0 B4R0.2 C=CCCO SPC-t137 [0,0,0,0,0,0|0,0,2]=2 1 B3R0.1 N#CCF SPC-v280 [1,0,0,0,0,0|2,0,1]=4 2 B5R0.1 CCC[C@H](C)N SPC-k309 [0,1,0,0,0,0|1,0,0]=2 3 B5R0.1 C[C@@H](N)CCO SPC-g658 [0,1,0,0,0,0|0,0,0]=1 4 B5R0.1 C[C@H](N)CCO SPC-n760 [0,1,0,0,0,0|0,0,0]=1 5 B5R0.1 NCCC(F)F SPC-w135 [0,1,0,0,0,0|2,0,0]=3 6 B5R0.1 OCCC(F)F SPC-u602 [0,1,0,0,0,0|1,0,0]=2 7 B5R0.3 C=C(CCl)CCl SPC-g310 [0,1,0,0,0,0|2,0,1]=4 8 B5R0.3 C=C(CO)CO SPC-g493 [0,1,0,0,0,0|1,0,1]=3 9 B5R0.3 NC[C@@H](F)CO SPC-s654 [0,1,0,0,0,0|1,0,0]=2 10 B5R0.3 NC[C@H](F)CF SPC-w136 [0,1,0,0,0,0|2,0,0]=3 11 B5R0.3 NC[C@H](F)CO SPC-s667 [0,1,0,0,0,0|1,0,0]=2 12 B5R1.2 BrC1CCC1 SPC-p925 [0,0,0,1,0,0|1,0,0]=2 13 B5R1.2 BrC1CNC1 SPC-h907 [0,0,0,1,0,0|2,0,0]=3 14 B5R1.2 BrC1CNC1 SPC-h907 [0,0,0,1,0,0|2,0,0]=3 15 B5R1.2 BrC1COC1 SPC-g331 [0,0,0,1,0,0|2,0,0]=3 16 B5R1.2 CC1CNC1 SPC-h149 [0,0,0,1,0,0|2,0,0]=3 17 B5R1.2 C[C@H]1CCN1 SPC-i601 [0,0,0,1,0,0|1,0,0]=2 18 B5R1.2 ClC1CNC1 SPC-h126 [0,0,0,1,0,0|2,0,0]=3 19 B5R1.2 ClC1COC1 SPC-s928 [0,0,0,1,0,0|2,0,0]=3 20 B5R1.2 FC1CNC1 SPC-g878 [0,0,0,1,0,0|2,0,0]=3 21 B5R1.2 IC1CCC1 SPC-t191 [0,0,0,1,0,0|1,0,0]=2 22 B5R1.2 IC1COC1 SPC-a300 [0,0,0,1,0,0|2,0,0]=3 23 B5R1.2 NC1CCC1 SPC-a094 [0,0,0,1,0,0|1,0,0]=2 24 B5R1.2 NC1CNC1 SPC-h131 [0,0,0,1,0,0|2,0,0]=3 25 B5R1.2 NC1COC1 SPC-a019 [0,0,0,1,0,0|2,0,0]=3 26 B5R1.2 NC1CSC1 SPC-i072 [0,0,0,1,0,0|2,0,0]=3 27 B5R1.2 O=C1CCN1 SPC-t120 [0,0,0,1,0,0|1,0,2]=4 28 B5R1.2 O=C1CNC1 SPC-h722 [0,0,0,1,0,0|1,0,2]=4 29 B5R1.2 O=C1CSC1 SPC-a100 [0,0,0,1,0,0|1,0,2]=4 30 B5R1.2 OC1CNC1 SPC-a234 [0,0,0,1,0,0|1,0,0]=2 31 B5R1.2 OC1COC1 SPC-a002 [0,0,0,1,0,0|1,0,0]=2 32 B5R1.2 OC1CSC1 SPC-t361 [0,0,0,1,0,0|1,0,0]=2 33 B5R1.2 SC1CNC1 SPC-i180 [0,0,0,1,0,0|1,1,0]=3 34 B5R1.2 SC1COC1 SPC-h701 [0,0,0,1,0,0|1,1,0]=3 35 B5R1.3 CNC1CC1 SPC-g900 [0,0,0,1,0,0|2,0,0]=3 36 B5R1.3 OC[C@H]1CO1 SPC-t630 [0,0,0,1,0,0|1,0,0]=2 37 B5R1.4 N[C@H]1C[C@@H]1N SPC-w109 [0,0,0,1,0,0|2,0,0]=3 38 B5R1.4 N[C@H]1C[C@H]1F SPC-v508 [0,0,0,1,0,0|2,0,0]=3 39 B5R1.4 N[C@H]1C[C@H]1N SPC-w110 [0,0,0,1,0,0|2,0,0]=3 40 B4R0.1 C#C[C@H](C)O SPC-s670 [1,1,0,0,0,0|0,0,2]=4 41 B4R0.1 C#C[C@H](C)O SPC-t138 [1,1,0,0,0,0|0,0,2]=4 42 B4R0.1 CC(=O)CN SPC-t886 [1,1,0,0,0,0|1,0,1]=4 43 B4R0.1 FC(F)CBr SPC-p180 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.2 CC(C)CB(O)O SPC-r379 [0,2,0,0,0,0|1,0,0]=3 45 B6R0.3 CC[C@@H](Br)C(=O)O SPC-t752 [0,2,0,0,0,0|0,0,1]=3 46 B6R0.3 CC[C@H](Br)C(=O)O SPC-t846 [0,2,0,0,0,0|0,0,1]=3 47 B6R0.3 CN[C@@H](C)C(=O)O SPC-s663 [0,2,0,0,0,0|1,0,1]=4 48 B6R0.3 CO[C@@H](C)C(=O)O SPC-h233 [0,2,0,0,0,0|1,0,1]=4 49 B6R0.3 CO[C@@H](C)C(=O)O SPC-t778 [0,2,0,0,0,0|1,0,1]=4 50 B6R0.3 C[C@@H](F)[C@@H](F)CN SPC-w140 [0,2,0,0,0,0|1,0,0]=3 51 B6R0.3 C[C@@H](F)[C@H](F)CN SPC-w143 [0,2,0,0,0,0|1,0,0]=3 52 B6R0.4 CC\C=C\C(=O)O SPC-t510 [0,2,0,0,0,0|0,0,2]=4 53 B6R0.5 CC(C)(C)CC=O SPC-v719 [0,2,0,0,0,0|0,0,2]=4 54 B6R0.5 CC(F)(F)CCN SPC-w139 [0,2,0,0,0,0|1,0,0]=3 55 B6R0.5 C[Si](C)(C)CCO SPC-k286 [0,2,0,0,0,0|0,1,0]=3 56 B6R0.5 NCCC(F)(F)F SPC-k209 [0,2,0,0,0,0|2,0,0]=4 57 B6R0.6 ICCCCCI SPC-m904 [0,2,0,0,0,0|1,0,0]=3 58 B6R0.8 CCC(F)(F)CN SPC-w138 [0,2,0,0,0,0|1,0,0]=3 59 B4R1.1 C1CNC1 SPC-g160 [1,0,0,1,0,0|1,0,0]=3 60 B4R1.1 C1CNC1 SPC-p889 [1,0,0,1,0,0|1,0,0]=3 61 B4R1.1 C1CNC1 SPC-p889 [1,0,0,1,0,0|1,0,0]=3 62 B4R1.2 OC1CC1 SPC-h306 [1,0,0,1,0,0|0,0,0]=2 63 B6R1.2 Br[C@H]1CCOC1 SPC-h137 [0,1,0,1,0,0|0,0,0]=2 64 B6R1.2 C[C@@H]1CCCN1 SPC-n701 [0,1,0,1,0,0|1,0,0]=3 65 B6R1.2 C[C@H]1CCCN1 SPC-r295 [0,1,0,1,0,0|1,0,0]=3 66 B6R1.2 F[C@@H]1CCNC1 SPC-g912 [0,1,0,1,0,0|1,0,0]=3 67 B6R1.2 F[C@@H]1CCNC1 SPC-s680 [0,1,0,1,0,0|1,0,0]=3 68 B6R1.2 F[C@H]1CCNC1 SPC-h119 [0,1,0,1,0,0|1,0,0]=3 69 B6R1.2 F[C@H]1CCNC1 SPC-j083 [0,1,0,1,0,0|1,0,0]=3 70 B6R1.2 IC1=COCC1 SPC-t718 [0,1,0,1,0,0|0,0,2]=4 71 B6R1.2 IC1CCCC1 SPC-n407 [0,1,0,1,0,0|1,0,0]=3 72 B6R1.2 I[C@H]1CCOC1 SPC-h290 [0,1,0,1,0,0|0,0,0]=2 73 B6R1.2 I[C@H]1CCOC1 SPC-j336 [0,1,0,1,0,0|0,0,0]=2 74 B6R1.2 N[C@@H]1CCOC1 SPC-g913 [0,1,0,1,0,0|0,0,0]=2 75 B6R1.2 N[C@H]1CCOC1 SPC-g942 [0,1,0,1,0,0|0,0,0]=2 76 B6R1.2 N[C@H]1CCOC1 SPC-g966 [0,1,0,1,0,0|0,0,0]=2 77 B6R1.2 O=C1CCNC1 SPC-g182 [0,1,0,1,0,0|0,0,2]=4 78 B6R1.2 O=C1CCOC1 SPC-g234 [0,1,0,1,0,0|0,0,1]=3 79 B6R1.2 OC1CC=CC1 SPC-n355 [0,1,0,1,0,0|0,0,1]=3 80 B6R1.2 O[C@@H]1CCNC1 SPC-g149 [0,1,0,1,0,0|0,0,0]=2 81 B6R1.2 O[C@@H]1CCOC1 SPC-g564 [0,1,0,1,0,0|0,0,0]=2 82 B6R1.2 O[C@H]1CCNC1 SPC-g033 [0,1,0,1,0,0|0,0,0]=2 83 B6R1.2 O[C@H]1CCNC1 SPC-g282 [0,1,0,1,0,0|0,0,0]=2 84 B6R1.2 O[C@H]1CCNC1 SPC-g363 [0,1,0,1,0,0|0,0,0]=2 85 B6R1.2 O[C@H]1CCOC1 SPC-g096 [0,1,0,1,0,0|0,0,0]=2 86 B6R1.2 O[C@H]1CCOC1 SPC-g256 [0,1,0,1,0,0|0,0,0]=2 87 B6R1.3 CNCC1CC1 SPC-h311 [0,1,0,1,0,0|1,0,0]=3 88 B6R1.3 ICCC1CC1 SPC-k255 [0,1,0,1,0,0|1,0,0]=3 89 B6R1.3 N#CCC1CC1 SPC-t648 [0,1,0,1,0,0|1,0,0]=3 90 B6R1.3 NCCC1CC1 SPC-t690 [0,1,0,1,0,0|1,0,0]=3 91 B6R1.3 NNCC1CC1 SPC-k402 [0,1,0,1,0,0|1,0,0]=3 92 B6R1.3 OCCC1CC1 SPC-h056 [0,1,0,1,0,0|0,0,0]=2 93 B6R1.5 CC1CC(=O)C1 SPC-n075 [0,1,0,1,0,0|0,0,2]=4 94 B6R1.5 CN1CC(Cl)C1 SPC-u755 [0,1,0,1,0,0|2,0,0]=4 95 B6R1.5 CN1CC(N)C1 SPC-a122 [0,1,0,1,0,0|2,0,0]=4 96 B6R1.5 CN1CC(N)C1 SPC-a122 [0,1,0,1,0,0|2,0,0]=4 97 B6R1.5 CN1CC(O)C1 SPC-h814 [0,1,0,1,0,0|1,0,0]=3 98 B6R1.5 C[C@H]1C[C@@H](N)C1 SPC-t414 [0,1,0,1,0,0|1,0,0]=3 99 B6R1.5 NC1CC(=O)C1 SPC-g768 [0,1,0,1,0,0|0,0,2]=4 100 B6R1.5 NC1CC(F)C1 SPC-a126 [0,1,0,1,0,0|1,0,0]=3 101 B6R1.5 NC1CC(N)C1 SPC-k955 [0,1,0,1,0,0|1,0,0]=3 102 B6R1.5 NC1CC(O)C1 SPC-h237 [0,1,0,1,0,0|0,0,0]=2 103 B6R1.5 NC1CC(O)C1 SPC-h906 [0,1,0,1,0,0|0,0,0]=2 104 B6R1.5 NN1CC(O)C1 SPC-n969 [0,1,0,1,0,0|1,0,0]=3 105 B6R1.5 N[C@H]1C[C@@H](F)C1 SPC-i447 [0,1,0,1,0,0|1,0,0]=3 106 B6R1.5 N[C@H]1C[C@@H](N)C1 SPC-i052 [0,1,0,1,0,0|1,0,0]=3 107 B6R1.5 N[C@H]1C[C@@H](O)C1 SPC-h453 [0,1,0,1,0,0|0,0,0]=2 108 B6R1.5 N[C@H]1C[C@H](F)C1 SPC-i830 [0,1,0,1,0,0|1,0,0]=3 109 B6R1.5 N[C@H]1C[C@H](N)C1 SPC-i730 [0,1,0,1,0,0|1,0,0]=3 110 B6R1.5 N[C@H]1C[C@H](N)C1 SPC-i825 [0,1,0,1,0,0|1,0,0]=3 111 B6R1.5 N[C@H]1C[C@H](O)C1 SPC-h454 [0,1,0,1,0,0|0,0,0]=2 112 B6R1.5 N[C@H]1C[C@H](O)C1 SPC-i099 [0,1,0,1,0,0|0,0,0]=2 113 B6R1.5 O=C1CC(Br)C1 SPC-i596 [0,1,0,1,0,0|0,0,2]=4 114 B6R1.5 OC1CC(F)C1 SPC-i817 [0,1,0,1,0,0|0,0,0]=2 115 B6R1.5 OC1CC(O)C1 SPC-v254 [0,1,0,1,0,0|0,0,0]=2 116 B6R1.5 O[C@H]1C[C@@H](F)C1 SPC-p948 [0,1,0,1,0,0|0,0,0]=2 117 B6R1.5 O[C@H]1C[C@H](F)C1 SPC-q477 [0,1,0,1,0,0|0,0,0]=2 118 B6R1.9 FC1(F)C[C@@H]1Br SPC-p140 [0,1,0,1,0,0|2,0,0]=4 119 B6R1.9 N[C@H]1CC1(F)F SPC-p105 [0,1,0,1,0,0|2,0,0]=4 120 B6R1.10 CC1(C)CNC1 SPC-h500 [0,1,0,1,0,0|2,0,0]=4 121 B6R1.10 CC1(F)CNC1 SPC-i733 [0,1,0,1,0,0|2,0,0]=4 122 B6R1.10 CC1(N)CCC1 SPC-h418 [0,1,0,1,0,0|1,0,0]=3 123 B6R1.10 CC1(N)CNC1 SPC-i010 [0,1,0,1,0,0|2,0,0]=4 124 B6R1.10 CC1(N)COC1 SPC-a024 [0,1,0,1,0,0|2,0,0]=4 125 B6R1.10 CC1(N)COC1 SPC-h792 [0,1,0,1,0,0|2,0,0]=4 126 B6R1.10 CC1(N)CSC1 SPC-i986 [0,1,0,1,0,0|2,0,0]=4 127 B6R1.10 CC1(O)CNC1 SPC-g917 [0,1,0,1,0,0|1,0,0]=3 128 B6R1.10 CC1(O)COC1 SPC-a027 [0,1,0,1,0,0|1,0,0]=3 129 B6R1.10 CC1(O)CSC1 SPC-n024 [0,1,0,1,0,0|1,0,0]=3 130 B6R1.10 FC1(F)CNC1 SPC-g847 [0,1,0,1,0,0|2,0,0]=4 131 B6R1.10 N=S1(=O)CCC1 SPC-w058 [0,1,0,1,0,0|1,0,1]=4 132 B6R1.11 C[C@@H](N)C1CC1 SPC-v104 [0,1,0,1,0,0|1,0,0]=3 133 B6R1.11 C[C@H](N)C1CC1 SPC-n670 [0,1,0,1,0,0|1,0,0]=3 134 B6R1.11 NC(=O)C1CC1 SPC-t155 [0,1,0,1,0,0|0,0,2]=4 135 B6R1.11 OB(O)C1CC1 SPC-g438 [0,1,0,1,0,0|1,0,0]=3 136 B6R1.1 C1=CCNCC1 SPC-g659 [0,1,0,1,0,0|1,0,1]=4 137 B6R1.1 C1=CCOCC1 SPC-h047 [0,1,0,1,0,0|0,0,1]=3 138 B6R1.1 C1CSCCN1 SPC-g309 [0,1,0,1,0,0|0,1,0]=3 139 B6R1.1 C1CSCSC1 SPC-s111 [0,1,0,1,0,0|0,1,0]=3 140 B6R1.4 CC1OCC1O SPC-r006 [0,1,0,1,0,0|0,0,0]=2 141 B6R1.4 C[C@@H]1NC[C@@H]1O SPC-u139 [0,1,0,1,0,0|0,0,0]=2 142 B6R1.4 C[C@@H]1NC[C@@H]1O SPC-u948 [0,1,0,1,0,0|0,0,0]=2 143 B6R1.4 C[C@@H]1NC[C@H]1O SPC-u025 [0,1,0,1,0,0|0,0,0]=2 144 B6R1.4 C[C@@H]1OCC1=O SPC-p252 [0,1,0,1,0,0|0,0,1]=3 145 B6R1.4 C[C@H]1NC[C@H]1O SPC-v658 [0,1,0,1,0,0|0,0,0]=2 146 B6R1.4 NC1CCC1O SPC-u019 [0,1,0,1,0,0|0,0,0]=2 147 B6R1.4 N[C@@H]1CC[C@@H]1O SPC-u564 [0,1,0,1,0,0|0,0,0]=2 148 B6R1.4 N[C@@H]1CC[C@H]1N SPC-a439 [0,1,0,1,0,0|1,0,0]=3 149 B6R1.4 N[C@H]1CC[C@H]1N SPC-a438 [0,1,0,1,0,0|1,0,0]=3 150 B6R1.4 O=C1CC[C@@H]1Br SPC-u765 [0,1,0,1,0,0|0,0,2]=4 151 B6R1.6 BrCC1COC1 SPC-i089 [0,1,0,1,0,0|1,0,0]=3 152 B6R1.6 BrC[C@H]1CCO1 SPC-i209 [0,1,0,1,0,0|0,0,0]=2 153 B6R1.6 C#CC1CNC1 SPC-u916 [0,1,0,1,0,0|1,0,1]=4 154 B6R1.6 C#CC1COC1 SPC-u963 [0,1,0,1,0,0|0,0,2]=4 155 B6R1.6 CNC1CNC1 SPC-i584 [0,1,0,1,0,0|2,0,0]=4 156 B6R1.6 CNC1COC1 SPC-a021 [0,1,0,1,0,0|1,0,0]=3 157 B6R1.6 COC1CNC1 SPC-g356 [0,1,0,1,0,0|1,0,0]=3 158 B6R1.6 CSC1CNC1 SPC-h865 [0,1,0,1,0,0|1,1,0]=4 159 B6R1.6 CSC1CNC1 SPC-u349 [0,1,0,1,0,0|1,1,0]=4 160 B6R1.6 ClCC1COC1 SPC-t682 [0,1,0,1,0,0|1,0,0]=3 161 B6R1.6 FCC1CNC1 SPC-v205 [0,1,0,1,0,0|1,0,0]=3 162 B6R1.6 ICC1CCC1 SPC-m826 [0,1,0,1,0,0|1,0,0]=3 163 B6R1.6 ICC1COC1 SPC-i045 [0,1,0,1,0,0|1,0,0]=3 164 B6R1.6 IC[C@H]1CCO1 SPC-i189 [0,1,0,1,0,0|0,0,0]=2 165 B6R1.6 N#CC1CNC1 SPC-g567 [0,1,0,1,0,0|1,0,1]=4 166 B6R1.6 N#C[C@@H]1CCN1 SPC-p919 [0,1,0,1,0,0|1,0,1]=4 167 B6R1.6 N#C[C@H]1CCN1 SPC-u912 [0,1,0,1,0,0|1,0,1]=4 168 B6R1.6 NCC1CCC1 SPC-a097 [0,1,0,1,0,0|1,0,0]=3 169 B6R1.6 NCC1CCC1 SPC-g882 [0,1,0,1,0,0|1,0,0]=3 170 B6R1.6 NCC1COC1 SPC-a020 [0,1,0,1,0,0|1,0,0]=3 171 B6R1.6 NCC1COC1 SPC-n824 [0,1,0,1,0,0|1,0,0]=3 172 B6R1.6 NCC1CSC1 SPC-a104 [0,1,0,1,0,0|1,0,0]=3 173 B6R1.6 NCC1CSC1 SPC-i360 [0,1,0,1,0,0|1,0,0]=3 174 B6R1.6 NC[C@H]1CCN1 SPC-i204 [0,1,0,1,0,0|1,0,0]=3 175 B6R1.6 NC[C@H]1CCO1 SPC-a305 [0,1,0,1,0,0|0,0,0]=2 176 B6R1.6 O=CC1COC1 SPC-r007 [0,1,0,1,0,0|0,0,2]=4 177 B6R1.6 OCC1CNC1 SPC-a250 [0,1,0,1,0,0|0,0,0]=2 178 B6R1.6 OCC1CNC1 SPC-j113 [0,1,0,1,0,0|0,0,0]=2 179 B6R1.6 OCC1COC1 SPC-a076 [0,1,0,1,0,0|0,0,0]=2 180 B6R1.6 OCC1CSC1 SPC-i307 [0,1,0,1,0,0|0,0,0]=2 181 B6R1.6 OC[C@@H]1CCN1 SPC-i144 [0,1,0,1,0,0|0,0,0]=2 182 B6R1.6 OC[C@H]1CCN1 SPC-i191 [0,1,0,1,0,0|0,0,0]=2 183 B6R1.6 OC[C@H]1CCN1 SPC-k756 [0,1,0,1,0,0|0,0,0]=2 184 B6R1.6 OC[C@H]1CCO1 SPC-a306 [0,1,0,1,0,0|0,0,0]=2 185 B6R1.7 C#CC1(N)CC1 SPC-n989 [0,1,0,1,0,0|1,0,1]=4 186 B6R1.7 CC1(CO)CC1 SPC-s643 [0,1,0,1,0,0|0,0,0]=2 187 B6R1.7 CCC1(N)CC1 SPC-m910 [0,1,0,1,0,0|1,0,0]=3 188 B6R1.7 C[C@@]1(CO)CO1 SPC-v389 [0,1,0,1,0,0|1,0,0]=3 189 B6R1.7 N#CC1(N)CC1 SPC-k335 [0,1,0,1,0,0|1,0,1]=4 190 B6R1.7 NC1(CO)CC1 SPC-m032 [0,1,0,1,0,0|0,0,0]=2 191 B6R1.7 NC1(CO)CC1 SPC-n639 [0,1,0,1,0,0|0,0,0]=2 192 B6R1.7 NCC1(F)CC1 SPC-u921 [0,1,0,1,0,0|1,0,0]=3 193 B6R1.7 NCC1(N)CC1 SPC-w107 [0,1,0,1,0,0|1,0,0]=3 194 B6R1.7 NCC1(O)CC1 SPC-t963 [0,1,0,1,0,0|1,0,0]=3