0 B5R0.3 C(C(=O)CBr)Br D139292 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 C(C(=O)NN)O H192943 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 C(C(C=O)O)O D134978 [0,0,0,0,0,0|0,0,2]=2 3 B5R0.3 C(C(C=O)O)O D589509 [0,0,0,0,0,0|0,0,2]=2 4 B5R0.3 C(C(C=O)O)O S138916 [0,0,0,0,0,0|0,0,2]=2 5 B5R0.3 C(C(CBr)Br)Br T109520 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.3 C(C(CBr)Br)Cl D469912 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 C(C(CBr)Br)N D487237 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.3 C(C(CBr)Br)O D154495 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.3 C(C(CBr)O)Br D100260 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.3 C(C(CBr)O)O B133715 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.3 C(C(CCl)Cl)Cl T128156 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.3 C(C(CCl)Cl)O D154496 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.3 C(C(CCl)O)Cl D110862 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.3 C(C(CCl)O)Cl D110863 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.3 C(C(CCl)O)Cl D357372 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.3 C(C(CCl)O)N S192900 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.3 C(C(CCl)O)O C106058 [0,0,0,0,0,0|1,0,0]=1 18 B5R0.3 C(C(CCl)O)O C106059 [0,0,0,0,0,0|1,0,0]=1 19 B5R0.3 C(C(CCl)O)O C356973 [0,0,0,0,0,0|1,0,0]=1 20 B5R0.3 C(C(CF)O)F D170430 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.3 C(C(CN)O)N D121823 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.3 C(C(CO)N)O A100952 [0,0,0,0,0,0|1,0,0]=1 23 B5R0.3 C(C(CO)N)O A101351 [0,0,0,0,0,0|1,0,0]=1 24 B5R0.3 C(C(CO)O)N A101946 [0,0,0,0,0,0|1,0,0]=1 25 B5R0.3 C(C(CO)O)N A103187 [0,0,0,0,0,0|1,0,0]=1 26 B5R0.3 C(C(CO)O)N A107504 [0,0,0,0,0,0|1,0,0]=1 27 B5R0.3 C(C(CO)O)O G116202 [0,0,0,0,0,0|0,0,0]=0 28 B5R0.3 C(C(CO)O)O G116203 [0,0,0,0,0,0|0,0,0]=0 29 B5R0.3 C(C(CO)O)O G116205 [0,0,0,0,0,0|0,0,0]=0 30 B5R0.3 C(C(CO)O)O G116206 [0,0,0,0,0,0|0,0,0]=0 31 B5R0.3 C(C(CO)O)O G116208 [0,0,0,0,0,0|0,0,0]=0 32 B5R0.3 C(C(CO)O)O G116209 [0,0,0,0,0,0|0,0,0]=0 33 B5R0.3 C(C(CO)O)O G116213 [0,0,0,0,0,0|0,0,0]=0 34 B5R0.3 C(C(CO)O)O G116214 [0,0,0,0,0,0|0,0,0]=0 35 B5R0.3 C(C(CO)O)O G116215 [0,0,0,0,0,0|0,0,0]=0 36 B5R0.3 C(C(CO)O)O G117555 [0,0,0,0,0,0|0,0,0]=0 37 B5R0.3 C(C(CO)O)O G117556 [0,0,0,0,0,0|0,0,0]=0 38 B5R0.3 C(C(CO)O)O G294877 [0,0,0,0,0,0|0,0,0]=0 39 B5R0.3 C(C(CO)O)O G334451 [0,0,0,0,0,0|0,0,0]=0 40 B5R0.3 C(C(CO)O)O G424796 [0,0,0,0,0,0|0,0,0]=0 41 B5R0.3 C(C(CO)O)O G472031 [0,0,0,0,0,0|0,0,0]=0 42 B5R0.3 C(C(CO)O)O G474157 [0,0,0,0,0,0|0,0,0]=0 43 B5R0.3 C(C(CS)O)O T109440 [0,0,0,0,0,0|0,1,0]=1 44 B5R0.3 C(C(CS)O)O T109441 [0,0,0,0,0,0|0,1,0]=1 45 B5R0.3 C(C(CS)O)O T109442 [0,0,0,0,0,0|0,1,0]=1 46 B5R0.3 C(C(CS)O)O T141418 [0,0,0,0,0,0|0,1,0]=1 47 B5R0.3 C(C(CS)S)O D106477 [0,0,0,0,0,0|0,2,0]=2 48 B5R0.3 C(C(CS)S)O D424962 [0,0,0,0,0,0|0,2,0]=2 49 B5R0.3 C=C(CCl)CCl C124660 [0,0,0,0,0,0|3,0,1]=4 50 B5R0.3 C=C(CO)CO M158762 [0,0,0,0,0,0|1,0,1]=2 51 B5R0.3 C=CC(C=C)O P346741 [0,0,0,0,0,0|2,0,2]=4 52 B5R0.3 C=CC(CCl)Cl D155424 [0,0,0,0,0,0|3,0,1]=4 53 B5R0.3 C=CC(CO)O B589259 [0,0,0,0,0,0|1,0,1]=2 54 B5R0.3 CC(CN)CO A483603 [0,0,0,0,0,0|2,0,0]=2 55 B5R0.3 CC(CO)CBr R469876 [0,0,0,0,0,0|2,0,0]=2 56 B5R0.3 CC(CO)CBr S469920 [0,0,0,0,0,0|2,0,0]=2 57 B5R0.3 CC(CO)CO M141411 [0,0,0,0,0,0|1,0,0]=1 58 B5R0.3 CC(CO)OC R194193 [0,0,0,0,0,0|3,0,0]=3 59 B5R0.3 CCC(=C)CC E156179 [0,0,0,0,0,0|3,0,1]=4 60 B5R0.3 CCC(=NO)C B105233 [0,0,0,0,0,0|3,0,1]=4 61 B5R0.3 CCC(=NO)N P138620 [0,0,0,0,0,0|3,0,1]=4 62 B5R0.3 CCC(=O)CC P103791 [0,0,0,0,0,0|2,0,2]=4 63 B5R0.3 CCC(=O)CC P103792 [0,0,0,0,0,0|2,0,2]=4 64 B5R0.3 CCC(=O)CC P103794 [0,0,0,0,0,0|2,0,2]=4 65 B5R0.3 CCC(=O)CO H193640 [0,0,0,0,0,0|1,0,2]=3 66 B5R0.3 CCC(C#C)O P138822 [0,0,0,0,0,0|2,0,1]=3 67 B5R0.3 CCC(C)C#N M158304 [0,0,0,0,0,0|3,0,1]=4 68 B5R0.3 CCC(C)C=C M158226 [0,0,0,0,0,0|3,0,1]=4 69 B5R0.3 CCC(C)C=O M158687 [0,0,0,0,0,0|2,0,2]=4 70 B5R0.3 CCC(C)CBr B120302 [0,0,0,0,0,0|3,0,0]=3 71 B5R0.3 CCC(C)CBr B188983 [0,0,0,0,0,0|3,0,0]=3 72 B5R0.3 CCC(C)CC M109051 [0,0,0,0,0,0|3,0,0]=3 73 B5R0.3 CCC(C)CC M109052 [0,0,0,0,0,0|3,0,0]=3 74 B5R0.3 CCC(C)CCl C153548 [0,0,0,0,0,0|3,0,0]=3 75 B5R0.3 CCC(C)CCl S160982 [0,0,0,0,0,0|3,0,0]=3 76 B5R0.3 CCC(C)CI I157547 [0,0,0,0,0,0|3,0,0]=3 77 B5R0.3 CCC(C)CN S467250 [0,0,0,0,0,0|3,0,0]=3 78 B5R0.3 CCC(C)CO M106456 [0,0,0,0,0,0|2,0,0]=2 79 B5R0.3 CCC(C)CO M106654 [0,0,0,0,0,0|2,0,0]=2 80 B5R0.3 CCC(C)CS M103069 [0,0,0,0,0,0|2,1,0]=3 81 B5R0.3 CCC(C)OC S161061 [0,0,0,0,0,0|4,0,0]=4 82 B5R0.3 CCC(C=C)O P160532 [0,0,0,0,0,0|2,0,1]=3 83 B5R0.3 CCC(CBr)Br D102336 [0,0,0,0,0,0|3,0,0]=3 84 B5R0.3 CCC(CBr)O B152045 [0,0,0,0,0,0|2,0,0]=2 85 B5R0.3 CCC(CC)Br B106965 [0,0,0,0,0,0|3,0,0]=3 86 B5R0.3 CCC(CC)N A133949 [0,0,0,0,0,0|3,0,0]=3 87 B5R0.3 CCC(CC)O P109359 [0,0,0,0,0,0|2,0,0]=2 88 B5R0.3 CCC(CCl)Cl D155318 [0,0,0,0,0,0|3,0,0]=3 89 B5R0.3 CCC(CN)O A151121 [0,0,0,0,0,0|2,0,0]=2 90 B5R0.3 CCC(CO)N A106025 [0,0,0,0,0,0|2,0,0]=2 91 B5R0.3 CCC(CO)N A107264 [0,0,0,0,0,0|2,0,0]=2 92 B5R0.3 CCC(CO)N A107265 [0,0,0,0,0,0|2,0,0]=2 93 B5R0.3 CCC(CO)O B153217 [0,0,0,0,0,0|1,0,0]=1 94 B5R0.3 CCC(CO)O B300651 [0,0,0,0,0,0|1,0,0]=1 95 B5R0.3 CCC(CO)O R160952 [0,0,0,0,0,0|1,0,0]=1 96 B5R0.3 CCC(CO)O S161003 [0,0,0,0,0,0|1,0,0]=1 97 B5R0.3 CCC(CS)S B152748 [0,0,0,0,0,0|1,2,0]=3 98 B5R0.3 CCN(C)CC N159249 [0,0,0,0,0,0|4,0,0]=4 99 B5R0.3 CCN(CC)O D109383 [0,0,0,0,0,0|3,0,0]=3 100 B5R0.3 CCN(CC)O N432573 [0,0,0,0,0,0|3,0,0]=3 101 B5R0.3 CCS(=O)CC E589941 [0,0,0,0,0,0|3,0,1]=4 102 B5R0.3 CC[P+](=O)CC D332476 [0,0,0,0,0,0|3,0,1]=4 103 B5R0.3 CC[Si](C)CC D337339 [0,0,0,0,0,0|3,1,0]=4 104 B5R0.3 COC(=O)CO M101718 [0,0,0,0,0,0|2,0,2]=4 105 B4R0.1 B(CC)(O)O E120272 [1,0,0,0,0,0|2,0,0]=3 106 B4R0.1 C(C(=O)N)O G102639 [1,0,0,0,0,0|1,0,2]=4 107 B4R0.1 C(C(=O)O)Br B108523 [1,0,0,0,0,0|1,0,2]=4 108 B4R0.1 C(C(=O)O)Br B108524 [1,0,0,0,0,0|1,0,2]=4 109 B4R0.1 C(C(=O)O)Br B108525 [1,0,0,0,0,0|1,0,2]=4 110 B4R0.1 C(C(=O)O)Br B355164 [1,0,0,0,0,0|1,0,2]=4 111 B4R0.1 C(C(=O)O)Br B434194 [1,0,0,0,0,0|1,0,2]=4 112 B4R0.1 C(C(=O)O)Cl C485697 [1,0,0,0,0,0|1,0,2]=4 113 B4R0.1 C(C(=O)O)I I104613 [1,0,0,0,0,0|1,0,2]=4 114 B4R0.1 C(C(=O)O)N A110749 [1,0,0,0,0,0|1,0,2]=4 115 B4R0.1 C(C(=O)O)N A110750 [1,0,0,0,0,0|1,0,2]=4 116 B4R0.1 C(C(=O)O)N A110751 [1,0,0,0,0,0|1,0,2]=4 117 B4R0.1 C(C(=O)O)N A110752 [1,0,0,0,0,0|1,0,2]=4 118 B4R0.1 C(C(=O)O)N A111465 [1,0,0,0,0,0|1,0,2]=4 119 B4R0.1 C(C(=O)O)N A124751 [1,0,0,0,0,0|1,0,2]=4 120 B4R0.1 C(C(=O)O)N A124757 [1,0,0,0,0,0|1,0,2]=4 121 B4R0.1 C(C(=O)O)N A298706 [1,0,0,0,0,0|1,0,2]=4 122 B4R0.1 C(C(=O)O)N B190646 [1,0,0,0,0,0|1,0,2]=4 123 B4R0.1 C(C(=O)O)N B573462 [1,0,0,0,0,0|1,0,2]=4 124 B4R0.1 C(C(=O)O)N G110174 [1,0,0,0,0,0|1,0,2]=4 125 B4R0.1 C(C(=O)O)N G119904 [1,0,0,0,0,0|1,0,2]=4 126 B4R0.1 C(C(=O)O)N G133060 [1,0,0,0,0,0|1,0,2]=4 127 B4R0.1 C(C(=O)O)N G156794 [1,0,0,0,0,0|1,0,2]=4 128 B4R0.1 C(C(=O)O)N G156795 [1,0,0,0,0,0|1,0,2]=4 129 B4R0.1 C(C(=O)O)N G432934 [1,0,0,0,0,0|1,0,2]=4 130 B4R0.1 C(C(=O)O)N G432935 [1,0,0,0,0,0|1,0,2]=4 131 B4R0.1 C(C(=O)O)N G471905 [1,0,0,0,0,0|1,0,2]=4 132 B4R0.1 C(C(=O)O)N G472098 [1,0,0,0,0,0|1,0,2]=4 133 B4R0.1 C(C(=O)O)O G104191 [1,0,0,0,0,0|0,0,2]=3 134 B4R0.1 C(C(=O)O)O G104193 [1,0,0,0,0,0|0,0,2]=3 135 B4R0.1 C(C(=O)O)O G425976 [1,0,0,0,0,0|0,0,2]=3 136 B4R0.1 C(C(=O)O)O G434198 [1,0,0,0,0,0|0,0,2]=3 137 B4R0.1 C(C(=O)O)O G591002 [1,0,0,0,0,0|0,0,2]=3 138 B4R0.1 C(C(=O)O)O N129652 [1,0,0,0,0,0|0,0,2]=3 139 B4R0.1 C(C(=O)O)O N427119 [1,0,0,0,0,0|0,0,2]=3 140 B4R0.1 C(C(=O)O)O P136309 [1,0,0,0,0,0|0,0,2]=3 141 B4R0.1 C(C(=O)O)O P477164 [1,0,0,0,0,0|0,0,2]=3 142 B4R0.1 C(C(=O)O)S T104998 [1,0,0,0,0,0|0,1,2]=4 143 B4R0.1 C(C(=O)O)S T105002 [1,0,0,0,0,0|0,1,2]=4 144 B4R0.1 C(C(=O)O)S T501446 [1,0,0,0,0,0|0,1,2]=4 145 B4R0.1 C(C(=O)[O-])O C154022 [1,0,0,0,0,0|0,0,3]=4 146 B4R0.1 C(C(=O)[O-])O C347797 [1,0,0,0,0,0|0,0,3]=4 147 B4R0.1 C(C(=O)[O-])O S102872 [1,0,0,0,0,0|0,0,3]=4 148 B4R0.1 C(C(Br)Br)Br T162280 [1,0,0,0,0,0|3,0,0]=4 149 B4R0.1 C(C(Cl)Cl)Cl T110587 [1,0,0,0,0,0|3,0,0]=4 150 B4R0.1 C(C(Cl)Cl)Cl T110588 [1,0,0,0,0,0|3,0,0]=4 151 B4R0.1 C(C(Cl)Cl)Cl T110590 [1,0,0,0,0,0|3,0,0]=4 152 B4R0.1 C(C(Cl)Cl)Cl T110591 [1,0,0,0,0,0|3,0,0]=4 153 B4R0.1 C(C(Cl)Cl)O D472528 [1,0,0,0,0,0|2,0,0]=3 154 B4R0.1 C(C(F)F)I I185481 [1,0,0,0,0,0|3,0,0]=4 155 B4R0.1 C(C(F)F)N D155259 [1,0,0,0,0,0|3,0,0]=4 156 B4R0.1 C(C(F)F)O D102785 [1,0,0,0,0,0|2,0,0]=3 157 B4R0.1 C(O)S(=O)[O-] R110955 [1,0,0,0,0,0|1,0,2]=4 158 B4R0.1 C=C(CO)Br B352406 [1,0,0,0,0,0|1,0,2]=4 159 B4R0.1 C=C(CO)Cl C171127 [1,0,0,0,0,0|1,0,2]=4 160 B4R0.1 CC(=C)CBr B101577 [1,0,0,0,0,0|2,0,1]=4 161 B4R0.1 CC(=C)CCl C106528 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.1 CC(=C)CN M158608 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.1 CC(=C)CO M107570 [1,0,0,0,0,0|1,0,1]=3 164 B4R0.1 CC(=NO)C A112746 [1,0,0,0,0,0|2,0,1]=4 165 B4R0.1 CC(=NO)N A151385 [1,0,0,0,0,0|2,0,1]=4 166 B4R0.1 CC(=O)CF F170335 [1,0,0,0,0,0|1,0,2]=4 167 B4R0.1 CC(=O)CN A186558 [1,0,0,0,0,0|1,0,2]=4 168 B4R0.1 CC(=O)CN A485063 [1,0,0,0,0,0|1,0,2]=4 169 B4R0.1 CC(=O)CO H111149 [1,0,0,0,0,0|0,0,2]=3 170 B4R0.1 CC(=O)NO A106239 [1,0,0,0,0,0|1,0,2]=4 171 B4R0.1 CC(C#C)Br B476941 [1,0,0,0,0,0|2,0,1]=4 172 B4R0.1 CC(C#C)N B589081 [1,0,0,0,0,0|2,0,1]=4 173 B4R0.1 CC(C#C)O B106248 [1,0,0,0,0,0|1,0,1]=3 174 B4R0.1 CC(C#C)O B301756 [1,0,0,0,0,0|1,0,1]=3 175 B4R0.1 CC(C#C)O R160842 [1,0,0,0,0,0|1,0,1]=3 176 B4R0.1 CC(C#C)O S161362 [1,0,0,0,0,0|1,0,1]=3 177 B4R0.1 CC(C#N)Br B168276 [1,0,0,0,0,0|2,0,1]=4 178 B4R0.1 CC(C#N)Cl C122640 [1,0,0,0,0,0|2,0,1]=4 179 B4R0.1 CC(C#N)N A186242 [1,0,0,0,0,0|2,0,1]=4 180 B4R0.1 CC(C)C#N I475044 [1,0,0,0,0,0|2,0,1]=4 181 B4R0.1 CC(C)C=O I108291 [1,0,0,0,0,0|1,0,2]=4 182 B4R0.1 CC(C)C=O I108292 [1,0,0,0,0,0|1,0,2]=4 183 B4R0.1 CC(C)C=O I108293 [1,0,0,0,0,0|1,0,2]=4 184 B4R0.1 CC(C)CBr B105783 [1,0,0,0,0,0|2,0,0]=3 185 B4R0.1 CC(C)CCl C106087 [1,0,0,0,0,0|2,0,0]=3 186 B4R0.1 CC(C)CI F118498 [1,0,0,0,0,0|2,0,0]=3 187 B4R0.1 CC(C)CN I103753 [1,0,0,0,0,0|2,0,0]=3 188 B4R0.1 CC(C)CN I103755 [1,0,0,0,0,0|2,0,0]=3 189 B4R0.1 CC(C)CN I103759 [1,0,0,0,0,0|2,0,0]=3 190 B4R0.1 CC(C)CN I157488 [1,0,0,0,0,0|2,0,0]=3 191 B4R0.1 CC(C)CN I157494 [1,0,0,0,0,0|2,0,0]=3 192 B4R0.1 CC(C)CN I157655 [1,0,0,0,0,0|2,0,0]=3 193 B4R0.1 CC(C)CO M103311 [1,0,0,0,0,0|1,0,0]=2 194 B4R0.1 CC(C)CO M103312 [1,0,0,0,0,0|1,0,0]=2 195 B4R0.1 CC(C)CO M103313 [1,0,0,0,0,0|1,0,0]=2 196 B4R0.1 CC(C)CO M103314 [1,0,0,0,0,0|1,0,0]=2 197 B4R0.1 CC(C)CO M103315 [1,0,0,0,0,0|1,0,0]=2 198 B4R0.1 CC(C)CO M103316 [1,0,0,0,0,0|1,0,0]=2 199 B4R0.1 CC(C)CO M103317 [1,0,0,0,0,0|1,0,0]=2 200 B4R0.1 CC(C)CO M359227 [1,0,0,0,0,0|1,0,0]=2 201 B4R0.1 CC(C)CS M102325 [1,0,0,0,0,0|1,1,0]=3 202 B4R0.1 CC(C)NC I124664 [1,0,0,0,0,0|3,0,0]=4 203 B4R0.1 CC(C)NN I157577 [1,0,0,0,0,0|3,0,0]=4 204 B4R0.1 CC(C)NO N159552 [1,0,0,0,0,0|2,0,0]=3 205 B4R0.1 CC(C)SC I132403 [1,0,0,0,0,0|3,0,0]=4 206 B4R0.1 CC(C=C)Cl C163038 [1,0,0,0,0,0|2,0,1]=4 207 B4R0.1 CC(C=C)O B152755 [1,0,0,0,0,0|1,0,1]=3 208 B4R0.1 CC(CBr)Br D106539 [1,0,0,0,0,0|2,0,0]=3 209 B4R0.1 CC(CBr)O B152044 [1,0,0,0,0,0|1,0,0]=2 210 B4R0.1 CC(CCl)Cl D108186 [1,0,0,0,0,0|2,0,0]=3 211 B4R0.1 CC(CCl)Cl D108187 [1,0,0,0,0,0|2,0,0]=3 212 B4R0.1 CC(CCl)Cl D108188 [1,0,0,0,0,0|2,0,0]=3 213 B4R0.1 CC(CCl)Cl D128131 [1,0,0,0,0,0|2,0,0]=3 214 B4R0.1 CC(CCl)O C113556 [1,0,0,0,0,0|1,0,0]=2 215 B4R0.1 CC(CCl)O R191807 [1,0,0,0,0,0|1,0,0]=2 216 B4R0.1 CC(CCl)O S189129 [1,0,0,0,0,0|1,0,0]=2 217 B4R0.1 CC(CN)N I131828 [1,0,0,0,0,0|2,0,0]=3 218 B4R0.1 CC(CN)N P103897 [1,0,0,0,0,0|2,0,0]=3 219 B4R0.1 CC(CN)N P121635 [1,0,0,0,0,0|2,0,0]=3 220 B4R0.1 CC(CN)O A108441 [1,0,0,0,0,0|1,0,0]=2 221 B4R0.1 CC(CN)O A108442 [1,0,0,0,0,0|1,0,0]=2 222 B4R0.1 CC(CN)O A278622 [1,0,0,0,0,0|1,0,0]=2 223 B4R0.1 CC(CN)O A299438 [1,0,0,0,0,0|1,0,0]=2 224 B4R0.1 CC(CN)O I157481 [1,0,0,0,0,0|1,0,0]=2 225 B4R0.1 CC(CN)O R160942 [1,0,0,0,0,0|1,0,0]=2 226 B4R0.1 CC(CN)O S161024 [1,0,0,0,0,0|1,0,0]=2 227 B4R0.1 CC(CO)Cl S138418 [1,0,0,0,0,0|1,0,0]=2 228 B4R0.1 CC(CO)N A109243 [1,0,0,0,0,0|1,0,0]=2 229 B4R0.1 CC(CO)N A117128 [1,0,0,0,0,0|1,0,0]=2 230 B4R0.1 CC(CO)N A117165 [1,0,0,0,0,0|1,0,0]=2 231 B4R0.1 CC(CO)O P101749 [1,0,0,0,0,0|0,0,0]=1 232 B4R0.1 CC(CO)O P101750 [1,0,0,0,0,0|0,0,0]=1 233 B4R0.1 CC(CO)O P103429 [1,0,0,0,0,0|0,0,0]=1 234 B4R0.1 CC(CO)O P103430 [1,0,0,0,0,0|0,0,0]=1 235 B4R0.1 CC(CO)O P103433 [1,0,0,0,0,0|0,0,0]=1 236 B4R0.1 CC(CO)O P103434 [1,0,0,0,0,0|0,0,0]=1 237 B4R0.1 CC(CO)O P424846 [1,0,0,0,0,0|0,0,0]=1 238 B4R0.1 CC(CS)S P160528 [1,0,0,0,0,0|0,2,0]=3 239 B4R0.1 CCC(=O)C B471974 [1,0,0,0,0,0|1,0,2]=4 240 B4R0.1 CCC(=O)O P110443 [1,0,0,0,0,0|1,0,2]=4 241 B4R0.1 CCC(=O)O P110444 [1,0,0,0,0,0|1,0,2]=4 242 B4R0.1 CCC(=O)O P110445 [1,0,0,0,0,0|1,0,2]=4 243 B4R0.1 CCC(=O)O P110446 [1,0,0,0,0,0|1,0,2]=4 244 B4R0.1 CCC(=O)O P110447 [1,0,0,0,0,0|1,0,2]=4 245 B4R0.1 CCC(=O)O P301795 [1,0,0,0,0,0|1,0,2]=4 246 B4R0.1 CCC(=O)O P343294 [1,0,0,0,0,0|1,0,2]=4 247 B4R0.1 CCC(=O)O P346208 [1,0,0,0,0,0|1,0,2]=4 248 B4R0.1 CCC(=O)O P434195 [1,0,0,0,0,0|1,0,2]=4 249 B4R0.1 CCC(C)Br B109117 [1,0,0,0,0,0|2,0,0]=3 250 B4R0.1 CCC(C)Br B109118 [1,0,0,0,0,0|2,0,0]=3 251 B4R0.1 CCC(C)Cl C109267 [1,0,0,0,0,0|2,0,0]=3 252 B4R0.1 CCC(C)Cl C109268 [1,0,0,0,0,0|2,0,0]=3 253 B4R0.1 CCC(C)I B105795 [1,0,0,0,0,0|2,0,0]=3 254 B4R0.1 CCC(C)N B105239 [1,0,0,0,0,0|2,0,0]=3 255 B4R0.1 CCC(C)N I166970 [1,0,0,0,0,0|2,0,0]=3 256 B4R0.1 CCC(C)N S161321 [1,0,0,0,0,0|2,0,0]=3 257 B4R0.1 CCC(C)O B110360 [1,0,0,0,0,0|1,0,0]=2 258 B4R0.1 CCC(C)O B110361 [1,0,0,0,0,0|1,0,0]=2 259 B4R0.1 CCC(C)O B110362 [1,0,0,0,0,0|1,0,0]=2 260 B4R0.1 CCC(C)O B110365 [1,0,0,0,0,0|1,0,0]=2 261 B4R0.1 CCC(C)O R138264 [1,0,0,0,0,0|1,0,0]=2 262 B4R0.1 CCC(C)O S138824 [1,0,0,0,0,0|1,0,0]=2 263 B4R0.1 CCC(C)S B102330 [1,0,0,0,0,0|1,1,0]=3 264 B4R0.1 CCC(Cl)Cl D469688 [1,0,0,0,0,0|3,0,0]=4 265 B4R0.1 CC[Si](C)C E194931 [1,0,0,0,0,0|2,1,0]=4 266 B4R0.1 C[Si](C)CCl C357376 [1,0,0,0,0,0|2,1,0]=4 267 B4R0.2 C#CCCBr B151807 [1,0,0,0,0,0|2,0,1]=4 268 B4R0.2 C#CCCN B195517 [1,0,0,0,0,0|2,0,1]=4 269 B4R0.2 C#CCCO B106249 [1,0,0,0,0,0|1,0,1]=3 270 B4R0.2 C(C=CO)Cl R303195 [1,0,0,0,0,0|1,0,2]=4 271 B4R0.2 C(CBr)C#N B106916 [1,0,0,0,0,0|2,0,1]=4 272 B4R0.2 C(CBr)CBr D104777 [1,0,0,0,0,0|2,0,0]=3 273 B4R0.2 C(CBr)CBr D104778 [1,0,0,0,0,0|2,0,0]=3 274 B4R0.2 C(CCl)C#N C141146 [1,0,0,0,0,0|2,0,1]=4 275 B4R0.2 C(CCl)C#N C298757 [1,0,0,0,0,0|2,0,1]=4 276 B4R0.2 C(CCl)CBr B105780 [1,0,0,0,0,0|2,0,0]=3 277 B4R0.2 C(CCl)CCl D109184 [1,0,0,0,0,0|2,0,0]=3 278 B4R0.2 C(CCl)CCl D109185 [1,0,0,0,0,0|2,0,0]=3 279 B4R0.2 C(CCl)CCl D113099 [1,0,0,0,0,0|2,0,0]=3 280 B4R0.2 C(CCl)CCl D128142 [1,0,0,0,0,0|2,0,0]=3 281 B4R0.2 C(CCl)CCl D140761 [1,0,0,0,0,0|2,0,0]=3 282 B4R0.2 C(CCl)CI C153543 [1,0,0,0,0,0|2,0,0]=3 283 B4R0.2 C(CF)CBr B303518 [1,0,0,0,0,0|2,0,0]=3 284 B4R0.2 C(CF)CI I184641 [1,0,0,0,0,0|2,0,0]=3 285 B4R0.2 C(CI)CI D139104 [1,0,0,0,0,0|2,0,0]=3 286 B4R0.2 C(CN)C#N A107499 [1,0,0,0,0,0|2,0,1]=4 287 B4R0.2 C(CN)CBr B106915 [1,0,0,0,0,0|2,0,0]=3 288 B4R0.2 C(CN)CCl C102474 [1,0,0,0,0,0|2,0,0]=3 289 B4R0.2 C(CN)CN B151838 [1,0,0,0,0,0|2,0,0]=3 290 B4R0.2 C(CN)CN D154662 [1,0,0,0,0,0|2,0,0]=3 291 B4R0.2 C(CN)CN D155613 [1,0,0,0,0,0|2,0,0]=3 292 B4R0.2 C(CN)CN D155681 [1,0,0,0,0,0|2,0,0]=3 293 B4R0.2 C(CN)CN P103898 [1,0,0,0,0,0|2,0,0]=3 294 B4R0.2 C(CN)CN P492915 [1,0,0,0,0,0|2,0,0]=3 295 B4R0.2 C(CN)CN P494086 [1,0,0,0,0,0|2,0,0]=3 296 B4R0.2 C(CN)CO A106068 [1,0,0,0,0,0|1,0,0]=2 297 B4R0.2 C(CN)CO A106069 [1,0,0,0,0,0|1,0,0]=2 298 B4R0.2 C(CN)CO A151629 [1,0,0,0,0,0|1,0,0]=2 299 B4R0.2 C(CN)CO A299064 [1,0,0,0,0,0|1,0,0]=2 300 B4R0.2 C(CN)CS A476835 [1,0,0,0,0,0|1,1,0]=3 301 B4R0.2 C(CO)C#N H109415 [1,0,0,0,0,0|1,0,1]=3 302 B4R0.2 C(CO)C=O H588118 [1,0,0,0,0,0|0,0,2]=3 303 B4R0.2 C(CO)CBr B108055 [1,0,0,0,0,0|1,0,0]=2 304 B4R0.2 C(CO)CBr B140136 [1,0,0,0,0,0|1,0,0]=2 305 B4R0.2 C(CO)CCl C109471 [1,0,0,0,0,0|1,0,0]=2 306 B4R0.2 C(CO)CF F404475 [1,0,0,0,0,0|1,0,0]=2 307 B4R0.2 C(CO)CI I139105 [1,0,0,0,0,0|1,0,0]=2 308 B4R0.2 C(CO)CO P108206 [1,0,0,0,0,0|0,0,0]=1 309 B4R0.2 C(CO)CO P108207 [1,0,0,0,0,0|0,0,0]=1 310 B4R0.2 C(CO)CO P108208 [1,0,0,0,0,0|0,0,0]=1 311 B4R0.2 C(CO)CO P432773 [1,0,0,0,0,0|0,0,0]=1 312 B4R0.2 C(CO)CS M158215 [1,0,0,0,0,0|0,1,0]=2 313 B4R0.2 C(CO)NN H113414 [1,0,0,0,0,0|2,0,0]=3 314 B4R0.2 C(CON)N A193083 [1,0,0,0,0,0|3,0,0]=4 315 B4R0.2 C(CS)C#N M302020 [1,0,0,0,0,0|1,1,1]=4 316 B4R0.2 C(CS)CS P100845 [1,0,0,0,0,0|0,2,0]=3 317 B4R0.2 C=CCCBr B106906 [1,0,0,0,0,0|2,0,1]=4 318 B4R0.2 C=CCCCl C405543 [1,0,0,0,0,0|2,0,1]=4 319 B4R0.2 C=CCCN B167997 [1,0,0,0,0,0|2,0,1]=4 320 B4R0.2 C=CCCO B120318 [1,0,0,0,0,0|1,0,1]=3 321 B4R0.2 CC#CCO B111064 [1,0,0,0,0,0|1,0,2]=4 322 B4R0.2 CC=CCO C106252 [1,0,0,0,0,0|1,0,2]=4 323 B4R0.2 CCCC=O B100299 [1,0,0,0,0,0|1,0,2]=4 324 B4R0.2 CCCC=O B100302 [1,0,0,0,0,0|1,0,2]=4 325 B4R0.2 CCCC=O B305593 [1,0,0,0,0,0|1,0,2]=4 326 B4R0.2 CCCCBr B105250 [1,0,0,0,0,0|2,0,0]=3 327 B4R0.2 CCCCBr B105252 [1,0,0,0,0,0|2,0,0]=3 328 B4R0.2 CCCCBr B105256 [1,0,0,0,0,0|2,0,0]=3 329 B4R0.2 CCCCBr B472078 [1,0,0,0,0,0|2,0,0]=3 330 B4R0.2 CCCCCl C103252 [1,0,0,0,0,0|2,0,0]=3 331 B4R0.2 CCCCCl C103253 [1,0,0,0,0,0|2,0,0]=3 332 B4R0.2 CCCCCl C103255 [1,0,0,0,0,0|2,0,0]=3 333 B4R0.2 CCCCCl C103256 [1,0,0,0,0,0|2,0,0]=3 334 B4R0.2 CCCCCl C118434 [1,0,0,0,0,0|2,0,0]=3 335 B4R0.2 CCCCI I108560 [1,0,0,0,0,0|2,0,0]=3 336 B4R0.2 CCCCN B110356 [1,0,0,0,0,0|2,0,0]=3 337 B4R0.2 CCCCN B110357 [1,0,0,0,0,0|2,0,0]=3 338 B4R0.2 CCCCN B110358 [1,0,0,0,0,0|2,0,0]=3 339 B4R0.2 CCCCN B110359 [1,0,0,0,0,0|2,0,0]=3 340 B4R0.2 CCCCN B152519 [1,0,0,0,0,0|2,0,0]=3 341 B4R0.2 CCCCN B152886 [1,0,0,0,0,0|2,0,0]=3 342 B4R0.2 CCCCN B152948 [1,0,0,0,0,0|2,0,0]=3 343 B4R0.2 CCCCN B491792 [1,0,0,0,0,0|2,0,0]=3 344 B4R0.2 CCCCN B492127 [1,0,0,0,0,0|2,0,0]=3 345 B4R0.2 CCCCN B492132 [1,0,0,0,0,0|2,0,0]=3 346 B4R0.2 CCCCN B492157 [1,0,0,0,0,0|2,0,0]=3 347 B4R0.2 CCCCN B494094 [1,0,0,0,0,0|2,0,0]=3 348 B4R0.2 CCCCO B111569 [1,0,0,0,0,0|1,0,0]=2 349 B4R0.2 CCCCO B111571 [1,0,0,0,0,0|1,0,0]=2 350 B4R0.2 CCCCO B111573 [1,0,0,0,0,0|1,0,0]=2 351 B4R0.2 CCCCO B111575 [1,0,0,0,0,0|1,0,0]=2 352 B4R0.2 CCCCO B111577 [1,0,0,0,0,0|1,0,0]=2 353 B4R0.2 CCCCO B111578 [1,0,0,0,0,0|1,0,0]=2 354 B4R0.2 CCCCO B111580 [1,0,0,0,0,0|1,0,0]=2 355 B4R0.2 CCCCO B111581 [1,0,0,0,0,0|1,0,0]=2 356 B4R0.2 CCCCO B119677 [1,0,0,0,0,0|1,0,0]=2 357 B4R0.2 CCCCO B400251 [1,0,0,0,0,0|1,0,0]=2 358 B4R0.2 CCCCO B433378 [1,0,0,0,0,0|1,0,0]=2 359 B4R0.2 CCCCO B474143 [1,0,0,0,0,0|1,0,0]=2 360 B4R0.2 CCCCO H348242 [1,0,0,0,0,0|1,0,0]=2 361 B4R0.2 CCCCO P340766 [1,0,0,0,0,0|1,0,0]=2 362 B4R0.2 CCCCS B105716 [1,0,0,0,0,0|1,1,0]=3 363 B4R0.2 CCCCS B105717 [1,0,0,0,0,0|1,1,0]=3 364 B4R0.2 CCCC[CH2-] P331063 [1,0,0,0,0,0|2,0,0]=3 365 B4R0.2 CCCC[CH2-] P466408 [1,0,0,0,0,0|2,0,0]=3 366 B4R0.2 CCCC[O-] N335856 [1,0,0,0,0,0|1,0,1]=3 367 B4R0.2 CCCC[O-] T104104 [1,0,0,0,0,0|1,0,1]=3 368 B4R0.2 CCCC[O-] T104105 [1,0,0,0,0,0|1,0,1]=3 369 B4R0.2 CCCC[O-] T304454 [1,0,0,0,0,0|1,0,1]=3 370 B4R0.2 CCCC[O-] T350722 [1,0,0,0,0,0|1,0,1]=3 371 B4R0.2 CCCC[O-] Z106334 [1,0,0,0,0,0|1,0,1]=3 372 B4R0.2 CCCNC M124663 [1,0,0,0,0,0|3,0,0]=4 373 B4R0.2 CCCSC M158417 [1,0,0,0,0,0|3,0,0]=4 374 B4R0.2 CCNCC D110465 [1,0,0,0,0,0|3,0,0]=4 375 B4R0.2 CCNCC D110466 [1,0,0,0,0,0|3,0,0]=4 376 B4R0.2 CCNCC D110469 [1,0,0,0,0,0|3,0,0]=4 377 B4R0.2 CCNCC D110470 [1,0,0,0,0,0|3,0,0]=4 378 B4R0.2 CCNCC D154676 [1,0,0,0,0,0|3,0,0]=4 379 B4R0.2 CCNCC D155612 [1,0,0,0,0,0|3,0,0]=4 380 B4R0.2 CCNCC E102892 [1,0,0,0,0,0|3,0,0]=4 381 B4R0.2 CCNCC E102893 [1,0,0,0,0,0|3,0,0]=4 382 B4R0.2 CCOCC B104430 [1,0,0,0,0,0|3,0,0]=4 383 B4R0.2 CCOCC B104431 [1,0,0,0,0,0|3,0,0]=4 384 B4R0.2 CCOCC B299094 [1,0,0,0,0,0|3,0,0]=4 385 B4R0.2 CCOCC B431395 [1,0,0,0,0,0|3,0,0]=4 386 B4R0.2 CCOCC M345280 [1,0,0,0,0,0|3,0,0]=4 387 B4R0.2 CCOCC T189182 [1,0,0,0,0,0|3,0,0]=4 388 B4R0.2 CCOCC T498340 [1,0,0,0,0,0|3,0,0]=4 389 B4R0.2 CCOCCl C137178 [1,0,0,0,0,0|3,0,0]=4 390 B4R0.2 CCSCC C130098 [1,0,0,0,0,0|3,0,0]=4 391 B4R0.2 CCSCC D105796 [1,0,0,0,0,0|3,0,0]=4 392 B4R0.2 CC[N-]CC L283253 [1,0,0,0,0,0|3,0,0]=4 393 B4R0.2 CC[Si]CC D331180 [1,0,0,0,0,0|2,1,0]=4 394 B4R0.2 CNCCBr B589001 [1,0,0,0,0,0|3,0,0]=4 395 B4R0.2 CNCCCl M303747 [1,0,0,0,0,0|3,0,0]=4 396 B4R0.2 CNCCN N159347 [1,0,0,0,0,0|3,0,0]=4 397 B4R0.2 CNCCO M106448 [1,0,0,0,0,0|2,0,0]=3 398 B4R0.2 CNCCO M589702 [1,0,0,0,0,0|2,0,0]=3 399 B4R0.2 COCCBr B139139 [1,0,0,0,0,0|3,0,0]=4 400 B4R0.2 COCCCl C108060 [1,0,0,0,0,0|3,0,0]=4 401 B4R0.2 COCCN M138018 [1,0,0,0,0,0|3,0,0]=4 402 B4R0.2 COCCN M404735 [1,0,0,0,0,0|3,0,0]=4 403 B4R0.2 COCCN M493557 [1,0,0,0,0,0|3,0,0]=4 404 B4R0.2 COCCO M102852 [1,0,0,0,0,0|2,0,0]=3 405 B4R0.2 COCCO M102853 [1,0,0,0,0,0|2,0,0]=3 406 B4R0.2 COCCO M102854 [1,0,0,0,0,0|2,0,0]=3 407 B4R0.2 COCCO M102855 [1,0,0,0,0,0|2,0,0]=3 408 B4R0.2 COCCO M102856 [1,0,0,0,0,0|2,0,0]=3 409 B4R0.2 COCCO M102857 [1,0,0,0,0,0|2,0,0]=3 410 B4R0.2 COCCO M102858 [1,0,0,0,0,0|2,0,0]=3 411 B4R0.2 COCCO M119725 [1,0,0,0,0,0|2,0,0]=3 412 B4R0.2 CSCCCl C153648 [1,0,0,0,0,0|3,0,0]=4 413 B4R0.2 CSCCN M113671 [1,0,0,0,0,0|3,0,0]=4 414 B4R0.2 CSCCN M194629 [1,0,0,0,0,0|3,0,0]=4 415 B4R0.2 CSCCO M138946 [1,0,0,0,0,0|2,0,0]=3 416 B6R0.1 C(C#N)C(CCl)O C123021 [0,1,0,0,0,0|2,0,0]=3 417 B6R0.1 C(C#N)C(CCl)O S190446 [0,1,0,0,0,0|2,0,0]=3 418 B6R0.1 C(C(=O)NCO)Cl C169257 [0,1,0,0,0,0|1,0,2]=4 419 B6R0.1 C(CO)C(CO)O B105549 [0,1,0,0,0,0|0,0,0]=1 420 B6R0.1 C(CO)C(CO)O B118474 [0,1,0,0,0,0|0,0,0]=1 421 B6R0.1 C(CO)C(CO)O R472595 [0,1,0,0,0,0|0,0,0]=1 422 B6R0.1 C(CO)C(CO)O S102777 [0,1,0,0,0,0|0,0,0]=1 423 B6R0.1 CC(CCO)OC M102190 [0,1,0,0,0,0|3,0,0]=4 424 B6R0.1 CC(COC)OC D155537 [0,1,0,0,0,0|3,0,0]=4 425 B6R0.1 CCC(C)OCC S161060 [0,1,0,0,0,0|3,0,0]=4 426 B6R0.1 CCC(CC#C)O H157361 [0,1,0,0,0,0|2,0,0]=3 427 B6R0.1 CCC(CCN)N D155073 [0,1,0,0,0,0|3,0,0]=4 428 B6R0.1 CCC(COC)N A151357 [0,1,0,0,0,0|2,0,0]=3 429 B6R0.1 CCC(COC)O M158749 [0,1,0,0,0,0|1,0,0]=2 430 B6R0.1 CCCC(C#C)O H101580 [0,1,0,0,0,0|2,0,1]=4 431 B6R0.1 CCCC(C)CC M158521 [0,1,0,0,0,0|3,0,0]=4 432 B6R0.1 CCCC(C)CO M113625 [0,1,0,0,0,0|2,0,0]=3 433 B6R0.1 CCCC(C=C)O H157268 [0,1,0,0,0,0|2,0,1]=4 434 B6R0.1 CCCC(CC)Br B152444 [0,1,0,0,0,0|3,0,0]=4 435 B6R0.1 CCCC(CC)Cl C153662 [0,1,0,0,0,0|3,0,0]=4 436 B6R0.1 CCCC(CC)O H133955 [0,1,0,0,0,0|2,0,0]=3 437 B6R0.1 CCCC(CO)N D333561 [0,1,0,0,0,0|2,0,0]=3 438 B6R0.1 CCCC(CO)N I168777 [0,1,0,0,0,0|2,0,0]=3 439 B6R0.1 CCCC(CO)O P108068 [0,1,0,0,0,0|1,0,0]=2 440 B6R0.1 CCOC(=O)CO E101730 [0,1,0,0,0,0|1,0,2]=4 441 B6R0.1 CNCC(CO)O M157918 [0,1,0,0,0,0|1,0,0]=2 442 B6R0.1 COCC(CCl)O C153895 [0,1,0,0,0,0|1,0,0]=2 443 B6R0.1 COCC(CN)O A479789 [0,1,0,0,0,0|1,0,0]=2 444 B6R0.1 COCC(CO)O M135227 [0,1,0,0,0,0|0,0,0]=1 445 B6R0.3 B(C(C)CC)(O)O B120306 [0,1,0,0,0,0|3,0,0]=4 446 B6R0.3 C(C(=O)C(=O)O)O H276063 [0,1,0,0,0,0|0,0,3]=4 447 B6R0.3 C(C(C(=O)N)N)O S134102 [0,1,0,0,0,0|1,0,2]=4 448 B6R0.3 C(C(C(=O)O)Br)Br D155446 [0,1,0,0,0,0|2,0,1]=4 449 B6R0.3 C(C(C(=O)O)N)Cl C153754 [0,1,0,0,0,0|2,0,1]=4 450 B6R0.3 C(C(C(=O)O)N)Cl C341469 [0,1,0,0,0,0|2,0,1]=4 451 B6R0.3 C(C(C(=O)O)N)N D102444 [0,1,0,0,0,0|2,0,1]=4 452 B6R0.3 C(C(C(=O)O)N)N D102445 [0,1,0,0,0,0|2,0,1]=4 453 B6R0.3 C(C(C(=O)O)N)N O105987 [0,1,0,0,0,0|2,0,1]=4 454 B6R0.3 C(C(C(=O)O)N)N S161147 [0,1,0,0,0,0|2,0,1]=4 455 B6R0.3 C(C(C(=O)O)N)O D423121 [0,1,0,0,0,0|1,0,1]=3 456 B6R0.3 C(C(C(=O)O)N)O D423225 [0,1,0,0,0,0|1,0,1]=3 457 B6R0.3 C(C(C(=O)O)N)O L424779 [0,1,0,0,0,0|1,0,1]=3 458 B6R0.3 C(C(C(=O)O)N)O L476400 [0,1,0,0,0,0|1,0,1]=3 459 B6R0.3 C(C(C(=O)O)N)O S103483 [0,1,0,0,0,0|1,0,1]=3 460 B6R0.3 C(C(C(=O)O)N)O S105977 [0,1,0,0,0,0|1,0,1]=3 461 B6R0.3 C(C(C(=O)O)N)O S108219 [0,1,0,0,0,0|1,0,1]=3 462 B6R0.3 C(C(C(=O)O)N)O S118658 [0,1,0,0,0,0|1,0,1]=3 463 B6R0.3 C(C(C(=O)O)N)O S137887 [0,1,0,0,0,0|1,0,1]=3 464 B6R0.3 C(C(C(=O)O)N)O S137888 [0,1,0,0,0,0|1,0,1]=3 465 B6R0.3 C(C(C(=O)O)N)O S432938 [0,1,0,0,0,0|1,0,1]=3 466 B6R0.3 C(C(C(=O)O)N)S C108237 [0,1,0,0,0,0|1,1,1]=4 467 B6R0.3 C(C(C(=O)O)N)S C108238 [0,1,0,0,0,0|1,1,1]=4 468 B6R0.3 C(C(C(=O)O)N)S C110184 [0,1,0,0,0,0|1,1,1]=4 469 B6R0.3 C(C(C(=O)O)N)S C110436 [0,1,0,0,0,0|1,1,1]=4 470 B6R0.3 C(C(C(=O)O)N)S C110437 [0,1,0,0,0,0|1,1,1]=4 471 B6R0.3 C(C(C(=O)O)N)S C113143 [0,1,0,0,0,0|1,1,1]=4 472 B6R0.3 C(C(C(=O)O)N)S C118575 [0,1,0,0,0,0|1,1,1]=4 473 B6R0.3 C(C(C(=O)O)N)S D304972 [0,1,0,0,0,0|1,1,1]=4 474 B6R0.3 C(C(C(=O)O)N)S L424532 [0,1,0,0,0,0|1,1,1]=4 475 B6R0.3 C(C(C(=O)O)N)S L424534 [0,1,0,0,0,0|1,1,1]=4 476 B6R0.3 C(C(C(=O)O)N)S L432833 [0,1,0,0,0,0|1,1,1]=4 477 B6R0.3 C(C(C(=O)O)N)S S161428 [0,1,0,0,0,0|1,1,1]=4 478 B6R0.3 C(C(C(=O)O)N)S S588042 [0,1,0,0,0,0|1,1,1]=4 479 B6R0.3 C(C(C(=O)O)O)N I123583 [0,1,0,0,0,0|1,0,1]=3 480 B6R0.3 C(C(C(=O)O)O)N S137278 [0,1,0,0,0,0|1,0,1]=3 481 B6R0.3 C(C(C(=O)O)O)O D278734 [0,1,0,0,0,0|0,0,1]=2 482 B6R0.3 CC(C(CO)N)O S134976 [0,1,0,0,0,0|1,0,0]=2 483 B6R0.3 CC(C(CO)N)O T117147 [0,1,0,0,0,0|1,0,0]=2 484 B6R0.3 CC(C(CO)O)O B152043 [0,1,0,0,0,0|0,0,0]=1 485 B6R0.3 CC(C)C(CO)N S160983 [0,1,0,0,0,0|2,0,0]=3 486 B6R0.3 CC(C)C(CO)N V117153 [0,1,0,0,0,0|2,0,0]=3 487 B6R0.3 CC(C)C(CO)N V118431 [0,1,0,0,0,0|2,0,0]=3 488 B6R0.3 CC(CBr)C(=O)O B135992 [0,1,0,0,0,0|2,0,1]=4 489 B6R0.3 CC(CN)C(=O)O D131745 [0,1,0,0,0,0|2,0,1]=4 490 B6R0.3 CC(CN)C(=O)O R340811 [0,1,0,0,0,0|2,0,1]=4 491 B6R0.3 CC(CN)C(=O)O S340803 [0,1,0,0,0,0|2,0,1]=4 492 B6R0.3 CC(CO)C(=O)O R343446 [0,1,0,0,0,0|1,0,1]=3 493 B6R0.3 CC(CS)C(=O)O M158216 [0,1,0,0,0,0|1,1,1]=4 494 B6R0.3 CCC(C(=O)O)Br B108037 [0,1,0,0,0,0|2,0,1]=4 495 B6R0.3 CCC(C(=O)O)Cl C153465 [0,1,0,0,0,0|2,0,1]=4 496 B6R0.3 CCC(C(=O)O)Cl S161173 [0,1,0,0,0,0|2,0,1]=4 497 B6R0.3 CCC(C(=O)O)N A109788 [0,1,0,0,0,0|2,0,1]=4 498 B6R0.3 CCC(C(=O)O)N A111241 [0,1,0,0,0,0|2,0,1]=4 499 B6R0.3 CCC(C(=O)O)N A111260 [0,1,0,0,0,0|2,0,1]=4 500 B6R0.3 CCC(C(=O)O)N A414642 [0,1,0,0,0,0|2,0,1]=4 501 B6R0.3 CCC(C(=O)O)N D422924 [0,1,0,0,0,0|2,0,1]=4 502 B6R0.3 CCC(C(=O)O)O D298806 [0,1,0,0,0,0|1,0,1]=3 503 B6R0.3 CCC(C(=O)O)O S192800 [0,1,0,0,0,0|1,0,1]=3 504 B6R0.3 CCC(C(=O)[O-])O H101414 [0,1,0,0,0,0|1,0,2]=4 505 B6R0.3 CCC(C(C)C)O M304012 [0,1,0,0,0,0|2,0,0]=3 506 B6R0.3 CCC(C)C(=O)O I167890 [0,1,0,0,0,0|2,0,1]=4 507 B6R0.3 CCC(C)C(=O)O M107377 [0,1,0,0,0,0|2,0,1]=4 508 B6R0.3 CCC(C)C(C)C D155235 [0,1,0,0,0,0|3,0,0]=4 509 B6R0.3 CCC(C)C(C)C D465563 [0,1,0,0,0,0|3,0,0]=4 510 B6R0.3 [13CH2]([C@@H]([13C](=O)O)[15NH2])O L471826 [0,1,0,0,0,0|1,0,1]=3 511 B6R0.8 C(C(CCl)(Cl)Cl)Cl T162281 [0,1,0,0,0,0|3,0,0]=4 512 B6R0.8 C(C(CO)(F)F)N A587411 [0,1,0,0,0,0|2,0,0]=3 513 B6R0.8 C(C(CO)(F)F)O D184503 [0,1,0,0,0,0|1,0,0]=2 514 B6R0.8 CC(C)(CCl)CCl D155310 [0,1,0,0,0,0|3,0,0]=4 515 B6R0.8 CC(C)(CN)CN D155089 [0,1,0,0,0,0|3,0,0]=4 516 B6R0.8 CC(C)(CO)C=O H304097 [0,1,0,0,0,0|1,0,2]=4 517 B6R0.8 CC(C)(CO)CBr B301654 [0,1,0,0,0,0|2,0,0]=3 518 B6R0.8 CC(C)(CO)CCl C113524 [0,1,0,0,0,0|2,0,0]=3 519 B6R0.8 CC(C)(CO)CO N103689 [0,1,0,0,0,0|1,0,0]=2 520 B6R0.8 CC(C)(CO)CO N306016 [0,1,0,0,0,0|1,0,0]=2 521 B6R0.8 CC(C)(CO)NC M192487 [0,1,0,0,0,0|3,0,0]=4 522 B6R0.8 CC(C)(CO)OC M588252 [0,1,0,0,0,0|3,0,0]=4 523 B6R0.8 CC(CO)(CO)N A106026 [0,1,0,0,0,0|1,0,0]=2 524 B6R0.8 CCC(C)(C#C)O M106691 [0,1,0,0,0,0|2,0,1]=4 525 B6R0.8 CCC(C)(CC)Cl C334524 [0,1,0,0,0,0|3,0,0]=4 526 B6R0.8 CCC(C)(CC)O M102200 [0,1,0,0,0,0|2,0,0]=3 527 B6R0.8 CCP(=O)(CC)O D590241 [0,1,0,0,0,0|3,0,0]=4 528 B6R0.9 C(C(=NO)CO)O D154972 [0,1,0,0,0,0|0,0,1]=2 529 B6R0.9 C(C(CO)CO)O H170489 [0,1,0,0,0,0|0,0,0]=1 530 B6R0.9 CCC(CC)C=O E156502 [0,1,0,0,0,0|2,0,1]=4 531 B6R0.9 CCC(CC)CBr B152449 [0,1,0,0,0,0|3,0,0]=4 532 B6R0.9 CCC(CC)CC E156241 [0,1,0,0,0,0|3,0,0]=4 533 B6R0.9 CCC(CC)CCl C467301 [0,1,0,0,0,0|3,0,0]=4 534 B6R0.9 CCC(CC)CO E109374 [0,1,0,0,0,0|2,0,0]=3 535 B6R0.9 CCC(CO)OC M158746 [0,1,0,0,0,0|1,0,0]=2 536 B6R0.9 CCC(OC)OC P160797 [0,1,0,0,0,0|3,0,0]=4 537 B6R0.9 COC(CBr)OC B100820 [0,1,0,0,0,0|3,0,0]=4 538 B6R0.9 COC(CCl)OC C106494 [0,1,0,0,0,0|3,0,0]=4 539 B6R0.9 COC(CN)OC A107137 [0,1,0,0,0,0|3,0,0]=4 540 B6R0.9 COC(CO)OC G136545 [0,1,0,0,0,0|2,0,0]=3 541 B6R1.2 C1C=CCC1O C141167 [0,0,0,1,0,0|2,0,0]=3 542 B6R1.2 C1CC(OC1)O H355199 [0,0,0,1,0,0|3,0,0]=4 543 B6R1.2 C1CCC(C1)Br C105791 [0,0,0,1,0,0|3,0,0]=4 544 B6R1.2 C1CCC(C1)Cl C153546 [0,0,0,1,0,0|3,0,0]=4 545 B6R1.2 C1CCC(C1)F F156721 [0,0,0,1,0,0|3,0,0]=4 546 B6R1.2 C1CCC(C1)I I167554 [0,0,0,1,0,0|3,0,0]=4 547 B6R1.2 C1CCC(C1)N C111427 [0,0,0,1,0,0|3,0,0]=4 548 B6R1.2 C1CCC(C1)O C110398 [0,0,0,1,0,0|2,0,0]=3 549 B6R1.2 C1CCC(C1)S C106982 [0,0,0,1,0,0|2,1,0]=4 550 B6R1.2 C1CNCC1Br B166798 [0,0,0,1,0,0|3,0,0]=4 551 B6R1.2 C1CNCC1F I167099 [0,0,0,1,0,0|3,0,0]=4 552 B6R1.2 C1CNCC1F I167100 [0,0,0,1,0,0|3,0,0]=4 553 B6R1.2 C1CNCC1N A128215 [0,0,0,1,0,0|3,0,0]=4 554 B6R1.2 C1CNCC1N R115472 [0,0,0,1,0,0|3,0,0]=4 555 B6R1.2 C1CNCC1N S115473 [0,0,0,1,0,0|3,0,0]=4 556 B6R1.2 C1CNCC1O H115463 [0,0,0,1,0,0|2,0,0]=3 557 B6R1.2 C1CNCC1O H187203 [0,0,0,1,0,0|2,0,0]=3 558 B6R1.2 C1CNCC1O P121669 [0,0,0,1,0,0|2,0,0]=3 559 B6R1.2 C1CNCC1O P128587 [0,0,0,1,0,0|2,0,0]=3 560 B6R1.2 C1CNCC1O S115471 [0,0,0,1,0,0|2,0,0]=3 561 B6R1.2 C1CNCC1O S161346 [0,0,0,1,0,0|2,0,0]=3 562 B6R1.2 C1COCC1=O T161567 [0,0,0,1,0,0|1,0,2]=4 563 B6R1.2 C1COCC1Br B175379 [0,0,0,1,0,0|2,0,0]=3 564 B6R1.2 C1COCC1I I172597 [0,0,0,1,0,0|2,0,0]=3 565 B6R1.2 C1COCC1N A120073 [0,0,0,1,0,0|2,0,0]=3 566 B6R1.2 C1COCC1N I165729 [0,0,0,1,0,0|2,0,0]=3 567 B6R1.2 C1COCC1N S135580 [0,0,0,1,0,0|2,0,0]=3 568 B6R1.2 C1COCC1N T123495 [0,0,0,1,0,0|2,0,0]=3 569 B6R1.2 C1COCC1O H107942 [0,0,0,1,0,0|1,0,0]=2 570 B6R1.2 C1COCC1O H110275 [0,0,0,1,0,0|1,0,0]=2 571 B6R1.2 C1COCC1O H119958 [0,0,0,1,0,0|1,0,0]=2 572 B6R1.2 CC1CCCC1 M101586 [0,0,0,1,0,0|3,0,0]=4 573 B6R1.2 CC1CCCC1 M101587 [0,0,0,1,0,0|3,0,0]=4 574 B6R1.2 CC1CCCC1 M101588 [0,0,0,1,0,0|3,0,0]=4 575 B6R1.2 CC1CCNC1 S175305 [0,0,0,1,0,0|3,0,0]=4 576 B6R1.2 CC1CCOC1 M302425 [0,0,0,1,0,0|2,0,0]=3 577 B6R1.2 CC1COCO1 M158513 [0,0,0,1,0,0|3,0,0]=4 578 B6R1.6 C1C(CN1)CO A124078 [0,0,0,1,0,0|2,0,0]=3 579 B6R1.6 C1C(CO1)C=O O173275 [0,0,0,1,0,0|1,0,2]=4 580 B6R1.6 C1C(CO1)CN A171234 [0,0,0,1,0,0|2,0,0]=3 581 B6R1.6 C1C(CO1)CO O176971 [0,0,0,1,0,0|1,0,0]=2 582 B6R1.6 C1CC(C1)CBr B119331 [0,0,0,1,0,0|3,0,0]=4 583 B6R1.6 C1CC(C1)CN C176494 [0,0,0,1,0,0|3,0,0]=4 584 B6R1.6 C1CC(C1)CN C176749 [0,0,0,1,0,0|3,0,0]=4 585 B6R1.6 C1CC(C1)CO C120878 [0,0,0,1,0,0|2,0,0]=3 586 B6R1.6 C1COC1CN S588071 [0,0,0,1,0,0|2,0,0]=3 587 B6R1.6 C1COC1CO H157030 [0,0,0,1,0,0|1,0,0]=2 588 B6R1.6 CNC1COC1 N178478 [0,0,0,1,0,0|3,0,0]=4 589 B6R1.7 C1CC1(CO)N A166142 [0,0,0,1,0,0|2,0,0]=3 590 B6R1.7 CC1(CC1)CO M473138 [0,0,0,1,0,0|2,0,0]=3 591 B6R1.7 CC1(CO1)C=C M115674 [0,0,0,1,0,0|2,0,1]=4 592 B6R1.7 CC1(CO1)CCl C136952 [0,0,0,1,0,0|2,0,0]=3 593 B3R0.1 C(CBr)Cl B106996 [2,0,0,0,0,0|2,0,0]=4 594 B3R0.1 C(CBr)N B109291 [2,0,0,0,0,0|2,0,0]=4 595 B3R0.1 C(CBr)O B111177 [2,0,0,0,0,0|1,0,0]=3 596 B3R0.1 C(CBr)O B111178 [2,0,0,0,0,0|1,0,0]=3 597 B3R0.1 C(CBr)O B136478 [2,0,0,0,0,0|1,0,0]=3 598 B3R0.1 C(CCl)Cl D115109 [2,0,0,0,0,0|2,0,0]=4 599 B3R0.1 C(CCl)Cl D116246 [2,0,0,0,0,0|2,0,0]=4 600 B3R0.1 C(CCl)Cl D116247 [2,0,0,0,0,0|2,0,0]=4 601 B3R0.1 C(CCl)Cl D116248 [2,0,0,0,0,0|2,0,0]=4 602 B3R0.1 C(CCl)Cl D116249 [2,0,0,0,0,0|2,0,0]=4 603 B3R0.1 C(CCl)Cl D116251 [2,0,0,0,0,0|2,0,0]=4 604 B3R0.1 C(CCl)Cl D116253 [2,0,0,0,0,0|2,0,0]=4 605 B3R0.1 C(CCl)Cl D119458 [2,0,0,0,0,0|2,0,0]=4 606 B3R0.1 C(CCl)Cl D128127 [2,0,0,0,0,0|2,0,0]=4 607 B3R0.1 C(CCl)Cl D431341 [2,0,0,0,0,0|2,0,0]=4 608 B3R0.1 C(CCl)N C107599 [2,0,0,0,0,0|2,0,0]=4 609 B3R0.1 C(CF)N F138873 [2,0,0,0,0,0|2,0,0]=4 610 B3R0.1 C(CF)O F110315 [2,0,0,0,0,0|1,0,0]=3 611 B3R0.1 C(CI)Cl C140416 [2,0,0,0,0,0|2,0,0]=4 612 B3R0.1 C(CI)F F194951 [2,0,0,0,0,0|2,0,0]=4 613 B3R0.1 C(CI)I D155311 [2,0,0,0,0,0|2,0,0]=4 614 B3R0.1 C(CI)O I137311 [2,0,0,0,0,0|1,0,0]=3 615 B3R0.1 C(CI)O I575056 [2,0,0,0,0,0|1,0,0]=3 616 B3R0.1 C(CN)N D129174 [2,0,0,0,0,0|2,0,0]=4 617 B3R0.1 C(CN)N D189014 [2,0,0,0,0,0|2,0,0]=4 618 B3R0.1 C(CN)N E108437 [2,0,0,0,0,0|2,0,0]=4 619 B3R0.1 C(CN)N E112132 [2,0,0,0,0,0|2,0,0]=4 620 B3R0.1 C(CN)N E112640 [2,0,0,0,0,0|2,0,0]=4 621 B3R0.1 C(CN)N E112642 [2,0,0,0,0,0|2,0,0]=4 622 B3R0.1 C(CN)N E112643 [2,0,0,0,0,0|2,0,0]=4 623 B3R0.1 C(CN)N E137281 [2,0,0,0,0,0|2,0,0]=4 624 B3R0.1 C(CN)N E156113 [2,0,0,0,0,0|2,0,0]=4 625 B3R0.1 C(CN)N E431349 [2,0,0,0,0,0|2,0,0]=4 626 B3R0.1 C(CN)N E468771 [2,0,0,0,0,0|2,0,0]=4 627 B3R0.1 C(CN)N E472137 [2,0,0,0,0,0|2,0,0]=4 628 B3R0.1 C(CN)N E492758 [2,0,0,0,0,0|2,0,0]=4 629 B3R0.1 C(CN)N E492761 [2,0,0,0,0,0|2,0,0]=4 630 B3R0.1 C(CN)N E492905 [2,0,0,0,0,0|2,0,0]=4 631 B3R0.1 C(CN)N P121256 [2,0,0,0,0,0|2,0,0]=4 632 B3R0.1 C(CO)N A301834 [2,0,0,0,0,0|1,0,0]=3 633 B3R0.1 C(CO)N E103802 [2,0,0,0,0,0|1,0,0]=3 634 B3R0.1 C(CO)N E103806 [2,0,0,0,0,0|1,0,0]=3 635 B3R0.1 C(CO)N E103808 [2,0,0,0,0,0|1,0,0]=3 636 B3R0.1 C(CO)N E103809 [2,0,0,0,0,0|1,0,0]=3 637 B3R0.1 C(CO)N E103810 [2,0,0,0,0,0|1,0,0]=3 638 B3R0.1 C(CO)N E120635 [2,0,0,0,0,0|1,0,0]=3 639 B3R0.1 C(CO)N E292771 [2,0,0,0,0,0|1,0,0]=3 640 B3R0.1 C(CO)N E292783 [2,0,0,0,0,0|1,0,0]=3 641 B3R0.1 C(CO)N E301792 [2,0,0,0,0,0|1,0,0]=3 642 B3R0.1 C(CO)N E422436 [2,0,0,0,0,0|1,0,0]=3 643 B3R0.1 C(CO)N E491883 [2,0,0,0,0,0|1,0,0]=3 644 B3R0.1 C(CO)O E103318 [2,0,0,0,0,0|0,0,0]=2 645 B3R0.1 C(CO)O E103319 [2,0,0,0,0,0|0,0,0]=2 646 B3R0.1 C(CO)O E103321 [2,0,0,0,0,0|0,0,0]=2 647 B3R0.1 C(CO)O E103322 [2,0,0,0,0,0|0,0,0]=2 648 B3R0.1 C(CO)O E103323 [2,0,0,0,0,0|0,0,0]=2 649 B3R0.1 C(CO)O E119700 [2,0,0,0,0,0|0,0,0]=2 650 B3R0.1 C(CO)O E336117 [2,0,0,0,0,0|0,0,0]=2 651 B3R0.1 C(CO)O E431350 [2,0,0,0,0,0|0,0,0]=2 652 B3R0.1 C(CO)O E472164 [2,0,0,0,0,0|0,0,0]=2 653 B3R0.1 C(CS)N C106201 [2,0,0,0,0,0|1,1,0]=4 654 B3R0.1 C(CS)N C106461 [2,0,0,0,0,0|1,1,0]=4 655 B3R0.1 C(CS)N C406662 [2,0,0,0,0,0|1,1,0]=4 656 B3R0.1 C(CS)N C421874 [2,0,0,0,0,0|1,1,0]=4 657 B3R0.1 C(CS)N C425002 [2,0,0,0,0,0|1,1,0]=4 658 B3R0.1 C(CS)N E491887 [2,0,0,0,0,0|1,1,0]=4 659 B3R0.1 C(CS)O M274256 [2,0,0,0,0,0|0,1,0]=3 660 B3R0.1 C(CS)O M301573 [2,0,0,0,0,0|0,1,0]=3 661 B3R0.1 C(CS)O M301574 [2,0,0,0,0,0|0,1,0]=3 662 B3R0.1 C(CS)S E106222 [2,0,0,0,0,0|0,2,0]=4 663 B3R0.1 CC=NO A108687 [2,0,0,0,0,0|1,0,1]=4 664 B3R0.1 CCC=O P100053 [2,0,0,0,0,0|0,0,2]=4 665 B3R0.1 CCC=O P100055 [2,0,0,0,0,0|0,0,2]=4 666 B3R0.1 CCCBr P105781 [2,0,0,0,0,0|1,0,0]=3 667 B3R0.1 CCCBr P105782 [2,0,0,0,0,0|1,0,0]=3 668 B3R0.1 CCCCl C109186 [2,0,0,0,0,0|1,0,0]=3 669 B3R0.1 CCCCl C109187 [2,0,0,0,0,0|1,0,0]=3 670 B3R0.1 CCCI I108561 [2,0,0,0,0,0|1,0,0]=3 671 B3R0.1 CCCN P100388 [2,0,0,0,0,0|1,0,0]=3 672 B3R0.1 CCCN P100389 [2,0,0,0,0,0|1,0,0]=3 673 B3R0.1 CCCN P100390 [2,0,0,0,0,0|1,0,0]=3 674 B3R0.1 CCCN P160475 [2,0,0,0,0,0|1,0,0]=3 675 B3R0.1 CCCN P160642 [2,0,0,0,0,0|1,0,0]=3 676 B3R0.1 CCCN P160706 [2,0,0,0,0,0|1,0,0]=3 677 B3R0.1 CCCN P492083 [2,0,0,0,0,0|1,0,0]=3 678 B3R0.1 CCCN P492097 [2,0,0,0,0,0|1,0,0]=3 679 B3R0.1 CCCN P492100 [2,0,0,0,0,0|1,0,0]=3 680 B3R0.1 CCCO P110342 [2,0,0,0,0,0|0,0,0]=2 681 B3R0.1 CCCO P110343 [2,0,0,0,0,0|0,0,0]=2 682 B3R0.1 CCCO P110345 [2,0,0,0,0,0|0,0,0]=2 683 B3R0.1 CCCO P110346 [2,0,0,0,0,0|0,0,0]=2 684 B3R0.1 CCCO P110347 [2,0,0,0,0,0|0,0,0]=2 685 B3R0.1 CCCO P110348 [2,0,0,0,0,0|0,0,0]=2 686 B3R0.1 CCCO P119680 [2,0,0,0,0,0|0,0,0]=2 687 B3R0.1 CCCO P301085 [2,0,0,0,0,0|0,0,0]=2 688 B3R0.1 CCCO V343786 [2,0,0,0,0,0|0,0,0]=2 689 B3R0.1 CCCS P100008 [2,0,0,0,0,0|0,1,0]=3 690 B3R0.1 CCCS P103444 [2,0,0,0,0,0|0,1,0]=3 691 B3R0.1 CCC[CH2-] B140756 [2,0,0,0,0,0|1,0,0]=3 692 B3R0.1 CCC[CH2-] B465987 [2,0,0,0,0,0|1,0,0]=3 693 B3R0.1 CCC[CH2-] L337344 [2,0,0,0,0,0|1,0,0]=3 694 B3R0.1 CCC[CH2-] N431405 [2,0,0,0,0,0|1,0,0]=3 695 B3R0.1 CCC[CH2-] N466053 [2,0,0,0,0,0|1,0,0]=3 696 B3R0.1 CCC[O-] T349490 [2,0,0,0,0,0|0,0,1]=3 697 B3R0.1 CCC[O-] Z106340 [2,0,0,0,0,0|0,0,1]=3 698 B3R0.1 CCC[S-] S330727 [2,0,0,0,0,0|0,1,0]=3 699 B3R0.1 CCNO N193370 [2,0,0,0,0,0|1,0,0]=3 700 B3R0.1 CCON E135458 [2,0,0,0,0,0|2,0,0]=4 701 B3R0.1 CCSC E140654 [2,0,0,0,0,0|2,0,0]=4 702 B3R0.1 CC[CH-]C D404094 [2,0,0,0,0,0|1,0,1]=4 703 B3R0.1 CC[N-]C T282369 [2,0,0,0,0,0|2,0,0]=4 704 B3R0.1 CC[N-]C T282378 [2,0,0,0,0,0|2,0,0]=4 705 B3R0.1 CC[N-]C T283555 [2,0,0,0,0,0|2,0,0]=4 706 B3R0.1 COCBr B138143 [2,0,0,0,0,0|2,0,0]=4 707 B3R0.1 CSCCl C153265 [2,0,0,0,0,0|2,0,0]=4 708 B3R0.2 B(C)(O)O M120271 [2,0,0,0,0,0|1,0,0]=3 709 B3R0.2 B(O)(O)O B111592 [2,0,0,0,0,0|1,0,0]=3 710 B3R0.2 B(O)(O)O B111594 [2,0,0,0,0,0|1,0,0]=3 711 B3R0.2 B(O)(O)O B111597 [2,0,0,0,0,0|1,0,0]=3 712 B3R0.2 B(O)(O)O B111599 [2,0,0,0,0,0|1,0,0]=3 713 B3R0.2 B(O)(O)O B111601 [2,0,0,0,0,0|1,0,0]=3 714 B3R0.2 B(O)(O)O B111604 [2,0,0,0,0,0|1,0,0]=3 715 B3R0.2 B(O)(O)O B111605 [2,0,0,0,0,0|1,0,0]=3 716 B3R0.2 B(O)(O)O B111606 [2,0,0,0,0,0|1,0,0]=3 717 B3R0.2 B(O)(O)O B140880 [2,0,0,0,0,0|1,0,0]=3 718 B3R0.2 B(O)(O)O B331493 [2,0,0,0,0,0|1,0,0]=3 719 B3R0.2 B(O)(O)O B331494 [2,0,0,0,0,0|1,0,0]=3 720 B3R0.2 B(O)(O)O B335153 [2,0,0,0,0,0|1,0,0]=3 721 B3R0.2 B(O)(O)O B431188 [2,0,0,0,0,0|1,0,0]=3 722 B3R0.2 B(O)(O)O B431189 [2,0,0,0,0,0|1,0,0]=3 723 B3R0.2 B(O)(O)O p117667 [2,0,0,0,0,0|1,0,0]=3 724 B3R0.2 CC(=C)C P304882 [2,0,0,0,0,0|1,0,1]=4 725 B3R0.2 CC(=C)C P304883 [2,0,0,0,0,0|1,0,1]=4 726 B3R0.2 CC(=C)C P304884 [2,0,0,0,0,0|1,0,1]=4 727 B3R0.2 CC(=C)C P304885 [2,0,0,0,0,0|1,0,1]=4 728 B3R0.2 CC(=C)C P418789 [2,0,0,0,0,0|1,0,1]=4 729 B3R0.2 CC(=C)C P418824 [2,0,0,0,0,0|1,0,1]=4 730 B3R0.2 CC(=C)C P418832 [2,0,0,0,0,0|1,0,1]=4 731 B3R0.2 CC(=C)C P418835 [2,0,0,0,0,0|1,0,1]=4 732 B3R0.2 CC(=C)C P418837 [2,0,0,0,0,0|1,0,1]=4 733 B3R0.2 CC(=O)C A100962 [2,0,0,0,0,0|0,0,2]=4 734 B3R0.2 CC(=O)C A100963 [2,0,0,0,0,0|0,0,2]=4 735 B3R0.2 CC(=O)C A100965 [2,0,0,0,0,0|0,0,2]=4 736 B3R0.2 CC(=O)C A123143 [2,0,0,0,0,0|0,0,2]=4 737 B3R0.2 CC(=O)C A399711 [2,0,0,0,0,0|0,0,2]=4 738 B3R0.2 CC(=O)C A399717 [2,0,0,0,0,0|0,0,2]=4 739 B3R0.2 CC(=O)C A399767 [2,0,0,0,0,0|0,0,2]=4 740 B3R0.2 CC(=O)O A111246 [2,0,0,0,0,0|0,0,2]=4 741 B3R0.2 CC(=O)O A111247 [2,0,0,0,0,0|0,0,2]=4 742 B3R0.2 CC(=O)O A112880 [2,0,0,0,0,0|0,0,2]=4 743 B3R0.2 CC(=O)O A116165 [2,0,0,0,0,0|0,0,2]=4 744 B3R0.2 CC(=O)O A116166 [2,0,0,0,0,0|0,0,2]=4 745 B3R0.2 CC(=O)O A116167 [2,0,0,0,0,0|0,0,2]=4 746 B3R0.2 CC(=O)O A116168 [2,0,0,0,0,0|0,0,2]=4 747 B3R0.2 CC(=O)O A116170 [2,0,0,0,0,0|0,0,2]=4 748 B3R0.2 CC(=O)O A116172 [2,0,0,0,0,0|0,0,2]=4 749 B3R0.2 CC(=O)O A116173 [2,0,0,0,0,0|0,0,2]=4 750 B3R0.2 CC(=O)O A116174 [2,0,0,0,0,0|0,0,2]=4 751 B3R0.2 CC(=O)O A121278 [2,0,0,0,0,0|0,0,2]=4 752 B3R0.2 CC(=O)O A140018 [2,0,0,0,0,0|0,0,2]=4 753 B3R0.2 CC(=O)O A140666 [2,0,0,0,0,0|0,0,2]=4 754 B3R0.2 CC(=O)O A197260 [2,0,0,0,0,0|0,0,2]=4 755 B3R0.2 CC(=O)O A291630 [2,0,0,0,0,0|0,0,2]=4 756 B3R0.2 CC(=O)O A298827 [2,0,0,0,0,0|0,0,2]=4 757 B3R0.2 CC(=O)O A433217 [2,0,0,0,0,0|0,0,2]=4 758 B3R0.2 CC(=O)O A433219 [2,0,0,0,0,0|0,0,2]=4 759 B3R0.2 CC(=O)O A433222 [2,0,0,0,0,0|0,0,2]=4 760 B3R0.2 CC(=O)O A433223 [2,0,0,0,0,0|0,0,2]=4 761 B3R0.2 CC(=O)O A471867 [2,0,0,0,0,0|0,0,2]=4 762 B3R0.2 CC(=O)O A579677 [2,0,0,0,0,0|0,0,2]=4 763 B3R0.2 CC(=O)O D347619 [2,0,0,0,0,0|0,0,2]=4 764 B3R0.2 CC(=O)O E196209 [2,0,0,0,0,0|0,0,2]=4 765 B3R0.2 CC(=O)O E300209 [2,0,0,0,0,0|0,0,2]=4 766 B3R0.2 CC(=O)O E433149 [2,0,0,0,0,0|0,0,2]=4 767 B3R0.2 CC(=O)O F100557 [2,0,0,0,0,0|0,0,2]=4 768 B3R0.2 CC(=O)O G347679 [2,0,0,0,0,0|0,0,2]=4 769 B3R0.2 CC(=O)O G475063 [2,0,0,0,0,0|0,0,2]=4 770 B3R0.2 CC(=O)O H119952 [2,0,0,0,0,0|0,0,2]=4 771 B3R0.2 CC(=O)O N106127 [2,0,0,0,0,0|0,0,2]=4 772 B3R0.2 CC(=O)O P196208 [2,0,0,0,0,0|0,0,2]=4 773 B3R0.2 CC(=O)O S100373 [2,0,0,0,0,0|0,0,2]=4 774 B3R0.2 CC(=O)O S378199 [2,0,0,0,0,0|0,0,2]=4 775 B3R0.2 CC(=O)O S431670 [2,0,0,0,0,0|0,0,2]=4 776 B3R0.2 CC(=O)O S431671 [2,0,0,0,0,0|0,0,2]=4 777 B3R0.2 CC(=O)O T192674 [2,0,0,0,0,0|0,0,2]=4 778 B3R0.2 CC(Br)Br D155317 [2,0,0,0,0,0|2,0,0]=4 779 B3R0.2 CC(C)Br B109114 [2,0,0,0,0,0|1,0,0]=3 780 B3R0.2 CC(C)Br B109115 [2,0,0,0,0,0|1,0,0]=3 781 B3R0.2 CC(C)Br B109116 [2,0,0,0,0,0|1,0,0]=3 782 B3R0.2 CC(C)Br B472006 [2,0,0,0,0,0|1,0,0]=3 783 B3R0.2 CC(C)I I105794 [2,0,0,0,0,0|1,0,0]=3 784 B3R0.2 CC(C)N I157489 [2,0,0,0,0,0|1,0,0]=3 785 B3R0.2 CC(C)N I157493 [2,0,0,0,0,0|1,0,0]=3 786 B3R0.2 CC(C)N I157656 [2,0,0,0,0,0|1,0,0]=3 787 B3R0.2 CC(C)N I492112 [2,0,0,0,0,0|1,0,0]=3 788 B3R0.2 CC(C)N I492115 [2,0,0,0,0,0|1,0,0]=3 789 B3R0.2 CC(C)O I112010 [2,0,0,0,0,0|0,0,0]=2 790 B3R0.2 CC(C)O I112011 [2,0,0,0,0,0|0,0,0]=2 791 B3R0.2 CC(C)O I112012 [2,0,0,0,0,0|0,0,0]=2 792 B3R0.2 CC(C)O I112014 [2,0,0,0,0,0|0,0,0]=2 793 B3R0.2 CC(C)O I112015 [2,0,0,0,0,0|0,0,0]=2 794 B3R0.2 CC(C)O I112016 [2,0,0,0,0,0|0,0,0]=2 795 B3R0.2 CC(C)O I112018 [2,0,0,0,0,0|0,0,0]=2 796 B3R0.2 CC(C)O I112020 [2,0,0,0,0,0|0,0,0]=2 797 B3R0.2 CC(C)O I112021 [2,0,0,0,0,0|0,0,0]=2 798 B3R0.2 CC(C)O I112023 [2,0,0,0,0,0|0,0,0]=2 799 B3R0.2 CC(C)O I119459 [2,0,0,0,0,0|0,0,0]=2 800 B3R0.2 CC(C)O I292350 [2,0,0,0,0,0|0,0,0]=2 801 B3R0.2 CC(C)O I434894 [2,0,0,0,0,0|0,0,0]=2 802 B3R0.2 CC(C)O P123720 [2,0,0,0,0,0|0,0,0]=2 803 B3R0.2 CC(C)O P433289 [2,0,0,0,0,0|0,0,0]=2 804 B3R0.2 CC(C)O T162313 [2,0,0,0,0,0|0,0,0]=2 805 B3R0.2 CC(C)O Z302920 [2,0,0,0,0,0|0,0,0]=2 806 B3R0.2 CC(C)S P106796 [2,0,0,0,0,0|0,1,0]=3 807 B3R0.2 CC(C)[CH2-] I114513 [2,0,0,0,0,0|1,0,0]=3 808 B3R0.2 CC(C)[O-] A432901 [2,0,0,0,0,0|0,0,1]=3 809 B3R0.2 CC(C)[O-] C340767 [2,0,0,0,0,0|0,0,1]=3 810 B3R0.2 CC(C)[O-] D283500 [2,0,0,0,0,0|0,0,1]=3 811 B3R0.2 CC(C)[O-] G474536 [2,0,0,0,0,0|0,0,1]=3 812 B3R0.2 CC(C)[O-] L432359 [2,0,0,0,0,0|0,0,1]=3 813 B3R0.2 CC(C)[O-] T105735 [2,0,0,0,0,0|0,0,1]=3 814 B3R0.2 CC(C)[O-] T105736 [2,0,0,0,0,0|0,0,1]=3 815 B3R0.2 CC(C)[O-] Y162990 [2,0,0,0,0,0|0,0,1]=3 816 B3R0.2 CC(C)[O-] Y162991 [2,0,0,0,0,0|0,0,1]=3 817 B3R0.2 CC(Cl)Cl D119825 [2,0,0,0,0,0|2,0,0]=4 818 B3R0.2 CC(Cl)Cl D128120 [2,0,0,0,0,0|2,0,0]=4 819 B3R0.2 CN(C)C S189107 [2,0,0,0,0,0|2,0,0]=4 820 B3R0.2 CN(C)C T103833 [2,0,0,0,0,0|2,0,0]=4 821 B3R0.2 CN(C)C T108428 [2,0,0,0,0,0|2,0,0]=4 822 B3R0.2 CN(C)C T141101 [2,0,0,0,0,0|2,0,0]=4 823 B3R0.2 CN(C)C T298722 [2,0,0,0,0,0|2,0,0]=4 824 B3R0.2 CN(C)C T474133 [2,0,0,0,0,0|2,0,0]=4 825 B3R0.2 CN(C)C T493407 [2,0,0,0,0,0|2,0,0]=4 826 B3R0.2 CP(C)C D138420 [2,0,0,0,0,0|2,0,0]=4 827 B3R0.2 CP(C)O H283157 [2,0,0,0,0,0|1,0,0]=3 828 B3R0.2 CS(=O)C D103271 [2,0,0,0,0,0|1,0,1]=4 829 B3R0.2 CS(=O)C D103272 [2,0,0,0,0,0|1,0,1]=4 830 B3R0.2 CS(=O)C D103273 [2,0,0,0,0,0|1,0,1]=4 831 B3R0.2 CS(=O)C D103274 [2,0,0,0,0,0|1,0,1]=4 832 B3R0.2 CS(=O)C D103276 [2,0,0,0,0,0|1,0,1]=4 833 B3R0.2 CS(=O)C D103277 [2,0,0,0,0,0|1,0,1]=4 834 B3R0.2 CS(=O)C D103278 [2,0,0,0,0,0|1,0,1]=4 835 B3R0.2 CS(=O)C D103280 [2,0,0,0,0,0|1,0,1]=4 836 B3R0.2 CS(=O)C D103281 [2,0,0,0,0,0|1,0,1]=4 837 B3R0.2 CS(=O)C D103283 [2,0,0,0,0,0|1,0,1]=4 838 B3R0.2 CS(=O)C D106263 [2,0,0,0,0,0|1,0,1]=4 839 B3R0.2 CS(=O)C D106264 [2,0,0,0,0,0|1,0,1]=4 840 B3R0.2 CS(=O)C D106265 [2,0,0,0,0,0|1,0,1]=4 841 B3R0.2 CS(=O)C D106266 [2,0,0,0,0,0|1,0,1]=4 842 B3R0.2 CS(=O)C D274279 [2,0,0,0,0,0|1,0,1]=4 843 B3R0.2 CS(=O)C D432337 [2,0,0,0,0,0|1,0,1]=4 844 B3R0.2 CS(=O)C D433293 [2,0,0,0,0,0|1,0,1]=4 845 B3R0.2 CS(=O)C D591066 [2,0,0,0,0,0|1,0,1]=4 846 B3R0.2 CS(=O)C D615712 [2,0,0,0,0,0|1,0,1]=4 847 B3R0.2 C[Al](C)Cl D468609 [2,0,0,0,0,0|2,0,0]=4 848 B3R0.2 C[C-](C)C B109777 [2,0,0,0,0,0|1,0,1]=4 849 B3R0.2 C[C-](C)C T433023 [2,0,0,0,0,0|1,0,1]=4 850 B3R0.2 C[N+](=C)C N159555 [2,0,0,0,0,0|2,0,0]=4 851 B3R0.2 C[P+](=O)C D282017 [2,0,0,0,0,0|1,0,1]=4 852 B3R0.2 C[S+](C)Br B152953 [2,0,0,0,0,0|2,0,0]=4 853 B3R0.2 C[S+](C)C T107247 [2,0,0,0,0,0|2,0,0]=4 854 B3R0.2 C[S+](C)C T113600 [2,0,0,0,0,0|2,0,0]=4 855 B3R0.2 C[S+](C)C T162037 [2,0,0,0,0,0|2,0,0]=4 856 B3R0.2 C[Si](=O)C P195721 [2,0,0,0,0,0|0,1,1]=4 857 B3R0.2 C[Sn](C)C H157321 [2,0,0,0,0,0|2,0,0]=4 858 B3R0.2 C[Sn](C)C H489060 [2,0,0,0,0,0|2,0,0]=4 859 B3R0.2 C[Sn](C)C T283454 [2,0,0,0,0,0|2,0,0]=4 860 B3R0.2 OS(=O)O S112653 [2,0,0,0,0,0|1,0,1]=4 861 B3R0.2 OS(=O)O S112654 [2,0,0,0,0,0|1,0,1]=4 862 B3R0.2 OS(=O)O S615687 [2,0,0,0,0,0|1,0,1]=4 863 B5R0.1 B(CCC)(O)O P120303 [1,1,0,0,0,0|2,0,0]=4 864 B5R0.1 C(C(=O)O)ON C109697 [1,1,0,0,0,0|0,0,2]=4 865 B5R0.1 C(CO)C(=O)O H136635 [1,1,0,0,0,0|0,0,2]=4 866 B5R0.1 CC(=C)CCO M158231 [1,1,0,0,0,0|1,0,1]=4 867 B5R0.1 CC(=CCO)C M106454 [1,1,0,0,0,0|1,0,1]=4 868 B5R0.1 CC(=CCO)C M106455 [1,1,0,0,0,0|1,0,1]=4 869 B5R0.1 CC(=O)CCO H106330 [1,1,0,0,0,0|0,0,2]=4 870 B5R0.1 CC(=O)COC M158844 [1,1,0,0,0,0|0,0,2]=4 871 B5R0.1 CC(=O)NCO A151630 [1,1,0,0,0,0|0,0,2]=4 872 B5R0.1 CC(C)CC#C M157952 [1,1,0,0,0,0|2,0,0]=4 873 B5R0.1 CC(C)CC#N I137312 [1,1,0,0,0,0|2,0,0]=4 874 B5R0.1 CC(C)CC=C M158219 [1,1,0,0,0,0|2,0,0]=4 875 B5R0.1 CC(C)CC=O I103729 [1,1,0,0,0,0|1,0,1]=4 876 B5R0.1 CC(C)CC=O I103733 [1,1,0,0,0,0|1,0,1]=4 877 B5R0.1 CC(C)CCBr I109279 [1,1,0,0,0,0|2,0,0]=4 878 B5R0.1 CC(C)CCCl C105682 [1,1,0,0,0,0|2,0,0]=4 879 B5R0.1 CC(C)CCI I100674 [1,1,0,0,0,0|2,0,0]=4 880 B5R0.1 CC(C)CCN I109581 [1,1,0,0,0,0|2,0,0]=4 881 B5R0.1 CC(C)CCN I404590 [1,1,0,0,0,0|2,0,0]=4 882 B5R0.1 CC(C)CCO M116196 [1,1,0,0,0,0|1,0,0]=3 883 B5R0.1 CC(C)CCO M116197 [1,1,0,0,0,0|1,0,0]=3 884 B5R0.1 CC(C)CCO M116198 [1,1,0,0,0,0|1,0,0]=3 885 B5R0.1 CC(C)CCO M116200 [1,1,0,0,0,0|1,0,0]=3 886 B5R0.1 CC(C)CCO M116201 [1,1,0,0,0,0|1,0,0]=3 887 B5R0.1 CC(C)CCO M119838 [1,1,0,0,0,0|1,0,0]=3 888 B5R0.1 CC(C)CCS M101609 [1,1,0,0,0,0|1,1,0]=4 889 B5R0.1 CC(C)CNN I588327 [1,1,0,0,0,0|2,0,0]=4 890 B5R0.1 CC(C)C[Zn]Br I465880 [1,1,0,0,0,0|2,0,0]=4 891 B5R0.1 CC(C)OCCl C189120 [1,1,0,0,0,0|2,0,0]=4 892 B5R0.1 CC(CC#C)O P160660 [1,1,0,0,0,0|1,0,0]=3 893 B5R0.1 CC(CC=C)O P160534 [1,1,0,0,0,0|1,0,0]=3 894 B5R0.1 CC(CC=C)O R467366 [1,1,0,0,0,0|1,0,0]=3 895 B5R0.1 CC(CC=C)O S467331 [1,1,0,0,0,0|1,0,0]=3 896 B5R0.1 CC(CCBr)Br D155315 [1,1,0,0,0,0|2,0,0]=4 897 B5R0.1 CC(CCBr)O B589640 [1,1,0,0,0,0|1,0,0]=3 898 B5R0.1 CC(CCCl)Cl D155308 [1,1,0,0,0,0|2,0,0]=4 899 B5R0.1 CC(CCO)N A123608 [1,1,0,0,0,0|1,0,0]=3 900 B5R0.1 CC(CCO)N A183438 [1,1,0,0,0,0|1,0,0]=3 901 B5R0.1 CC(CCO)N S176942 [1,1,0,0,0,0|1,0,0]=3 902 B5R0.1 CC(CCO)O B111016 [1,1,0,0,0,0|0,0,0]=2 903 B5R0.1 CC(CCO)O B111017 [1,1,0,0,0,0|0,0,0]=2 904 B5R0.1 CC(CCO)O B111018 [1,1,0,0,0,0|0,0,0]=2 905 B5R0.1 CC(CCO)O B119672 [1,1,0,0,0,0|0,0,0]=2 906 B5R0.1 CC(CCO)O R160960 [1,1,0,0,0,0|0,0,0]=2 907 B5R0.1 CC(CCO)O S138551 [1,1,0,0,0,0|0,0,0]=2 908 B5R0.1 CC(CNC)O M587581 [1,1,0,0,0,0|1,0,0]=3 909 B5R0.1 CC(COC)N M169973 [1,1,0,0,0,0|1,0,0]=3 910 B5R0.1 CC(COC)N S475332 [1,1,0,0,0,0|1,0,0]=3 911 B5R0.1 CC(COC)N S586466 [1,1,0,0,0,0|1,0,0]=3 912 B5R0.1 CC(COC)O M105264 [1,1,0,0,0,0|0,0,0]=2 913 B5R0.1 CC(COC)O M105265 [1,1,0,0,0,0|0,0,0]=2 914 B5R0.1 CC(COC)O M105266 [1,1,0,0,0,0|0,0,0]=2 915 B5R0.1 CC(COC)O M299436 [1,1,0,0,0,0|0,0,0]=2 916 B5R0.1 CC(COC)O R160841 [1,1,0,0,0,0|0,0,0]=2 917 B5R0.1 CC(COC)O S161357 [1,1,0,0,0,0|0,0,0]=2 918 B5R0.1 CCCC(C)Br B400517 [1,1,0,0,0,0|2,0,0]=4 919 B5R0.1 CCCC(C)C I157548 [1,1,0,0,0,0|2,0,0]=4 920 B5R0.1 CCCC(C)C M105775 [1,1,0,0,0,0|2,0,0]=4 921 B5R0.1 CCCC(C)C M105776 [1,1,0,0,0,0|2,0,0]=4 922 B5R0.1 CCCC(C)C M105777 [1,1,0,0,0,0|2,0,0]=4 923 B5R0.1 CCCC(C)C M105778 [1,1,0,0,0,0|2,0,0]=4 924 B5R0.1 CCCC(C)C M137744 [1,1,0,0,0,0|2,0,0]=4 925 B5R0.1 CCCC(C)Cl C467357 [1,1,0,0,0,0|2,0,0]=4 926 B5R0.1 CCCC(C)N A151353 [1,1,0,0,0,0|2,0,0]=4 927 B5R0.1 CCCC(C)O P103442 [1,1,0,0,0,0|1,0,0]=3 928 B5R0.1 CCCC(C)O P103443 [1,1,0,0,0,0|1,0,0]=3 929 B5R0.1 CCCC(C)O R138651 [1,1,0,0,0,0|1,0,0]=3 930 B5R0.1 CCCC(C)O S138580 [1,1,0,0,0,0|1,0,0]=3 931 B5R0.1 CCNC(C)C N159098 [1,1,0,0,0,0|2,0,0]=4 932 B5R0.1 CN(C)CCO D109078 [1,1,0,0,0,0|2,0,0]=4 933 B5R0.1 CN(C)CCO D109079 [1,1,0,0,0,0|2,0,0]=4 934 B5R0.1 CN(C)CCO D109080 [1,1,0,0,0,0|2,0,0]=4 935 B5R0.1 COCC(=O)O M158057 [1,1,0,0,0,0|0,0,2]=4 936 B5R0.4 C(C(Br)(Br)Br)O T161626 [1,1,0,0,0,0|2,0,0]=4 937 B5R0.4 C(C(Cl)(Cl)Cl)O T109518 [1,1,0,0,0,0|2,0,0]=4 938 B5R0.4 C(C(F)(F)F)O T109510 [1,1,0,0,0,0|2,0,0]=4 939 B5R0.4 C(C(F)(F)F)O T109511 [1,1,0,0,0,0|2,0,0]=4 940 B5R0.4 C(C(F)(F)F)O T109512 [1,1,0,0,0,0|2,0,0]=4 941 B5R0.4 C(N)P(=O)(O)O A151006 [1,1,0,0,0,0|2,0,0]=4 942 B5R0.4 C(P(=O)(O)O)Cl C353112 [1,1,0,0,0,0|2,0,0]=4 943 B5R0.4 CC(C)(C#C)O M107736 [1,1,0,0,0,0|1,0,1]=4 944 B5R0.4 CC(C)(C)CBr B472553 [1,1,0,0,0,0|2,0,0]=4 945 B5R0.4 CC(C)(C)CN D191210 [1,1,0,0,0,0|2,0,0]=4 946 B5R0.4 CC(C)(C)CN N159082 [1,1,0,0,0,0|2,0,0]=4 947 B5R0.4 CC(C)(C)CO D154491 [1,1,0,0,0,0|1,0,0]=3 948 B5R0.4 CC(C)(C)NO I169058 [1,1,0,0,0,0|2,0,0]=4 949 B5R0.4 CC(C)(C)NO N159549 [1,1,0,0,0,0|2,0,0]=4 950 B5R0.4 CC(C)(C)NO N305121 [1,1,0,0,0,0|2,0,0]=4 951 B5R0.4 CC(C)(C)OO B106035 [1,1,0,0,0,0|2,0,0]=4 952 B5R0.4 CC(C)(C=C)O M106453 [1,1,0,0,0,0|1,0,1]=4 953 B5R0.4 CC(C)(CBr)Br D472522 [1,1,0,0,0,0|2,0,0]=4 954 B5R0.4 CC(C)(CBr)O B355149 [1,1,0,0,0,0|1,0,0]=3 955 B5R0.4 CC(C)(CCl)Cl D589600 [1,1,0,0,0,0|2,0,0]=4 956 B5R0.4 CC(C)(CCl)O C153898 [1,1,0,0,0,0|1,0,0]=3 957 B5R0.4 CC(C)(CN)N D155077 [1,1,0,0,0,0|2,0,0]=4 958 B5R0.4 CC(C)(CN)O A137158 [1,1,0,0,0,0|1,0,0]=3 959 B5R0.4 CC(C)(CO)N A100592 [1,1,0,0,0,0|1,0,0]=3 960 B5R0.4 CC(C)(CO)N A120623 [1,1,0,0,0,0|1,0,0]=3 961 B5R0.4 CC(C)(CO)N A140833 [1,1,0,0,0,0|1,0,0]=3 962 B5R0.4 CC(C)(CO)O M185207 [1,1,0,0,0,0|0,0,0]=2 963 B5R0.4 CC(CN)(F)F D195429 [1,1,0,0,0,0|2,0,0]=4 964 B5R0.4 CC(CO)(F)F D169652 [1,1,0,0,0,0|1,0,0]=3 965 B5R0.4 CCC(C)(C)C D105772 [1,1,0,0,0,0|2,0,0]=4 966 B5R0.4 CCC(C)(C)C D105773 [1,1,0,0,0,0|2,0,0]=4 967 B5R0.4 CCC(C)(C)C D105774 [1,1,0,0,0,0|2,0,0]=4 968 B5R0.4 CCC(C)(C)Cl C153545 [1,1,0,0,0,0|2,0,0]=4 969 B5R0.4 CCC(C)(C)N T161727 [1,1,0,0,0,0|2,0,0]=4 970 B5R0.4 CCC(C)(C)O A103416 [1,1,0,0,0,0|1,0,0]=3 971 B5R0.4 CCC(C)(C)O A103417 [1,1,0,0,0,0|1,0,0]=3 972 B5R0.4 CCC(C)(C)O A103418 [1,1,0,0,0,0|1,0,0]=3 973 B5R0.4 CCC(C)(C)O A103419 [1,1,0,0,0,0|1,0,0]=3 974 B5R0.4 CCC(C)(C)[O-] S140673 [1,1,0,0,0,0|1,0,1]=4 975 B5R0.4 CCC(C)(C)[O-] S432125 [1,1,0,0,0,0|1,0,1]=4 976 B5R0.4 CCC(C)(Cl)Cl D155312 [1,1,0,0,0,0|2,0,0]=4 977 B5R0.4 C[Si](C)(C)CO T161625 [1,1,0,0,0,0|1,1,0]=4 978 B5R0.5 B(B(O)O)(O)O T167102 [1,1,0,0,0,0|2,0,0]=4 979 B5R0.5 B(C(C)C)(O)O I120299 [1,1,0,0,0,0|2,0,0]=4 980 B5R0.5 CC(C(=O)C)O A109410 [1,1,0,0,0,0|0,0,2]=4 981 B5R0.5 CC(C(=O)C)O A109411 [1,1,0,0,0,0|0,0,2]=4 982 B5R0.5 CC(C(=O)N)O R139052 [1,1,0,0,0,0|0,0,2]=4 983 B5R0.5 CC(C(=O)N)O S469819 [1,1,0,0,0,0|0,0,2]=4 984 B5R0.5 CC(C(=O)O)Br B106080 [1,1,0,0,0,0|1,0,1]=4 985 B5R0.5 CC(C(=O)O)Br B106920 [1,1,0,0,0,0|1,0,1]=4 986 B5R0.5 CC(C(=O)O)Br R160937 [1,1,0,0,0,0|1,0,1]=4 987 B5R0.5 CC(C(=O)O)Cl C106527 [1,1,0,0,0,0|1,0,1]=4 988 B5R0.5 CC(C(=O)O)Cl C109467 [1,1,0,0,0,0|1,0,1]=4 989 B5R0.5 CC(C(=O)O)Cl C140796 [1,1,0,0,0,0|1,0,1]=4 990 B5R0.5 CC(C(=O)O)Cl R160939 [1,1,0,0,0,0|1,0,1]=4 991 B5R0.5 CC(C(=O)O)F F469437 [1,1,0,0,0,0|1,0,1]=4 992 B5R0.5 CC(C(=O)O)N A100051 [1,1,0,0,0,0|1,0,1]=4 993 B5R0.5 CC(C(=O)O)N A108263 [1,1,0,0,0,0|1,0,1]=4 994 B5R0.5 CC(C(=O)O)N A109095 [1,1,0,0,0,0|1,0,1]=4 995 B5R0.5 CC(C(=O)O)N A117757 [1,1,0,0,0,0|1,0,1]=4 996 B5R0.5 CC(C(=O)O)N A117758 [1,1,0,0,0,0|1,0,1]=4 997 B5R0.5 CC(C(=O)O)N A118860 [1,1,0,0,0,0|1,0,1]=4 998 B5R0.5 CC(C(=O)O)N D423466 [1,1,0,0,0,0|1,0,1]=4 999 B5R0.5 CC(C(=O)O)N D472023 [1,1,0,0,0,0|1,0,1]=4 1000 B5R0.5 CC(C(=O)O)N D474151 [1,1,0,0,0,0|1,0,1]=4 1001 B5R0.5 CC(C(=O)O)N L424776 [1,1,0,0,0,0|1,0,1]=4 1002 B5R0.5 CC(C(=O)O)N S432937 [1,1,0,0,0,0|1,0,1]=4 1003 B5R0.5 CC(C(=O)O)O L107595 [1,1,0,0,0,0|0,0,1]=3 1004 B5R0.5 CC(C(=O)O)O L107596 [1,1,0,0,0,0|0,0,1]=3 1005 B5R0.5 CC(C(=O)O)O L108839 [1,1,0,0,0,0|0,0,1]=3 1006 B5R0.5 CC(C(=O)O)O L108841 [1,1,0,0,0,0|0,0,1]=3 1007 B5R0.5 CC(C(=O)O)O L122089 [1,1,0,0,0,0|0,0,1]=3 1008 B5R0.5 CC(C(=O)O)O L122090 [1,1,0,0,0,0|0,0,1]=3 1009 B5R0.5 CC(C(=O)O)O L291729 [1,1,0,0,0,0|0,0,1]=3 1010 B5R0.5 CC(C(=O)O)O L291730 [1,1,0,0,0,0|0,0,1]=3 1011 B5R0.5 CC(C(=O)O)O L291731 [1,1,0,0,0,0|0,0,1]=3 1012 B5R0.5 CC(C(=O)O)O L291732 [1,1,0,0,0,0|0,0,1]=3 1013 B5R0.5 CC(C(=O)O)O L425989 [1,1,0,0,0,0|0,0,1]=3 1014 B5R0.5 CC(C(=O)O)O P169115 [1,1,0,0,0,0|0,0,1]=3 1015 B5R0.5 CC(C(=O)O)O S161106 [1,1,0,0,0,0|0,0,1]=3 1016 B5R0.5 CC(C(=O)O)S T162374 [1,1,0,0,0,0|0,1,1]=4 1017 B5R0.5 CC(C(=O)[O-])O A303861 [1,1,0,0,0,0|0,0,2]=4 1018 B5R0.5 CC(C(=O)[O-])O C110506 [1,1,0,0,0,0|0,0,2]=4 1019 B5R0.5 CC(C(=O)[O-])O C304709 [1,1,0,0,0,0|0,0,2]=4 1020 B5R0.5 CC(C(=O)[O-])O D304649 [1,1,0,0,0,0|0,0,2]=4 1021 B5R0.5 CC(C(=O)[O-])O I350723 [1,1,0,0,0,0|0,0,2]=4 1022 B5R0.5 CC(C(=O)[O-])O L104219 [1,1,0,0,0,0|0,0,2]=4 1023 B5R0.5 CC(C(=O)[O-])O L133140 [1,1,0,0,0,0|0,0,2]=4 1024 B5R0.5 CC(C(=O)[O-])O M305218 [1,1,0,0,0,0|0,0,2]=4 1025 B5R0.5 CC(C(=O)[O-])O P113770 [1,1,0,0,0,0|0,0,2]=4 1026 B5R0.5 CC(C(=O)[O-])O P305067 [1,1,0,0,0,0|0,0,2]=4 1027 B5R0.5 CC(C(=O)[O-])O S108837 [1,1,0,0,0,0|0,0,2]=4 1028 B5R0.5 CC(C(=O)[O-])O S108838 [1,1,0,0,0,0|0,0,2]=4 1029 B5R0.5 CC(C(=O)[O-])O S301759 [1,1,0,0,0,0|0,0,2]=4 1030 B5R0.5 CC(C(=O)[O-])O S302327 [1,1,0,0,0,0|0,0,2]=4 1031 B5R0.5 CC(C(=O)[O-])O S334655 [1,1,0,0,0,0|0,0,2]=4 1032 B5R0.5 CC(C(=O)[O-])O S426464 [1,1,0,0,0,0|0,0,2]=4 1033 B5R0.5 CC(C(=O)[O-])O S465689 [1,1,0,0,0,0|0,0,2]=4 1034 B5R0.5 CC(C(C)Cl)Cl D155309 [1,1,0,0,0,0|2,0,0]=4 1035 B5R0.5 CC(C(C)O)O B103428 [1,1,0,0,0,0|0,0,0]=2 1036 B5R0.5 CC(C(C)O)O B424414 [1,1,0,0,0,0|0,0,0]=2 1037 B5R0.5 CC(C(C)O)O R135716 [1,1,0,0,0,0|0,0,0]=2 1038 B5R0.5 CC(C(C)O)O R422817 [1,1,0,0,0,0|0,0,0]=2 1039 B5R0.5 CC(C(C)O)O R470710 [1,1,0,0,0,0|0,0,0]=2 1040 B5R0.5 CC(C(C)O)O S160997 [1,1,0,0,0,0|0,0,0]=2 1041 B5R0.5 CC(C(C)S)O M102962 [1,1,0,0,0,0|0,1,0]=3 1042 B5R0.5 CC(C(C)S)O M158761 [1,1,0,0,0,0|0,1,0]=3 1043 B5R0.5 CC(C(C)S)S B102921 [1,1,0,0,0,0|0,2,0]=4 1044 B5R0.5 CC(C(Cl)Cl)Cl T162273 [1,1,0,0,0,0|2,0,0]=4 1045 B5R0.5 CC(C)C(=O)O I103521 [1,1,0,0,0,0|1,0,1]=4 1046 B5R0.5 CC(C)C(=O)O I103522 [1,1,0,0,0,0|1,0,1]=4 1047 B5R0.5 CC(C)C(=O)O I103524 [1,1,0,0,0,0|1,0,1]=4 1048 B5R0.5 CC(C)C(=O)O I303334 [1,1,0,0,0,0|1,0,1]=4 1049 B5R0.5 CC(C)C(=O)O I434199 [1,1,0,0,0,0|1,0,1]=4 1050 B5R0.5 CC(C)C(C)C D106276 [1,1,0,0,0,0|2,0,0]=4 1051 B5R0.5 CC(C)C(C)C D106277 [1,1,0,0,0,0|2,0,0]=4 1052 B5R0.5 CC(C)C(C)C D106278 [1,1,0,0,0,0|2,0,0]=4 1053 B5R0.5 CC(C)C(C)N A100617 [1,1,0,0,0,0|2,0,0]=4 1054 B5R0.5 CC(C)C(C)N D101300 [1,1,0,0,0,0|2,0,0]=4 1055 B5R0.5 CC(C)C(C)O M158745 [1,1,0,0,0,0|1,0,0]=3 1056 B5R0.5 CC(C)C(C)S M103138 [1,1,0,0,0,0|1,1,0]=4 1057 B5R0.2 C#CCCCCl C107731 [1,1,0,0,0,0|2,0,0]=4 1058 B5R0.2 C#CCCCI I465322 [1,1,0,0,0,0|2,0,0]=4 1059 B5R0.2 C#CCCCO P106295 [1,1,0,0,0,0|1,0,0]=3 1060 B5R0.2 C(C#CCCl)O C166985 [1,1,0,0,0,0|1,0,1]=4 1061 B5R0.2 C(C#CCO)O B103672 [1,1,0,0,0,0|0,0,1]=3 1062 B5R0.2 C(C#CCO)O B103673 [1,1,0,0,0,0|0,0,1]=3 1063 B5R0.2 C(C#CCO)O B103675 [1,1,0,0,0,0|0,0,1]=3 1064 B5R0.2 C(C=CCO)O B107560 [1,1,0,0,0,0|0,0,1]=3 1065 B5R0.2 C(C=CCO)O B111227 [1,1,0,0,0,0|0,0,1]=3 1066 B5R0.2 C(C=CCO)O T162684 [1,1,0,0,0,0|0,0,1]=3 1067 B5R0.2 C(CC#N)CBr B152157 [1,1,0,0,0,0|2,0,0]=4 1068 B5R0.2 C(CC#N)CCl C102368 [1,1,0,0,0,0|2,0,0]=4 1069 B5R0.2 C(CCBr)CBr D105749 [1,1,0,0,0,0|2,0,0]=4 1070 B5R0.2 C(CCBr)CCl B109690 [1,1,0,0,0,0|2,0,0]=4 1071 B5R0.2 C(CCBr)CF B122542 [1,1,0,0,0,0|2,0,0]=4 1072 B5R0.2 C(CCBr)CN B163034 [1,1,0,0,0,0|2,0,0]=4 1073 B5R0.2 C(CCBr)CO B136242 [1,1,0,0,0,0|1,0,0]=3 1074 B5R0.2 C(CCCl)CCl D103409 [1,1,0,0,0,0|2,0,0]=4 1075 B5R0.2 C(CCCl)CO C118833 [1,1,0,0,0,0|1,0,0]=3 1076 B5R0.2 C(CCI)CCl C153542 [1,1,0,0,0,0|2,0,0]=4 1077 B5R0.2 C(CCI)CI D155304 [1,1,0,0,0,0|2,0,0]=4 1078 B5R0.2 C(CCN)CN B292804 [1,1,0,0,0,0|2,0,0]=4 1079 B5R0.2 C(CCN)CN B304967 [1,1,0,0,0,0|2,0,0]=4 1080 B5R0.2 C(CCN)CN B492953 [1,1,0,0,0,0|2,0,0]=4 1081 B5R0.2 C(CCN)CN D106194 [1,1,0,0,0,0|2,0,0]=4 1082 B5R0.2 C(CCN)CN D423441 [1,1,0,0,0,0|2,0,0]=4 1083 B5R0.2 C(CCN)CN D472054 [1,1,0,0,0,0|2,0,0]=4 1084 B5R0.2 C(CCO)CN A109739 [1,1,0,0,0,0|1,0,0]=3 1085 B5R0.2 C(CCO)CO B110391 [1,1,0,0,0,0|0,0,0]=2 1086 B5R0.2 C(CCO)CO B110394 [1,1,0,0,0,0|0,0,0]=2 1087 B5R0.2 C(CCO)CO B110395 [1,1,0,0,0,0|0,0,0]=2 1088 B5R0.2 C(CCS)CO M338696 [1,1,0,0,0,0|0,1,0]=3 1089 B5R0.2 C(CCS)CS B152757 [1,1,0,0,0,0|0,2,0]=4 1090 B5R0.2 C(CCS)CS B419814 [1,1,0,0,0,0|0,2,0]=4 1091 B5R0.2 C(CCl)OCCl C140412 [1,1,0,0,0,0|2,0,0]=4 1092 B5R0.2 C(CO)N=[N+]=[N-] A302966 [1,1,0,0,0,0|2,0,0]=4 1093 B5R0.2 C=CCCCBr B107734 [1,1,0,0,0,0|2,0,0]=4 1094 B5R0.2 C=CCCCO P103073 [1,1,0,0,0,0|1,0,0]=3 1095 B5R0.2 C=COCCO E135293 [1,1,0,0,0,0|1,0,1]=4 1096 B5R0.2 CC#CCCO P160656 [1,1,0,0,0,0|1,0,1]=4 1097 B5R0.2 CCC#CCO P160655 [1,1,0,0,0,0|1,0,1]=4 1098 B5R0.2 CCC=CCO C153493 [1,1,0,0,0,0|1,0,1]=4 1099 B5R0.2 CCC=CCO T299958 [1,1,0,0,0,0|1,0,1]=4 1100 B5R0.2 CCCC=NO B152406 [1,1,0,0,0,0|1,0,1]=4 1101 B5R0.2 CCCCC#C H106703 [1,1,0,0,0,0|2,0,0]=4 1102 B5R0.2 CCCCC#N B100431 [1,1,0,0,0,0|2,0,0]=4 1103 B5R0.2 CCCCC#N B100432 [1,1,0,0,0,0|2,0,0]=4 1104 B5R0.2 CCCCC=C H109530 [1,1,0,0,0,0|2,0,0]=4 1105 B5R0.2 CCCCC=C H109531 [1,1,0,0,0,0|2,0,0]=4 1106 B5R0.2 CCCCC=C H109532 [1,1,0,0,0,0|2,0,0]=4 1107 B5R0.2 CCCCC=C H109533 [1,1,0,0,0,0|2,0,0]=4 1108 B5R0.2 CCCCC=O V103717 [1,1,0,0,0,0|1,0,1]=4 1109 B5R0.2 CCCCCBr B104782 [1,1,0,0,0,0|2,0,0]=4 1110 B5R0.2 CCCCCBr B305762 [1,1,0,0,0,0|2,0,0]=4 1111 B5R0.2 CCCCCC H100107 [1,1,0,0,0,0|2,0,0]=4 1112 B5R0.2 CCCCCC H109653 [1,1,0,0,0,0|2,0,0]=4 1113 B5R0.2 CCCCCC H109654 [1,1,0,0,0,0|2,0,0]=4 1114 B5R0.2 CCCCCC H109656 [1,1,0,0,0,0|2,0,0]=4 1115 B5R0.2 CCCCCC H109659 [1,1,0,0,0,0|2,0,0]=4 1116 B5R0.2 CCCCCC H119662 [1,1,0,0,0,0|2,0,0]=4 1117 B5R0.2 CCCCCC H121283 [1,1,0,0,0,0|2,0,0]=4 1118 B5R0.2 CCCCCC H140380 [1,1,0,0,0,0|2,0,0]=4 1119 B5R0.2 CCCCCC H298923 [1,1,0,0,0,0|2,0,0]=4 1120 B5R0.2 CCCCCC N431441 [1,1,0,0,0,0|2,0,0]=4 1121 B5R0.2 CCCCCCl C109473 [1,1,0,0,0,0|2,0,0]=4 1122 B5R0.2 CCCCCCl C109474 [1,1,0,0,0,0|2,0,0]=4 1123 B5R0.2 CCCCCF F171115 [1,1,0,0,0,0|2,0,0]=4 1124 B5R0.2 CCCCCI I104798 [1,1,0,0,0,0|2,0,0]=4 1125 B5R0.2 CCCCCN A105343 [1,1,0,0,0,0|2,0,0]=4 1126 B5R0.2 CCCCCN P292685 [1,1,0,0,0,0|2,0,0]=4 1127 B5R0.2 CCCCCN P292697 [1,1,0,0,0,0|2,0,0]=4 1128 B5R0.2 CCCCCN P292701 [1,1,0,0,0,0|2,0,0]=4 1129 B5R0.2 CCCCCN P494144 [1,1,0,0,0,0|2,0,0]=4 1130 B5R0.2 CCCCCO N350217 [1,1,0,0,0,0|1,0,0]=3 1131 B5R0.2 CCCCCO P108125 [1,1,0,0,0,0|1,0,0]=3 1132 B5R0.2 CCCCCO P108126 [1,1,0,0,0,0|1,0,0]=3 1133 B5R0.2 CCCCCO P108127 [1,1,0,0,0,0|1,0,0]=3 1134 B5R0.2 CCCCCO P108128 [1,1,0,0,0,0|1,0,0]=3 1135 B5R0.2 CCCCCO P108129 [1,1,0,0,0,0|1,0,0]=3 1136 B5R0.2 CCCCCO P108130 [1,1,0,0,0,0|1,0,0]=3 1137 B5R0.2 CCCCCS A100028 [1,1,0,0,0,0|1,1,0]=4 1138 B5R0.2 CCCCOC B152821 [1,1,0,0,0,0|1,0,0]=3 1139 B5R0.2 CCCCON O184596 [1,1,0,0,0,0|1,0,0]=3 1140 B5R0.2 CCCCSC B152508 [1,1,0,0,0,0|1,1,0]=4 1141 B5R0.2 CCCC[Sn]Cl B302420 [1,1,0,0,0,0|2,0,0]=4 1142 B5R0.2 CCCNCC N159096 [1,1,0,0,0,0|2,0,0]=4 1143 B5R0.2 CCCOCC E156162 [1,1,0,0,0,0|2,0,0]=4 1144 B5R0.2 CCCSCC E134963 [1,1,0,0,0,0|2,0,0]=4 1145 B5R0.2 CCNCCN N138023 [1,1,0,0,0,0|2,0,0]=4 1146 B5R0.2 CCNCCO E156112 [1,1,0,0,0,0|1,0,0]=3 1147 B5R0.2 CCNCCO E301665 [1,1,0,0,0,0|1,0,0]=3 1148 B5R0.2 CCOCCBr B152837 [1,1,0,0,0,0|2,0,0]=4 1149 B5R0.2 CCOCCCl C153264 [1,1,0,0,0,0|2,0,0]=4 1150 B5R0.2 CCOCCN E156296 [1,1,0,0,0,0|2,0,0]=4 1151 B5R0.2 CCOCCO E110821 [1,1,0,0,0,0|1,0,0]=3 1152 B5R0.2 CCOCCO E110822 [1,1,0,0,0,0|1,0,0]=3 1153 B5R0.2 CCOCCO E118463 [1,1,0,0,0,0|1,0,0]=3 1154 B5R0.2 CCSCCCl C102885 [1,1,0,0,0,0|2,0,0]=4 1155 B5R0.2 CCSCCN E170901 [1,1,0,0,0,0|2,0,0]=4 1156 B5R0.2 CCSCCN E300178 [1,1,0,0,0,0|2,0,0]=4 1157 B5R0.2 CCSCCO E156428 [1,1,0,0,0,0|1,0,0]=3 1158 B5R0.2 CNCCCN N104493 [1,1,0,0,0,0|2,0,0]=4 1159 B5R0.2 CNCCCO M133702 [1,1,0,0,0,0|1,0,0]=3 1160 B5R0.2 CNCCOC N159090 [1,1,0,0,0,0|2,0,0]=4 1161 B5R0.2 COCCC#N M158577 [1,1,0,0,0,0|1,0,1]=4 1162 B5R0.2 COCCCBr B136284 [1,1,0,0,0,0|1,0,0]=3 1163 B5R0.2 COCCCCl C108061 [1,1,0,0,0,0|1,0,0]=3 1164 B5R0.2 COCCCN M134485 [1,1,0,0,0,0|1,0,0]=3 1165 B5R0.2 COCCCN M587821 [1,1,0,0,0,0|1,0,0]=3 1166 B5R0.2 COCCCO M107732 [1,1,0,0,0,0|0,0,0]=2 1167 B5R0.2 COCCOC D299631 [1,1,0,0,0,0|2,0,0]=4 1168 B5R0.2 COCCOC E104387 [1,1,0,0,0,0|2,0,0]=4 1169 B5R0.2 COCCOC E104388 [1,1,0,0,0,0|2,0,0]=4 1170 B5R0.2 COCCOC E104391 [1,1,0,0,0,0|2,0,0]=4 1171 B5R0.2 COCCOC E119676 [1,1,0,0,0,0|2,0,0]=4 1172 B5R0.2 COCCOC I282413 [1,1,0,0,0,0|2,0,0]=4 1173 B5R0.2 COCCOC P107530 [1,1,0,0,0,0|2,0,0]=4 1174 B5R0.2 COCCOC P432396 [1,1,0,0,0,0|2,0,0]=4 1175 B5R0.2 COCCOC P432397 [1,1,0,0,0,0|2,0,0]=4 1176 B5R0.2 COCCOC P432398 [1,1,0,0,0,0|2,0,0]=4 1177 B5R0.2 CSCCCN M158420 [1,1,0,0,0,0|1,1,0]=4 1178 B5R0.2 CSCCCO M102967 [1,1,0,0,0,0|0,1,0]=3 1179 B5R0.2 OCCCCO P487355 [1,1,0,0,0,0|0,0,0]=2 1180 B7R0.2 C(C(CN)O)C(=O)O S469570 [0,2,0,0,0,0|1,0,0]=3 1181 B7R0.2 C(C(CO)N)C(=O)O H353181 [0,2,0,0,0,0|1,0,0]=3 1182 B7R0.2 C(C(CO)N)C(=O)O S191379 [0,2,0,0,0,0|1,0,0]=3 1183 B7R0.2 CC(C)CC(CO)N L117136 [0,2,0,0,0,0|2,0,0]=4 1184 B7R0.2 CC(C)CC(CO)N S133878 [0,2,0,0,0,0|2,0,0]=4 1185 B7R0.2 CCC(C)CC(=O)O M109883 [0,2,0,0,0,0|2,0,0]=4 1186 B7R0.2 CCC(CC(=O)O)N A191758 [0,2,0,0,0,0|2,0,0]=4 1187 B7R0.2 CCC(CC(=O)O)N I167296 [0,2,0,0,0,0|2,0,0]=4 1188 B7R0.2 CN(C)CC(CO)O D135042 [0,2,0,0,0,0|1,0,0]=3 1189 B7R0.3 C(CC(CO)O)CO P160114 [0,2,0,0,0,0|0,0,0]=2 1190 B7R0.3 CC(CO)OCC#C P579546 [0,2,0,0,0,0|2,0,0]=4 1191 B7R0.3 CCCCC(CC)O H156872 [0,2,0,0,0,0|2,0,0]=4 1192 B7R0.3 CCCCC(CO)N R349958 [0,2,0,0,0,0|2,0,0]=4 1193 B7R0.3 CCCCC(CO)O H108067 [0,2,0,0,0,0|1,0,0]=3 1194 B7R0.3 CCOCC(CO)O E305267 [0,2,0,0,0,0|0,0,0]=2 1195 B7R0.3 CSCCC(CO)N D339853 [0,2,0,0,0,0|1,1,0]=4 1196 B7R0.3 CSCCC(CO)N M117138 [0,2,0,0,0,0|1,1,0]=4 1197 B7R0.3 CSCCC(CO)N S167794 [0,2,0,0,0,0|1,1,0]=4 1198 B7R0.5 C(CN)C(C(=O)O)O H181248 [0,2,0,0,0,0|1,0,1]=4 1199 B7R0.5 C(CN)C(C(=O)O)O S161042 [0,2,0,0,0,0|1,0,1]=4 1200 B7R0.5 C(CO)C(C(=O)O)N H100541 [0,2,0,0,0,0|1,0,1]=4 1201 B7R0.5 C(CO)C(C(=O)O)N H101557 [0,2,0,0,0,0|1,0,1]=4 1202 B7R0.5 C(CO)C(C(=O)O)N H105430 [0,2,0,0,0,0|1,0,1]=4 1203 B7R0.5 C(CO)C(C(=O)O)N L425384 [0,2,0,0,0,0|1,0,1]=4 1204 B7R0.5 CC(C)C(CCO)N A348373 [0,2,0,0,0,0|2,0,0]=4 1205 B7R0.5 CCCC(C(=O)O)O S193305 [0,2,0,0,0,0|1,0,1]=4 1206 B7R0.5 CCOC(C(F)F)O D154293 [0,2,0,0,0,0|2,0,0]=4 1207 B7R0.5 COCC(C(=O)O)Cl C133763 [0,2,0,0,0,0|1,0,1]=4 1208 B7R0.5 COCC(C(=O)O)N S135785 [0,2,0,0,0,0|1,0,1]=4 1209 B7R0.7 C(NC(=O)NCO)O B152713 [0,2,0,0,0,0|0,0,2]=4 1210 B7R0.7 CC(CCO)CCO M157872 [0,2,0,0,0,0|1,0,0]=3 1211 B7R0.7 CCCC(CCC)O H156873 [0,2,0,0,0,0|2,0,0]=4 1212 B7R0.7 CCCC(CCO)S M102905 [0,2,0,0,0,0|1,1,0]=4 1213 B7R0.7 CN(CCO)CCO M105602 [0,2,0,0,0,0|2,0,0]=4 1214 B7R0.7 CN(CCO)CCO M105603 [0,2,0,0,0,0|2,0,0]=4 1215 B7R0.7 COCC(COC)N D195061 [0,2,0,0,0,0|1,0,0]=3 1216 B7R0.7 COCC(COC)O D194254 [0,2,0,0,0,0|0,0,0]=2 1217 B7R0.10 C(C(=C(CO)Br)Br)O I169562 [0,2,0,0,0,0|1,0,1]=4 1218 B7R0.10 C(C(=C(CO)Br)Br)O T162668 [0,2,0,0,0,0|1,0,1]=4 1219 B7R0.10 C(C(C(C=O)O)O)O E120857 [0,2,0,0,0,0|0,0,0]=2 1220 B7R0.10 C(C(C(CBr)O)O)Br W131889 [0,2,0,0,0,0|1,0,0]=3 1221 B7R0.10 C(C(C(CO)Br)Br)O W135330 [0,2,0,0,0,0|1,0,0]=3 1222 B7R0.10 C(C(C(CO)O)O)O E105712 [0,2,0,0,0,0|0,0,0]=2 1223 B7R0.10 C(C(C(CO)O)O)O M421753 [0,2,0,0,0,0|0,0,0]=2 1224 B7R0.10 C(C(C(CO)O)O)O S136137 [0,2,0,0,0,0|0,0,0]=2 1225 B7R0.10 C(C(C(CO)O)O)O S161038 [0,2,0,0,0,0|0,0,0]=2 1226 B7R0.10 C(C(C(CS)O)O)S D104859 [0,2,0,0,0,0|0,1,0]=3 1227 B7R0.10 C(C(C(CS)O)O)S D104860 [0,2,0,0,0,0|0,1,0]=3 1228 B7R0.10 C(C(C(CS)O)O)S D104861 [0,2,0,0,0,0|0,1,0]=3 1229 B7R0.10 C(C(C(CS)O)O)S D105710 [0,2,0,0,0,0|0,1,0]=3 1230 B7R0.10 C(C(C(CS)O)O)S D105711 [0,2,0,0,0,0|0,1,0]=3 1231 B7R0.10 C(C(C(CS)O)O)S D121076 [0,2,0,0,0,0|0,1,0]=3 1232 B7R0.10 C(C(C(CS)O)O)S D265376 [0,2,0,0,0,0|0,1,0]=3 1233 B7R0.10 C(C(C(CS)O)O)S D423542 [0,2,0,0,0,0|0,1,0]=3 1234 B7R0.10 CC(CO)C(=O)OC M589106 [0,2,0,0,0,0|1,0,1]=4 1235 B7R0.10 CC(CO)C(=O)OC R136025 [0,2,0,0,0,0|1,0,1]=4 1236 B7R0.10 CC(CO)C(=O)OC S133601 [0,2,0,0,0,0|1,0,1]=4 1237 B7R0.10 CCC(C(=O)CC)O P121219 [0,2,0,0,0,0|2,0,0]=4 1238 B7R0.10 CCC(C(=O)OC)O M588620 [0,2,0,0,0,0|1,0,1]=4 1239 B7R0.10 CCC(C(=O)OC)O M590030 [0,2,0,0,0,0|1,0,1]=4 1240 B7R0.10 CCC(C(=O)OC)O R590029 [0,2,0,0,0,0|1,0,1]=4 1241 B7R0.10 CCC(C(C)CO)S M404750 [0,2,0,0,0,0|1,1,0]=4 1242 B7R0.10 CCC(C)C(CO)N I117134 [0,2,0,0,0,0|2,0,0]=4 1243 B7R0.10 COC(=O)C(CO)N S101064 [0,2,0,0,0,0|1,0,1]=4 1244 B7R0.10 COC(=O)C(CO)N S109008 [0,2,0,0,0,0|1,0,1]=4 1245 B7R0.10 COC(=O)C(CO)N S117181 [0,2,0,0,0,0|1,0,1]=4 1246 B7R0.10 COC(=O)C(CO)O R587787 [0,2,0,0,0,0|0,0,1]=3 1247 B7R0.10 COC(=O)C(CO)O S178884 [0,2,0,0,0,0|0,0,1]=3 1248 B7R0.12 COCC(OC)OC T162575 [0,2,0,0,0,0|2,0,0]=4 1249 B7R0.13 C(C(C(F)F)(F)F)O T101367 [0,2,0,0,0,0|2,0,0]=4 1250 B7R0.13 CC(C)(CO)C(=O)O H138895 [0,2,0,0,0,0|1,0,1]=4 1251 B7R0.13 CC(CBr)(C(=O)O)O R160936 [0,2,0,0,0,0|1,0,1]=4 1252 B7R0.13 CC(CO)(C(=O)O)N A118304 [0,2,0,0,0,0|1,0,1]=4 1253 B7R0.13 CCC(C)(C(=O)O)O H133323 [0,2,0,0,0,0|1,0,1]=4 1254 B7R0.14 CC(C)(C)C(CO)N I132198 [0,2,0,0,0,0|2,0,0]=4 1255 B7R0.14 CC(C)(C)C(CO)N S160987 [0,2,0,0,0,0|2,0,0]=4 1256 B7R0.14 CC(CO)C(F)(F)F T193390 [0,2,0,0,0,0|2,0,0]=4 1257 B7R0.15 C(C(CBr)C(=O)O)Br B136320 [0,2,0,0,0,0|2,0,0]=4 1258 B7R0.15 C(C(CO)C(=O)O)N I166551 [0,2,0,0,0,0|1,0,0]=3 1259 B7R0.15 CCC(CC)C(=O)O E105668 [0,2,0,0,0,0|2,0,0]=4 1260 B7R0.15 CCC(CC)C(=O)O E105669 [0,2,0,0,0,0|2,0,0]=4 1261 B7R0.16 C(C(=O)O)(C(=O)O)O T137374 [0,2,0,0,0,0|0,0,2]=4 1262 B7R0.16 CC(C(C(=O)O)N)O L425658 [0,2,0,0,0,0|1,0,1]=4 1263 B7R0.16 CC(C(C(=O)O)N)O L471819 [0,2,0,0,0,0|1,0,1]=4 1264 B7R0.16 CC(C(C(=O)O)N)O S138236 [0,2,0,0,0,0|1,0,1]=4 1265 B7R0.16 CC(C(C(=O)O)N)O S161020 [0,2,0,0,0,0|1,0,1]=4 1266 B7R0.16 CC(C(C(=O)O)N)O T100459 [0,2,0,0,0,0|1,0,1]=4 1267 B7R0.16 CC(C(C(=O)O)N)O T100954 [0,2,0,0,0,0|1,0,1]=4 1268 B7R0.16 CC(C(C(=O)O)N)O T108221 [0,2,0,0,0,0|1,0,1]=4 1269 B7R0.16 CC(C(C(=O)O)N)O T108222 [0,2,0,0,0,0|1,0,1]=4 1270 B7R0.16 CC(C(C(=O)O)N)O T114829 [0,2,0,0,0,0|1,0,1]=4 1271 B7R0.16 CC(C)C(C(=O)O)O H137225 [0,2,0,0,0,0|1,0,1]=4 1272 B7R0.16 CC(C)C(C(=O)O)O S167911 [0,2,0,0,0,0|1,0,1]=4 1273 B7R0.16 CC(C)C(C(C)C)O D154153 [0,2,0,0,0,0|2,0,0]=4 1274 B7R0.18 C(C(CO)(CO)N)O T105287 [0,2,0,0,0,0|0,0,0]=2 1275 B7R0.18 C(C(CO)(CO)N)O T105289 [0,2,0,0,0,0|0,0,0]=2 1276 B7R0.18 C(C(CO)(CO)N)O T105291 [0,2,0,0,0,0|0,0,0]=2 1277 B7R0.18 C(C(CO)(CO)N)O T110598 [0,2,0,0,0,0|0,0,0]=2 1278 B7R0.18 C(C(CO)(CO)N)O T110599 [0,2,0,0,0,0|0,0,0]=2 1279 B7R0.18 C(C(CO)(CO)N)O T110600 [0,2,0,0,0,0|0,0,0]=2 1280 B7R0.18 C(C(CO)(CO)N)O T110601 [0,2,0,0,0,0|0,0,0]=2 1281 B7R0.18 C(C(CO)(CO)N)O T110602 [0,2,0,0,0,0|0,0,0]=2 1282 B7R0.18 C(C(CO)(CO)N)O T113199 [0,2,0,0,0,0|0,0,0]=2 1283 B7R0.18 C(C(CO)(CO)N)O T274227 [0,2,0,0,0,0|0,0,0]=2 1284 B7R0.18 C(C(CO)(CO)N)O T274250 [0,2,0,0,0,0|0,0,0]=2 1285 B7R0.18 C(C(CO)(CO)N)O T330613 [0,2,0,0,0,0|0,0,0]=2 1286 B7R0.18 C(C(CO)(CO)N)O T420815 [0,2,0,0,0,0|0,0,0]=2 1287 B7R0.18 C(C(CO)(CO)N)O T425922 [0,2,0,0,0,0|0,0,0]=2 1288 B7R0.18 C(C(CO)(CO)N)O T431526 [0,2,0,0,0,0|0,0,0]=2 1289 B7R0.18 C(C(CO)(CO)N)O T434093 [0,2,0,0,0,0|0,0,0]=2 1290 B7R0.18 C(C(CO)(CO)N)O T434094 [0,2,0,0,0,0|0,0,0]=2 1291 B7R0.18 C(C(CO)(CO)N)O T434098 [0,2,0,0,0,0|0,0,0]=2 1292 B7R0.18 C(C(CO)(CO)N)O T472126 [0,2,0,0,0,0|0,0,0]=2 1293 B7R0.18 C(C(CO)(CO)N)O T476192 [0,2,0,0,0,0|0,0,0]=2 1294 B7R0.18 C(C(CO)(CO)N)O T591027 [0,2,0,0,0,0|0,0,0]=2 1295 B7R0.18 CC(CO)(CO)CO T104516 [0,2,0,0,0,0|0,0,0]=2 1296 B7R0.18 CCC(CC)(C#C)O E472552 [0,2,0,0,0,0|2,0,0]=4 1297 B7R0.18 CCC(CO)(CO)N A151350 [0,2,0,0,0,0|1,0,0]=3 1298 B5R1.2 C1C(=O)CO1 O129097 [1,0,0,1,0,0|0,0,2]=4 1299 B5R1.2 C1C(CN1)F F134511 [1,0,0,1,0,0|2,0,0]=4 1300 B5R1.2 C1C(CN1)N A171689 [1,0,0,1,0,0|2,0,0]=4 1301 B5R1.2 C1C(CN1)O H102085 [1,0,0,1,0,0|1,0,0]=3 1302 B5R1.2 C1C(CO1)Br B170097 [1,0,0,1,0,0|1,0,0]=3 1303 B5R1.2 C1C(CO1)I I134383 [1,0,0,1,0,0|1,0,0]=3 1304 B5R1.2 C1C(CO1)N O135359 [1,0,0,1,0,0|1,0,0]=3 1305 B5R1.2 C1C(CO1)N O589249 [1,0,0,1,0,0|1,0,0]=3 1306 B5R1.2 C1C(CO1)O H123582 [1,0,0,1,0,0|0,0,0]=2 1307 B5R1.2 C1C(CS1)N T173228 [1,0,0,1,0,0|1,1,0]=4 1308 B5R1.2 C1CC(C1)Br C107837 [1,0,0,1,0,0|2,0,0]=4 1309 B5R1.2 C1CC(C1)Cl C115990 [1,0,0,1,0,0|2,0,0]=4 1310 B5R1.2 C1CC(C1)N C113777 [1,0,0,1,0,0|2,0,0]=4 1311 B5R1.2 C1CC(C1)N P117243 [1,0,0,1,0,0|2,0,0]=4 1312 B5R1.2 C1CC(C1)O C101572 [1,0,0,1,0,0|1,0,0]=3 1313 B5R1.3 C1C(O1)CCl E100521 [1,0,0,1,0,0|1,0,0]=3 1314 B5R1.3 C1C(O1)CCl E108181 [1,0,0,1,0,0|1,0,0]=3 1315 B5R1.3 C1C(O1)CCl E108182 [1,0,0,1,0,0|1,0,0]=3 1316 B5R1.3 C1C(O1)CCl E108184 [1,0,0,1,0,0|1,0,0]=3 1317 B5R1.3 C1C(O1)CCl E108185 [1,0,0,1,0,0|1,0,0]=3 1318 B5R1.3 C1C(O1)CCl E109298 [1,0,0,1,0,0|1,0,0]=3 1319 B5R1.3 C1C(O1)CCl E137334 [1,0,0,1,0,0|1,0,0]=3 1320 B5R1.3 C1C(O1)CCl E325686 [1,0,0,1,0,0|1,0,0]=3 1321 B5R1.3 C1C(O1)CCl E401255 [1,0,0,1,0,0|1,0,0]=3 1322 B5R1.3 C1C(O1)CF E352987 [1,0,0,1,0,0|1,0,0]=3 1323 B5R1.3 C1C(O1)CO G106989 [1,0,0,1,0,0|0,0,0]=2 1324 B5R1.3 C1C(O1)CO R119621 [1,0,0,1,0,0|0,0,0]=2 1325 B5R1.3 C1C(O1)CO S119620 [1,0,0,1,0,0|0,0,0]=2 1326 B5R1.3 C1CC1CBr B109676 [1,0,0,1,0,0|2,0,0]=4 1327 B5R1.3 C1CC1CCl C104287 [1,0,0,1,0,0|2,0,0]=4 1328 B5R1.3 C1CC1CI I464078 [1,0,0,1,0,0|2,0,0]=4 1329 B5R1.3 C1CC1CN C153637 [1,0,0,1,0,0|2,0,0]=4 1330 B5R1.3 C1CC1CN C339737 [1,0,0,1,0,0|2,0,0]=4 1331 B5R1.3 C1CC1CO C108023 [1,0,0,1,0,0|1,0,0]=3 1332 B5R1.3 C1CC1CO C108024 [1,0,0,1,0,0|1,0,0]=3 1333 B5R1.3 C=CC1CO1 V100986 [1,0,0,1,0,0|1,0,1]=4 1334 B5R1.3 CCC1CO1 B123067 [1,0,0,1,0,0|1,0,0]=3 1335 B5R1.3 CCC1CO1 B152236 [1,0,0,1,0,0|1,0,0]=3 1336 B5R1.3 CCC1CO1 E123068 [1,0,0,1,0,0|1,0,0]=3 1337 B5R1.4 CC1C(O1)C C349177 [1,0,0,1,0,0|1,0,0]=3 1338 B5R1.5 CC1(CC1)N M178021 [1,0,0,1,0,0|2,0,0]=4 1339 B5R1.5 CC1(CO1)C I109578 [1,0,0,1,0,0|1,0,0]=3 1340 B5R1.5 CC1(CS1)C I157605 [1,0,0,1,0,0|1,1,0]=4 1341 B5R1.1 C1CC=CC1 C104477 [1,0,0,1,0,0|2,0,0]=4 1342 B5R1.1 C1CC=CC1 C104479 [1,0,0,1,0,0|2,0,0]=4 1343 B5R1.1 C1CC=CC1 C104480 [1,0,0,1,0,0|2,0,0]=4 1344 B5R1.1 C1CCCC1 C103394 [1,0,0,1,0,0|2,0,0]=4 1345 B5R1.1 C1CCCC1 C103397 [1,0,0,1,0,0|2,0,0]=4 1346 B5R1.1 C1CCCC1 C103398 [1,0,0,1,0,0|2,0,0]=4 1347 B5R1.1 C1CCCC1 C103399 [1,0,0,1,0,0|2,0,0]=4 1348 B5R1.1 C1CCCC1 C103400 [1,0,0,1,0,0|2,0,0]=4 1349 B5R1.1 C1CCCC1 C139938 [1,0,0,1,0,0|2,0,0]=4 1350 B5R1.1 C1CCNC1 P108562 [1,0,0,1,0,0|2,0,0]=4 1351 B5R1.1 C1CCNC1 P160143 [1,0,0,1,0,0|2,0,0]=4 1352 B5R1.1 C1CCNC1 P160705 [1,0,0,1,0,0|2,0,0]=4 1353 B5R1.1 C1CCNC1 P301661 [1,0,0,1,0,0|2,0,0]=4 1354 B5R1.1 C1CCOC1 B110263 [1,0,0,1,0,0|1,0,0]=3 1355 B5R1.1 C1CCOC1 B300059 [1,0,0,1,0,0|1,0,0]=3 1356 B5R1.1 C1CCOC1 C333316 [1,0,0,1,0,0|1,0,0]=3 1357 B5R1.1 C1CCOC1 T102271 [1,0,0,1,0,0|1,0,0]=3 1358 B5R1.1 C1CCOC1 T102272 [1,0,0,1,0,0|1,0,0]=3 1359 B5R1.1 C1CCOC1 T103259 [1,0,0,1,0,0|1,0,0]=3 1360 B5R1.1 C1CCOC1 T103260 [1,0,0,1,0,0|1,0,0]=3 1361 B5R1.1 C1CCOC1 T103262 [1,0,0,1,0,0|1,0,0]=3 1362 B5R1.1 C1CCOC1 T103263 [1,0,0,1,0,0|1,0,0]=3 1363 B5R1.1 C1CCOC1 T103264 [1,0,0,1,0,0|1,0,0]=3 1364 B5R1.1 C1CCOC1 T103266 [1,0,0,1,0,0|1,0,0]=3 1365 B5R1.1 C1CCOC1 T120775 [1,0,0,1,0,0|1,0,0]=3 1366 B5R1.1 C1CCOC1 T282609 [1,0,0,1,0,0|1,0,0]=3 1367 B5R1.1 C1CCOC1 T303408 [1,0,0,1,0,0|1,0,0]=3 1368 B5R1.1 C1CCOC1 T407518 [1,0,0,1,0,0|1,0,0]=3 1369 B5R1.1 C1CCOC1 T431414 [1,0,0,1,0,0|1,0,0]=3 1370 B5R1.1 C1CCSC1 T107485 [1,0,0,1,0,0|1,1,0]=4 1371 B5R1.1 C1CC[CH-]C1 C466404 [1,0,0,1,0,0|2,0,0]=4 1372 B5R1.1 C1CNOC1 I157665 [1,0,0,1,0,0|1,0,0]=3 1373 B5R1.1 C1COC=C1 D106435 [1,0,0,1,0,0|1,0,1]=4 1374 B5R1.1 C1COCO1 D105894 [1,0,0,1,0,0|2,0,0]=4 1375 B5R1.1 C1COCO1 D105895 [1,0,0,1,0,0|2,0,0]=4 1376 B5R1.1 C1COCO1 D119723 [1,0,0,1,0,0|2,0,0]=4 1377 B7R1.1 C1C=CCC1CO C175895 [0,1,0,1,0,0|2,0,0]=4 1378 B7R1.1 C1CC(NC1)CO P106015 [0,1,0,1,0,0|2,0,0]=4 1379 B7R1.1 C1CC(NC1)CO P117145 [0,1,0,1,0,0|2,0,0]=4 1380 B7R1.1 C1CC(NC1)CO P133858 [0,1,0,1,0,0|2,0,0]=4 1381 B7R1.1 C1CC(OC1)CBr T161718 [0,1,0,1,0,0|2,0,0]=4 1382 B7R1.1 C1CC(OC1)CCl T109587 [0,1,0,1,0,0|2,0,0]=4 1383 B7R1.1 C1CC(OC1)CN T111157 [0,1,0,1,0,0|2,0,0]=4 1384 B7R1.1 C1CC(OC1)CN T113724 [0,1,0,1,0,0|2,0,0]=4 1385 B7R1.1 C1CC(OC1)CN T119768 [0,1,0,1,0,0|2,0,0]=4 1386 B7R1.1 C1CC(OC1)CO T105718 [0,1,0,1,0,0|1,0,0]=3 1387 B7R1.1 C1CC(OC1)CO T105720 [0,1,0,1,0,0|1,0,0]=3 1388 B7R1.1 C1CCC(C1)CO C121238 [0,1,0,1,0,0|2,0,0]=4 1389 B7R1.1 C1COC(O1)CBr B153145 [0,1,0,1,0,0|2,0,0]=4 1390 B7R1.1 C1COC(O1)CCl C153298 [0,1,0,1,0,0|2,0,0]=4 1391 B7R1.1 C1COC(O1)CN A151048 [0,1,0,1,0,0|2,0,0]=4 1392 B7R1.1 C1COC(O1)CO D193991 [0,1,0,1,0,0|1,0,0]=3 1393 B7R1.1 C1COCC1C=O T304657 [0,1,0,1,0,0|1,0,1]=4 1394 B7R1.1 C1COCC1CBr B174868 [0,1,0,1,0,0|2,0,0]=4 1395 B7R1.1 C1COCC1CN A167762 [0,1,0,1,0,0|2,0,0]=4 1396 B7R1.1 C1COCC1CN A168112 [0,1,0,1,0,0|2,0,0]=4 1397 B7R1.1 C1COCC1CO T136105 [0,1,0,1,0,0|1,0,0]=3 1398 B7R1.1 COC1CCCC1 C102202 [0,1,0,1,0,0|2,0,0]=4 1399 B7R1.1 COC1CCCC1 C119688 [0,1,0,1,0,0|2,0,0]=4 1400 B7R1.1 COC1CCCC1 C298967 [0,1,0,1,0,0|2,0,0]=4 1401 B7R1.1 COC1CCNC1 R176558 [0,1,0,1,0,0|2,0,0]=4 1402 B7R1.1 COC1CCNC1 S177181 [0,1,0,1,0,0|2,0,0]=4 1403 B7R1.1 COC1CCNC1 S586566 [0,1,0,1,0,0|2,0,0]=4 1404 B7R1.2 C1C(C=CC1O)O I169369 [0,1,0,1,0,0|1,0,1]=4 1405 B7R1.2 C1C(CNC1=O)O H119311 [0,1,0,1,0,0|1,0,1]=4 1406 B7R1.2 C1C(CNC1=O)O H119312 [0,1,0,1,0,0|1,0,1]=4 1407 B7R1.2 C1C(CNC1=O)O H183207 [0,1,0,1,0,0|1,0,1]=4 1408 B7R1.2 C1C(COC1=O)N R189910 [0,1,0,1,0,0|1,0,1]=4 1409 B7R1.2 C1C(COC1=O)N S189909 [0,1,0,1,0,0|1,0,1]=4 1410 B7R1.2 C1C(COC1=O)O H107941 [0,1,0,1,0,0|0,0,1]=3 1411 B7R1.2 C1CC(CC1N)O R173195 [0,1,0,1,0,0|2,0,0]=4 1412 B7R1.2 C1CC(CC1N)O S587381 [0,1,0,1,0,0|2,0,0]=4 1413 B7R1.2 C1CC(CC1N)O T172883 [0,1,0,1,0,0|2,0,0]=4 1414 B7R1.2 C1CC(CC1O)O C153245 [0,1,0,1,0,0|1,0,0]=3 1415 B7R1.2 CC1CCC(C1)O M351118 [0,1,0,1,0,0|2,0,0]=4 1416 B7R1.2 CC1COC(O1)C D404099 [0,1,0,1,0,0|2,0,0]=4 1417 B7R1.2 CN1CCC(C1)O M107932 [0,1,0,1,0,0|2,0,0]=4 1418 B7R1.2 CN1CCC(C1)O M119144 [0,1,0,1,0,0|2,0,0]=4 1419 B7R1.2 CN1CCC(C1)O M121670 [0,1,0,1,0,0|2,0,0]=4 1420 B7R1.3 C1C(COCO1)O G141045 [0,1,0,1,0,0|0,0,0]=2 1421 B7R1.3 C1CC(CNC1)O H119140 [0,1,0,1,0,0|2,0,0]=4 1422 B7R1.3 C1CC(CNC1)O H119141 [0,1,0,1,0,0|2,0,0]=4 1423 B7R1.3 C1CC(CNC1)O H123507 [0,1,0,1,0,0|2,0,0]=4 1424 B7R1.3 C1CC(CNC1)O H123509 [0,1,0,1,0,0|2,0,0]=4 1425 B7R1.3 C1CC(CNC1)O S588362 [0,1,0,1,0,0|2,0,0]=4 1426 B7R1.3 C1CC(COC1)N S172896 [0,1,0,1,0,0|2,0,0]=4 1427 B7R1.3 C1CC(COC1)O O175461 [0,1,0,1,0,0|1,0,0]=3 1428 B7R1.3 C1CCC(CC1)O C110399 [0,1,0,1,0,0|2,0,0]=4 1429 B7R1.3 C1CCC(CC1)O C110400 [0,1,0,1,0,0|2,0,0]=4 1430 B7R1.3 C1CCC(CC1)O C110401 [0,1,0,1,0,0|2,0,0]=4 1431 B7R1.3 C1CCC(CC1)O C121272 [0,1,0,1,0,0|2,0,0]=4 1432 B7R1.3 C1CNCCC1O H106359 [0,1,0,1,0,0|2,0,0]=4 1433 B7R1.3 C1CNCCC1O H138960 [0,1,0,1,0,0|2,0,0]=4 1434 B7R1.3 C1COCCC1Br B169075 [0,1,0,1,0,0|2,0,0]=4 1435 B7R1.3 C1COCCC1Cl C120070 [0,1,0,1,0,0|2,0,0]=4 1436 B7R1.3 C1COCCC1I I175912 [0,1,0,1,0,0|2,0,0]=4 1437 B7R1.3 C1COCCC1N A102316 [0,1,0,1,0,0|2,0,0]=4 1438 B7R1.3 C1COCCC1N O176150 [0,1,0,1,0,0|2,0,0]=4 1439 B7R1.3 C1COCCC1O T119338 [0,1,0,1,0,0|1,0,0]=3 1440 B7R1.3 C1CSCCC1O T161724 [0,1,0,1,0,0|1,1,0]=4 1441 B7R1.3 CC1CCOCO1 M158047 [0,1,0,1,0,0|2,0,0]=4 1442 B7R1.3 CC1COCCN1 M193354 [0,1,0,1,0,0|2,0,0]=4 1443 B7R1.3 CC1COCCN1 R160948 [0,1,0,1,0,0|2,0,0]=4 1444 B7R1.3 CC1COCCN1 R177343 [0,1,0,1,0,0|2,0,0]=4 1445 B7R1.3 CC1COCCN1 S176218 [0,1,0,1,0,0|2,0,0]=4 1446 B7R1.3 CC1COCCN1 S189368 [0,1,0,1,0,0|2,0,0]=4 1447 B7R1.4 C1C(C(CN1)O)O C175295 [0,1,0,1,0,0|1,0,0]=3 1448 B7R1.4 C1C(C(CN1)O)O P108071 [0,1,0,1,0,0|1,0,0]=3 1449 B7R1.4 C1C(C(CN1)O)O P108072 [0,1,0,1,0,0|1,0,0]=3 1450 B7R1.4 C1C(C(CN1)O)O P108073 [0,1,0,1,0,0|1,0,0]=3 1451 B7R1.4 C1C(C(CN1)O)O S178122 [0,1,0,1,0,0|1,0,0]=3 1452 B7R1.4 C1C(C(CO1)O)N A587267 [0,1,0,1,0,0|1,0,0]=3 1453 B7R1.4 C1C(C(CO1)O)O A151297 [0,1,0,1,0,0|0,0,0]=2 1454 B7R1.4 C1CC(C(C1)O)N A101741 [0,1,0,1,0,0|2,0,0]=4 1455 B7R1.4 C1CC(C(C1)O)N A101751 [0,1,0,1,0,0|2,0,0]=4 1456 B7R1.4 C1CC(C(C1)O)N A187867 [0,1,0,1,0,0|2,0,0]=4 1457 B7R1.4 C1CC(C(C1)O)N C348612 [0,1,0,1,0,0|2,0,0]=4 1458 B7R1.4 C1CC(C(C1)O)N I168764 [0,1,0,1,0,0|2,0,0]=4 1459 B7R1.4 C1CC(C(C1)O)N R465237 [0,1,0,1,0,0|2,0,0]=4 1460 B7R1.4 C1CC(C(C1)O)O I170645 [0,1,0,1,0,0|1,0,0]=3 1461 B7R1.4 C1CC(C(C1)O)O T471195 [0,1,0,1,0,0|1,0,0]=3 1462 B7R1.4 C1COC(=O)C1O H113417 [0,1,0,1,0,0|0,0,2]=4 1463 B7R1.4 C1COC(=O)C1O R591020 [0,1,0,1,0,0|0,0,2]=4 1464 B7R1.4 C1COC(=O)C1O S161076 [0,1,0,1,0,0|0,0,2]=4 1465 B7R1.4 C1COC(C1Cl)Cl D155242 [0,1,0,1,0,0|2,0,0]=4 1466 B7R1.4 CC1C(CCO1)S M102916 [0,1,0,1,0,0|1,1,0]=4 1467 B7R1.4 CC1CCCC1O B300625 [0,1,0,1,0,0|2,0,0]=4 1468 B7R1.6 C1C(CN1)CCO A174496 [0,1,0,1,0,0|2,0,0]=4 1469 B7R1.6 C1C(CO1)CCO O175897 [0,1,0,1,0,0|1,0,0]=3 1470 B7R1.10 C1C(CC1=O)CO H175239 [0,1,0,1,0,0|1,0,1]=4 1471 B7R1.25 C1C(CO1)(CN)N A174452 [0,1,0,1,0,0|2,0,0]=4 1472 B7R1.25 C1C(CO1)(CO)N A166900 [0,1,0,1,0,0|1,0,0]=3 1473 B7R1.25 C1CC(C1)(CN)O A175135 [0,1,0,1,0,0|2,0,0]=4 1474 B7R1.25 C1CC(C1)(CO)N A173832 [0,1,0,1,0,0|2,0,0]=4 1475 B7R1.25 CC1(COC1)CBr B177446 [0,1,0,1,0,0|2,0,0]=4 1476 B7R1.25 CC1(COC1)CCl C153820 [0,1,0,1,0,0|2,0,0]=4 1477 B7R1.25 CC1(COC1)CN M174504 [0,1,0,1,0,0|2,0,0]=4 1478 B7R1.25 CC1(COC1)CO M104534 [0,1,0,1,0,0|1,0,0]=3 1479 B7R1.18 C1C(CO1)C(=O)O O166062 [0,1,0,1,0,0|1,0,1]=4 1480 B7R1.23 C1C(C1(F)F)CO D122937 [0,1,0,1,0,0|2,0,0]=4 1481 B7R1.14 CC1(CCCC1)O M101087 [0,1,0,1,0,0|2,0,0]=4 1482 B7R1.14 CC1(CCNC1)O M172930 [0,1,0,1,0,0|2,0,0]=4 1483 B7R1.29 C1CC1(CN)CO A483504 [0,1,0,1,0,0|2,0,0]=4 1484 B7R1.29 C1CC1(CO)C#N H196149 [0,1,0,1,0,0|2,0,0]=4 1485 B7R1.29 C1CC1(CO)CO B303643 [0,1,0,1,0,0|1,0,0]=3 1486 B7R2.13 C1C2C(O2)CO1 E103092 [0,0,0,2,0,0|1,0,0]=3 1487 B7R2.13 C1C2C(O2)CO1 E616368 [0,0,0,2,0,0|1,0,0]=3 1488 B7R2.13 C1CC2C(C1)O2 C103079 [0,0,0,2,0,0|2,0,0]=4