0 B4R1.2 OC1CC1 SPC-h306 [0,0,0,0,0,0|2,0,0]=2 1 B5R1.3 CNC1CC1 SPC-g900 [0,1,0,0,0,0|1,0,0]=2 2 B5R1.3 OC[C@H]1CO1 SPC-t630 [0,1,0,0,0,0|0,0,0]=1 3 B5R1.4 N[C@H]1C[C@@H]1N SPC-w109 [0,1,0,0,0,0|2,0,0]=3 4 B5R1.4 N[C@H]1C[C@H]1F SPC-v508 [0,1,0,0,0,0|2,0,0]=3 5 B5R1.4 N[C@H]1C[C@H]1N SPC-w110 [0,1,0,0,0,0|2,0,0]=3 6 B5R1.5 CC1(Br)CC1 SPC-m868 [0,1,0,0,0,0|1,0,0]=2 7 B5R1.5 CC1(C)CO1 SPC-p106 [0,1,0,0,0,0|0,0,0]=1 8 B5R1.5 CC1(N)CC1 SPC-q800 [0,1,0,0,0,0|1,0,0]=2 9 B5R1.5 CC1(O)CC1 SPC-m882 [0,1,0,0,0,0|1,0,0]=2 10 B3R0.1 N#CCF SPC-v280 [0,0,1,0,0,0|2,0,1]=4 11 B3R0.2 CB(O)O SPC-j988 [0,0,1,0,0,0|2,0,0]=3 12 B5R1.2 BrC1CCC1 SPC-p925 [0,0,0,0,0,1|2,0,0]=3 13 B5R1.2 BrC1CNC1 SPC-h907 [0,0,0,0,0,1|2,0,0]=3 14 B5R1.2 BrC1CNC1 SPC-h907 [0,0,0,0,0,1|2,0,0]=3 15 B5R1.2 BrC1COC1 SPC-g331 [0,0,0,0,0,1|1,0,0]=2 16 B5R1.2 CC1CNC1 SPC-h149 [0,0,0,0,0,1|1,0,0]=2 17 B5R1.2 C[C@H]1CCN1 SPC-i601 [0,0,0,0,0,1|1,0,0]=2 18 B5R1.2 ClC1CNC1 SPC-h126 [0,0,0,0,0,1|2,0,0]=3 19 B5R1.2 ClC1COC1 SPC-s928 [0,0,0,0,0,1|1,0,0]=2 20 B5R1.2 FC1CNC1 SPC-g878 [0,0,0,0,0,1|2,0,0]=3 21 B5R1.2 IC1CCC1 SPC-t191 [0,0,0,0,0,1|2,0,0]=3 22 B5R1.2 IC1COC1 SPC-a300 [0,0,0,0,0,1|1,0,0]=2 23 B5R1.2 NC1CCC1 SPC-a094 [0,0,0,0,0,1|2,0,0]=3 24 B5R1.2 NC1CNC1 SPC-h131 [0,0,0,0,0,1|2,0,0]=3 25 B5R1.2 NC1COC1 SPC-a019 [0,0,0,0,0,1|1,0,0]=2 26 B5R1.2 NC1CSC1 SPC-i072 [0,0,0,0,0,1|1,1,0]=3 27 B5R1.2 O=C1CCN1 SPC-t120 [0,0,0,0,0,1|2,0,1]=4 28 B5R1.2 O=C1CNC1 SPC-h722 [0,0,0,0,0,1|2,0,1]=4 29 B5R1.2 O=C1CSC1 SPC-a100 [0,0,0,0,0,1|1,1,1]=4 30 B5R1.2 OC1CNC1 SPC-a234 [0,0,0,0,0,1|2,0,0]=3 31 B5R1.2 OC1COC1 SPC-a002 [0,0,0,0,0,1|1,0,0]=2 32 B5R1.2 OC1CSC1 SPC-t361 [0,0,0,0,0,1|1,1,0]=3 33 B5R1.2 SC1CNC1 SPC-i180 [0,0,0,0,0,1|2,0,0]=3 34 B5R1.2 SC1COC1 SPC-h701 [0,0,0,0,0,1|1,0,0]=2 35 B4R0.1 C#C[C@H](C)O SPC-s670 [0,1,1,0,0,0|0,0,2]=4 36 B4R0.1 C#C[C@H](C)O SPC-t138 [0,1,1,0,0,0|0,0,2]=4 37 B4R0.1 CC(=O)CN SPC-t886 [0,1,1,0,0,0|1,0,1]=4 38 B4R0.1 FC(F)CBr SPC-p180 [0,1,1,0,0,0|2,0,0]=4 39 B4R0.2 C=CCCO SPC-t137 [0,1,1,0,0,0|0,0,1]=3 40 B4R0.3 C[N+](C)(C)C SPC-w001 [0,1,1,0,0,0|2,0,0]=4 41 B6R1.4 CC1OCC1O SPC-r006 [0,1,0,0,0,1|0,0,0]=2 42 B6R1.4 C[C@@H]1NC[C@@H]1O SPC-u139 [0,1,0,0,0,1|1,0,0]=3 43 B6R1.4 C[C@@H]1NC[C@@H]1O SPC-u948 [0,1,0,0,0,1|1,0,0]=3 44 B6R1.4 C[C@@H]1NC[C@H]1O SPC-u025 [0,1,0,0,0,1|1,0,0]=3 45 B6R1.4 C[C@@H]1OCC1=O SPC-p252 [0,1,0,0,0,1|0,0,0]=2 46 B6R1.4 C[C@H]1NC[C@H]1O SPC-v658 [0,1,0,0,0,1|1,0,0]=3 47 B6R1.4 NC1CCC1O SPC-u019 [0,1,0,0,0,1|2,0,0]=4 48 B6R1.4 N[C@@H]1CC[C@@H]1O SPC-u564 [0,1,0,0,0,1|2,0,0]=4 49 B6R1.4 N[C@@H]1CC[C@H]1N SPC-a439 [0,1,0,0,0,1|2,0,0]=4 50 B6R1.4 N[C@@H]1CNC1=O SPC-u597 [0,1,0,0,0,1|2,0,0]=4 51 B6R1.4 N[C@H]1CC[C@H]1N SPC-a438 [0,1,0,0,0,1|2,0,0]=4 52 B6R1.4 N[C@H]1CNC1=O SPC-s686 [0,1,0,0,0,1|2,0,0]=4 53 B6R1.4 O=C1CC[C@@H]1Br SPC-u765 [0,1,0,0,0,1|2,0,0]=4 54 B6R1.5 CC1CC(=O)C1 SPC-n075 [0,1,0,0,0,1|1,0,0]=3 55 B6R1.5 CN1CC(=O)C1 SPC-i955 [0,1,0,0,0,1|2,0,0]=4 56 B6R1.5 CN1CC(=O)C1 SPC-p044 [0,1,0,0,0,1|2,0,0]=4 57 B6R1.5 CN1CC(Cl)C1 SPC-u755 [0,1,0,0,0,1|2,0,0]=4 58 B6R1.5 CN1CC(N)C1 SPC-a122 [0,1,0,0,0,1|2,0,0]=4 59 B6R1.5 CN1CC(N)C1 SPC-a122 [0,1,0,0,0,1|2,0,0]=4 60 B6R1.5 CN1CC(O)C1 SPC-h814 [0,1,0,0,0,1|2,0,0]=4 61 B6R1.5 C[C@H]1C[C@@H](N)C1 SPC-t414 [0,1,0,0,0,1|1,0,0]=3 62 B6R1.5 NC1CC(=O)C1 SPC-g768 [0,1,0,0,0,1|2,0,0]=4 63 B6R1.5 NC1CC(F)C1 SPC-a126 [0,1,0,0,0,1|2,0,0]=4 64 B6R1.5 NC1CC(N)C1 SPC-k955 [0,1,0,0,0,1|2,0,0]=4 65 B6R1.5 NC1CC(O)C1 SPC-h237 [0,1,0,0,0,1|2,0,0]=4 66 B6R1.5 NC1CC(O)C1 SPC-h906 [0,1,0,0,0,1|2,0,0]=4 67 B6R1.5 NN1CC(O)C1 SPC-n969 [0,1,0,0,0,1|2,0,0]=4 68 B6R1.5 N[C@H]1C[C@@H](F)C1 SPC-i447 [0,1,0,0,0,1|2,0,0]=4 69 B6R1.5 N[C@H]1C[C@@H](N)C1 SPC-i052 [0,1,0,0,0,1|2,0,0]=4 70 B6R1.5 N[C@H]1C[C@@H](O)C1 SPC-h453 [0,1,0,0,0,1|2,0,0]=4 71 B6R1.5 N[C@H]1C[C@H](F)C1 SPC-i830 [0,1,0,0,0,1|2,0,0]=4 72 B6R1.5 N[C@H]1C[C@H](N)C1 SPC-i730 [0,1,0,0,0,1|2,0,0]=4 73 B6R1.5 N[C@H]1C[C@H](N)C1 SPC-i825 [0,1,0,0,0,1|2,0,0]=4 74 B6R1.5 N[C@H]1C[C@H](O)C1 SPC-h454 [0,1,0,0,0,1|2,0,0]=4 75 B6R1.5 N[C@H]1C[C@H](O)C1 SPC-i099 [0,1,0,0,0,1|2,0,0]=4 76 B6R1.5 O=C1CC(Br)C1 SPC-i596 [0,1,0,0,0,1|2,0,0]=4 77 B6R1.5 OC1CC(F)C1 SPC-i817 [0,1,0,0,0,1|2,0,0]=4 78 B6R1.5 OC1CC(O)C1 SPC-v254 [0,1,0,0,0,1|2,0,0]=4 79 B6R1.5 O[C@H]1C[C@@H](F)C1 SPC-p948 [0,1,0,0,0,1|2,0,0]=4 80 B6R1.5 O[C@H]1C[C@H](F)C1 SPC-q477 [0,1,0,0,0,1|2,0,0]=4 81 B6R1.6 BrCC1COC1 SPC-i089 [0,1,0,0,0,1|0,0,0]=2 82 B6R1.6 BrC[C@H]1CCO1 SPC-i209 [0,1,0,0,0,1|0,0,0]=2 83 B6R1.6 C#CC1CNC1 SPC-u916 [0,1,0,0,0,1|1,0,1]=4 84 B6R1.6 C#CC1COC1 SPC-u963 [0,1,0,0,0,1|0,0,1]=3 85 B6R1.6 CNC1CNC1 SPC-i584 [0,1,0,0,0,1|1,0,0]=3 86 B6R1.6 CNC1COC1 SPC-a021 [0,1,0,0,0,1|0,0,0]=2 87 B6R1.6 COC1CNC1 SPC-g356 [0,1,0,0,0,1|1,0,0]=3 88 B6R1.6 CSC1CNC1 SPC-h865 [0,1,0,0,0,1|1,0,0]=3 89 B6R1.6 CSC1CNC1 SPC-u349 [0,1,0,0,0,1|1,0,0]=3 90 B6R1.6 ClCC1COC1 SPC-t682 [0,1,0,0,0,1|0,0,0]=2 91 B6R1.6 FCC1CNC1 SPC-v205 [0,1,0,0,0,1|1,0,0]=3 92 B6R1.6 ICC1CCC1 SPC-m826 [0,1,0,0,0,1|1,0,0]=3 93 B6R1.6 ICC1COC1 SPC-i045 [0,1,0,0,0,1|0,0,0]=2 94 B6R1.6 IC[C@H]1CCO1 SPC-i189 [0,1,0,0,0,1|0,0,0]=2 95 B6R1.6 N#CC1CNC1 SPC-g567 [0,1,0,0,0,1|1,0,1]=4 96 B6R1.6 N#C[C@@H]1CCN1 SPC-p919 [0,1,0,0,0,1|1,0,1]=4 97 B6R1.6 N#C[C@H]1CCN1 SPC-u912 [0,1,0,0,0,1|1,0,1]=4 98 B6R1.6 NCC1CCC1 SPC-a097 [0,1,0,0,0,1|1,0,0]=3 99 B6R1.6 NCC1CCC1 SPC-g882 [0,1,0,0,0,1|1,0,0]=3 100 B6R1.6 NCC1COC1 SPC-a020 [0,1,0,0,0,1|0,0,0]=2 101 B6R1.6 NCC1COC1 SPC-n824 [0,1,0,0,0,1|0,0,0]=2 102 B6R1.6 NCC1CSC1 SPC-a104 [0,1,0,0,0,1|0,1,0]=3 103 B6R1.6 NCC1CSC1 SPC-i360 [0,1,0,0,0,1|0,1,0]=3 104 B6R1.6 NC[C@H]1CCN1 SPC-i204 [0,1,0,0,0,1|1,0,0]=3 105 B6R1.6 NC[C@H]1CCO1 SPC-a305 [0,1,0,0,0,1|0,0,0]=2 106 B6R1.6 O=CC1COC1 SPC-r007 [0,1,0,0,0,1|0,0,1]=3 107 B6R1.6 OCC1CNC1 SPC-a250 [0,1,0,0,0,1|1,0,0]=3 108 B6R1.6 OCC1CNC1 SPC-j113 [0,1,0,0,0,1|1,0,0]=3 109 B6R1.6 OCC1COC1 SPC-a076 [0,1,0,0,0,1|0,0,0]=2 110 B6R1.6 OCC1CSC1 SPC-i307 [0,1,0,0,0,1|0,1,0]=3 111 B6R1.6 OC[C@@H]1CCN1 SPC-i144 [0,1,0,0,0,1|1,0,0]=3 112 B6R1.6 OC[C@H]1CCN1 SPC-i191 [0,1,0,0,0,1|1,0,0]=3 113 B6R1.6 OC[C@H]1CCN1 SPC-k756 [0,1,0,0,0,1|1,0,0]=3 114 B6R1.6 OC[C@H]1CCO1 SPC-a306 [0,1,0,0,0,1|0,0,0]=2 115 B6R1.10 CC1(C)CNC1 SPC-h500 [0,1,0,0,0,1|1,0,0]=3 116 B6R1.10 CC1(F)CNC1 SPC-i733 [0,1,0,0,0,1|1,0,0]=3 117 B6R1.10 CC1(N)CCC1 SPC-h418 [0,1,0,0,0,1|1,0,0]=3 118 B6R1.10 CC1(N)CNC1 SPC-i010 [0,1,0,0,0,1|1,0,0]=3 119 B6R1.10 CC1(N)COC1 SPC-a024 [0,1,0,0,0,1|0,0,0]=2 120 B6R1.10 CC1(N)COC1 SPC-h792 [0,1,0,0,0,1|0,0,0]=2 121 B6R1.10 CC1(N)CSC1 SPC-i986 [0,1,0,0,0,1|0,1,0]=3 122 B6R1.10 CC1(O)CNC1 SPC-g917 [0,1,0,0,0,1|1,0,0]=3 123 B6R1.10 CC1(O)COC1 SPC-a027 [0,1,0,0,0,1|0,0,0]=2 124 B6R1.10 CC1(O)CSC1 SPC-n024 [0,1,0,0,0,1|0,1,0]=3 125 B6R1.10 FC1(F)CNC1 SPC-g847 [0,1,0,0,0,1|2,0,0]=4 126 B6R1.3 CNCC1CC1 SPC-h311 [0,2,0,0,0,0|1,0,0]=3 127 B6R1.3 ICCC1CC1 SPC-k255 [0,2,0,0,0,0|1,0,0]=3 128 B6R1.3 N#CCC1CC1 SPC-t648 [0,2,0,0,0,0|1,0,0]=3 129 B6R1.3 NCCC1CC1 SPC-t690 [0,2,0,0,0,0|1,0,0]=3 130 B6R1.3 NNCC1CC1 SPC-k402 [0,2,0,0,0,0|1,0,0]=3 131 B6R1.3 OCCC1CC1 SPC-h056 [0,2,0,0,0,0|1,0,0]=3 132 B6R1.7 C#CC1(N)CC1 SPC-n989 [0,2,0,0,0,0|1,0,1]=4 133 B6R1.7 CC1(CO)CC1 SPC-s643 [0,2,0,0,0,0|1,0,0]=3 134 B6R1.7 CCC1(N)CC1 SPC-m910 [0,2,0,0,0,0|1,0,0]=3 135 B6R1.7 C[C@@]1(CO)CO1 SPC-v389 [0,2,0,0,0,0|0,0,0]=2 136 B6R1.7 N#CC1(N)CC1 SPC-k335 [0,2,0,0,0,0|1,0,1]=4 137 B6R1.7 NC1(CO)CC1 SPC-m032 [0,2,0,0,0,0|1,0,0]=3 138 B6R1.7 NC1(CO)CC1 SPC-n639 [0,2,0,0,0,0|1,0,0]=3 139 B6R1.7 NCC1(F)CC1 SPC-u921 [0,2,0,0,0,0|1,0,0]=3 140 B6R1.7 NCC1(N)CC1 SPC-w107 [0,2,0,0,0,0|1,0,0]=3 141 B6R1.7 NCC1(O)CC1 SPC-t963 [0,2,0,0,0,0|1,0,0]=3 142 B6R1.11 C[C@@H](N)C1CC1 SPC-v104 [0,2,0,0,0,0|1,0,0]=3 143 B6R1.11 C[C@H](N)C1CC1 SPC-n670 [0,2,0,0,0,0|1,0,0]=3 144 B6R1.11 NC(=O)C1CC1 SPC-t155 [0,2,0,0,0,0|1,0,1]=4 145 B6R1.11 OB(O)C1CC1 SPC-g438 [0,2,0,0,0,0|2,0,0]=4 146 B6R1.9 FC1(F)C[C@@H]1Br SPC-p140 [0,2,0,0,0,0|2,0,0]=4 147 B6R1.9 N[C@H]1CC1(F)F SPC-p105 [0,2,0,0,0,0|2,0,0]=4 148 B4R1.1 C1CNC1 SPC-g160 [0,0,1,1,0,0|1,0,0]=3 149 B4R1.1 C1CNC1 SPC-p889 [0,0,1,1,0,0|1,0,0]=3 150 B4R1.1 C1CNC1 SPC-p889 [0,0,1,1,0,0|1,0,0]=3 151 B6R1.2 Br[C@H]1CCOC1 SPC-h137 [0,0,0,0,0,2|1,0,0]=3 152 B6R1.2 CC1=COC=N1 SPC-n151 [0,0,0,0,0,2|0,0,2]=4 153 B6R1.2 C[C@@H]1CCCN1 SPC-n701 [0,0,0,0,0,2|1,0,0]=3 154 B6R1.2 C[C@H]1CCCN1 SPC-r295 [0,0,0,0,0,2|1,0,0]=3 155 B6R1.2 F[C@@H]1CCNC1 SPC-g912 [0,0,0,0,0,2|2,0,0]=4 156 B6R1.2 F[C@@H]1CCNC1 SPC-s680 [0,0,0,0,0,2|2,0,0]=4 157 B6R1.2 F[C@H]1CCNC1 SPC-h119 [0,0,0,0,0,2|2,0,0]=4 158 B6R1.2 F[C@H]1CCNC1 SPC-j083 [0,0,0,0,0,2|2,0,0]=4 159 B6R1.2 IC1=COCC1 SPC-t718 [0,0,0,0,0,2|1,0,1]=4 160 B6R1.2 IC1CCCC1 SPC-n407 [0,0,0,0,0,2|2,0,0]=4 161 B6R1.2 I[C@H]1CCOC1 SPC-h290 [0,0,0,0,0,2|1,0,0]=3 162 B6R1.2 I[C@H]1CCOC1 SPC-j336 [0,0,0,0,0,2|1,0,0]=3 163 B6R1.2 N[C@@H]1CCOC1 SPC-g913 [0,0,0,0,0,2|1,0,0]=3 164 B6R1.2 N[C@H]1CCOC1 SPC-g942 [0,0,0,0,0,2|1,0,0]=3 165 B6R1.2 N[C@H]1CCOC1 SPC-g966 [0,0,0,0,0,2|1,0,0]=3 166 B6R1.2 O=C1C=CCO1 SPC-t619 [0,0,0,0,0,2|1,0,1]=4 167 B6R1.2 O=C1CCOC1 SPC-g234 [0,0,0,0,0,2|1,0,1]=4 168 B6R1.2 OC1CC=CC1 SPC-n355 [0,0,0,0,0,2|2,0,0]=4 169 B6R1.2 O[C@@H]1CCNC1 SPC-g149 [0,0,0,0,0,2|2,0,0]=4 170 B6R1.2 O[C@@H]1CCOC1 SPC-g564 [0,0,0,0,0,2|1,0,0]=3 171 B6R1.2 O[C@H]1CCNC1 SPC-g033 [0,0,0,0,0,2|2,0,0]=4 172 B6R1.2 O[C@H]1CCNC1 SPC-g282 [0,0,0,0,0,2|2,0,0]=4 173 B6R1.2 O[C@H]1CCNC1 SPC-g363 [0,0,0,0,0,2|2,0,0]=4 174 B6R1.2 O[C@H]1CCOC1 SPC-g096 [0,0,0,0,0,2|1,0,0]=3 175 B6R1.2 O[C@H]1CCOC1 SPC-g256 [0,0,0,0,0,2|1,0,0]=3