1,0,1]=4 278 B7R0.7 CCCN(C)CCO Q66069 [0,2,0,0,0,0|1,0,0]=3 279 B7R0.7 CCNC(=O)CCN P36830 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.7 CCOC(=O)CCI P36879 [0,2,0,0,0,0|1,1,0]=4 281 B7R0.7 CCOC(=O)NCO Q69358 [0,2,0,0,0,0|0,1,1]=4 282 B7R0.11 CNCC(C)(C)CO P40852 [0,2,0,0,0,0|2,0,0]=4 283 B7R0.11 COCC(C)(C)CO O31179 [0,2,0,0,0,0|2,0,0]=4 284 B7R0.4 COCCCC(=O)O P39031 [0,2,0,0,0,0|1,0,1]=4 285 B7R0.4 NCCNCC(=O)O O28634 [0,2,0,0,0,0|1,0,1]=4 286 B7R0.4 NCCOCC(=O)O P35961 [0,2,0,0,0,0|0,1,1]=4 287 B7R0.6 CC(=O)OCC(C)O P36972 [0,2,0,0,0,0|0,1,1]=4 288 B7R0.6 CC(C)OCC(=O)O P38749 [0,2,0,0,0,0|0,1,1]=4 289 B7R0.8 CCCCS(=O)(=O)O O30093 [0,2,0,0,0,0|2,0,0]=4 290 B7R0.8 CCNCC(F)(F)F P42734 [0,2,0,0,0,0|2,0,0]=4 291 B7R0.8 CNCCC(C)(C)O M22918 [0,2,0,0,0,0|2,0,0]=4 292 B7R0.8 OCCCC(F)(F)F P37989 [0,2,0,0,0,0|2,0,0]=4 293 B7R0.1 BrCCSSCCBr Q69404 [0,2,0,0,0,0|1,0,0]=3 294 B7R0.1 C#CCCCCCI Q66056 [0,2,0,0,0,0|2,0,0]=4 295 B7R0.1 C#CCOCCOC P38854 [0,2,0,0,0,0|0,1,1]=4 296 B7R0.1 CCCCNCC#N P38905 [0,2,0,0,0,0|2,0,0]=4 297 B7R0.1 CCCCOCCN P36925 [0,2,0,0,0,0|1,1,0]=4 298 B7R0.1 COCCOCCN P38878 [0,2,0,0,0,0|0,1,0]=3 299 B7R0.1 NCCCOCCO P34738 [0,2,0,0,0,0|0,1,0]=3 300 B7R0.1 O=CCCCCCCl O30105 [0,2,0,0,0,0|1,0,1]=4 301 B7R0.1 [N-]=[N+]=NCCCCO P37488 [0,2,0,0,0,0|2,0,0]=4 302 B5R1.1 C1CSCO1 P51538 [1,0,0,1,0,0|0,0,0]=2 303 B5R1.2 BrC1CNC1 D-2507 [1,0,0,1,0,0|2,0,0]=4 304 B5R1.2 BrC1CNC1 P39525 [1,0,0,1,0,0|2,0,0]=4 305 B5R1.2 BrC1COC1 C-2448 [1,0,0,1,0,0|1,1,0]=4 306 B5R1.2 C=C1CCC1 P49771 [1,0,0,1,0,0|1,0,1]=4 307 B5R1.2 CC1CCN1 M22690 [1,0,0,1,0,0|1,0,0]=3 308 B5R1.2 CC1CCN1 P44577 [1,0,0,1,0,0|1,0,0]=3 309 B5R1.2 CC1CCO1 Q53239 [1,0,0,1,0,0|0,0,0]=2 310 B5R1.2 CC1CNC1 C-2879 [1,0,0,1,0,0|2,0,0]=4 311 B5R1.2 C[C@@H]1CCN1 P45172 [1,0,0,1,0,0|1,0,0]=3 312 B5R1.2 C[C@@H]1CCO1 Q53238 [1,0,0,1,0,0|0,0,0]=2 313 B5R1.2 C[C@H]1CCN1 P44797 [1,0,0,1,0,0|1,0,0]=3 314 B5R1.2 C[C@H]1CCO1 Q53237 [1,0,0,1,0,0|0,0,0]=2 315 B5R1.2 ClC1CNC1 G-7722 [1,0,0,1,0,0|2,0,0]=4 316 B5R1.2 ClC1COC1 L21610 [1,0,0,1,0,0|1,1,0]=4 317 B5R1.2 FC1CNC1 A-433 [1,0,0,1,0,0|2,0,0]=4 318 B5R1.2 FC1CNC1 P45315 [1,0,0,1,0,0|2,0,0]=4 319 B5R1.2 IC1CCC1 L21363 [1,0,0,1,0,0|1,0,0]=3 320 B5R1.2 IC1CNC1 F-4497 [1,0,0,1,0,0|2,0,0]=4 321 B5R1.2 IC1COC1 C-2449 [1,0,0,1,0,0|1,1,0]=4 322 B5R1.2 NC1CCC1 P45382 [1,0,0,1,0,0|1,0,0]=3 323 B5R1.2 NC1CNC1 L13523 [1,0,0,1,0,0|2,0,0]=4 324 B5R1.2 NC1COC1 C-2472 [1,0,0,1,0,0|1,1,0]=4 325 B5R1.2 NC1COC1 O31926 [1,0,0,1,0,0|1,1,0]=4 326 B5R1.2 NC1CSC1 G-6637 [1,0,0,1,0,0|1,0,0]=3 327 B5R1.2 NC1CSC1 Q58806 [1,0,0,1,0,0|1,0,0]=3 328 B5R1.2 NC1CSC1 S72763 [1,0,0,1,0,0|1,0,0]=3 329 B5R1.2 O=C1CSC1 A-895 [1,0,0,1,0,0|0,0,2]=4 330 B5R1.2 OC1CNC1 A-407 [1,0,0,1,0,0|1,0,0]=3 331 B5R1.2 OC1CNC1 O28030 [1,0,0,1,0,0|1,0,0]=3 332 B5R1.2 OC1COC1 B-1102 [1,0,0,1,0,0|0,1,0]=3 333 B5R1.2 OC1CSC1 L21497 [1,0,0,1,0,0|0,0,0]=2 334 B5R1.2 SC1CNC1 G-7240 [1,0,0,1,0,0|1,1,0]=4 335 B5R1.2 SC1COC1 G-6845 [1,0,0,1,0,0|0,2,0]=4 336 B5R1.3 CNC1CC1 G-6453 [1,0,0,1,0,0|2,0,0]=4 337 B5R1.3 ClCC1CS1 H-8564 [1,0,0,1,0,0|1,0,0]=3 338 B5R1.3 ICC1CC1 P38738 [1,0,0,1,0,0|1,0,0]=3 339 B5R1.3 NNC1CC1 H-8725 [1,0,0,1,0,0|2,0,0]=4 340 B5R1.3 NNC1CC1 O31496 [1,0,0,1,0,0|2,0,0]=4 341 B5R1.3 SCC1CC1 F-4776 [1,0,0,1,0,0|0,1,0]=3 342 B5R1.4 NC1CC1F O33119 [1,0,0,1,0,0|2,0,0]=4 343 B5R1.4 N[C@@H]1C[C@H]1N Q54346 [1,0,0,1,0,0|2,0,0]=4 344 B5R1.4 N[C@H]1C[C@@H]1F Q52395 [1,0,0,1,0,0|2,0,0]=4 345 B7R1.1 BrCC1CCOC1 C-3388 [0,1,0,1,0,0|1,1,0]=4 346 B7R1.1 C#CC1CCNC1 Q55467 [0,1,0,1,0,0|2,0,0]=4 347 B7R1.1 C#CC1CCNC1 Q55468 [0,1,0,1,0,0|2,0,0]=4 348 B7R1.1 C#CC1CCOC1 G-7177 [0,1,0,1,0,0|1,1,0]=4 349 B7R1.1 CC[C@@H]1CCNC1 L14526 [0,1,0,1,0,0|2,0,0]=4 350 B7R1.1 CC[C@H]1CCNC1 L14527 [0,1,0,1,0,0|2,0,0]=4 351 B7R1.1 CNC1CCCC1 P36274 [0,1,0,1,0,0|2,0,0]=4 352 B7R1.1 CNC1CCNC1 P41664 [0,1,0,1,0,0|2,0,0]=4 353 B7R1.1 CNC1CCOC1 I-9659 [0,1,0,1,0,0|1,1,0]=4 354 B7R1.1 CN[C@@H]1CCNC1 P41422 [0,1,0,1,0,0|2,0,0]=4 355 B7R1.1 CN[C@@H]1CCOC1 L13930 [0,1,0,1,0,0|1,1,0]=4 356 B7R1.1 CN[C@H]1CCNC1 P41423 [0,1,0,1,0,0|2,0,0]=4 357 B7R1.1 CN[C@H]1CCOC1 L13929 [0,1,0,1,0,0|1,1,0]=4 358 B7R1.1 COC1CCNC1 C-2248 [0,1,0,1,0,0|1,0,0]=3 359 B7R1.1 CO[C@@H]1CCNC1 C-2249 [0,1,0,1,0,0|1,0,0]=3 360 B7R1.1 CO[C@H]1CCNC1 C-2250 [0,1,0,1,0,0|1,0,0]=3 361 B7R1.1 CSC1CCNC1 L20011 [0,1,0,1,0,0|1,1,0]=4 362 B7R1.1 CS[C@@H]1CCNC1 Q52106 [0,1,0,1,0,0|1,1,0]=4 363 B7R1.1 CS[C@H]1CCNC1 Q52105 [0,1,0,1,0,0|1,1,0]=4 364 B7R1.1 FCC1CCCN1 Q52409 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.1 FCC1CCNC1 L20341 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.1 FC[C@@H]1CCCN1 G-5688 [0,1,0,1,0,0|2,0,0]=4 367 B7R1.1 FC[C@@H]1CCCN1 Q61799 [0,1,0,1,0,0|2,0,0]=4 368 B7R1.1 FC[C@@H]1CCNC1 P48130 [0,1,0,1,0,0|2,0,0]=4 369 B7R1.1 FC[C@@H]1CCNC1 Q61807 [0,1,0,1,0,0|2,0,0]=4 370 B7R1.1 FC[C@H]1CCCN1 I-9901 [0,1,0,1,0,0|2,0,0]=4 371 B7R1.1 FC[C@H]1CCCN1 Q51944 [0,1,0,1,0,0|2,0,0]=4 372 B7R1.1 FC[C@H]1CCNC1 P50376 [0,1,0,1,0,0|2,0,0]=4 373 B7R1.1 FC[C@H]1CCNC1 Q61806 [0,1,0,1,0,0|2,0,0]=4 374 B7R1.1 ICC1CCCC1 P39098 [0,1,0,1,0,0|2,0,0]=4 375 B7R1.1 ICC1CCOC1 I-9304 [0,1,0,1,0,0|1,1,0]=4 376 B7R1.1 N#CC1CCNC1 L13633 [0,1,0,1,0,0|2,0,0]=4 377 B7R1.1 N#CC1CCNC1 M23796 [0,1,0,1,0,0|2,0,0]=4 378 B7R1.1 N#CC1CCOC1 I-9148 [0,1,0,1,0,0|1,1,0]=4 379 B7R1.1 N#C[C@@H]1CCNC1 C-2960 [0,1,0,1,0,0|2,0,0]=4 380 B7R1.1 N#C[C@@H]1CCOC1 G-6696 [0,1,0,1,0,0|1,1,0]=4 381 B7R1.1 N#C[C@H]1CCNC1 C-2961 [0,1,0,1,0,0|2,0,0]=4 382 B7R1.1 N#C[C@H]1CCOC1 I-9839 [0,1,0,1,0,0|1,1,0]=4 383 B7R1.1 NCC1CCCC1 F-4714 [0,1,0,1,0,0|2,0,0]=4 384 B7R1.1 NCC1CCCC1 L14012 [0,1,0,1,0,0|2,0,0]=4 385 B7R1.1 NCC1CCCN1 P37060 [0,1,0,1,0,0|2,0,0]=4 386 B7R1.1 NCC1CCOC1 C-3659 [0,1,0,1,0,0|1,1,0]=4 387 B7R1.1 NCC1CCOC1 G-6767 [0,1,0,1,0,0|1,1,0]=4 388 B7R1.1 NC[C@@H]1CCCN1 G-5891 [0,1,0,1,0,0|2,0,0]=4 389 B7R1.1 NC[C@@H]1CCOC1 C-2790 [0,1,0,1,0,0|1,1,0]=4 390 B7R1.1 NC[C@@H]1CCOC1 G-5015 [0,1,0,1,0,0|1,1,0]=4 391 B7R1.1 NC[C@H]1CCCN1 P42386 [0,1,0,1,0,0|2,0,0]=4 392 B7R1.1 NC[C@H]1CCNC1 Q55433 [0,1,0,1,0,0|2,0,0]=4 393 B7R1.1 NC[C@H]1CCOC1 C-2789 [0,1,0,1,0,0|1,1,0]=4 394 B7R1.1 NC[C@H]1CCOC1 G-5014 [0,1,0,1,0,0|1,1,0]=4 395 B7R1.1 NNC1CCCC1 O31761 [0,1,0,1,0,0|2,0,0]=4 396 B7R1.1 NNC1CCNC1 O29712 [0,1,0,1,0,0|2,0,0]=4 397 B7R1.1 OCC1CC=CC1 G-6600 [0,1,0,1,0,0|1,0,1]=4 398 B7R1.1 OCC1CCNC1 C-2924 [0,1,0,1,0,0|1,0,0]=3 399 B7R1.1 OCC1CCNC1 L13610 [0,1,0,1,0,0|1,0,0]=3 400 B7R1.1 OCC1CCOC1 C-3387 [0,1,0,1,0,0|0,1,0]=3 401 B7R1.1 OCC1OCCO1 O33317 [0,1,0,1,0,0|0,1,0]=3 402 B7R1.1 OC[C@@H]1CCCO1 O32723 [0,1,0,1,0,0|0,1,0]=3 403 B7R1.1 OC[C@@H]1CCNC1 G-6083 [0,1,0,1,0,0|1,0,0]=3 404 B7R1.1 OC[C@@H]1CCNC1 L13662 [0,1,0,1,0,0|1,0,0]=3 405 B7R1.1 OC[C@@H]1CCOC1 C-2787 [0,1,0,1,0,0|0,1,0]=3 406 B7R1.1 OC[C@H]1CCNC1 G-6082 [0,1,0,1,0,0|1,0,0]=3 407 B7R1.1 OC[C@H]1CCNC1 L14041 [0,1,0,1,0,0|1,0,0]=3 408 B7R1.1 OC[C@H]1CCOC1 C-2788 [0,1,0,1,0,0|0,1,0]=3 409 B7R1.2 CC1=NC(C)CO1 M15289 [0,1,0,1,0,0|1,0,1]=4 410 B7R1.2 CC1CC(O)CN1 Q59204 [0,1,0,1,0,0|1,0,0]=3 411 B7R1.2 CC1CC(O)CN1 Q59205 [0,1,0,1,0,0|1,0,0]=3 412 B7R1.2 CC1CCC(N)C1 Q56970 [0,1,0,1,0,0|2,0,0]=4 413 B7R1.2 CN1CCC(Br)C1 Q53645 [0,1,0,1,0,0|2,0,0]=4 414 B7R1.2 CN1CCC(N)C1 C-2205 [0,1,0,1,0,0|2,0,0]=4 415 B7R1.2 CN1CCC(N)C1 O28463 [0,1,0,1,0,0|2,0,0]=4 416 B7R1.2 CN1CCC(O)C1 C-3294 [0,1,0,1,0,0|1,0,0]=3 417 B7R1.2 CN1CC[C@@H](N)C1 C-2206 [0,1,0,1,0,0|2,0,0]=4 418 B7R1.2 CN1CC[C@@H](N)C1 Q66155 [0,1,0,1,0,0|2,0,0]=4 419 B7R1.2 CN1CC[C@@H](O)C1 C-3296 [0,1,0,1,0,0|1,0,0]=3 420 B7R1.2 CN1CC[C@H](N)C1 C-2207 [0,1,0,1,0,0|2,0,0]=4 421 B7R1.2 CN1CC[C@H](N)C1 P35579 [0,1,0,1,0,0|2,0,0]=4 422 B7R1.2 CN1CC[C@H](N)C1 Q51811 [0,1,0,1,0,0|2,0,0]=4 423 B7R1.2 CN1CC[C@H](O)C1 C-3295 [0,1,0,1,0,0|1,0,0]=3 424 B7R1.2 C[C@@H]1CC[C@@H](C)N1 O32970 [0,1,0,1,0,0|2,0,0]=4 425 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61707 [0,1,0,1,0,0|2,0,0]=4 426 B7R1.2 C[C@@H]1CC[C@@H](C)N1 Q61742 [0,1,0,1,0,0|2,0,0]=4 427 B7R1.2 C[C@@H]1CN[C@@H](C)C1 Q61627 [0,1,0,1,0,0|2,0,0]=4 428 B7R1.2 C[C@@H]1C[C@@H](O)CN1 Q56025 [0,1,0,1,0,0|1,0,0]=3 429 B7R1.2 C[C@@H]1C[C@H](F)CN1 Q54433 [0,1,0,1,0,0|2,0,0]=4 430 B7R1.2 C[C@@H]1C[C@H](O)CN1 L14502 [0,1,0,1,0,0|1,0,0]=3 431 B7R1.2 C[C@H]1CC[C@@H](C)N1 O32965 [0,1,0,1,0,0|2,0,0]=4 432 B7R1.2 C[C@H]1CC[C@@H](C)N1 Q61708 [0,1,0,1,0,0|2,0,0]=4 433 B7R1.2 C[C@H]1C[C@@H](O)CN1 Q56026 [0,1,0,1,0,0|1,0,0]=3 434 B7R1.2 C[C@H]1C[C@H](O)CN1 L13861 [0,1,0,1,0,0|1,0,0]=3 435 B7R1.2 NC1CCC(F)C1 Q54470 [0,1,0,1,0,0|2,0,0]=4 436 B7R1.2 NC1CCC(F)C1 Q54471 [0,1,0,1,0,0|2,0,0]=4 437 B7R1.2 NC1CCC(O)C1 G-5810 [0,1,0,1,0,0|1,0,0]=3 438 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q56999 [0,1,0,1,0,0|2,0,0]=4 439 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q57000 [0,1,0,1,0,0|2,0,0]=4 440 B7R1.2 N[C@@H]1CC[C@@H](F)C1 Q57004 [0,1,0,1,0,0|2,0,0]=4 441 B7R1.2 N[C@@H]1CC[C@@H](O)C1 G-6580 [0,1,0,1,0,0|1,0,0]=3 442 B7R1.2 N[C@@H]1CC[C@@H](O)C1 L13346 [0,1,0,1,0,0|1,0,0]=3 443 B7R1.2 N[C@@H]1CC[C@@H](O)C1 Q57092 [0,1,0,1,0,0|1,0,0]=3 444 B7R1.2 N[C@@H]1CC[C@H](F)C1 Q57002 [0,1,0,1,0,0|2,0,0]=4 445 B7R1.2 N[C@@H]1CC[C@H](O)C1 L13208 [0,1,0,1,0,0|1,0,0]=3 446 B7R1.2 N[C@@H]1CC[C@H](O)C1 Q57094 [0,1,0,1,0,0|1,0,0]=3 447 B7R1.2 N[C@H]1CC[C@@H](F)C1 O33077 [0,1,0,1,0,0|2,0,0]=4 448 B7R1.2 N[C@H]1CC[C@@H](F)C1 Q56998 [0,1,0,1,0,0|2,0,0]=4 449 B7R1.2 N[C@H]1CC[C@@H](F)C1 Q57001 [0,1,0,1,0,0|2,0,0]=4 450 B7R1.2 N[C@H]1CC[C@@H](O)C1 G-6579 [0,1,0,1,0,0|1,0,0]=3 451 B7R1.2 N[C@H]1CC[C@@H](O)C1 K10902 [0,1,0,1,0,0|1,0,0]=3 452 B7R1.2 N[C@H]1CC[C@@H](O)C1 L21276 [0,1,0,1,0,0|1,0,0]=3 453 B7R1.2 N[C@H]1CC[C@H](F)C1 Q57003 [0,1,0,1,0,0|2,0,0]=4 454 B7R1.2 N[C@H]1CC[C@H](O)C1 I-9981 [0,1,0,1,0,0|1,0,0]=3 455 B7R1.2 N[C@H]1CC[C@H](O)C1 Q57093 [0,1,0,1,0,0|1,0,0]=3 456 B7R1.2 O=C1CC(O)CN1 P39299 [0,1,0,1,0,0|1,0,1]=4 457 B7R1.2 O=C1CCC(Br)C1 Q56972 [0,1,0,1,0,0|2,0,0]=4 458 B7R1.2 O=C1CCC(F)C1 Q55724 [0,1,0,1,0,0|2,0,0]=4 459 B7R1.2 O=C1CCC(O)C1 H-8145 [0,1,0,1,0,0|1,0,0]=3 460 B7R1.2 O=C1C[C@@H](O)CN1 M22799 [0,1,0,1,0,0|1,0,1]=4 461 B7R1.2 OC1CCC(F)C1 Q55723 [0,1,0,1,0,0|1,0,0]=3 462 B7R1.2 OC1CCC(O)C1 L14091 [0,1,0,1,0,0|1,0,0]=3 463 B7R1.2 O[C@@H]1C=C[C@@H](F)C1 Q63540 [0,1,0,1,0,0|1,0,1]=4 464 B7R1.2 O[C@@H]1C=C[C@H](F)C1 Q63539 [0,1,0,1,0,0|1,0,1]=4 465 B7R1.2 O[C@@H]1C=C[C@H](O)C1 Q54369 [0,1,0,1,0,0|1,0,1]=4 466 B7R1.2 O[C@@H]1CC[C@@H](O)C1 O33251 [0,1,0,1,0,0|1,0,0]=3 467 B7R1.2 O[C@H]1C=C[C@@H](F)C1 Q63538 [0,1,0,1,0,0|1,0,1]=4 468 B7R1.2 O[C@H]1C=C[C@H](F)C1 Q63541 [0,1,0,1,0,0|1,0,1]=4 469 B7R1.2 O[C@H]1CC[C@@H](O)C1 L14976 [0,1,0,1,0,0|1,0,0]=3 470 B7R1.2 O[C@H]1CC[C@H](O)C1 Q57036 [0,1,0,1,0,0|1,0,0]=3 471 B7R1.3 BrC1CCCNC1 H-8368 [0,1,0,1,0,0|2,0,0]=4 472 B7R1.3 BrC1CCCOC1 O33555 [0,1,0,1,0,0|1,0,0]=3 473 B7R1.3 BrC1CCOCC1 C-3420 [0,1,0,1,0,0|1,0,0]=3 474 B7R1.3 C=C1CCCOC1 Q54979 [0,1,0,1,0,0|1,0,1]=4 475 B7R1.3 C=C1CCNCC1 H-8338 [0,1,0,1,0,0|2,0,0]=4 476 B7R1.3 C=C1CCNCC1 Q55164 [0,1,0,1,0,0|2,0,0]=4 477 B7R1.3 C=C1CCOCC1 L13714 [0,1,0,1,0,0|1,0,0]=3 478 B7R1.3 CC1=CCCNC1 I-9121 [0,1,0,1,0,0|2,0,0]=4 479 B7R1.3 CC1CNCCO1 B-1061 [0,1,0,1,0,0|1,0,0]=3 480 B7R1.3 CC1CNCCO1 B-1061-1 [0,1,0,1,0,0|1,0,0]=3 481 B7R1.3 CC1COCCN1 B-1060 [0,1,0,1,0,0|1,0,0]=3 482 B7R1.3 CC1COCCN1 O28936 [0,1,0,1,0,0|1,0,0]=3 483 B7R1.3 C[C@@H]1CCCCN1 P40572 [0,1,0,1,0,0|2,0,0]=4 484 B7R1.3 C[C@@H]1CCCNC1 Q55825 [0,1,0,1,0,0|2,0,0]=4 485 B7R1.3 C[C@@H]1CNCCO1 B-1063 [0,1,0,1,0,0|1,0,0]=3 486 B7R1.3 C[C@@H]1CNCCO1 B-1063-1 [0,1,0,1,0,0|1,0,0]=3 487 B7R1.3 C[C@@H]1COCCN1 B-1058 [0,1,0,1,0,0|1,0,0]=3 488 B7R1.3 C[C@@H]1COCCN1 P34848 [0,1,0,1,0,0|1,0,0]=3 489 B7R1.3 C[C@H]1CCCCN1 P38855 [0,1,0,1,0,0|2,0,0]=4 490 B7R1.3 C[C@H]1CCCCN1 Q54716 [0,1,0,1,0,0|2,0,0]=4 491 B7R1.3 C[C@H]1CCCNC1 Q55824 [0,1,0,1,0,0|2,0,0]=4 492 B7R1.3 C[C@H]1CNCCO1 B-1062 [0,1,0,1,0,0|1,0,0]=3 493 B7R1.3 C[C@H]1CNCCO1 B-1062-1 [0,1,0,1,0,0|1,0,0]=3 494 B7R1.3 C[C@H]1COCCN1 B-1059 [0,1,0,1,0,0|1,0,0]=3 495 B7R1.3 C[C@H]1COCCN1 P42980 [0,1,0,1,0,0|1,0,0]=3 496 B7R1.3 ClC1CCCOC1 Q57646 [0,1,0,1,0,0|1,0,0]=3 497 B7R1.3 FC1CCCNC1 C-2254 [0,1,0,1,0,0|2,0,0]=4 498 B7R1.3 F[C@@H]1CCCNC1 G-5231 [0,1,0,1,0,0|2,0,0]=4 499 B7R1.3 F[C@H]1CCCNC1 C-2765 [0,1,0,1,0,0|2,0,0]=4 500 B7R1.3 IC1CCOCC1 C-3266 [0,1,0,1,0,0|1,0,0]=3 501 B7R1.3 NC1CCCOC1 I-9177 [0,1,0,1,0,0|1,0,0]=3 502 B7R1.3 NC1CCCOC1 Q56350 [0,1,0,1,0,0|1,0,0]=3 503 B7R1.3 NC1CCOCC1 B-1768 [0,1,0,1,0,0|1,0,0]=3 504 B7R1.3 NC1CCOCC1 G-5110 [0,1,0,1,0,0|1,0,0]=3 505 B7R1.3 NC1CCSCC1 O33298 [0,1,0,1,0,0|1,0,0]=3 506 B7R1.3 N[C@@H]1CCCNC1 I-9160 [0,1,0,1,0,0|2,0,0]=4 507 B7R1.3 N[C@@H]1CCCOC1 I-9746 [0,1,0,1,0,0|1,0,0]=3 508 B7R1.3 O=C1CCCOC1 G-6070 [0,1,0,1,0,0|1,0,1]=4 509 B7R1.3 O=C1CCCSC1 G-5937 [0,1,0,1,0,0|0,0,2]=4 510 B7R1.3 O=C1CCOCC1 B-1770 [0,1,0,1,0,0|1,0,0]=3 511 B7R1.3 O=C1CCSCC1 C-2949 [0,1,0,1,0,0|0,0,1]=3 512 B7R1.3 O=C1CNCCO1 O28295 [0,1,0,1,0,0|1,0,1]=4 513 B7R1.3 O=C1COCCN1 B-1038 [0,1,0,1,0,0|1,0,1]=4 514 B7R1.3 OC1C=CCOC1 Q63933 [0,1,0,1,0,0|0,1,1]=4 515 B7R1.3 OC1CCCOC1 G-6220 [0,1,0,1,0,0|0,1,0]=3 516 B7R1.3 OC1CCNCC1 Q52555 [0,1,0,1,0,0|1,0,0]=3 517 B7R1.3 OC1CCOCC1 B-1769 [0,1,0,1,0,0|0,1,0]=3 518 B7R1.3 OC1CCSCC1 Q69934 [0,1,0,1,0,0|0,0,0]=2 519 B7R1.3 O[C@@H]1C=CCOC1 Q63935 [0,1,0,1,0,0|0,1,1]=4 520 B7R1.3 O[C@@H]1CCCNC1 K12060 [0,1,0,1,0,0|1,0,0]=3 521 B7R1.3 O[C@@H]1CCCOC1 P44487 [0,1,0,1,0,0|0,1,0]=3 522 B7R1.3 O[C@H]1C=CCOC1 Q63934 [0,1,0,1,0,0|0,1,1]=4 523 B7R1.3 O[C@H]1CCCNC1 K12075 [0,1,0,1,0,0|1,0,0]=3 524 B7R1.3 O[C@H]1CCCNC1 L13549 [0,1,0,1,0,0|1,0,0]=3 525 B7R1.3 O[C@H]1CCCOC1 P51230 [0,1,0,1,0,0|0,1,0]=3 526 B7R1.3 SC1CCCNC1 L21541 [0,1,0,1,0,0|1,1,0]=4 527 B7R1.3 SC1CCCOC1 Q57701 [0,1,0,1,0,0|1,0,0]=3 528 B7R1.3 SC1CCNCC1 I-9049 [0,1,0,1,0,0|1,1,0]=4 529 B7R1.4 CC1CCNC1C Q61659 [0,1,0,1,0,0|2,0,0]=4 530 B7R1.4 CC1CNCC1C O33388 [0,1,0,1,0,0|2,0,0]=4 531 B7R1.4 CC1CNCC1F Q54416 [0,1,0,1,0,0|2,0,0]=4 532 B7R1.4 CC1CNCC1O Q59312 [0,1,0,1,0,0|1,0,0]=3 533 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53279 [0,1,0,1,0,0|2,0,0]=4 534 B7R1.4 C[C@@H]1CCC[C@@H]1N Q53280 [0,1,0,1,0,0|2,0,0]=4 535 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56053 [0,1,0,1,0,0|2,0,0]=4 536 B7R1.4 C[C@@H]1CNC[C@@H]1F Q56054 [0,1,0,1,0,0|2,0,0]=4 537 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61701 [0,1,0,1,0,0|2,0,0]=4 538 B7R1.4 C[C@@H]1CNC[C@@H]1N Q61702 [0,1,0,1,0,0|2,0,0]=4 539 B7R1.4 C[C@@H]1CNC[C@@H]1O L22286 [0,1,0,1,0,0|1,0,0]=3 540 B7R1.4 C[C@@H]1CNC[C@@H]1O Q55495 [0,1,0,1,0,0|1,0,0]=3 541 B7R1.4 C[C@@H]1CNC[C@H]1O L22285 [0,1,0,1,0,0|1,0,0]=3 542 B7R1.4 C[C@@H]1CNC[C@H]1O Q55494 [0,1,0,1,0,0|1,0,0]=3 543 B7R1.4 C[C@@H]1COC[C@H]1N F-4262 [0,1,0,1,0,0|1,1,0]=4 544 B7R1.4 C[C@@H]1NCC[C@@H]1O Q64145 [0,1,0,1,0,0|1,0,0]=3 545 B7R1.4 C[C@@H]1NCC[C@H]1O Q64143 [0,1,0,1,0,0|1,0,0]=3 546 B7R1.4 C[C@H]1CCC[C@@H]1N Q53277 [0,1,0,1,0,0|2,0,0]=4 547 B7R1.4 C[C@H]1CCC[C@@H]1N Q53278 [0,1,0,1,0,0|2,0,0]=4 548 B7R1.4 C[C@H]1COC[C@@H]1N L13875 [0,1,0,1,0,0|1,1,0]=4 549 B7R1.4 C[C@H]1NCC[C@@H]1O Q64142 [0,1,0,1,0,0|1,0,0]=3 550 B7R1.4 C[C@H]1NCC[C@H]1O Q64144 [0,1,0,1,0,0|1,0,0]=3 551 B7R1.4 FC1CNCC1F Q57411 [0,1,0,1,0,0|2,0,0]=4 552 B7R1.4 F[C@@H]1CNC[C@H]1F Q63594 [0,1,0,1,0,0|2,0,0]=4 553 B7R1.4 F[C@H]1CNC[C@@H]1F K12040 [0,1,0,1,0,0|2,0,0]=4 554 B7R1.4 F[C@H]1CNC[C@@H]1F Q56486 [0,1,0,1,0,0|2,0,0]=4 555 B7R1.4 F[C@H]1CNC[C@H]1F G-6496 [0,1,0,1,0,0|2,0,0]=4 556 B7R1.4 NC1CCCC1Cl Q54474 [0,1,0,1,0,0|2,0,0]=4 557 B7R1.4 NC1CCCC1F Q54472 [0,1,0,1,0,0|2,0,0]=4 558 B7R1.4 NC1CCCC1F Q54473 [0,1,0,1,0,0|2,0,0]=4 559 B7R1.4 NC1CCCC1O F-4442 [0,1,0,1,0,0|1,0,0]=3 560 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61724 [0,1,0,1,0,0|2,0,0]=4 561 B7R1.4 N[C@@H]1CCC[C@@H]1F Q61725 [0,1,0,1,0,0|2,0,0]=4 562 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4443 [0,1,0,1,0,0|1,0,0]=3 563 B7R1.4 N[C@@H]1CCC[C@@H]1O F-4445 [0,1,0,1,0,0|1,0,0]=3 564 B7R1.4 N[C@@H]1CCC[C@H]1F O32983 [0,1,0,1,0,0|2,0,0]=4 565 B7R1.4 N[C@@H]1CCC[C@H]1F Q61721 [0,1,0,1,0,0|2,0,0]=4 566 B7R1.4 N[C@@H]1CCC[C@H]1F Q61728 [0,1,0,1,0,0|2,0,0]=4 567 B7R1.4 N[C@@H]1CCC[C@H]1N L21303 [0,1,0,1,0,0|2,0,0]=4 568 B7R1.4 N[C@@H]1CCC[C@H]1N Q61965 [0,1,0,1,0,0|2,0,0]=4 569 B7R1.4 N[C@@H]1CCC[C@H]1O F-4450 [0,1,0,1,0,0|1,0,0]=3 570 B7R1.4 N[C@@H]1CCC[C@H]1O I-9382 [0,1,0,1,0,0|1,0,0]=3 571 B7R1.4 N[C@@H]1COC[C@@H]1N G-7625 [0,1,0,1,0,0|1,1,0]=4 572 B7R1.4 N[C@@H]1COC[C@@H]1N L14037 [0,1,0,1,0,0|1,1,0]=4 573 B7R1.4 N[C@@H]1COC[C@H]1N G-7624 [0,1,0,1,0,0|1,1,0]=4 574 B7R1.4 N[C@@H]1COC[C@H]1O H-8080 [0,1,0,1,0,0|0,1,0]=3 575 B7R1.4 N[C@H]1CCC[C@@H]1F Q61723 [0,1,0,1,0,0|2,0,0]=4 576 B7R1.4 N[C@H]1CCC[C@@H]1O F-4444 [0,1,0,1,0,0|1,0,0]=3 577 B7R1.4 N[C@H]1CCC[C@@H]1O F-4447 [0,1,0,1,0,0|1,0,0]=3 578 B7R1.4 N[C@H]1CCC[C@@H]1O F-4448 [0,1,0,1,0,0|1,0,0]=3 579 B7R1.4 N[C@H]1CCC[C@H]1F Q61722 [0,1,0,1,0,0|2,0,0]=4 580 B7R1.4 N[C@H]1CCC[C@H]1F Q61726 [0,1,0,1,0,0|2,0,0]=4 581 B7R1.4 N[C@H]1CCC[C@H]1F Q61727 [0,1,0,1,0,0|2,0,0]=4 582 B7R1.4 N[C@H]1CCC[C@H]1N O33475 [0,1,0,1,0,0|2,0,0]=4 583 B7R1.4 N[C@H]1CCC[C@H]1O F-4446 [0,1,0,1,0,0|1,0,0]=3 584 B7R1.4 N[C@H]1CCC[C@H]1O F-4449 [0,1,0,1,0,0|1,0,0]=3 585 B7R1.4 N[C@H]1CCC[C@H]1O Q52258 [0,1,0,1,0,0|1,0,0]=3 586 B7R1.4 N[C@H]1COC[C@@H]1N G-6892 [0,1,0,1,0,0|1,1,0]=4 587 B7R1.4 N[C@H]1COC[C@@H]1N G-7623 [0,1,0,1,0,0|1,1,0]=4 588 B7R1.4 N[C@H]1COC[C@@H]1O F-4615 [0,1,0,1,0,0|0,1,0]=3 589 B7R1.4 N[C@H]1COC[C@@H]1O H-8081 [0,1,0,1,0,0|0,1,0]=3 590 B7R1.4 N[C@H]1COC[C@H]1O L22268 [0,1,0,1,0,0|0,1,0]=3 591 B7R1.4 N[C@H]1COC[C@H]1O P45710 [0,1,0,1,0,0|0,1,0]=3 592 B7R1.4 O=C1CCCC1O Q61720 [0,1,0,1,0,0|1,0,1]=4 593 B7R1.4 O=C1NCCC1O D-2532 [0,1,0,1,0,0|1,0,1]=4 594 B7R1.4 O=C1NCC[C@@H]1O F-4184 [0,1,0,1,0,0|1,0,1]=4 595 B7R1.4 O=C1NCC[C@H]1O O30124 [0,1,0,1,0,0|1,0,1]=4 596 B7R1.4 OC1CCC=C1Br O29401 [0,1,0,1,0,0|1,0,1]=4 597 B7R1.4 OC1CCCC1F L19027 [0,1,0,1,0,0|1,0,0]=3 598 B7R1.4 O[C@@H]1CCC[C@H]1F Q62078 [0,1,0,1,0,0|1,0,0]=3 599 B7R1.4 O[C@@H]1CNC[C@@H]1F P47689 [0,1,0,1,0,0|1,0,0]=3 600 B7R1.4 O[C@@H]1CNC[C@H]1F L22087 [0,1,0,1,0,0|1,0,0]=3 601 B7R1.4 O[C@@H]1CNC[C@H]1O I-9041 [0,1,0,1,0,0|1,0,0]=3 602 B7R1.4 O[C@H]1CCC[C@@H]1O Q61543 [0,1,0,1,0,0|1,0,0]=3 603 B7R1.4 O[C@H]1CNC[C@@H]1F G-6498 [0,1,0,1,0,0|1,0,0]=3 604 B7R1.4 O[C@H]1CNC[C@@H]1F L18425 [0,1,0,1,0,0|1,0,0]=3 605 B7R1.4 O[C@H]1CNC[C@@H]1O G-7319 [0,1,0,1,0,0|1,0,0]=3 606 B7R1.4 O[C@H]1CNC[C@@H]1O I-9326 [0,1,0,1,0,0|1,0,0]=3 607 B7R1.4 O[C@H]1CNC[C@@H]1O O33609 [0,1,0,1,0,0|1,0,0]=3 608 B7R1.4 O[C@H]1CNC[C@H]1F L14907 [0,1,0,1,0,0|1,0,0]=3 609 B7R1.4 O[C@H]1CNC[C@H]1F Q64937 [0,1,0,1,0,0|1,0,0]=3 610 B7R1.4 O[C@H]1CNC[C@H]1O G-6497 [0,1,0,1,0,0|1,0,0]=3 611 B7R1.4 O[C@H]1CNC[C@H]1O H-8791 [0,1,0,1,0,0|1,0,0]=3 612 B7R1.4 O[C@H]1COC[C@H]1O G-7040 [0,1,0,1,0,0|0,1,0]=3 613 B7R1.6 BrCCC1CCO1 Q56185 [0,1,0,1,0,0|1,0,0]=3 614 B7R1.6 BrCCC1COC1 Q62635 [0,1,0,1,0,0|2,0,0]=4 615 B7R1.6 BrCCN1CCC1 P49207 [0,1,0,1,0,0|2,0,0]=4 616 B7R1.6 CCCC1CNC1 P43152 [0,1,0,1,0,0|2,0,0]=4 617 B7R1.6 CCCC1CNC1 P44924 [0,1,0,1,0,0|2,0,0]=4 618 B7R1.6 CCNC1CCC1 P34707 [0,1,0,1,0,0|2,0,0]=4 619 B7R1.6 CCNC1CCC1 P45089 [0,1,0,1,0,0|2,0,0]=4 620 B7R1.6 CCNC1CNC1 M22745 [0,1,0,1,0,0|2,0,0]=4 621 B7R1.6 CCNC1CNC1 P45767 [0,1,0,1,0,0|2,0,0]=4 622 B7R1.6 CCNC1COC1 G-6617 [0,1,0,1,0,0|1,0,0]=3 623 B7R1.6 CCOC1CNC1 O28975 [0,1,0,1,0,0|1,1,0]=4 624 B7R1.6 CCOC1CNC1 P44497 [0,1,0,1,0,0|1,1,0]=4 625 B7R1.6 CCSC1CNC1 P46826 [0,1,0,1,0,0|1,0,0]=3 626 B7R1.6 CCSC1CNC1 P48713 [0,1,0,1,0,0|1,0,0]=3 627 B7R1.6 CNCC1CCC1 P42057 [0,1,0,1,0,0|2,0,0]=4 628 B7R1.6 CNCC1CCC1 P44415 [0,1,0,1,0,0|2,0,0]=4 629 B7R1.6 CNCC1CCO1 Q55851 [0,1,0,1,0,0|1,0,0]=3 630 B7R1.6 CNCC1COC1 G-7362 [0,1,0,1,0,0|2,0,0]=4 631 B7R1.6 COCC1CCN1 I-9954 [0,1,0,1,0,0|1,0,0]=3 632 B7R1.6 COCC1CCN1 Q56488 [0,1,0,1,0,0|1,0,0]=3 633 B7R1.6 COCC1CCN1 Q56489 [0,1,0,1,0,0|1,0,0]=3 634 B7R1.6 COCC1CNC1 C-2240 [0,1,0,1,0,0|2,0,0]=4 635 B7R1.6 COCC1CNC1 L13685 [0,1,0,1,0,0|2,0,0]=4 636 B7R1.6 COC[C@@H]1CCN1 G-6501 [0,1,0,1,0,0|1,0,0]=3 637 B7R1.6 COC[C@@H]1CCN1 L13813 [0,1,0,1,0,0|1,0,0]=3 638 B7R1.6 COC[C@H]1CCN1 G-7976 [0,1,0,1,0,0|1,0,0]=3 639 B7R1.6 ClCOC1CCC1 P49912 [0,1,0,1,0,0|2,0,0]=4 640 B7R1.6 FCCC1CNC1 P50454 [0,1,0,1,0,0|2,0,0]=4 641 B7R1.6 ICCC1CCO1 Q56184 [0,1,0,1,0,0|1,0,0]=3 642 B7R1.6 ICCC1COC1 Q62634 [0,1,0,1,0,0|2,0,0]=4 643 B7R1.6 N#CCC1CCC1 P38067 [0,1,0,1,0,0|2,0,0]=4 644 B7R1.6 NCCC1CCC1 L18182 [0,1,0,1,0,0|2,0,0]=4 645 B7R1.6 NCCC1CCC1 P48448 [0,1,0,1,0,0|2,0,0]=4 646 B7R1.6 NCCC1CCO1 O32973 [0,1,0,1,0,0|1,0,0]=3 647 B7R1.6 NCCC1CNC1 P48388 [0,1,0,1,0,0|2,0,0]=4 648 B7R1.6 NCCC1COC1 P49100 [0,1,0,1,0,0|2,0,0]=4 649 B7R1.6 NCCC1CSC1 Q58816 [0,1,0,1,0,0|2,0,0]=4 650 B7R1.6 NCCN1CCC1 L14069 [0,1,0,1,0,0|2,0,0]=4 651 B7R1.6 NCC[C@@H]1CCO1 Q56188 [0,1,0,1,0,0|1,0,0]=3 652 B7R1.6 NCC[C@H]1CCO1 Q56187 [0,1,0,1,0,0|1,0,0]=3 653 B7R1.6 NNCC1CCC1 L14190 [0,1,0,1,0,0|2,0,0]=4 654 B7R1.6 O=CCC1CCC1 P45355 [0,1,0,1,0,0|1,0,1]=4 655 B7R1.6 O=CCC1CCO1 Q56186 [0,1,0,1,0,0|0,1,1]=4 656 B7R1.6 OCC=C1CCC1 P45610 [0,1,0,1,0,0|1,0,1]=4 657 B7R1.6 OCCC1CCC1 P34706 [0,1,0,1,0,0|1,0,0]=3 658 B7R1.6 OCCC1CCO1 F-4763 [0,1,0,1,0,0|0,1,0]=3 659 B7R1.6 OCCC1CNC1 L21357 [0,1,0,1,0,0|1,0,0]=3 660 B7R1.6 OCCC1CNC1 P44027 [0,1,0,1,0,0|1,0,0]=3 661 B7R1.6 OCCC1COC1 G-5285 [0,1,0,1,0,0|1,0,0]=3 662 B7R1.6 OCCC1CSC1 Q58815 [0,1,0,1,0,0|1,0,0]=3 663 B7R1.6 OCCN1CCC1 P44493 [0,1,0,1,0,0|1,0,0]=3 664 B7R1.6 OCC[C@@H]1CCO1 Q56146 [0,1,0,1,0,0|0,1,0]=3 665 B7R1.6 OCC[C@H]1CCO1 Q56145 [0,1,0,1,0,0|0,1,0]=3 666 B7R1.8 CC1CCC1CO P48346 [0,1,0,1,0,0|1,0,0]=3 667 B7R1.8 CC1NCC1C#N P50215 [0,1,0,1,0,0|2,0,0]=4 668 B7R1.8 CC1OCC1CO Q56093 [0,1,0,1,0,0|0,1,0]=3 669 B7R1.8 CN1CCC1CN L18103 [0,1,0,1,0,0|2,0,0]=4 670 B7R1.8 CN1CCC1CN P43972 [0,1,0,1,0,0|2,0,0]=4 671 B7R1.8 CN1CCC1CO P47720 [0,1,0,1,0,0|1,0,0]=3 672 B7R1.8 CN1CC[C@@H]1CN L18105 [0,1,0,1,0,0|2,0,0]=4 673 B7R1.8 CN1CC[C@@H]1CN P43970 [0,1,0,1,0,0|2,0,0]=4 674 B7R1.8 CN1CC[C@@H]1CO P46629 [0,1,0,1,0,0|1,0,0]=3 675 B7R1.8 CN1CC[C@H]1CN L18104 [0,1,0,1,0,0|2,0,0]=4 676 B7R1.8 CN1CC[C@H]1CN P43971 [0,1,0,1,0,0|2,0,0]=4 677 B7R1.8 CN1CC[C@H]1CO P44139 [0,1,0,1,0,0|1,0,0]=3 678 B7R1.8 CO[C@@H]1CC[C@@H]1N P50889 [0,1,0,1,0,0|2,0,0]=4 679 B7R1.8 CO[C@@H]1CC[C@@H]1N P50890 [0,1,0,1,0,0|2,0,0]=4 680 B7R1.8 CO[C@@H]1CC[C@H]1N P46967 [0,1,0,1,0,0|2,0,0]=4 681 B7R1.8 CO[C@@H]1CC[C@H]1N P50886 [0,1,0,1,0,0|2,0,0]=4 682 B7R1.8 CO[C@H]1CC[C@@H]1N P50517 [0,1,0,1,0,0|2,0,0]=4 683 B7R1.8 CO[C@H]1CC[C@H]1N P50488 [0,1,0,1,0,0|2,0,0]=4 684 B7R1.8 NCC1CCC1F P47834 [0,1,0,1,0,0|2,0,0]=4 685 B7R1.8 NCC1CCC1F P50566 [0,1,0,1,0,0|2,0,0]=4 686 B7R1.8 O=C1CCC1CO L18510 [0,1,0,1,0,0|1,0,0]=3 687 B7R1.8 OCC1CCC1F P47249 [0,1,0,1,0,0|1,0,0]=3 688 B7R1.8 OCC1CCC1O P50851 [0,1,0,1,0,0|1,0,0]=3 689 B7R1.8 OC[C@@H]1CC[C@H]1O P50820 [0,1,0,1,0,0|1,0,0]=3 690 B7R1.8 OC[C@H]1CC[C@H]1O P48230 [0,1,0,1,0,0|1,0,0]=3 691 B7R1.9 OC[C@H]1C[C@H]1CO L22279 [0,1,0,1,0,0|1,0,0]=3 692 B7R1.10 C=C1CC(CO)C1 P49896 [0,1,0,1,0,0|1,0,1]=4 693 B7R1.10 CCC1CC(N)C1 P48761 [0,1,0,1,0,0|2,0,0]=4 694 B7R1.10 CCN1CC(N)C1 H-8173 [0,1,0,1,0,0|2,0,0]=4 695 B7R1.10 CCN1CC(N)C1 P46517 [0,1,0,1,0,0|2,0,0]=4 696 B7R1.10 CCN1CC(O)C1 C-2413 [0,1,0,1,0,0|1,0,0]=3 697 B7R1.10 CCN1CC(O)C1 P44328 [0,1,0,1,0,0|1,0,0]=3 698 B7R1.10 CN1CC(CO)C1 L14119 [0,1,0,1,0,0|2,0,0]=4 699 B7R1.10 CN1CC(CO)C1 P45968 [0,1,0,1,0,0|2,0,0]=4 700 B7R1.10 CNC1CC(O)C1 G-5725 [0,1,0,1,0,0|2,0,0]=4 701 B7R1.10 CNC1CC(O)C1 P48534 [0,1,0,1,0,0|2,0,0]=4 702 B7R1.10 CN[C@H]1C[C@@H](O)C1 I-9565 [0,1,0,1,0,0|2,0,0]=4 703 B7R1.10 CN[C@H]1C[C@H](O)C1 G-7351 [0,1,0,1,0,0|2,0,0]=4 704 B7R1.10 CN[C@H]1C[C@H](O)C1 P49935 [0,1,0,1,0,0|2,0,0]=4 705 B7R1.10 COC1CC(O)C1 P48191 [0,1,0,1,0,0|2,0,0]=4 706 B7R1.10 CO[C@H]1C[C@@H](O)C1 P46991 [0,1,0,1,0,0|2,0,0]=4 707 B7R1.10 CO[C@H]1C[C@H](O)C1 P46971 [0,1,0,1,0,0|2,0,0]=4 708 B7R1.10 F[C@H]1C[C@@H](CBr)C1 P46113 [0,1,0,1,0,0|2,0,0]=4 709 B7R1.10 F[C@H]1C[C@H](CBr)C1 P47090 [0,1,0,1,0,0|2,0,0]=4 710 B7R1.10 NC1CC(CO)C1 C-3529 [0,1,0,1,0,0|1,0,0]=3 711 B7R1.10 NC1CC(CO)C1 P44453 [0,1,0,1,0,0|1,0,0]=3 712 B7R1.10 NCC1CC(F)C1 G-6332 [0,1,0,1,0,0|2,0,0]=4 713 B7R1.10 NCC1CC(O)C1 G-5291 [0,1,0,1,0,0|2,0,0]=4 714 B7R1.10 NCC1CC(O)C1 P47397 [0,1,0,1,0,0|2,0,0]=4 715 B7R1.10 NC[C@H]1C[C@@H](F)C1 P43938 [0,1,0,1,0,0|2,0,0]=4 716 B7R1.10 NC[C@H]1C[C@@H](O)C1 C-2431 [0,1,0,1,0,0|2,0,0]=4 717 B7R1.10 NC[C@H]1C[C@@H](O)C1 P44178 [0,1,0,1,0,0|2,0,0]=4 718 B7R1.10 NC[C@H]1C[C@H](F)C1 G-7260 [0,1,0,1,0,0|2,0,0]=4 719 B7R1.10 NC[C@H]1C[C@H](O)C1 C-2432 [0,1,0,1,0,0|2,0,0]=4 720 B7R1.10 NC[C@H]1C[C@H](O)C1 C-2432-01 [0,1,0,1,0,0|2,0,0]=4 721 B7R1.10 N[C@H]1C[C@@H](CF)C1 P50484 [0,1,0,1,0,0|2,0,0]=4 722 B7R1.10 N[C@H]1C[C@@H](CO)C1 C-3635 [0,1,0,1,0,0|1,0,0]=3 723 B7R1.10 N[C@H]1C[C@@H](CO)C1 P48253 [0,1,0,1,0,0|1,0,0]=3 724 B7R1.10 N[C@H]1C[C@H](CO)C1 C-3636 [0,1,0,1,0,0|1,0,0]=3 725 B7R1.10 N[C@H]1C[C@H](CO)C1 P49246 [0,1,0,1,0,0|1,0,0]=3 726 B7R1.10 O=C1CC(CO)C1 D-2565 [0,1,0,1,0,0|1,0,1]=4 727 B7R1.10 O=C1CC(CO)N1 P45245 [0,1,0,1,0,0|1,0,1]=4 728 B7R1.10 O=C1C[C@H](CO)N1 Q53600 [0,1,0,1,0,0|1,0,1]=4 729 B7R1.10 OC1CC(CBr)C1 P47356 [0,1,0,1,0,0|2,0,0]=4 730 B7R1.10 OC1CC(CF)C1 P47254 [0,1,0,1,0,0|2,0,0]=4 731 B7R1.10 OCC1CC(Cl)C1 I-9035 [0,1,0,1,0,0|1,0,0]=3 732 B7R1.10 OCC1CC(F)C1 O33399 [0,1,0,1,0,0|1,0,0]=3 733 B7R1.10 OCC1CC(O)C1 P49195 [0,1,0,1,0,0|1,0,0]=3 734 B7R1.10 O[C@H]1C[C@@H](CBr)C1 P46704 [0,1,0,1,0,0|2,0,0]=4 735 B7R1.10 O[C@H]1C[C@@H](CF)C1 P46123 [0,1,0,1,0,0|2,0,0]=4 736 B7R1.10 O[C@H]1C[C@H](CBr)C1 P46014 [0,1,0,1,0,0|2,0,0]=4 737 B7R1.21 CC1(CCO)CC1 L14283 [0,1,0,1,0,0|1,0,0]=3 738 B7R1.21 OCCC1(O)CC1 O33441 [0,1,0,1,0,0|1,0,0]=3 739 B7R1.22 CCC(=O)C1CC1 I-9941 [0,1,0,1,0,0|2,0,0]=4 740 B7R1.22 CCC(N)C1CC1 L14734 [0,1,0,1,0,0|2,0,0]=4 741 B7R1.22 CCC(O)C1CC1 L14172 [0,1,0,1,0,0|2,0,0]=4 742 B7R1.22 NC(CO)C1CC1 P36106 [0,1,0,1,0,0|1,0,0]=3 743 B7R1.22 NCC(O)C1CC1 P37544 [0,1,0,1,0,0|2,0,0]=4 744 B7R1.22 N[C@@H](CO)C1CC1 P41862 [0,1,0,1,0,0|1,0,0]=3 745 B7R1.22 N[C@H](CO)C1CC1 P42349 [0,1,0,1,0,0|1,0,0]=3 746 B7R1.25 CC1(CBr)CCC1 P44691 [0,1,0,1,0,0|2,0,0]=4 747 B7R1.25 CC1(CBr)CCO1 Q54729 [0,1,0,1,0,0|1,1,0]=4 748 B7R1.25 CC1(CCl)CCC1 P45668 [0,1,0,1,0,0|2,0,0]=4 749 B7R1.25 CC1(CF)CCN1 P47255 [0,1,0,1,0,0|2,0,0]=4 750 B7R1.25 CC1(CI)CCO1 Q55856 [0,1,0,1,0,0|1,1,0]=4 751 B7R1.25 CC1(CN)CCC1 G-6314 [0,1,0,1,0,0|2,0,0]=4 752 B7R1.25 CC1(CN)CCC1 P44811 [0,1,0,1,0,0|2,0,0]=4 753 B7R1.25 CC1(CN)CCO1 Q55436 [0,1,0,1,0,0|1,1,0]=4 754 B7R1.25 CC1(CO)CCC1 P38399 [0,1,0,1,0,0|1,0,0]=3 755 B7R1.25 CC1(CO)CCN1 P48829 [0,1,0,1,0,0|1,0,0]=3 756 B7R1.25 CC1(CO)CCN1 P50194 [0,1,0,1,0,0|1,0,0]=3 757 B7R1.25 CC1(CO)CCN1 P50195 [0,1,0,1,0,0|1,0,0]=3 758 B7R1.25 CC1(CO)CCO1 Q62788 [0,1,0,1,0,0|0,1,0]=3 759 B7R1.25 CC1(CO)CNC1 L21441 [0,1,0,1,0,0|2,0,0]=4 760 B7R1.25 CC1(CO)CNC1 P48076 [0,1,0,1,0,0|2,0,0]=4 761 B7R1.25 CCC1(N)CCC1 P45271 [0,1,0,1,0,0|2,0,0]=4 762 B7R1.25 CCC1(N)CCC1 P45837 [0,1,0,1,0,0|2,0,0]=4 763 B7R1.25 FC1(CBr)CCC1 P48063 [0,1,0,1,0,0|2,0,0]=4 764 B7R1.25 NC1(CF)CCC1 P48954 [0,1,0,1,0,0|2,0,0]=4 765 B7R1.25 NC1(CF)CCC1 P48955 [0,1,0,1,0,0|2,0,0]=4 766 B7R1.25 NC1(CO)CCC1 L13691 [0,1,0,1,0,0|1,0,0]=3 767 B7R1.25 NC1(CO)CCC1 P47084 [0,1,0,1,0,0|1,0,0]=3 768 B7R1.25 NC1(CO)COC1 G-5980 [0,1,0,1,0,0|2,0,0]=4 769 B7R1.25 NCC1(F)CCC1 L14376 [0,1,0,1,0,0|2,0,0]=4 770 B7R1.25 NCC1(N)CCC1 P45183 [0,1,0,1,0,0|2,0,0]=4 771 B7R1.25 NCC1(N)CCC1 P45615 [0,1,0,1,0,0|2,0,0]=4 772 B7R1.25 NCC1(O)CCC1 L14902 [0,1,0,1,0,0|2,0,0]=4 773 B7R1.25 OCC1(F)CCC1 P48894 [0,1,0,1,0,0|1,0,0]=3 774 B7R1.25 OCC1(F)CNC1 G-7354 [0,1,0,1,0,0|2,0,0]=4 775 B7R1.25 OCC1(F)CNC1 P47031 [0,1,0,1,0,0|2,0,0]=4 776 B7R1.25 OCC1(F)COC1 G-6298 [0,1,0,1,0,0|2,0,0]=4 777 B7R1.25 OCC1(O)CNC1 L14410 [0,1,0,1,0,0|2,0,0]=4 778 B7R1.25 OCC1(O)CNC1 P44803 [0,1,0,1,0,0|2,0,0]=4 779 B7R1.25 OCC1(O)CNC1 P44804 [0,1,0,1,0,0|2,0,0]=4 780 B7R1.25 OCC1(O)COC1 L13940 [0,1,0,1,0,0|2,0,0]=4 781 B7R1.7 CCCNC1CC1 P36383 [0,1,0,1,0,0|2,0,0]=4 782 B7R1.7 CCCNC1CC1 P41552 [0,1,0,1,0,0|2,0,0]=4 783 B7R1.7 CNCCC1CC1 P40835 [0,1,0,1,0,0|2,0,0]=4 784 B7R1.7 NCCNC1CC1 O30035 [0,1,0,1,0,0|2,0,0]=4 785 B7R1.7 OCC#CC1CC1 L14728 [0,1,0,1,0,0|1,0,1]=4 786 B7R1.7 OCCNC1CC1 P38598 [0,1,0,1,0,0|1,0,0]=3 787 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P44059 [0,1,0,1,0,0|1,0,1]=4 788 B7R1.12 C[C@@H]1C[C@H]1C(=O)O L22375 [0,1,0,1,0,0|1,0,1]=4 789 B7R1.12 C[C@H]1C[C@H]1C(=O)O O33127 [0,1,0,1,0,0|1,0,1]=4 790 B7R1.14 CC1(C)CCCN1 A-592 [0,1,0,1,0,0|2,0,0]=4 791 B7R1.14 CC1(C)CCCN1 Q51927 [0,1,0,1,0,0|2,0,0]=4 792 B7R1.14 CC1(C)CCNC1 I-9310 [0,1,0,1,0,0|2,0,0]=4 793 B7R1.14 CC1(C)CCNC1 Q56449 [0,1,0,1,0,0|2,0,0]=4 794 B7R1.14 CC1(F)CCNC1 L14429 [0,1,0,1,0,0|2,0,0]=4 795 B7R1.14 CC1(F)CCNC1 Q61800 [0,1,0,1,0,0|2,0,0]=4 796 B7R1.14 CC1(N)CCCC1 Q57352 [0,1,0,1,0,0|2,0,0]=4 797 B7R1.14 CC1(N)CCNC1 Q61976 [0,1,0,1,0,0|2,0,0]=4 798 B7R1.14 CC1(N)CCNC1 Q61977 [0,1,0,1,0,0|2,0,0]=4 799 B7R1.14 CC1(N)CCOC1 F-4690 [0,1,0,1,0,0|1,1,0]=4 800 B7R1.14 CC1(O)CCNC1 D-2556 [0,1,0,1,0,0|1,0,0]=3 801 B7R1.14 CC1(O)CCNC1 O28700 [0,1,0,1,0,0|1,0,0]=3 802 B7R1.14 C[C@@]1(F)CCNC1 Q56047 [0,1,0,1,0,0|2,0,0]=4 803 B7R1.14 C[C@@]1(F)CCNC1 Q56048 [0,1,0,1,0,0|2,0,0]=4 804 B7R1.14 C[C@@]1(O)CCNC1 H-8070 [0,1,0,1,0,0|1,0,0]=3 805 B7R1.14 C[C@@]1(O)CCNC1 Q52190 [0,1,0,1,0,0|1,0,0]=3 806 B7R1.14 C[C@]1(F)CCNC1 Q61810 [0,1,0,1,0,0|2,0,0]=4 807 B7R1.14 C[C@]1(F)CCNC1 Q61811 [0,1,0,1,0,0|2,0,0]=4 808 B7R1.14 C[C@]1(O)CCNC1 H-8071 [0,1,0,1,0,0|1,0,0]=3 809 B7R1.14 C[C@]1(O)CCNC1 O33042 [0,1,0,1,0,0|1,0,0]=3 810 B7R1.14 FC1(F)CCNC1 C-2209 [0,1,0,1,0,0|2,0,0]=4 811 B7R1.17 CC1(C)CCC1O O32944 [0,1,0,1,0,0|1,0,0]=3 812 B7R1.17 CC1(C)NCC1N P44080 [0,1,0,1,0,0|2,0,0]=4 813 B7R1.17 CC1(C)NCC1N P48748 [0,1,0,1,0,0|2,0,0]=4 814 B7R1.17 CC1(C)NCC1O K13397 [0,1,0,1,0,0|1,0,0]=3 815 B7R1.17 CC1(C)NCC1O P47335 [0,1,0,1,0,0|1,0,0]=3 816 B7R1.17 CC1(C)OCC1Br Q52792 [0,1,0,1,0,0|1,1,0]=4 817 B7R1.17 CC1(C)OCC1I Q52793 [0,1,0,1,0,0|1,1,0]=4 818 B7R1.17 CC1(C)OCC1N Q52791 [0,1,0,1,0,0|1,1,0]=4 819 B7R1.17 CC1(C)OCC1O Q52790 [0,1,0,1,0,0|0,1,0]=3 820 B7R1.17 CC1(C)SCC1N Q58807 [0,1,0,1,0,0|1,0,0]=3 821 B7R1.17 CC1(C)SCC1N Q58808 [0,1,0,1,0,0|1,0,0]=3 822 B7R1.17 CC1(C)SC[C@H]1N Q58818 [0,1,0,1,0,0|1,0,0]=3 823 B7R1.17 CC1NCC1(F)F P47446 [0,1,0,1,0,0|2,0,0]=4 824 B7R1.17 C[C@@H]1NCC1(F)F P50108 [0,1,0,1,0,0|2,0,0]=4 825 B7R1.17 C[C@H]1NCC1(F)F P50083 [0,1,0,1,0,0|2,0,0]=4 826 B7R1.17 OC1CCC1(F)F P46292 [0,1,0,1,0,0|2,0,0]=4 827 B7R1.18 CC(C)C1CCN1 P45191 [0,1,0,1,0,0|2,0,0]=4 828 B7R1.18 CC(C)C1CCN1 P48185 [0,1,0,1,0,0|2,0,0]=4 829 B7R1.18 CC(N)C1CCC1 L22474 [0,1,0,1,0,0|2,0,0]=4 830 B7R1.18 CC(N)C1CCC1 P45412 [0,1,0,1,0,0|2,0,0]=4 831 B7R1.18 CC(O)C1CCC1 P45236 [0,1,0,1,0,0|1,0,0]=3 832 B7R1.18 CC(O)C1CNC1 L18023 [0,1,0,1,0,0|2,0,0]=4 833 B7R1.18 CC(O)C1CNC1 P43762 [0,1,0,1,0,0|2,0,0]=4 834 B7R1.18 CC(O)C1COC1 P47968 [0,1,0,1,0,0|2,0,0]=4 835 B7R1.18 C[C@@H](N)C1CCC1 P45187 [0,1,0,1,0,0|2,0,0]=4 836 B7R1.18 C[C@@H](N)C1CCC1 P45332 [0,1,0,1,0,0|2,0,0]=4 837 B7R1.18 C[C@@H](O)C1COC1 Q53307 [0,1,0,1,0,0|2,0,0]=4 838 B7R1.18 C[C@H](N)C1CCC1 P48628 [0,1,0,1,0,0|2,0,0]=4 839 B7R1.18 C[C@H](O)C1CCC1 P47847 [0,1,0,1,0,0|1,0,0]=3 840 B7R1.18 C[C@H](O)C1COC1 Q53308 [0,1,0,1,0,0|2,0,0]=4 841 B7R1.18 FC(F)C1CCN1 P46960 [0,1,0,1,0,0|2,0,0]=4 842 B7R1.18 FC(F)C1CCN1 P47149 [0,1,0,1,0,0|2,0,0]=4 843 B7R1.18 FC(F)[C@@H]1CCN1 P50374 [0,1,0,1,0,0|2,0,0]=4 844 B7R1.18 FC(F)[C@H]1CCN1 P50373 [0,1,0,1,0,0|2,0,0]=4 845 B7R1.18 O=C(O)C1CCN1 B-1112 [0,1,0,1,0,0|1,0,1]=4 846 B7R1.18 O=C(O)C1CCO1 D-2702 [0,1,0,1,0,0|0,1,1]=4 847 B7R1.18 O=C(O)[C@@H]1CCN1 B-1110 [0,1,0,1,0,0|1,0,1]=4 848 B7R1.18 O=C(O)[C@@H]1CCN1 P46195 [0,1,0,1,0,0|1,0,1]=4 849 B7R1.18 O=C(O)[C@@H]1CCO1 Q62698 [0,1,0,1,0,0|0,1,1]=4 850 B7R1.18 O=C(O)[C@H]1CCN1 B-1109 [0,1,0,1,0,0|1,0,1]=4 851 B7R1.18 O=C(O)[C@H]1CCN1 P45364 [0,1,0,1,0,0|1,0,1]=4 852 B7R1.18 O=C(O)[C@H]1CCO1 Q62699 [0,1,0,1,0,0|0,1,1]=4 853 B7R1.18 OB(O)C1CCC1 P45097 [0,1,0,1,0,0|2,0,0]=4 854 B7R1.20 CC(C)NC1CC1 M23094 [0,1,0,1,0,0|2,0,0]=4 855 B7R1.20 CC(O)CC1CC1 O29763 [0,1,0,1,0,0|1,0,0]=3 856 B7R1.20 O=C(O)CC1CC1 F-4292 [0,1,0,1,0,0|1,0,1]=4 857 B7R1.23 CC1(C)CC1CO P35038 [0,1,0,1,0,0|1,0,0]=3 858 B7R1.23 OCC1CC1(F)F P45542 [0,1,0,1,0,0|2,0,0]=4 859 B7R1.23 OC[C@@H]1CC1(F)F Q64118 [0,1,0,1,0,0|2,0,0]=4 860 B7R1.24 C1CNCCOC1 O28784 [0,1,0,1,0,0|1,0,0]=3 861 B7R2.13 C1=CC2OC2C1 Q61735 [0,0,0,2,0,0|1,0,1]=4 862 B7R2.13 C1CC2CC2N1 L14349 [0,0,0,2,0,0|2,0,0]=4 863 B7R2.13 C1CC2CC2N1 Q56284 [0,0,0,2,0,0|2,0,0]=4 864 B7R2.13 C1CC2NC2C1 Q59136 [0,0,0,2,0,0|2,0,0]=4 865 B7R2.13 C1C[C@@H]2C[C@@H]2N1 Q56920 [0,0,0,2,0,0|2,0,0]=4 866 B7R2.13 C1C[C@H]2C[C@H]2N1 Q56921 [0,0,0,2,0,0|2,0,0]=4 867 B7R2.13 C1NCC2CC12 C-2898 [0,0,0,2,0,0|2,0,0]=4 868 B7R2.13 C1NCC2CC12 Q52508 [0,0,0,2,0,0|2,0,0]=4 869 B7R2.13 C1OCC2OC12 I-9100 [0,0,0,2,0,0|0,1,0]=3 870 B7R2.11 C1NC2CC1C2 F-4800 [0,0,0,2,0,0|2,0,0]=4 871 B7R2.11 C1NC2CC1C2 P45727 [0,0,0,2,0,0|2,0,0]=4 872 B7R2.3 BrC1CC12CC2 Q52700 [0,0,0,2,0,0|2,0,0]=4 873 B7R2.16 C1CC2(C1)CO2 Q57662 [0,0,0,2,0,0|1,0,0]=3 874 B7R2.16 C1CC2(CC2)N1 Q53295 [0,0,0,2,0,0|2,0,0]=4 875 B7R2.16 C1CC2(CC2)N1 Q53296 [0,0,0,2,0,0|2,0,0]=4 876 B7R2.16 C1OCC12CO2 Q56041 [0,0,0,2,0,0|2,0,0]=4 877 B7R2.8 NC1C2CC1C2 P45329 [0,0,0,2,0,0|2,0,0]=4 878 B7R2.8 OC1C2CC1C2 Q61085 [0,0,0,2,0,0|1,0,0]=3 879 B7R2.18 OCC12CC1C2 Q55434 [0,0,0,2,0,0|1,0,0]=3