0 B5R0.1 C=C(C)CCBr AMY7022 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.1 C=CCC(C)=O AMY31929 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 C=CC[C@H](C)N AM9152 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 C=CC[C@H](C)O AM804193 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.1 CC(=O)CC#N AM86800 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 CC(=O)CC#N AMY7035 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 CC(=O)CCO AMY31061 [0,0,0,0,0,0|1,0,3]=4 7 B5R0.1 CC(C)=CC=O AMY42093 [0,0,0,0,0,0|0,0,2]=2 8 B5R0.1 CC(C)=CCBr AMY21882 [0,0,0,0,0,0|1,0,3]=4 9 B5R0.1 CC(C)CNN AM806328 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.1 CC(C)CNN AM9787 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.1 CC(C)CON AMY31434 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.1 CC(C)OCCl AMY23885 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.1 CC(C)\C=N\O AMY37290 [0,0,0,0,0,0|1,0,2]=3 14 B5R0.1 CCCC(C)=O AMY25524 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.1 CCC[C@H](C)N AMY12548 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.1 CCNC(C)C AMY13342 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.1 CN(C)CCBr AM84884 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.1 CN(C)CCCl AM20080022 [0,0,0,0,0,0|2,0,1]=3 19 B5R0.1 CN(C)CCCl AM20100171 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.1 CN(C)CCN AM20080032 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.1 CNCC(C)=O AM806508 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.1 COC[C@@H](C)N AMY19545 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.1 COC[C@H](C)O AM20100219 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.1 C[C@@H](O)CCO AMY25740 [0,0,0,0,0,0|1,0,2]=3 25 B5R0.1 C[C@H](N)CCO AM84886 [0,0,0,0,0,0|1,0,2]=3 26 B5R0.1 C[C@H](N)CCO AM9719 [0,0,0,0,0,0|1,0,2]=3 27 B5R0.1 C[C@H](N)CCO AMY409 [0,0,0,0,0,0|1,0,2]=3 28 B5R0.1 C[C@H](O)CNN AM803409 [0,0,0,0,0,0|3,0,0]=3 29 B5R0.1 C\C=C\C(C)=O AMY31928 [0,0,0,0,0,0|2,0,2]=4 30 B4R0.1 C#C[C@@H](C)O AMY24232 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 C#C[C@H](C)Br AMY12092 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.1 C#C[C@H](C)N AM806670 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 C#C[C@H](C)O AMY34392 [1,0,0,0,0,0|1,0,2]=4 34 B4R0.1 C=C(Br)C=O AMY19362 [1,0,0,0,0,0|1,0,2]=4 35 B4R0.1 C=C(C)C=O AMY28760 [1,0,0,0,0,0|0,0,2]=3 36 B4R0.1 C=C(C)CBr AM85592 [1,0,0,0,0,0|1,0,2]=4 37 B4R0.1 C=C(C)CN AMY13356 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 C=C=C(C)C AMY42296 [1,0,0,0,0,0|0,0,2]=3 39 B4R0.1 C=CC(=C)C AMY37001 [1,0,0,0,0,0|0,0,3]=4 40 B4R0.1 C=C[C@H](C)Cl AMY617 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 C=C[C@H](C)O AMY1257 [1,0,0,0,0,0|1,0,1]=3 42 B4R0.1 CC(=O)CBr AM85840 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 CC(=O)CN AMY15017 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 CC(=O)CN AMY25062 [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 CC(C)=CBr AM85707 [1,0,0,0,0,0|1,0,1]=3 46 B4R0.1 CC(C)=NN AM9761 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 CC(C)=NO AM90369 [1,0,0,0,0,0|1,0,2]=4 48 B4R0.1 CC(C)CBr AMY25783 [1,0,0,0,0,0|1,0,0]=2 49 B4R0.1 CC(C)NN AM20090002 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 CC(C)NN AMY202003297 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.1 CC(C)ON AM90376 [1,0,0,0,0,0|2,0,0]=3 52 B4R0.1 CCC(C)[O-] AMY22246 [1,0,0,0,0,0|1,0,1]=3 53 B4R0.1 CCN(C)C AMY13339 [1,0,0,0,0,0|1,0,1]=3 54 B4R0.1 CC[C@H](C)O AMY11001 [1,0,0,0,0,0|1,0,1]=3 55 B4R0.1 CN(C)C=S AMY40664 [1,0,0,0,0,0|1,1,0]=3 56 B4R0.1 CN(C)CCl AMY39211 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.1 CNC(C)C AMY13353 [1,0,0,0,0,0|1,0,1]=3 58 B4R0.1 C[C@@H](Cl)CO AMY21413 [1,0,0,0,0,0|1,0,1]=3 59 B4R0.1 C[C@@H](N)CN AMY3648 [1,0,0,0,0,0|2,0,0]=3 60 B4R0.1 C[C@H](Br)C#N AMY39192 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.1 C[C@H](Cl)CO AMY21357 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.1 C[C@H](N)C#N AM9634 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.1 C[C@H](N)CN AMY3672 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.1 C[C@H](N)CO AM20090557 [1,0,0,0,0,0|1,0,1]=3 65 B4R0.1 C[C@H](N)CO AM20100507 [1,0,0,0,0,0|1,0,1]=3 66 B4R0.1 C[C@H](O)CN AM20090353 [1,0,0,0,0,0|2,0,0]=3 67 B4R0.1 C[C@H](O)CN AM20100779 [1,0,0,0,0,0|2,0,0]=3 68 B4R0.1 C[C@H](O)CN AM81450 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.1 FC(F)CCl AMY6873 [1,0,0,0,0,0|3,0,0]=4 70 B4R0.1 FC(F)CI AMY20040 [1,0,0,0,0,0|3,0,0]=4 71 B4R0.1 F[C@@H](Br)CBr AMY6863 [1,0,0,0,0,0|3,0,0]=4 72 B4R0.1 NCC(F)F AMY7132 [1,0,0,0,0,0|3,0,0]=4 73 B4R0.1 O=CC(=O)O AMY40947 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.1 OCC(F)F AMY3957 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.1 [Li]CC(C)C AMY14929 [1,0,0,0,0,0|1,0,0]=2 76 B4R0.1 [Li][C@@H](C)CC AMY14890 [1,0,0,0,0,0|1,0,1]=3 77 B4R0.2 BrCCCBr AMY25527 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.2 C#CCCBr AMY1272 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.2 C#CCOC AMY1246 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.2 C#COCC AMY33551 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.2 C=CCCCl AMY11185 [1,0,0,0,0,0|2,0,0]=3 82 B4R0.2 C=CCCO AMY14291 [1,0,0,0,0,0|2,0,0]=3 83 B4R0.2 C=CCNC AMY13350 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.2 C=CCNN AM806419 [1,0,0,0,0,0|3,0,0]=4 85 B4R0.2 C=CCOC AM20100534 [1,0,0,0,0,0|2,0,0]=3 86 B4R0.2 C=CCON AM90375 [1,0,0,0,0,0|3,0,0]=4 87 B4R0.2 CCCCN AMY21914 [1,0,0,0,0,0|1,0,1]=3 88 B4R0.2 CCCNN AM9771 [1,0,0,0,0,0|2,0,0]=3 89 B4R0.2 CCNCC AMY25752 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.2 CCPCC AMY11725 [1,0,0,0,0,0|2,0,1]=4 91 B4R0.2 CC\C=C\Br AMY796 [1,0,0,0,0,0|1,0,1]=3 92 B4R0.2 CNCC#N AM20090317 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.2 CNCCCl AM803928 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.2 CNCCF AMY202003232 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.2 CNCCO AMY32697 [1,0,0,0,0,0|1,0,2]=4 96 B4R0.2 COCCCl AMY25739 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.2 COCCN AM808206 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.2 CSCCCl AMY15533 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.2 CSCCN AMY33509 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.2 CSCCO AMY19250 [1,0,0,0,0,0|1,0,2]=4 101 B4R0.2 C\C=C\CCl AMY618 [1,0,0,0,0,0|2,0,1]=4 102 B4R0.2 C\C=C\CO AMY21936 [1,0,0,0,0,0|2,0,1]=4 103 B4R0.2 ClCCCBr AMY40180 [1,0,0,0,0,0|2,0,1]=4 104 B4R0.2 ClCCCCl AMY22013 [1,0,0,0,0,0|2,0,1]=4 105 B4R0.2 ClCCCI AMY25762 [1,0,0,0,0,0|2,0,1]=4 106 B4R0.2 FCCCBr AMY28674 [1,0,0,0,0,0|2,0,1]=4 107 B4R0.2 N#CCCCl AMY21819 [1,0,0,0,0,0|2,0,1]=4 108 B4R0.2 NCCCBr AM20100225 [1,0,0,0,0,0|2,0,1]=4 109 B4R0.2 NCCCN AMY21886 [1,0,0,0,0,0|2,0,1]=4 110 B4R0.2 NCCON AMY10143 [1,0,0,0,0,0|3,0,0]=4 111 B4R0.2 NNCCO AM20080045 [1,0,0,0,0,0|3,0,0]=4 112 B4R0.2 OCCCBr AM20100533 [1,0,0,0,0,0|1,0,2]=4 113 B4R0.2 OCCCCl AMY9478 [1,0,0,0,0,0|1,0,2]=4 114 B4R0.2 OCCCF AM1014 [1,0,0,0,0,0|1,0,2]=4 115 B4R0.2 SCCCBr AM806637 [1,0,0,0,0,0|1,1,1]=4 116 B4R0.2 [Li]CCCC AMY14790 [1,0,0,0,0,0|1,0,1]=3 117 B6R0.1 BrCC[C@H](Br)CBr AMY18008 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.1 C[C@@H](CO)CCO AMY37668 [0,1,0,0,0,0|0,0,2]=3 119 B6R0.1 C[C@H](CN)CCN AMY1782 [0,1,0,0,0,0|1,0,1]=3 120 B6R0.1 C[C@H](CO)CCO AMY37676 [0,1,0,0,0,0|0,0,2]=3 121 B6R0.1 N#CC[C@H](O)CCl AM81472 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.1 N#CC[C@H](O)CCl AM81473 [0,1,0,0,0,0|2,0,1]=4 123 B6R0.1 OCC[C@H](O)CO AMY14876 [0,1,0,0,0,0|1,0,2]=4 124 B6R0.1 OCC[C@H](O)CO AMY6061 [0,1,0,0,0,0|1,0,2]=4 125 B6R0.2 CC(=O)C=C(C)C AMY23356 [0,1,0,0,0,0|0,0,2]=3 126 B6R0.2 CC(=O)CC(C)C AMY11098 [0,1,0,0,0,0|0,0,0]=1 127 B6R0.2 CC(=O)NC(C)C AMY3785 [0,1,0,0,0,0|1,0,0]=2 128 B6R0.2 CC(=O)\C=C(\C)N AMY24718 [0,1,0,0,0,0|1,0,2]=4 129 B6R0.2 CC(=O)\C=C(\C)[O-] AMY11696 [0,1,0,0,0,0|1,0,2]=4 130 B6R0.2 CC(=O)\C=C(\C)[O-] AMY19683 [0,1,0,0,0,0|1,0,2]=4 131 B6R0.2 CC(=O)\C=C(\C)[O-] AMY41912 [0,1,0,0,0,0|1,0,2]=4 132 B6R0.2 CC(C)CB(O)O AM80872 [0,1,0,0,0,0|1,0,1]=3 133 B6R0.2 CC(C)CC(=O)O AMY40214 [0,1,0,0,0,0|0,0,0]=1 134 B6R0.2 CC(C)C[C@H](C)N AMY36830 [0,1,0,0,0,0|1,0,1]=3 135 B6R0.2 CC(C)NC(C)C AMY8971 [0,1,0,0,0,0|2,0,1]=4 136 B6R0.2 CC(C)OC(=O)Cl AMY3776 [0,1,0,0,0,0|1,0,0]=2 137 B6R0.2 CC(O)CC(=O)[O-] AMY10051 [0,1,0,0,0,0|1,0,0]=2 138 B6R0.2 CC(O)CC(=O)[O-] AMY10054 [0,1,0,0,0,0|1,0,0]=2 139 B6R0.2 CN(C)CC(=O)O AM20080064 [0,1,0,0,0,0|1,0,0]=2 140 B6R0.2 CN(C)CC(=O)O AM81799 [0,1,0,0,0,0|1,0,0]=2 141 B6R0.2 CN(C)CC(=O)[O-] AMY42162 [0,1,0,0,0,0|1,0,0]=2 142 B6R0.2 CN(C)CC(=O)[O-] AMY42163 [0,1,0,0,0,0|1,0,0]=2 143 B6R0.2 C[C@@H](O)CC(=O)O AMY24176 [0,1,0,0,0,0|1,0,0]=2 144 B6R0.2 C[C@@H](O)CN(C)C AMY16641 [0,1,0,0,0,0|1,0,2]=4 145 B6R0.2 C[C@H](Cl)CN(C)C AM90213 [0,1,0,0,0,0|2,0,1]=4 146 B6R0.2 C[C@H](N)CC(=O)O AM20100008 [0,1,0,0,0,0|1,0,0]=2 147 B6R0.2 C[C@H](N)CC(=O)O AM20100009 [0,1,0,0,0,0|1,0,0]=2 148 B6R0.2 C[C@H](N)CC(=O)O AM20100428 [0,1,0,0,0,0|1,0,0]=2 149 B6R0.2 C[C@H](N)CC(=O)O AM804090 [0,1,0,0,0,0|1,0,0]=2 150 B6R0.2 C[C@H](O)CC(=O)O AMY10050 [0,1,0,0,0,0|1,0,0]=2 151 B6R0.2 C[C@H](O)CC(=O)O AMY24175 [0,1,0,0,0,0|1,0,0]=2 152 B6R0.2 C[C@H](O)CC(=O)[O-] AM86469 [0,1,0,0,0,0|1,0,0]=2 153 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10052 [0,1,0,0,0,0|1,0,0]=2 154 B6R0.2 C[C@H](O)CC(=O)[O-] AMY10055 [0,1,0,0,0,0|1,0,0]=2 155 B6R0.2 C[C@H](O)CN(C)C AMY13331 [0,1,0,0,0,0|1,0,2]=4 156 B6R0.2 C[S+](C)CC(=O)[O-] AM90363 [0,1,0,0,0,0|1,0,0]=2 157 B6R0.2 NC(=O)C[N+](=O)[O-] AM86587 [0,1,0,0,0,0|3,0,0]=4 158 B6R0.2 O=C(Cl)CC(=O)Cl AM10012 [0,1,0,0,0,0|2,0,1]=4 159 B6R0.2 O=C(O)CC(=O)O AMY11201 [0,1,0,0,0,0|2,0,1]=4 160 B6R0.2 O=C(O)CC(F)F AMY6157 [0,1,0,0,0,0|2,0,0]=3 161 B6R0.3 C=CC(=O)N(C)C AM84856 [0,1,0,0,0,0|2,0,1]=4 162 B6R0.3 CC(=O)[C@@H](C)C=O AMY6397 [0,1,0,0,0,0|1,0,1]=3 163 B6R0.3 CC(C)C(=N)NO AM803769 [0,1,0,0,0,0|1,0,2]=4 164 B6R0.3 CC(C)C(=O)NN AMY3958 [0,1,0,0,0,0|2,0,1]=4 165 B6R0.3 CC(C)[C@@H](C)CO AMY19225 [0,1,0,0,0,0|0,0,2]=3 166 B6R0.3 CC(C)[C@@H](N)CO AM20080457 [0,1,0,0,0,0|0,0,2]=3 167 B6R0.3 CC(C)[C@@H](N)CO AM20090150 [0,1,0,0,0,0|0,0,2]=3 168 B6R0.3 CC(C)[C@@H](N)CO AM20100129 [0,1,0,0,0,0|0,0,2]=3 169 B6R0.3 CC(C)[C@H](N)C#N AMY32625 [0,1,0,0,0,0|1,0,1]=3 170 B6R0.3 CC(C)\C(Cl)=N\O AMY37414 [0,1,0,0,0,0|1,0,2]=4 171 B6R0.3 CN[C@@H](C)C(C)C AMY37353 [0,1,0,0,0,0|2,0,0]=3 172 B6R0.3 C[C@@H](O)[C@H](N)CO AMY22530 [0,1,0,0,0,0|1,0,2]=4 173 B6R0.4 C=CCCC(C)=O AM84335 [0,1,0,0,0,0|2,0,1]=4 174 B6R0.4 C=CCOC(C)=O AMY22115 [0,1,0,0,0,0|2,0,1]=4 175 B6R0.4 CC(C)CCCO AMY39142 [0,1,0,0,0,0|0,0,2]=3 176 B6R0.4 CC(C)CON=O AMY4012 [0,1,0,0,0,0|1,0,0]=2 177 B6R0.4 CC(C)NCCCl AMY31121 [0,1,0,0,0,0|1,0,1]=3 178 B6R0.4 CC(C)OCCBr AM80879 [0,1,0,0,0,0|1,0,1]=3 179 B6R0.4 CCCCN(C)C AMY25818 [0,1,0,0,0,0|2,0,1]=4 180 B6R0.4 CN(C)CCCCl AM84336 [0,1,0,0,0,0|2,0,1]=4 181 B6R0.4 CN(C)CCCCl AM90218 [0,1,0,0,0,0|2,0,1]=4 182 B6R0.4 CN(C)CCON AMY27281 [0,1,0,0,0,0|1,0,2]=4 183 B6R0.4 CN(C)\C=C\C=O AM20120332 [0,1,0,0,0,0|1,0,1]=3 184 B6R0.4 CNCCC(C)C AMY37348 [0,1,0,0,0,0|1,0,1]=3 185 B6R0.4 CNCCC(C)C AMY37370 [0,1,0,0,0,0|1,0,1]=3 186 B6R0.4 CNCCN(C)C AMY10373 [0,1,0,0,0,0|2,0,1]=4 187 B6R0.4 C[C@H](Br)CCCBr AMY2526 [0,1,0,0,0,0|2,0,1]=4 188 B6R0.5 C#CCC(C)(C)O AM806691 [0,1,0,0,0,0|1,0,1]=3 189 B6R0.5 C#CC[Si](C)(C)C AMY6982 [0,1,0,0,0,0|1,1,1]=4 190 B6R0.5 C=CC[Si](C)(C)C AMY7007 [0,1,0,0,0,0|1,1,0]=3 191 B6R0.5 C=CC[Si](C)(C)Cl AMY19831 [0,1,0,0,0,0|1,1,0]=3 192 B6R0.5 CC(C)(C)CC=O AM20090398 [0,1,0,0,0,0|0,0,0]=1 193 B6R0.5 CC(C)(C)CCO AM20100528 [0,1,0,0,0,0|0,0,2]=3 194 B6R0.5 CC(C)(C)N=C=S AMY23377 [0,1,0,0,0,0|1,1,1]=4 195 B6R0.5 CC(C)(C)ON=O AMY4009 [0,1,0,0,0,0|2,0,0]=3 196 B6R0.5 CC(C)(N)CCO AMY117 [0,1,0,0,0,0|0,0,2]=3 197 B6R0.5 CC(C)(O)CCN AMY42489 [0,1,0,0,0,0|1,0,1]=3 198 B6R0.5 CNCC(C)(C)O AM807013 [0,1,0,0,0,0|2,0,0]=3 199 B6R0.5 COCC(C)(C)O AMY9274 [0,1,0,0,0,0|2,0,0]=3 200 B6R0.5 C[N+](C)(C)CCO AMY13894 [0,1,0,0,0,0|1,0,2]=4 201 B6R0.5 C[N+](C)(C)CCO AMY13898 [0,1,0,0,0,0|1,0,2]=4 202 B6R0.5 C[Si](C)(C)CCO AMY28668 [0,1,0,0,0,0|0,1,2]=4 203 B6R0.5 C[Si](C)(C)\C=C\Br AMY1268 [0,1,0,0,0,0|1,1,1]=4 204 B6R1.2 BrC1CCCC1 AM20080273 [0,0,0,1,0,0|2,0,1]=4 205 B6R1.2 Br[C@H]1CCNC1 AM101739 [0,0,0,1,0,0|2,0,1]=4 206 B6R1.2 Br[C@H]1CCNC1 AM101740 [0,0,0,1,0,0|2,0,1]=4 207 B6R1.2 Br[C@H]1CCNC1 AM101781 [0,0,0,1,0,0|2,0,1]=4 208 B6R1.2 Br[C@H]1CCNC1 AM91615 [0,0,0,1,0,0|2,0,1]=4 209 B6R1.2 Br[C@H]1CCNC1 AM96305 [0,0,0,1,0,0|2,0,1]=4 210 B6R1.2 Br[C@H]1CCNC1 AM96372 [0,0,0,1,0,0|2,0,1]=4 211 B6R1.2 Br[C@H]1CCOC1 AM20090126 [0,0,0,1,0,0|1,0,2]=4 212 B6R1.2 CC1CCCC1 AMY21930 [0,0,0,1,0,0|1,0,1]=3 213 B6R1.2 CN1CCCC1 AMY25542 [0,0,0,1,0,0|2,0,1]=4 214 B6R1.2 C[C@@H]1CCNC1 AMY37511 [0,0,0,1,0,0|1,0,1]=3 215 B6R1.2 C[C@H]1CCCN1 AM20080260 [0,0,0,1,0,0|2,0,1]=4 216 B6R1.2 C[C@H]1CCCN1 AM20090040 [0,0,0,1,0,0|2,0,1]=4 217 B6R1.2 C[C@H]1CCCN1 AM20100102 [0,0,0,1,0,0|2,0,1]=4 218 B6R1.2 C[C@H]1CCCN1 AM20100445 [0,0,0,1,0,0|2,0,1]=4 219 B6R1.2 C[C@H]1CCCN1 AM20100751 [0,0,0,1,0,0|2,0,1]=4 220 B6R1.2 C[C@H]1CCCO1 AM81816 [0,0,0,1,0,0|2,0,1]=4 221 B6R1.2 C[C@H]1CCNC1 AM803039 [0,0,0,1,0,0|1,0,1]=3 222 B6R1.2 C[C@H]1CCNC1 AM803735 [0,0,0,1,0,0|1,0,1]=3 223 B6R1.2 C[C@H]1CCNC1 AMY37562 [0,0,0,1,0,0|1,0,1]=3 224 B6R1.2 ClC1CCCC1 AMY22306 [0,0,0,1,0,0|2,0,1]=4 225 B6R1.2 Cl[C@H]1CCNC1 AM90551 [0,0,0,1,0,0|2,0,1]=4 226 B6R1.2 Cl[C@H]1CCNC1 AM90553 [0,0,0,1,0,0|2,0,1]=4 227 B6R1.2 Cl[C@H]1CCNC1 AM90576 [0,0,0,1,0,0|2,0,1]=4 228 B6R1.2 Cl[C@H]1CCNC1 AM90577 [0,0,0,1,0,0|2,0,1]=4 229 B6R1.2 Cl[C@H]1CCNC1 AM91617 [0,0,0,1,0,0|2,0,1]=4 230 B6R1.2 Cl[C@H]1CCNC1 AM96290 [0,0,0,1,0,0|2,0,1]=4 231 B6R1.2 Cl[C@H]1CCOC1 AM100455 [0,0,0,1,0,0|1,0,2]=4 232 B6R1.2 F[C@H]1CCNC1 AM20080115 [0,0,0,1,0,0|2,0,1]=4 233 B6R1.2 F[C@H]1CCNC1 AM20080270 [0,0,0,1,0,0|2,0,1]=4 234 B6R1.2 F[C@H]1CCNC1 AM20080271 [0,0,0,1,0,0|2,0,1]=4 235 B6R1.2 F[C@H]1CCNC1 AM20090020 [0,0,0,1,0,0|2,0,1]=4 236 B6R1.2 F[C@H]1CCNC1 AMY41754 [0,0,0,1,0,0|2,0,1]=4 237 B6R1.2 IC1CCCC1 AMY3844 [0,0,0,1,0,0|2,0,1]=4 238 B6R1.2 I[C@H]1CCNC1 AM91594 [0,0,0,1,0,0|2,0,1]=4 239 B6R1.2 I[C@H]1CCNC1 AM91619 [0,0,0,1,0,0|2,0,1]=4 240 B6R1.2 I[C@H]1CCNC1 AM91621 [0,0,0,1,0,0|2,0,1]=4 241 B6R1.2 I[C@H]1CCNC1 AM92136 [0,0,0,1,0,0|2,0,1]=4 242 B6R1.2 I[C@H]1CCNC1 AM95453 [0,0,0,1,0,0|2,0,1]=4 243 B6R1.2 I[C@H]1CCNC1 AM96429 [0,0,0,1,0,0|2,0,1]=4 244 B6R1.2 I[C@H]1CCOC1 AM20080159 [0,0,0,1,0,0|1,0,2]=4 245 B6R1.2 NC1CC=CC1 AM20120323 [0,0,0,1,0,0|2,0,0]=3 246 B6R1.2 NC1CCCC1 AMY3757 [0,0,0,1,0,0|2,0,1]=4 247 B6R1.2 N[C@H]1CCNC1 AM81992 [0,0,0,1,0,0|2,0,1]=4 248 B6R1.2 N[C@H]1CCNC1 AM81993 [0,0,0,1,0,0|2,0,1]=4 249 B6R1.2 N[C@H]1CCNC1 AM85320 [0,0,0,1,0,0|2,0,1]=4 250 B6R1.2 N[C@H]1CCOC1 AM20080063 [0,0,0,1,0,0|1,0,2]=4 251 B6R1.2 N[C@H]1CCOC1 AM20120276 [0,0,0,1,0,0|1,0,2]=4 252 B6R1.2 N[C@H]1CCOC1 AM62692 [0,0,0,1,0,0|1,0,2]=4 253 B6R1.2 N[C@H]1CCOC1 AMY4352 [0,0,0,1,0,0|1,0,2]=4 254 B6R1.2 N[C@H]1CCOC1 AMY5964 [0,0,0,1,0,0|1,0,2]=4 255 B6R1.2 OC1CC=CC1 AMY9178 [0,0,0,1,0,0|2,0,0]=3 256 B6R1.2 OC1CCCC1 AMY3616 [0,0,0,1,0,0|2,0,1]=4 257 B6R1.2 O[C@H]1CCNC1 AM20070695 [0,0,0,1,0,0|2,0,1]=4 258 B6R1.2 O[C@H]1CCNC1 AM20080166 [0,0,0,1,0,0|2,0,1]=4 259 B6R1.2 O[C@H]1CCNC1 AM20090354 [0,0,0,1,0,0|2,0,1]=4 260 B6R1.2 O[C@H]1CCNC1 AM20100082 [0,0,0,1,0,0|2,0,1]=4 261 B6R1.2 O[C@H]1CCNC1 AM90404 [0,0,0,1,0,0|2,0,1]=4 262 B6R1.2 O[C@H]1CCOC1 AM20100156 [0,0,0,1,0,0|1,0,2]=4 263 B6R1.2 O[C@H]1CCOC1 AM20110236 [0,0,0,1,0,0|1,0,2]=4 264 B6R1.2 O[C@H]1CCOC1 AM20110237 [0,0,0,1,0,0|1,0,2]=4 265 B6R1.2 O[C@H]1CCSC1 AM20090505 [0,0,0,1,0,0|1,1,1]=4 266 B6R1.2 S[C@H]1CCOC1 AM101772 [0,0,0,1,0,0|1,0,2]=4 267 B6R1.3 BrCCC1CC1 AMY202003230 [0,0,0,1,0,0|1,0,1]=3 268 B6R1.3 BrCC[C@H]1CO1 AMY20094 [0,0,0,1,0,0|2,0,1]=4 269 B6R1.3 CNCC1CC1 AM803431 [0,0,0,1,0,0|2,0,0]=3 270 B6R1.3 CNCC1CC1 AMY34463 [0,0,0,1,0,0|2,0,0]=3 271 B6R1.3 COC[C@H]1CO1 AM20120337 [0,0,0,1,0,0|3,0,0]=4 272 B6R1.3 ICCC1CC1 AMY34362 [0,0,0,1,0,0|1,0,1]=3 273 B6R1.3 N#CCC1CC1 AM20100595 [0,0,0,1,0,0|1,0,1]=3 274 B6R1.3 NCCC1CC1 AMY39140 [0,0,0,1,0,0|1,0,1]=3 275 B6R1.3 NCCC1CC1 AMY4139 [0,0,0,1,0,0|1,0,1]=3 276 B6R1.3 NNCC1CC1 AM10018 [0,0,0,1,0,0|2,0,0]=3 277 B6R1.3 NNCC1CC1 AMY16104 [0,0,0,1,0,0|2,0,0]=3 278 B6R1.3 NOCC1CC1 AM90383 [0,0,0,1,0,0|2,0,0]=3 279 B6R1.3 O=CNC1CC1 AM804092 [0,0,0,1,0,0|1,0,0]=2 280 B6R1.3 OCCC1CC1 AMY3915 [0,0,0,1,0,0|0,0,2]=3 281 B6R1.3 S=C=NC1CC1 AM20080903 [0,0,0,1,0,0|1,1,1]=4 282 B6R1.5 C=C1CC(N)C1 AM84287 [0,0,0,1,0,0|2,0,0]=3 283 B6R1.5 C=C1CC(N)C1 AM84288 [0,0,0,1,0,0|2,0,0]=3 284 B6R1.5 CC1CC(=O)C1 AM806996 [0,0,0,1,0,0|0,0,0]=1 285 B6R1.5 CN1CC(N)C1 AMY4272 [0,0,0,1,0,0|2,0,1]=4 286 B6R1.5 CN1CC(O)C1 AM802928 [0,0,0,1,0,0|1,0,2]=4 287 B6R1.5 CN1CC(O)C1 AMY9067 [0,0,0,1,0,0|1,0,2]=4 288 B6R1.5 NC1CC(=O)C1 AM20070559 [0,0,0,1,0,0|1,0,0]=2 289 B6R1.5 NC1CC(F)C1 AMY6159 [0,0,0,1,0,0|2,0,1]=4 290 B6R1.5 NC1CC(N)C1 AM85963 [0,0,0,1,0,0|2,0,1]=4 291 B6R1.5 NC1CC(O)C1 AM20070560 [0,0,0,1,0,0|1,0,2]=4 292 B6R1.5 NC1CC(O)C1 AM20070615 [0,0,0,1,0,0|1,0,2]=4 293 B6R1.5 N[C@H]1C[C@@H](F)C1 AMY34065 [0,0,0,1,0,0|2,0,1]=4 294 B6R1.5 N[C@H]1C[C@@H](N)C1 AMY34052 [0,0,0,1,0,0|2,0,1]=4 295 B6R1.5 N[C@H]1C[C@@H](O)C1 AM807002 [0,0,0,1,0,0|1,0,2]=4 296 B6R1.5 N[C@H]1C[C@H](F)C1 AMY34300 [0,0,0,1,0,0|2,0,1]=4 297 B6R1.5 N[C@H]1C[C@H](O)C1 AM807001 [0,0,0,1,0,0|1,0,2]=4 298 B6R1.5 N[C@H]1C[C@H](O)C1 AMY11818 [0,0,0,1,0,0|1,0,2]=4 299 B6R1.5 O=C1CC(O)C1 AMY33736 [0,0,0,1,0,0|1,0,0]=2 300 B6R1.5 OC1CC(F)C1 AMY33730 [0,0,0,1,0,0|1,0,2]=4 301 B6R1.5 O[C@H]1C[C@H](F)C1 AMY34301 [0,0,0,1,0,0|1,0,2]=4 302 B6R1.8 CC1CC1CN AM806562 [0,0,0,1,0,0|1,0,1]=3 303 B6R1.8 CC1CC1CO AM804126 [0,0,0,1,0,0|0,0,2]=3 304 B6R1.8 OC[C@@H]1C[C@@H]1F AMY5785 [0,0,0,1,0,0|1,0,2]=4 305 B6R1.10 CC1(C)CNC1 AMY14184 [0,0,0,1,0,0|2,0,0]=3 306 B6R1.10 CC1(C)COC1 AM20020043 [0,0,0,1,0,0|2,0,0]=3 307 B6R1.10 CC1(N)CCC1 AM808140 [0,0,0,1,0,0|2,0,1]=4 308 B6R1.10 CC1(N)CCC1 AMY1785 [0,0,0,1,0,0|2,0,1]=4 309 B6R1.10 CC1(N)COC1 AM20020051 [0,0,0,1,0,0|3,0,0]=4 310 B6R1.10 CC1(O)CNC1 AM81138 [0,0,0,1,0,0|3,0,0]=4 311 B6R1.10 CC1(O)COC1 AMY33735 [0,0,0,1,0,0|3,0,0]=4 312 B6R1.11 C[C@H](N)C1CC1 AM804149 [0,0,0,1,0,0|2,0,1]=4 313 B6R1.11 C[C@H](N)C1CC1 AM806511 [0,0,0,1,0,0|2,0,1]=4 314 B6R1.11 C[C@H](O)C1CC1 AM804334 [0,0,0,1,0,0|2,0,1]=4 315 B3R0.1 BrCCBr AMY25519 [2,0,0,0,0,0|2,0,0]=4 316 B3R0.1 C=CCN AMY22118 [2,0,0,0,0,0|1,0,1]=4 317 B3R0.1 CCCO AMY11110 [2,0,0,0,0,0|0,0,1]=3 318 B3R0.1 CCNN AM10026 [2,0,0,0,0,0|2,0,0]=4 319 B3R0.1 CCNN AMY202003286 [2,0,0,0,0,0|2,0,0]=4 320 B3R0.1 CCON AM90373 [2,0,0,0,0,0|2,0,0]=4 321 B3R0.1 C\C=C\Br AMY19968 [2,0,0,0,0,0|1,0,1]=4 322 B3R0.1 ClCCBr AMY25520 [2,0,0,0,0,0|2,0,0]=4 323 B3R0.1 ClCCCl AMY33455 [2,0,0,0,0,0|2,0,0]=4 324 B3R0.1 FCCBr AMY39418 [2,0,0,0,0,0|2,0,0]=4 325 B3R0.1 FCCI AM20100746 [2,0,0,0,0,0|2,0,0]=4 326 B3R0.1 NCCBr AM20090316 [2,0,0,0,0,0|2,0,0]=4 327 B3R0.1 NCCCl AMY3602 [2,0,0,0,0,0|2,0,0]=4 328 B3R0.1 NCCF AM20100176 [2,0,0,0,0,0|2,0,0]=4 329 B3R0.1 NCCS AMY202100105 [2,0,0,0,0,0|1,1,0]=4 330 B3R0.1 NNC=O AM9981 [2,0,0,0,0,0|2,0,0]=4 331 B3R0.1 OCCBr AMY39504 [2,0,0,0,0,0|1,0,1]=4 332 B3R0.1 OCCF AMY25659 [2,0,0,0,0,0|1,0,1]=4 333 B3R0.1 OCCO AMY22336 [2,0,0,0,0,0|1,0,1]=4 334 B3R0.2 C=C(C)Br AMY955 [2,0,0,0,0,0|1,0,1]=4 335 B3R0.2 C=C(C)[Mg+] AMY1042 [2,0,0,0,0,0|1,0,1]=4 336 B3R0.2 CC(=O)Br AMY21856 [2,0,0,0,0,0|1,0,1]=4 337 B3R0.2 CC(=O)O AMY21906 [2,0,0,0,0,0|1,0,1]=4 338 B3R0.2 CC(=O)O AMY41276 [2,0,0,0,0,0|1,0,1]=4 339 B3R0.2 CC(=O)[O-] AMY11747 [2,0,0,0,0,0|1,0,1]=4 340 B3R0.2 CC(=O)[O-] AMY1789 [2,0,0,0,0,0|1,0,1]=4 341 B3R0.2 CC(=O)[O-] AMY22485 [2,0,0,0,0,0|1,0,1]=4 342 B3R0.2 CC(=O)[O-] AMY22494 [2,0,0,0,0,0|1,0,1]=4 343 B3R0.2 CC(=O)[O-] AMY23396 [2,0,0,0,0,0|1,0,1]=4 344 B3R0.2 CC(=O)[O-] AMY23411 [2,0,0,0,0,0|1,0,1]=4 345 B3R0.2 CC(=O)[O-] AMY37172 [2,0,0,0,0,0|1,0,1]=4 346 B3R0.2 CC(=O)[O-] AMY9236 [2,0,0,0,0,0|1,0,1]=4 347 B3R0.2 CC(C)Br AMY37129 [2,0,0,0,0,0|1,0,0]=3 348 B3R0.2 CC(C)O AMY11029 [2,0,0,0,0,0|0,0,1]=3 349 B3R0.2 CC(C)[Mg+] AMY40195 [2,0,0,0,0,0|1,0,0]=3 350 B3R0.2 CC(C)[O-] AMY38606 [2,0,0,0,0,0|0,0,1]=3 351 B3R0.2 CC(C)[O-] AMY40472 [2,0,0,0,0,0|0,0,1]=3 352 B3R0.2 CP(C)C AMY19776 [2,0,0,0,0,0|1,0,0]=3 353 B3R0.2 CS(C)=O AMY14894 [2,0,0,0,0,0|1,0,0]=3 354 B3R0.2 C[PH](C)=O AM90266 [2,0,0,0,0,0|1,0,0]=3 355 B3R0.2 C[S+](C)C AMY12539 [2,0,0,0,0,0|1,0,0]=3 356 B3R0.2 C[S+](C)C AMY9344 [2,0,0,0,0,0|1,0,0]=3 357 B3R0.2 C[SiH](C)C AMY21899 [2,0,0,0,0,0|0,1,0]=3 358 B5R0.3 C=C[C@@H](O)CC AMY851 [1,1,0,0,0,0|1,0,1]=4 359 B5R0.3 C=C[C@H](N)CO AMY14650 [1,1,0,0,0,0|1,0,1]=4 360 B5R0.3 CC(CBr)CBr AMY21213 [1,1,0,0,0,0|1,0,0]=3 361 B5R0.3 CC(CI)CI AMY32062 [1,1,0,0,0,0|1,0,0]=3 362 B5R0.3 CCC(N)CC AMY4054 [1,1,0,0,0,0|1,0,1]=4 363 B5R0.3 CCN(C)CC AMY13336 [1,1,0,0,0,0|1,0,1]=4 364 B5R0.3 CC[C@@H](N)CO AM85835 [1,1,0,0,0,0|1,0,1]=4 365 B5R0.3 CC[C@@H](O)CN AMY6653 [1,1,0,0,0,0|1,0,1]=4 366 B5R0.3 CC[C@@H](O)CO AMY40578 [1,1,0,0,0,0|1,0,1]=4 367 B5R0.3 CC[C@H](Br)CBr AMY31902 [1,1,0,0,0,0|1,0,1]=4 368 B5R0.3 CC[C@H](C)CBr AMY28688 [1,1,0,0,0,0|0,0,1]=3 369 B5R0.3 CC[C@H](C)NN AM803011 [1,1,0,0,0,0|1,0,1]=4 370 B5R0.3 CC[C@H](C)NN AM9772 [1,1,0,0,0,0|1,0,1]=4 371 B5R0.3 CC[C@H](N)CO AM85834 [1,1,0,0,0,0|1,0,1]=4 372 B5R0.3 CC[C@H](N)CO AM85988 [1,1,0,0,0,0|1,0,1]=4 373 B5R0.3 CC[C@H](O)CO AMY40584 [1,1,0,0,0,0|1,0,1]=4 374 B5R0.3 CN(C=O)C=O AMY39203 [1,1,0,0,0,0|1,0,1]=4 375 B5R0.3 COC(=O)C=O AMY1633 [1,1,0,0,0,0|1,0,1]=4 376 B5R0.3 CO[C@@H](C)CN AMY21775 [1,1,0,0,0,0|1,0,0]=3 377 B5R0.3 C[C@@H](CO)CBr AMY14347 [1,1,0,0,0,0|0,0,1]=3 378 B5R0.3 ClCC(Cl)CCl AMY22833 [1,1,0,0,0,0|2,0,0]=4 379 B5R0.3 NC(CO)CO AM20100310 [1,1,0,0,0,0|1,0,1]=4 380 B5R0.3 NCC(O)CN AM20100500 [1,1,0,0,0,0|2,0,0]=4 381 B5R0.3 NC[C@H](F)CO AMY34391 [1,1,0,0,0,0|1,0,1]=4 382 B5R0.3 NC[C@H](O)CCl AMY31075 [1,1,0,0,0,0|2,0,0]=4 383 B5R0.3 NC[C@H](O)CO AM20100501 [1,1,0,0,0,0|1,0,1]=4 384 B5R0.3 NC[C@H](O)CO AM20100602 [1,1,0,0,0,0|1,0,1]=4 385 B5R0.3 NC[C@H](O)CO AMY18546 [1,1,0,0,0,0|1,0,1]=4 386 B5R0.3 O=CC(Br)C=O AM20090162 [1,1,0,0,0,0|1,0,1]=4 387 B5R0.3 OC[C@H](Br)CBr AMY25826 [1,1,0,0,0,0|1,0,1]=4 388 B5R0.3 OC[C@H](O)CCl AM81448 [1,1,0,0,0,0|1,0,1]=4 389 B5R0.3 OC[C@H](O)CCl AM81449 [1,1,0,0,0,0|1,0,1]=4 390 B5R0.3 OC[C@H](O)CCl AMY21866 [1,1,0,0,0,0|1,0,1]=4 391 B5R0.4 C#CC(C)(C)Cl AMY19182 [1,1,0,0,0,0|0,0,2]=4 392 B5R0.4 C#CC(C)(C)F AMY30164 [1,1,0,0,0,0|0,0,2]=4 393 B5R0.4 C#CC(C)(C)N AMY19729 [1,1,0,0,0,0|0,0,2]=4 394 B5R0.4 C#CC(C)(C)O AMY3792 [1,1,0,0,0,0|0,0,2]=4 395 B5R0.4 C=CC(C)(C)O AMY3791 [1,1,0,0,0,0|0,0,1]=3 396 B5R0.4 C=C[Si](C)(C)C AMY1250 [1,1,0,0,0,0|0,1,1]=4 397 B5R0.4 CC(C)(C)C=O AMY14201 [1,1,0,0,0,0|0,0,0]=2 398 B5R0.4 CC(C)(C)CBr AMY020 [1,1,0,0,0,0|1,0,0]=3 399 B5R0.4 CC(C)(C)CCl AMY1168 [1,1,0,0,0,0|1,0,0]=3 400 B5R0.4 CC(C)(C)CI AMY25581 [1,1,0,0,0,0|1,0,0]=3 401 B5R0.4 CC(C)(C)CN AMY5183 [1,1,0,0,0,0|1,0,0]=3 402 B5R0.4 CC(C)(C)CO AMY18878 [1,1,0,0,0,0|0,0,1]=3 403 B5R0.4 CC(C)(C)NN AMY4095 [1,1,0,0,0,0|2,0,0]=4 404 B5R0.4 CC(C)(N)C#N AM20090129 [1,1,0,0,0,0|1,0,1]=4 405 B5R0.4 CC(C)(N)CN AMY14283 [1,1,0,0,0,0|1,0,0]=3 406 B5R0.4 CC(C)(N)CO AMY25550 [1,1,0,0,0,0|0,0,1]=3 407 B5R0.4 CC(C)(O)CCl AMY10400 [1,1,0,0,0,0|1,0,0]=3 408 B5R0.4 CC(C)(O)CN AM20090364 [1,1,0,0,0,0|1,0,0]=3 409 B5R0.4 CC(F)(F)CCl AMY6016 [1,1,0,0,0,0|2,0,0]=4 410 B5R0.4 CC(F)(F)CN AMY1251 [1,1,0,0,0,0|2,0,0]=4 411 B5R0.4 CC(F)(F)CO AMY1243 [1,1,0,0,0,0|1,0,1]=4 412 B5R0.4 CCC(C)(C)O AMY11089 [1,1,0,0,0,0|0,0,1]=3 413 B5R0.4 CCC(C)(C)[O-] AMY33539 [1,1,0,0,0,0|0,0,1]=3 414 B5R0.4 COC(C)(C)C AMY11032 [1,1,0,0,0,0|1,0,1]=4 415 B5R0.4 CP(C)(=O)CCl AM10868 [1,1,0,0,0,0|2,0,0]=4 416 B5R0.4 CP(C)(=O)CO AM10876 [1,1,0,0,0,0|1,0,1]=4 417 B5R0.4 C[Si](C)(C)CBr AMY42229 [1,1,0,0,0,0|1,1,0]=4 418 B5R0.4 C[Si](C)(C)CCl AMY39317 [1,1,0,0,0,0|1,1,0]=4 419 B5R0.4 C[Si](C)(C)CI AMY42187 [1,1,0,0,0,0|1,1,0]=4 420 B5R0.4 C[Si](C)(C)CO AMY36454 [1,1,0,0,0,0|0,1,1]=4 421 B5R0.4 O=CC(F)(F)F AMY7125 [1,1,0,0,0,0|2,0,0]=4 422 B5R0.4 [Li]C[Si](C)(C)C AMY14833 [1,1,0,0,0,0|1,1,0]=4 423 B5R0.5 C=C(C)C(=O)Cl AMY25816 [1,1,0,0,0,0|0,0,2]=4 424 B5R0.5 C=C(C)C(N)=O AMY13351 [1,1,0,0,0,0|0,0,2]=4 425 B5R0.5 CC(=O)C(=O)O AMY6082 [1,1,0,0,0,0|1,0,1]=4 426 B5R0.5 CC(=O)C(=O)[O-] AMY25534 [1,1,0,0,0,0|1,0,1]=4 427 B5R0.5 CC(=O)C(=O)[O-] AMY25673 [1,1,0,0,0,0|1,0,1]=4 428 B5R0.5 CC(=O)C(=O)[O-] AMY25702 [1,1,0,0,0,0|1,0,1]=4 429 B5R0.5 CC(=O)C(C)C AMY11021 [1,1,0,0,0,0|0,0,0]=2 430 B5R0.5 CC(=O)C(F)F AMY6800 [1,1,0,0,0,0|2,0,0]=4 431 B5R0.5 CC(=O)C(O)O AMY25827 [1,1,0,0,0,0|2,0,0]=4 432 B5R0.5 CC(=O)[C@H](C)F AMY5968 [1,1,0,0,0,0|1,0,0]=3 433 B5R0.5 CC(C)B(O)O AM1192 [1,1,0,0,0,0|1,0,1]=4 434 B5R0.5 CC(C)N(C)C AMY13340 [1,1,0,0,0,0|1,0,1]=4 435 B5R0.5 CC(C)[C@@H](C)N AMY22001 [1,1,0,0,0,0|0,0,1]=3 436 B5R0.5 CC(C)[C@H](C)N AMY14243 [1,1,0,0,0,0|0,0,1]=3 437 B5R0.5 CC(C)[N+](=O)[O-] AMY25784 [1,1,0,0,0,0|1,0,0]=3 438 B5R0.5 CC(O)C(=O)[O-] AMY37027 [1,1,0,0,0,0|1,0,0]=3 439 B5R0.5 CN(C)C(=N)N AM804111 [1,1,0,0,0,0|2,0,0]=4 440 B5R0.5 C[C@H](Br)C(=O)O AM81431 [1,1,0,0,0,0|1,0,0]=3 441 B5R0.5 C[C@H](Br)C(=O)O AM81432 [1,1,0,0,0,0|1,0,0]=3 442 B5R0.5 C[C@H](Br)C(=O)O AMY21881 [1,1,0,0,0,0|1,0,0]=3 443 B5R0.5 C[C@H](Br)C(N)=O AMY7273 [1,1,0,0,0,0|1,0,0]=3 444 B5R0.5 C[C@H](Cl)C(=O)Cl AMY40167 [1,1,0,0,0,0|1,0,0]=3 445 B5R0.5 C[C@H](Cl)C(=O)O AM81429 [1,1,0,0,0,0|1,0,0]=3 446 B5R0.5 C[C@H](Cl)C(=O)O AM81430 [1,1,0,0,0,0|1,0,0]=3 447 B5R0.5 C[C@H](Cl)C(=O)O AMY4045 [1,1,0,0,0,0|1,0,0]=3 448 B5R0.5 C[C@H](F)C(=O)O AMY5967 [1,1,0,0,0,0|1,0,0]=3 449 B5R0.5 C[C@H](N)C(=O)O AM20090411 [1,1,0,0,0,0|1,0,0]=3 450 B5R0.5 C[C@H](N)C(=O)O AM20090517 [1,1,0,0,0,0|1,0,0]=3 451 B5R0.5 C[C@H](N)C(=O)O AM20100374 [1,1,0,0,0,0|1,0,0]=3 452 B5R0.5 C[C@H](N)C(N)=O AM20090503 [1,1,0,0,0,0|1,0,0]=3 453 B5R0.5 C[C@H](N)C(N)=O AM81484 [1,1,0,0,0,0|1,0,0]=3 454 B5R0.5 C[C@H](O)C(=N)N AM806558 [1,1,0,0,0,0|2,0,0]=4 455 B5R0.5 C[C@H](O)C(=O)O AM87208 [1,1,0,0,0,0|1,0,0]=3 456 B5R0.5 C[C@H](O)C(=O)[O-] AMY22237 [1,1,0,0,0,0|1,0,0]=3 457 B5R0.5 O=C(O)C(F)F AM20100014 [1,1,0,0,0,0|2,0,0]=4 458 B5R0.5 O=C([O-])C(Cl)Cl AMY37987 [1,1,0,0,0,0|2,0,0]=4 459 B5R0.5 O=C([O-])C(Cl)Cl AMY37994 [1,1,0,0,0,0|2,0,0]=4 460 B5R0.5 O=C([O-])[C@@H](F)Cl AMY7116 [1,1,0,0,0,0|2,0,0]=4 461 B5R0.2 BrCCCCBr AM20080049 [1,1,0,0,0,0|1,0,1]=4 462 B5R0.2 C#CCCCC AMY1242 [1,1,0,0,0,0|1,0,1]=4 463 B5R0.2 C=CCCC=C AMY18716 [1,1,0,0,0,0|1,0,1]=4 464 B5R0.2 C=CCCC=C AMY19739 [1,1,0,0,0,0|1,0,1]=4 465 B5R0.2 C=CCCCBr AM20080066 [1,1,0,0,0,0|1,0,0]=3 466 B5R0.2 C=CCCCO AMY41353 [1,1,0,0,0,0|1,0,0]=3 467 B5R0.2 C=CCNC=O AMY24779 [1,1,0,0,0,0|0,0,2]=4 468 B5R0.2 CCCCCBr AMY9378 [1,1,0,0,0,0|1,0,1]=4 469 B5R0.2 CCCCCC AMY22305 [1,1,0,0,0,0|1,0,1]=4 470 B5R0.2 CCCCCN AMY21878 [1,1,0,0,0,0|1,0,1]=4 471 B5R0.2 CCCCCS AMY19243 [1,1,0,0,0,0|0,1,1]=4 472 B5R0.2 CCCCNN AMY202003284 [1,1,0,0,0,0|1,0,1]=4 473 B5R0.2 CCCNCC AMY13343 [1,1,0,0,0,0|1,0,1]=4 474 B5R0.2 CCO\C=C/Br AM806384 [1,1,0,0,0,0|1,0,1]=4 475 B5R0.2 CNCCCN AM20100546 [1,1,0,0,0,0|1,0,1]=4 476 B5R0.2 CNCCNC AM86300 [1,1,0,0,0,0|2,0,0]=4 477 B5R0.2 COCCC#N AMY40960 [1,1,0,0,0,0|1,0,1]=4 478 B5R0.2 COCCCBr AM20090592 [1,1,0,0,0,0|1,0,1]=4 479 B5R0.2 COCCCCl AMY25654 [1,1,0,0,0,0|1,0,1]=4 480 B5R0.2 COCCCN AMY21871 [1,1,0,0,0,0|1,0,1]=4 481 B5R0.2 COCCCN AMY38449 [1,1,0,0,0,0|1,0,1]=4 482 B5R0.2 COCCCO AM20080231 [1,1,0,0,0,0|0,0,2]=4 483 B5R0.2 COCCNN AM803665 [1,1,0,0,0,0|2,0,0]=4 484 B5R0.2 COCCNN AMY202003278 [1,1,0,0,0,0|2,0,0]=4 485 B5R0.2 COCCOC AMY25530 [1,1,0,0,0,0|2,0,0]=4 486 B5R0.2 COCCON AMY27642 [1,1,0,0,0,0|2,0,0]=4 487 B5R0.2 CSCCCCl AMY744 [1,1,0,0,0,0|1,0,1]=4 488 B5R0.2 ClCCCCI AMY2538 [1,1,0,0,0,0|1,0,1]=4 489 B5R0.2 N#CCCC=O AMY9205 [1,1,0,0,0,0|0,0,1]=3 490 B5R0.2 N#CCCCBr AMY10438 [1,1,0,0,0,0|1,0,1]=4 491 B5R0.2 N#CCCCCl AMY40893 [1,1,0,0,0,0|1,0,1]=4 492 B5R0.2 NCCCCCl AMY15236 [1,1,0,0,0,0|1,0,1]=4 493 B5R0.2 NCCCCN AM20090504 [1,1,0,0,0,0|1,0,1]=4 494 B5R0.2 NCCCCO AMY17788 [1,1,0,0,0,0|0,0,2]=4 495 B5R0.2 O=C=NCCCl AMY23213 [1,1,0,0,0,0|1,0,1]=4 496 B5R0.2 O=CCCC=O AMY18777 [1,1,0,0,0,0|0,0,1]=3 497 B7R0.2 C#CC(=O)OC(C)C AMY7054 [0,2,0,0,0,0|1,0,0]=3 498 B7R0.2 C=CC(=O)C=C(C)C AM806643 [0,2,0,0,0,0|0,0,2]=4 499 B7R0.2 C=CC(=O)NC(C)C AM84785 [0,2,0,0,0,0|1,0,0]=3 500 B7R0.2 CC(C)C[C@H](N)C#N AMY32610 [0,2,0,0,0,0|1,0,1]=4 501 B7R0.2 CC(C)C[C@H](N)CO AM20100311 [0,2,0,0,0,0|0,0,2]=4 502 B7R0.2 CC(C)C[C@H](N)CO AM20100733 [0,2,0,0,0,0|0,0,2]=4 503 B7R0.2 CC(C)OC(=O)CN AM81795 [0,2,0,0,0,0|1,0,0]=3 504 B7R0.2 CC(C)OC(=O)CO AM20100526 [0,2,0,0,0,0|1,0,0]=3 505 B7R0.2 CCC(=O)CC(=O)O AM85448 [0,2,0,0,0,0|1,0,1]=4 506 B7R0.2 CCC(=O)CC(=O)[O-] AM88443 [0,2,0,0,0,0|1,0,1]=4 507 B7R0.2 CCC(=O)CC(C)=O AMY2701 [0,2,0,0,0,0|1,0,1]=4 508 B7R0.2 CCC(C)CC(C)N AMY12579 [0,2,0,0,0,0|1,0,1]=4 509 B7R0.2 CC[C@H](C)NC(N)=O AMY7838 [0,2,0,0,0,0|1,0,0]=3 510 B7R0.2 CC[C@H](O)CC(=O)O AM85451 [0,2,0,0,0,0|1,0,0]=3 511 B7R0.2 CN(C)CC(=O)NN AM20120575 [0,2,0,0,0,0|1,0,0]=3 512 B7R0.2 COC(=O)CC(=O)Cl AM90205 [0,2,0,0,0,0|1,0,1]=4 513 B7R0.2 COC(=O)CC(=O)[O-] AMY3708 [0,2,0,0,0,0|1,0,1]=4 514 B7R0.2 COC(=O)CC(=O)[O-] AMY3965 [0,2,0,0,0,0|1,0,1]=4 515 B7R0.2 COC(=O)C[C@H](C)O AM20090811 [0,2,0,0,0,0|1,0,0]=3 516 B7R0.2 COC(=O)C[C@H](C)O AM20100049 [0,2,0,0,0,0|1,0,0]=3 517 B7R0.2 COC(=O)C[C@H](C)O AMY3321 [0,2,0,0,0,0|1,0,0]=3 518 B7R0.2 C\C(C=O)=C/N(C)C AMY28718 [0,2,0,0,0,0|1,0,1]=4 519 B7R0.2 NC[C@@H](N)CC(=O)O AMY21992 [0,2,0,0,0,0|1,0,0]=3 520 B7R0.2 NC[C@H](N)CC(=O)O AMY21991 [0,2,0,0,0,0|1,0,0]=3 521 B7R0.2 N[C@H](CO)CC(=O)O AM20080465 [0,2,0,0,0,0|1,0,0]=3 522 B7R0.3 COC(=O)CCC=O AM20080287 [0,2,0,0,0,0|1,0,1]=4 523 B7R0.3 C[C@H](CN)CCCN AMY37195 [0,2,0,0,0,0|1,0,1]=4 524 B7R0.5 C=CC[C@H](C)C(=O)O AMY3846 [0,2,0,0,0,0|1,0,1]=4 525 B7R0.5 CC(C)C(=O)CC#N AM20090390 [0,2,0,0,0,0|1,0,1]=4 526 B7R0.5 CC(C)N(C)CCO AMY9192 [0,2,0,0,0,0|0,0,2]=4 527 B7R0.5 CC(C)[C@@H](N)CCO AMY20244 [0,2,0,0,0,0|0,0,2]=4 528 B7R0.5 COC[C@H](N)C(C)C AM806372 [0,2,0,0,0,0|0,0,2]=4 529 B7R0.7 C=CCC(O)CC=C AM85702 [0,2,0,0,0,0|2,0,0]=4 530 B7R0.7 CCOC(=O)CC=O AMY18659 [0,2,0,0,0,0|1,0,1]=4 531 B7R0.10 CC[C@@H](C)[C@@H](N)CO AM20090276 [0,2,0,0,0,0|0,0,2]=4 532 B7R0.11 C=CCC(C)(C)C=O AM20080935 [0,2,0,0,0,0|1,0,0]=3 533 B7R0.11 CCCC(C)(C)CO AM20120588 [0,2,0,0,0,0|1,0,1]=4 534 B7R0.11 COC(C)(C)CCN AMY21326 [0,2,0,0,0,0|1,0,1]=4 535 B7R0.12 CCCC(CO)CO AMY36979 [0,2,0,0,0,0|1,0,1]=4 536 B7R0.12 CNCC(OC)OC AMY41272 [0,2,0,0,0,0|2,0,0]=4 537 B7R0.12 COC(CCBr)OC AMY19911 [0,2,0,0,0,0|1,0,1]=4 538 B7R0.12 COC(CCO)OC AMY38618 [0,2,0,0,0,0|0,0,2]=4 539 B7R0.12 COCC(OC)OC AM20080585 [0,2,0,0,0,0|2,0,0]=4 540 B7R0.9 CC(=O)N[Si](C)(C)C AMY42260 [0,2,0,0,0,0|1,1,0]=4 541 B7R0.9 CC(=O)OC(C)(C)C AMY11033 [0,2,0,0,0,0|1,0,0]=3 542 B7R0.9 CC(C)(C)CB(O)O AMY054 [0,2,0,0,0,0|1,0,1]=4 543 B7R0.9 CC(C)(C)CC(=O)O AM20080023 [0,2,0,0,0,0|0,0,0]=2 544 B7R0.9 CC(C)(C)NC(N)=S AMY11605 [0,2,0,0,0,0|1,1,0]=4 545 B7R0.9 CC(C)(C)OC(N)=O AM20100123 [0,2,0,0,0,0|1,0,0]=3 546 B7R0.9 CC(C)(N)CC(=O)O AM20100529 [0,2,0,0,0,0|0,0,0]=2 547 B7R0.9 CC(C)(N)CC(=O)O AMY115 [0,2,0,0,0,0|0,0,0]=2 548 B7R0.9 CC(C)(N)CC(N)=O AMY120 [0,2,0,0,0,0|0,0,0]=2 549 B7R0.9 CC(C)(O)CC(=O)[O-] AMY39074 [0,2,0,0,0,0|0,0,0]=2 550 B7R0.9 CC(C)CC(C)(C)O AMY25737 [0,2,0,0,0,0|0,0,2]=4 551 B7R0.9 CC(C)CS(=O)(=O)Cl AMY3057 [0,2,0,0,0,0|1,0,0]=3 552 B7R0.9 CC(F)(F)CC(=O)O AMY6154 [0,2,0,0,0,0|1,0,0]=3 553 B7R0.9 CN(C)CC(C)(C)N AMY40945 [0,2,0,0,0,0|2,0,0]=4 554 B7R0.9 CN(C)CC(C)(C)O AMY9263 [0,2,0,0,0,0|2,0,0]=4 555 B7R0.9 CS(=O)(=O)CC(=O)O AMY14249 [0,2,0,0,0,0|2,0,0]=4 556 B7R0.9 C[N+](C)(C)CC(=O)[O-] AM90357 [0,2,0,0,0,0|1,0,0]=3 557 B7R0.9 C[N+](C)(C)CC(=O)[O-] AMY22129 [0,2,0,0,0,0|1,0,0]=3 558 B7R0.9 NC(=O)CC(F)(F)F AMY15466 [0,2,0,0,0,0|2,0,0]=4 559 B7R0.9 O=C(O)CC(F)(F)F AMY6809 [0,2,0,0,0,0|2,0,0]=4 560 B7R0.16 C=C(C)[C@@H](N)C(=O)O AMY23937 [0,2,0,0,0,0|0,0,2]=4 561 B7R0.16 CC(=O)C(Cl)C(C)=O AMY3866 [0,2,0,0,0,0|1,0,1]=4 562 B7R0.16 CC(C)C(=O)C(=O)[O-] AMY37099 [0,2,0,0,0,0|0,0,1]=3 563 B7R0.16 CC(C)C(N)C(C)C AMY9393 [0,2,0,0,0,0|1,0,1]=4 564 B7R0.16 CC(C)[C@H](Br)C(=O)O AMY13608 [0,2,0,0,0,0|0,0,0]=2 565 B7R0.16 CC(C)[C@H](Cl)C(=O)O AM9806 [0,2,0,0,0,0|0,0,0]=2 566 B7R0.16 CC(C)[C@H](N)C(=O)O AM82362 [0,2,0,0,0,0|0,0,0]=2 567 B7R0.16 CC(C)[C@H](N)C(=O)O AM82363 [0,2,0,0,0,0|0,0,0]=2 568 B7R0.16 CC(C)[C@H](N)C(=O)O AM82364 [0,2,0,0,0,0|0,0,0]=2 569 B7R0.16 CC(C)[C@H](N)C(N)=O AM82387 [0,2,0,0,0,0|0,0,0]=2 570 B7R0.16 CC(C)[C@H](O)C(=O)O AMY22056 [0,2,0,0,0,0|0,0,0]=2 571 B7R0.16 CC(O)C(N)C(=O)O AMY25310 [0,2,0,0,0,0|1,0,0]=3 572 B7R0.16 CN(C)C(=O)C(=O)O AM20090487 [0,2,0,0,0,0|1,0,1]=4 573 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM20100684 [0,2,0,0,0,0|1,0,0]=3 574 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O AM82240 [0,2,0,0,0,0|1,0,0]=3 575 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O AM82268 [0,2,0,0,0,0|1,0,0]=3 576 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM20090281 [0,2,0,0,0,0|1,0,0]=3 577 B7R0.16 C[C@H](O)[C@H](N)C(=O)O AM82272 [0,2,0,0,0,0|1,0,0]=3 578 B7R0.13 CC(C)C(Cl)(Cl)C=O AMY39939 [0,2,0,0,0,0|0,0,0]=2 579 B7R0.13 CC(C)[C@](C)(N)C#N AM20080292 [0,2,0,0,0,0|1,0,1]=4 580 B7R0.14 CC(C)(C)[C@@H](N)CO AMY13406 [0,2,0,0,0,0|0,0,2]=4 581 B7R0.14 CC(C)(C)[C@H](N)CO AMY206 [0,2,0,0,0,0|0,0,2]=4 582 B7R0.14 CC(C)(O)[C@H](F)CN AMY38972 [0,2,0,0,0,0|1,0,1]=4 583 B7R0.15 CC(C)C(C#N)C#N AMY37079 [0,2,0,0,0,0|1,0,1]=4 584 B7R0.4 CC(C)CCON=O AMY3781 [0,2,0,0,0,0|0,0,1]=3 585 B7R0.4 CC(C)NCCCO AMY41464 [0,2,0,0,0,0|0,0,2]=4 586 B7R0.6 CC(=O)CCC(=O)O AM20080171 [0,2,0,0,0,0|1,0,1]=4 587 B7R0.6 CC(=O)CCC(C)=O AMY25528 [0,2,0,0,0,0|1,0,1]=4 588 B7R0.6 CC(=O)CNC(C)=O AMY32031 [0,2,0,0,0,0|1,0,1]=4 589 B7R0.6 CC(=O)NCC(=O)O AM81782 [0,2,0,0,0,0|1,0,1]=4 590 B7R0.6 CC(=O)OCC(=O)Cl AMY39424 [0,2,0,0,0,0|1,0,1]=4 591 B7R0.6 CC(=O)OCC(=O)O AMY3826 [0,2,0,0,0,0|1,0,1]=4 592 B7R0.6 CC(=O)\C=C\N(C)C AMY31395 [0,2,0,0,0,0|1,0,1]=4 593 B7R0.6 CC(C)C=C[N+](=O)[O-] AM806526 [0,2,0,0,0,0|0,0,1]=3 594 B7R0.6 CC(C)CCB(O)O AM90168 [0,2,0,0,0,0|0,0,2]=4 595 B7R0.6 CC(C)CCC(=O)Cl AMY33518 [0,2,0,0,0,0|0,0,0]=2 596 B7R0.6 CC(C)CC[C@H](C)N AMY3922 [0,2,0,0,0,0|1,0,1]=4 597 B7R0.6 CC(C)NCC(=O)Cl AM87903 [0,2,0,0,0,0|0,0,0]=2 598 B7R0.6 CC(C)OCC(=O)O AMY4704 [0,2,0,0,0,0|0,0,0]=2 599 B7R0.6 CN(C)CCC(=O)O AM86616 [0,2,0,0,0,0|1,0,0]=3 600 B7R0.6 CN(C)\C=C\[N+](=O)[O-] AM88106 [0,2,0,0,0,0|1,0,1]=4 601 B7R0.8 C=CCC[Si](C)(C)C AMY24685 [0,2,0,0,0,0|1,1,0]=4 602 B7R0.8 C[Si](C)(C)C#CC=O AMY15576 [0,2,0,0,0,0|0,1,1]=4 603 B7R0.8 O=CCCC(F)(F)F AM20100084 [0,2,0,0,0,0|2,0,0]=4 604 B5R1.2 BrC1CCC1 AM803913 [1,0,0,1,0,0|1,0,1]=4 605 B5R1.2 BrC1CNC1 AMY34832 [1,0,0,1,0,0|2,0,0]=4 606 B5R1.2 BrC1COC1 AM20020035 [1,0,0,1,0,0|1,0,1]=4 607 B5R1.2 CC1CNC1 AM20120351 [1,0,0,1,0,0|1,0,0]=3 608 B5R1.2 C[C@H]1CCN1 AM806564 [1,0,0,1,0,0|1,0,1]=4 609 B5R1.2 ClC1CCC1 AMY6175 [1,0,0,1,0,0|1,0,1]=4 610 B5R1.2 ClC1CNC1 AMY33719 [1,0,0,1,0,0|2,0,0]=4 611 B5R1.2 ClC1COC1 AMY34839 [1,0,0,1,0,0|1,0,1]=4 612 B5R1.2 FC1CNC1 AM20100512 [1,0,0,1,0,0|2,0,0]=4 613 B5R1.2 FC1CNC1 AMY12200 [1,0,0,1,0,0|2,0,0]=4 614 B5R1.2 FC1COC1 AM20020027 [1,0,0,1,0,0|1,0,1]=4 615 B5R1.2 IC1CCC1 AMY6180 [1,0,0,1,0,0|1,0,1]=4 616 B5R1.2 IC1COC1 AM20020026 [1,0,0,1,0,0|1,0,1]=4 617 B5R1.2 NC1CCC1 AMY2668 [1,0,0,1,0,0|1,0,1]=4 618 B5R1.2 NC1CCC1 AMY6177 [1,0,0,1,0,0|1,0,1]=4 619 B5R1.2 NC1CNC1 AMY6172 [1,0,0,1,0,0|2,0,0]=4 620 B5R1.2 NC1COC1 AM20020021 [1,0,0,1,0,0|1,0,1]=4 621 B5R1.2 NC1COC1 AM85383 [1,0,0,1,0,0|1,0,1]=4 622 B5R1.2 NC1CSC1 AM20120367 [1,0,0,1,0,0|1,1,0]=4 623 B5R1.2 OC1CCC1 AM803645 [1,0,0,1,0,0|1,0,1]=4 624 B5R1.2 OC1CNC1 AM20100158 [1,0,0,1,0,0|2,0,0]=4 625 B5R1.2 OC1COC1 AM20020046 [1,0,0,1,0,0|1,0,1]=4 626 B5R1.2 OC1CSC1 AMY35636 [1,0,0,1,0,0|1,1,0]=4 627 B5R1.2 SC1COC1 AMY33758 [1,0,0,1,0,0|1,0,1]=4 628 B5R1.3 BrCC1CC1 AM90231 [1,0,0,1,0,0|1,0,0]=3 629 B5R1.3 BrC[C@H]1CO1 AMY31919 [1,0,0,1,0,0|2,0,0]=4 630 B5R1.3 C#CC1CC1 AM20100625 [1,0,0,1,0,0|0,0,2]=4 631 B5R1.3 C=C[C@@H]1CO1 AMY40815 [1,0,0,1,0,0|1,0,1]=4 632 B5R1.3 CNC1CC1 AM20100262 [1,0,0,1,0,0|1,0,1]=4 633 B5R1.3 CNC1CC1 AM20100622 [1,0,0,1,0,0|1,0,1]=4 634 B5R1.3 ClCC1CC1 AM20100440 [1,0,0,1,0,0|1,0,0]=3 635 B5R1.3 ClC[C@H]1CO1 AM20090809 [1,0,0,1,0,0|2,0,0]=4 636 B5R1.3 ClC[C@H]1CO1 AM20090812 [1,0,0,1,0,0|2,0,0]=4 637 B5R1.3 ClC[C@H]1CO1 AMY40813 [1,0,0,1,0,0|2,0,0]=4 638 B5R1.3 ICC1CC1 AMY6123 [1,0,0,1,0,0|1,0,0]=3 639 B5R1.3 IC[C@H]1CO1 AMY5696 [1,0,0,1,0,0|2,0,0]=4 640 B5R1.3 N#CC1CC1 AMY3403 [1,0,0,1,0,0|1,0,1]=4 641 B5R1.3 NCC1CC1 AM61420 [1,0,0,1,0,0|1,0,0]=3 642 B5R1.3 NNC1CC1 AM10015 [1,0,0,1,0,0|2,0,0]=4 643 B5R1.3 O=CC1CC1 AM90182 [1,0,0,1,0,0|0,0,0]=2 644 B5R1.3 OCC1CC1 AM20090298 [1,0,0,1,0,0|0,0,1]=3 645 B5R1.3 OC[C@H]1CO1 AM20100365 [1,0,0,1,0,0|1,0,1]=4 646 B5R1.3 OC[C@H]1CO1 AM20100474 [1,0,0,1,0,0|1,0,1]=4 647 B5R1.3 OC[C@H]1CO1 AM81447 [1,0,0,1,0,0|1,0,1]=4 648 B5R1.4 CC1CC1N AM806543 [1,0,0,1,0,0|1,0,0]=3 649 B5R1.4 CC1CC1N AM806563 [1,0,0,1,0,0|1,0,0]=3 650 B5R1.4 C[C@H]1C[C@H]1F AMY5813 [1,0,0,1,0,0|1,0,0]=3 651 B5R1.4 FC1CC1Br AMY5835 [1,0,0,1,0,0|2,0,0]=4 652 B5R1.4 N[C@@H]1CC1F AM84389 [1,0,0,1,0,0|2,0,0]=4 653 B5R1.4 N[C@H]1C[C@H]1N AMY35674 [1,0,0,1,0,0|2,0,0]=4 654 B5R1.5 CC1(N)CC1 AM803556 [1,0,0,1,0,0|1,0,1]=4 655 B5R1.5 CC1(O)CC1 AMY38664 [1,0,0,1,0,0|1,0,1]=4 656 B5R1.1 C1=CCNC1 AM20100570 [1,0,0,1,0,0|2,0,0]=4 657 B5R1.1 C1=CCNC1 AM9928 [1,0,0,1,0,0|2,0,0]=4 658 B5R1.1 C1=CCOC1 AM81814 [1,0,0,1,0,0|2,0,0]=4 659 B5R1.1 C1=CNCC1 AMY6075 [1,0,0,1,0,0|1,0,1]=4 660 B5R1.1 C1CCNC1 AMY10044 [1,0,0,1,0,0|1,0,1]=4 661 B5R1.1 C1CCOC1 AMY11079 [1,0,0,1,0,0|0,0,2]=4 662 B5R1.1 C1CCOC1 AMY14809 [1,0,0,1,0,0|0,0,2]=4 663 B5R1.1 C1CCOC1 AMY14877 [1,0,0,1,0,0|0,0,2]=4 664 B5R1.1 C1CNNC1 AMY28694 [1,0,0,1,0,0|2,0,0]=4 665 B5R1.1 C1CNOC1 AM803837 [1,0,0,1,0,0|1,0,1]=4 666 B7R1.1 BrCC1CCCC1 AMY6992 [0,1,0,1,0,0|1,0,1]=4 667 B7R1.1 BrC[C@H]1CCNC1 AM91583 [0,1,0,1,0,0|1,0,1]=4 668 B7R1.1 BrC[C@H]1CCNC1 AM94346 [0,1,0,1,0,0|1,0,1]=4 669 B7R1.1 BrC[C@H]1CCOC1 AM20080466 [0,1,0,1,0,0|0,0,2]=4 670 B7R1.1 CC[C@@H]1CCNC1 AMY34410 [0,1,0,1,0,0|1,0,1]=4 671 B7R1.1 CC[C@H]1CCNC1 AMY34423 [0,1,0,1,0,0|1,0,1]=4 672 B7R1.1 CNC1CCCC1 AMY10584 [0,1,0,1,0,0|1,0,1]=4 673 B7R1.1 CN[C@@H]1CCOC1 AMY37512 [0,1,0,1,0,0|0,0,2]=4 674 B7R1.1 CN[C@H]1CCNC1 AM101327 [0,1,0,1,0,0|1,0,1]=4 675 B7R1.1 CN[C@H]1CCNC1 AM97548 [0,1,0,1,0,0|1,0,1]=4 676 B7R1.1 CN[C@H]1CCNC1 AM97549 [0,1,0,1,0,0|1,0,1]=4 677 B7R1.1 CN[C@H]1CCOC1 AM20120293 [0,1,0,1,0,0|0,0,2]=4 678 B7R1.1 CN[C@H]1CCOC1 AMY34214 [0,1,0,1,0,0|0,0,2]=4 679 B7R1.1 CN[C@H]1CCOC1 AMY37563 [0,1,0,1,0,0|0,0,2]=4 680 B7R1.1 CO[C@H]1CCNC1 AM100854 [0,1,0,1,0,0|1,0,1]=4 681 B7R1.1 CO[C@H]1CCNC1 AM20100541 [0,1,0,1,0,0|1,0,1]=4 682 B7R1.1 CO[C@H]1CCNC1 AM91096 [0,1,0,1,0,0|1,0,1]=4 683 B7R1.1 CO[C@H]1CCNC1 AM91097 [0,1,0,1,0,0|1,0,1]=4 684 B7R1.1 CO[C@H]1CCNC1 AM97517 [0,1,0,1,0,0|1,0,1]=4 685 B7R1.1 ClC[C@H]1CCNC1 AM101443 [0,1,0,1,0,0|1,0,1]=4 686 B7R1.1 ClC[C@H]1CCNC1 AM91070 [0,1,0,1,0,0|1,0,1]=4 687 B7R1.1 IC[C@H]1CCNC1 AM91584 [0,1,0,1,0,0|1,0,1]=4 688 B7R1.1 IC[C@H]1CCNC1 AM94098 [0,1,0,1,0,0|1,0,1]=4 689 B7R1.1 IC[C@H]1CCOC1 AMY33647 [0,1,0,1,0,0|0,0,2]=4 690 B7R1.1 NCC1CCCC1 AM20100430 [0,1,0,1,0,0|1,0,1]=4 691 B7R1.1 NCC1CCCC1 AM804123 [0,1,0,1,0,0|1,0,1]=4 692 B7R1.1 NC[C@H]1CCOC1 AM20070698 [0,1,0,1,0,0|0,0,2]=4 693 B7R1.1 NC[C@H]1CCOC1 AM20070699 [0,1,0,1,0,0|0,0,2]=4 694 B7R1.1 NC[C@H]1CCOC1 AM20080467 [0,1,0,1,0,0|0,0,2]=4 695 B7R1.1 NC[C@H]1CCOC1 AM20090079 [0,1,0,1,0,0|0,0,2]=4 696 B7R1.1 OCC1CC=CC1 AM20090293 [0,1,0,1,0,0|1,0,0]=3 697 B7R1.1 OCC1CCCC1 AM20090579 [0,1,0,1,0,0|1,0,1]=4 698 B7R1.1 OC[C@H]1CCNC1 AM20080050 [0,1,0,1,0,0|1,0,1]=4 699 B7R1.1 OC[C@H]1CCNC1 AM20100247 [0,1,0,1,0,0|1,0,1]=4 700 B7R1.1 OC[C@H]1CCNC1 AMY20013 [0,1,0,1,0,0|1,0,1]=4 701 B7R1.1 OC[C@H]1CCOC1 AM20080182 [0,1,0,1,0,0|0,0,2]=4 702 B7R1.1 OC[C@H]1CCOC1 AM20080421 [0,1,0,1,0,0|0,0,2]=4 703 B7R1.1 OC[C@H]1CCOC1 AMY23730 [0,1,0,1,0,0|0,0,2]=4 704 B7R1.1 SC[C@H]1CCNC1 AM98788 [0,1,0,1,0,0|1,0,1]=4 705 B7R1.2 CN1CCC(=O)C1 AM20100632 [0,1,0,1,0,0|1,0,0]=3 706 B7R1.2 CN1CCC(=O)C1 AMY25051 [0,1,0,1,0,0|1,0,0]=3 707 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [0,1,0,1,0,0|1,0,0]=3 708 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [0,1,0,1,0,0|0,0,0]=2 709 B7R1.2 C[C@@H]1C[C@H](O)CN1 AMY19216 [0,1,0,1,0,0|0,0,2]=4 710 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [0,1,0,1,0,0|0,0,0]=2 711 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [0,1,0,1,0,0|1,0,0]=3 712 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [0,1,0,1,0,0|0,0,0]=2 713 B7R1.2 C[C@H]1CNC(=O)O1 AMY3772 [0,1,0,1,0,0|1,0,0]=3 714 B7R1.2 C[C@H]1C[C@@H](N)CN1 AMY19213 [0,1,0,1,0,0|1,0,1]=4 715 B7R1.2 C[C@H]1C[C@@H](O)CN1 AMY19265 [0,1,0,1,0,0|0,0,2]=4 716 B7R1.2 C[C@H]1C[C@H](N)CN1 AMY19217 [0,1,0,1,0,0|1,0,1]=4 717 B7R1.2 C[C@H]1C[C@H](O)CN1 AMY19218 [0,1,0,1,0,0|0,0,2]=4 718 B7R1.2 N[C@@H]1CNC(=O)C1 AMY34929 [0,1,0,1,0,0|1,0,0]=3 719 B7R1.2 N[C@@H]1COC(=O)C1 AMY22231 [0,1,0,1,0,0|1,0,0]=3 720 B7R1.2 N[C@H]1COC(=O)C1 AMY18836 [0,1,0,1,0,0|1,0,0]=3 721 B7R1.2 O=C1C=C[C@@H](O)C1 AMY1807 [0,1,0,1,0,0|1,0,1]=4 722 B7R1.2 O=C1CCC(=O)C1 AM20100026 [0,1,0,1,0,0|1,0,1]=4 723 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [0,1,0,1,0,0|1,0,0]=3 724 B7R1.2 O=C1CNC(=O)C1 AM20120511 [0,1,0,1,0,0|1,0,1]=4 725 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [0,1,0,1,0,0|1,0,0]=3 726 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [0,1,0,1,0,0|1,0,0]=3 727 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [0,1,0,1,0,0|1,0,0]=3 728 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [0,1,0,1,0,0|1,0,0]=3 729 B7R1.2 O=C1OC[C@H](Cl)O1 AMY19473 [0,1,0,1,0,0|2,0,0]=4 730 B7R1.3 CC1CCNCC1 AMY23280 [0,1,0,1,0,0|1,0,1]=4 731 B7R1.3 CC1CCOCC1 AMY6168 [0,1,0,1,0,0|0,0,2]=4 732 B7R1.3 C[C@@H]1CNCCO1 AMY11004 [0,1,0,1,0,0|1,0,1]=4 733 B7R1.3 C[C@@H]1COCCN1 AMY21764 [0,1,0,1,0,0|0,0,2]=4 734 B7R1.3 C[C@H]1C=CCCO1 AMY6012 [0,1,0,1,0,0|1,0,1]=4 735 B7R1.3 C[C@H]1CCCCN1 AM20080042 [0,1,0,1,0,0|1,0,1]=4 736 B7R1.3 C[C@H]1CCCCN1 AM81342 [0,1,0,1,0,0|1,0,1]=4 737 B7R1.3 C[C@H]1CCCNC1 AM86032 [0,1,0,1,0,0|1,0,1]=4 738 B7R1.3 C[C@H]1CCCNC1 AM86033 [0,1,0,1,0,0|1,0,1]=4 739 B7R1.3 C[C@H]1CCCNC1 AMY5569 [0,1,0,1,0,0|1,0,1]=4 740 B7R1.3 C[C@H]1CNCCN1 AM20080043 [0,1,0,1,0,0|1,0,1]=4 741 B7R1.3 C[C@H]1CNCCN1 AM81347 [0,1,0,1,0,0|1,0,1]=4 742 B7R1.3 C[C@H]1CNCCN1 AM81348 [0,1,0,1,0,0|1,0,1]=4 743 B7R1.3 C[C@H]1CNCCO1 AM20090347 [0,1,0,1,0,0|1,0,1]=4 744 B7R1.3 C[C@H]1CNCCO1 AM85055 [0,1,0,1,0,0|1,0,1]=4 745 B7R1.3 C[C@H]1CNCCO1 AMY21629 [0,1,0,1,0,0|1,0,1]=4 746 B7R1.3 C[C@H]1CNCCO1 AMY9349 [0,1,0,1,0,0|1,0,1]=4 747 B7R1.3 C[C@H]1COCCN1 AM20100118 [0,1,0,1,0,0|0,0,2]=4 748 B7R1.3 C[C@H]1COCCN1 AM803755 [0,1,0,1,0,0|0,0,2]=4 749 B7R1.3 C[C@H]1COCCN1 AM804311 [0,1,0,1,0,0|0,0,2]=4 750 B7R1.3 C[C@H]1COCCN1 AM806455 [0,1,0,1,0,0|0,0,2]=4 751 B7R1.3 C[C@H]1COCCN1 AMY22799 [0,1,0,1,0,0|0,0,2]=4 752 B7R1.3 Cl[C@@H]1CC=CCC1 AMY13656 [0,1,0,1,0,0|2,0,0]=4 753 B7R1.4 CC1CNCC1O AM806548 [0,1,0,1,0,0|1,0,1]=4 754 B7R1.6 COCC1CNC1 AM20120364 [0,1,0,1,0,0|2,0,0]=4 755 B7R1.6 COCC1CNC1 AMY33648 [0,1,0,1,0,0|2,0,0]=4 756 B7R1.6 N#CCC1CNC1 AMY34671 [0,1,0,1,0,0|1,0,1]=4 757 B7R1.6 NCCC1CCC1 AMY34747 [0,1,0,1,0,0|1,0,1]=4 758 B7R1.6 NCCC1COC1 AMY19670 [0,1,0,1,0,0|1,0,1]=4 759 B7R1.6 O=CC=C1COC1 AMY32069 [0,1,0,1,0,0|0,0,2]=4 760 B7R1.6 OCCC1CCC1 AM807009 [0,1,0,1,0,0|0,0,2]=4 761 B7R1.6 OCCC1COC1 AMY19718 [0,1,0,1,0,0|0,0,2]=4 762 B7R1.9 NC[C@@H]1C[C@H]1CO AMY37214 [0,1,0,1,0,0|0,0,2]=4 763 B7R1.10 C=C1CC(C#N)C1 AM20070632 [0,1,0,1,0,0|1,0,1]=4 764 B7R1.10 C=C1CC(C=O)C1 AM84292 [0,1,0,1,0,0|0,0,2]=4 765 B7R1.10 C=C1CC(CBr)C1 AM84291 [0,1,0,1,0,0|1,0,0]=3 766 B7R1.10 C=C1CC(CN)C1 AM84290 [0,1,0,1,0,0|1,0,0]=3 767 B7R1.10 C=C1CC(CO)C1 AM84289 [0,1,0,1,0,0|1,0,0]=3 768 B7R1.10 CC1CC(CN)C1 AM806550 [0,1,0,1,0,0|1,0,1]=4 769 B7R1.10 CN1CC(CBr)C1 AM806288 [0,1,0,1,0,0|2,0,0]=4 770 B7R1.10 CN1CC(CN)C1 AMY34321 [0,1,0,1,0,0|2,0,0]=4 771 B7R1.10 CN1CC(CO)C1 AMY35664 [0,1,0,1,0,0|2,0,0]=4 772 B7R1.10 CNC1CC(O)C1 AMY33649 [0,1,0,1,0,0|0,0,2]=4 773 B7R1.10 CNC1CN(C)C1 AM20090464 [0,1,0,1,0,0|2,0,0]=4 774 B7R1.10 COC1CC(N)C1 AM807010 [0,1,0,1,0,0|1,0,1]=4 775 B7R1.10 COC1CC(O)C1 AMY41129 [0,1,0,1,0,0|0,0,2]=4 776 B7R1.10 CO[C@H]1C[C@H](N)C1 AMY19617 [0,1,0,1,0,0|1,0,1]=4 777 B7R1.10 N#CC1CC(=O)C1 AM20070603 [0,1,0,1,0,0|0,0,1]=3 778 B7R1.10 NC1CC(CO)C1 AMY32100 [0,1,0,1,0,0|1,0,1]=4 779 B7R1.10 NCC1CC(O)C1 AMY33634 [0,1,0,1,0,0|0,0,2]=4 780 B7R1.10 NC[C@H]1C[C@@H](O)C1 AM20070628 [0,1,0,1,0,0|0,0,2]=4 781 B7R1.10 NC[C@H]1C[C@H](F)C1 AMY34291 [0,1,0,1,0,0|1,0,1]=4 782 B7R1.10 N[C@H]1C[C@@H](CO)C1 AM807011 [0,1,0,1,0,0|1,0,1]=4 783 B7R1.10 O=C1CC(CBr)C1 AM85778 [0,1,0,1,0,0|0,0,0]=2 784 B7R1.10 O=C1CC(CF)C1 AM84266 [0,1,0,1,0,0|0,0,0]=2 785 B7R1.10 O=C1CC(CO)C1 AM20070600 [0,1,0,1,0,0|0,0,0]=2 786 B7R1.10 O=CC1CC(F)C1 AM85365 [0,1,0,1,0,0|1,0,0]=3 787 B7R1.10 OCC1CC(F)C1 AM85531 [0,1,0,1,0,0|1,0,1]=4 788 B7R1.10 OCC1CC(O)C1 AM85526 [0,1,0,1,0,0|0,0,2]=4 789 B7R1.21 COCC1(N)CC1 AMY38195 [0,1,0,1,0,0|2,0,0]=4 790 B7R1.22 N[C@@H](CO)C1CC1 AM9186 [0,1,0,1,0,0|0,0,2]=4 791 B7R1.22 O=CC(=O)C1CC1 AM87069 [0,1,0,1,0,0|0,0,1]=3 792 B7R1.25 CC1(CBr)COC1 AM20020048 [0,1,0,1,0,0|2,0,0]=4 793 B7R1.25 CC1(CCl)COC1 AM20020049 [0,1,0,1,0,0|2,0,0]=4 794 B7R1.25 CC1(CI)COC1 AM20020007 [0,1,0,1,0,0|2,0,0]=4 795 B7R1.25 CC1(CN)COC1 AM20020018 [0,1,0,1,0,0|2,0,0]=4 796 B7R1.25 CC1(CO)COC1 AM20020031 [0,1,0,1,0,0|2,0,0]=4 797 B7R1.25 COC1(C)CNC1 AM20110261 [0,1,0,1,0,0|2,0,0]=4 798 B7R1.25 C[C@]1(CO)CCN1 AMY35790 [0,1,0,1,0,0|1,0,1]=4 799 B7R1.25 C[C@]1(CO)CCO1 AMY5672 [0,1,0,1,0,0|0,0,2]=4 800 B7R1.12 CC1CC1C(=O)O AM803649 [0,1,0,1,0,0|0,0,0]=2 801 B7R1.12 CC1CC1C(N)=O AMY5644 [0,1,0,1,0,0|0,0,0]=2 802 B7R1.12 C[C@@H]1C[C@H]1C(=O)O AMY35644 [0,1,0,1,0,0|0,0,0]=2 803 B7R1.12 O=C(O)C1CC1F AMY5778 [0,1,0,1,0,0|1,0,0]=3 804 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F AMY5475 [0,1,0,1,0,0|1,0,0]=3 805 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85620 [0,1,0,1,0,0|1,0,0]=3 806 B7R1.12 O=C(O)[C@H]1C[C@@H]1F AM85621 [0,1,0,1,0,0|1,0,0]=3 807 B7R1.12 O=C(O)[C@H]1C[C@H]1F AM85536 [0,1,0,1,0,0|1,0,0]=3 808 B7R1.12 O=C(O)[C@H]1C[C@H]1I AMY5812 [0,1,0,1,0,0|1,0,0]=3 809 B7R1.16 C=C1CC(F)(F)C1 AM806546 [0,1,0,1,0,0|2,0,0]=4 810 B7R1.16 CC1(C)CC(Br)C1 AMY39476 [0,1,0,1,0,0|1,0,1]=4 811 B7R1.16 CC1(C)CC(N)C1 AMY34794 [0,1,0,1,0,0|1,0,1]=4 812 B7R1.16 C[C@]1(N)C[C@H](O)C1 AMY34064 [0,1,0,1,0,0|0,0,2]=4 813 B7R1.16 O=C1CC(F)(F)C1 AMY15596 [0,1,0,1,0,0|1,0,0]=3 814 B7R1.16 O=C1CS(=O)(=O)C1 AMY32266 [0,1,0,1,0,0|2,0,0]=4 815 B7R1.16 O=S1(=O)CC(Br)C1 AM20100451 [0,1,0,1,0,0|2,0,0]=4 816 B7R1.16 O=S1(=O)CC(Cl)C1 AM20080429 [0,1,0,1,0,0|2,0,0]=4 817 B7R1.20 CC(=O)CC1CC1 AM20100099 [0,1,0,1,0,0|0,0,0]=2 818 B7R1.20 O=C(O)CC1CC1 AM20100289 [0,1,0,1,0,0|0,0,0]=2 819 B7R1.17 O=C1CCC1(F)F AMY42507 [0,1,0,1,0,0|2,0,0]=4 820 B7R1.14 CC1(C)CCCN1 AM804148 [0,1,0,1,0,0|1,0,1]=4 821 B7R1.14 CC1(C)CCCN1 AMY17888 [0,1,0,1,0,0|1,0,1]=4 822 B7R1.14 CC1(C)CCNC1 AM20090533 [0,1,0,1,0,0|1,0,1]=4 823 B7R1.14 CC1(C)CCNC1 AMY33663 [0,1,0,1,0,0|1,0,1]=4 824 B7R1.14 CC1(C)NCCO1 AMY42458 [0,1,0,1,0,0|0,0,2]=4 825 B7R1.14 CC1(C)NCCS1 AMY2745 [0,1,0,1,0,0|0,1,1]=4 826 B7R1.14 CC1(N)CCCC1 AM808157 [0,1,0,1,0,0|1,0,1]=4 827 B7R1.14 CC1(O)CCCC1 AMY25573 [0,1,0,1,0,0|1,0,1]=4 828 B7R1.14 C[C@@]1(O)CCNC1 AMY34411 [0,1,0,1,0,0|1,0,1]=4 829 B7R1.14 C[C@]1(N)CCNC1 AM20080696 [0,1,0,1,0,0|1,0,1]=4 830 B7R1.14 C[C@]1(N)CCOC1 AMY33678 [0,1,0,1,0,0|0,0,2]=4 831 B7R1.14 C[C@]1(O)CCNC1 AM20080194 [0,1,0,1,0,0|1,0,1]=4 832 B7R1.14 C[C@]1(O)CCNC1 AMY19290 [0,1,0,1,0,0|1,0,1]=4 833 B7R1.26 CC(C)(N)C1CC1 AM806463 [0,1,0,1,0,0|1,0,1]=4 834 B7R2.11 C1NC2CC1C2 AM803737 [0,0,0,2,0,0|1,0,1]=4 835 B7R2.11 C1NC2CC1C2 AMY33557 [0,0,0,2,0,0|1,0,1]=4 836 B7R2.13 C1CC2CC2N1 AM803615 [0,0,0,2,0,0|1,0,1]=4 837 B7R2.13 C1NCC2CC12 AM803636 [0,0,0,2,0,0|1,0,1]=4 838 B7R2.13 C1NCC2CC12 AMY5587 [0,0,0,2,0,0|1,0,1]=4 839 B7R2.16 C1CC12CNC2 AMY35007 [0,0,0,2,0,0|2,0,0]=4 840 B7R2.5 NC12CC(C1)C2 AMY14689 [0,0,0,2,0,0|1,0,1]=4 841 B7R2.5 OC12CC(C1)C2 AMY35835 [0,0,0,2,0,0|0,0,2]=4