0 B5R0.1 CCC[C@H](C)N SPC-k309 [0,0,0,0,0,0|1,0,0]=1 1 B5R0.1 C[C@@H](N)CCO SPC-g658 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 C[C@H](N)CCO SPC-n760 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 NCCC(F)F SPC-w135 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.1 OCCC(F)F SPC-u602 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.1 C#C[C@H](C)O SPC-s670 [1,0,0,0,0,0|0,1,2]=4 6 B4R0.1 C#C[C@H](C)O SPC-t138 [1,0,0,0,0,0|0,1,2]=4 7 B4R0.1 CC(=O)CN SPC-t886 [1,0,0,0,0,0|1,1,1]=4 8 B4R0.1 FC(F)CBr SPC-p180 [1,0,0,0,0,0|3,0,0]=4 9 B4R0.2 C=CCCO SPC-t137 [1,0,0,0,0,0|0,1,2]=4 10 B6R0.2 CC(C)CB(O)O SPC-r379 [0,1,0,0,0,0|2,1,0]=4 11 B6R0.3 CC[C@@H](Br)C(=O)O SPC-t752 [0,1,0,0,0,0|1,1,1]=4 12 B6R0.3 CC[C@H](Br)C(=O)O SPC-t846 [0,1,0,0,0,0|1,1,1]=4 13 B6R0.3 C[C@@H](F)[C@@H](F)CN SPC-w140 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.3 C[C@@H](F)[C@H](F)CN SPC-w143 [0,1,0,0,0,0|2,0,0]=3 15 B6R0.5 CC(C)(C)CC=O SPC-v719 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.5 CC(F)(F)CCN SPC-w139 [0,1,0,0,0,0|2,0,0]=3 17 B6R0.5 C[Si](C)(C)CCO SPC-k286 [0,1,0,0,0,0|2,1,0]=4 18 B6R0.5 NCCC(F)(F)F SPC-k209 [0,1,0,0,0,0|3,0,0]=4 19 B6R1.2 Br[C@H]1CCOC1 SPC-h137 [0,0,0,1,0,0|2,0,0]=3 20 B6R1.2 C[C@@H]1CCCN1 SPC-n701 [0,0,0,1,0,0|1,0,0]=2 21 B6R1.2 C[C@H]1CCCN1 SPC-r295 [0,0,0,1,0,0|1,0,0]=2 22 B6R1.2 F[C@@H]1CCNC1 SPC-g912 [0,0,0,1,0,0|2,0,0]=3 23 B6R1.2 F[C@@H]1CCNC1 SPC-s680 [0,0,0,1,0,0|2,0,0]=3 24 B6R1.2 F[C@H]1CCNC1 SPC-h119 [0,0,0,1,0,0|2,0,0]=3 25 B6R1.2 F[C@H]1CCNC1 SPC-j083 [0,0,0,1,0,0|2,0,0]=3 26 B6R1.2 IC1CCCC1 SPC-n407 [0,0,0,1,0,0|1,0,0]=2 27 B6R1.2 I[C@H]1CCOC1 SPC-h290 [0,0,0,1,0,0|2,0,0]=3 28 B6R1.2 I[C@H]1CCOC1 SPC-j336 [0,0,0,1,0,0|2,0,0]=3 29 B6R1.2 N[C@@H]1CCOC1 SPC-g913 [0,0,0,1,0,0|2,0,0]=3 30 B6R1.2 N[C@H]1CCOC1 SPC-g942 [0,0,0,1,0,0|2,0,0]=3 31 B6R1.2 N[C@H]1CCOC1 SPC-g966 [0,0,0,1,0,0|2,0,0]=3 32 B6R1.2 O=C1CCNC1 SPC-g182 [0,0,0,1,0,0|1,1,1]=4 33 B6R1.2 O=C1CCOC1 SPC-g234 [0,0,0,1,0,0|1,1,1]=4 34 B6R1.2 OC1CC=CC1 SPC-n355 [0,0,0,1,0,0|0,1,2]=4 35 B6R1.2 O[C@@H]1CCNC1 SPC-g149 [0,0,0,1,0,0|1,1,0]=3 36 B6R1.2 O[C@@H]1CCOC1 SPC-g564 [0,0,0,1,0,0|1,1,0]=3 37 B6R1.2 O[C@H]1CCNC1 SPC-g033 [0,0,0,1,0,0|1,1,0]=3 38 B6R1.2 O[C@H]1CCNC1 SPC-g282 [0,0,0,1,0,0|1,1,0]=3 39 B6R1.2 O[C@H]1CCNC1 SPC-g363 [0,0,0,1,0,0|1,1,0]=3 40 B6R1.2 O[C@H]1CCOC1 SPC-g096 [0,0,0,1,0,0|1,1,0]=3 41 B6R1.2 O[C@H]1CCOC1 SPC-g256 [0,0,0,1,0,0|1,1,0]=3 42 B6R1.3 CNCC1CC1 SPC-h311 [0,0,0,1,0,0|2,0,0]=3 43 B6R1.3 ICCC1CC1 SPC-k255 [0,0,0,1,0,0|2,0,0]=3 44 B6R1.3 N#CCC1CC1 SPC-t648 [0,0,0,1,0,0|2,0,1]=4 45 B6R1.3 NCCC1CC1 SPC-t690 [0,0,0,1,0,0|2,0,0]=3 46 B6R1.3 NNCC1CC1 SPC-k402 [0,0,0,1,0,0|3,0,0]=4 47 B6R1.3 OCCC1CC1 SPC-h056 [0,0,0,1,0,0|2,0,0]=3 48 B6R1.5 CC1CC(=O)C1 SPC-n075 [0,0,0,1,0,0|0,1,1]=3 49 B6R1.5 CN1CC(=O)C1 SPC-i955 [0,0,0,1,0,0|1,1,1]=4 50 B6R1.5 CN1CC(=O)C1 SPC-p044 [0,0,0,1,0,0|1,1,1]=4 51 B6R1.5 CN1CC(Cl)C1 SPC-u755 [0,0,0,1,0,0|2,0,0]=3 52 B6R1.5 CN1CC(N)C1 SPC-a122 [0,0,0,1,0,0|2,0,0]=3 53 B6R1.5 CN1CC(N)C1 SPC-a122 [0,0,0,1,0,0|2,0,0]=3 54 B6R1.5 CN1CC(O)C1 SPC-h814 [0,0,0,1,0,0|1,1,0]=3 55 B6R1.5 C[C@H]1C[C@@H](N)C1 SPC-t414 [0,0,0,1,0,0|1,0,0]=2 56 B6R1.5 NC1CC(=O)C1 SPC-g768 [0,0,0,1,0,0|1,1,1]=4 57 B6R1.5 NC1CC(F)C1 SPC-a126 [0,0,0,1,0,0|2,0,0]=3 58 B6R1.5 NC1CC(N)C1 SPC-k955 [0,0,0,1,0,0|2,0,0]=3 59 B6R1.5 NC1CC(O)C1 SPC-h237 [0,0,0,1,0,0|1,1,0]=3 60 B6R1.5 NC1CC(O)C1 SPC-h906 [0,0,0,1,0,0|1,1,0]=3 61 B6R1.5 NN1CC(O)C1 SPC-n969 [0,0,0,1,0,0|2,1,0]=4 62 B6R1.5 N[C@H]1C[C@@H](F)C1 SPC-i447 [0,0,0,1,0,0|2,0,0]=3 63 B6R1.5 N[C@H]1C[C@@H](N)C1 SPC-i052 [0,0,0,1,0,0|2,0,0]=3 64 B6R1.5 N[C@H]1C[C@@H](O)C1 SPC-h453 [0,0,0,1,0,0|1,1,0]=3 65 B6R1.5 N[C@H]1C[C@H](F)C1 SPC-i830 [0,0,0,1,0,0|2,0,0]=3 66 B6R1.5 N[C@H]1C[C@H](N)C1 SPC-i730 [0,0,0,1,0,0|2,0,0]=3 67 B6R1.5 N[C@H]1C[C@H](N)C1 SPC-i825 [0,0,0,1,0,0|2,0,0]=3 68 B6R1.5 N[C@H]1C[C@H](O)C1 SPC-h454 [0,0,0,1,0,0|1,1,0]=3 69 B6R1.5 N[C@H]1C[C@H](O)C1 SPC-i099 [0,0,0,1,0,0|1,1,0]=3 70 B6R1.5 O=C1CC(Br)C1 SPC-i596 [0,0,0,1,0,0|1,1,1]=4 71 B6R1.5 OC1CC(F)C1 SPC-i817 [0,0,0,1,0,0|1,1,0]=3 72 B6R1.5 OC1CC(O)C1 SPC-v254 [0,0,0,1,0,0|1,1,0]=3 73 B6R1.5 O[C@H]1C[C@@H](F)C1 SPC-p948 [0,0,0,1,0,0|1,1,0]=3 74 B6R1.5 O[C@H]1C[C@H](F)C1 SPC-q477 [0,0,0,1,0,0|1,1,0]=3 75 B6R1.9 FC1(F)C[C@@H]1Br SPC-p140 [0,0,0,1,0,0|3,0,0]=4 76 B6R1.9 N[C@H]1CC1(F)F SPC-p105 [0,0,0,1,0,0|3,0,0]=4 77 B6R1.10 CC1(C)CNC1 SPC-h500 [0,0,0,1,0,0|2,0,0]=3 78 B6R1.10 CC1(F)CNC1 SPC-i733 [0,0,0,1,0,0|2,0,0]=3 79 B6R1.10 CC1(N)CCC1 SPC-h418 [0,0,0,1,0,0|1,0,0]=2 80 B6R1.10 CC1(N)CNC1 SPC-i010 [0,0,0,1,0,0|2,0,0]=3 81 B6R1.10 CC1(N)COC1 SPC-a024 [0,0,0,1,0,0|2,0,0]=3 82 B6R1.10 CC1(N)COC1 SPC-h792 [0,0,0,1,0,0|2,0,0]=3 83 B6R1.10 CC1(N)CSC1 SPC-i986 [0,0,0,1,0,0|2,0,0]=3 84 B6R1.10 CC1(O)CNC1 SPC-g917 [0,0,0,1,0,0|1,1,0]=3 85 B6R1.10 CC1(O)COC1 SPC-a027 [0,0,0,1,0,0|1,1,0]=3 86 B6R1.10 CC1(O)CSC1 SPC-n024 [0,0,0,1,0,0|1,1,0]=3 87 B6R1.10 FC1(F)CNC1 SPC-g847 [0,0,0,1,0,0|3,0,0]=4 88 B6R1.10 N=S1(=O)CCC1 SPC-w058 [0,0,0,1,0,0|2,1,0]=4 89 B6R1.11 C[C@@H](N)C1CC1 SPC-v104 [0,0,0,1,0,0|1,0,0]=2 90 B6R1.11 C[C@H](N)C1CC1 SPC-n670 [0,0,0,1,0,0|1,0,0]=2 91 B6R1.11 NC(=O)C1CC1 SPC-t155 [0,0,0,1,0,0|1,1,1]=4 92 B6R1.11 OB(O)C1CC1 SPC-g438 [0,0,0,1,0,0|2,1,0]=4 93 B5R0.3 NC[C@@H](F)CO SPC-s654 [1,1,0,0,0,0|2,0,0]=4 94 B5R0.3 NC[C@H](F)CF SPC-w136 [1,1,0,0,0,0|2,0,0]=4 95 B5R0.3 NC[C@H](F)CO SPC-s667 [1,1,0,0,0,0|2,0,0]=4 96 B5R0.4 CC(C)(F)CO SPC-t593 [1,1,0,0,0,0|2,0,0]=4 97 B5R0.4 CC(C)(O)CN SPC-g498 [1,1,0,0,0,0|1,1,0]=4 98 B5R0.4 CC(F)(F)CN SPC-w137 [1,1,0,0,0,0|2,0,0]=4 99 B7R0.10 NC[C@@H](F)[C@H](F)CF SPC-w141 [0,2,0,0,0,0|2,0,0]=4 100 B7R0.10 NC[C@H](F)[C@H](F)CF SPC-w142 [0,2,0,0,0,0|2,0,0]=4 101 B7R0.14 CC(C)(O)[C@@H](F)CN SPC-u815 [0,2,0,0,0,0|1,1,0]=4 102 B5R1.2 BrC1CCC1 SPC-p925 [1,0,0,1,0,0|1,0,0]=3 103 B5R1.2 BrC1CNC1 SPC-h907 [1,0,0,1,0,0|2,0,0]=4 104 B5R1.2 BrC1CNC1 SPC-h907 [1,0,0,1,0,0|2,0,0]=4 105 B5R1.2 BrC1COC1 SPC-g331 [1,0,0,1,0,0|2,0,0]=4 106 B5R1.2 CC1CNC1 SPC-h149 [1,0,0,1,0,0|2,0,0]=4 107 B5R1.2 C[C@H]1CCN1 SPC-i601 [1,0,0,1,0,0|1,0,0]=3 108 B5R1.2 ClC1CNC1 SPC-h126 [1,0,0,1,0,0|2,0,0]=4 109 B5R1.2 ClC1COC1 SPC-s928 [1,0,0,1,0,0|2,0,0]=4 110 B5R1.2 FC1CNC1 SPC-g878 [1,0,0,1,0,0|2,0,0]=4 111 B5R1.2 IC1CCC1 SPC-t191 [1,0,0,1,0,0|1,0,0]=3 112 B5R1.2 IC1COC1 SPC-a300 [1,0,0,1,0,0|2,0,0]=4 113 B5R1.2 NC1CCC1 SPC-a094 [1,0,0,1,0,0|1,0,0]=3 114 B5R1.2 NC1CNC1 SPC-h131 [1,0,0,1,0,0|2,0,0]=4 115 B5R1.2 NC1COC1 SPC-a019 [1,0,0,1,0,0|2,0,0]=4 116 B5R1.2 NC1CSC1 SPC-i072 [1,0,0,1,0,0|2,0,0]=4 117 B5R1.2 OC1CNC1 SPC-a234 [1,0,0,1,0,0|1,1,0]=4 118 B5R1.2 OC1COC1 SPC-a002 [1,0,0,1,0,0|1,1,0]=4 119 B5R1.2 OC1CSC1 SPC-t361 [1,0,0,1,0,0|1,1,0]=4 120 B5R1.2 SC1CNC1 SPC-i180 [1,0,0,1,0,0|1,0,0]=3 121 B5R1.2 SC1COC1 SPC-h701 [1,0,0,1,0,0|1,0,0]=3 122 B5R1.3 CNC1CC1 SPC-g900 [1,0,0,1,0,0|2,0,0]=4 123 B5R1.3 OC[C@H]1CO1 SPC-t630 [1,0,0,1,0,0|1,1,0]=4 124 B5R1.4 N[C@H]1C[C@@H]1N SPC-w109 [1,0,0,1,0,0|2,0,0]=4 125 B5R1.4 N[C@H]1C[C@H]1F SPC-v508 [1,0,0,1,0,0|2,0,0]=4 126 B5R1.4 N[C@H]1C[C@H]1N SPC-w110 [1,0,0,1,0,0|2,0,0]=4 127 B5R1.5 CC1(Br)CC1 SPC-m868 [1,0,0,1,0,0|1,0,0]=3 128 B5R1.5 CC1(C)CO1 SPC-p106 [1,0,0,1,0,0|2,0,0]=4 129 B5R1.5 CC1(N)CC1 SPC-q800 [1,0,0,1,0,0|1,0,0]=3 130 B5R1.5 CC1(O)CC1 SPC-m882 [1,0,0,1,0,0|0,1,0]=3 131 B7R1.1 BrCC1=CCCC1 SPC-n905 [0,1,0,1,0,0|1,0,1]=4 132 B7R1.1 BrCC1CCCC1 SPC-s715 [0,1,0,1,0,0|1,0,0]=3 133 B7R1.1 BrC[C@H]1CCCO1 SPC-g076 [0,1,0,1,0,0|0,1,0]=3 134 B7R1.1 BrC[C@H]1CCOC1 SPC-h480 [0,1,0,1,0,0|2,0,0]=4 135 B7R1.1 C#C[C@@H]1CCCN1 SPC-p226 [0,1,0,1,0,0|1,0,1]=4 136 B7R1.1 CC[C@@H]1CCNC1 SPC-m807 [0,1,0,1,0,0|2,0,0]=4 137 B7R1.1 CC[C@H]1CCNC1 SPC-m813 [0,1,0,1,0,0|2,0,0]=4 138 B7R1.1 CN[C@@H]1CCOC1 SPC-u441 [0,1,0,1,0,0|2,0,0]=4 139 B7R1.1 CN[C@H]1CCOC1 SPC-j154 [0,1,0,1,0,0|2,0,0]=4 140 B7R1.1 CN[C@H]1CCOC1 SPC-t742 [0,1,0,1,0,0|2,0,0]=4 141 B7R1.1 CO[C@@H]1CCNC1 SPC-h272 [0,1,0,1,0,0|1,1,0]=4 142 B7R1.1 CO[C@H]1CCNC1 SPC-h271 [0,1,0,1,0,0|1,1,0]=4 143 B7R1.1 CO[C@H]1CCNC1 SPC-h273 [0,1,0,1,0,0|1,1,0]=4 144 B7R1.1 FC[C@@H]1CCCN1 SPC-h660 [0,1,0,1,0,0|1,0,0]=3 145 B7R1.1 FC[C@@H]1CCNC1 SPC-v090 [0,1,0,1,0,0|2,0,0]=4 146 B7R1.1 FC[C@H]1CCCN1 SPC-j761 [0,1,0,1,0,0|1,0,0]=3 147 B7R1.1 IC[C@H]1CCOC1 SPC-j340 [0,1,0,1,0,0|2,0,0]=4 148 B7R1.1 N#C[C@@H]1CCCN1 SPC-j755 [0,1,0,1,0,0|1,0,1]=4 149 B7R1.1 N#C[C@@H]1CCCN1 SPC-j756 [0,1,0,1,0,0|1,0,1]=4 150 B7R1.1 N#C[C@@H]1CCNC1 SPC-m809 [0,1,0,1,0,0|2,0,0]=4 151 B7R1.1 N#C[C@@H]1CCOC1 SPC-i063 [0,1,0,1,0,0|2,0,0]=4 152 B7R1.1 N#C[C@H]1CCNC1 SPC-m594 [0,1,0,1,0,0|2,0,0]=4 153 B7R1.1 N#C[C@H]1CCNC1 SPC-n498 [0,1,0,1,0,0|2,0,0]=4 154 B7R1.1 N#C[C@H]1CCOC1 SPC-g788 [0,1,0,1,0,0|2,0,0]=4 155 B7R1.1 NCC1CCCC1 SPC-k191 [0,1,0,1,0,0|1,0,0]=3 156 B7R1.1 NCC1CCCC1 SPC-t893 [0,1,0,1,0,0|1,0,0]=3 157 B7R1.1 NC[C@@H]1CCCN1 SPC-k181 [0,1,0,1,0,0|1,0,0]=3 158 B7R1.1 NC[C@@H]1CCOC1 SPC-j343 [0,1,0,1,0,0|2,0,0]=4 159 B7R1.1 NC[C@@H]1CCOC1 SPC-j344 [0,1,0,1,0,0|2,0,0]=4 160 B7R1.1 NC[C@H]1CCOC1 SPC-g368 [0,1,0,1,0,0|2,0,0]=4 161 B7R1.1 NC[C@H]1CCOC1 SPC-g369 [0,1,0,1,0,0|2,0,0]=4 162 B7R1.1 NC[C@H]1CCOC1 SPC-j341 [0,1,0,1,0,0|2,0,0]=4 163 B7R1.1 OCC1OCCO1 SPC-s002 [0,1,0,1,0,0|1,1,0]=4 164 B7R1.1 OC[C@@H]1CCCN1 SPC-g330 [0,1,0,1,0,0|1,0,0]=3 165 B7R1.1 OC[C@@H]1CCNC1 SPC-k806 [0,1,0,1,0,0|1,1,0]=4 166 B7R1.1 OC[C@@H]1CCNC1 SPC-n751 [0,1,0,1,0,0|1,1,0]=4 167 B7R1.1 OC[C@@H]1CCOC1 SPC-h734 [0,1,0,1,0,0|1,1,0]=4 168 B7R1.1 OC[C@H]1CCCN1 SPC-m785 [0,1,0,1,0,0|1,0,0]=3 169 B7R1.1 OC[C@H]1CCNC1 SPC-k804 [0,1,0,1,0,0|1,1,0]=4 170 B7R1.1 OC[C@H]1CCNC1 SPC-k805 [0,1,0,1,0,0|1,1,0]=4 171 B7R1.1 OC[C@H]1CCNC1 SPC-n768 [0,1,0,1,0,0|1,1,0]=4 172 B7R1.1 OC[C@H]1CCOC1 SPC-j339 [0,1,0,1,0,0|1,1,0]=4 173 B7R1.1 OC[C@H]1CCOC1 SPC-n475 [0,1,0,1,0,0|1,1,0]=4 174 B7R1.2 CN1CC[C@@H](N)C1 SPC-j082 [0,1,0,1,0,0|1,0,0]=3 175 B7R1.2 CN1CC[C@@H](O)C1 SPC-j193 [0,1,0,1,0,0|0,1,0]=3 176 B7R1.2 CN1CC[C@H](N)C1 SPC-j081 [0,1,0,1,0,0|1,0,0]=3 177 B7R1.2 CN1CC[C@H](N)C1 SPC-m812 [0,1,0,1,0,0|1,0,0]=3 178 B7R1.2 CN1CC[C@H](O)C1 SPC-j192 [0,1,0,1,0,0|0,1,0]=3 179 B7R1.2 C[C@@H]1CC[C@@H](C)N1 SPC-s036 [0,1,0,1,0,0|1,0,0]=3 180 B7R1.2 C[C@@H]1CNC(=O)C1 SPC-r288 [0,1,0,1,0,0|0,1,1]=4 181 B7R1.2 C[C@@H]1C[C@H](O)CN1 SPC-q565 [0,1,0,1,0,0|0,1,0]=3 182 B7R1.2 C[C@H]1CC[C@@H](C)N1 SPC-s037 [0,1,0,1,0,0|1,0,0]=3 183 B7R1.2 C[C@H]1CNC(=O)C1 SPC-n787 [0,1,0,1,0,0|0,1,1]=4 184 B7R1.2 C[C@H]1C[C@@H](O)CN1 SPC-r278 [0,1,0,1,0,0|0,1,0]=3 185 B7R1.2 C[C@H]1C[C@H](O)CN1 SPC-n775 [0,1,0,1,0,0|0,1,0]=3 186 B7R1.2 NC1CCC(O)C1 SPC-k139 [0,1,0,1,0,0|0,1,0]=3 187 B7R1.2 N[C@@H]1CC[C@@H](O)C1 SPC-m760 [0,1,0,1,0,0|0,1,0]=3 188 B7R1.2 N[C@@H]1CC[C@H](O)C1 SPC-m283 [0,1,0,1,0,0|0,1,0]=3 189 B7R1.2 N[C@H]1CC[C@@H](F)C1 SPC-s017 [0,1,0,1,0,0|1,0,0]=3 190 B7R1.2 N[C@H]1CC[C@@H](O)C1 SPC-m402 [0,1,0,1,0,0|0,1,0]=3 191 B7R1.2 N[C@H]1CC[C@H](O)C1 SPC-m401 [0,1,0,1,0,0|0,1,0]=3 192 B7R1.2 O=C1CC[C@H](O)C1 SPC-q537 [0,1,0,1,0,0|0,1,1]=4 193 B7R1.2 O=C1C[C@@H](S)CN1 SPC-u488 [0,1,0,1,0,0|1,0,1]=4 194 B7R1.2 OC1CCC(O)C1 SPC-n357 [0,1,0,1,0,0|0,1,0]=3 195 B7R1.2 O[C@@H]1CC[C@@H](O)C1 SPC-s639 [0,1,0,1,0,0|0,1,0]=3 196 B7R1.2 O[C@H]1CC[C@@H](O)C1 SPC-q785 [0,1,0,1,0,0|0,1,0]=3 197 B7R1.3 BrC1CCOCC1 SPC-g434 [0,1,0,1,0,0|1,0,0]=3 198 B7R1.3 C=C1CCOCC1 SPC-m646 [0,1,0,1,0,0|1,0,1]=4 199 B7R1.3 CC1=CCCNC1 SPC-m637 [0,1,0,1,0,0|1,0,1]=4 200 B7R1.3 CC1=CCNCC1 SPC-h455 [0,1,0,1,0,0|1,0,1]=4 201 B7R1.3 C[C@@H]1CNCCN1 SPC-g041 [0,1,0,1,0,0|1,0,0]=3 202 B7R1.3 C[C@@H]1CNCCO1 SPC-n699 [0,1,0,1,0,0|0,1,0]=3 203 B7R1.3 C[C@@H]1COCCN1 SPC-g660 [0,1,0,1,0,0|1,0,0]=3 204 B7R1.3 C[C@H]1CNCCO1 SPC-m798 [0,1,0,1,0,0|0,1,0]=3 205 B7R1.3 C[C@H]1COCCN1 SPC-m696 [0,1,0,1,0,0|1,0,0]=3 206 B7R1.3 FC1CCNCC1 SPC-g555 [0,1,0,1,0,0|1,0,0]=3 207 B7R1.3 F[C@@H]1CCCNC1 SPC-i353 [0,1,0,1,0,0|1,0,0]=3 208 B7R1.3 F[C@H]1CCCNC1 SPC-i164 [0,1,0,1,0,0|1,0,0]=3 209 B7R1.3 F[C@H]1CCCNC1 SPC-j119 [0,1,0,1,0,0|1,0,0]=3 210 B7R1.3 IC1CCOCC1 SPC-g782 [0,1,0,1,0,0|1,0,0]=3 211 B7R1.3 NC1CCOCC1 SPC-g166 [0,1,0,1,0,0|1,0,0]=3 212 B7R1.3 NC1CCSCC1 SPC-a111 [0,1,0,1,0,0|1,0,0]=3 213 B7R1.3 N[C@@H]1CCCOC1 SPC-s681 [0,1,0,1,0,0|1,0,0]=3 214 B7R1.3 N[C@H]1CCCOC1 SPC-n767 [0,1,0,1,0,0|1,0,0]=3 215 B7R1.3 O=C1CCCNC1 SPC-q237 [0,1,0,1,0,0|0,1,1]=4 216 B7R1.3 O=C1CCCOC1 SPC-g865 [0,1,0,1,0,0|0,1,1]=4 217 B7R1.3 O=C1CCCSC1 SPC-k221 [0,1,0,1,0,0|0,1,1]=4 218 B7R1.3 O=C1CCOCC1 SPC-g072 [0,1,0,1,0,0|0,1,1]=4 219 B7R1.3 O=C1CCSCC1 SPC-g130 [0,1,0,1,0,0|0,1,1]=4 220 B7R1.3 OC1CCOCC1 SPC-g695 [0,1,0,1,0,0|0,1,0]=3 221 B7R1.3 O[C@@H]1CCCNC1 SPC-j185 [0,1,0,1,0,0|0,1,0]=3 222 B7R1.3 O[C@@H]1CCCOC1 SPC-u362 [0,1,0,1,0,0|0,1,0]=3 223 B7R1.3 O[C@H]1CCCNC1 SPC-g006 [0,1,0,1,0,0|0,1,0]=3 224 B7R1.3 O[C@H]1CCCNC1 SPC-g045 [0,1,0,1,0,0|0,1,0]=3 225 B7R1.3 O[C@H]1CCCNC1 SPC-h058 [0,1,0,1,0,0|0,1,0]=3 226 B7R1.3 O[C@H]1CCCOC1 SPC-h213 [0,1,0,1,0,0|0,1,0]=3 227 B7R1.3 O[C@H]1CCCOC1 SPC-u595 [0,1,0,1,0,0|0,1,0]=3 228 B7R1.3 SC1CCNCC1 SPC-m332 [0,1,0,1,0,0|0,0,0]=2 229 B7R1.3 S[C@H]1CCCNC1 SPC-n485 [0,1,0,1,0,0|0,0,0]=2 230 B7R1.4 CC1CNCC1C SPC-t668 [0,1,0,1,0,0|2,0,0]=4 231 B7R1.4 C[C@@H]1CNC[C@@H]1O SPC-r275 [0,1,0,1,0,0|1,1,0]=4 232 B7R1.4 C[C@@H]1CNC[C@H]1O SPC-r274 [0,1,0,1,0,0|1,1,0]=4 233 B7R1.4 C[C@@H]1COC[C@H]1N SPC-q478 [0,1,0,1,0,0|2,0,0]=4 234 B7R1.4 F[C@H]1CNC[C@@H]1F SPC-q471 [0,1,0,1,0,0|2,0,0]=4 235 B7R1.4 F[C@H]1CNC[C@H]1F SPC-m145 [0,1,0,1,0,0|2,0,0]=4 236 B7R1.4 N[C@@H]1CCC[C@@H]1O SPC-q799 [0,1,0,1,0,0|0,1,0]=3 237 B7R1.4 N[C@@H]1CCC[C@@H]1O SPC-v328 [0,1,0,1,0,0|0,1,0]=3 238 B7R1.4 N[C@@H]1CCC[C@H]1F SPC-t364 [0,1,0,1,0,0|1,0,0]=3 239 B7R1.4 N[C@@H]1CCC[C@H]1N SPC-q798 [0,1,0,1,0,0|1,0,0]=3 240 B7R1.4 N[C@@H]1CCC[C@H]1O SPC-k050 [0,1,0,1,0,0|0,1,0]=3 241 B7R1.4 N[C@@H]1COC[C@@H]1N SPC-j842 [0,1,0,1,0,0|2,0,0]=4 242 B7R1.4 N[C@@H]1COC[C@@H]1N SPC-p941 [0,1,0,1,0,0|2,0,0]=4 243 B7R1.4 N[C@@H]1COC[C@H]1N SPC-r344 [0,1,0,1,0,0|2,0,0]=4 244 B7R1.4 N[C@@H]1COC[C@H]1O SPC-s070 [0,1,0,1,0,0|1,1,0]=4 245 B7R1.4 N[C@H]1CCC[C@@H]1O SPC-k049 [0,1,0,1,0,0|0,1,0]=3 246 B7R1.4 N[C@H]1CCC[C@H]1N SPC-s473 [0,1,0,1,0,0|1,0,0]=3 247 B7R1.4 N[C@H]1CCC[C@H]1O SPC-s007 [0,1,0,1,0,0|0,1,0]=3 248 B7R1.4 N[C@H]1COC[C@@H]1O SPC-m803 [0,1,0,1,0,0|1,1,0]=4 249 B7R1.4 N[C@H]1COC[C@H]1O SPC-r345 [0,1,0,1,0,0|1,1,0]=4 250 B7R1.4 N[C@H]1COC[C@H]1O SPC-u832 [0,1,0,1,0,0|1,1,0]=4 251 B7R1.4 O[C@@H]1CNC[C@@H]1F SPC-v112 [0,1,0,1,0,0|1,1,0]=4 252 B7R1.4 O[C@@H]1CNC[C@H]1F SPC-r283 [0,1,0,1,0,0|1,1,0]=4 253 B7R1.4 O[C@@H]1CNC[C@H]1O SPC-m311 [0,1,0,1,0,0|1,1,0]=4 254 B7R1.4 O[C@H]1CNC[C@@H]1F SPC-n773 [0,1,0,1,0,0|1,1,0]=4 255 B7R1.4 O[C@H]1CNC[C@@H]1O SPC-m146 [0,1,0,1,0,0|1,1,0]=4 256 B7R1.4 O[C@H]1CNC[C@@H]1O SPC-s074 [0,1,0,1,0,0|1,1,0]=4 257 B7R1.4 O[C@H]1CNC[C@H]1F SPC-p954 [0,1,0,1,0,0|1,1,0]=4 258 B7R1.4 O[C@H]1CNC[C@H]1O SPC-i555 [0,1,0,1,0,0|1,1,0]=4 259 B7R1.4 O[C@H]1COC[C@H]1O SPC-h743 [0,1,0,1,0,0|1,1,0]=4 260 B7R1.6 CCNC1COC1 SPC-a295 [0,1,0,1,0,0|1,1,0]=4 261 B7R1.6 CCOC1CNC1 SPC-u336 [0,1,0,1,0,0|2,0,0]=4 262 B7R1.6 CNCC1COC1 SPC-a301 [0,1,0,1,0,0|1,1,0]=4 263 B7R1.6 COCC1CNC1 SPC-h904 [0,1,0,1,0,0|2,0,0]=4 264 B7R1.6 COCC1CNC1 SPC-h928 [0,1,0,1,0,0|2,0,0]=4 265 B7R1.6 COC[C@@H]1CCN1 SPC-i094 [0,1,0,1,0,0|2,0,0]=4 266 B7R1.6 COC[C@@H]1CCN1 SPC-n711 [0,1,0,1,0,0|2,0,0]=4 267 B7R1.6 COC[C@H]1CCN1 SPC-h990 [0,1,0,1,0,0|2,0,0]=4 268 B7R1.6 COC[C@H]1CCN1 SPC-i646 [0,1,0,1,0,0|2,0,0]=4 269 B7R1.6 NCCC1CCC1 SPC-p217 [0,1,0,1,0,0|2,0,0]=4 270 B7R1.6 NCCC1COC1 SPC-t456 [0,1,0,1,0,0|1,1,0]=4 271 B7R1.6 NCC[C@H]1CCO1 SPC-s809 [0,1,0,1,0,0|1,1,0]=4 272 B7R1.6 OCCC1CNC1 SPC-a312 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.6 OCCC1CNC1 SPC-q679 [0,1,0,1,0,0|2,0,0]=4 274 B7R1.6 OCCC1COC1 SPC-a030 [0,1,0,1,0,0|1,1,0]=4 275 B7R1.6 OCC[C@H]1CCO1 SPC-t605 [0,1,0,1,0,0|1,1,0]=4 276 B7R1.10 CCN1CC(N)C1 SPC-i103 [0,1,0,1,0,0|1,0,0]=3 277 B7R1.10 CCN1CC(O)C1 SPC-i868 [0,1,0,1,0,0|0,1,0]=3 278 B7R1.10 CN1CC(CN)C1 SPC-a123 [0,1,0,1,0,0|2,0,0]=4 279 B7R1.10 CN1CC(CO)C1 SPC-m755 [0,1,0,1,0,0|1,1,0]=4 280 B7R1.10 CNC1CN(C)C1 SPC-h979 [0,1,0,1,0,0|2,0,0]=4 281 B7R1.10 CN[C@H]1C[C@H](O)C1 SPC-i936 [0,1,0,1,0,0|0,1,0]=3 282 B7R1.10 COC1CC(=O)C1 SPC-i084 [0,1,0,1,0,0|0,1,1]=4 283 B7R1.10 COC1CC(N)C1 SPC-h655 [0,1,0,1,0,0|1,0,0]=3 284 B7R1.10 N#CC1CC(F)C1 SPC-q757 [0,1,0,1,0,0|1,0,1]=4 285 B7R1.10 N#CC1CC(O)C1 SPC-i870 [0,1,0,1,0,0|0,1,1]=4 286 B7R1.10 N#C[C@H]1C[C@@H](O)C1 SPC-u824 [0,1,0,1,0,0|0,1,1]=4 287 B7R1.10 N#C[C@H]1C[C@H](N)C1 SPC-t371 [0,1,0,1,0,0|1,0,1]=4 288 B7R1.10 N#C[C@H]1C[C@H](O)C1 SPC-v028 [0,1,0,1,0,0|0,1,1]=4 289 B7R1.10 NC1CC(CO)C1 SPC-h550 [0,1,0,1,0,0|1,0,0]=3 290 B7R1.10 NCC1CC(F)C1 SPC-h035 [0,1,0,1,0,0|1,0,0]=3 291 B7R1.10 NCC1CC(O)C1 SPC-i622 [0,1,0,1,0,0|0,1,0]=3 292 B7R1.10 NC[C@H]1C[C@@H](O)C1 SPC-h960 [0,1,0,1,0,0|0,1,0]=3 293 B7R1.10 NC[C@H]1C[C@H](O)C1 SPC-h558 [0,1,0,1,0,0|0,1,0]=3 294 B7R1.10 O=C1CC(CBr)C1 SPC-h451 [0,1,0,1,0,0|0,1,1]=4 295 B7R1.10 O=C1CC(CCl)C1 SPC-i140 [0,1,0,1,0,0|0,1,1]=4 296 B7R1.10 O=C1CC(CO)C1 SPC-h515 [0,1,0,1,0,0|0,1,1]=4 297 B7R1.10 OCC1CC(Cl)C1 SPC-h593 [0,1,0,1,0,0|1,0,0]=3 298 B7R1.10 OCC1CC(F)C1 SPC-s675 [0,1,0,1,0,0|1,0,0]=3 299 B7R1.10 OCC1CC(O)C1 SPC-v198 [0,1,0,1,0,0|0,1,0]=3 300 B7R1.21 CC1(CCO)CC1 SPC-p066 [0,1,0,1,0,0|2,0,0]=4 301 B7R1.21 OCCC1(O)CC1 SPC-t472 [0,1,0,1,0,0|1,1,0]=4 302 B7R1.22 CC[C@H](N)C1CC1 SPC-n986 [0,1,0,1,0,0|1,0,0]=3 303 B7R1.22 N[C@H](CO)C1CC1 SPC-t738 [0,1,0,1,0,0|1,0,0]=3 304 B7R1.25 C#CC1(C)COC1 SPC-n057 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.25 CC1(C#N)CNC1 SPC-h582 [0,1,0,1,0,0|2,0,0]=4 306 B7R1.25 CC1(C#N)COC1 SPC-i359 [0,1,0,1,0,0|2,0,0]=4 307 B7R1.25 CC1(C=O)COC1 SPC-a029 [0,1,0,1,0,0|1,1,0]=4 308 B7R1.25 CC1(CBr)COC1 SPC-h211 [0,1,0,1,0,0|2,0,0]=4 309 B7R1.25 CC1(CI)COC1 SPC-g872 [0,1,0,1,0,0|2,0,0]=4 310 B7R1.25 CC1(CN)CCC1 SPC-h987 [0,1,0,1,0,0|1,0,0]=3 311 B7R1.25 CC1(CN)CNC1 SPC-i294 [0,1,0,1,0,0|2,0,0]=4 312 B7R1.25 CC1(CN)COC1 SPC-a025 [0,1,0,1,0,0|2,0,0]=4 313 B7R1.25 CC1(CO)CCC1 SPC-o100 [0,1,0,1,0,0|0,1,0]=3 314 B7R1.25 CC1(CO)CNC1 SPC-i603 [0,1,0,1,0,0|1,1,0]=4 315 B7R1.25 CC1(CO)COC1 SPC-a028 [0,1,0,1,0,0|1,1,0]=4 316 B7R1.25 CC1(CO)CSC1 SPC-a105 [0,1,0,1,0,0|1,1,0]=4 317 B7R1.25 CCC1(N)CNC1 SPC-s932 [0,1,0,1,0,0|2,0,0]=4 318 B7R1.25 CCC1(N)COC1 SPC-i068 [0,1,0,1,0,0|2,0,0]=4 319 B7R1.25 CCC1(O)CNC1 SPC-i547 [0,1,0,1,0,0|1,1,0]=4 320 B7R1.25 CCC1(O)COC1 SPC-w032 [0,1,0,1,0,0|1,1,0]=4 321 B7R1.25 CNC1(C)COC1 SPC-i109 [0,1,0,1,0,0|2,0,0]=4 322 B7R1.25 CNC1(C)COC1 SPC-i954 [0,1,0,1,0,0|2,0,0]=4 323 B7R1.25 COC1(C)CNC1 SPC-i510 [0,1,0,1,0,0|1,1,0]=4 324 B7R1.25 C[C@]1(CO)CCO1 SPC-v359 [0,1,0,1,0,0|1,1,0]=4 325 B7R1.25 FC1(CBr)COC1 SPC-i451 [0,1,0,1,0,0|2,0,0]=4 326 B7R1.25 FC1(CI)COC1 SPC-i416 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.25 NC1(CF)COC1 SPC-v304 [0,1,0,1,0,0|2,0,0]=4 328 B7R1.25 NC1(CO)CCC1 SPC-h940 [0,1,0,1,0,0|1,0,0]=3 329 B7R1.25 NC1(CO)COC1 SPC-a048 [0,1,0,1,0,0|2,0,0]=4 330 B7R1.25 NCC1(F)CCC1 SPC-k558 [0,1,0,1,0,0|1,0,0]=3 331 B7R1.25 NCC1(F)COC1 SPC-a078 [0,1,0,1,0,0|2,0,0]=4 332 B7R1.25 NCC1(N)CCC1 SPC-w108 [0,1,0,1,0,0|1,0,0]=3 333 B7R1.25 NCC1(N)COC1 SPC-i378 [0,1,0,1,0,0|2,0,0]=4 334 B7R1.25 NCC1(O)CCC1 SPC-n896 [0,1,0,1,0,0|0,1,0]=3 335 B7R1.25 NCC1(O)COC1 SPC-a035 [0,1,0,1,0,0|1,1,0]=4 336 B7R1.25 OCC1(F)CNC1 SPC-i385 [0,1,0,1,0,0|2,0,0]=4 337 B7R1.25 OCC1(F)COC1 SPC-a358 [0,1,0,1,0,0|2,0,0]=4 338 B7R1.25 OCC1(O)CNC1 SPC-n325 [0,1,0,1,0,0|1,1,0]=4 339 B7R1.25 OCC1(O)COC1 SPC-p277 [0,1,0,1,0,0|1,1,0]=4 340 B7R1.16 CC1(C)CC(=O)C1 SPC-q743 [0,1,0,1,0,0|0,1,1]=4 341 B7R1.16 CC1(C)CC(N)C1 SPC-i087 [0,1,0,1,0,0|1,0,0]=3 342 B7R1.16 CC1(C)CC(O)C1 SPC-s261 [0,1,0,1,0,0|0,1,0]=3 343 B7R1.16 CC1(F)CC(N)C1 SPC-i468 [0,1,0,1,0,0|1,0,0]=3 344 B7R1.16 CC1(N)CC(=O)C1 SPC-s904 [0,1,0,1,0,0|0,1,1]=4 345 B7R1.16 CC1(N)CC(F)C1 SPC-u585 [0,1,0,1,0,0|1,0,0]=3 346 B7R1.16 CC1(N)CC(O)C1 SPC-i295 [0,1,0,1,0,0|0,1,0]=3 347 B7R1.16 FC1(F)CC(Br)C1 SPC-i327 [0,1,0,1,0,0|2,0,0]=4 348 B7R1.16 NC1CC(F)(F)C1 SPC-a129 [0,1,0,1,0,0|2,0,0]=4 349 B7R1.16 OC1CC(F)(F)C1 SPC-i104 [0,1,0,1,0,0|1,1,0]=4 350 B7R1.17 CC1(C)CCC1=O SPC-s190 [0,1,0,1,0,0|1,0,1]=4 351 B7R1.17 CC1(C)CC[C@@H]1O SPC-s189 [0,1,0,1,0,0|1,0,0]=3 352 B7R1.17 CC1(C)OC[C@@H]1N SPC-v294 [0,1,0,1,0,0|2,0,0]=4 353 B7R1.18 CC(=O)C1CCC1 SPC-h776 [0,1,0,1,0,0|0,1,1]=4 354 B7R1.18 CC(=O)C1COC1 SPC-r005 [0,1,0,1,0,0|0,1,1]=4 355 B7R1.18 CN(C)C1CNC1 SPC-h819 [0,1,0,1,0,0|2,0,0]=4 356 B7R1.18 CN(C)C1CNC1 SPC-i513 [0,1,0,1,0,0|2,0,0]=4 357 B7R1.18 C[C@H](N)C1CCC1 SPC-i309 [0,1,0,1,0,0|1,0,0]=3 358 B7R1.18 C[C@H](N)C1COC1 SPC-q999 [0,1,0,1,0,0|1,0,0]=3 359 B7R1.18 C[C@H](O)C1CCC1 SPC-u195 [0,1,0,1,0,0|0,1,0]=3 360 B7R1.18 C[C@H](O)C1CNC1 SPC-m855 [0,1,0,1,0,0|0,1,0]=3 361 B7R1.18 C[C@H](O)C1COC1 SPC-u843 [0,1,0,1,0,0|0,1,0]=3 362 B7R1.18 FC(F)C1CNC1 SPC-i138 [0,1,0,1,0,0|2,0,0]=4 363 B7R1.19 CC(C)C1(O)CC1 SPC-q810 [0,1,0,1,0,0|1,0,0]=3 364 B7R1.23 OC[C@@H]1CC1(F)F SPC-v049 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.23 OC[C@H]1CC1(F)F SPC-v218 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.14 CC1(C)CCCN1 SPC-p107 [0,1,0,1,0,0|1,0,0]=3 367 B7R1.14 CC1(C)CCNC1 SPC-m061 [0,1,0,1,0,0|1,0,0]=3 368 B7R1.14 C[C@@]1(O)CCNC1 SPC-n747 [0,1,0,1,0,0|0,1,0]=3 369 B7R1.14 C[C@]1(F)CCNC1 SPC-n059 [0,1,0,1,0,0|1,0,0]=3 370 B7R1.14 C[C@]1(N)CCOC1 SPC-m234 [0,1,0,1,0,0|1,0,0]=3 371 B7R1.14 C[C@]1(O)CCNC1 SPC-g916 [0,1,0,1,0,0|0,1,0]=3 372 B7R1.14 C[C@]1(O)CCNC1 SPC-j188 [0,1,0,1,0,0|0,1,0]=3 373 B7R1.14 C[C@]1(O)CCNC1 SPC-n763 [0,1,0,1,0,0|0,1,0]=3 374 B7R1.14 C[C@]1(O)CCNC1 SPC-s688 [0,1,0,1,0,0|0,1,0]=3 375 B7R1.14 FC1(F)CCNC1 SPC-g879 [0,1,0,1,0,0|2,0,0]=4 376 B7R1.14 N=S1(=O)CCCC1 SPC-w059 [0,1,0,1,0,0|1,1,0]=4 377 B7R2.11 C1NC2CC1C2 SPC-i373 [0,0,0,2,0,0|1,0,0]=3 378 B7R2.13 C1CC2CC2N1 SPC-p171 [0,0,0,2,0,0|1,0,0]=3 379 B7R2.13 C1NCC2CC12 SPC-a322 [0,0,0,2,0,0|2,0,0]=4 380 B7R2.16 C1CC12CNC2 SPC-t527 [0,0,0,2,0,0|2,0,0]=4 381 B7R2.5 NC12CC(C1)C2 SPC-a120a [0,0,0,2,0,0|1,0,0]=3