0 B4R0.1 C#C[C@H](C)O SPC-s670 [0,0,0,0,0,0|0,0,4]=4 1 B4R0.1 C#C[C@H](C)O SPC-t138 [0,0,0,0,0,0|0,0,4]=4 2 B4R0.1 CC(=O)CN SPC-t886 [0,0,0,0,0,0|1,0,0]=1 3 B4R0.1 FC(F)CBr SPC-p180 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 NC(=O)CI SPC-s873 [0,0,0,0,0,0|2,0,0]=2 5 B3R0.1 N#CCF SPC-v280 [1,0,0,0,0,0|2,0,1]=4 6 B3R0.2 CB(O)O SPC-j988 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 CCC[C@H](C)N SPC-k309 [0,1,0,0,0,0|1,0,1]=3 8 B5R0.1 C[C@@H](N)CCO SPC-g658 [0,1,0,0,0,0|1,0,1]=3 9 B5R0.1 C[C@H](N)CCO SPC-n760 [0,1,0,0,0,0|1,0,1]=3 10 B5R0.1 NCCC(F)F SPC-w135 [0,1,0,0,0,0|2,0,1]=4 11 B5R0.1 OCCC(F)F SPC-u602 [0,1,0,0,0,0|2,0,1]=4 12 B5R0.3 C=C(CCl)CCl SPC-g310 [0,1,0,0,0,0|2,0,0]=3 13 B5R0.3 C=C(CO)CO SPC-g493 [0,1,0,0,0,0|2,0,0]=3 14 B5R0.3 NC[C@@H](F)CO SPC-s654 [0,1,0,0,0,0|2,0,1]=4 15 B5R0.3 NC[C@H](F)CF SPC-w136 [0,1,0,0,0,0|2,0,1]=4 16 B5R0.3 NC[C@H](F)CO SPC-s667 [0,1,0,0,0,0|2,0,1]=4 17 B5R0.4 CC(C)(F)CO SPC-t593 [0,1,0,0,0,0|2,0,1]=4 18 B5R0.4 CC(C)(O)CN SPC-g498 [0,1,0,0,0,0|1,0,2]=4 19 B5R0.4 CC(F)(F)CN SPC-w137 [0,1,0,0,0,0|2,0,1]=4 20 B5R0.4 CNS(N)(=O)=O SPC-u184 [0,1,0,0,0,0|3,0,0]=4 21 B5R1.2 BrC1CCC1 SPC-p925 [0,0,0,1,0,0|1,0,1]=3 22 B5R1.2 BrC1CNC1 SPC-h907 [0,0,0,1,0,0|2,0,1]=4 23 B5R1.2 BrC1CNC1 SPC-h907 [0,0,0,1,0,0|2,0,1]=4 24 B5R1.2 BrC1COC1 SPC-g331 [0,0,0,1,0,0|2,0,1]=4 25 B5R1.2 CC1CNC1 SPC-h149 [0,0,0,1,0,0|2,0,1]=4 26 B5R1.2 C[C@H]1CCN1 SPC-i601 [0,0,0,1,0,0|1,0,1]=3 27 B5R1.2 ClC1CNC1 SPC-h126 [0,0,0,1,0,0|2,0,1]=4 28 B5R1.2 ClC1COC1 SPC-s928 [0,0,0,1,0,0|2,0,1]=4 29 B5R1.2 FC1CNC1 SPC-g878 [0,0,0,1,0,0|2,0,1]=4 30 B5R1.2 IC1CCC1 SPC-t191 [0,0,0,1,0,0|1,0,1]=3 31 B5R1.2 IC1COC1 SPC-a300 [0,0,0,1,0,0|2,0,1]=4 32 B5R1.2 NC1CCC1 SPC-a094 [0,0,0,1,0,0|1,0,1]=3 33 B5R1.2 NC1CNC1 SPC-h131 [0,0,0,1,0,0|2,0,1]=4 34 B5R1.2 NC1COC1 SPC-a019 [0,0,0,1,0,0|2,0,1]=4 35 B5R1.2 NC1CSC1 SPC-i072 [0,0,0,1,0,0|2,0,1]=4 36 B5R1.2 O=C1CCN1 SPC-t120 [0,0,0,1,0,0|1,0,0]=2 37 B5R1.2 O=C1CNC1 SPC-h722 [0,0,0,1,0,0|1,0,0]=2 38 B5R1.2 O=C1CSC1 SPC-a100 [0,0,0,1,0,0|1,0,0]=2 39 B5R1.2 OC1CNC1 SPC-a234 [0,0,0,1,0,0|1,0,2]=4 40 B5R1.2 OC1COC1 SPC-a002 [0,0,0,1,0,0|1,0,2]=4 41 B5R1.2 OC1CSC1 SPC-t361 [0,0,0,1,0,0|1,0,2]=4 42 B5R1.2 SC1CNC1 SPC-i180 [0,0,0,1,0,0|1,1,1]=4 43 B5R1.2 SC1COC1 SPC-h701 [0,0,0,1,0,0|1,1,1]=4 44 B5R1.3 CNC1CC1 SPC-g900 [0,0,0,1,0,0|2,0,1]=4 45 B5R1.3 OC[C@H]1CO1 SPC-t630 [0,0,0,1,0,0|1,0,2]=4 46 B5R1.4 N[C@H]1C[C@@H]1N SPC-w109 [0,0,0,1,0,0|2,0,1]=4 47 B5R1.4 N[C@H]1C[C@H]1F SPC-v508 [0,0,0,1,0,0|2,0,1]=4 48 B5R1.4 N[C@H]1C[C@H]1N SPC-w110 [0,0,0,1,0,0|2,0,1]=4 49 B5R1.5 CC1(Br)CC1 SPC-m868 [0,0,0,1,0,0|1,0,1]=3 50 B5R1.5 CC1(C)CO1 SPC-p106 [0,0,0,1,0,0|2,0,1]=4 51 B5R1.5 CC1(N)CC1 SPC-q800 [0,0,0,1,0,0|1,0,1]=3 52 B5R1.5 CC1(O)CC1 SPC-m882 [0,0,0,1,0,0|0,0,2]=3 53 B4R0.2 C=CCCO SPC-t137 [1,1,0,0,0,0|0,0,1]=3 54 B4R0.3 C[N+](C)(C)C SPC-w001 [1,1,0,0,0,0|2,0,0]=4 55 B6R0.1 CCOC(=O)C#N SPC-g163 [0,2,0,0,0,0|0,0,1]=3 56 B6R0.3 CC(C)C(=O)NN SPC-t733 [0,2,0,0,0,0|1,0,0]=3 57 B6R0.3 CC[C@@H](Br)C(=O)O SPC-t752 [0,2,0,0,0,0|1,0,0]=3 58 B6R0.3 CC[C@H](Br)C(=O)O SPC-t846 [0,2,0,0,0,0|1,0,0]=3 59 B6R0.3 CN[C@@H](C)C(=O)O SPC-s663 [0,2,0,0,0,0|1,0,0]=3 60 B6R0.3 CON(C)C(C)=O SPC-t100 [0,2,0,0,0,0|1,0,0]=3 61 B6R0.3 CO[C@@H](C)C(=O)O SPC-h233 [0,2,0,0,0,0|1,0,0]=3 62 B6R0.3 CO[C@@H](C)C(=O)O SPC-t778 [0,2,0,0,0,0|1,0,0]=3 63 B6R0.3 C[C@@H](F)[C@@H](F)CN SPC-w140 [0,2,0,0,0,0|1,0,1]=4 64 B6R0.3 C[C@@H](F)[C@H](F)CN SPC-w143 [0,2,0,0,0,0|1,0,1]=4 65 B6R0.4 CC\C=C\C(=O)O SPC-t510 [0,2,0,0,0,0|1,0,0]=3 66 B6R0.5 CC(F)(F)CCN SPC-w139 [0,2,0,0,0,0|1,0,1]=4 67 B6R0.5 C[Si](C)(C)CCO SPC-k286 [0,2,0,0,0,0|1,1,0]=4 68 B6R0.5 O=S(=O)(Cl)CCCl SPC-t537 [0,2,0,0,0,0|2,0,0]=4 69 B6R0.8 CCC(F)(F)CN SPC-w138 [0,2,0,0,0,0|1,0,1]=4 70 B6R0.7 CC(C)(C)[S@@](N)=O SPC-g440 [0,2,0,0,0,0|2,0,0]=4 71 B6R0.7 CC(C)(C)[S@@](N)=O SPC-s712 [0,2,0,0,0,0|2,0,0]=4 72 B6R0.7 CC(C)(C)[S@](N)=O SPC-g211 [0,2,0,0,0,0|2,0,0]=4 73 B6R0.7 CC(F)(F)C(=O)O SPC-u702 [0,2,0,0,0,0|1,0,0]=3 74 B6R0.7 O=C(O)C(F)(F)F SPC-i053 [0,2,0,0,0,0|2,0,0]=4 75 B6R0.7 O=C(O)C(F)(F)F SPC-i652 [0,2,0,0,0,0|2,0,0]=4 76 B6R0.7 O=C(O)C(F)(F)F SPC-s652 [0,2,0,0,0,0|2,0,0]=4 77 B6R0.7 O=C(O)C(F)(F)F SPC-s662 [0,2,0,0,0,0|2,0,0]=4 78 B6R0.7 O=C(O)C(F)(F)F SPC-v387 [0,2,0,0,0,0|2,0,0]=4 79 B4R1.1 C1CNC1 SPC-g160 [1,0,0,1,0,0|1,0,0]=3 80 B4R1.1 C1CNC1 SPC-p889 [1,0,0,1,0,0|1,0,0]=3 81 B4R1.1 C1CNC1 SPC-p889 [1,0,0,1,0,0|1,0,0]=3 82 B4R1.2 OC1CC1 SPC-h306 [1,0,0,1,0,0|0,0,2]=4 83 B6R1.2 Br[C@H]1CCOC1 SPC-h137 [0,1,0,1,0,0|1,0,1]=4 84 B6R1.2 C[C@@H]1CCCN1 SPC-n701 [0,1,0,1,0,0|1,0,1]=4 85 B6R1.2 C[C@H]1CCCN1 SPC-r295 [0,1,0,1,0,0|1,0,1]=4 86 B6R1.2 F[C@@H]1CCNC1 SPC-g912 [0,1,0,1,0,0|1,0,1]=4 87 B6R1.2 F[C@@H]1CCNC1 SPC-s680 [0,1,0,1,0,0|1,0,1]=4 88 B6R1.2 F[C@H]1CCNC1 SPC-h119 [0,1,0,1,0,0|1,0,1]=4 89 B6R1.2 F[C@H]1CCNC1 SPC-j083 [0,1,0,1,0,0|1,0,1]=4 90 B6R1.2 IC1=COCC1 SPC-t718 [0,1,0,1,0,0|1,0,1]=4 91 B6R1.2 IC1CCCC1 SPC-n407 [0,1,0,1,0,0|1,0,1]=4 92 B6R1.2 I[C@H]1CCOC1 SPC-h290 [0,1,0,1,0,0|1,0,1]=4 93 B6R1.2 I[C@H]1CCOC1 SPC-j336 [0,1,0,1,0,0|1,0,1]=4 94 B6R1.2 N[C@@H]1CCOC1 SPC-g913 [0,1,0,1,0,0|1,0,1]=4 95 B6R1.2 N[C@H]1CCOC1 SPC-g942 [0,1,0,1,0,0|1,0,1]=4 96 B6R1.2 N[C@H]1CCOC1 SPC-g966 [0,1,0,1,0,0|1,0,1]=4 97 B6R1.2 O=C1C=CCC1 SPC-g207 [0,1,0,1,0,0|0,0,1]=3 98 B6R1.2 O=C1C=CCO1 SPC-t619 [0,1,0,1,0,0|0,0,2]=4 99 B6R1.2 O=C1CCNC1 SPC-g182 [0,1,0,1,0,0|0,0,0]=2 100 B6R1.2 O=C1CCOC1 SPC-g234 [0,1,0,1,0,0|0,0,0]=2 101 B6R1.2 O[C@@H]1CCNC1 SPC-g149 [0,1,0,1,0,0|0,0,2]=4 102 B6R1.2 O[C@@H]1CCOC1 SPC-g564 [0,1,0,1,0,0|0,0,2]=4 103 B6R1.2 O[C@H]1CCNC1 SPC-g033 [0,1,0,1,0,0|0,0,2]=4 104 B6R1.2 O[C@H]1CCNC1 SPC-g282 [0,1,0,1,0,0|0,0,2]=4 105 B6R1.2 O[C@H]1CCNC1 SPC-g363 [0,1,0,1,0,0|0,0,2]=4 106 B6R1.2 O[C@H]1CCOC1 SPC-g096 [0,1,0,1,0,0|0,0,2]=4 107 B6R1.2 O[C@H]1CCOC1 SPC-g256 [0,1,0,1,0,0|0,0,2]=4 108 B6R1.3 CNCC1CC1 SPC-h311 [0,1,0,1,0,0|1,0,1]=4 109 B6R1.3 ICCC1CC1 SPC-k255 [0,1,0,1,0,0|1,0,1]=4 110 B6R1.3 NCCC1CC1 SPC-t690 [0,1,0,1,0,0|1,0,1]=4 111 B6R1.3 OCCC1CC1 SPC-h056 [0,1,0,1,0,0|1,0,1]=4 112 B6R1.5 CC1CC(=O)C1 SPC-n075 [0,1,0,1,0,0|0,0,0]=2 113 B6R1.5 CN1CC(=O)C1 SPC-i955 [0,1,0,1,0,0|0,0,0]=2 114 B6R1.5 CN1CC(=O)C1 SPC-p044 [0,1,0,1,0,0|0,0,0]=2 115 B6R1.5 CN1CC(Cl)C1 SPC-u755 [0,1,0,1,0,0|1,0,1]=4 116 B6R1.5 CN1CC(N)C1 SPC-a122 [0,1,0,1,0,0|1,0,1]=4 117 B6R1.5 CN1CC(N)C1 SPC-a122 [0,1,0,1,0,0|1,0,1]=4 118 B6R1.5 CN1CC(O)C1 SPC-h814 [0,1,0,1,0,0|0,0,2]=4 119 B6R1.5 C[C@H]1C[C@@H](N)C1 SPC-t414 [0,1,0,1,0,0|1,0,1]=4 120 B6R1.5 NC1CC(=O)C1 SPC-g768 [0,1,0,1,0,0|0,0,0]=2 121 B6R1.5 NC1CC(F)C1 SPC-a126 [0,1,0,1,0,0|1,0,1]=4 122 B6R1.5 NC1CC(N)C1 SPC-k955 [0,1,0,1,0,0|1,0,1]=4 123 B6R1.5 NC1CC(O)C1 SPC-h237 [0,1,0,1,0,0|0,0,2]=4 124 B6R1.5 NC1CC(O)C1 SPC-h906 [0,1,0,1,0,0|0,0,2]=4 125 B6R1.5 NN1CC(O)C1 SPC-n969 [0,1,0,1,0,0|2,0,0]=4 126 B6R1.5 N[C@H]1C[C@@H](F)C1 SPC-i447 [0,1,0,1,0,0|1,0,1]=4 127 B6R1.5 N[C@H]1C[C@@H](N)C1 SPC-i052 [0,1,0,1,0,0|1,0,1]=4 128 B6R1.5 N[C@H]1C[C@@H](O)C1 SPC-h453 [0,1,0,1,0,0|0,0,2]=4 129 B6R1.5 N[C@H]1C[C@H](F)C1 SPC-i830 [0,1,0,1,0,0|1,0,1]=4 130 B6R1.5 N[C@H]1C[C@H](N)C1 SPC-i730 [0,1,0,1,0,0|1,0,1]=4 131 B6R1.5 N[C@H]1C[C@H](N)C1 SPC-i825 [0,1,0,1,0,0|1,0,1]=4 132 B6R1.5 N[C@H]1C[C@H](O)C1 SPC-h454 [0,1,0,1,0,0|0,0,2]=4 133 B6R1.5 N[C@H]1C[C@H](O)C1 SPC-i099 [0,1,0,1,0,0|0,0,2]=4 134 B6R1.5 O=C1CC(Br)C1 SPC-i596 [0,1,0,1,0,0|0,0,0]=2 135 B6R1.5 OC1CC(F)C1 SPC-i817 [0,1,0,1,0,0|0,0,2]=4 136 B6R1.5 OC1CC(O)C1 SPC-v254 [0,1,0,1,0,0|0,0,2]=4 137 B6R1.5 O[C@H]1C[C@@H](F)C1 SPC-p948 [0,1,0,1,0,0|0,0,2]=4 138 B6R1.5 O[C@H]1C[C@H](F)C1 SPC-q477 [0,1,0,1,0,0|0,0,2]=4 139 B6R1.10 CC1(C)CNC1 SPC-h500 [0,1,0,1,0,0|1,0,1]=4 140 B6R1.10 CC1(F)CNC1 SPC-i733 [0,1,0,1,0,0|1,0,1]=4 141 B6R1.10 CC1(N)CCC1 SPC-h418 [0,1,0,1,0,0|1,0,1]=4 142 B6R1.10 CC1(N)CNC1 SPC-i010 [0,1,0,1,0,0|1,0,1]=4 143 B6R1.10 CC1(N)COC1 SPC-a024 [0,1,0,1,0,0|1,0,1]=4 144 B6R1.10 CC1(N)COC1 SPC-h792 [0,1,0,1,0,0|1,0,1]=4 145 B6R1.10 CC1(N)CSC1 SPC-i986 [0,1,0,1,0,0|1,0,1]=4 146 B6R1.10 CC1(O)CNC1 SPC-g917 [0,1,0,1,0,0|0,0,2]=4 147 B6R1.10 CC1(O)COC1 SPC-a027 [0,1,0,1,0,0|0,0,2]=4 148 B6R1.10 CC1(O)CSC1 SPC-n024 [0,1,0,1,0,0|0,0,2]=4 149 B6R1.10 N=S1(=O)CCC1 SPC-w058 [0,1,0,1,0,0|1,0,0]=3 150 B6R1.11 C[C@@H](N)C1CC1 SPC-v104 [0,1,0,1,0,0|1,0,1]=4 151 B6R1.11 C[C@H](N)C1CC1 SPC-n670 [0,1,0,1,0,0|1,0,1]=4 152 B6R1.11 NC(=O)C1CC1 SPC-t155 [0,1,0,1,0,0|1,0,0]=3 153 B6R1.4 CC1OCC1O SPC-r006 [0,1,0,1,0,0|0,0,2]=4 154 B6R1.4 C[C@@H]1NC[C@@H]1O SPC-u139 [0,1,0,1,0,0|0,0,2]=4 155 B6R1.4 C[C@@H]1NC[C@@H]1O SPC-u948 [0,1,0,1,0,0|0,0,2]=4 156 B6R1.4 C[C@@H]1NC[C@H]1O SPC-u025 [0,1,0,1,0,0|0,0,2]=4 157 B6R1.4 C[C@@H]1OCC1=O SPC-p252 [0,1,0,1,0,0|0,0,0]=2 158 B6R1.4 C[C@H]1NC[C@H]1O SPC-v658 [0,1,0,1,0,0|0,0,2]=4 159 B6R1.4 NC1CCC1O SPC-u019 [0,1,0,1,0,0|0,0,2]=4 160 B6R1.4 N[C@@H]1CC[C@@H]1O SPC-u564 [0,1,0,1,0,0|0,0,2]=4 161 B6R1.4 N[C@@H]1CC[C@H]1N SPC-a439 [0,1,0,1,0,0|1,0,1]=4 162 B6R1.4 N[C@@H]1CNC1=O SPC-u597 [0,1,0,1,0,0|1,0,0]=3 163 B6R1.4 N[C@H]1CC[C@H]1N SPC-a438 [0,1,0,1,0,0|1,0,1]=4 164 B6R1.4 N[C@H]1CNC1=O SPC-s686 [0,1,0,1,0,0|1,0,0]=3 165 B6R1.4 O=C1CC[C@@H]1Br SPC-u765 [0,1,0,1,0,0|0,0,0]=2 166 B6R1.6 BrC[C@H]1CCO1 SPC-i209 [0,1,0,1,0,0|0,0,2]=4 167 B6R1.6 ICC1CCC1 SPC-m826 [0,1,0,1,0,0|1,0,1]=4 168 B6R1.6 IC[C@H]1CCO1 SPC-i189 [0,1,0,1,0,0|0,0,2]=4 169 B6R1.6 NCC1CCC1 SPC-a097 [0,1,0,1,0,0|1,0,1]=4 170 B6R1.6 NCC1CCC1 SPC-g882 [0,1,0,1,0,0|1,0,1]=4 171 B6R1.6 NC[C@H]1CCN1 SPC-i204 [0,1,0,1,0,0|1,0,1]=4 172 B6R1.6 NC[C@H]1CCO1 SPC-a305 [0,1,0,1,0,0|0,0,2]=4 173 B6R1.6 O=CC1COC1 SPC-r007 [0,1,0,1,0,0|1,0,1]=4 174 B6R1.6 OC[C@@H]1CCN1 SPC-i144 [0,1,0,1,0,0|1,0,1]=4 175 B6R1.6 OC[C@H]1CCN1 SPC-i191 [0,1,0,1,0,0|1,0,1]=4 176 B6R1.6 OC[C@H]1CCN1 SPC-k756 [0,1,0,1,0,0|1,0,1]=4 177 B6R1.6 OC[C@H]1CCO1 SPC-a306 [0,1,0,1,0,0|0,0,2]=4 178 B6R1.7 CC1(CO)CC1 SPC-s643 [0,1,0,1,0,0|0,0,2]=4 179 B6R1.7 CCC1(N)CC1 SPC-m910 [0,1,0,1,0,0|1,0,1]=4 180 B6R1.7 NC1(CO)CC1 SPC-m032 [0,1,0,1,0,0|1,0,1]=4 181 B6R1.7 NC1(CO)CC1 SPC-n639 [0,1,0,1,0,0|1,0,1]=4 182 B6R1.7 NCC1(F)CC1 SPC-u921 [0,1,0,1,0,0|1,0,1]=4 183 B6R1.7 NCC1(N)CC1 SPC-w107 [0,1,0,1,0,0|1,0,1]=4 184 B6R1.7 NCC1(O)CC1 SPC-t963 [0,1,0,1,0,0|0,0,2]=4