0 B5R0.2 BrCCCCBr AM20080049 [0,0,0,0,0,0|2,0,0]=2 1 B5R0.2 C#CCCCC AMY1242 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.2 C=CCCC=C AMY18716 [0,0,0,0,0,0|1,0,3]=4 3 B5R0.2 C=CCCC=C AMY19739 [0,0,0,0,0,0|1,0,3]=4 4 B5R0.2 C=CCCCBr AM20080066 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.2 C=CCCCO AMY41353 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.2 CCC#CCO AMY1239 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.2 CCCCCBr AMY9378 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.2 CCCCCC AMY22305 [0,0,0,0,0,0|1,0,0]=1 9 B5R0.2 CCCCCN AMY21878 [0,0,0,0,0,0|0,0,0]=0 10 B5R0.2 CCCCCS AMY19243 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.2 CCCCNN AMY202003284 [0,0,0,0,0,0|1,0,0]=1 12 B5R0.2 CCCNCC AMY13343 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.2 CCO\C=C/Br AM806384 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.2 CNCCCN AM20100546 [0,0,0,0,0,0|1,0,0]=1 15 B5R0.2 CNCCNC AM86300 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.2 COCCC#N AMY40960 [0,0,0,0,0,0|1,0,2]=3 17 B5R0.2 COCCCBr AM20090592 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.2 COCCCCl AMY25654 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.2 COCCCN AMY21871 [0,0,0,0,0,0|1,0,0]=1 20 B5R0.2 COCCCN AMY38449 [0,0,0,0,0,0|1,0,0]=1 21 B5R0.2 COCCCO AM20080231 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.2 COCCNN AM803665 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.2 COCCNN AMY202003278 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.2 COCCOC AMY25530 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.2 COCCON AMY27642 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.2 CSCCCCl AMY744 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.2 ClCCCCI AMY2538 [0,0,0,0,0,0|2,0,0]=2 28 B5R0.2 ClCCOCCl AMY38249 [0,0,0,0,0,0|3,0,0]=3 29 B5R0.2 ClC\C=C\CCl AMY2667 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.2 N#CCCC#N AMY25947 [0,0,0,0,0,0|1,0,3]=4 31 B5R0.2 N#CCCC=O AMY9205 [0,0,0,0,0,0|1,0,3]=4 32 B5R0.2 N#CCCCBr AMY10438 [0,0,0,0,0,0|1,0,2]=3 33 B5R0.2 N#CCCCCl AMY40893 [0,0,0,0,0,0|1,0,2]=3 34 B5R0.2 N#CCCNN AMY202100074 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.2 NCCCCCl AMY15236 [0,0,0,0,0,0|1,0,0]=1 36 B5R0.2 NCCCCN AM20090504 [0,0,0,0,0,0|1,0,0]=1 37 B5R0.2 NCCCCO AMY17788 [0,0,0,0,0,0|1,0,0]=1 38 B5R0.2 NOC\C=C\Cl AM90386 [0,0,0,0,0,0|2,0,2]=4 39 B5R0.2 O=C=NCCCl AMY23213 [0,0,0,0,0,0|3,0,1]=4 40 B5R0.2 O=CCCC=O AMY18777 [0,0,0,0,0,0|2,0,2]=4 41 B5R0.2 OC\C=C\CCl AMY768 [0,0,0,0,0,0|2,0,2]=4 42 B4R0.2 BrCCCBr AMY25527 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.2 C#CCCBr AMY1272 [1,0,0,0,0,0|1,0,2]=4 44 B4R0.2 C#CCOC AMY1246 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.2 C#COCC AMY33551 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.2 C=CCCCl AMY11185 [1,0,0,0,0,0|1,0,2]=4 47 B4R0.2 C=CCCO AMY14291 [1,0,0,0,0,0|1,0,2]=4 48 B4R0.2 C=CCNC AMY13350 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.2 C=CCNN AM806419 [1,0,0,0,0,0|1,0,2]=4 50 B4R0.2 C=CCOC AM20100534 [1,0,0,0,0,0|1,0,2]=4 51 B4R0.2 C=CCON AM90375 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.2 CC#CCBr AMY1227 [1,0,0,0,0,0|1,0,2]=4 53 B4R0.2 CC#CCO AMY19259 [1,0,0,0,0,0|1,0,2]=4 54 B4R0.2 CCCCN AMY21914 [1,0,0,0,0,0|0,0,0]=1 55 B4R0.2 CCCNN AM9771 [1,0,0,0,0,0|1,0,0]=2 56 B4R0.2 CCNCC AMY25752 [1,0,0,0,0,0|1,0,0]=2 57 B4R0.2 CCPCC AMY11725 [1,0,0,0,0,0|1,0,0]=2 58 B4R0.2 CC\C=C\Br AMY796 [1,0,0,0,0,0|1,0,2]=4 59 B4R0.2 CNCC#N AM20090317 [1,0,0,0,0,0|1,0,2]=4 60 B4R0.2 CNCCCl AM803928 [1,0,0,0,0,0|2,0,0]=3 61 B4R0.2 CNCCF AMY202003232 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.2 CNCCO AMY32697 [1,0,0,0,0,0|2,0,0]=3 63 B4R0.2 COCCCl AMY25739 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.2 COCCN AM808206 [1,0,0,0,0,0|1,0,0]=2 65 B4R0.2 CSCCCl AMY15533 [1,0,0,0,0,0|2,0,0]=3 66 B4R0.2 CSCCN AMY33509 [1,0,0,0,0,0|1,0,0]=2 67 B4R0.2 CSCCO AMY19250 [1,0,0,0,0,0|2,0,0]=3 68 B4R0.2 C\C=C\CCl AMY618 [1,0,0,0,0,0|1,0,2]=4 69 B4R0.2 C\C=C\CO AMY21936 [1,0,0,0,0,0|1,0,2]=4 70 B4R0.2 ClCCCBr AMY40180 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.2 ClCCCCl AMY22013 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.2 ClCCCI AMY25762 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.2 FCCCBr AMY28674 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.2 N#CCCCl AMY21819 [1,0,0,0,0,0|1,0,2]=4 75 B4R0.2 NCCCBr AM20100225 [1,0,0,0,0,0|1,0,0]=2 76 B4R0.2 NCCCN AMY21886 [1,0,0,0,0,0|1,0,0]=2 77 B4R0.2 NCCON AMY10143 [1,0,0,0,0,0|2,0,0]=3 78 B4R0.2 NNCCO AM20080045 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.2 OCCCBr AM20100533 [1,0,0,0,0,0|2,0,0]=3 80 B4R0.2 OCCCCl AMY9478 [1,0,0,0,0,0|2,0,0]=3 81 B4R0.2 OCCCF AM1014 [1,0,0,0,0,0|2,0,0]=3 82 B4R0.2 SCCCBr AM806637 [1,0,0,0,0,0|2,0,0]=3 83 B4R0.2 [Li]CCCC AMY14790 [1,0,0,0,0,0|1,0,0]=2 84 B6R0.1 BrCC[C@H](Br)CBr AMY18008 [0,1,0,0,0,0|2,0,0]=3 85 B6R0.1 CCC(=O)CC#N AMY10591 [0,1,0,0,0,0|0,0,3]=4 86 B6R0.1 CCNC(=O)CCl AM802871 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.1 CCOC(=N)CCl AMY15738 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.1 CCOC(=O)CBr AM20070701 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.1 CCOC(=O)CC AMY21941 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.1 CCOC(=O)CN AM81786 [0,1,0,0,0,0|1,0,1]=3 91 B6R0.1 CCOC(=O)NN AMY23328 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.1 COC(=O)CCBr AMY21872 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.1 COC(=O)CCN AM20090461 [0,1,0,0,0,0|1,0,1]=3 94 B6R0.1 COC(=O)CCO AM85845 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.1 COCC(=O)NN AMY3068 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.1 C[C@@H](CO)CCO AMY37668 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.1 C[C@H](CN)CCN AMY1782 [0,1,0,0,0,0|1,0,0]=2 98 B6R0.1 C[C@H](CO)CCO AMY37676 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.1 N#CC[C@H](O)CCl AM81472 [0,1,0,0,0,0|1,0,2]=4 100 B6R0.1 N#CC[C@H](O)CCl AM81473 [0,1,0,0,0,0|1,0,2]=4 101 B6R0.1 O=C(CCl)CCCl AM9592 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.1 OCC[C@H](O)CO AMY14876 [0,1,0,0,0,0|2,0,0]=3 103 B6R0.1 OCC[C@H](O)CO AMY6061 [0,1,0,0,0,0|2,0,0]=3 104 B6R0.4 C=CCCC(C)=O AM84335 [0,1,0,0,0,0|1,0,2]=4 105 B6R0.4 CC(=O)NCCN AMY40665 [0,1,0,0,0,0|1,0,1]=3 106 B6R0.4 CC(C)CCCO AMY39142 [0,1,0,0,0,0|1,0,0]=2 107 B6R0.4 CC(C)CON=O AMY4012 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.4 CC(C)NCCCl AMY31121 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.4 CC(C)OCCBr AM80879 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.4 CCCCC(=O)[O-] AMY026 [0,1,0,0,0,0|1,0,1]=3 111 B6R0.4 CCCCN(C)C AMY25818 [0,1,0,0,0,0|2,0,0]=3 112 B6R0.4 CCCOC(=O)Cl AMY3779 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.4 CCOCC(=O)O AMY4062 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.4 CCOCC(Br)Br AMY830 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.4 CCSCC(=O)O AM20100532 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.4 CN(C)CCCCl AM84336 [0,1,0,0,0,0|2,0,0]=3 117 B6R0.4 CN(C)CCCCl AM90218 [0,1,0,0,0,0|2,0,0]=3 118 B6R0.4 CN(C)CCON AMY27281 [0,1,0,0,0,0|2,0,0]=3 119 B6R0.4 CNCCC(=O)O AM84855 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.4 CNCCC(C)C AMY37348 [0,1,0,0,0,0|2,0,0]=3 121 B6R0.4 CNCCC(C)C AMY37370 [0,1,0,0,0,0|2,0,0]=3 122 B6R0.4 CNCCN(C)C AMY10373 [0,1,0,0,0,0|3,0,0]=4 123 B6R0.4 COCCC(=O)O AMY2689 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.4 C[C@H](Br)CCCBr AMY2526 [0,1,0,0,0,0|1,0,0]=2 125 B6R0.4 NC(=O)OCCCl AMY19018 [0,1,0,0,0,0|2,0,1]=4 126 B6R0.4 NCCCC(=O)O AM20100372 [0,1,0,0,0,0|1,0,1]=3 127 B6R0.4 NCCCC(N)=O AMY15220 [0,1,0,0,0,0|1,0,1]=3 128 B6R0.4 O=C(Cl)CCCCl AMY25684 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.4 O=C(O)CCCS AM20080221 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.6 BrCCCCCBr AMY11214 [0,1,0,0,0,0|1,0,0]=2 131 B6R0.6 C#CCOCCO AMY28705 [0,1,0,0,0,0|1,0,2]=4 132 B6R0.6 C=CCCCCBr AM84859 [0,1,0,0,0,0|1,0,1]=3 133 B6R0.6 C=CCCCCO AM20100796 [0,1,0,0,0,0|1,0,1]=3 134 B6R0.6 C=COCCCN AMY3063 [0,1,0,0,0,0|0,0,2]=3 135 B6R0.6 C=COCCON AMY3312 [0,1,0,0,0,0|1,0,2]=4 136 B6R0.6 CCCCCCC AMY22304 [0,1,0,0,0,0|1,0,0]=2 137 B6R0.6 CCCCCCN AMY21942 [0,1,0,0,0,0|0,0,0]=1 138 B6R0.6 CCCCNCC AMY3985 [0,1,0,0,0,0|1,0,0]=2 139 B6R0.6 CCCCON=O AMY4016 [0,1,0,0,0,0|1,0,1]=3 140 B6R0.6 CCOCCC#N AMY40959 [0,1,0,0,0,0|0,0,2]=3 141 B6R0.6 CCOCCCN AMY21920 [0,1,0,0,0,0|0,0,0]=1 142 B6R0.6 CCOCCCO AM20080058 [0,1,0,0,0,0|1,0,0]=2 143 B6R0.6 CCOCOCC AMY25683 [0,1,0,0,0,0|2,0,0]=3 144 B6R0.6 COCCCCBr AMY9376 [0,1,0,0,0,0|1,0,0]=2 145 B6R0.6 COCCCCO AM20080057 [0,1,0,0,0,0|1,0,0]=2 146 B6R0.6 C\C=C\CCCO AMY2616 [0,1,0,0,0,0|1,0,1]=3 147 B6R0.6 ClCCNCCCl AM20100797 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.6 ClCCOCCCl AMY9389 [0,1,0,0,0,0|2,0,0]=3 149 B6R0.6 FCCCCCBr AM20100088 [0,1,0,0,0,0|1,0,0]=2 150 B6R0.6 N#CCCCCCl AM20100537 [0,1,0,0,0,0|0,0,2]=3 151 B6R0.6 N#CCOCCCl AMY17914 [0,1,0,0,0,0|1,0,2]=4 152 B6R0.6 NCCCCCN AM61576 [0,1,0,0,0,0|0,0,0]=1 153 B6R0.6 NCCNCCCl AMY10888 [0,1,0,0,0,0|1,0,0]=2 154 B6R0.6 NCCOCCN AMY7556 [0,1,0,0,0,0|1,0,0]=2 155 B6R0.6 NCCOCCO AMY18064 [0,1,0,0,0,0|1,0,0]=2 156 B6R0.6 O=CCCCC=O AMY3308 [0,1,0,0,0,0|1,0,2]=4 157 B6R0.6 O=CCCCCCl AMY772 [0,1,0,0,0,0|1,0,1]=3 158 B6R0.6 OCCCCCBr AM20090543 [0,1,0,0,0,0|1,0,0]=2 159 B6R0.6 OCCOCCBr AMY4498 [0,1,0,0,0,0|2,0,0]=3 160 B6R0.6 OCCOCCCl AMY9387 [0,1,0,0,0,0|2,0,0]=3 161 B6R1.1 C1=CCCCC1 AMY17792 [0,0,0,1,0,0|1,0,1]=3 162 B6R1.1 C1=CCNCC1 AMY5955 [0,0,0,1,0,0|0,0,2]=3 163 B6R1.1 C1=CCOCC1 AM9907 [0,0,0,1,0,0|1,0,2]=4 164 B6R1.1 C1=CCSCC1 AMY37369 [0,0,0,1,0,0|1,0,2]=4 165 B6R1.1 C1=COCCC1 AMY39440 [0,0,0,1,0,0|1,0,2]=4 166 B6R1.1 C1=NCCCN1 AMY22014 [0,0,0,1,0,0|1,0,1]=3 167 B6R1.1 C1CCCCC1 AMY11047 [0,0,0,1,0,0|1,0,0]=2 168 B6R1.1 C1CCNCC1 AMY40816 [0,0,0,1,0,0|0,0,0]=1 169 B6R1.1 C1CCNNC1 AMY19957 [0,0,0,1,0,0|1,0,0]=2 170 B6R1.1 C1CCOCC1 AMY8873 [0,0,0,1,0,0|1,0,0]=2 171 B6R1.1 C1CCONC1 AM804032 [0,0,0,1,0,0|1,0,0]=2 172 B6R1.1 C1CCONC1 AMY42463 [0,0,0,1,0,0|1,0,0]=2 173 B6R1.1 C1CNCOC1 AMY28616 [0,0,0,1,0,0|1,0,0]=2 174 B6R1.1 C1COCCN1 AMY14878 [0,0,0,1,0,0|1,0,0]=2 175 B6R1.1 C1COCCN1 AMY22834 [0,0,0,1,0,0|1,0,0]=2 176 B6R1.1 C1COCCN1 AMY721 [0,0,0,1,0,0|1,0,0]=2 177 B6R1.1 C1COCCO1 AMY33329 [0,0,0,1,0,0|2,0,0]=3 178 B6R1.1 C1CSCCN1 AM807014 [0,0,0,1,0,0|1,0,0]=2 179 B6R1.1 C1CSCCO1 AMY25585 [0,0,0,1,0,0|2,0,0]=3 180 B6R1.2 BrC1=CCCC1 AMY38286 [0,0,0,1,0,0|1,0,2]=4 181 B6R1.2 BrC1CCCC1 AM20080273 [0,0,0,1,0,0|1,0,0]=2 182 B6R1.2 Br[C@H]1CCNC1 AM101739 [0,0,0,1,0,0|2,0,0]=3 183 B6R1.2 Br[C@H]1CCNC1 AM101740 [0,0,0,1,0,0|2,0,0]=3 184 B6R1.2 Br[C@H]1CCNC1 AM101781 [0,0,0,1,0,0|2,0,0]=3 185 B6R1.2 Br[C@H]1CCNC1 AM91615 [0,0,0,1,0,0|2,0,0]=3 186 B6R1.2 Br[C@H]1CCNC1 AM96305 [0,0,0,1,0,0|2,0,0]=3 187 B6R1.2 Br[C@H]1CCNC1 AM96372 [0,0,0,1,0,0|2,0,0]=3 188 B6R1.2 Br[C@H]1CCOC1 AM20090126 [0,0,0,1,0,0|2,0,0]=3 189 B6R1.2 C=C1CCOC1 AMY6014 [0,0,0,1,0,0|2,0,1]=4 190 B6R1.2 CC1=CCCC1 AMY6023 [0,0,0,1,0,0|1,0,1]=3 191 B6R1.2 CC1=NCCC1 AMY886 [0,0,0,1,0,0|0,0,2]=3 192 B6R1.2 CC1=NCCS1 AMY23228 [0,0,0,1,0,0|1,0,2]=4 193 B6R1.2 CC1CCCC1 AMY21930 [0,0,0,1,0,0|1,0,0]=2 194 B6R1.2 CN1CCCC1 AMY25542 [0,0,0,1,0,0|2,0,0]=3 195 B6R1.2 C[C@@H]1CCNC1 AMY37511 [0,0,0,1,0,0|2,0,0]=3 196 B6R1.2 C[C@H]1CCCN1 AM20080260 [0,0,0,1,0,0|0,0,0]=1 197 B6R1.2 C[C@H]1CCCN1 AM20090040 [0,0,0,1,0,0|0,0,0]=1 198 B6R1.2 C[C@H]1CCCN1 AM20100102 [0,0,0,1,0,0|0,0,0]=1 199 B6R1.2 C[C@H]1CCCN1 AM20100445 [0,0,0,1,0,0|0,0,0]=1 200 B6R1.2 C[C@H]1CCCN1 AM20100751 [0,0,0,1,0,0|0,0,0]=1 201 B6R1.2 C[C@H]1CCCO1 AM81816 [0,0,0,1,0,0|1,0,0]=2 202 B6R1.2 C[C@H]1CCNC1 AM803039 [0,0,0,1,0,0|2,0,0]=3 203 B6R1.2 C[C@H]1CCNC1 AM803735 [0,0,0,1,0,0|2,0,0]=3 204 B6R1.2 C[C@H]1CCNC1 AMY37562 [0,0,0,1,0,0|2,0,0]=3 205 B6R1.2 ClC1CCCC1 AMY22306 [0,0,0,1,0,0|1,0,0]=2 206 B6R1.2 Cl[C@H]1CCNC1 AM90551 [0,0,0,1,0,0|2,0,0]=3 207 B6R1.2 Cl[C@H]1CCNC1 AM90553 [0,0,0,1,0,0|2,0,0]=3 208 B6R1.2 Cl[C@H]1CCNC1 AM90576 [0,0,0,1,0,0|2,0,0]=3 209 B6R1.2 Cl[C@H]1CCNC1 AM90577 [0,0,0,1,0,0|2,0,0]=3 210 B6R1.2 Cl[C@H]1CCNC1 AM91617 [0,0,0,1,0,0|2,0,0]=3 211 B6R1.2 Cl[C@H]1CCNC1 AM96290 [0,0,0,1,0,0|2,0,0]=3 212 B6R1.2 Cl[C@H]1CCOC1 AM100455 [0,0,0,1,0,0|2,0,0]=3 213 B6R1.2 F[C@H]1CCNC1 AM20080115 [0,0,0,1,0,0|2,0,0]=3 214 B6R1.2 F[C@H]1CCNC1 AM20080270 [0,0,0,1,0,0|2,0,0]=3 215 B6R1.2 F[C@H]1CCNC1 AM20080271 [0,0,0,1,0,0|2,0,0]=3 216 B6R1.2 F[C@H]1CCNC1 AM20090020 [0,0,0,1,0,0|2,0,0]=3 217 B6R1.2 F[C@H]1CCNC1 AMY41754 [0,0,0,1,0,0|2,0,0]=3 218 B6R1.2 IC1CCCC1 AMY3844 [0,0,0,1,0,0|1,0,0]=2 219 B6R1.2 I[C@H]1CCNC1 AM91594 [0,0,0,1,0,0|2,0,0]=3 220 B6R1.2 I[C@H]1CCNC1 AM91619 [0,0,0,1,0,0|2,0,0]=3 221 B6R1.2 I[C@H]1CCNC1 AM91621 [0,0,0,1,0,0|2,0,0]=3 222 B6R1.2 I[C@H]1CCNC1 AM92136 [0,0,0,1,0,0|2,0,0]=3 223 B6R1.2 I[C@H]1CCNC1 AM95453 [0,0,0,1,0,0|2,0,0]=3 224 B6R1.2 I[C@H]1CCNC1 AM96429 [0,0,0,1,0,0|2,0,0]=3 225 B6R1.2 I[C@H]1CCOC1 AM20080159 [0,0,0,1,0,0|2,0,0]=3 226 B6R1.2 N=C1CCCC1 AMY39966 [0,0,0,1,0,0|0,0,2]=3 227 B6R1.2 NC1=NCCS1 AMY202003298 [0,0,0,1,0,0|2,0,1]=4 228 B6R1.2 NC1CC=CC1 AM20120323 [0,0,0,1,0,0|0,0,2]=3 229 B6R1.2 NC1CCCC1 AMY3757 [0,0,0,1,0,0|0,0,0]=1 230 B6R1.2 N[C@@H]1CCCN1 AMY9118 [0,0,0,1,0,0|1,0,0]=2 231 B6R1.2 N[C@H]1CCNC1 AM81992 [0,0,0,1,0,0|1,0,0]=2 232 B6R1.2 N[C@H]1CCNC1 AM81993 [0,0,0,1,0,0|1,0,0]=2 233 B6R1.2 N[C@H]1CCNC1 AM85320 [0,0,0,1,0,0|1,0,0]=2 234 B6R1.2 N[C@H]1CCOC1 AM20080063 [0,0,0,1,0,0|1,0,0]=2 235 B6R1.2 N[C@H]1CCOC1 AM20120276 [0,0,0,1,0,0|1,0,0]=2 236 B6R1.2 N[C@H]1CCOC1 AM62692 [0,0,0,1,0,0|1,0,0]=2 237 B6R1.2 N[C@H]1CCOC1 AMY4352 [0,0,0,1,0,0|1,0,0]=2 238 B6R1.2 N[C@H]1CCOC1 AMY5964 [0,0,0,1,0,0|1,0,0]=2 239 B6R1.2 O=C1CCCC1 AMY37126 [0,0,0,1,0,0|1,0,1]=3 240 B6R1.2 O=C1CCCN1 AMY25506 [0,0,0,1,0,0|1,0,1]=3 241 B6R1.2 O=C1CCNC1 AM20120384 [0,0,0,1,0,0|2,0,1]=4 242 B6R1.2 O=C1CCNC1 AMY6183 [0,0,0,1,0,0|2,0,1]=4 243 B6R1.2 O=C1CCNN1 AMY39277 [0,0,0,1,0,0|2,0,1]=4 244 B6R1.2 O=C1CCOC1 AM20090235 [0,0,0,1,0,0|2,0,1]=4 245 B6R1.2 O=C1CCSC1 AMY23378 [0,0,0,1,0,0|2,0,1]=4 246 B6R1.2 O=C1CNCN1 AM84594 [0,0,0,1,0,0|2,0,1]=4 247 B6R1.2 O=C1NCCN1 AM20080146 [0,0,0,1,0,0|2,0,1]=4 248 B6R1.2 O=C1NCCO1 AMY39498 [0,0,0,1,0,0|2,0,1]=4 249 B6R1.2 OC1CC=CC1 AMY9178 [0,0,0,1,0,0|1,0,2]=4 250 B6R1.2 OC1CCCC1 AMY3616 [0,0,0,1,0,0|1,0,0]=2 251 B6R1.2 O[C@@H]1CCCO1 AMY20193 [0,0,0,1,0,0|2,0,0]=3 252 B6R1.2 O[C@@H]1CCNO1 AMY37646 [0,0,0,1,0,0|3,0,0]=4 253 B6R1.2 O[C@H]1CCNC1 AM20070695 [0,0,0,1,0,0|2,0,0]=3 254 B6R1.2 O[C@H]1CCNC1 AM20080166 [0,0,0,1,0,0|2,0,0]=3 255 B6R1.2 O[C@H]1CCNC1 AM20090354 [0,0,0,1,0,0|2,0,0]=3 256 B6R1.2 O[C@H]1CCNC1 AM20100082 [0,0,0,1,0,0|2,0,0]=3 257 B6R1.2 O[C@H]1CCNC1 AM90404 [0,0,0,1,0,0|2,0,0]=3 258 B6R1.2 O[C@H]1CCNO1 AMY37647 [0,0,0,1,0,0|3,0,0]=4 259 B6R1.2 O[C@H]1CCOC1 AM20100156 [0,0,0,1,0,0|2,0,0]=3 260 B6R1.2 O[C@H]1CCOC1 AM20110236 [0,0,0,1,0,0|2,0,0]=3 261 B6R1.2 O[C@H]1CCOC1 AM20110237 [0,0,0,1,0,0|2,0,0]=3 262 B6R1.2 O[C@H]1CCSC1 AM20090505 [0,0,0,1,0,0|2,0,0]=3 263 B6R1.2 S[C@H]1CCOC1 AM101772 [0,0,0,1,0,0|2,0,0]=3 264 B6R1.3 BrCCC1CC1 AMY202003230 [0,0,0,1,0,0|1,0,0]=2 265 B6R1.3 BrCC[C@H]1CO1 AMY20094 [0,0,0,1,0,0|2,0,0]=3 266 B6R1.3 CNCC1CC1 AM803431 [0,0,0,1,0,0|2,0,0]=3 267 B6R1.3 CNCC1CC1 AMY34463 [0,0,0,1,0,0|2,0,0]=3 268 B6R1.3 COC[C@H]1CO1 AM20120337 [0,0,0,1,0,0|2,0,0]=3 269 B6R1.3 ICCC1CC1 AMY34362 [0,0,0,1,0,0|1,0,0]=2 270 B6R1.3 N#CCC1CC1 AM20100595 [0,0,0,1,0,0|0,0,2]=3 271 B6R1.3 NCCC1CC1 AMY39140 [0,0,0,1,0,0|0,0,0]=1 272 B6R1.3 NCCC1CC1 AMY4139 [0,0,0,1,0,0|0,0,0]=1 273 B6R1.3 NNCC1CC1 AM10018 [0,0,0,1,0,0|1,0,0]=2 274 B6R1.3 NNCC1CC1 AMY16104 [0,0,0,1,0,0|1,0,0]=2 275 B6R1.3 NOCC1CC1 AM90383 [0,0,0,1,0,0|1,0,0]=2 276 B6R1.3 O=CNC1CC1 AM804092 [0,0,0,1,0,0|2,0,1]=4 277 B6R1.3 OCCC1CC1 AMY3915 [0,0,0,1,0,0|1,0,0]=2 278 B6R1.3 S=C=NC1CC1 AM20080903 [0,0,0,1,0,0|2,0,1]=4 279 B6R1.6 BrCC1CCC1 AM20070598 [0,0,0,1,0,0|1,0,0]=2 280 B6R1.6 BrCC1COC1 AM807116 [0,0,0,1,0,0|2,0,0]=3 281 B6R1.6 BrC[C@H]1CCO1 AM20020056 [0,0,0,1,0,0|2,0,0]=3 282 B6R1.6 CNC1CNC1 AM20090279 [0,0,0,1,0,0|3,0,0]=4 283 B6R1.6 CNC1CNC1 AMY34231 [0,0,0,1,0,0|3,0,0]=4 284 B6R1.6 CNC1COC1 AM20020057 [0,0,0,1,0,0|3,0,0]=4 285 B6R1.6 CNC1COC1 AMY5742 [0,0,0,1,0,0|3,0,0]=4 286 B6R1.6 COC1CNC1 AM20080370 [0,0,0,1,0,0|3,0,0]=4 287 B6R1.6 COC1CNC1 AMY33741 [0,0,0,1,0,0|3,0,0]=4 288 B6R1.6 CSC1CNC1 AM20080315 [0,0,0,1,0,0|3,0,0]=4 289 B6R1.6 ClCC1CCC1 AMY31015 [0,0,0,1,0,0|1,0,0]=2 290 B6R1.6 ClCC1COC1 AM807016 [0,0,0,1,0,0|2,0,0]=3 291 B6R1.6 ClC[C@H]1CCO1 AM807017 [0,0,0,1,0,0|2,0,0]=3 292 B6R1.6 ICC1CCC1 AMY34464 [0,0,0,1,0,0|1,0,0]=2 293 B6R1.6 ICC1COC1 AM807382 [0,0,0,1,0,0|2,0,0]=3 294 B6R1.6 IC[C@H]1CCO1 AM20020012 [0,0,0,1,0,0|2,0,0]=3 295 B6R1.6 N#CC1CCC1 AM20070614 [0,0,0,1,0,0|0,0,2]=3 296 B6R1.6 N#CC1CNC1 AM20090541 [0,0,0,1,0,0|1,0,2]=4 297 B6R1.6 N#C[C@H]1CCN1 AMY35836 [0,0,0,1,0,0|1,0,1]=3 298 B6R1.6 NCC1CCC1 AM20070613 [0,0,0,1,0,0|0,0,0]=1 299 B6R1.6 NCC1COC1 AM20020041 [0,0,0,1,0,0|1,0,0]=2 300 B6R1.6 NC[C@H]1CCN1 AM20070687 [0,0,0,1,0,0|1,0,0]=2 301 B6R1.6 NC[C@H]1CCO1 AM20020052 [0,0,0,1,0,0|1,0,0]=2 302 B6R1.6 NNC1CCC1 AM9769 [0,0,0,1,0,0|1,0,0]=2 303 B6R1.6 NNC1CCC1 AM9783 [0,0,0,1,0,0|1,0,0]=2 304 B6R1.6 NNC1COC1 AM9958 [0,0,0,1,0,0|2,0,0]=3 305 B6R1.6 O=CC1CCC1 AM90197 [0,0,0,1,0,0|1,0,1]=3 306 B6R1.6 O=CC1COC1 AMY38489 [0,0,0,1,0,0|2,0,1]=4 307 B6R1.6 OCC1CCC1 AM90211 [0,0,0,1,0,0|1,0,0]=2 308 B6R1.6 OCC1CNC1 AM20120333 [0,0,0,1,0,0|2,0,0]=3 309 B6R1.6 OCC1CNC1 AMY6173 [0,0,0,1,0,0|2,0,0]=3 310 B6R1.6 OCC1COC1 AM806983 [0,0,0,1,0,0|2,0,0]=3 311 B6R1.6 OC[C@H]1CCO1 AM807004 [0,0,0,1,0,0|2,0,0]=3 312 B6R1.8 CC1CC1CN AM806562 [0,0,0,1,0,0|0,0,0]=1 313 B6R1.8 CC1CC1CO AM804126 [0,0,0,1,0,0|1,0,0]=2 314 B6R1.8 OC[C@@H]1C[C@@H]1F AMY5785 [0,0,0,1,0,0|2,0,0]=3 315 B3R0.1 BrCCBr AMY25519 [2,0,0,0,0,0|2,0,0]=4 316 B3R0.1 C#CCN AM86798 [2,0,0,0,0,0|0,0,2]=4 317 B3R0.1 C#CCN AMY22227 [2,0,0,0,0,0|0,0,2]=4 318 B3R0.1 C=CCN AMY22118 [2,0,0,0,0,0|0,0,2]=4 319 B3R0.1 CCCO AMY11110 [2,0,0,0,0,0|1,0,0]=3 320 B3R0.1 CCNN AM10026 [2,0,0,0,0,0|1,0,0]=3 321 B3R0.1 CCNN AMY202003286 [2,0,0,0,0,0|1,0,0]=3 322 B3R0.1 CCON AM90373 [2,0,0,0,0,0|1,0,0]=3 323 B3R0.1 CNOC AM20100609 [2,0,0,0,0,0|2,0,0]=4 324 B3R0.1 CSSC AMY39506 [2,0,0,0,0,0|2,0,0]=4 325 B3R0.1 C[Se][Se]C AMY31938 [2,0,0,0,0,0|2,0,0]=4 326 B3R0.1 ClCCBr AMY25520 [2,0,0,0,0,0|2,0,0]=4 327 B3R0.1 ClCCCl AMY33455 [2,0,0,0,0,0|2,0,0]=4 328 B3R0.1 FCCBr AMY39418 [2,0,0,0,0,0|2,0,0]=4 329 B3R0.1 FCCI AM20100746 [2,0,0,0,0,0|2,0,0]=4 330 B3R0.1 N#CCN AMY19488 [2,0,0,0,0,0|1,0,1]=4 331 B3R0.1 NCCBr AM20090316 [2,0,0,0,0,0|1,0,0]=3 332 B3R0.1 NCCCl AMY3602 [2,0,0,0,0,0|1,0,0]=3 333 B3R0.1 NCCF AM20100176 [2,0,0,0,0,0|1,0,0]=3 334 B3R0.1 NCCS AMY202100105 [2,0,0,0,0,0|1,0,0]=3 335 B3R0.1 OCCBr AMY39504 [2,0,0,0,0,0|2,0,0]=4 336 B3R0.1 OCCF AMY25659 [2,0,0,0,0,0|2,0,0]=4 337 B3R0.1 OCCO AMY22336 [2,0,0,0,0,0|2,0,0]=4 338 B5R0.1 C=C(C)CCBr AMY7022 [1,1,0,0,0,0|1,0,1]=4 339 B5R0.1 C=CC[C@H](C)N AM9152 [1,1,0,0,0,0|0,0,2]=4 340 B5R0.1 C=CC[C@H](C)O AM804193 [1,1,0,0,0,0|0,0,2]=4 341 B5R0.1 CC(=O)CCO AMY31061 [1,1,0,0,0,0|1,0,1]=4 342 B5R0.1 CC(C)CNN AM806328 [1,1,0,0,0,0|1,0,0]=3 343 B5R0.1 CC(C)CNN AM9787 [1,1,0,0,0,0|1,0,0]=3 344 B5R0.1 CC(C)CON AMY31434 [1,1,0,0,0,0|1,0,0]=3 345 B5R0.1 CC(C)OCCl AMY23885 [1,1,0,0,0,0|2,0,0]=4 346 B5R0.1 CCCB(O)O AMY987 [1,1,0,0,0,0|2,0,0]=4 347 B5R0.1 CCCC(=N)N AM802888 [1,1,0,0,0,0|0,0,1]=3 348 B5R0.1 CCCC(=N)N AMY2389 [1,1,0,0,0,0|0,0,1]=3 349 B5R0.1 CCCC(C)=O AMY25524 [1,1,0,0,0,0|0,0,1]=3 350 B5R0.1 CCC[C@H](C)N AMY12548 [1,1,0,0,0,0|0,0,0]=2 351 B5R0.1 CCNC(=N)N AMY1900 [1,1,0,0,0,0|1,0,1]=4 352 B5R0.1 CCNC(C)C AMY13342 [1,1,0,0,0,0|1,0,0]=3 353 B5R0.1 CCNC(N)=S AMY18739 [1,1,0,0,0,0|1,0,1]=4 354 B5R0.1 CCOC(C)=N AM90190 [1,1,0,0,0,0|1,0,1]=4 355 B5R0.1 CCOC(N)=O AM20100253 [1,1,0,0,0,0|1,0,1]=4 356 B5R0.1 CCSC(C)=S AM90236 [1,1,0,0,0,0|1,0,1]=4 357 B5R0.1 CN(C)CCBr AM84884 [1,1,0,0,0,0|2,0,0]=4 358 B5R0.1 CN(C)CCCl AM20080022 [1,1,0,0,0,0|2,0,0]=4 359 B5R0.1 CN(C)CCCl AM20100171 [1,1,0,0,0,0|2,0,0]=4 360 B5R0.1 CN(C)CCN AM20080032 [1,1,0,0,0,0|1,0,0]=3 361 B5R0.1 CNCC(C)=O AM806508 [1,1,0,0,0,0|1,0,1]=4 362 B5R0.1 CNCC(N)=O AM82642 [1,1,0,0,0,0|1,0,1]=4 363 B5R0.1 COCC(=N)N AM20120573 [1,1,0,0,0,0|1,0,1]=4 364 B5R0.1 COC[C@@H](C)N AMY19545 [1,1,0,0,0,0|1,0,0]=3 365 B5R0.1 COC[C@H](C)O AM20100219 [1,1,0,0,0,0|1,0,0]=3 366 B5R0.1 CSCC(N)=O AMY10906 [1,1,0,0,0,0|1,0,1]=4 367 B5R0.1 C[C@@H](O)CCO AMY25740 [1,1,0,0,0,0|1,0,0]=3 368 B5R0.1 C[C@H](N)CCO AM84886 [1,1,0,0,0,0|1,0,0]=3 369 B5R0.1 C[C@H](N)CCO AM9719 [1,1,0,0,0,0|1,0,0]=3 370 B5R0.1 C[C@H](N)CCO AMY409 [1,1,0,0,0,0|1,0,0]=3 371 B5R0.1 C[C@H](O)CNN AM803409 [1,1,0,0,0,0|1,0,0]=3 372 B5R0.1 NCCC(=O)O AM20080020 [1,1,0,0,0,0|1,0,1]=4 373 B5R0.1 NCCC(=O)O AMY22128 [1,1,0,0,0,0|1,0,1]=4 374 B5R0.1 NCCC(N)=O AM20100576 [1,1,0,0,0,0|1,0,1]=4 375 B5R0.1 NCCC(N)=O AMY6958 [1,1,0,0,0,0|1,0,1]=4 376 B5R0.3 C=C[C@@H](O)CC AMY851 [1,1,0,0,0,0|0,0,2]=4 377 B5R0.3 CC(CBr)CBr AMY21213 [1,1,0,0,0,0|2,0,0]=4 378 B5R0.3 CC(CI)CI AMY32062 [1,1,0,0,0,0|2,0,0]=4 379 B5R0.3 CCC(=O)CC AMY11060 [1,1,0,0,0,0|0,0,1]=3 380 B5R0.3 CCC(=O)OC AMY21940 [1,1,0,0,0,0|1,0,1]=4 381 B5R0.3 CCC(N)CC AMY4054 [1,1,0,0,0,0|0,0,0]=2 382 B5R0.3 CCN(C)CC AMY13336 [1,1,0,0,0,0|1,0,0]=3 383 B5R0.3 CCN(O)CC AMY25658 [1,1,0,0,0,0|1,0,0]=3 384 B5R0.3 CC[C@@H](N)CO AM85835 [1,1,0,0,0,0|1,0,0]=3 385 B5R0.3 CC[C@@H](O)CN AMY6653 [1,1,0,0,0,0|0,0,0]=2 386 B5R0.3 CC[C@@H](O)CO AMY40578 [1,1,0,0,0,0|1,0,0]=3 387 B5R0.3 CC[C@H](Br)CBr AMY31902 [1,1,0,0,0,0|1,0,0]=3 388 B5R0.3 CC[C@H](C)CBr AMY28688 [1,1,0,0,0,0|1,0,0]=3 389 B5R0.3 CC[C@H](C)NN AM803011 [1,1,0,0,0,0|1,0,0]=3 390 B5R0.3 CC[C@H](C)NN AM9772 [1,1,0,0,0,0|1,0,0]=3 391 B5R0.3 CC[C@H](N)CO AM85834 [1,1,0,0,0,0|1,0,0]=3 392 B5R0.3 CC[C@H](N)CO AM85988 [1,1,0,0,0,0|1,0,0]=3 393 B5R0.3 CC[C@H](O)CO AMY40584 [1,1,0,0,0,0|1,0,0]=3 394 B5R0.3 COC(=O)CN AM81785 [1,1,0,0,0,0|1,0,1]=4 395 B5R0.3 CO[C@@H](C)CN AMY21775 [1,1,0,0,0,0|1,0,0]=3 396 B5R0.3 C[C@@H](CO)CBr AMY14347 [1,1,0,0,0,0|2,0,0]=4 397 B5R0.3 ClCC(Cl)CCl AMY22833 [1,1,0,0,0,0|2,0,0]=4 398 B5R0.3 NC(CO)CO AM20100310 [1,1,0,0,0,0|2,0,0]=4 399 B5R0.3 NCC(O)CN AM20100500 [1,1,0,0,0,0|1,0,0]=3 400 B5R0.3 NC[C@H](F)CO AMY34391 [1,1,0,0,0,0|1,0,0]=3 401 B5R0.3 NC[C@H](O)CCl AMY31075 [1,1,0,0,0,0|1,0,0]=3 402 B5R0.3 NC[C@H](O)CO AM20100501 [1,1,0,0,0,0|1,0,0]=3 403 B5R0.3 NC[C@H](O)CO AM20100602 [1,1,0,0,0,0|1,0,0]=3 404 B5R0.3 NC[C@H](O)CO AMY18546 [1,1,0,0,0,0|1,0,0]=3 405 B5R0.3 OC[C@H](Br)CBr AMY25826 [1,1,0,0,0,0|2,0,0]=4 406 B5R0.3 OC[C@H](O)CCl AM81448 [1,1,0,0,0,0|2,0,0]=4 407 B5R0.3 OC[C@H](O)CCl AM81449 [1,1,0,0,0,0|2,0,0]=4 408 B5R0.3 OC[C@H](O)CCl AMY21866 [1,1,0,0,0,0|2,0,0]=4 409 B7R0.2 CC(C)C[C@H](N)C#N AMY32610 [0,2,0,0,0,0|0,0,2]=4 410 B7R0.2 CC(C)C[C@H](N)CO AM20100311 [0,2,0,0,0,0|1,0,0]=3 411 B7R0.2 CC(C)C[C@H](N)CO AM20100733 [0,2,0,0,0,0|1,0,0]=3 412 B7R0.2 CC(C)OC(=O)CN AM81795 [0,2,0,0,0,0|1,0,1]=4 413 B7R0.2 CCC(C)CC(C)N AMY12579 [0,2,0,0,0,0|0,0,0]=2 414 B7R0.2 CC[C@H](C)NC(N)=O AMY7838 [0,2,0,0,0,0|1,0,1]=4 415 B7R0.2 CC[C@H](O)CC(=O)O AM85451 [0,2,0,0,0,0|1,0,1]=4 416 B7R0.2 NC[C@@H](N)CC(=O)O AMY21992 [0,2,0,0,0,0|1,0,1]=4 417 B7R0.2 NC[C@H](N)CC(=O)O AMY21991 [0,2,0,0,0,0|1,0,1]=4 418 B7R0.3 CCCCC(=O)NN AMY3964 [0,2,0,0,0,0|0,0,1]=3 419 B7R0.3 CCCC[C@H](N)CO AMY7200 [0,2,0,0,0,0|0,0,0]=2 420 B7R0.3 CCCC[C@H](O)CO AMY11157 [0,2,0,0,0,0|1,0,0]=3 421 B7R0.3 CCCOC(=O)CC AMY21939 [0,2,0,0,0,0|1,0,1]=4 422 B7R0.3 CCOC[C@@H](O)CO AMY318 [0,2,0,0,0,0|1,0,0]=3 423 B7R0.3 CNCCC(=O)OC AMY4326 [0,2,0,0,0,0|1,0,1]=4 424 B7R0.3 COC(=O)CCCN AM803145 [0,2,0,0,0,0|0,0,1]=3 425 B7R0.3 COC(=O)CCCS AMY40461 [0,2,0,0,0,0|1,0,1]=4 426 B7R0.3 CSCC[C@H](N)C#N AMY32618 [0,2,0,0,0,0|1,0,0]=3 427 B7R0.3 C[C@H](C#N)CCC#N AMY40818 [0,2,0,0,0,0|0,0,2]=4 428 B7R0.3 C[C@H](CN)CCCN AMY37195 [0,2,0,0,0,0|0,0,0]=2 429 B7R0.3 OCCC[C@H](O)CO AMY202100026 [0,2,0,0,0,0|1,0,0]=3 430 B7R0.5 CC(C)N(C)CCO AMY9192 [0,2,0,0,0,0|2,0,0]=4 431 B7R0.5 CC(C)[C@@H](N)CCO AMY20244 [0,2,0,0,0,0|1,0,0]=3 432 B7R0.5 CCC[C@H](C)B(O)O AM80876 [0,2,0,0,0,0|2,0,0]=4 433 B7R0.5 CCC[C@H](N)C(=O)O AM20090147 [0,2,0,0,0,0|1,0,1]=4 434 B7R0.5 CCC[C@H](N)C(=O)O AM20100599 [0,2,0,0,0,0|1,0,1]=4 435 B7R0.5 CCC[C@H](N)C(=O)O AM20100742 [0,2,0,0,0,0|1,0,1]=4 436 B7R0.5 CCOC(=O)[C@H](C)N AM20100508 [0,2,0,0,0,0|1,0,1]=4 437 B7R0.5 CCOC(=O)[C@H](C)N AM81486 [0,2,0,0,0,0|1,0,1]=4 438 B7R0.5 CCOC(=O)[C@H](C)N AM81487 [0,2,0,0,0,0|1,0,1]=4 439 B7R0.5 CCO[C@H](O)C(F)F AM803241 [0,2,0,0,0,0|2,0,0]=4 440 B7R0.5 COC[C@H](N)C(C)C AM806372 [0,2,0,0,0,0|2,0,0]=4 441 B7R0.5 NCC[C@H](N)C(=O)O AM20090101 [0,2,0,0,0,0|1,0,1]=4 442 B7R0.5 NCC[C@H](N)C(=O)O AM20100596 [0,2,0,0,0,0|1,0,1]=4 443 B7R0.5 NCC[C@H](N)C(=O)O AM803354 [0,2,0,0,0,0|1,0,1]=4 444 B7R0.5 NCC[C@H](N)C(=O)O AM82466 [0,2,0,0,0,0|1,0,1]=4 445 B7R0.5 NCC[C@H](O)C(=O)O AM20100077 [0,2,0,0,0,0|1,0,1]=4 446 B7R0.7 CCCC(=O)CCC AMY3807 [0,2,0,0,0,0|1,0,0]=3 447 B7R0.7 CCCC(N)CCC AMY3864 [0,2,0,0,0,0|1,0,0]=3 448 B7R0.7 CCCC(O)CCC AMY23531 [0,2,0,0,0,0|1,0,0]=3 449 B7R0.7 CCC[C@H](N)CCO AM20100578 [0,2,0,0,0,0|1,0,0]=3 450 B7R0.7 CCOC(=O)CCN AM803889 [0,2,0,0,0,0|0,0,1]=3 451 B7R0.7 CCOC(=O)CCO AMY20483 [0,2,0,0,0,0|1,0,1]=4 452 B7R0.7 CCOC(=O)CNC AM82644 [0,2,0,0,0,0|1,0,1]=4 453 B7R0.7 CCOC(=O)CNC AMY3815 [0,2,0,0,0,0|1,0,1]=4 454 B7R0.7 CCOC(=O)CNN AM20100649 [0,2,0,0,0,0|1,0,1]=4 455 B7R0.7 COCC(O)COC AMY25050 [0,2,0,0,0,0|2,0,0]=4 456 B7R0.7 O=C(CCCl)CCCl AMY9352 [0,2,0,0,0,0|1,0,1]=4 457 B7R0.10 CC[C@@H](C)[C@@H](N)CO AM20090276 [0,2,0,0,0,0|1,0,0]=3 458 B7R0.10 OC[C@@H](O)[C@H](S)CS AMY39309 [0,2,0,0,0,0|2,0,0]=4 459 B7R0.10 OC[C@H](O)[C@H](O)CO AM83963 [0,2,0,0,0,0|2,0,0]=4 460 B7R0.11 CCCC(C)(C)CO AM20120588 [0,2,0,0,0,0|1,0,0]=3 461 B7R0.11 COC(C)(C)CCN AMY21326 [0,2,0,0,0,0|1,0,0]=3 462 B7R0.12 CCCC(CO)CO AMY36979 [0,2,0,0,0,0|1,0,0]=3 463 B7R0.12 CCCN(CC)CC AMY13337 [0,2,0,0,0,0|2,0,0]=4 464 B7R0.12 CCN(CC)CCCl AM20110242 [0,2,0,0,0,0|2,0,0]=4 465 B7R0.12 CCN(CC)CCN AMY358 [0,2,0,0,0,0|1,0,0]=3 466 B7R0.12 CCN[C@@H](CC)CO AM807033 [0,2,0,0,0,0|2,0,0]=4 467 B7R0.12 CCO[C@H](C#N)CBr AMY20255 [0,2,0,0,0,0|2,0,0]=4 468 B7R0.12 COC(CCBr)OC AMY19911 [0,2,0,0,0,0|2,0,0]=4 469 B7R0.12 COC(CCO)OC AMY38618 [0,2,0,0,0,0|2,0,0]=4 470 B7R0.4 CC(=O)CCCCCl AM90172 [0,2,0,0,0,0|1,0,0]=3 471 B7R0.4 CC(=O)NCCCN AMY36360 [0,2,0,0,0,0|0,0,1]=3 472 B7R0.4 CC(C)CCON=O AMY3781 [0,2,0,0,0,0|1,0,1]=4 473 B7R0.4 CC(C)NCCCO AMY41464 [0,2,0,0,0,0|1,0,0]=3 474 B7R0.4 CCCCC[C@@H](C)O AMY25723 [0,2,0,0,0,0|1,0,0]=3 475 B7R0.4 CCCCC[C@H](C)N AMY3809 [0,2,0,0,0,0|0,0,0]=2 476 B7R0.4 CCCCOC(C)=O AMY11075 [0,2,0,0,0,0|1,0,1]=4 477 B7R0.4 CCCOCC(=O)O AMY4018 [0,2,0,0,0,0|1,0,1]=4 478 B7R0.4 CN(C)CCCCN AMY31964 [0,2,0,0,0,0|0,0,0]=2 479 B7R0.4 CN(C)CCCCO AMY9644 [0,2,0,0,0,0|1,0,0]=3 480 B7R0.4 CNCCCC(=O)O AMY5046 [0,2,0,0,0,0|1,0,1]=4 481 B7R0.4 CNCCCN(C)C AMY28735 [0,2,0,0,0,0|1,0,0]=3 482 B7R0.4 CNCCOC(C)=O AMY15057 [0,2,0,0,0,0|1,0,1]=4 483 B7R0.4 COCCCN(C)C AMY1821 [0,2,0,0,0,0|1,0,0]=3 484 B7R0.4 C[C@H](O)CNCCO AM807035 [0,2,0,0,0,0|1,0,0]=3 485 B7R0.4 NC(=O)COCCCl AMY17904 [0,2,0,0,0,0|1,0,1]=4 486 B7R0.4 NCCCCC(=O)O AM82459 [0,2,0,0,0,0|0,0,1]=3 487 B7R0.4 NCCCCC(=O)O AMY39227 [0,2,0,0,0,0|0,0,1]=3 488 B7R0.4 O=C(Cl)CCCCBr AM85775 [0,2,0,0,0,0|1,0,1]=4 489 B7R0.4 O=C(Cl)CCCCCl AMY12305 [0,2,0,0,0,0|1,0,1]=4 490 B7R0.4 O=C(O)CCCCBr AM85660 [0,2,0,0,0,0|1,0,1]=4 491 B7R0.4 O=C(O)CCCCCl AMY40897 [0,2,0,0,0,0|1,0,1]=4 492 B7R0.6 CC(C)CCB(O)O AM90168 [0,2,0,0,0,0|2,0,0]=4 493 B7R0.6 CC(C)CCC(=O)Cl AMY33518 [0,2,0,0,0,0|1,0,1]=4 494 B7R0.6 CC(C)CC[C@H](C)N AMY3922 [0,2,0,0,0,0|0,0,0]=2 495 B7R0.8 CCCCC(C)(O)O AMY1200 [0,2,0,0,0,0|1,0,0]=3 496 B7R0.8 CCCC[B-](F)(F)F AMY998 [0,2,0,0,0,0|2,0,0]=4 497 B7R0.8 CCCNS(N)(=O)=O AMY40359 [0,2,0,0,0,0|2,0,0]=4 498 B7R0.8 CS(=O)(=O)CCCO AMY42220 [0,2,0,0,0,0|2,0,0]=4 499 B7R0.8 C[Si](C)(Cl)CCCCl AMY42212 [0,2,0,0,0,0|1,1,0]=4 500 B7R0.8 FC(F)(F)CCCI AMY19977 [0,2,0,0,0,0|2,0,0]=4 501 B7R0.8 NCCCC(F)(F)F AMY15208 [0,2,0,0,0,0|1,0,0]=3 502 B7R0.8 NCCCP(=O)(O)O AM20080224 [0,2,0,0,0,0|2,0,0]=4 503 B7R0.8 NCCCS(=O)(=O)O AMY23443 [0,2,0,0,0,0|2,0,0]=4 504 B7R0.8 NCCCS(=O)(=O)[O-] AMY41221 [0,2,0,0,0,0|2,0,0]=4 505 B7R0.8 OCCCC(F)(F)F AMY6826 [0,2,0,0,0,0|2,0,0]=4 506 B7R0.1 BrCCCCCCBr AMY11215 [0,2,0,0,0,0|1,0,0]=3 507 B7R0.1 C#CCCCCCC AMY25742 [0,2,0,0,0,0|1,0,0]=3 508 B7R0.1 C=CCCCCC=C AMY22303 [0,2,0,0,0,0|1,0,1]=4 509 B7R0.1 C=CCCCCC=O AMY2455 [0,2,0,0,0,0|1,0,1]=4 510 B7R0.1 C=CCCCCCCl AM85971 [0,2,0,0,0,0|1,0,0]=3 511 B7R0.1 C=CCCCCCO AMY7500 [0,2,0,0,0,0|1,0,0]=3 512 B7R0.1 C=CCCCCNC AMY41147 [0,2,0,0,0,0|0,0,1]=3 513 B7R0.1 CCCCCON=O AMY3989 [0,2,0,0,0,0|0,0,1]=3 514 B7R0.1 CNCCCCNC AMY13612 [0,2,0,0,0,0|0,0,0]=2 515 B7R0.1 ClCCCCCCCl AM84762 [0,2,0,0,0,0|1,0,0]=3 516 B7R0.1 N#CCCCCCBr AMY18606 [0,2,0,0,0,0|0,0,1]=3 517 B7R0.1 N#CCCSCCO AMY25176 [0,2,0,0,0,0|0,0,2]=4 518 B7R0.1 NCCCCCCO AMY18359 [0,2,0,0,0,0|0,0,0]=2 519 B7R0.1 NCCCCCCS AMY32225 [0,2,0,0,0,0|0,0,0]=2 520 B7R0.1 NCCCNCCBr AM20090252 [0,2,0,0,0,0|0,0,0]=2 521 B7R0.1 NCCSSCCN AM20100373 [0,2,0,0,0,0|1,0,0]=3 522 B7R0.1 OCCCCCCBr AMY2822 [0,2,0,0,0,0|1,0,0]=3 523 B7R0.1 OCCCCCCCl AMY25606 [0,2,0,0,0,0|1,0,0]=3 524 B7R0.1 OCCCNCCO AMY15136 [0,2,0,0,0,0|1,0,0]=3 525 B7R0.1 OCCCOCCCl AM806608 [0,2,0,0,0,0|1,0,0]=3 526 B5R1.1 C1=CCNC1 AM20100570 [1,0,0,1,0,0|0,0,2]=4 527 B5R1.1 C1=CCNC1 AM9928 [1,0,0,1,0,0|0,0,2]=4 528 B5R1.1 C1=CNCC1 AMY6075 [1,0,0,1,0,0|0,0,2]=4 529 B5R1.1 C1CCNC1 AMY10044 [1,0,0,1,0,0|0,0,0]=2 530 B5R1.1 C1CCOC1 AMY11079 [1,0,0,1,0,0|1,0,0]=3 531 B5R1.1 C1CCOC1 AMY14809 [1,0,0,1,0,0|1,0,0]=3 532 B5R1.1 C1CCOC1 AMY14877 [1,0,0,1,0,0|1,0,0]=3 533 B5R1.1 C1CNNC1 AMY28694 [1,0,0,1,0,0|1,0,0]=3 534 B5R1.1 C1CNOC1 AM803837 [1,0,0,1,0,0|1,0,0]=3 535 B5R1.1 C1COCN1 AMY42397 [1,0,0,1,0,0|1,0,0]=3 536 B5R1.1 C1CSCN1 AMY40189 [1,0,0,1,0,0|1,0,0]=3 537 B5R1.2 BrC1CCC1 AM803913 [1,0,0,1,0,0|1,0,0]=3 538 B5R1.2 BrC1CNC1 AMY34832 [1,0,0,1,0,0|2,0,0]=4 539 B5R1.2 BrC1COC1 AM20020035 [1,0,0,1,0,0|2,0,0]=4 540 B5R1.2 CC1CNC1 AM20120351 [1,0,0,1,0,0|1,0,0]=3 541 B5R1.2 C[C@H]1CCN1 AM806564 [1,0,0,1,0,0|0,0,0]=2 542 B5R1.2 ClC1CCC1 AMY6175 [1,0,0,1,0,0|1,0,0]=3 543 B5R1.2 ClC1CNC1 AMY33719 [1,0,0,1,0,0|2,0,0]=4 544 B5R1.2 ClC1COC1 AMY34839 [1,0,0,1,0,0|2,0,0]=4 545 B5R1.2 FC1CNC1 AM20100512 [1,0,0,1,0,0|2,0,0]=4 546 B5R1.2 FC1CNC1 AMY12200 [1,0,0,1,0,0|2,0,0]=4 547 B5R1.2 FC1COC1 AM20020027 [1,0,0,1,0,0|2,0,0]=4 548 B5R1.2 IC1CCC1 AMY6180 [1,0,0,1,0,0|1,0,0]=3 549 B5R1.2 IC1COC1 AM20020026 [1,0,0,1,0,0|2,0,0]=4 550 B5R1.2 NC1CCC1 AMY2668 [1,0,0,1,0,0|0,0,0]=2 551 B5R1.2 NC1CCC1 AMY6177 [1,0,0,1,0,0|0,0,0]=2 552 B5R1.2 NC1CNC1 AMY6172 [1,0,0,1,0,0|1,0,0]=3 553 B5R1.2 NC1COC1 AM20020021 [1,0,0,1,0,0|1,0,0]=3 554 B5R1.2 NC1COC1 AM85383 [1,0,0,1,0,0|1,0,0]=3 555 B5R1.2 NC1CSC1 AM20120367 [1,0,0,1,0,0|1,0,0]=3 556 B5R1.2 N[C@@H]1CCO1 AMY1804 [1,0,0,1,0,0|1,0,0]=3 557 B5R1.2 O=C1CCC1 AM20070575 [1,0,0,1,0,0|1,0,1]=4 558 B5R1.2 O=C1CCN1 AMY18291 [1,0,0,1,0,0|1,0,1]=4 559 B5R1.2 OC1CCC1 AM803645 [1,0,0,1,0,0|1,0,0]=3 560 B5R1.2 OC1CNC1 AM20100158 [1,0,0,1,0,0|2,0,0]=4 561 B5R1.2 OC1COC1 AM20020046 [1,0,0,1,0,0|2,0,0]=4 562 B5R1.2 OC1CSC1 AMY35636 [1,0,0,1,0,0|2,0,0]=4 563 B5R1.2 SC1COC1 AMY33758 [1,0,0,1,0,0|2,0,0]=4 564 B5R1.3 BrCC1CC1 AM90231 [1,0,0,1,0,0|1,0,0]=3 565 B5R1.3 BrC[C@H]1CO1 AMY31919 [1,0,0,1,0,0|2,0,0]=4 566 B5R1.3 C#CC1CC1 AM20100625 [1,0,0,1,0,0|0,0,2]=4 567 B5R1.3 CNC1CC1 AM20100262 [1,0,0,1,0,0|1,0,0]=3 568 B5R1.3 CNC1CC1 AM20100622 [1,0,0,1,0,0|1,0,0]=3 569 B5R1.3 ClCC1CC1 AM20100440 [1,0,0,1,0,0|1,0,0]=3 570 B5R1.3 ClC[C@H]1CO1 AM20090809 [1,0,0,1,0,0|2,0,0]=4 571 B5R1.3 ClC[C@H]1CO1 AM20090812 [1,0,0,1,0,0|2,0,0]=4 572 B5R1.3 ClC[C@H]1CO1 AMY40813 [1,0,0,1,0,0|2,0,0]=4 573 B5R1.3 ICC1CC1 AMY6123 [1,0,0,1,0,0|1,0,0]=3 574 B5R1.3 IC[C@H]1CO1 AMY5696 [1,0,0,1,0,0|2,0,0]=4 575 B5R1.3 N#CC1CC1 AMY3403 [1,0,0,1,0,0|0,0,2]=4 576 B5R1.3 NCC1CC1 AM61420 [1,0,0,1,0,0|0,0,0]=2 577 B5R1.3 NNC1CC1 AM10015 [1,0,0,1,0,0|1,0,0]=3 578 B5R1.3 O=CC1CC1 AM90182 [1,0,0,1,0,0|1,0,1]=4 579 B5R1.3 OCC1CC1 AM20090298 [1,0,0,1,0,0|1,0,0]=3 580 B5R1.3 OC[C@H]1CO1 AM20100365 [1,0,0,1,0,0|2,0,0]=4 581 B5R1.3 OC[C@H]1CO1 AM20100474 [1,0,0,1,0,0|2,0,0]=4 582 B5R1.3 OC[C@H]1CO1 AM81447 [1,0,0,1,0,0|2,0,0]=4 583 B5R1.4 CC1CC1N AM806543 [1,0,0,1,0,0|0,0,0]=2 584 B5R1.4 CC1CC1N AM806563 [1,0,0,1,0,0|0,0,0]=2 585 B5R1.4 C[C@H]1C[C@H]1F AMY5813 [1,0,0,1,0,0|1,0,0]=3 586 B5R1.4 FC1CC1Br AMY5835 [1,0,0,1,0,0|2,0,0]=4 587 B5R1.4 N[C@@H]1CC1F AM84389 [1,0,0,1,0,0|1,0,0]=3 588 B5R1.4 N[C@H]1C[C@H]1N AMY35674 [1,0,0,1,0,0|1,0,0]=3 589 B7R1.1 BrCC1CCCC1 AMY6992 [0,1,0,1,0,0|1,0,0]=3 590 B7R1.1 BrCC1OCCO1 AMY39416 [0,1,0,1,0,0|2,0,0]=4 591 B7R1.1 BrC[C@H]1CCCN1 AM100802 [0,1,0,1,0,0|0,0,0]=2 592 B7R1.1 BrC[C@H]1CCCN1 AM102098 [0,1,0,1,0,0|0,0,0]=2 593 B7R1.1 BrC[C@H]1CCCN1 AM93871 [0,1,0,1,0,0|0,0,0]=2 594 B7R1.1 BrC[C@H]1CCCO1 AMY38018 [0,1,0,1,0,0|1,0,0]=3 595 B7R1.1 BrC[C@H]1CCNC1 AM91583 [0,1,0,1,0,0|1,0,0]=3 596 B7R1.1 BrC[C@H]1CCNC1 AM94346 [0,1,0,1,0,0|1,0,0]=3 597 B7R1.1 BrC[C@H]1CCOC1 AM20080466 [0,1,0,1,0,0|1,0,0]=3 598 B7R1.1 C=CN1CCCC1 AM85776 [0,1,0,1,0,0|1,0,1]=4 599 B7R1.1 CCC1=NCCO1 AM84318 [0,1,0,1,0,0|0,0,2]=4 600 B7R1.1 CC[C@@H]1CCCN1 AMY37667 [0,1,0,1,0,0|0,0,0]=2 601 B7R1.1 CC[C@@H]1CCNC1 AMY34410 [0,1,0,1,0,0|0,0,0]=2 602 B7R1.1 CC[C@H]1CCCN1 AMY37675 [0,1,0,1,0,0|0,0,0]=2 603 B7R1.1 CC[C@H]1CCNC1 AMY34423 [0,1,0,1,0,0|0,0,0]=2 604 B7R1.1 CNC1CCCC1 AMY10584 [0,1,0,1,0,0|0,0,0]=2 605 B7R1.1 CN[C@@H]1CCOC1 AMY37512 [0,1,0,1,0,0|1,0,0]=3 606 B7R1.1 CN[C@H]1CCNC1 AM101327 [0,1,0,1,0,0|1,0,0]=3 607 B7R1.1 CN[C@H]1CCNC1 AM97548 [0,1,0,1,0,0|1,0,0]=3 608 B7R1.1 CN[C@H]1CCNC1 AM97549 [0,1,0,1,0,0|1,0,0]=3 609 B7R1.1 CN[C@H]1CCOC1 AM20120293 [0,1,0,1,0,0|1,0,0]=3 610 B7R1.1 CN[C@H]1CCOC1 AMY34214 [0,1,0,1,0,0|1,0,0]=3 611 B7R1.1 CN[C@H]1CCOC1 AMY37563 [0,1,0,1,0,0|1,0,0]=3 612 B7R1.1 COC1=NCCN1 AMY792 [0,1,0,1,0,0|1,0,1]=4 613 B7R1.1 CO[C@H]1CCNC1 AM100854 [0,1,0,1,0,0|1,0,0]=3 614 B7R1.1 CO[C@H]1CCNC1 AM20100541 [0,1,0,1,0,0|1,0,0]=3 615 B7R1.1 CO[C@H]1CCNC1 AM91096 [0,1,0,1,0,0|1,0,0]=3 616 B7R1.1 CO[C@H]1CCNC1 AM91097 [0,1,0,1,0,0|1,0,0]=3 617 B7R1.1 CO[C@H]1CCNC1 AM97517 [0,1,0,1,0,0|1,0,0]=3 618 B7R1.1 ClCC1=NCCN1 AMY745 [0,1,0,1,0,0|1,0,1]=4 619 B7R1.1 ClC[C@H]1CCCN1 AM100703 [0,1,0,1,0,0|0,0,0]=2 620 B7R1.1 ClC[C@H]1CCCN1 AM100886 [0,1,0,1,0,0|0,0,0]=2 621 B7R1.1 ClC[C@H]1CCCN1 AM100930 [0,1,0,1,0,0|0,0,0]=2 622 B7R1.1 ClC[C@H]1CCNC1 AM101443 [0,1,0,1,0,0|1,0,0]=3 623 B7R1.1 ClC[C@H]1CCNC1 AM91070 [0,1,0,1,0,0|1,0,0]=3 624 B7R1.1 FC[C@H]1CCCN1 AM20110257 [0,1,0,1,0,0|0,0,0]=2 625 B7R1.1 IC[C@H]1CCCN1 AM100991 [0,1,0,1,0,0|0,0,0]=2 626 B7R1.1 IC[C@H]1CCCN1 AM92918 [0,1,0,1,0,0|0,0,0]=2 627 B7R1.1 IC[C@H]1CCCN1 AM96723 [0,1,0,1,0,0|0,0,0]=2 628 B7R1.1 IC[C@H]1CCNC1 AM91584 [0,1,0,1,0,0|1,0,0]=3 629 B7R1.1 IC[C@H]1CCNC1 AM94098 [0,1,0,1,0,0|1,0,0]=3 630 B7R1.1 IC[C@H]1CCOC1 AMY33647 [0,1,0,1,0,0|1,0,0]=3 631 B7R1.1 N#CN1CCCC1 AMY41640 [0,1,0,1,0,0|0,0,2]=4 632 B7R1.1 N#C[C@@H]1CCCN1 AMY14984 [0,1,0,1,0,0|0,0,1]=3 633 B7R1.1 N#C[C@@H]1CCCN1 AMY34394 [0,1,0,1,0,0|0,0,1]=3 634 B7R1.1 N#C[C@@H]1CCCN1 AMY35407 [0,1,0,1,0,0|0,0,1]=3 635 B7R1.1 N#C[C@@H]1CCCS1 AM806595 [0,1,0,1,0,0|0,0,2]=4 636 B7R1.1 N#C[C@@H]1CCNC1 AMY37510 [0,1,0,1,0,0|0,0,2]=4 637 B7R1.1 N#C[C@H]1CCNC1 AM20080099 [0,1,0,1,0,0|0,0,2]=4 638 B7R1.1 N#C[C@H]1CCNC1 AM20080100 [0,1,0,1,0,0|0,0,2]=4 639 B7R1.1 N#C[C@H]1CCNC1 AMY37559 [0,1,0,1,0,0|0,0,2]=4 640 B7R1.1 N#C[C@H]1CCOC1 AMY2709 [0,1,0,1,0,0|0,0,2]=4 641 B7R1.1 NCC1CCCC1 AM20100430 [0,1,0,1,0,0|0,0,0]=2 642 B7R1.1 NCC1CCCC1 AM804123 [0,1,0,1,0,0|0,0,0]=2 643 B7R1.1 NC[C@H]1CCCN1 AM20100417 [0,1,0,1,0,0|0,0,0]=2 644 B7R1.1 NC[C@H]1CCCN1 AMY5139 [0,1,0,1,0,0|0,0,0]=2 645 B7R1.1 NC[C@H]1CCCO1 AM81808 [0,1,0,1,0,0|0,0,0]=2 646 B7R1.1 NC[C@H]1CCCO1 AM81809 [0,1,0,1,0,0|0,0,0]=2 647 B7R1.1 NC[C@H]1CCOC1 AM20070698 [0,1,0,1,0,0|0,0,0]=2 648 B7R1.1 NC[C@H]1CCOC1 AM20070699 [0,1,0,1,0,0|0,0,0]=2 649 B7R1.1 NC[C@H]1CCOC1 AM20080467 [0,1,0,1,0,0|0,0,0]=2 650 B7R1.1 NC[C@H]1CCOC1 AM20090079 [0,1,0,1,0,0|0,0,0]=2 651 B7R1.1 NNC1CCCC1 AM803574 [0,1,0,1,0,0|0,0,0]=2 652 B7R1.1 NN[C@@H]1CCOC1 AMY37477 [0,1,0,1,0,0|1,0,0]=3 653 B7R1.1 NN[C@H]1CCOC1 AM9768 [0,1,0,1,0,0|1,0,0]=3 654 B7R1.1 NN[C@H]1CCOC1 AMY13662 [0,1,0,1,0,0|1,0,0]=3 655 B7R1.1 NOC1CCCC1 AMY27645 [0,1,0,1,0,0|0,0,0]=2 656 B7R1.1 O=CC1CCCC1 AM83284 [0,1,0,1,0,0|1,0,0]=3 657 B7R1.1 O=CN1CCCC1 AMY24174 [0,1,0,1,0,0|1,0,1]=4 658 B7R1.1 O=C[C@@H]1CCCN1 AM101023 [0,1,0,1,0,0|0,0,1]=3 659 B7R1.1 O=C[C@@H]1CCCN1 AM95058 [0,1,0,1,0,0|0,0,1]=3 660 B7R1.1 O=C[C@@H]1CCCN1 AM95490 [0,1,0,1,0,0|0,0,1]=3 661 B7R1.1 O=C[C@@H]1CCCO1 AM85907 [0,1,0,1,0,0|1,0,1]=4 662 B7R1.1 O=C[C@H]1CCNC1 AM101346 [0,1,0,1,0,0|1,0,1]=4 663 B7R1.1 O=C[C@H]1CCNC1 AM94342 [0,1,0,1,0,0|1,0,1]=4 664 B7R1.1 O=C[C@H]1CCOC1 AMY5966 [0,1,0,1,0,0|1,0,1]=4 665 B7R1.1 OCC1CC=CC1 AM20090293 [0,1,0,1,0,0|1,0,1]=4 666 B7R1.1 OCC1CCCC1 AM20090579 [0,1,0,1,0,0|1,0,0]=3 667 B7R1.1 OCC1OCCO1 AMY35660 [0,1,0,1,0,0|2,0,0]=4 668 B7R1.1 OC[C@@H]1CCCO1 AMY19263 [0,1,0,1,0,0|1,0,0]=3 669 B7R1.1 OC[C@H]1CCCN1 AM20100639 [0,1,0,1,0,0|0,0,0]=2 670 B7R1.1 OC[C@H]1CCCN1 AM803960 [0,1,0,1,0,0|0,0,0]=2 671 B7R1.1 OC[C@H]1CCCN1 AM82208 [0,1,0,1,0,0|0,0,0]=2 672 B7R1.1 OC[C@H]1CCCO1 AM81815 [0,1,0,1,0,0|1,0,0]=3 673 B7R1.1 OC[C@H]1CCCO1 AMY19266 [0,1,0,1,0,0|1,0,0]=3 674 B7R1.1 OC[C@H]1CCNC1 AM20080050 [0,1,0,1,0,0|1,0,0]=3 675 B7R1.1 OC[C@H]1CCNC1 AM20100247 [0,1,0,1,0,0|1,0,0]=3 676 B7R1.1 OC[C@H]1CCNC1 AMY20013 [0,1,0,1,0,0|1,0,0]=3 677 B7R1.1 OC[C@H]1CCOC1 AM20080182 [0,1,0,1,0,0|1,0,0]=3 678 B7R1.1 OC[C@H]1CCOC1 AM20080421 [0,1,0,1,0,0|1,0,0]=3 679 B7R1.1 OC[C@H]1CCOC1 AMY23730 [0,1,0,1,0,0|1,0,0]=3 680 B7R1.1 ON=C1CCCC1 AM20080131 [0,1,0,1,0,0|0,0,2]=4 681 B7R1.1 SC[C@H]1CCNC1 AM98788 [0,1,0,1,0,0|1,0,0]=3 682 B7R1.2 CN1CC[C@@H](N)C1 AMY4251 [0,1,0,1,0,0|1,0,0]=3 683 B7R1.2 CN1CC[C@@H](O)C1 AMY6896 [0,1,0,1,0,0|2,0,0]=4 684 B7R1.2 CN1CC[C@H](Br)C1 AM90549 [0,1,0,1,0,0|2,0,0]=4 685 B7R1.2 CN1CC[C@H](Br)C1 AM95159 [0,1,0,1,0,0|2,0,0]=4 686 B7R1.2 CN1CC[C@H](Br)C1 AM95472 [0,1,0,1,0,0|2,0,0]=4 687 B7R1.2 CN1CC[C@H](Cl)C1 AM90550 [0,1,0,1,0,0|2,0,0]=4 688 B7R1.2 CN1CC[C@H](Cl)C1 AM95465 [0,1,0,1,0,0|2,0,0]=4 689 B7R1.2 CN1CC[C@H](Cl)C1 AM96651 [0,1,0,1,0,0|2,0,0]=4 690 B7R1.2 CN1CC[C@H](I)C1 AM95042 [0,1,0,1,0,0|2,0,0]=4 691 B7R1.2 CN1CC[C@H](I)C1 AM96157 [0,1,0,1,0,0|2,0,0]=4 692 B7R1.2 CN1CC[C@H](I)C1 AM96345 [0,1,0,1,0,0|2,0,0]=4 693 B7R1.2 CN1CC[C@H](N)C1 AM100508 [0,1,0,1,0,0|1,0,0]=3 694 B7R1.2 CN1CC[C@H](N)C1 AM20080232 [0,1,0,1,0,0|1,0,0]=3 695 B7R1.2 CN1CC[C@H](N)C1 AM20100169 [0,1,0,1,0,0|1,0,0]=3 696 B7R1.2 CN1CC[C@H](N)C1 AMY4271 [0,1,0,1,0,0|1,0,0]=3 697 B7R1.2 CN1CC[C@H](O)C1 AM20080233 [0,1,0,1,0,0|2,0,0]=4 698 B7R1.2 CN1CC[C@H](O)C1 AMY30559 [0,1,0,1,0,0|2,0,0]=4 699 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [0,1,0,1,0,0|0,0,1]=3 700 B7R1.2 C[C@@H]1CC[C@@H](C)N1 AMY202003238 [0,1,0,1,0,0|0,0,0]=2 701 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [0,1,0,1,0,0|1,0,1]=4 702 B7R1.2 C[C@@H]1C[C@H](O)CN1 AMY19216 [0,1,0,1,0,0|0,0,0]=2 703 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [0,1,0,1,0,0|1,0,1]=4 704 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [0,1,0,1,0,0|0,0,1]=3 705 B7R1.2 C[C@H]1CC[C@H](C)N1 AMY202003211 [0,1,0,1,0,0|0,0,0]=2 706 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [0,1,0,1,0,0|1,0,1]=4 707 B7R1.2 C[C@H]1C[C@@H](N)CN1 AMY19213 [0,1,0,1,0,0|0,0,0]=2 708 B7R1.2 C[C@H]1C[C@@H](O)CN1 AMY19265 [0,1,0,1,0,0|0,0,0]=2 709 B7R1.2 C[C@H]1C[C@H](N)CN1 AMY19217 [0,1,0,1,0,0|0,0,0]=2 710 B7R1.2 C[C@H]1C[C@H](O)CN1 AMY19218 [0,1,0,1,0,0|0,0,0]=2 711 B7R1.2 NC1CCC(O)C1 AMY19619 [0,1,0,1,0,0|0,0,0]=2 712 B7R1.2 N[C@@H]1CC[C@@H](O)C1 AMY19602 [0,1,0,1,0,0|0,0,0]=2 713 B7R1.2 N[C@@H]1CC[C@H](O)C1 AM802861 [0,1,0,1,0,0|0,0,0]=2 714 B7R1.2 N[C@@H]1CNC(=O)C1 AMY34929 [0,1,0,1,0,0|1,0,1]=4 715 B7R1.2 N[C@@H]1COC(=O)C1 AMY22231 [0,1,0,1,0,0|1,0,1]=4 716 B7R1.2 N[C@H]1CC[C@@H](F)C1 AMY34349 [0,1,0,1,0,0|0,0,0]=2 717 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12396 [0,1,0,1,0,0|0,0,0]=2 718 B7R1.2 N[C@H]1CC[C@@H](O)C1 AMY12405 [0,1,0,1,0,0|0,0,0]=2 719 B7R1.2 N[C@H]1CC[C@H](O)C1 AM804591 [0,1,0,1,0,0|0,0,0]=2 720 B7R1.2 N[C@H]1CC[C@H](O)C1 AMY19540 [0,1,0,1,0,0|0,0,0]=2 721 B7R1.2 N[C@H]1COC(=O)C1 AMY18836 [0,1,0,1,0,0|1,0,1]=4 722 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [0,1,0,1,0,0|1,0,1]=4 723 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [0,1,0,1,0,0|1,0,1]=4 724 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [0,1,0,1,0,0|1,0,1]=4 725 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [0,1,0,1,0,0|1,0,1]=4 726 B7R1.2 OC1CCC(O)C1 AMY33501 [0,1,0,1,0,0|1,0,0]=3 727 B7R1.2 [CH][C@H]1CCN(C)C1 AMY4401 [0,1,0,1,0,0|2,0,0]=4 728 B7R1.3 BrC1=CCCCC1 AMY38285 [0,1,0,1,0,0|1,0,1]=4 729 B7R1.3 BrC1CCNCC1 AM101554 [0,1,0,1,0,0|0,0,0]=2 730 B7R1.3 BrC1CCNCC1 AM20100339 [0,1,0,1,0,0|0,0,0]=2 731 B7R1.3 BrC1CCNCC1 AM90402 [0,1,0,1,0,0|0,0,0]=2 732 B7R1.3 BrC1CCOCC1 AM90079 [0,1,0,1,0,0|1,0,0]=3 733 B7R1.3 Br[C@@H]1C=CCCC1 AM20080711 [0,1,0,1,0,0|1,0,1]=4 734 B7R1.3 Br[C@H]1CCCNC1 AM100929 [0,1,0,1,0,0|0,0,0]=2 735 B7R1.3 Br[C@H]1CCCNC1 AM90468 [0,1,0,1,0,0|0,0,0]=2 736 B7R1.3 Br[C@H]1CCCOC1 AM20080215 [0,1,0,1,0,0|1,0,0]=3 737 B7R1.3 C=C1CCCCC1 AMY736 [0,1,0,1,0,0|1,0,0]=3 738 B7R1.3 C=C1CCCOC1 AMY6008 [0,1,0,1,0,0|1,0,1]=4 739 B7R1.3 C=C1CCNCC1 AMY5962 [0,1,0,1,0,0|0,0,1]=3 740 B7R1.3 C=C1CCNCC1 AMY6101 [0,1,0,1,0,0|0,0,1]=3 741 B7R1.3 C=C1CCNCC1 AMY6167 [0,1,0,1,0,0|0,0,1]=3 742 B7R1.3 C=C1CCOCC1 AMY34984 [0,1,0,1,0,0|1,0,1]=4 743 B7R1.3 CC1=CCNCC1 AMY33784 [0,1,0,1,0,0|0,0,2]=4 744 B7R1.3 CC1=CCOCC1 AMY5953 [0,1,0,1,0,0|1,0,1]=4 745 B7R1.3 CC1=COCCC1 AMY6007 [0,1,0,1,0,0|1,0,1]=4 746 B7R1.3 CC1CCNCC1 AMY23280 [0,1,0,1,0,0|0,0,0]=2 747 B7R1.3 CC1CCOCC1 AMY6168 [0,1,0,1,0,0|1,0,0]=3 748 B7R1.3 CC1SCCCS1 AMY24701 [0,1,0,1,0,0|1,0,0]=3 749 B7R1.3 CN1CCCCC1 AM20100531 [0,1,0,1,0,0|0,0,0]=2 750 B7R1.3 CN1CCNCC1 AM81360 [0,1,0,1,0,0|1,0,0]=3 751 B7R1.3 CN1CCOCC1 AMY14818 [0,1,0,1,0,0|1,0,0]=3 752 B7R1.3 C[C@@H]1CNCCO1 AMY11004 [0,1,0,1,0,0|1,0,0]=3 753 B7R1.3 C[C@@H]1COCCN1 AMY21764 [0,1,0,1,0,0|0,0,0]=2 754 B7R1.3 C[C@H]1C=CCCO1 AMY6012 [0,1,0,1,0,0|1,0,1]=4 755 B7R1.3 C[C@H]1CCCCN1 AM20080042 [0,1,0,1,0,0|0,0,0]=2 756 B7R1.3 C[C@H]1CCCCN1 AM81342 [0,1,0,1,0,0|0,0,0]=2 757 B7R1.3 C[C@H]1CCCNC1 AM86032 [0,1,0,1,0,0|0,0,0]=2 758 B7R1.3 C[C@H]1CCCNC1 AM86033 [0,1,0,1,0,0|0,0,0]=2 759 B7R1.3 C[C@H]1CCCNC1 AMY5569 [0,1,0,1,0,0|0,0,0]=2 760 B7R1.3 C[C@H]1CNCCN1 AM20080043 [0,1,0,1,0,0|0,0,0]=2 761 B7R1.3 C[C@H]1CNCCN1 AM81347 [0,1,0,1,0,0|0,0,0]=2 762 B7R1.3 C[C@H]1CNCCN1 AM81348 [0,1,0,1,0,0|0,0,0]=2 763 B7R1.3 C[C@H]1CNCCO1 AM20090347 [0,1,0,1,0,0|1,0,0]=3 764 B7R1.3 C[C@H]1CNCCO1 AM85055 [0,1,0,1,0,0|1,0,0]=3 765 B7R1.3 C[C@H]1CNCCO1 AMY21629 [0,1,0,1,0,0|1,0,0]=3 766 B7R1.3 C[C@H]1CNCCO1 AMY9349 [0,1,0,1,0,0|1,0,0]=3 767 B7R1.3 C[C@H]1COCCN1 AM20100118 [0,1,0,1,0,0|0,0,0]=2 768 B7R1.3 C[C@H]1COCCN1 AM803755 [0,1,0,1,0,0|0,0,0]=2 769 B7R1.3 C[C@H]1COCCN1 AM804311 [0,1,0,1,0,0|0,0,0]=2 770 B7R1.3 C[C@H]1COCCN1 AM806455 [0,1,0,1,0,0|0,0,0]=2 771 B7R1.3 C[C@H]1COCCN1 AMY22799 [0,1,0,1,0,0|0,0,0]=2 772 B7R1.3 ClC1=CCCCC1 AM85974 [0,1,0,1,0,0|1,0,1]=4 773 B7R1.3 ClC1CCCCC1 AM90219 [0,1,0,1,0,0|1,0,0]=3 774 B7R1.3 ClC1CCNCC1 AM100920 [0,1,0,1,0,0|0,0,0]=2 775 B7R1.3 ClC1CCNCC1 AM20100323 [0,1,0,1,0,0|0,0,0]=2 776 B7R1.3 ClC1CCOCC1 AM794 [0,1,0,1,0,0|1,0,0]=3 777 B7R1.3 Cl[C@@H]1CC=CCC1 AMY13656 [0,1,0,1,0,0|1,0,1]=4 778 B7R1.3 Cl[C@H]1CCCNC1 AM100260 [0,1,0,1,0,0|0,0,0]=2 779 B7R1.3 Cl[C@H]1CCCNC1 AM100889 [0,1,0,1,0,0|0,0,0]=2 780 B7R1.3 Cl[C@H]1CCCNC1 AM95167 [0,1,0,1,0,0|0,0,0]=2 781 B7R1.3 Cl[C@H]1CCCNC1 AM96799 [0,1,0,1,0,0|0,0,0]=2 782 B7R1.3 FC1CCNCC1 AM20100405 [0,1,0,1,0,0|0,0,0]=2 783 B7R1.3 FC1CCOCC1 AM100580 [0,1,0,1,0,0|1,0,0]=3 784 B7R1.3 F[C@H]1CCCNC1 AM20080116 [0,1,0,1,0,0|0,0,0]=2 785 B7R1.3 IC1CCNCC1 AM101380 [0,1,0,1,0,0|0,0,0]=2 786 B7R1.3 IC1CCNCC1 AM94352 [0,1,0,1,0,0|0,0,0]=2 787 B7R1.3 IC1CCOCC1 AM20090312 [0,1,0,1,0,0|1,0,0]=3 788 B7R1.3 NC1=NCCCN1 AMY15652 [0,1,0,1,0,0|1,0,1]=4 789 B7R1.3 NC1CCCCC1 AM802905 [0,1,0,1,0,0|0,0,0]=2 790 B7R1.3 NC1CCNCC1 AM85323 [0,1,0,1,0,0|0,0,0]=2 791 B7R1.3 NC1CCNCC1 AM85335 [0,1,0,1,0,0|0,0,0]=2 792 B7R1.3 NC1CCOCC1 AM20090495 [0,1,0,1,0,0|0,0,0]=2 793 B7R1.3 NC1CCOCC1 AM20100013 [0,1,0,1,0,0|0,0,0]=2 794 B7R1.3 NC1CCOCC1 AM669 [0,1,0,1,0,0|0,0,0]=2 795 B7R1.3 NC1CCSCC1 AMY32230 [0,1,0,1,0,0|0,0,0]=2 796 B7R1.3 NC1CCSCC1 AMY3238 [0,1,0,1,0,0|0,0,0]=2 797 B7R1.3 NN1CCCCC1 AM85332 [0,1,0,1,0,0|0,0,0]=2 798 B7R1.3 NN1CCCCC1 AM85348 [0,1,0,1,0,0|0,0,0]=2 799 B7R1.3 NN1CCNCC1 AM20090429 [0,1,0,1,0,0|1,0,0]=3 800 B7R1.3 N[C@@H]1CCCNC1 AMY258 [0,1,0,1,0,0|0,0,0]=2 801 B7R1.3 N[C@@H]1CNCCN1 AM81376 [0,1,0,1,0,0|1,0,0]=3 802 B7R1.3 N[C@H]1CCCNC1 AM20090507 [0,1,0,1,0,0|0,0,0]=2 803 B7R1.3 N[C@H]1CCCNC1 AM20090508 [0,1,0,1,0,0|0,0,0]=2 804 B7R1.3 N[C@H]1CCCNC1 AM81346 [0,1,0,1,0,0|0,0,0]=2 805 B7R1.3 N[C@H]1CCCNC1 AMY19293 [0,1,0,1,0,0|0,0,0]=2 806 B7R1.3 N[C@H]1CCCOC1 AM20080156 [0,1,0,1,0,0|0,0,0]=2 807 B7R1.3 N[C@H]1CCCOC1 AM20120527 [0,1,0,1,0,0|0,0,0]=2 808 B7R1.3 N[C@H]1CCCOC1 AMY34426 [0,1,0,1,0,0|0,0,0]=2 809 B7R1.3 N[C@H]1CCCOC1 AMY41756 [0,1,0,1,0,0|0,0,0]=2 810 B7R1.3 N[C@H]1CCCOC1 AMY5963 [0,1,0,1,0,0|0,0,0]=2 811 B7R1.3 O=C1CCCCN1 AM20100626 [0,1,0,1,0,0|0,0,1]=3 812 B7R1.3 O=C1CCCNC1 AM20100504 [0,1,0,1,0,0|0,0,1]=3 813 B7R1.3 O=C1CCCNC1 AM81341 [0,1,0,1,0,0|0,0,1]=3 814 B7R1.3 O=C1CCCOC1 AM20090251 [0,1,0,1,0,0|1,0,1]=4 815 B7R1.3 O=C1CCCSC1 AM20090115 [0,1,0,1,0,0|1,0,1]=4 816 B7R1.3 O=C1CCNCC1 AM100807 [0,1,0,1,0,0|0,0,1]=3 817 B7R1.3 O=C1CCNCC1 AM20100060 [0,1,0,1,0,0|0,0,1]=3 818 B7R1.3 O=C1CCNCC1 AM803879 [0,1,0,1,0,0|0,0,1]=3 819 B7R1.3 O=C1CCOCC1 AM20090400 [0,1,0,1,0,0|1,0,1]=4 820 B7R1.3 O=C1CCSCC1 AM20080026 [0,1,0,1,0,0|1,0,1]=4 821 B7R1.3 O=C1CNCCN1 AM20100386 [0,1,0,1,0,0|1,0,1]=4 822 B7R1.3 O=C1CNCCO1 AM62713 [0,1,0,1,0,0|1,0,1]=4 823 B7R1.3 O=C1COCCN1 AM20080044 [0,1,0,1,0,0|1,0,1]=4 824 B7R1.3 O=C1CSCCN1 AMY10805 [0,1,0,1,0,0|1,0,1]=4 825 B7R1.3 O=C1NCCCN1 AM90187 [0,1,0,1,0,0|1,0,1]=4 826 B7R1.3 O=C1NCCCO1 AMY19041 [0,1,0,1,0,0|1,0,1]=4 827 B7R1.3 O=S1CCOCC1 AMY42358 [0,1,0,1,0,0|2,0,0]=4 828 B7R1.3 OC1CCNCC1 AM20100322 [0,1,0,1,0,0|0,0,0]=2 829 B7R1.3 OC1CCNCC1 AMY24233 [0,1,0,1,0,0|0,0,0]=2 830 B7R1.3 OC1CCOCC1 AM20090170 [0,1,0,1,0,0|1,0,0]=3 831 B7R1.3 OC1CCSCC1 AMY37357 [0,1,0,1,0,0|1,0,0]=3 832 B7R1.3 O[C@@H]1C=CCCC1 AMY31935 [0,1,0,1,0,0|1,0,1]=4 833 B7R1.3 O[C@@H]1CCCOC1 AMY41582 [0,1,0,1,0,0|1,0,0]=3 834 B7R1.3 O[C@@H]1CNCCO1 AMY36691 [0,1,0,1,0,0|1,0,0]=3 835 B7R1.3 O[C@H]1CCCNC1 AM101043 [0,1,0,1,0,0|0,0,0]=2 836 B7R1.3 O[C@H]1CCCNC1 AM20090141 [0,1,0,1,0,0|0,0,0]=2 837 B7R1.3 O[C@H]1CCCNC1 AM20100189 [0,1,0,1,0,0|0,0,0]=2 838 B7R1.3 O[C@H]1CCCNC1 AM20100577 [0,1,0,1,0,0|0,0,0]=2 839 B7R1.3 O[C@H]1CCCNC1 AM20100636 [0,1,0,1,0,0|0,0,0]=2 840 B7R1.3 O[C@H]1CCCOC1 AM20090136 [0,1,0,1,0,0|1,0,0]=3 841 B7R1.3 S=C1COCCN1 AMY10049 [0,1,0,1,0,0|1,0,1]=4 842 B7R1.3 SC1=NCCCN1 AMY7063 [0,1,0,1,0,0|1,0,1]=4 843 B7R1.3 SC1CCCCC1 AMY11243 [0,1,0,1,0,0|1,0,0]=3 844 B7R1.3 SC1CCOCC1 AM100476 [0,1,0,1,0,0|1,0,0]=3 845 B7R1.3 S[C@H]1CCCNC1 AMY35402 [0,1,0,1,0,0|0,0,0]=2 846 B7R1.4 CC1CNCC1O AM806548 [0,1,0,1,0,0|1,0,0]=3 847 B7R1.4 CN1CCCC1=O AM20110252 [0,1,0,1,0,0|1,0,1]=4 848 B7R1.4 C[C@@H]1SCCC1=O AMY23233 [0,1,0,1,0,0|1,0,1]=4 849 B7R1.4 C[C@H]1CCCC1=O AM84338 [0,1,0,1,0,0|1,0,0]=3 850 B7R1.4 C[C@H]1CCOC1=O AM20090007 [0,1,0,1,0,0|1,0,1]=4 851 B7R1.4 F[C@H]1CNC[C@@H]1F AMY23623 [0,1,0,1,0,0|2,0,0]=4 852 B7R1.4 F[C@H]1CNC[C@H]1F AMY34058 [0,1,0,1,0,0|2,0,0]=4 853 B7R1.4 NC1CCCC1N AMY40491 [0,1,0,1,0,0|0,0,0]=2 854 B7R1.4 NC1CCCC1O AMY1026 [0,1,0,1,0,0|0,0,0]=2 855 B7R1.4 NC1COCC1F AMY23754 [0,1,0,1,0,0|1,0,0]=3 856 B7R1.4 NC1COCC1O AM803216 [0,1,0,1,0,0|1,0,0]=3 857 B7R1.4 NN1CCCC1=O AM84704 [0,1,0,1,0,0|1,0,1]=4 858 B7R1.4 N[C@@H]1CCC[C@@H]1O AMY34344 [0,1,0,1,0,0|0,0,0]=2 859 B7R1.4 N[C@@H]1CCC[C@H]1O AM84914 [0,1,0,1,0,0|0,0,0]=2 860 B7R1.4 N[C@@H]1CCOC1=O AMY22572 [0,1,0,1,0,0|1,0,1]=4 861 B7R1.4 N[C@@H]1COC[C@@H]1N AMY16787 [0,1,0,1,0,0|1,0,0]=3 862 B7R1.4 N[C@@H]1COC[C@H]1O AMY34430 [0,1,0,1,0,0|1,0,0]=3 863 B7R1.4 N[C@H]1CCC[C@@H]1O AMY931 [0,1,0,1,0,0|0,0,0]=2 864 B7R1.4 N[C@H]1CCC[C@H]1N AMY35199 [0,1,0,1,0,0|0,0,0]=2 865 B7R1.4 N[C@H]1CCC[C@H]1O AMY34327 [0,1,0,1,0,0|0,0,0]=2 866 B7R1.4 N[C@H]1CCNC1=O AM20130022 [0,1,0,1,0,0|1,0,1]=4 867 B7R1.4 N[C@H]1CCNC1=O AMY15667 [0,1,0,1,0,0|1,0,1]=4 868 B7R1.4 N[C@H]1CCOC1=O AM20090203 [0,1,0,1,0,0|1,0,1]=4 869 B7R1.4 N[C@H]1CCOC1=O AMY21622 [0,1,0,1,0,0|1,0,1]=4 870 B7R1.4 N[C@H]1CCSC1=O AMY25724 [0,1,0,1,0,0|1,0,1]=4 871 B7R1.4 N[C@H]1COC[C@@H]1O AMY34415 [0,1,0,1,0,0|1,0,0]=3 872 B7R1.4 O=C1CCC[C@@H]1Br AM20090204 [0,1,0,1,0,0|1,0,1]=4 873 B7R1.4 O=C1NCC[C@@H]1O AM20080386 [0,1,0,1,0,0|1,0,1]=4 874 B7R1.4 O=C1NCC[C@@H]1O AM20090532 [0,1,0,1,0,0|1,0,1]=4 875 B7R1.4 O=C1NCC[C@H]1O AMY14450 [0,1,0,1,0,0|1,0,1]=4 876 B7R1.4 O[C@@H]1CCC[C@H]1O AMY19937 [0,1,0,1,0,0|1,0,0]=3 877 B7R1.4 O[C@H]1CNC[C@@H]1F AMY34432 [0,1,0,1,0,0|2,0,0]=4 878 B7R1.4 O[C@H]1CNC[C@@H]1O AMY19214 [0,1,0,1,0,0|2,0,0]=4 879 B7R1.4 O[C@H]1CNC[C@@H]1O AMY6780 [0,1,0,1,0,0|2,0,0]=4 880 B7R1.4 O[C@H]1CNC[C@H]1F AMY35198 [0,1,0,1,0,0|2,0,0]=4 881 B7R1.4 O[C@H]1CNC[C@H]1O AMY16905 [0,1,0,1,0,0|2,0,0]=4 882 B7R1.4 O[C@H]1COC[C@H]1O AMY16786 [0,1,0,1,0,0|2,0,0]=4 883 B7R1.6 CCOC1CNC1 AM804015 [0,1,0,1,0,0|1,0,0]=3 884 B7R1.6 COCC1CNC1 AM20120364 [0,1,0,1,0,0|1,0,0]=3 885 B7R1.6 COCC1CNC1 AMY33648 [0,1,0,1,0,0|1,0,0]=3 886 B7R1.6 N#CCC1CNC1 AMY34671 [0,1,0,1,0,0|0,0,2]=4 887 B7R1.6 NCCC1CCC1 AMY34747 [0,1,0,1,0,0|0,0,0]=2 888 B7R1.6 NCCC1COC1 AMY19670 [0,1,0,1,0,0|0,0,0]=2 889 B7R1.6 NCCN1CCC1 AMY34670 [0,1,0,1,0,0|0,0,0]=2 890 B7R1.6 OCCC1CCC1 AM807009 [0,1,0,1,0,0|1,0,0]=3 891 B7R1.6 OCCC1COC1 AMY19718 [0,1,0,1,0,0|1,0,0]=3 892 B7R1.6 OCCN1CCC1 AM806453 [0,1,0,1,0,0|1,0,0]=3 893 B7R1.6 OCCN1CCC1 AMY37413 [0,1,0,1,0,0|1,0,0]=3 894 B7R1.8 NCC1CCC1F AMY35801 [0,1,0,1,0,0|0,0,0]=2 895 B7R1.9 NC[C@@H]1C[C@H]1CO AMY37214 [0,1,0,1,0,0|0,0,0]=2 896 B7R1.10 C=C1CC(CBr)C1 AM84291 [0,1,0,1,0,0|1,0,1]=4 897 B7R1.10 C=C1CC(CN)C1 AM84290 [0,1,0,1,0,0|0,0,1]=3 898 B7R1.10 C=C1CC(CO)C1 AM84289 [0,1,0,1,0,0|1,0,1]=4 899 B7R1.10 CC1CC(CN)C1 AM806550 [0,1,0,1,0,0|0,0,0]=2 900 B7R1.10 CCN1CC(O)C1 AM803775 [0,1,0,1,0,0|2,0,0]=4 901 B7R1.10 CN1CC(CBr)C1 AM806288 [0,1,0,1,0,0|2,0,0]=4 902 B7R1.10 CN1CC(CN)C1 AMY34321 [0,1,0,1,0,0|1,0,0]=3 903 B7R1.10 CN1CC(CO)C1 AMY35664 [0,1,0,1,0,0|2,0,0]=4 904 B7R1.10 CNC1CC(O)C1 AMY33649 [0,1,0,1,0,0|2,0,0]=4 905 B7R1.10 COC1CC(N)C1 AM807010 [0,1,0,1,0,0|1,0,0]=3 906 B7R1.10 COC1CC(O)C1 AMY41129 [0,1,0,1,0,0|2,0,0]=4 907 B7R1.10 CO[C@H]1C[C@H](N)C1 AMY19617 [0,1,0,1,0,0|1,0,0]=3 908 B7R1.10 N#CC1CC(F)C1 AMY35732 [0,1,0,1,0,0|0,0,2]=4 909 B7R1.10 N#CC1CC(N)C1 AMY33682 [0,1,0,1,0,0|0,0,2]=4 910 B7R1.10 N#CC1CC(O)C1 AMY34857 [0,1,0,1,0,0|0,0,2]=4 911 B7R1.10 N#C[C@H]1C[C@H](O)C1 AMY35861 [0,1,0,1,0,0|0,0,2]=4 912 B7R1.10 NC1CC(CO)C1 AMY32100 [0,1,0,1,0,0|1,0,0]=3 913 B7R1.10 NCC1CC(O)C1 AMY33634 [0,1,0,1,0,0|0,0,0]=2 914 B7R1.10 NC[C@H]1C[C@@H](O)C1 AM20070628 [0,1,0,1,0,0|0,0,0]=2 915 B7R1.10 NC[C@H]1C[C@H](F)C1 AMY34291 [0,1,0,1,0,0|0,0,0]=2 916 B7R1.10 N[C@H]1C[C@@H](CO)C1 AM807011 [0,1,0,1,0,0|1,0,0]=3 917 B7R1.10 O=C1CC(CBr)C1 AM85778 [0,1,0,1,0,0|1,0,1]=4 918 B7R1.10 O=C1CC(CF)C1 AM84266 [0,1,0,1,0,0|1,0,1]=4 919 B7R1.10 O=C1CC(CO)C1 AM20070600 [0,1,0,1,0,0|1,0,1]=4 920 B7R1.10 O=CC1CC(F)C1 AM85365 [0,1,0,1,0,0|1,0,1]=4 921 B7R1.10 OCC1CC(F)C1 AM85531 [0,1,0,1,0,0|1,0,0]=3 922 B7R1.10 OCC1CC(O)C1 AM85526 [0,1,0,1,0,0|1,0,0]=3 923 B7R1.21 COCC1(N)CC1 AMY38195 [0,1,0,1,0,0|2,0,0]=4 924 B7R1.22 CCC(=O)C1CC1 AMY12334 [0,1,0,1,0,0|1,0,1]=4 925 B7R1.22 COC(=O)[C@@H]1CN1 AMY32035 [0,1,0,1,0,0|1,0,1]=4 926 B7R1.22 NNC(=O)C1CC1 AM20100651 [0,1,0,1,0,0|1,0,1]=4 927 B7R1.22 N[C@@H](CO)C1CC1 AM9186 [0,1,0,1,0,0|1,0,0]=3 928 B7R1.22 O=C(CBr)C1CC1 AM87146 [0,1,0,1,0,0|1,0,1]=4 929 B7R1.25 CC1(CBr)COC1 AM20020048 [0,1,0,1,0,0|2,0,0]=4 930 B7R1.25 CC1(CCl)COC1 AM20020049 [0,1,0,1,0,0|2,0,0]=4 931 B7R1.25 CC1(CI)COC1 AM20020007 [0,1,0,1,0,0|2,0,0]=4 932 B7R1.25 CC1(CN)COC1 AM20020018 [0,1,0,1,0,0|1,0,0]=3 933 B7R1.25 CC1(CO)COC1 AM20020031 [0,1,0,1,0,0|2,0,0]=4 934 B7R1.25 CCC1(O)CNC1 AM807070 [0,1,0,1,0,0|2,0,0]=4 935 B7R1.25 C[C@]1(CO)CCN1 AMY35790 [0,1,0,1,0,0|1,0,0]=3 936 B7R1.25 C[C@]1(CO)CCO1 AMY5672 [0,1,0,1,0,0|2,0,0]=4 937 B7R1.25 N#CC1(N)CCC1 AM804260 [0,1,0,1,0,0|0,0,2]=4 938 B7R1.25 N#CC1(N)CCC1 AMY19236 [0,1,0,1,0,0|0,0,2]=4 939 B7R1.25 NC1(CF)COC1 AMY35821 [0,1,0,1,0,0|2,0,0]=4 940 B7R1.25 NCC1(F)CCC1 AMY34316 [0,1,0,1,0,0|0,0,0]=2 941 B7R1.25 NCC1(F)COC1 AMY33683 [0,1,0,1,0,0|1,0,0]=3 942 B7R1.25 NCC1(N)CCC1 AMY6115 [0,1,0,1,0,0|0,0,0]=2 943 B7R1.25 NCC1(N)COC1 AMY34775 [0,1,0,1,0,0|1,0,0]=3 944 B7R1.25 NCC1(O)CCC1 AMY34521 [0,1,0,1,0,0|0,0,0]=2 945 B7R1.25 OCC1(F)CNC1 AMY14763 [0,1,0,1,0,0|2,0,0]=4 946 B7R1.25 OCC1(F)CNC1 AMY14764 [0,1,0,1,0,0|2,0,0]=4 947 B7R1.25 OCC1(F)COC1 AMY38464 [0,1,0,1,0,0|2,0,0]=4 948 B7R1.7 CCOC[C@H]1CO1 AM20100065 [0,1,0,1,0,0|1,0,0]=3 949 B7R1.7 OCC#CC1CC1 AMY34844 [0,1,0,1,0,0|1,0,1]=4 950 B7R1.12 CC1CC1C(=O)O AM803649 [0,1,0,1,0,0|1,0,1]=4 951 B7R1.12 CC1CC1C(N)=O AMY5644 [0,1,0,1,0,0|0,0,1]=3 952 B7R1.12 C[C@@H]1C[C@H]1C(=O)O AMY35644 [0,1,0,1,0,0|1,0,1]=4 953 B7R1.14 CC1(C)CCCN1 AM804148 [0,1,0,1,0,0|0,0,0]=2 954 B7R1.14 CC1(C)CCCN1 AMY17888 [0,1,0,1,0,0|0,0,0]=2 955 B7R1.14 CC1(C)CCNC1 AM20090533 [0,1,0,1,0,0|2,0,0]=4 956 B7R1.14 CC1(C)CCNC1 AMY33663 [0,1,0,1,0,0|2,0,0]=4 957 B7R1.14 CC1(C)NCCO1 AMY42458 [0,1,0,1,0,0|1,0,0]=3 958 B7R1.14 CC1(C)NCCS1 AMY2745 [0,1,0,1,0,0|1,0,0]=3 959 B7R1.14 CC1(N)CCCC1 AM808157 [0,1,0,1,0,0|0,0,0]=2 960 B7R1.14 CC1(O)CCCC1 AMY25573 [0,1,0,1,0,0|1,0,0]=3 961 B7R1.14 C[C@@]1(O)CCNC1 AMY34411 [0,1,0,1,0,0|2,0,0]=4 962 B7R1.14 C[C@]1(N)CCNC1 AM20080696 [0,1,0,1,0,0|1,0,0]=3 963 B7R1.14 C[C@]1(N)CCOC1 AMY33678 [0,1,0,1,0,0|1,0,0]=3 964 B7R1.14 C[C@]1(O)CCNC1 AM20080194 [0,1,0,1,0,0|2,0,0]=4 965 B7R1.14 C[C@]1(O)CCNC1 AMY19290 [0,1,0,1,0,0|2,0,0]=4 966 B7R1.14 C[Si]1(C)CCCC1 AMY42241 [0,1,0,1,0,0|1,1,0]=4 967 B7R1.14 FC1(F)CCCC1 AMY5924 [0,1,0,1,0,0|1,0,0]=3 968 B7R1.14 FC1(F)CCNC1 AM20080456 [0,1,0,1,0,0|2,0,0]=4 969 B7R1.14 FC1(F)CCNC1 AMY15564 [0,1,0,1,0,0|2,0,0]=4 970 B7R1.14 O=S1(=O)CCCC1 AMY33385 [0,1,0,1,0,0|2,0,0]=4 971 B7R1.14 O=S1(=O)CCCN1 AMY9120 [0,1,0,1,0,0|2,0,0]=4 972 B7R1.18 C[C@@H](N)C1CCC1 AM807006 [0,1,0,1,0,0|0,0,0]=2 973 B7R1.18 C[C@H](N)C1CCC1 AM807007 [0,1,0,1,0,0|0,0,0]=2 974 B7R1.18 C[C@H](N)C1CCC1 AM807008 [0,1,0,1,0,0|0,0,0]=2 975 B7R1.18 C[C@H](N)C1COC1 AMY35769 [0,1,0,1,0,0|1,0,0]=3 976 B7R1.18 C[C@H](O)C1CCC1 AMY16099 [0,1,0,1,0,0|1,0,0]=3 977 B7R1.18 C[C@H](O)C1CNC1 AMY34523 [0,1,0,1,0,0|2,0,0]=4 978 B7R1.18 C[C@H](O)C1COC1 AMY35807 [0,1,0,1,0,0|2,0,0]=4 979 B7R1.18 NC(=O)C1CCC1 AMY32785 [0,1,0,1,0,0|0,0,1]=3 980 B7R1.18 NC(=O)C1CNC1 AM20100716 [0,1,0,1,0,0|1,0,1]=4 981 B7R1.18 NC(=O)C1CNC1 AMY34027 [0,1,0,1,0,0|1,0,1]=4 982 B7R1.18 NC(=O)[C@@H]1CCN1 AMY38555 [0,1,0,1,0,0|1,0,1]=4 983 B7R1.18 O=C(O)C1CCC1 AM62800 [0,1,0,1,0,0|1,0,1]=4 984 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090145 [0,1,0,1,0,0|1,0,1]=4 985 B7R1.18 O=C(O)[C@@H]1CCN1 AM20090185 [0,1,0,1,0,0|1,0,1]=4 986 B7R1.18 O=C(O)[C@@H]1CCN1 AM20100766 [0,1,0,1,0,0|1,0,1]=4 987 B7R1.18 O=[N+]([O-])C1CCC1 AMY18168 [0,1,0,1,0,0|2,0,0]=4 988 B7R1.18 OB(O)C1CCC1 AMY30001 [0,1,0,1,0,0|2,0,0]=4 989 B7R1.20 CC(=O)CC1CC1 AM20100099 [0,1,0,1,0,0|1,0,1]=4 990 B7R1.20 O=C(O)CC1CC1 AM20100289 [0,1,0,1,0,0|1,0,1]=4 991 B7R1.23 OC[C@H]1CC1(F)F AMY17963 [0,1,0,1,0,0|2,0,0]=4 992 B7R1.24 C1CNCCNC1 AM100887 [0,1,0,1,0,0|0,0,0]=2 993 B7R1.24 C1CNCCOC1 AM20090058 [0,1,0,1,0,0|0,0,0]=2 994 B7R2.13 C1CC2CC2N1 AM803615 [0,0,0,2,0,0|0,0,0]=2 995 B7R2.13 C1CC2OC2C1 AM20090363 [0,0,0,2,0,0|1,0,0]=3 996 B7R2.13 C1NCC2CC12 AM803636 [0,0,0,2,0,0|0,0,0]=2 997 B7R2.13 C1NCC2CC12 AMY5587 [0,0,0,2,0,0|0,0,0]=2 998 B7R2.11 C1NC2CC1C2 AM803737 [0,0,0,2,0,0|0,0,0]=2 999 B7R2.11 C1NC2CC1C2 AMY33557 [0,0,0,2,0,0|0,0,0]=2 1000 B7R2.16 C1CC12CNC2 AMY35007 [0,0,0,2,0,0|2,0,0]=4 1001 B7R2.8 NC1C2CC1C2 AMY14673 [0,0,0,2,0,0|0,0,0]=2