0 B4R0.2 C#CCCBr B151807 [0,0,0,0,0,0|1,0,2]=3 1 B4R0.2 C#CCCN B195517 [0,0,0,0,0,0|1,0,2]=3 2 B4R0.2 C#CCCO B106249 [0,0,0,0,0,0|0,0,2]=2 3 B4R0.2 C(C#N)C#N M104481 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.2 C(C=CCl)Cl C470045 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.2 C(C=CCl)Cl D114577 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.2 C(C=CCl)Cl D115814 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.2 C(C=CCl)Cl D119391 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.2 C(C=CCl)Cl D128134 [0,0,0,0,0,0|2,0,2]=4 9 B4R0.2 C(C=CO)Cl R303195 [0,0,0,0,0,0|1,0,2]=3 10 B4R0.2 C(CBr)C#N B106916 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.2 C(CBr)CBr D104777 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.2 C(CBr)CBr D104778 [0,0,0,0,0,0|2,0,0]=2 13 B4R0.2 C(CCl)C#N C141146 [0,0,0,0,0,0|2,0,1]=3 14 B4R0.2 C(CCl)C#N C298757 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.2 C(CCl)CBr B105780 [0,0,0,0,0,0|2,0,0]=2 16 B4R0.2 C(CCl)CCl D109184 [0,0,0,0,0,0|2,0,0]=2 17 B4R0.2 C(CCl)CCl D109185 [0,0,0,0,0,0|2,0,0]=2 18 B4R0.2 C(CCl)CCl D113099 [0,0,0,0,0,0|2,0,0]=2 19 B4R0.2 C(CCl)CCl D128142 [0,0,0,0,0,0|2,0,0]=2 20 B4R0.2 C(CCl)CCl D140761 [0,0,0,0,0,0|2,0,0]=2 21 B4R0.2 C(CCl)CI C153543 [0,0,0,0,0,0|2,0,0]=2 22 B4R0.2 C(CF)CBr B303518 [0,0,0,0,0,0|2,0,0]=2 23 B4R0.2 C(CF)CI I184641 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.2 C(CI)CI D139104 [0,0,0,0,0,0|2,0,0]=2 25 B4R0.2 C(CN)C#N A107499 [0,0,0,0,0,0|2,0,1]=3 26 B4R0.2 C(CN)CBr B106915 [0,0,0,0,0,0|2,0,0]=2 27 B4R0.2 C(CN)CCl C102474 [0,0,0,0,0,0|2,0,0]=2 28 B4R0.2 C(CN)CN B151838 [0,0,0,0,0,0|2,0,0]=2 29 B4R0.2 C(CN)CN D154662 [0,0,0,0,0,0|2,0,0]=2 30 B4R0.2 C(CN)CN D155613 [0,0,0,0,0,0|2,0,0]=2 31 B4R0.2 C(CN)CN D155681 [0,0,0,0,0,0|2,0,0]=2 32 B4R0.2 C(CN)CN P103898 [0,0,0,0,0,0|2,0,0]=2 33 B4R0.2 C(CN)CN P492915 [0,0,0,0,0,0|2,0,0]=2 34 B4R0.2 C(CN)CN P494086 [0,0,0,0,0,0|2,0,0]=2 35 B4R0.2 C(CN)CO A106068 [0,0,0,0,0,0|1,0,0]=1 36 B4R0.2 C(CN)CO A106069 [0,0,0,0,0,0|1,0,0]=1 37 B4R0.2 C(CN)CO A151629 [0,0,0,0,0,0|1,0,0]=1 38 B4R0.2 C(CN)CO A299064 [0,0,0,0,0,0|1,0,0]=1 39 B4R0.2 C(CN)CS A476835 [0,0,0,0,0,0|1,1,0]=2 40 B4R0.2 C(CO)C#N H109415 [0,0,0,0,0,0|1,0,1]=2 41 B4R0.2 C(CO)C=O H588118 [0,0,0,0,0,0|1,0,1]=2 42 B4R0.2 C(CO)CBr B108055 [0,0,0,0,0,0|1,0,0]=1 43 B4R0.2 C(CO)CBr B140136 [0,0,0,0,0,0|1,0,0]=1 44 B4R0.2 C(CO)CCl C109471 [0,0,0,0,0,0|1,0,0]=1 45 B4R0.2 C(CO)CF F404475 [0,0,0,0,0,0|1,0,0]=1 46 B4R0.2 C(CO)CI I139105 [0,0,0,0,0,0|1,0,0]=1 47 B4R0.2 C(CO)CO P108206 [0,0,0,0,0,0|1,0,0]=1 48 B4R0.2 C(CO)CO P108207 [0,0,0,0,0,0|1,0,0]=1 49 B4R0.2 C(CO)CO P108208 [0,0,0,0,0,0|1,0,0]=1 50 B4R0.2 C(CO)CO P432773 [0,0,0,0,0,0|1,0,0]=1 51 B4R0.2 C(CO)CS M158215 [0,0,0,0,0,0|1,0,0]=1 52 B4R0.2 C(CO)NN H113414 [0,0,0,0,0,0|2,0,0]=2 53 B4R0.2 C(CON)N A193083 [0,0,0,0,0,0|3,0,0]=3 54 B4R0.2 C(CS)C#N M302020 [0,0,0,0,0,0|1,1,1]=3 55 B4R0.2 C(CS)CS P100845 [0,0,0,0,0,0|1,1,0]=2 56 B4R0.2 C=CCC#N A124212 [0,0,0,0,0,0|1,0,3]=4 57 B4R0.2 C=CCCBr B106906 [0,0,0,0,0,0|1,0,2]=3 58 B4R0.2 C=CCCCl C405543 [0,0,0,0,0,0|1,0,2]=3 59 B4R0.2 C=CCCN B167997 [0,0,0,0,0,0|1,0,2]=3 60 B4R0.2 C=CCCO B120318 [0,0,0,0,0,0|0,0,2]=2 61 B4R0.2 C=CCON O159949 [0,0,0,0,0,0|2,0,2]=4 62 B4R0.2 C=NCC#N M138017 [0,0,0,0,0,0|2,0,2]=4 63 B4R0.2 CC#CCO B111064 [0,0,0,0,0,0|0,0,2]=2 64 B4R0.2 CC=CC#N B111228 [0,0,0,0,0,0|1,0,3]=4 65 B4R0.2 CC=CCCl C153477 [0,0,0,0,0,0|1,0,2]=3 66 B4R0.2 CC=CCCl C153917 [0,0,0,0,0,0|1,0,2]=3 67 B4R0.2 CC=CCO C106252 [0,0,0,0,0,0|0,0,2]=2 68 B4R0.2 CCC#CC P160658 [0,0,0,0,0,0|1,0,2]=3 69 B4R0.2 CCC=C=C P160269 [0,0,0,0,0,0|1,0,2]=3 70 B4R0.2 CCCC=O B100299 [0,0,0,0,0,0|0,0,2]=2 71 B4R0.2 CCCC=O B100302 [0,0,0,0,0,0|0,0,2]=2 72 B4R0.2 CCCC=O B305593 [0,0,0,0,0,0|0,0,2]=2 73 B4R0.2 CCCCBr B105250 [0,0,0,0,0,0|1,0,0]=1 74 B4R0.2 CCCCBr B105252 [0,0,0,0,0,0|1,0,0]=1 75 B4R0.2 CCCCBr B105256 [0,0,0,0,0,0|1,0,0]=1 76 B4R0.2 CCCCBr B472078 [0,0,0,0,0,0|1,0,0]=1 77 B4R0.2 CCCCCl C103252 [0,0,0,0,0,0|1,0,0]=1 78 B4R0.2 CCCCCl C103253 [0,0,0,0,0,0|1,0,0]=1 79 B4R0.2 CCCCCl C103255 [0,0,0,0,0,0|1,0,0]=1 80 B4R0.2 CCCCCl C103256 [0,0,0,0,0,0|1,0,0]=1 81 B4R0.2 CCCCCl C118434 [0,0,0,0,0,0|1,0,0]=1 82 B4R0.2 CCCCI I108560 [0,0,0,0,0,0|1,0,0]=1 83 B4R0.2 CCCCN B110356 [0,0,0,0,0,0|1,0,0]=1 84 B4R0.2 CCCCN B110357 [0,0,0,0,0,0|1,0,0]=1 85 B4R0.2 CCCCN B110358 [0,0,0,0,0,0|1,0,0]=1 86 B4R0.2 CCCCN B110359 [0,0,0,0,0,0|1,0,0]=1 87 B4R0.2 CCCCN B152519 [0,0,0,0,0,0|1,0,0]=1 88 B4R0.2 CCCCN B152886 [0,0,0,0,0,0|1,0,0]=1 89 B4R0.2 CCCCN B152948 [0,0,0,0,0,0|1,0,0]=1 90 B4R0.2 CCCCN B491792 [0,0,0,0,0,0|1,0,0]=1 91 B4R0.2 CCCCN B492127 [0,0,0,0,0,0|1,0,0]=1 92 B4R0.2 CCCCN B492132 [0,0,0,0,0,0|1,0,0]=1 93 B4R0.2 CCCCN B492157 [0,0,0,0,0,0|1,0,0]=1 94 B4R0.2 CCCCN B494094 [0,0,0,0,0,0|1,0,0]=1 95 B4R0.2 CCCCO B111569 [0,0,0,0,0,0|0,0,0]=0 96 B4R0.2 CCCCO B111571 [0,0,0,0,0,0|0,0,0]=0 97 B4R0.2 CCCCO B111573 [0,0,0,0,0,0|0,0,0]=0 98 B4R0.2 CCCCO B111575 [0,0,0,0,0,0|0,0,0]=0 99 B4R0.2 CCCCO B111577 [0,0,0,0,0,0|0,0,0]=0 100 B4R0.2 CCCCO B111578 [0,0,0,0,0,0|0,0,0]=0 101 B4R0.2 CCCCO B111580 [0,0,0,0,0,0|0,0,0]=0 102 B4R0.2 CCCCO B111581 [0,0,0,0,0,0|0,0,0]=0 103 B4R0.2 CCCCO B119677 [0,0,0,0,0,0|0,0,0]=0 104 B4R0.2 CCCCO B400251 [0,0,0,0,0,0|0,0,0]=0 105 B4R0.2 CCCCO B433378 [0,0,0,0,0,0|0,0,0]=0 106 B4R0.2 CCCCO B474143 [0,0,0,0,0,0|0,0,0]=0 107 B4R0.2 CCCCO H348242 [0,0,0,0,0,0|0,0,0]=0 108 B4R0.2 CCCCO P340766 [0,0,0,0,0,0|0,0,0]=0 109 B4R0.2 CCCCS B105716 [0,0,0,0,0,0|0,1,0]=1 110 B4R0.2 CCCCS B105717 [0,0,0,0,0,0|0,1,0]=1 111 B4R0.2 CCCC[CH2-] P331063 [0,0,0,0,0,0|1,0,0]=1 112 B4R0.2 CCCC[CH2-] P466408 [0,0,0,0,0,0|1,0,0]=1 113 B4R0.2 CCCC[O-] N335856 [0,0,0,0,0,0|0,0,1]=1 114 B4R0.2 CCCC[O-] T104104 [0,0,0,0,0,0|0,0,1]=1 115 B4R0.2 CCCC[O-] T104105 [0,0,0,0,0,0|0,0,1]=1 116 B4R0.2 CCCC[O-] T304454 [0,0,0,0,0,0|0,0,1]=1 117 B4R0.2 CCCC[O-] T350722 [0,0,0,0,0,0|0,0,1]=1 118 B4R0.2 CCCC[O-] Z106334 [0,0,0,0,0,0|0,0,1]=1 119 B4R0.2 CCCNC M124663 [0,0,0,0,0,0|2,0,0]=2 120 B4R0.2 CCCSC M158417 [0,0,0,0,0,0|2,0,0]=2 121 B4R0.2 CCN=C=S E140613 [0,0,0,0,0,0|1,1,1]=3 122 B4R0.2 CCNC=O N159329 [0,0,0,0,0,0|1,0,2]=3 123 B4R0.2 CCNCC D110465 [0,0,0,0,0,0|2,0,0]=2 124 B4R0.2 CCNCC D110466 [0,0,0,0,0,0|2,0,0]=2 125 B4R0.2 CCNCC D110469 [0,0,0,0,0,0|2,0,0]=2 126 B4R0.2 CCNCC D110470 [0,0,0,0,0,0|2,0,0]=2 127 B4R0.2 CCNCC D154676 [0,0,0,0,0,0|2,0,0]=2 128 B4R0.2 CCNCC D155612 [0,0,0,0,0,0|2,0,0]=2 129 B4R0.2 CCNCC E102892 [0,0,0,0,0,0|2,0,0]=2 130 B4R0.2 CCNCC E102893 [0,0,0,0,0,0|2,0,0]=2 131 B4R0.2 CCOC#C E113364 [0,0,0,0,0,0|2,0,1]=3 132 B4R0.2 CCOC#C E579852 [0,0,0,0,0,0|2,0,1]=3 133 B4R0.2 CCOC=C P475896 [0,0,0,0,0,0|2,0,1]=3 134 B4R0.2 CCOC=O E110412 [0,0,0,0,0,0|1,0,2]=3 135 B4R0.2 CCOC=O E110414 [0,0,0,0,0,0|1,0,2]=3 136 B4R0.2 CCOC=O E110415 [0,0,0,0,0,0|1,0,2]=3 137 B4R0.2 CCOC=O E110417 [0,0,0,0,0,0|1,0,2]=3 138 B4R0.2 CCOC=O E139940 [0,0,0,0,0,0|1,0,2]=3 139 B4R0.2 CCOCC B104430 [0,0,0,0,0,0|2,0,0]=2 140 B4R0.2 CCOCC B104431 [0,0,0,0,0,0|2,0,0]=2 141 B4R0.2 CCOCC B299094 [0,0,0,0,0,0|2,0,0]=2 142 B4R0.2 CCOCC B431395 [0,0,0,0,0,0|2,0,0]=2 143 B4R0.2 CCOCC M345280 [0,0,0,0,0,0|2,0,0]=2 144 B4R0.2 CCOCC T189182 [0,0,0,0,0,0|2,0,0]=2 145 B4R0.2 CCOCC T498340 [0,0,0,0,0,0|2,0,0]=2 146 B4R0.2 CCOCCl C137178 [0,0,0,0,0,0|2,0,0]=2 147 B4R0.2 CCSC#N E156402 [0,0,0,0,0,0|2,0,1]=3 148 B4R0.2 CCSC=C E156347 [0,0,0,0,0,0|2,0,1]=3 149 B4R0.2 CCSCC C130098 [0,0,0,0,0,0|2,0,0]=2 150 B4R0.2 CCSCC D105796 [0,0,0,0,0,0|2,0,0]=2 151 B4R0.2 CC[N-]CC L283253 [0,0,0,0,0,0|2,0,0]=2 152 B4R0.2 CC[Si]CC D331180 [0,0,0,0,0,0|1,1,0]=2 153 B4R0.2 CNCC#C N467806 [0,0,0,0,0,0|2,0,1]=3 154 B4R0.2 CNCC#N M102241 [0,0,0,0,0,0|2,0,1]=3 155 B4R0.2 CNCC#N M158300 [0,0,0,0,0,0|2,0,1]=3 156 B4R0.2 CNCC=C I136680 [0,0,0,0,0,0|2,0,1]=3 157 B4R0.2 CNCCBr B589001 [0,0,0,0,0,0|2,0,0]=2 158 B4R0.2 CNCCCl M303747 [0,0,0,0,0,0|2,0,0]=2 159 B4R0.2 CNCCN N159347 [0,0,0,0,0,0|2,0,0]=2 160 B4R0.2 CNCCO M106448 [0,0,0,0,0,0|1,0,0]=1 161 B4R0.2 CNCCO M589702 [0,0,0,0,0,0|1,0,0]=1 162 B4R0.2 COCC#C M157951 [0,0,0,0,0,0|2,0,1]=3 163 B4R0.2 COCC#N M158576 [0,0,0,0,0,0|2,0,1]=3 164 B4R0.2 COCC=C A135232 [0,0,0,0,0,0|2,0,1]=3 165 B4R0.2 COCCBr B139139 [0,0,0,0,0,0|2,0,0]=2 166 B4R0.2 COCCCl C108060 [0,0,0,0,0,0|2,0,0]=2 167 B4R0.2 COCCN M138018 [0,0,0,0,0,0|2,0,0]=2 168 B4R0.2 COCCN M404735 [0,0,0,0,0,0|2,0,0]=2 169 B4R0.2 COCCN M493557 [0,0,0,0,0,0|2,0,0]=2 170 B4R0.2 COCCO M102852 [0,0,0,0,0,0|1,0,0]=1 171 B4R0.2 COCCO M102853 [0,0,0,0,0,0|1,0,0]=1 172 B4R0.2 COCCO M102854 [0,0,0,0,0,0|1,0,0]=1 173 B4R0.2 COCCO M102855 [0,0,0,0,0,0|1,0,0]=1 174 B4R0.2 COCCO M102856 [0,0,0,0,0,0|1,0,0]=1 175 B4R0.2 COCCO M102857 [0,0,0,0,0,0|1,0,0]=1 176 B4R0.2 COCCO M102858 [0,0,0,0,0,0|1,0,0]=1 177 B4R0.2 COCCO M119725 [0,0,0,0,0,0|1,0,0]=1 178 B4R0.2 COCOC D101433 [0,0,0,0,0,0|3,0,0]=3 179 B4R0.2 COCOC D101436 [0,0,0,0,0,0|3,0,0]=3 180 B4R0.2 COCOC F431409 [0,0,0,0,0,0|3,0,0]=3 181 B4R0.2 CSCC#N M158307 [0,0,0,0,0,0|2,0,1]=3 182 B4R0.2 CSCC=C A101060 [0,0,0,0,0,0|2,0,1]=3 183 B4R0.2 CSCCCl C153648 [0,0,0,0,0,0|2,0,0]=2 184 B4R0.2 CSCCN M113671 [0,0,0,0,0,0|2,0,0]=2 185 B4R0.2 CSCCN M194629 [0,0,0,0,0,0|2,0,0]=2 186 B4R0.2 CSCCO M138946 [0,0,0,0,0,0|1,0,0]=1 187 B4R0.2 CSCSC B140648 [0,0,0,0,0,0|3,0,0]=3 188 B4R0.2 CSSSC D103087 [0,0,0,0,0,0|4,0,0]=4 189 B4R0.2 N#CCC#N M141176 [0,0,0,0,0,0|2,0,2]=4 190 B3R0.1 C#CCBr P106960 [1,0,0,0,0,0|1,0,2]=4 191 B3R0.1 C#CCBr P106961 [1,0,0,0,0,0|1,0,2]=4 192 B3R0.1 C#CCCl P111454 [1,0,0,0,0,0|1,0,2]=4 193 B3R0.1 C#CCN P122408 [1,0,0,0,0,0|1,0,2]=4 194 B3R0.1 C#CCN P141472 [1,0,0,0,0,0|1,0,2]=4 195 B3R0.1 C#CCN p103552 [1,0,0,0,0,0|1,0,2]=4 196 B3R0.1 C(C#N)Br B104455 [1,0,0,0,0,0|2,0,1]=4 197 B3R0.1 C(C#N)Cl C107567 [1,0,0,0,0,0|2,0,1]=4 198 B3R0.1 C(C#N)F F101948 [1,0,0,0,0,0|2,0,1]=4 199 B3R0.1 C(C#N)I I102484 [1,0,0,0,0,0|2,0,1]=4 200 B3R0.1 C(C#N)N A137266 [1,0,0,0,0,0|2,0,1]=4 201 B3R0.1 C(C#N)N A342115 [1,0,0,0,0,0|2,0,1]=4 202 B3R0.1 C(CBr)Cl B106996 [1,0,0,0,0,0|2,0,0]=3 203 B3R0.1 C(CBr)N B109291 [1,0,0,0,0,0|2,0,0]=3 204 B3R0.1 C(CBr)O B111177 [1,0,0,0,0,0|1,0,0]=2 205 B3R0.1 C(CBr)O B111178 [1,0,0,0,0,0|1,0,0]=2 206 B3R0.1 C(CBr)O B136478 [1,0,0,0,0,0|1,0,0]=2 207 B3R0.1 C(CCl)Cl D115109 [1,0,0,0,0,0|2,0,0]=3 208 B3R0.1 C(CCl)Cl D116246 [1,0,0,0,0,0|2,0,0]=3 209 B3R0.1 C(CCl)Cl D116247 [1,0,0,0,0,0|2,0,0]=3 210 B3R0.1 C(CCl)Cl D116248 [1,0,0,0,0,0|2,0,0]=3 211 B3R0.1 C(CCl)Cl D116249 [1,0,0,0,0,0|2,0,0]=3 212 B3R0.1 C(CCl)Cl D116251 [1,0,0,0,0,0|2,0,0]=3 213 B3R0.1 C(CCl)Cl D116253 [1,0,0,0,0,0|2,0,0]=3 214 B3R0.1 C(CCl)Cl D119458 [1,0,0,0,0,0|2,0,0]=3 215 B3R0.1 C(CCl)Cl D128127 [1,0,0,0,0,0|2,0,0]=3 216 B3R0.1 C(CCl)Cl D431341 [1,0,0,0,0,0|2,0,0]=3 217 B3R0.1 C(CCl)N C107599 [1,0,0,0,0,0|2,0,0]=3 218 B3R0.1 C(CF)N F138873 [1,0,0,0,0,0|2,0,0]=3 219 B3R0.1 C(CF)O F110315 [1,0,0,0,0,0|1,0,0]=2 220 B3R0.1 C(CI)Cl C140416 [1,0,0,0,0,0|2,0,0]=3 221 B3R0.1 C(CI)F F194951 [1,0,0,0,0,0|2,0,0]=3 222 B3R0.1 C(CI)I D155311 [1,0,0,0,0,0|2,0,0]=3 223 B3R0.1 C(CI)O I137311 [1,0,0,0,0,0|1,0,0]=2 224 B3R0.1 C(CI)O I575056 [1,0,0,0,0,0|1,0,0]=2 225 B3R0.1 C(CN)N D129174 [1,0,0,0,0,0|2,0,0]=3 226 B3R0.1 C(CN)N D189014 [1,0,0,0,0,0|2,0,0]=3 227 B3R0.1 C(CN)N E108437 [1,0,0,0,0,0|2,0,0]=3 228 B3R0.1 C(CN)N E112132 [1,0,0,0,0,0|2,0,0]=3 229 B3R0.1 C(CN)N E112640 [1,0,0,0,0,0|2,0,0]=3 230 B3R0.1 C(CN)N E112642 [1,0,0,0,0,0|2,0,0]=3 231 B3R0.1 C(CN)N E112643 [1,0,0,0,0,0|2,0,0]=3 232 B3R0.1 C(CN)N E137281 [1,0,0,0,0,0|2,0,0]=3 233 B3R0.1 C(CN)N E156113 [1,0,0,0,0,0|2,0,0]=3 234 B3R0.1 C(CN)N E431349 [1,0,0,0,0,0|2,0,0]=3 235 B3R0.1 C(CN)N E468771 [1,0,0,0,0,0|2,0,0]=3 236 B3R0.1 C(CN)N E472137 [1,0,0,0,0,0|2,0,0]=3 237 B3R0.1 C(CN)N E492758 [1,0,0,0,0,0|2,0,0]=3 238 B3R0.1 C(CN)N E492761 [1,0,0,0,0,0|2,0,0]=3 239 B3R0.1 C(CN)N E492905 [1,0,0,0,0,0|2,0,0]=3 240 B3R0.1 C(CN)N P121256 [1,0,0,0,0,0|2,0,0]=3 241 B3R0.1 C(CO)N A301834 [1,0,0,0,0,0|1,0,0]=2 242 B3R0.1 C(CO)N E103802 [1,0,0,0,0,0|1,0,0]=2 243 B3R0.1 C(CO)N E103806 [1,0,0,0,0,0|1,0,0]=2 244 B3R0.1 C(CO)N E103808 [1,0,0,0,0,0|1,0,0]=2 245 B3R0.1 C(CO)N E103809 [1,0,0,0,0,0|1,0,0]=2 246 B3R0.1 C(CO)N E103810 [1,0,0,0,0,0|1,0,0]=2 247 B3R0.1 C(CO)N E120635 [1,0,0,0,0,0|1,0,0]=2 248 B3R0.1 C(CO)N E292771 [1,0,0,0,0,0|1,0,0]=2 249 B3R0.1 C(CO)N E292783 [1,0,0,0,0,0|1,0,0]=2 250 B3R0.1 C(CO)N E301792 [1,0,0,0,0,0|1,0,0]=2 251 B3R0.1 C(CO)N E422436 [1,0,0,0,0,0|1,0,0]=2 252 B3R0.1 C(CO)N E491883 [1,0,0,0,0,0|1,0,0]=2 253 B3R0.1 C(CO)O E103318 [1,0,0,0,0,0|1,0,0]=2 254 B3R0.1 C(CO)O E103319 [1,0,0,0,0,0|1,0,0]=2 255 B3R0.1 C(CO)O E103321 [1,0,0,0,0,0|1,0,0]=2 256 B3R0.1 C(CO)O E103322 [1,0,0,0,0,0|1,0,0]=2 257 B3R0.1 C(CO)O E103323 [1,0,0,0,0,0|1,0,0]=2 258 B3R0.1 C(CO)O E119700 [1,0,0,0,0,0|1,0,0]=2 259 B3R0.1 C(CO)O E336117 [1,0,0,0,0,0|1,0,0]=2 260 B3R0.1 C(CO)O E431350 [1,0,0,0,0,0|1,0,0]=2 261 B3R0.1 C(CO)O E472164 [1,0,0,0,0,0|1,0,0]=2 262 B3R0.1 C(CS)N C106201 [1,0,0,0,0,0|1,1,0]=3 263 B3R0.1 C(CS)N C106461 [1,0,0,0,0,0|1,1,0]=3 264 B3R0.1 C(CS)N C406662 [1,0,0,0,0,0|1,1,0]=3 265 B3R0.1 C(CS)N C421874 [1,0,0,0,0,0|1,1,0]=3 266 B3R0.1 C(CS)N C425002 [1,0,0,0,0,0|1,1,0]=3 267 B3R0.1 C(CS)N E491887 [1,0,0,0,0,0|1,1,0]=3 268 B3R0.1 C(CS)O M274256 [1,0,0,0,0,0|1,0,0]=2 269 B3R0.1 C(CS)O M301573 [1,0,0,0,0,0|1,0,0]=2 270 B3R0.1 C(CS)O M301574 [1,0,0,0,0,0|1,0,0]=2 271 B3R0.1 C(CS)S E106222 [1,0,0,0,0,0|1,1,0]=3 272 B3R0.1 C=CCBr A108658 [1,0,0,0,0,0|1,0,2]=4 273 B3R0.1 C=CCCl A103820 [1,0,0,0,0,0|1,0,2]=4 274 B3R0.1 C=CCCl A103821 [1,0,0,0,0,0|1,0,2]=4 275 B3R0.1 C=CCCl A103822 [1,0,0,0,0,0|1,0,2]=4 276 B3R0.1 C=CCCl A141152 [1,0,0,0,0,0|1,0,2]=4 277 B3R0.1 C=CCI A109401 [1,0,0,0,0,0|1,0,2]=4 278 B3R0.1 C=CCN A123283 [1,0,0,0,0,0|1,0,2]=4 279 B3R0.1 C=CCN P194734 [1,0,0,0,0,0|1,0,2]=4 280 B3R0.1 C=CCN P432587 [1,0,0,0,0,0|1,0,2]=4 281 B3R0.1 C=CCN P433384 [1,0,0,0,0,0|1,0,2]=4 282 B3R0.1 C=CCN P433385 [1,0,0,0,0,0|1,0,2]=4 283 B3R0.1 CC=CBr B120309 [1,0,0,0,0,0|1,0,2]=4 284 B3R0.1 CC=CBr B151977 [1,0,0,0,0,0|1,0,2]=4 285 B3R0.1 CC=NO A108687 [1,0,0,0,0,0|1,0,1]=3 286 B3R0.1 CCC=O P100053 [1,0,0,0,0,0|0,0,2]=3 287 B3R0.1 CCC=O P100055 [1,0,0,0,0,0|0,0,2]=3 288 B3R0.1 CCCBr P105781 [1,0,0,0,0,0|1,0,0]=2 289 B3R0.1 CCCBr P105782 [1,0,0,0,0,0|1,0,0]=2 290 B3R0.1 CCCCl C109186 [1,0,0,0,0,0|1,0,0]=2 291 B3R0.1 CCCCl C109187 [1,0,0,0,0,0|1,0,0]=2 292 B3R0.1 CCCI I108561 [1,0,0,0,0,0|1,0,0]=2 293 B3R0.1 CCCN P100388 [1,0,0,0,0,0|1,0,0]=2 294 B3R0.1 CCCN P100389 [1,0,0,0,0,0|1,0,0]=2 295 B3R0.1 CCCN P100390 [1,0,0,0,0,0|1,0,0]=2 296 B3R0.1 CCCN P160475 [1,0,0,0,0,0|1,0,0]=2 297 B3R0.1 CCCN P160642 [1,0,0,0,0,0|1,0,0]=2 298 B3R0.1 CCCN P160706 [1,0,0,0,0,0|1,0,0]=2 299 B3R0.1 CCCN P492083 [1,0,0,0,0,0|1,0,0]=2 300 B3R0.1 CCCN P492097 [1,0,0,0,0,0|1,0,0]=2 301 B3R0.1 CCCN P492100 [1,0,0,0,0,0|1,0,0]=2 302 B3R0.1 CCCO P110342 [1,0,0,0,0,0|0,0,0]=1 303 B3R0.1 CCCO P110343 [1,0,0,0,0,0|0,0,0]=1 304 B3R0.1 CCCO P110345 [1,0,0,0,0,0|0,0,0]=1 305 B3R0.1 CCCO P110346 [1,0,0,0,0,0|0,0,0]=1 306 B3R0.1 CCCO P110347 [1,0,0,0,0,0|0,0,0]=1 307 B3R0.1 CCCO P110348 [1,0,0,0,0,0|0,0,0]=1 308 B3R0.1 CCCO P119680 [1,0,0,0,0,0|0,0,0]=1 309 B3R0.1 CCCO P301085 [1,0,0,0,0,0|0,0,0]=1 310 B3R0.1 CCCO V343786 [1,0,0,0,0,0|0,0,0]=1 311 B3R0.1 CCCS P100008 [1,0,0,0,0,0|0,1,0]=2 312 B3R0.1 CCCS P103444 [1,0,0,0,0,0|0,1,0]=2 313 B3R0.1 CCC[CH2-] B140756 [1,0,0,0,0,0|0,0,1]=2 314 B3R0.1 CCC[CH2-] B465987 [1,0,0,0,0,0|0,0,1]=2 315 B3R0.1 CCC[CH2-] L337344 [1,0,0,0,0,0|0,0,1]=2 316 B3R0.1 CCC[CH2-] N431405 [1,0,0,0,0,0|0,0,1]=2 317 B3R0.1 CCC[CH2-] N466053 [1,0,0,0,0,0|0,0,1]=2 318 B3R0.1 CCC[O-] T349490 [1,0,0,0,0,0|0,0,1]=2 319 B3R0.1 CCC[O-] Z106340 [1,0,0,0,0,0|0,0,1]=2 320 B3R0.1 CCC[S-] S330727 [1,0,0,0,0,0|0,1,0]=2 321 B3R0.1 CCNO N193370 [1,0,0,0,0,0|1,0,0]=2 322 B3R0.1 CCON E135458 [1,0,0,0,0,0|2,0,0]=3 323 B3R0.1 CCSC E140654 [1,0,0,0,0,0|1,0,0]=2 324 B3R0.1 CC[CH-]C D404094 [1,0,0,0,0,0|0,0,1]=2 325 B3R0.1 CC[N-]C T282369 [1,0,0,0,0,0|1,0,0]=2 326 B3R0.1 CC[N-]C T282378 [1,0,0,0,0,0|1,0,0]=2 327 B3R0.1 CC[N-]C T283555 [1,0,0,0,0,0|1,0,0]=2 328 B3R0.1 CNC=O M107591 [1,0,0,0,0,0|1,0,2]=4 329 B3R0.1 CNOC D123576 [1,0,0,0,0,0|2,0,0]=3 330 B3R0.1 COC=C P304875 [1,0,0,0,0,0|1,0,2]=4 331 B3R0.1 COCBr B138143 [1,0,0,0,0,0|2,0,0]=3 332 B3R0.1 CSC#N M158325 [1,0,0,0,0,0|2,0,1]=4 333 B3R0.1 CSCCl C153265 [1,0,0,0,0,0|2,0,0]=3 334 B3R0.1 C[Se][Se]C D133995 [1,0,0,0,0,0|2,0,0]=3 335 B5R0.1 B(CCC)(O)O P120303 [0,1,0,0,0,0|1,0,0]=2 336 B5R0.1 C#CCC(=O)O B168856 [0,1,0,0,0,0|0,0,3]=4 337 B5R0.1 C(C#N)C(=O)O C105698 [0,1,0,0,0,0|1,0,2]=4 338 B5R0.1 C(C(=O)O)ON C109697 [0,1,0,0,0,0|2,0,1]=4 339 B5R0.1 C(CBr)C(=O)Cl B135557 [0,1,0,0,0,0|1,0,2]=4 340 B5R0.1 C(CBr)C(=O)N B152335 [0,1,0,0,0,0|1,0,2]=4 341 B5R0.1 C(CBr)C(=O)O B106081 [0,1,0,0,0,0|1,0,1]=3 342 B5R0.1 C(CCl)C(=O)Cl C109466 [0,1,0,0,0,0|1,0,2]=4 343 B5R0.1 C(CCl)C(=O)N C171099 [0,1,0,0,0,0|1,0,2]=4 344 B5R0.1 C(CCl)C(=O)O C106515 [0,1,0,0,0,0|1,0,1]=3 345 B5R0.1 C(CI)C(=O)O I157542 [0,1,0,0,0,0|1,0,1]=3 346 B5R0.1 C(CN)C(=O)N B135870 [0,1,0,0,0,0|1,0,2]=4 347 B5R0.1 C(CN)C(=O)O A105703 [0,1,0,0,0,0|1,0,1]=3 348 B5R0.1 C(CN)C(=O)O A137901 [0,1,0,0,0,0|1,0,1]=3 349 B5R0.1 C(CN)C(=O)O A494514 [0,1,0,0,0,0|1,0,1]=3 350 B5R0.1 C(CO)C(=O)O H136635 [0,1,0,0,0,0|1,0,1]=3 351 B5R0.1 C(CO)[N+](=O)[O-] N110256 [0,1,0,0,0,0|2,0,0]=3 352 B5R0.1 C(CS(=O)O)N H303371 [0,1,0,0,0,0|2,0,0]=3 353 B5R0.1 C(CS)C(=O)O M103035 [0,1,0,0,0,0|1,0,1]=3 354 B5R0.1 C(CS)C(=O)O M103036 [0,1,0,0,0,0|1,0,1]=3 355 B5R0.1 C(CS)C(=O)O M590994 [0,1,0,0,0,0|1,0,1]=3 356 B5R0.1 C=CCC(=O)O B152769 [0,1,0,0,0,0|0,0,3]=4 357 B5R0.1 C=CCC(=O)O B152771 [0,1,0,0,0,0|0,0,3]=4 358 B5R0.1 CC#CC(=O)O B113384 [0,1,0,0,0,0|0,0,3]=4 359 B5R0.1 CC#CC(C)C M157953 [0,1,0,0,0,0|1,0,2]=4 360 B5R0.1 CC(=C)CCO M158231 [0,1,0,0,0,0|0,0,1]=2 361 B5R0.1 CC(=CCBr)C D104495 [0,1,0,0,0,0|1,0,2]=4 362 B5R0.1 CC(=CCBr)C D104497 [0,1,0,0,0,0|1,0,2]=4 363 B5R0.1 CC(=CCCl)C C189147 [0,1,0,0,0,0|1,0,2]=4 364 B5R0.1 CC(=CCCl)C C638572 [0,1,0,0,0,0|1,0,2]=4 365 B5R0.1 CC(=CCO)C M106454 [0,1,0,0,0,0|0,0,2]=3 366 B5R0.1 CC(=CCO)C M106455 [0,1,0,0,0,0|0,0,2]=3 367 B5R0.1 CC(=O)CCO H106330 [0,1,0,0,0,0|0,0,1]=2 368 B5R0.1 CC(=O)COC M158844 [0,1,0,0,0,0|1,0,2]=4 369 B5R0.1 CC(=O)NCO A151630 [0,1,0,0,0,0|1,0,1]=3 370 B5R0.1 CC(=O)OCBr B122544 [0,1,0,0,0,0|2,0,1]=4 371 B5R0.1 CC(=O)OCCl C194261 [0,1,0,0,0,0|2,0,1]=4 372 B5R0.1 CC(C)CC#C M157952 [0,1,0,0,0,0|1,0,1]=3 373 B5R0.1 CC(C)CC#N I137312 [0,1,0,0,0,0|1,0,1]=3 374 B5R0.1 CC(C)CC=C M158219 [0,1,0,0,0,0|1,0,1]=3 375 B5R0.1 CC(C)CC=O I103729 [0,1,0,0,0,0|0,0,2]=3 376 B5R0.1 CC(C)CC=O I103733 [0,1,0,0,0,0|0,0,2]=3 377 B5R0.1 CC(C)CCBr I109279 [0,1,0,0,0,0|1,0,0]=2 378 B5R0.1 CC(C)CCCl C105682 [0,1,0,0,0,0|1,0,0]=2 379 B5R0.1 CC(C)CCI I100674 [0,1,0,0,0,0|1,0,0]=2 380 B5R0.1 CC(C)CCN I109581 [0,1,0,0,0,0|1,0,0]=2 381 B5R0.1 CC(C)CCN I404590 [0,1,0,0,0,0|1,0,0]=2 382 B5R0.1 CC(C)CCO M116196 [0,1,0,0,0,0|0,0,0]=1 383 B5R0.1 CC(C)CCO M116197 [0,1,0,0,0,0|0,0,0]=1 384 B5R0.1 CC(C)CCO M116198 [0,1,0,0,0,0|0,0,0]=1 385 B5R0.1 CC(C)CCO M116200 [0,1,0,0,0,0|0,0,0]=1 386 B5R0.1 CC(C)CCO M116201 [0,1,0,0,0,0|0,0,0]=1 387 B5R0.1 CC(C)CCO M119838 [0,1,0,0,0,0|0,0,0]=1 388 B5R0.1 CC(C)CCS M101609 [0,1,0,0,0,0|0,1,0]=2 389 B5R0.1 CC(C)CNN I588327 [0,1,0,0,0,0|2,0,0]=3 390 B5R0.1 CC(C)C[Zn]Br I465880 [0,1,0,0,0,0|2,0,0]=3 391 B5R0.1 CC(C)N=C=S I138525 [0,1,0,0,0,0|1,1,1]=4 392 B5R0.1 CC(C)OC=O I112304 [0,1,0,0,0,0|1,0,2]=4 393 B5R0.1 CC(C)OCCl C189120 [0,1,0,0,0,0|2,0,0]=3 394 B5R0.1 CC(C)SC#N I349763 [0,1,0,0,0,0|2,0,1]=4 395 B5R0.1 CC(CC#C)O P160660 [0,1,0,0,0,0|0,0,2]=3 396 B5R0.1 CC(CC=C)O P160534 [0,1,0,0,0,0|0,0,2]=3 397 B5R0.1 CC(CC=C)O R467366 [0,1,0,0,0,0|0,0,2]=3 398 B5R0.1 CC(CC=C)O S467331 [0,1,0,0,0,0|0,0,2]=3 399 B5R0.1 CC(CCBr)Br D155315 [0,1,0,0,0,0|1,0,0]=2 400 B5R0.1 CC(CCBr)O B589640 [0,1,0,0,0,0|1,0,0]=2 401 B5R0.1 CC(CCCl)Cl D155308 [0,1,0,0,0,0|1,0,0]=2 402 B5R0.1 CC(CCO)N A123608 [0,1,0,0,0,0|0,0,0]=1 403 B5R0.1 CC(CCO)N A183438 [0,1,0,0,0,0|0,0,0]=1 404 B5R0.1 CC(CCO)N S176942 [0,1,0,0,0,0|0,0,0]=1 405 B5R0.1 CC(CCO)O B111016 [0,1,0,0,0,0|0,0,0]=1 406 B5R0.1 CC(CCO)O B111017 [0,1,0,0,0,0|0,0,0]=1 407 B5R0.1 CC(CCO)O B111018 [0,1,0,0,0,0|0,0,0]=1 408 B5R0.1 CC(CCO)O B119672 [0,1,0,0,0,0|0,0,0]=1 409 B5R0.1 CC(CCO)O R160960 [0,1,0,0,0,0|0,0,0]=1 410 B5R0.1 CC(CCO)O S138551 [0,1,0,0,0,0|0,0,0]=1 411 B5R0.1 CC(CNC)O M587581 [0,1,0,0,0,0|1,0,0]=2 412 B5R0.1 CC(COC)N M169973 [0,1,0,0,0,0|2,0,0]=3 413 B5R0.1 CC(COC)N S475332 [0,1,0,0,0,0|2,0,0]=3 414 B5R0.1 CC(COC)N S586466 [0,1,0,0,0,0|2,0,0]=3 415 B5R0.1 CC(COC)O M105264 [0,1,0,0,0,0|1,0,0]=2 416 B5R0.1 CC(COC)O M105265 [0,1,0,0,0,0|1,0,0]=2 417 B5R0.1 CC(COC)O M105266 [0,1,0,0,0,0|1,0,0]=2 418 B5R0.1 CC(COC)O M299436 [0,1,0,0,0,0|1,0,0]=2 419 B5R0.1 CC(COC)O R160841 [0,1,0,0,0,0|1,0,0]=2 420 B5R0.1 CC(COC)O S161357 [0,1,0,0,0,0|1,0,0]=2 421 B5R0.1 CC=CC(=O)O C104149 [0,1,0,0,0,0|0,0,3]=4 422 B5R0.1 CC=CC(=O)O C104150 [0,1,0,0,0,0|0,0,3]=4 423 B5R0.1 CC=CC(C)C M158236 [0,1,0,0,0,0|1,0,2]=4 424 B5R0.1 CC=CC(C)C T162379 [0,1,0,0,0,0|1,0,2]=4 425 B5R0.1 CCC=C(C)C M158233 [0,1,0,0,0,0|1,0,2]=4 426 B5R0.1 CCCC(=C)C M158211 [0,1,0,0,0,0|1,0,1]=3 427 B5R0.1 CCCC(=O)C P103780 [0,1,0,0,0,0|0,0,2]=3 428 B5R0.1 CCCC(=O)C P103781 [0,1,0,0,0,0|0,0,2]=3 429 B5R0.1 CCCC(=O)C P103782 [0,1,0,0,0,0|0,0,2]=3 430 B5R0.1 CCCC(=O)C P103783 [0,1,0,0,0,0|0,0,2]=3 431 B5R0.1 CCCC(=O)Cl B108666 [0,1,0,0,0,0|0,0,2]=3 432 B5R0.1 CCCC(=O)N B152329 [0,1,0,0,0,0|0,0,2]=3 433 B5R0.1 CCCC(=O)O B110438 [0,1,0,0,0,0|0,0,1]=2 434 B5R0.1 CCCC(=O)O B110439 [0,1,0,0,0,0|0,0,1]=2 435 B5R0.1 CCCC(=O)O B110440 [0,1,0,0,0,0|0,0,1]=2 436 B5R0.1 CCCC(=O)O B110442 [0,1,0,0,0,0|0,0,1]=2 437 B5R0.1 CCCC(=O)O B274612 [0,1,0,0,0,0|0,0,1]=2 438 B5R0.1 CCCC(=O)O B431361 [0,1,0,0,0,0|0,0,1]=2 439 B5R0.1 CCCC(=O)[O-] S102954 [0,1,0,0,0,0|0,0,2]=3 440 B5R0.1 CCCC(=O)[O-] S102956 [0,1,0,0,0,0|0,0,2]=3 441 B5R0.1 CCCC(=O)[O-] S346178 [0,1,0,0,0,0|0,0,2]=3 442 B5R0.1 CCCC(=O)[O-] S421873 [0,1,0,0,0,0|0,0,2]=3 443 B5R0.1 CCCC(C)Br B400517 [0,1,0,0,0,0|1,0,0]=2 444 B5R0.1 CCCC(C)C I157548 [0,1,0,0,0,0|1,0,0]=2 445 B5R0.1 CCCC(C)C M105775 [0,1,0,0,0,0|1,0,0]=2 446 B5R0.1 CCCC(C)C M105776 [0,1,0,0,0,0|1,0,0]=2 447 B5R0.1 CCCC(C)C M105777 [0,1,0,0,0,0|1,0,0]=2 448 B5R0.1 CCCC(C)C M105778 [0,1,0,0,0,0|1,0,0]=2 449 B5R0.1 CCCC(C)C M137744 [0,1,0,0,0,0|1,0,0]=2 450 B5R0.1 CCCC(C)Cl C467357 [0,1,0,0,0,0|1,0,0]=2 451 B5R0.1 CCCC(C)N A151353 [0,1,0,0,0,0|1,0,0]=2 452 B5R0.1 CCCC(C)O P103442 [0,1,0,0,0,0|0,0,0]=1 453 B5R0.1 CCCC(C)O P103443 [0,1,0,0,0,0|0,0,0]=1 454 B5R0.1 CCCC(C)O R138651 [0,1,0,0,0,0|0,0,0]=1 455 B5R0.1 CCCC(C)O S138580 [0,1,0,0,0,0|0,0,0]=1 456 B5R0.1 CCCN(C)C N404354 [0,1,0,0,0,0|2,0,0]=3 457 B5R0.1 CCC[N+](=O)[O-] N109053 [0,1,0,0,0,0|1,0,1]=3 458 B5R0.1 CCNC(=O)C I135660 [0,1,0,0,0,0|1,0,2]=4 459 B5R0.1 CCNC(=O)N E105944 [0,1,0,0,0,0|1,0,2]=4 460 B5R0.1 CCNC(=S)N E346726 [0,1,0,0,0,0|1,1,1]=4 461 B5R0.1 CCNC(C)C N159098 [0,1,0,0,0,0|2,0,0]=3 462 B5R0.1 CCOC(=N)C E132730 [0,1,0,0,0,0|2,0,1]=4 463 B5R0.1 CCOC(=N)N O183619 [0,1,0,0,0,0|2,0,1]=4 464 B5R0.1 CCOC(=O)C E116131 [0,1,0,0,0,0|1,0,2]=4 465 B5R0.1 CCOC(=O)C E116132 [0,1,0,0,0,0|1,0,2]=4 466 B5R0.1 CCOC(=O)C E116133 [0,1,0,0,0,0|1,0,2]=4 467 B5R0.1 CCOC(=O)C E116134 [0,1,0,0,0,0|1,0,2]=4 468 B5R0.1 CCOC(=O)C E116135 [0,1,0,0,0,0|1,0,2]=4 469 B5R0.1 CCOC(=O)C E116136 [0,1,0,0,0,0|1,0,2]=4 470 B5R0.1 CCOC(=O)C E116137 [0,1,0,0,0,0|1,0,2]=4 471 B5R0.1 CCOC(=O)C E116138 [0,1,0,0,0,0|1,0,2]=4 472 B5R0.1 CCOC(=O)C E116139 [0,1,0,0,0,0|1,0,2]=4 473 B5R0.1 CCOC(=O)C E116141 [0,1,0,0,0,0|1,0,2]=4 474 B5R0.1 CCOC(=O)C E116142 [0,1,0,0,0,0|1,0,2]=4 475 B5R0.1 CCOC(=O)C E119698 [0,1,0,0,0,0|1,0,2]=4 476 B5R0.1 CCOC(=O)C E141165 [0,1,0,0,0,0|1,0,2]=4 477 B5R0.1 CCOC(=O)C E302266 [0,1,0,0,0,0|1,0,2]=4 478 B5R0.1 CCOC(=O)C E432070 [0,1,0,0,0,0|1,0,2]=4 479 B5R0.1 CCOC(=O)N C266075 [0,1,0,0,0,0|1,0,2]=4 480 B5R0.1 CCOC(=O)N E424443 [0,1,0,0,0,0|1,0,2]=4 481 B5R0.1 CCOC(=O)N U108629 [0,1,0,0,0,0|1,0,2]=4 482 B5R0.1 CCOC(=O)N U299635 [0,1,0,0,0,0|1,0,2]=4 483 B5R0.1 CCOC(=S)[S-] P110999 [0,1,0,0,0,0|1,1,1]=4 484 B5R0.1 CCOC(=S)[S-] P111000 [0,1,0,0,0,0|1,1,1]=4 485 B5R0.1 CCOC(=S)[S-] S161075 [0,1,0,0,0,0|1,1,1]=4 486 B5R0.1 CCOC(=S)[S-] S298709 [0,1,0,0,0,0|1,1,1]=4 487 B5R0.1 CCO[Si](=O)O E302202 [0,1,0,0,0,0|1,1,0]=3 488 B5R0.1 CCO[Si](C)C D191031 [0,1,0,0,0,0|2,1,0]=4 489 B5R0.1 CCSC(=N)N S161123 [0,1,0,0,0,0|2,0,1]=4 490 B5R0.1 CCSC(=O)C E107950 [0,1,0,0,0,0|1,0,2]=4 491 B5R0.1 CCSC(=S)C E338928 [0,1,0,0,0,0|1,1,1]=4 492 B5R0.1 CN(C)CC#C N159655 [0,1,0,0,0,0|2,0,1]=4 493 B5R0.1 CN(C)CC=C D117859 [0,1,0,0,0,0|2,0,1]=4 494 B5R0.1 CN(C)CC=O D587172 [0,1,0,0,0,0|1,0,2]=4 495 B5R0.1 CN(C)CCBr B183437 [0,1,0,0,0,0|2,0,0]=3 496 B5R0.1 CN(C)CCN D105347 [0,1,0,0,0,0|2,0,0]=3 497 B5R0.1 CN(C)CCN N404297 [0,1,0,0,0,0|2,0,0]=3 498 B5R0.1 CN(C)CCN N404298 [0,1,0,0,0,0|2,0,0]=3 499 B5R0.1 CN(C)CCO D109078 [0,1,0,0,0,0|1,0,0]=2 500 B5R0.1 CN(C)CCO D109079 [0,1,0,0,0,0|1,0,0]=2 501 B5R0.1 CN(C)CCO D109080 [0,1,0,0,0,0|1,0,0]=2 502 B5R0.1 CNCC(=O)N S115899 [0,1,0,0,0,0|1,0,2]=4 503 B5R0.1 CNCC(=O)O S102891 [0,1,0,0,0,0|1,0,1]=3 504 B5R0.1 CNCC(=O)O S113893 [0,1,0,0,0,0|1,0,1]=3 505 B5R0.1 CNCC(=O)O S420541 [0,1,0,0,0,0|1,0,1]=3 506 B5R0.1 CNCC(=O)[O-] S189142 [0,1,0,0,0,0|1,0,2]=4 507 B5R0.1 COCC(=O)Cl M124203 [0,1,0,0,0,0|1,0,2]=4 508 B5R0.1 COCC(=O)O M158057 [0,1,0,0,0,0|1,0,1]=3 509 B5R0.1 CSCC(=O)N M158330 [0,1,0,0,0,0|1,0,2]=4 510 B5R0.1 CSCC(=O)O M168970 [0,1,0,0,0,0|1,0,1]=3 511 B5R0.1 CSCS(=O)C M158415 [0,1,0,0,0,0|2,0,1]=4 512 B5R0.2 C#CCCC#N P468901 [0,1,0,0,0,0|1,0,2]=4 513 B5R0.2 C#CCCCCl C107731 [0,1,0,0,0,0|1,0,1]=3 514 B5R0.2 C#CCCCI I465322 [0,1,0,0,0,0|1,0,1]=3 515 B5R0.2 C#CCCCO P106295 [0,1,0,0,0,0|0,0,1]=2 516 B5R0.2 C(C#CCCl)Cl D113513 [0,1,0,0,0,0|1,0,2]=4 517 B5R0.2 C(C#CCCl)O C166985 [0,1,0,0,0,0|0,0,2]=3 518 B5R0.2 C(C#CCO)O B103672 [0,1,0,0,0,0|0,0,2]=3 519 B5R0.2 C(C#CCO)O B103673 [0,1,0,0,0,0|0,0,2]=3 520 B5R0.2 C(C#CCO)O B103675 [0,1,0,0,0,0|0,0,2]=3 521 B5R0.2 C(C=CCBr)Br T121197 [0,1,0,0,0,0|1,0,2]=4 522 B5R0.2 C(C=CCCl)Cl C141162 [0,1,0,0,0,0|1,0,2]=4 523 B5R0.2 C(C=CCCl)Cl D102461 [0,1,0,0,0,0|1,0,2]=4 524 B5R0.2 C(C=CCCl)Cl D102462 [0,1,0,0,0,0|1,0,2]=4 525 B5R0.2 C(C=CCCl)Cl D155430 [0,1,0,0,0,0|1,0,2]=4 526 B5R0.2 C(C=CCO)O B107560 [0,1,0,0,0,0|0,0,2]=3 527 B5R0.2 C(C=CCO)O B111227 [0,1,0,0,0,0|0,0,2]=3 528 B5R0.2 C(C=CCO)O T162684 [0,1,0,0,0,0|0,0,2]=3 529 B5R0.2 C(CBr)N=C=O B463144 [0,1,0,0,0,0|1,0,2]=4 530 B5R0.2 C(CC#N)C#N S108929 [0,1,0,0,0,0|1,0,2]=4 531 B5R0.2 C(CC#N)CBr B152157 [0,1,0,0,0,0|1,0,1]=3 532 B5R0.2 C(CC#N)CCl C102368 [0,1,0,0,0,0|1,0,1]=3 533 B5R0.2 C(CCBr)CBr D105749 [0,1,0,0,0,0|1,0,0]=2 534 B5R0.2 C(CCBr)CCl B109690 [0,1,0,0,0,0|1,0,0]=2 535 B5R0.2 C(CCBr)CF B122542 [0,1,0,0,0,0|1,0,0]=2 536 B5R0.2 C(CCBr)CN B163034 [0,1,0,0,0,0|1,0,0]=2 537 B5R0.2 C(CCBr)CO B136242 [0,1,0,0,0,0|0,0,0]=1 538 B5R0.2 C(CCCl)CCl D103409 [0,1,0,0,0,0|1,0,0]=2 539 B5R0.2 C(CCCl)CO C118833 [0,1,0,0,0,0|0,0,0]=1 540 B5R0.2 C(CCI)CCl C153542 [0,1,0,0,0,0|1,0,0]=2 541 B5R0.2 C(CCI)CI D155304 [0,1,0,0,0,0|1,0,0]=2 542 B5R0.2 C(CCN)CN B292804 [0,1,0,0,0,0|1,0,0]=2 543 B5R0.2 C(CCN)CN B304967 [0,1,0,0,0,0|1,0,0]=2 544 B5R0.2 C(CCN)CN B492953 [0,1,0,0,0,0|1,0,0]=2 545 B5R0.2 C(CCN)CN D106194 [0,1,0,0,0,0|1,0,0]=2 546 B5R0.2 C(CCN)CN D423441 [0,1,0,0,0,0|1,0,0]=2 547 B5R0.2 C(CCN)CN D472054 [0,1,0,0,0,0|1,0,0]=2 548 B5R0.2 C(CCO)CN A109739 [0,1,0,0,0,0|0,0,0]=1 549 B5R0.2 C(CCO)CO B110391 [0,1,0,0,0,0|0,0,0]=1 550 B5R0.2 C(CCO)CO B110394 [0,1,0,0,0,0|0,0,0]=1 551 B5R0.2 C(CCO)CO B110395 [0,1,0,0,0,0|0,0,0]=1 552 B5R0.2 C(CCS)CO M338696 [0,1,0,0,0,0|0,0,0]=1 553 B5R0.2 C(CCS)CS B152757 [0,1,0,0,0,0|0,1,0]=2 554 B5R0.2 C(CCS)CS B419814 [0,1,0,0,0,0|0,1,0]=2 555 B5R0.2 C(CCl)N=C=O C106493 [0,1,0,0,0,0|1,0,2]=4 556 B5R0.2 C(CCl)N=C=S C153806 [0,1,0,0,0,0|1,1,1]=4 557 B5R0.2 C(CCl)OCCl C140412 [0,1,0,0,0,0|2,0,0]=3 558 B5R0.2 C(CO)N=[N+]=[N-] A302966 [0,1,0,0,0,0|2,0,0]=3 559 B5R0.2 C=CCCC#N P160479 [0,1,0,0,0,0|1,0,2]=4 560 B5R0.2 C=CCCC=C C118545 [0,1,0,0,0,0|1,0,2]=4 561 B5R0.2 C=CCCC=C H106694 [0,1,0,0,0,0|1,0,2]=4 562 B5R0.2 C=CCCCBr B107734 [0,1,0,0,0,0|1,0,1]=3 563 B5R0.2 C=CCCCO P103073 [0,1,0,0,0,0|0,0,1]=2 564 B5R0.2 C=COCCO E135293 [0,1,0,0,0,0|0,0,2]=3 565 B5R0.2 CC#CCCO P160656 [0,1,0,0,0,0|0,0,1]=2 566 B5R0.2 CC=CCC#N P338284 [0,1,0,0,0,0|1,0,2]=4 567 B5R0.2 CC=CCC=C H157263 [0,1,0,0,0,0|1,0,2]=4 568 B5R0.2 CC=CCC=C T162375 [0,1,0,0,0,0|1,0,2]=4 569 B5R0.2 CCC#CCBr B136107 [0,1,0,0,0,0|1,0,1]=3 570 B5R0.2 CCC#CCC H157357 [0,1,0,0,0,0|1,0,1]=3 571 B5R0.2 CCC#CCO P160655 [0,1,0,0,0,0|0,0,1]=2 572 B5R0.2 CCC=CC#N P160478 [0,1,0,0,0,0|1,0,2]=4 573 B5R0.2 CCC=CC=O T161487 [0,1,0,0,0,0|0,0,3]=4 574 B5R0.2 CCC=CCC C153487 [0,1,0,0,0,0|1,0,1]=3 575 B5R0.2 CCC=CCC H157267 [0,1,0,0,0,0|1,0,1]=3 576 B5R0.2 CCC=CCC T162372 [0,1,0,0,0,0|1,0,1]=3 577 B5R0.2 CCC=CCO C153493 [0,1,0,0,0,0|0,0,1]=2 578 B5R0.2 CCC=CCO T299958 [0,1,0,0,0,0|0,0,1]=2 579 B5R0.2 CCCC#CC H157356 [0,1,0,0,0,0|1,0,1]=3 580 B5R0.2 CCCC=CC C153486 [0,1,0,0,0,0|1,0,1]=3 581 B5R0.2 CCCC=CC H157262 [0,1,0,0,0,0|1,0,1]=3 582 B5R0.2 CCCC=CC T162371 [0,1,0,0,0,0|1,0,1]=3 583 B5R0.2 CCCC=NO B152406 [0,1,0,0,0,0|0,0,1]=2 584 B5R0.2 CCCCC#C H106703 [0,1,0,0,0,0|1,0,0]=2 585 B5R0.2 CCCCC#N B100431 [0,1,0,0,0,0|1,0,0]=2 586 B5R0.2 CCCCC#N B100432 [0,1,0,0,0,0|1,0,0]=2 587 B5R0.2 CCCCC=C H109530 [0,1,0,0,0,0|1,0,0]=2 588 B5R0.2 CCCCC=C H109531 [0,1,0,0,0,0|1,0,0]=2 589 B5R0.2 CCCCC=C H109532 [0,1,0,0,0,0|1,0,0]=2 590 B5R0.2 CCCCC=C H109533 [0,1,0,0,0,0|1,0,0]=2 591 B5R0.2 CCCCC=O V103717 [0,1,0,0,0,0|0,0,1]=2 592 B5R0.2 CCCCCBr B104782 [0,1,0,0,0,0|1,0,0]=2 593 B5R0.2 CCCCCBr B305762 [0,1,0,0,0,0|1,0,0]=2 594 B5R0.2 CCCCCC H100107 [0,1,0,0,0,0|1,0,0]=2 595 B5R0.2 CCCCCC H109653 [0,1,0,0,0,0|1,0,0]=2 596 B5R0.2 CCCCCC H109654 [0,1,0,0,0,0|1,0,0]=2 597 B5R0.2 CCCCCC H109656 [0,1,0,0,0,0|1,0,0]=2 598 B5R0.2 CCCCCC H109659 [0,1,0,0,0,0|1,0,0]=2 599 B5R0.2 CCCCCC H119662 [0,1,0,0,0,0|1,0,0]=2 600 B5R0.2 CCCCCC H121283 [0,1,0,0,0,0|1,0,0]=2 601 B5R0.2 CCCCCC H140380 [0,1,0,0,0,0|1,0,0]=2 602 B5R0.2 CCCCCC H298923 [0,1,0,0,0,0|1,0,0]=2 603 B5R0.2 CCCCCC N431441 [0,1,0,0,0,0|1,0,0]=2 604 B5R0.2 CCCCCCl C109473 [0,1,0,0,0,0|1,0,0]=2 605 B5R0.2 CCCCCCl C109474 [0,1,0,0,0,0|1,0,0]=2 606 B5R0.2 CCCCCF F171115 [0,1,0,0,0,0|1,0,0]=2 607 B5R0.2 CCCCCI I104798 [0,1,0,0,0,0|1,0,0]=2 608 B5R0.2 CCCCCN A105343 [0,1,0,0,0,0|1,0,0]=2 609 B5R0.2 CCCCCN P292685 [0,1,0,0,0,0|1,0,0]=2 610 B5R0.2 CCCCCN P292697 [0,1,0,0,0,0|1,0,0]=2 611 B5R0.2 CCCCCN P292701 [0,1,0,0,0,0|1,0,0]=2 612 B5R0.2 CCCCCN P494144 [0,1,0,0,0,0|1,0,0]=2 613 B5R0.2 CCCCCO N350217 [0,1,0,0,0,0|0,0,0]=1 614 B5R0.2 CCCCCO P108125 [0,1,0,0,0,0|0,0,0]=1 615 B5R0.2 CCCCCO P108126 [0,1,0,0,0,0|0,0,0]=1 616 B5R0.2 CCCCCO P108127 [0,1,0,0,0,0|0,0,0]=1 617 B5R0.2 CCCCCO P108128 [0,1,0,0,0,0|0,0,0]=1 618 B5R0.2 CCCCCO P108129 [0,1,0,0,0,0|0,0,0]=1 619 B5R0.2 CCCCCO P108130 [0,1,0,0,0,0|0,0,0]=1 620 B5R0.2 CCCCCS A100028 [0,1,0,0,0,0|0,1,0]=2 621 B5R0.2 CCCCOC B152821 [0,1,0,0,0,0|0,0,0]=1 622 B5R0.2 CCCCON O184596 [0,1,0,0,0,0|0,0,0]=1 623 B5R0.2 CCCCSC B152508 [0,1,0,0,0,0|0,1,0]=2 624 B5R0.2 CCCC[Sn]Cl B302420 [0,1,0,0,0,0|1,0,0]=2 625 B5R0.2 CCCN=C=S P140610 [0,1,0,0,0,0|0,1,1]=3 626 B5R0.2 CCCNCC N159096 [0,1,0,0,0,0|1,0,0]=2 627 B5R0.2 CCCOC=C P137362 [0,1,0,0,0,0|1,0,1]=3 628 B5R0.2 CCCOC=O P160055 [0,1,0,0,0,0|0,0,2]=3 629 B5R0.2 CCCOCC E156162 [0,1,0,0,0,0|1,0,0]=2 630 B5R0.2 CCCSCC E134963 [0,1,0,0,0,0|1,0,0]=2 631 B5R0.2 CCCSSC M103114 [0,1,0,0,0,0|1,1,0]=3 632 B5R0.2 CCNCCN N138023 [0,1,0,0,0,0|1,0,0]=2 633 B5R0.2 CCNCCO E156112 [0,1,0,0,0,0|0,0,0]=1 634 B5R0.2 CCNCCO E301665 [0,1,0,0,0,0|0,0,0]=1 635 B5R0.2 CCNNCC D487275 [0,1,0,0,0,0|2,0,0]=3 636 B5R0.2 CCOC=CC E122346 [0,1,0,0,0,0|1,0,2]=4 637 B5R0.2 CCOCC=C A151091 [0,1,0,0,0,0|1,0,1]=3 638 B5R0.2 CCOCCBr B152837 [0,1,0,0,0,0|1,0,0]=2 639 B5R0.2 CCOCCCl C153264 [0,1,0,0,0,0|1,0,0]=2 640 B5R0.2 CCOCCN E156296 [0,1,0,0,0,0|1,0,0]=2 641 B5R0.2 CCOCCO E110821 [0,1,0,0,0,0|0,0,0]=1 642 B5R0.2 CCOCCO E110822 [0,1,0,0,0,0|0,0,0]=1 643 B5R0.2 CCOCCO E118463 [0,1,0,0,0,0|0,0,0]=1 644 B5R0.2 CCSCCCl C102885 [0,1,0,0,0,0|1,0,0]=2 645 B5R0.2 CCSCCN E170901 [0,1,0,0,0,0|1,0,0]=2 646 B5R0.2 CCSCCN E300178 [0,1,0,0,0,0|1,0,0]=2 647 B5R0.2 CCSCCO E156428 [0,1,0,0,0,0|0,0,0]=1 648 B5R0.2 CCSSCC D140646 [0,1,0,0,0,0|2,0,0]=3 649 B5R0.2 CC[NH2+]SC#N E493816 [0,1,0,0,0,0|2,0,1]=4 650 B5R0.2 CC[Se][Se]CC D155798 [0,1,0,0,0,0|2,0,0]=3 651 B5R0.2 CNCCC#N M104316 [0,1,0,0,0,0|1,0,1]=3 652 B5R0.2 CNCCCN N104493 [0,1,0,0,0,0|1,0,0]=2 653 B5R0.2 CNCCCO M133702 [0,1,0,0,0,0|0,0,0]=1 654 B5R0.2 CNCCNC D106275 [0,1,0,0,0,0|2,0,0]=3 655 B5R0.2 CNCCOC N159090 [0,1,0,0,0,0|1,0,0]=2 656 B5R0.2 COCCC#N M158577 [0,1,0,0,0,0|1,0,1]=3 657 B5R0.2 COCCCBr B136284 [0,1,0,0,0,0|1,0,0]=2 658 B5R0.2 COCCCCl C108061 [0,1,0,0,0,0|1,0,0]=2 659 B5R0.2 COCCCN M134485 [0,1,0,0,0,0|1,0,0]=2 660 B5R0.2 COCCCN M587821 [0,1,0,0,0,0|1,0,0]=2 661 B5R0.2 COCCCO M107732 [0,1,0,0,0,0|0,0,0]=1 662 B5R0.2 COCCOC D299631 [0,1,0,0,0,0|1,0,0]=2 663 B5R0.2 COCCOC E104387 [0,1,0,0,0,0|1,0,0]=2 664 B5R0.2 COCCOC E104388 [0,1,0,0,0,0|1,0,0]=2 665 B5R0.2 COCCOC E104391 [0,1,0,0,0,0|1,0,0]=2 666 B5R0.2 COCCOC E119676 [0,1,0,0,0,0|1,0,0]=2 667 B5R0.2 COCCOC I282413 [0,1,0,0,0,0|1,0,0]=2 668 B5R0.2 COCCOC P107530 [0,1,0,0,0,0|1,0,0]=2 669 B5R0.2 COCCOC P432396 [0,1,0,0,0,0|1,0,0]=2 670 B5R0.2 COCCOC P432397 [0,1,0,0,0,0|1,0,0]=2 671 B5R0.2 COCCOC P432398 [0,1,0,0,0,0|1,0,0]=2 672 B5R0.2 CSCCC=O M109548 [0,1,0,0,0,0|0,0,2]=3 673 B5R0.2 CSCCCN M158420 [0,1,0,0,0,0|1,0,0]=2 674 B5R0.2 CSCCCO M102967 [0,1,0,0,0,0|0,0,0]=1 675 B5R0.2 CSSCC=C M103119 [0,1,0,0,0,0|2,0,1]=4 676 B5R0.2 ClCCOC=C V141139 [0,1,0,0,0,0|1,0,2]=4 677 B5R0.2 OCCCCO P487355 [0,1,0,0,0,0|0,0,0]=1 678 B5R0.3 C(C(=O)CBr)Br D139292 [0,1,0,0,0,0|2,0,1]=4 679 B5R0.3 C(C(=O)NN)O H192943 [0,1,0,0,0,0|2,0,1]=4 680 B5R0.3 C(C(C=O)O)O D134978 [0,1,0,0,0,0|1,0,1]=3 681 B5R0.3 C(C(C=O)O)O D589509 [0,1,0,0,0,0|1,0,1]=3 682 B5R0.3 C(C(C=O)O)O S138916 [0,1,0,0,0,0|1,0,1]=3 683 B5R0.3 C(C(CBr)Br)Br T109520 [0,1,0,0,0,0|2,0,0]=3 684 B5R0.3 C(C(CBr)Br)Cl D469912 [0,1,0,0,0,0|2,0,0]=3 685 B5R0.3 C(C(CBr)Br)N D487237 [0,1,0,0,0,0|2,0,0]=3 686 B5R0.3 C(C(CBr)Br)O D154495 [0,1,0,0,0,0|1,0,0]=2 687 B5R0.3 C(C(CBr)O)Br D100260 [0,1,0,0,0,0|2,0,0]=3 688 B5R0.3 C(C(CBr)O)O B133715 [0,1,0,0,0,0|1,0,0]=2 689 B5R0.3 C(C(CCl)Cl)Cl T128156 [0,1,0,0,0,0|2,0,0]=3 690 B5R0.3 C(C(CCl)Cl)O D154496 [0,1,0,0,0,0|1,0,0]=2 691 B5R0.3 C(C(CCl)O)Cl D110862 [0,1,0,0,0,0|2,0,0]=3 692 B5R0.3 C(C(CCl)O)Cl D110863 [0,1,0,0,0,0|2,0,0]=3 693 B5R0.3 C(C(CCl)O)Cl D357372 [0,1,0,0,0,0|2,0,0]=3 694 B5R0.3 C(C(CCl)O)N S192900 [0,1,0,0,0,0|2,0,0]=3 695 B5R0.3 C(C(CCl)O)O C106058 [0,1,0,0,0,0|1,0,0]=2 696 B5R0.3 C(C(CCl)O)O C106059 [0,1,0,0,0,0|1,0,0]=2 697 B5R0.3 C(C(CCl)O)O C356973 [0,1,0,0,0,0|1,0,0]=2 698 B5R0.3 C(C(CF)O)F D170430 [0,1,0,0,0,0|2,0,0]=3 699 B5R0.3 C(C(CN)O)N D121823 [0,1,0,0,0,0|2,0,0]=3 700 B5R0.3 C(C(CO)N)O A100952 [0,1,0,0,0,0|1,0,0]=2 701 B5R0.3 C(C(CO)N)O A101351 [0,1,0,0,0,0|1,0,0]=2 702 B5R0.3 C(C(CO)O)N A101946 [0,1,0,0,0,0|1,0,0]=2 703 B5R0.3 C(C(CO)O)N A103187 [0,1,0,0,0,0|1,0,0]=2 704 B5R0.3 C(C(CO)O)N A107504 [0,1,0,0,0,0|1,0,0]=2 705 B5R0.3 C(C(CO)O)O G116202 [0,1,0,0,0,0|1,0,0]=2 706 B5R0.3 C(C(CO)O)O G116203 [0,1,0,0,0,0|1,0,0]=2 707 B5R0.3 C(C(CO)O)O G116205 [0,1,0,0,0,0|1,0,0]=2 708 B5R0.3 C(C(CO)O)O G116206 [0,1,0,0,0,0|1,0,0]=2 709 B5R0.3 C(C(CO)O)O G116208 [0,1,0,0,0,0|1,0,0]=2 710 B5R0.3 C(C(CO)O)O G116209 [0,1,0,0,0,0|1,0,0]=2 711 B5R0.3 C(C(CO)O)O G116213 [0,1,0,0,0,0|1,0,0]=2 712 B5R0.3 C(C(CO)O)O G116214 [0,1,0,0,0,0|1,0,0]=2 713 B5R0.3 C(C(CO)O)O G116215 [0,1,0,0,0,0|1,0,0]=2 714 B5R0.3 C(C(CO)O)O G117555 [0,1,0,0,0,0|1,0,0]=2 715 B5R0.3 C(C(CO)O)O G117556 [0,1,0,0,0,0|1,0,0]=2 716 B5R0.3 C(C(CO)O)O G294877 [0,1,0,0,0,0|1,0,0]=2 717 B5R0.3 C(C(CO)O)O G334451 [0,1,0,0,0,0|1,0,0]=2 718 B5R0.3 C(C(CO)O)O G424796 [0,1,0,0,0,0|1,0,0]=2 719 B5R0.3 C(C(CO)O)O G472031 [0,1,0,0,0,0|1,0,0]=2 720 B5R0.3 C(C(CO)O)O G474157 [0,1,0,0,0,0|1,0,0]=2 721 B5R0.3 C(C(CS)O)O T109440 [0,1,0,0,0,0|1,0,0]=2 722 B5R0.3 C(C(CS)O)O T109441 [0,1,0,0,0,0|1,0,0]=2 723 B5R0.3 C(C(CS)O)O T109442 [0,1,0,0,0,0|1,0,0]=2 724 B5R0.3 C(C(CS)O)O T141418 [0,1,0,0,0,0|1,0,0]=2 725 B5R0.3 C(C(CS)S)O D106477 [0,1,0,0,0,0|1,0,0]=2 726 B5R0.3 C(C(CS)S)O D424962 [0,1,0,0,0,0|1,0,0]=2 727 B5R0.3 C=C(CCl)CCl C124660 [0,1,0,0,0,0|2,0,1]=4 728 B5R0.3 C=C(CO)CO M158762 [0,1,0,0,0,0|1,0,1]=3 729 B5R0.3 C=CC(CCl)Cl D155424 [0,1,0,0,0,0|1,0,2]=4 730 B5R0.3 C=CC(CO)O B589259 [0,1,0,0,0,0|0,0,2]=3 731 B5R0.3 CC(CN)CO A483603 [0,1,0,0,0,0|1,0,0]=2 732 B5R0.3 CC(CO)CBr R469876 [0,1,0,0,0,0|1,0,0]=2 733 B5R0.3 CC(CO)CBr S469920 [0,1,0,0,0,0|1,0,0]=2 734 B5R0.3 CC(CO)CO M141411 [0,1,0,0,0,0|1,0,0]=2 735 B5R0.3 CC(CO)OC R194193 [0,1,0,0,0,0|1,0,0]=2 736 B5R0.3 CC(OC)OC D155919 [0,1,0,0,0,0|3,0,0]=4 737 B5R0.3 CCC(=C)C=O E189230 [0,1,0,0,0,0|0,0,3]=4 738 B5R0.3 CCC(=C)CC E156179 [0,1,0,0,0,0|1,0,1]=3 739 B5R0.3 CCC(=CC)C T162381 [0,1,0,0,0,0|1,0,2]=4 740 B5R0.3 CCC(=NO)C B105233 [0,1,0,0,0,0|1,0,1]=3 741 B5R0.3 CCC(=NO)N P138620 [0,1,0,0,0,0|1,0,1]=3 742 B5R0.3 CCC(=O)CC P103791 [0,1,0,0,0,0|1,0,1]=3 743 B5R0.3 CCC(=O)CC P103792 [0,1,0,0,0,0|1,0,1]=3 744 B5R0.3 CCC(=O)CC P103794 [0,1,0,0,0,0|1,0,1]=3 745 B5R0.3 CCC(=O)CO H193640 [0,1,0,0,0,0|0,0,1]=2 746 B5R0.3 CCC(=O)NC N159394 [0,1,0,0,0,0|2,0,1]=4 747 B5R0.3 CCC(=O)NN P342062 [0,1,0,0,0,0|2,0,1]=4 748 B5R0.3 CCC(=O)OC M110420 [0,1,0,0,0,0|2,0,1]=4 749 B5R0.3 CCC(=O)OC M110421 [0,1,0,0,0,0|2,0,1]=4 750 B5R0.3 CCC(=O)OC M110422 [0,1,0,0,0,0|2,0,1]=4 751 B5R0.3 CCC(=O)OC M491732 [0,1,0,0,0,0|2,0,1]=4 752 B5R0.3 CCC(=O)SC S404755 [0,1,0,0,0,0|2,0,1]=4 753 B5R0.3 CCC(C#C)O P138822 [0,1,0,0,0,0|1,0,1]=3 754 B5R0.3 CCC(C)C#N M158304 [0,1,0,0,0,0|1,0,1]=3 755 B5R0.3 CCC(C)C=C M158226 [0,1,0,0,0,0|1,0,1]=3 756 B5R0.3 CCC(C)C=O M158687 [0,1,0,0,0,0|0,0,2]=3 757 B5R0.3 CCC(C)CBr B120302 [0,1,0,0,0,0|1,0,0]=2 758 B5R0.3 CCC(C)CBr B188983 [0,1,0,0,0,0|1,0,0]=2 759 B5R0.3 CCC(C)CC M109051 [0,1,0,0,0,0|1,0,0]=2 760 B5R0.3 CCC(C)CC M109052 [0,1,0,0,0,0|1,0,0]=2 761 B5R0.3 CCC(C)CCl C153548 [0,1,0,0,0,0|1,0,0]=2 762 B5R0.3 CCC(C)CCl S160982 [0,1,0,0,0,0|1,0,0]=2 763 B5R0.3 CCC(C)CI I157547 [0,1,0,0,0,0|1,0,0]=2 764 B5R0.3 CCC(C)CN S467250 [0,1,0,0,0,0|1,0,0]=2 765 B5R0.3 CCC(C)CO M106456 [0,1,0,0,0,0|0,0,0]=1 766 B5R0.3 CCC(C)CO M106654 [0,1,0,0,0,0|0,0,0]=1 767 B5R0.3 CCC(C)CS M103069 [0,1,0,0,0,0|0,1,0]=2 768 B5R0.3 CCC(C)OC S161061 [0,1,0,0,0,0|2,0,0]=3 769 B5R0.3 CCC(C=C)O P160532 [0,1,0,0,0,0|1,0,1]=3 770 B5R0.3 CCC(CBr)Br D102336 [0,1,0,0,0,0|1,0,0]=2 771 B5R0.3 CCC(CBr)O B152045 [0,1,0,0,0,0|1,0,0]=2 772 B5R0.3 CCC(CC)Br B106965 [0,1,0,0,0,0|1,0,0]=2 773 B5R0.3 CCC(CC)N A133949 [0,1,0,0,0,0|1,0,0]=2 774 B5R0.3 CCC(CC)O P109359 [0,1,0,0,0,0|1,0,0]=2 775 B5R0.3 CCC(CCl)Cl D155318 [0,1,0,0,0,0|1,0,0]=2 776 B5R0.3 CCC(CN)O A151121 [0,1,0,0,0,0|1,0,0]=2 777 B5R0.3 CCC(CO)N A106025 [0,1,0,0,0,0|0,0,0]=1 778 B5R0.3 CCC(CO)N A107264 [0,1,0,0,0,0|0,0,0]=1 779 B5R0.3 CCC(CO)N A107265 [0,1,0,0,0,0|0,0,0]=1 780 B5R0.3 CCC(CO)O B153217 [0,1,0,0,0,0|0,0,0]=1 781 B5R0.3 CCC(CO)O B300651 [0,1,0,0,0,0|0,0,0]=1 782 B5R0.3 CCC(CO)O R160952 [0,1,0,0,0,0|0,0,0]=1 783 B5R0.3 CCC(CO)O S161003 [0,1,0,0,0,0|0,0,0]=1 784 B5R0.3 CCC(CS)S B152748 [0,1,0,0,0,0|0,1,0]=2 785 B5R0.3 CCN(C)CC N159249 [0,1,0,0,0,0|2,0,0]=3 786 B5R0.3 CCN(C)N=O N114391 [0,1,0,0,0,0|2,0,1]=4 787 B5R0.3 CCN(CC)O D109383 [0,1,0,0,0,0|2,0,0]=3 788 B5R0.3 CCN(CC)O N432573 [0,1,0,0,0,0|2,0,0]=3 789 B5R0.3 CCS(=O)CC E589941 [0,1,0,0,0,0|2,0,0]=3 790 B5R0.3 CC[P+](=O)CC D332476 [0,1,0,0,0,0|2,0,0]=3 791 B5R0.3 CC[Si](C)CC D337339 [0,1,0,0,0,0|1,1,0]=3 792 B5R0.3 CNC(=O)CBr B588815 [0,1,0,0,0,0|2,0,1]=4 793 B5R0.3 CNC(=O)CCl C124467 [0,1,0,0,0,0|2,0,1]=4 794 B5R0.3 CNC(=O)CN A182951 [0,1,0,0,0,0|2,0,1]=4 795 B5R0.3 CNC(=O)CS M124593 [0,1,0,0,0,0|1,1,1]=4 796 B5R0.3 COC(=O)CBr M106900 [0,1,0,0,0,0|2,0,1]=4 797 B5R0.3 COC(=O)CCl M104120 [0,1,0,0,0,0|2,0,1]=4 798 B5R0.3 COC(=O)CCl M104121 [0,1,0,0,0,0|2,0,1]=4 799 B5R0.3 COC(=O)CCl M305846 [0,1,0,0,0,0|2,0,1]=4 800 B5R0.3 COC(=O)CN G105475 [0,1,0,0,0,0|2,0,1]=4 801 B5R0.3 COC(=O)CO M101718 [0,1,0,0,0,0|1,0,1]=3 802 B5R0.3 COC(=O)CS M103140 [0,1,0,0,0,0|1,1,1]=4 803 B5R1.1 C1C=CCN1 D139123 [0,0,0,1,0,0|1,0,2]=4 804 B5R1.1 C1C=CCN1 p103550 [0,0,0,1,0,0|1,0,2]=4 805 B5R1.1 C1C=CCO1 D101471 [0,0,0,1,0,0|0,0,2]=3 806 B5R1.1 C1CC=CC1 C104477 [0,0,0,1,0,0|1,0,1]=3 807 B5R1.1 C1CC=CC1 C104479 [0,0,0,1,0,0|1,0,1]=3 808 B5R1.1 C1CC=CC1 C104480 [0,0,0,1,0,0|1,0,1]=3 809 B5R1.1 C1CCCC1 C103394 [0,0,0,1,0,0|1,0,0]=2 810 B5R1.1 C1CCCC1 C103397 [0,0,0,1,0,0|1,0,0]=2 811 B5R1.1 C1CCCC1 C103398 [0,0,0,1,0,0|1,0,0]=2 812 B5R1.1 C1CCCC1 C103399 [0,0,0,1,0,0|1,0,0]=2 813 B5R1.1 C1CCCC1 C103400 [0,0,0,1,0,0|1,0,0]=2 814 B5R1.1 C1CCCC1 C139938 [0,0,0,1,0,0|1,0,0]=2 815 B5R1.1 C1CCNC1 P108562 [0,0,0,1,0,0|1,0,0]=2 816 B5R1.1 C1CCNC1 P160143 [0,0,0,1,0,0|1,0,0]=2 817 B5R1.1 C1CCNC1 P160705 [0,0,0,1,0,0|1,0,0]=2 818 B5R1.1 C1CCNC1 P301661 [0,0,0,1,0,0|1,0,0]=2 819 B5R1.1 C1CCOC1 B110263 [0,0,0,1,0,0|0,0,0]=1 820 B5R1.1 C1CCOC1 B300059 [0,0,0,1,0,0|0,0,0]=1 821 B5R1.1 C1CCOC1 C333316 [0,0,0,1,0,0|0,0,0]=1 822 B5R1.1 C1CCOC1 T102271 [0,0,0,1,0,0|0,0,0]=1 823 B5R1.1 C1CCOC1 T102272 [0,0,0,1,0,0|0,0,0]=1 824 B5R1.1 C1CCOC1 T103259 [0,0,0,1,0,0|0,0,0]=1 825 B5R1.1 C1CCOC1 T103260 [0,0,0,1,0,0|0,0,0]=1 826 B5R1.1 C1CCOC1 T103262 [0,0,0,1,0,0|0,0,0]=1 827 B5R1.1 C1CCOC1 T103263 [0,0,0,1,0,0|0,0,0]=1 828 B5R1.1 C1CCOC1 T103264 [0,0,0,1,0,0|0,0,0]=1 829 B5R1.1 C1CCOC1 T103266 [0,0,0,1,0,0|0,0,0]=1 830 B5R1.1 C1CCOC1 T120775 [0,0,0,1,0,0|0,0,0]=1 831 B5R1.1 C1CCOC1 T282609 [0,0,0,1,0,0|0,0,0]=1 832 B5R1.1 C1CCOC1 T303408 [0,0,0,1,0,0|0,0,0]=1 833 B5R1.1 C1CCOC1 T407518 [0,0,0,1,0,0|0,0,0]=1 834 B5R1.1 C1CCOC1 T431414 [0,0,0,1,0,0|0,0,0]=1 835 B5R1.1 C1CCSC1 T107485 [0,0,0,1,0,0|0,1,0]=2 836 B5R1.1 C1CC[CH-]C1 C466404 [0,0,0,1,0,0|1,0,0]=2 837 B5R1.1 C1CNOC1 I157665 [0,0,0,1,0,0|1,0,0]=2 838 B5R1.1 C1COC=C1 D106435 [0,0,0,1,0,0|0,0,2]=3 839 B5R1.1 C1COCO1 D105894 [0,0,0,1,0,0|1,0,0]=2 840 B5R1.1 C1COCO1 D105895 [0,0,0,1,0,0|1,0,0]=2 841 B5R1.1 C1COCO1 D119723 [0,0,0,1,0,0|1,0,0]=2 842 B5R1.1 C1CSCN1 T101324 [0,0,0,1,0,0|1,1,0]=3 843 B5R1.2 C1C(=O)CN1 A174998 [0,0,0,1,0,0|1,0,2]=4 844 B5R1.2 C1C(=O)CO1 O129097 [0,0,0,1,0,0|1,0,2]=4 845 B5R1.2 C1C(CN1)F F134511 [0,0,0,1,0,0|2,0,0]=3 846 B5R1.2 C1C(CN1)N A171689 [0,0,0,1,0,0|2,0,0]=3 847 B5R1.2 C1C(CN1)O H102085 [0,0,0,1,0,0|1,0,0]=2 848 B5R1.2 C1C(CO1)Br B170097 [0,0,0,1,0,0|2,0,0]=3 849 B5R1.2 C1C(CO1)I I134383 [0,0,0,1,0,0|2,0,0]=3 850 B5R1.2 C1C(CO1)N O135359 [0,0,0,1,0,0|2,0,0]=3 851 B5R1.2 C1C(CO1)N O589249 [0,0,0,1,0,0|2,0,0]=3 852 B5R1.2 C1C(CO1)O H123582 [0,0,0,1,0,0|1,0,0]=2 853 B5R1.2 C1C(CS1)N T173228 [0,0,0,1,0,0|2,0,0]=3 854 B5R1.2 C1CC(=O)C1 C107836 [0,0,0,1,0,0|0,0,2]=3 855 B5R1.2 C1CC(C1)Br C107837 [0,0,0,1,0,0|1,0,0]=2 856 B5R1.2 C1CC(C1)Cl C115990 [0,0,0,1,0,0|1,0,0]=2 857 B5R1.2 C1CC(C1)N C113777 [0,0,0,1,0,0|1,0,0]=2 858 B5R1.2 C1CC(C1)N P117243 [0,0,0,1,0,0|1,0,0]=2 859 B5R1.2 C1CC(C1)O C101572 [0,0,0,1,0,0|0,0,0]=1 860 B5R1.2 C1CNC1=O A139449 [0,0,0,1,0,0|1,0,2]=4 861 B5R1.2 C1COC1=O P109567 [0,0,0,1,0,0|1,0,1]=3 862 B5R1.2 C=C1CCC1 M332850 [0,0,0,1,0,0|1,0,1]=3 863 B5R1.3 C#CC1CC1 C108075 [0,0,0,1,0,0|1,0,1]=3 864 B5R1.3 C1C(O1)CCl E100521 [0,0,0,1,0,0|1,0,0]=2 865 B5R1.3 C1C(O1)CCl E108181 [0,0,0,1,0,0|1,0,0]=2 866 B5R1.3 C1C(O1)CCl E108182 [0,0,0,1,0,0|1,0,0]=2 867 B5R1.3 C1C(O1)CCl E108184 [0,0,0,1,0,0|1,0,0]=2 868 B5R1.3 C1C(O1)CCl E108185 [0,0,0,1,0,0|1,0,0]=2 869 B5R1.3 C1C(O1)CCl E109298 [0,0,0,1,0,0|1,0,0]=2 870 B5R1.3 C1C(O1)CCl E137334 [0,0,0,1,0,0|1,0,0]=2 871 B5R1.3 C1C(O1)CCl E325686 [0,0,0,1,0,0|1,0,0]=2 872 B5R1.3 C1C(O1)CCl E401255 [0,0,0,1,0,0|1,0,0]=2 873 B5R1.3 C1C(O1)CF E352987 [0,0,0,1,0,0|1,0,0]=2 874 B5R1.3 C1C(O1)CO G106989 [0,0,0,1,0,0|1,0,0]=2 875 B5R1.3 C1C(O1)CO R119621 [0,0,0,1,0,0|1,0,0]=2 876 B5R1.3 C1C(O1)CO S119620 [0,0,0,1,0,0|1,0,0]=2 877 B5R1.3 C1CC1C#N C153826 [0,0,0,1,0,0|1,0,1]=3 878 B5R1.3 C1CC1C=O C106978 [0,0,0,1,0,0|0,0,2]=3 879 B5R1.3 C1CC1CBr B109676 [0,0,0,1,0,0|1,0,0]=2 880 B5R1.3 C1CC1CCl C104287 [0,0,0,1,0,0|1,0,0]=2 881 B5R1.3 C1CC1CI I464078 [0,0,0,1,0,0|1,0,0]=2 882 B5R1.3 C1CC1CN C153637 [0,0,0,1,0,0|1,0,0]=2 883 B5R1.3 C1CC1CN C339737 [0,0,0,1,0,0|1,0,0]=2 884 B5R1.3 C1CC1CO C108023 [0,0,0,1,0,0|0,0,0]=1 885 B5R1.3 C1CC1CO C108024 [0,0,0,1,0,0|0,0,0]=1 886 B5R1.3 C=CC1CO1 V100986 [0,0,0,1,0,0|0,0,2]=3 887 B5R1.3 CCC1CO1 B123067 [0,0,0,1,0,0|0,0,0]=1 888 B5R1.3 CCC1CO1 B152236 [0,0,0,1,0,0|0,0,0]=1 889 B5R1.3 CCC1CO1 E123068 [0,0,0,1,0,0|0,0,0]=1 890 B5R1.3 CNC1CC1 N177134 [0,0,0,1,0,0|2,0,0]=3 891 B5R1.4 CC1C(O1)C C349177 [0,0,0,1,0,0|2,0,0]=3 892 B2R0.1 B(=O)O M164490 [2,0,0,0,0,0|2,0,0]=4 893 B2R0.1 C(#N)O M304224 [2,0,0,0,0,0|1,0,1]=4 894 B2R0.1 C(=O)O D121276 [2,0,0,0,0,0|1,0,1]=4 895 B2R0.1 C(=O)O F100377 [2,0,0,0,0,0|1,0,1]=4 896 B2R0.1 C(=O)O F100378 [2,0,0,0,0,0|1,0,1]=4 897 B2R0.1 C(=O)O F112031 [2,0,0,0,0,0|1,0,1]=4 898 B2R0.1 C(=O)O F112032 [2,0,0,0,0,0|1,0,1]=4 899 B2R0.1 C(=O)O F112034 [2,0,0,0,0,0|1,0,1]=4 900 B2R0.1 C(=O)O F112035 [2,0,0,0,0,0|1,0,1]=4 901 B2R0.1 C(=O)O F112036 [2,0,0,0,0,0|1,0,1]=4 902 B2R0.1 C(=O)O F112038 [2,0,0,0,0,0|1,0,1]=4 903 B2R0.1 C(=O)O F130104 [2,0,0,0,0,0|1,0,1]=4 904 B2R0.1 C(=O)O F291751 [2,0,0,0,0,0|1,0,1]=4 905 B2R0.1 C(=O)O F291755 [2,0,0,0,0,0|1,0,1]=4 906 B2R0.1 C(=O)O F298780 [2,0,0,0,0,0|1,0,1]=4 907 B2R0.1 C(=O)O F301789 [2,0,0,0,0,0|1,0,1]=4 908 B2R0.1 C(=O)O F301790 [2,0,0,0,0,0|1,0,1]=4 909 B2R0.1 C(=O)O F301791 [2,0,0,0,0,0|1,0,1]=4 910 B2R0.1 C(=O)O F301957 [2,0,0,0,0,0|1,0,1]=4 911 B2R0.1 C(Br)Br D104768 [2,0,0,0,0,0|2,0,0]=4 912 B2R0.1 C(Br)Br D104769 [2,0,0,0,0,0|2,0,0]=4 913 B2R0.1 C(Br)I B339134 [2,0,0,0,0,0|2,0,0]=4 914 B2R0.1 C(Cl)Br B105792 [2,0,0,0,0,0|2,0,0]=4 915 B2R0.1 C(Cl)Br B105793 [2,0,0,0,0,0|2,0,0]=4 916 B2R0.1 C(Cl)Br B128122 [2,0,0,0,0,0|2,0,0]=4 917 B2R0.1 C(Cl)I C106574 [2,0,0,0,0,0|2,0,0]=4 918 B2R0.1 C(I)I D104755 [2,0,0,0,0,0|2,0,0]=4 919 B2R0.1 C(I)I D104756 [2,0,0,0,0,0|2,0,0]=4 920 B2R0.1 C(N)N M171041 [2,0,0,0,0,0|2,0,0]=4 921 B2R0.1 C(N)N M491910 [2,0,0,0,0,0|2,0,0]=4 922 B2R0.1 C=CO M434365 [2,0,0,0,0,0|0,0,2]=4 923 B2R0.1 C=CO P105124 [2,0,0,0,0,0|0,0,2]=4 924 B2R0.1 C=CO P105125 [2,0,0,0,0,0|0,0,2]=4 925 B2R0.1 C=CO P105126 [2,0,0,0,0,0|0,0,2]=4 926 B2R0.1 C=CO P105127 [2,0,0,0,0,0|0,0,2]=4 927 B2R0.1 C=CO P105128 [2,0,0,0,0,0|0,0,2]=4 928 B2R0.1 C=CO P119357 [2,0,0,0,0,0|0,0,2]=4 929 B2R0.1 C=CO P119359 [2,0,0,0,0,0|0,0,2]=4 930 B2R0.1 C=CO P119361 [2,0,0,0,0,0|0,0,2]=4 931 B2R0.1 C=CO P119362 [2,0,0,0,0,0|0,0,2]=4 932 B2R0.1 C=CO P119363 [2,0,0,0,0,0|0,0,2]=4 933 B2R0.1 C=CO P119364 [2,0,0,0,0,0|0,0,2]=4 934 B2R0.1 C=CO P139533 [2,0,0,0,0,0|0,0,2]=4 935 B2R0.1 C=CO P139534 [2,0,0,0,0,0|0,0,2]=4 936 B2R0.1 C=CO P139535 [2,0,0,0,0,0|0,0,2]=4 937 B2R0.1 C=CO P139537 [2,0,0,0,0,0|0,0,2]=4 938 B2R0.1 C=CO P139539 [2,0,0,0,0,0|0,0,2]=4 939 B2R0.1 C=CO P139540 [2,0,0,0,0,0|0,0,2]=4 940 B2R0.1 C=CO P139541 [2,0,0,0,0,0|0,0,2]=4 941 B2R0.1 C=CO P139542 [2,0,0,0,0,0|0,0,2]=4 942 B2R0.1 C=CO P139543 [2,0,0,0,0,0|0,0,2]=4 943 B2R0.1 C=CO P139544 [2,0,0,0,0,0|0,0,2]=4 944 B2R0.1 C=CO P139545 [2,0,0,0,0,0|0,0,2]=4 945 B2R0.1 C=CO P139546 [2,0,0,0,0,0|0,0,2]=4 946 B2R0.1 C=CO P139548 [2,0,0,0,0,0|0,0,2]=4 947 B2R0.1 C=CO P139549 [2,0,0,0,0,0|0,0,2]=4 948 B2R0.1 C=CO P139550 [2,0,0,0,0,0|0,0,2]=4 949 B2R0.1 C=CO P140398 [2,0,0,0,0,0|0,0,2]=4 950 B2R0.1 C=CO P434363 [2,0,0,0,0,0|0,0,2]=4 951 B2R0.1 C=CO P434367 [2,0,0,0,0,0|0,0,2]=4 952 B2R0.1 C=CO P434368 [2,0,0,0,0,0|0,0,2]=4 953 B2R0.1 C=CO P434369 [2,0,0,0,0,0|0,0,2]=4 954 B2R0.1 C=CO P434370 [2,0,0,0,0,0|0,0,2]=4 955 B2R0.1 C=CO P434371 [2,0,0,0,0,0|0,0,2]=4 956 B2R0.1 C=CO P434372 [2,0,0,0,0,0|0,0,2]=4 957 B2R0.1 C=CO P434374 [2,0,0,0,0,0|0,0,2]=4 958 B2R0.1 C=CO P434375 [2,0,0,0,0,0|0,0,2]=4 959 B2R0.1 C=CO P434376 [2,0,0,0,0,0|0,0,2]=4 960 B2R0.1 C=CO P434377 [2,0,0,0,0,0|0,0,2]=4 961 B2R0.1 C=CO P485585 [2,0,0,0,0,0|0,0,2]=4 962 B2R0.1 C=NO F304557 [2,0,0,0,0,0|1,0,1]=4 963 B2R0.1 CC#N A100968 [2,0,0,0,0,0|1,0,1]=4 964 B2R0.1 CC#N A100969 [2,0,0,0,0,0|1,0,1]=4 965 B2R0.1 CC#N A100970 [2,0,0,0,0,0|1,0,1]=4 966 B2R0.1 CC#N A104439 [2,0,0,0,0,0|1,0,1]=4 967 B2R0.1 CC#N A104440 [2,0,0,0,0,0|1,0,1]=4 968 B2R0.1 CC#N A104441 [2,0,0,0,0,0|1,0,1]=4 969 B2R0.1 CC#N A104442 [2,0,0,0,0,0|1,0,1]=4 970 B2R0.1 CC#N A104443 [2,0,0,0,0,0|1,0,1]=4 971 B2R0.1 CC#N A104444 [2,0,0,0,0,0|1,0,1]=4 972 B2R0.1 CC#N A104445 [2,0,0,0,0,0|1,0,1]=4 973 B2R0.1 CC#N A119012 [2,0,0,0,0,0|1,0,1]=4 974 B2R0.1 CC#N A119013 [2,0,0,0,0,0|1,0,1]=4 975 B2R0.1 CC#N A119416 [2,0,0,0,0,0|1,0,1]=4 976 B2R0.1 CC#N A119780 [2,0,0,0,0,0|1,0,1]=4 977 B2R0.1 CC#N A338281 [2,0,0,0,0,0|1,0,1]=4 978 B2R0.1 CC#N A433531 [2,0,0,0,0,0|1,0,1]=4 979 B2R0.1 CC#N A491190 [2,0,0,0,0,0|1,0,1]=4 980 B2R0.1 CC#N B101063 [2,0,0,0,0,0|1,0,1]=4 981 B2R0.1 CC#N B294292 [2,0,0,0,0,0|1,0,1]=4 982 B2R0.1 CC#N B302790 [2,0,0,0,0,0|1,0,1]=4 983 B2R0.1 CC=O A113994 [2,0,0,0,0,0|0,0,2]=4 984 B2R0.1 CC=O A433551 [2,0,0,0,0,0|0,0,2]=4 985 B2R0.1 CC=O A639642 [2,0,0,0,0,0|0,0,2]=4 986 B2R0.1 CCI I102946 [2,0,0,0,0,0|1,0,0]=3 987 B2R0.1 CCI I409414 [2,0,0,0,0,0|1,0,0]=3 988 B2R0.1 CCN E105062 [2,0,0,0,0,0|1,0,0]=3 989 B2R0.1 CCN E110890 [2,0,0,0,0,0|1,0,0]=3 990 B2R0.1 CCN E156136 [2,0,0,0,0,0|1,0,0]=3 991 B2R0.1 CCN E156294 [2,0,0,0,0,0|1,0,0]=3 992 B2R0.1 CCN E466418 [2,0,0,0,0,0|1,0,0]=3 993 B2R0.1 CCN E492056 [2,0,0,0,0,0|1,0,0]=3 994 B2R0.1 CCN E492061 [2,0,0,0,0,0|1,0,0]=3 995 B2R0.1 CCN E492079 [2,0,0,0,0,0|1,0,0]=3 996 B2R0.1 CCO E102259 [2,0,0,0,0,0|0,0,0]=2 997 B2R0.1 CCO E102260 [2,0,0,0,0,0|0,0,0]=2 998 B2R0.1 CCO E304986 [2,0,0,0,0,0|0,0,0]=2 999 B2R0.1 CCO Z283415 [2,0,0,0,0,0|0,0,0]=2 1000 B2R0.1 CC[CH2-] P465899 [2,0,0,0,0,0|0,0,1]=3 1001 B2R0.1 CC[O-] A299740 [2,0,0,0,0,0|0,0,1]=3 1002 B2R0.1 CC[O-] L332172 [2,0,0,0,0,0|0,0,1]=3 1003 B2R0.1 CC[O-] M485726 [2,0,0,0,0,0|0,0,1]=3 1004 B2R0.1 CC[O-] N303439 [2,0,0,0,0,0|0,0,1]=3 1005 B2R0.1 CC[O-] S104118 [2,0,0,0,0,0|0,0,1]=3 1006 B2R0.1 CC[O-] S104119 [2,0,0,0,0,0|0,0,1]=3 1007 B2R0.1 CC[O-] S615768 [2,0,0,0,0,0|0,0,1]=3 1008 B2R0.1 CC[O-] T107173 [2,0,0,0,0,0|0,0,1]=3 1009 B2R0.1 CC[O-] T194162 [2,0,0,0,0,0|0,0,1]=3 1010 B2R0.1 CC[O-] T283534 [2,0,0,0,0,0|0,0,1]=3 1011 B2R0.1 CC[S-] S304707 [2,0,0,0,0,0|0,1,0]=3 1012 B2R0.1 CNC D108948 [2,0,0,0,0,0|1,0,0]=3 1013 B2R0.1 CNC D137625 [2,0,0,0,0,0|1,0,0]=3 1014 B2R0.1 CNC D155610 [2,0,0,0,0,0|1,0,0]=3 1015 B2R0.1 CNC D155682 [2,0,0,0,0,0|1,0,0]=3 1016 B2R0.1 CNC D424363 [2,0,0,0,0,0|1,0,0]=3 1017 B2R0.1 CNC D492747 [2,0,0,0,0,0|1,0,0]=3 1018 B2R0.1 CNO N138828 [2,0,0,0,0,0|1,0,0]=3 1019 B2R0.1 CON M109434 [2,0,0,0,0,0|2,0,0]=4 1020 B2R0.1 CSC B130054 [2,0,0,0,0,0|1,0,0]=3 1021 B2R0.1 CSC B130055 [2,0,0,0,0,0|1,0,0]=3 1022 B2R0.1 CSC C153396 [2,0,0,0,0,0|1,0,0]=3 1023 B2R0.1 CSC C170925 [2,0,0,0,0,0|1,0,0]=3 1024 B2R0.1 C[CH-]C D466158 [2,0,0,0,0,0|0,0,1]=3 1025 B2R0.1 C[Hg]Cl M114695 [2,0,0,0,0,0|2,0,0]=4 1026 B2R0.1 C[N-]C P283060 [2,0,0,0,0,0|1,0,0]=3 1027 B2R0.1 C[N-]C T161485 [2,0,0,0,0,0|1,0,0]=3 1028 B2R0.1 C[Se]C D154771 [2,0,0,0,0,0|1,0,0]=3 1029 B2R0.1 O[Al]=O B302379 [2,0,0,0,0,0|2,0,0]=4 1030 B2R0.1 O[Fe]=O Z492240 [2,0,0,0,0,0|2,0,0]=4 1031 B4R0.1 B(CC)(O)O E120272 [1,1,0,0,0,0|1,0,0]=3 1032 B4R0.1 C(C(=O)N)O G102639 [1,1,0,0,0,0|1,0,1]=4 1033 B4R0.1 C(C(=O)O)Br B108523 [1,1,0,0,0,0|1,0,1]=4 1034 B4R0.1 C(C(=O)O)Br B108524 [1,1,0,0,0,0|1,0,1]=4 1035 B4R0.1 C(C(=O)O)Br B108525 [1,1,0,0,0,0|1,0,1]=4 1036 B4R0.1 C(C(=O)O)Br B355164 [1,1,0,0,0,0|1,0,1]=4 1037 B4R0.1 C(C(=O)O)Br B434194 [1,1,0,0,0,0|1,0,1]=4 1038 B4R0.1 C(C(=O)O)Cl C485697 [1,1,0,0,0,0|1,0,1]=4 1039 B4R0.1 C(C(=O)O)I I104613 [1,1,0,0,0,0|1,0,1]=4 1040 B4R0.1 C(C(=O)O)N A110749 [1,1,0,0,0,0|1,0,1]=4 1041 B4R0.1 C(C(=O)O)N A110750 [1,1,0,0,0,0|1,0,1]=4 1042 B4R0.1 C(C(=O)O)N A110751 [1,1,0,0,0,0|1,0,1]=4 1043 B4R0.1 C(C(=O)O)N A110752 [1,1,0,0,0,0|1,0,1]=4 1044 B4R0.1 C(C(=O)O)N A111465 [1,1,0,0,0,0|1,0,1]=4 1045 B4R0.1 C(C(=O)O)N A124751 [1,1,0,0,0,0|1,0,1]=4 1046 B4R0.1 C(C(=O)O)N A124757 [1,1,0,0,0,0|1,0,1]=4 1047 B4R0.1 C(C(=O)O)N A298706 [1,1,0,0,0,0|1,0,1]=4 1048 B4R0.1 C(C(=O)O)N B190646 [1,1,0,0,0,0|1,0,1]=4 1049 B4R0.1 C(C(=O)O)N B573462 [1,1,0,0,0,0|1,0,1]=4 1050 B4R0.1 C(C(=O)O)N G110174 [1,1,0,0,0,0|1,0,1]=4 1051 B4R0.1 C(C(=O)O)N G119904 [1,1,0,0,0,0|1,0,1]=4 1052 B4R0.1 C(C(=O)O)N G133060 [1,1,0,0,0,0|1,0,1]=4 1053 B4R0.1 C(C(=O)O)N G156794 [1,1,0,0,0,0|1,0,1]=4 1054 B4R0.1 C(C(=O)O)N G156795 [1,1,0,0,0,0|1,0,1]=4 1055 B4R0.1 C(C(=O)O)N G432934 [1,1,0,0,0,0|1,0,1]=4 1056 B4R0.1 C(C(=O)O)N G432935 [1,1,0,0,0,0|1,0,1]=4 1057 B4R0.1 C(C(=O)O)N G471905 [1,1,0,0,0,0|1,0,1]=4 1058 B4R0.1 C(C(=O)O)N G472098 [1,1,0,0,0,0|1,0,1]=4 1059 B4R0.1 C(C(=O)O)O G104191 [1,1,0,0,0,0|1,0,1]=4 1060 B4R0.1 C(C(=O)O)O G104193 [1,1,0,0,0,0|1,0,1]=4 1061 B4R0.1 C(C(=O)O)O G425976 [1,1,0,0,0,0|1,0,1]=4 1062 B4R0.1 C(C(=O)O)O G434198 [1,1,0,0,0,0|1,0,1]=4 1063 B4R0.1 C(C(=O)O)O G591002 [1,1,0,0,0,0|1,0,1]=4 1064 B4R0.1 C(C(=O)O)O N129652 [1,1,0,0,0,0|1,0,1]=4 1065 B4R0.1 C(C(=O)O)O N427119 [1,1,0,0,0,0|1,0,1]=4 1066 B4R0.1 C(C(=O)O)O P136309 [1,1,0,0,0,0|1,0,1]=4 1067 B4R0.1 C(C(=O)O)O P477164 [1,1,0,0,0,0|1,0,1]=4 1068 B4R0.1 C(C(=O)O)S T104998 [1,1,0,0,0,0|1,0,1]=4 1069 B4R0.1 C(C(=O)O)S T105002 [1,1,0,0,0,0|1,0,1]=4 1070 B4R0.1 C(C(=O)O)S T501446 [1,1,0,0,0,0|1,0,1]=4 1071 B4R0.1 C(C(=O)[O-])O C154022 [1,1,0,0,0,0|1,0,1]=4 1072 B4R0.1 C(C(=O)[O-])O C347797 [1,1,0,0,0,0|1,0,1]=4 1073 B4R0.1 C(C(=O)[O-])O S102872 [1,1,0,0,0,0|1,0,1]=4 1074 B4R0.1 C(C(Br)Br)Br T162280 [1,1,0,0,0,0|2,0,0]=4 1075 B4R0.1 C(C(Cl)Cl)Cl T110587 [1,1,0,0,0,0|2,0,0]=4 1076 B4R0.1 C(C(Cl)Cl)Cl T110588 [1,1,0,0,0,0|2,0,0]=4 1077 B4R0.1 C(C(Cl)Cl)Cl T110590 [1,1,0,0,0,0|2,0,0]=4 1078 B4R0.1 C(C(Cl)Cl)Cl T110591 [1,1,0,0,0,0|2,0,0]=4 1079 B4R0.1 C(C(Cl)Cl)O D472528 [1,1,0,0,0,0|1,0,0]=3 1080 B4R0.1 C(C(F)F)I I185481 [1,1,0,0,0,0|2,0,0]=4 1081 B4R0.1 C(C(F)F)N D155259 [1,1,0,0,0,0|2,0,0]=4 1082 B4R0.1 C(C(F)F)O D102785 [1,1,0,0,0,0|1,0,0]=3 1083 B4R0.1 C(O)S(=O)[O-] R110955 [1,1,0,0,0,0|2,0,0]=4 1084 B4R0.1 C=C(CO)Br B352406 [1,1,0,0,0,0|0,0,2]=4 1085 B4R0.1 C=C(CO)Cl C171127 [1,1,0,0,0,0|0,0,2]=4 1086 B4R0.1 CC(=C)CBr B101577 [1,1,0,0,0,0|1,0,1]=4 1087 B4R0.1 CC(=C)CCl C106528 [1,1,0,0,0,0|1,0,1]=4 1088 B4R0.1 CC(=C)CN M158608 [1,1,0,0,0,0|1,0,1]=4 1089 B4R0.1 CC(=C)CO M107570 [1,1,0,0,0,0|0,0,1]=3 1090 B4R0.1 CC(=NO)C A112746 [1,1,0,0,0,0|1,0,1]=4 1091 B4R0.1 CC(=NO)N A151385 [1,1,0,0,0,0|1,0,1]=4 1092 B4R0.1 CC(=O)CF F170335 [1,1,0,0,0,0|1,0,1]=4 1093 B4R0.1 CC(=O)CN A186558 [1,1,0,0,0,0|1,0,1]=4 1094 B4R0.1 CC(=O)CN A485063 [1,1,0,0,0,0|1,0,1]=4 1095 B4R0.1 CC(=O)CO H111149 [1,1,0,0,0,0|0,0,1]=3 1096 B4R0.1 CC(=O)NC M106450 [1,1,0,0,0,0|1,0,1]=4 1097 B4R0.1 CC(=O)NO A106239 [1,1,0,0,0,0|1,0,1]=4 1098 B4R0.1 CC(=O)OC M103353 [1,1,0,0,0,0|1,0,1]=4 1099 B4R0.1 CC(=O)OC M103354 [1,1,0,0,0,0|1,0,1]=4 1100 B4R0.1 CC(=O)OC M103356 [1,1,0,0,0,0|1,0,1]=4 1101 B4R0.1 CC(=O)OC M103357 [1,1,0,0,0,0|1,0,1]=4 1102 B4R0.1 CC(=O)OC M103358 [1,1,0,0,0,0|1,0,1]=4 1103 B4R0.1 CC(=O)OC M103359 [1,1,0,0,0,0|1,0,1]=4 1104 B4R0.1 CC(=O)SC S161332 [1,1,0,0,0,0|1,0,1]=4 1105 B4R0.1 CC(C#C)Br B476941 [1,1,0,0,0,0|0,0,2]=4 1106 B4R0.1 CC(C#C)N B589081 [1,1,0,0,0,0|0,0,2]=4 1107 B4R0.1 CC(C#C)O B106248 [1,1,0,0,0,0|0,0,2]=4 1108 B4R0.1 CC(C#C)O B301756 [1,1,0,0,0,0|0,0,2]=4 1109 B4R0.1 CC(C#C)O R160842 [1,1,0,0,0,0|0,0,2]=4 1110 B4R0.1 CC(C#C)O S161362 [1,1,0,0,0,0|0,0,2]=4 1111 B4R0.1 CC(C#N)Br B168276 [1,1,0,0,0,0|1,0,1]=4 1112 B4R0.1 CC(C#N)Cl C122640 [1,1,0,0,0,0|1,0,1]=4 1113 B4R0.1 CC(C#N)N A186242 [1,1,0,0,0,0|1,0,1]=4 1114 B4R0.1 CC(C)C#N I475044 [1,1,0,0,0,0|1,0,1]=4 1115 B4R0.1 CC(C)C=O I108291 [1,1,0,0,0,0|0,0,2]=4 1116 B4R0.1 CC(C)C=O I108292 [1,1,0,0,0,0|0,0,2]=4 1117 B4R0.1 CC(C)C=O I108293 [1,1,0,0,0,0|0,0,2]=4 1118 B4R0.1 CC(C)CBr B105783 [1,1,0,0,0,0|1,0,0]=3 1119 B4R0.1 CC(C)CCl C106087 [1,1,0,0,0,0|1,0,0]=3 1120 B4R0.1 CC(C)CI F118498 [1,1,0,0,0,0|1,0,0]=3 1121 B4R0.1 CC(C)CN I103753 [1,1,0,0,0,0|1,0,0]=3 1122 B4R0.1 CC(C)CN I103755 [1,1,0,0,0,0|1,0,0]=3 1123 B4R0.1 CC(C)CN I103759 [1,1,0,0,0,0|1,0,0]=3 1124 B4R0.1 CC(C)CN I157488 [1,1,0,0,0,0|1,0,0]=3 1125 B4R0.1 CC(C)CN I157494 [1,1,0,0,0,0|1,0,0]=3 1126 B4R0.1 CC(C)CN I157655 [1,1,0,0,0,0|1,0,0]=3 1127 B4R0.1 CC(C)CO M103311 [1,1,0,0,0,0|0,0,0]=2 1128 B4R0.1 CC(C)CO M103312 [1,1,0,0,0,0|0,0,0]=2 1129 B4R0.1 CC(C)CO M103313 [1,1,0,0,0,0|0,0,0]=2 1130 B4R0.1 CC(C)CO M103314 [1,1,0,0,0,0|0,0,0]=2 1131 B4R0.1 CC(C)CO M103315 [1,1,0,0,0,0|0,0,0]=2 1132 B4R0.1 CC(C)CO M103316 [1,1,0,0,0,0|0,0,0]=2 1133 B4R0.1 CC(C)CO M103317 [1,1,0,0,0,0|0,0,0]=2 1134 B4R0.1 CC(C)CO M359227 [1,1,0,0,0,0|0,0,0]=2 1135 B4R0.1 CC(C)CS M102325 [1,1,0,0,0,0|0,1,0]=3 1136 B4R0.1 CC(C)NC I124664 [1,1,0,0,0,0|1,0,0]=3 1137 B4R0.1 CC(C)NN I157577 [1,1,0,0,0,0|2,0,0]=4 1138 B4R0.1 CC(C)NO N159552 [1,1,0,0,0,0|1,0,0]=3 1139 B4R0.1 CC(C)SC I132403 [1,1,0,0,0,0|1,0,0]=3 1140 B4R0.1 CC(C=C)Cl C163038 [1,1,0,0,0,0|0,0,2]=4 1141 B4R0.1 CC(C=C)O B152755 [1,1,0,0,0,0|0,0,2]=4 1142 B4R0.1 CC(CBr)Br D106539 [1,1,0,0,0,0|1,0,0]=3 1143 B4R0.1 CC(CBr)O B152044 [1,1,0,0,0,0|1,0,0]=3 1144 B4R0.1 CC(CCl)Cl D108186 [1,1,0,0,0,0|1,0,0]=3 1145 B4R0.1 CC(CCl)Cl D108187 [1,1,0,0,0,0|1,0,0]=3 1146 B4R0.1 CC(CCl)Cl D108188 [1,1,0,0,0,0|1,0,0]=3 1147 B4R0.1 CC(CCl)Cl D128131 [1,1,0,0,0,0|1,0,0]=3 1148 B4R0.1 CC(CCl)O C113556 [1,1,0,0,0,0|1,0,0]=3 1149 B4R0.1 CC(CCl)O R191807 [1,1,0,0,0,0|1,0,0]=3 1150 B4R0.1 CC(CCl)O S189129 [1,1,0,0,0,0|1,0,0]=3 1151 B4R0.1 CC(CN)N I131828 [1,1,0,0,0,0|1,0,0]=3 1152 B4R0.1 CC(CN)N P103897 [1,1,0,0,0,0|1,0,0]=3 1153 B4R0.1 CC(CN)N P121635 [1,1,0,0,0,0|1,0,0]=3 1154 B4R0.1 CC(CN)O A108441 [1,1,0,0,0,0|1,0,0]=3 1155 B4R0.1 CC(CN)O A108442 [1,1,0,0,0,0|1,0,0]=3 1156 B4R0.1 CC(CN)O A278622 [1,1,0,0,0,0|1,0,0]=3 1157 B4R0.1 CC(CN)O A299438 [1,1,0,0,0,0|1,0,0]=3 1158 B4R0.1 CC(CN)O I157481 [1,1,0,0,0,0|1,0,0]=3 1159 B4R0.1 CC(CN)O R160942 [1,1,0,0,0,0|1,0,0]=3 1160 B4R0.1 CC(CN)O S161024 [1,1,0,0,0,0|1,0,0]=3 1161 B4R0.1 CC(CO)Cl S138418 [1,1,0,0,0,0|0,0,0]=2 1162 B4R0.1 CC(CO)N A109243 [1,1,0,0,0,0|0,0,0]=2 1163 B4R0.1 CC(CO)N A117128 [1,1,0,0,0,0|0,0,0]=2 1164 B4R0.1 CC(CO)N A117165 [1,1,0,0,0,0|0,0,0]=2 1165 B4R0.1 CC(CO)O P101749 [1,1,0,0,0,0|0,0,0]=2 1166 B4R0.1 CC(CO)O P101750 [1,1,0,0,0,0|0,0,0]=2 1167 B4R0.1 CC(CO)O P103429 [1,1,0,0,0,0|0,0,0]=2 1168 B4R0.1 CC(CO)O P103430 [1,1,0,0,0,0|0,0,0]=2 1169 B4R0.1 CC(CO)O P103433 [1,1,0,0,0,0|0,0,0]=2 1170 B4R0.1 CC(CO)O P103434 [1,1,0,0,0,0|0,0,0]=2 1171 B4R0.1 CC(CO)O P424846 [1,1,0,0,0,0|0,0,0]=2 1172 B4R0.1 CC(CS)S P160528 [1,1,0,0,0,0|0,1,0]=3 1173 B4R0.1 CC=C(C)Br B151979 [1,1,0,0,0,0|0,0,2]=4 1174 B4R0.1 CC=C(C)Cl C153915 [1,1,0,0,0,0|0,0,2]=4 1175 B4R0.1 CCC(=N)N P588869 [1,1,0,0,0,0|1,0,1]=4 1176 B4R0.1 CCC(=O)Br P107847 [1,1,0,0,0,0|0,0,2]=4 1177 B4R0.1 CCC(=O)C B471974 [1,1,0,0,0,0|0,0,1]=3 1178 B4R0.1 CCC(=O)Cl P108665 [1,1,0,0,0,0|0,0,2]=4 1179 B4R0.1 CCC(=O)N P104016 [1,1,0,0,0,0|0,0,2]=4 1180 B4R0.1 CCC(=O)O P110443 [1,1,0,0,0,0|0,0,1]=3 1181 B4R0.1 CCC(=O)O P110444 [1,1,0,0,0,0|0,0,1]=3 1182 B4R0.1 CCC(=O)O P110445 [1,1,0,0,0,0|0,0,1]=3 1183 B4R0.1 CCC(=O)O P110446 [1,1,0,0,0,0|0,0,1]=3 1184 B4R0.1 CCC(=O)O P110447 [1,1,0,0,0,0|0,0,1]=3 1185 B4R0.1 CCC(=O)O P301795 [1,1,0,0,0,0|0,0,1]=3 1186 B4R0.1 CCC(=O)O P343294 [1,1,0,0,0,0|0,0,1]=3 1187 B4R0.1 CCC(=O)O P346208 [1,1,0,0,0,0|0,0,1]=3 1188 B4R0.1 CCC(=O)O P434195 [1,1,0,0,0,0|0,0,1]=3 1189 B4R0.1 CCC(=O)[O-] C112470 [1,1,0,0,0,0|0,0,2]=4 1190 B4R0.1 CCC(=O)[O-] C112471 [1,1,0,0,0,0|0,0,2]=4 1191 B4R0.1 CCC(=O)[O-] C492256 [1,1,0,0,0,0|0,0,2]=4 1192 B4R0.1 CCC(=O)[O-] P160177 [1,1,0,0,0,0|0,0,2]=4 1193 B4R0.1 CCC(=O)[O-] S100120 [1,1,0,0,0,0|0,0,2]=4 1194 B4R0.1 CCC(=O)[O-] S100121 [1,1,0,0,0,0|0,0,2]=4 1195 B4R0.1 CCC(=O)[O-] S100122 [1,1,0,0,0,0|0,0,2]=4 1196 B4R0.1 CCC(=O)[O-] S346177 [1,1,0,0,0,0|0,0,2]=4 1197 B4R0.1 CCC(=O)[O-] Z346699 [1,1,0,0,0,0|0,0,2]=4 1198 B4R0.1 CCC(C)Br B109117 [1,1,0,0,0,0|0,0,0]=2 1199 B4R0.1 CCC(C)Br B109118 [1,1,0,0,0,0|0,0,0]=2 1200 B4R0.1 CCC(C)Cl C109267 [1,1,0,0,0,0|0,0,0]=2 1201 B4R0.1 CCC(C)Cl C109268 [1,1,0,0,0,0|0,0,0]=2 1202 B4R0.1 CCC(C)I B105795 [1,1,0,0,0,0|0,0,0]=2 1203 B4R0.1 CCC(C)N B105239 [1,1,0,0,0,0|0,0,0]=2 1204 B4R0.1 CCC(C)N I166970 [1,1,0,0,0,0|0,0,0]=2 1205 B4R0.1 CCC(C)N S161321 [1,1,0,0,0,0|0,0,0]=2 1206 B4R0.1 CCC(C)O B110360 [1,1,0,0,0,0|0,0,0]=2 1207 B4R0.1 CCC(C)O B110361 [1,1,0,0,0,0|0,0,0]=2 1208 B4R0.1 CCC(C)O B110362 [1,1,0,0,0,0|0,0,0]=2 1209 B4R0.1 CCC(C)O B110365 [1,1,0,0,0,0|0,0,0]=2 1210 B4R0.1 CCC(C)O R138264 [1,1,0,0,0,0|0,0,0]=2 1211 B4R0.1 CCC(C)O S138824 [1,1,0,0,0,0|0,0,0]=2 1212 B4R0.1 CCC(C)S B102330 [1,1,0,0,0,0|0,0,0]=2 1213 B4R0.1 CCC(Cl)Cl D469688 [1,1,0,0,0,0|1,0,0]=3 1214 B4R0.1 CCS(=O)[O-] S182544 [1,1,0,0,0,0|1,0,1]=4 1215 B4R0.1 CC[Si](C)C E194931 [1,1,0,0,0,0|0,1,0]=3 1216 B4R0.1 CN=[N+](C)[O-] A169090 [1,1,0,0,0,0|2,0,0]=4 1217 B4R0.1 COC(Cl)Cl D109451 [1,1,0,0,0,0|2,0,0]=4 1218 B4R0.1 C[Si](C)CCl C357376 [1,1,0,0,0,0|1,1,0]=4 1219 B6R0.1 C(C#N)C(CCl)O C123021 [0,2,0,0,0,0|1,0,1]=4 1220 B6R0.1 C(C#N)C(CCl)O S190446 [0,2,0,0,0,0|1,0,1]=4 1221 B6R0.1 C(C(=O)NCO)Cl C169257 [0,2,0,0,0,0|1,0,1]=4 1222 B6R0.1 C(CO)C(CO)O B105549 [0,2,0,0,0,0|0,0,0]=2 1223 B6R0.1 C(CO)C(CO)O B118474 [0,2,0,0,0,0|0,0,0]=2 1224 B6R0.1 C(CO)C(CO)O R472595 [0,2,0,0,0,0|0,0,0]=2 1225 B6R0.1 C(CO)C(CO)O S102777 [0,2,0,0,0,0|0,0,0]=2 1226 B6R0.1 CC(CC=O)SC M102934 [0,2,0,0,0,0|0,0,2]=4 1227 B6R0.1 CC(CCO)OC M102190 [0,2,0,0,0,0|0,0,0]=2 1228 B6R0.1 CC(COC)OC D155537 [0,2,0,0,0,0|1,0,0]=3 1229 B6R0.1 CCC(=O)OCC E103457 [0,2,0,0,0,0|1,0,1]=4 1230 B6R0.1 CCC(=O)OCC E103458 [0,2,0,0,0,0|1,0,1]=4 1231 B6R0.1 CCC(=O)OCC E103459 [0,2,0,0,0,0|1,0,1]=4 1232 B6R0.1 CCC(=O)OCC E103460 [0,2,0,0,0,0|1,0,1]=4 1233 B6R0.1 CCC(=O)OCC E278958 [0,2,0,0,0,0|1,0,1]=4 1234 B6R0.1 CCC(=O)SCC S133123 [0,2,0,0,0,0|1,0,1]=4 1235 B6R0.1 CCC(C)N=C=S B140604 [0,2,0,0,0,0|0,1,1]=4 1236 B6R0.1 CCC(C)OCC S161060 [0,2,0,0,0,0|1,0,0]=3 1237 B6R0.1 CCC(CC#C)O H157361 [0,2,0,0,0,0|1,0,0]=3 1238 B6R0.1 CCC(CCN)N D155073 [0,2,0,0,0,0|1,0,0]=3 1239 B6R0.1 CCC(COC)N A151357 [0,2,0,0,0,0|0,0,0]=2 1240 B6R0.1 CCC(COC)O M158749 [0,2,0,0,0,0|0,0,0]=2 1241 B6R0.1 CCCC(=O)CC H106710 [0,2,0,0,0,0|1,0,0]=3 1242 B6R0.1 CCCC(=O)NN B183968 [0,2,0,0,0,0|0,0,2]=4 1243 B6R0.1 CCCC(=O)OC M100038 [0,2,0,0,0,0|0,0,1]=3 1244 B6R0.1 CCCC(=O)OC M100039 [0,2,0,0,0,0|0,0,1]=3 1245 B6R0.1 CCCC(=O)OC M100040 [0,2,0,0,0,0|0,0,1]=3 1246 B6R0.1 CCCC(=O)SC M102997 [0,2,0,0,0,0|0,0,2]=4 1247 B6R0.1 CCCC(C#C)O H101580 [0,2,0,0,0,0|0,0,0]=2 1248 B6R0.1 CCCC(C)C=O M158691 [0,2,0,0,0,0|0,0,1]=3 1249 B6R0.1 CCCC(C)CC M158521 [0,2,0,0,0,0|1,0,0]=3 1250 B6R0.1 CCCC(C)CO M113625 [0,2,0,0,0,0|0,0,0]=2 1251 B6R0.1 CCCC(C=C)O H157268 [0,2,0,0,0,0|0,0,0]=2 1252 B6R0.1 CCCC(CC)Br B152444 [0,2,0,0,0,0|1,0,0]=3 1253 B6R0.1 CCCC(CC)Cl C153662 [0,2,0,0,0,0|1,0,0]=3 1254 B6R0.1 CCCC(CC)O H133955 [0,2,0,0,0,0|0,0,0]=2 1255 B6R0.1 CCCC(CO)N D333561 [0,2,0,0,0,0|0,0,0]=2 1256 B6R0.1 CCCC(CO)N I168777 [0,2,0,0,0,0|0,0,0]=2 1257 B6R0.1 CCCC(CO)O P108068 [0,2,0,0,0,0|0,0,0]=2 1258 B6R0.1 CCOC(=NO)C E124202 [0,2,0,0,0,0|1,0,1]=4 1259 B6R0.1 CCOC(=O)CBr E106090 [0,2,0,0,0,0|1,0,1]=4 1260 B6R0.1 CCOC(=O)CCl E105166 [0,2,0,0,0,0|1,0,1]=4 1261 B6R0.1 CCOC(=O)CCl E105167 [0,2,0,0,0,0|1,0,1]=4 1262 B6R0.1 CCOC(=O)CF E107563 [0,2,0,0,0,0|1,0,1]=4 1263 B6R0.1 CCOC(=O)CN G105477 [0,2,0,0,0,0|1,0,1]=4 1264 B6R0.1 CCOC(=O)CO E101730 [0,2,0,0,0,0|0,0,1]=3 1265 B6R0.1 CCOC(=O)CS E109439 [0,2,0,0,0,0|0,1,1]=4 1266 B6R0.1 CCOC(=O)OC E110111 [0,2,0,0,0,0|1,0,1]=4 1267 B6R0.1 CCOC(=O)OC E433135 [0,2,0,0,0,0|1,0,1]=4 1268 B6R0.1 CNCC(CO)O M157918 [0,2,0,0,0,0|0,0,0]=2 1269 B6R0.1 COC(=O)CCBr M158830 [0,2,0,0,0,0|1,0,1]=4 1270 B6R0.1 COC(=O)CCN A104532 [0,2,0,0,0,0|1,0,1]=4 1271 B6R0.1 COC(=O)CCO D304149 [0,2,0,0,0,0|0,0,1]=3 1272 B6R0.1 COC(=O)CCS M107600 [0,2,0,0,0,0|0,1,1]=4 1273 B6R0.1 COC(=O)CSC M120419 [0,2,0,0,0,0|1,0,1]=4 1274 B6R0.1 COCC(=O)OC M106398 [0,2,0,0,0,0|1,0,1]=4 1275 B6R0.1 COCC(CCl)O C153895 [0,2,0,0,0,0|1,0,0]=3 1276 B6R0.1 COCC(CN)O A479789 [0,2,0,0,0,0|1,0,0]=3 1277 B6R0.1 COCC(CO)O M135227 [0,2,0,0,0,0|0,0,0]=2 1278 B6R0.2 B(CC(C)C)(O)O M120307 [0,2,0,0,0,0|1,0,0]=3 1279 B6R0.2 B(CC(C)C)(O)O M299536 [0,2,0,0,0,0|1,0,0]=3 1280 B6R0.2 CC(C)CC(=O)C M108736 [0,2,0,0,0,0|0,0,2]=4 1281 B6R0.2 CC(C)CC(=O)C M108737 [0,2,0,0,0,0|0,0,2]=4 1282 B6R0.2 CC(C)CC(=O)C M108738 [0,2,0,0,0,0|0,0,2]=4 1283 B6R0.2 CC(C)CC(=O)C M108740 [0,2,0,0,0,0|0,0,2]=4 1284 B6R0.2 CC(C)CC(=O)C M108741 [0,2,0,0,0,0|0,0,2]=4 1285 B6R0.2 CC(C)CC(=O)C M492092 [0,2,0,0,0,0|0,0,2]=4 1286 B6R0.2 CC(C)CC(=O)Cl I157679 [0,2,0,0,0,0|0,0,2]=4 1287 B6R0.2 CC(C)CC(=O)O I108280 [0,2,0,0,0,0|0,0,1]=3 1288 B6R0.2 CC(C)CC(=O)O I108281 [0,2,0,0,0,0|0,0,1]=3 1289 B6R0.2 CC(C)CC(=O)O I424338 [0,2,0,0,0,0|0,0,1]=3 1290 B6R0.2 CC(C)CC(=O)O I432771 [0,2,0,0,0,0|0,0,1]=3 1291 B6R0.2 CC(C)CC(C)C D155236 [0,2,0,0,0,0|1,0,0]=3 1292 B6R0.2 CC(C)CC(C)N D154510 [0,2,0,0,0,0|1,0,0]=3 1293 B6R0.2 CC(C)CC(C)O M104491 [0,2,0,0,0,0|0,0,0]=2 1294 B6R0.2 CC(C)NC(C)C D108297 [0,2,0,0,0,0|2,0,0]=4 1295 B6R0.2 CC(C)NC(C)C D108298 [0,2,0,0,0,0|2,0,0]=4 1296 B6R0.2 CC(C)NC(C)C D108299 [0,2,0,0,0,0|2,0,0]=4 1297 B6R0.2 CC(C)NC(C)C D108300 [0,2,0,0,0,0|2,0,0]=4 1298 B6R0.2 CC(C)NC(C)C D108301 [0,2,0,0,0,0|2,0,0]=4 1299 B6R0.2 CC(C)NC(C)C D135665 [0,2,0,0,0,0|2,0,0]=4 1300 B6R0.2 CC(C)NC(C)C D154669 [0,2,0,0,0,0|2,0,0]=4 1301 B6R0.2 CC(C)NC(C)C D399268 [0,2,0,0,0,0|2,0,0]=4 1302 B6R0.2 CC(C)NC(C)C D404340 [0,2,0,0,0,0|2,0,0]=4 1303 B6R0.2 CC(C)NC(C)C D494183 [0,2,0,0,0,0|2,0,0]=4 1304 B6R0.2 CC(C)OC(C)C I110454 [0,2,0,0,0,0|2,0,0]=4 1305 B6R0.2 CC(C)OC(C)C I110455 [0,2,0,0,0,0|2,0,0]=4 1306 B6R0.2 CC(C)OC(C)C I110457 [0,2,0,0,0,0|2,0,0]=4 1307 B6R0.2 CC(C)OC(C)C I110458 [0,2,0,0,0,0|2,0,0]=4 1308 B6R0.2 CC(C)OC(C)C I119694 [0,2,0,0,0,0|2,0,0]=4 1309 B6R0.2 CC(C)SC(C)C I157604 [0,2,0,0,0,0|2,0,0]=4 1310 B6R0.2 CC(CC(=O)O)Br B169132 [0,2,0,0,0,0|0,0,1]=3 1311 B6R0.2 CC(CC(=O)O)Cl C153466 [0,2,0,0,0,0|0,0,1]=3 1312 B6R0.2 CC(CC(=O)O)N A100948 [0,2,0,0,0,0|0,0,1]=3 1313 B6R0.2 CC(CC(=O)O)N H117041 [0,2,0,0,0,0|0,0,1]=3 1314 B6R0.2 CC(CC(=O)O)N R184127 [0,2,0,0,0,0|0,0,1]=3 1315 B6R0.2 CC(CC(=O)O)N S193074 [0,2,0,0,0,0|0,0,1]=3 1316 B6R0.2 CC(CC(=O)O)O P347707 [0,2,0,0,0,0|0,0,1]=3 1317 B6R0.2 CC(CC(=O)O)O R304188 [0,2,0,0,0,0|0,0,1]=3 1318 B6R0.2 CC(CC(=O)O)O R425172 [0,2,0,0,0,0|0,0,1]=3 1319 B6R0.2 CC(CC(=O)O)O S161108 [0,2,0,0,0,0|0,0,1]=3 1320 B6R0.2 CC(CC(=O)O)O S194215 [0,2,0,0,0,0|0,0,1]=3 1321 B6R0.2 CC(CC(=O)[O-])O B301134 [0,2,0,0,0,0|0,0,2]=4 1322 B6R0.2 CC(CC(=O)[O-])O H121822 [0,2,0,0,0,0|0,0,2]=4 1323 B6R0.2 CC(CC(=O)[O-])O X131756 [0,2,0,0,0,0|0,0,2]=4 1324 B6R0.2 CC(CC(C)Br)Br D155303 [0,2,0,0,0,0|1,0,0]=3 1325 B6R0.2 CC(CC(C)O)O R160958 [0,2,0,0,0,0|0,0,0]=2 1326 B6R0.2 CC(CC(C)O)O S161001 [0,2,0,0,0,0|0,0,0]=2 1327 B6R0.2 CC(CN(C)C)Cl C153815 [0,2,0,0,0,0|2,0,0]=4 1328 B6R0.2 CC(CN(C)C)O B282542 [0,2,0,0,0,0|1,0,0]=3 1329 B6R0.2 CC(CN(C)C)O D155704 [0,2,0,0,0,0|1,0,0]=3 1330 B6R0.2 CN(C)CC(=O)O D115675 [0,2,0,0,0,0|1,0,1]=4 1331 B6R0.2 CN(C)CC(=O)O N159831 [0,2,0,0,0,0|1,0,1]=4 1332 B6R0.2 CN(C)CC(=O)O N420632 [0,2,0,0,0,0|1,0,1]=4 1333 B6R0.3 B(C(C)CC)(O)O B120306 [0,2,0,0,0,0|1,0,0]=3 1334 B6R0.3 C(C(C(=O)N)N)O S134102 [0,2,0,0,0,0|1,0,1]=4 1335 B6R0.3 C(C(C(=O)O)Br)Br D155446 [0,2,0,0,0,0|1,0,1]=4 1336 B6R0.3 C(C(C(=O)O)N)Cl C153754 [0,2,0,0,0,0|1,0,1]=4 1337 B6R0.3 C(C(C(=O)O)N)Cl C341469 [0,2,0,0,0,0|1,0,1]=4 1338 B6R0.3 C(C(C(=O)O)N)N D102444 [0,2,0,0,0,0|1,0,1]=4 1339 B6R0.3 C(C(C(=O)O)N)N D102445 [0,2,0,0,0,0|1,0,1]=4 1340 B6R0.3 C(C(C(=O)O)N)N O105987 [0,2,0,0,0,0|1,0,1]=4 1341 B6R0.3 C(C(C(=O)O)N)N S161147 [0,2,0,0,0,0|1,0,1]=4 1342 B6R0.3 C(C(C(=O)O)N)O D423121 [0,2,0,0,0,0|1,0,1]=4 1343 B6R0.3 C(C(C(=O)O)N)O D423225 [0,2,0,0,0,0|1,0,1]=4 1344 B6R0.3 C(C(C(=O)O)N)O L424779 [0,2,0,0,0,0|1,0,1]=4 1345 B6R0.3 C(C(C(=O)O)N)O L476400 [0,2,0,0,0,0|1,0,1]=4 1346 B6R0.3 C(C(C(=O)O)N)O S103483 [0,2,0,0,0,0|1,0,1]=4 1347 B6R0.3 C(C(C(=O)O)N)O S105977 [0,2,0,0,0,0|1,0,1]=4 1348 B6R0.3 C(C(C(=O)O)N)O S108219 [0,2,0,0,0,0|1,0,1]=4 1349 B6R0.3 C(C(C(=O)O)N)O S118658 [0,2,0,0,0,0|1,0,1]=4 1350 B6R0.3 C(C(C(=O)O)N)O S137887 [0,2,0,0,0,0|1,0,1]=4 1351 B6R0.3 C(C(C(=O)O)N)O S137888 [0,2,0,0,0,0|1,0,1]=4 1352 B6R0.3 C(C(C(=O)O)N)O S432938 [0,2,0,0,0,0|1,0,1]=4 1353 B6R0.3 C(C(C(=O)O)N)S C108237 [0,2,0,0,0,0|1,0,1]=4 1354 B6R0.3 C(C(C(=O)O)N)S C108238 [0,2,0,0,0,0|1,0,1]=4 1355 B6R0.3 C(C(C(=O)O)N)S C110184 [0,2,0,0,0,0|1,0,1]=4 1356 B6R0.3 C(C(C(=O)O)N)S C110436 [0,2,0,0,0,0|1,0,1]=4 1357 B6R0.3 C(C(C(=O)O)N)S C110437 [0,2,0,0,0,0|1,0,1]=4 1358 B6R0.3 C(C(C(=O)O)N)S C113143 [0,2,0,0,0,0|1,0,1]=4 1359 B6R0.3 C(C(C(=O)O)N)S C118575 [0,2,0,0,0,0|1,0,1]=4 1360 B6R0.3 C(C(C(=O)O)N)S D304972 [0,2,0,0,0,0|1,0,1]=4 1361 B6R0.3 C(C(C(=O)O)N)S L424532 [0,2,0,0,0,0|1,0,1]=4 1362 B6R0.3 C(C(C(=O)O)N)S L424534 [0,2,0,0,0,0|1,0,1]=4 1363 B6R0.3 C(C(C(=O)O)N)S L432833 [0,2,0,0,0,0|1,0,1]=4 1364 B6R0.3 C(C(C(=O)O)N)S S161428 [0,2,0,0,0,0|1,0,1]=4 1365 B6R0.3 C(C(C(=O)O)N)S S588042 [0,2,0,0,0,0|1,0,1]=4 1366 B6R0.3 C(C(C(=O)O)O)N I123583 [0,2,0,0,0,0|1,0,1]=4 1367 B6R0.3 C(C(C(=O)O)O)N S137278 [0,2,0,0,0,0|1,0,1]=4 1368 B6R0.3 C(C(C(=O)O)O)O D278734 [0,2,0,0,0,0|1,0,1]=4 1369 B6R0.3 CC(C(=O)O)NC I133832 [0,2,0,0,0,0|1,0,1]=4 1370 B6R0.3 CC(C(=O)O)NC I135858 [0,2,0,0,0,0|1,0,1]=4 1371 B6R0.3 CC(C(=O)O)NC N303350 [0,2,0,0,0,0|1,0,1]=4 1372 B6R0.3 CC(C(=O)O)OC M193402 [0,2,0,0,0,0|1,0,1]=4 1373 B6R0.3 CC(C(=O)O)OC P477810 [0,2,0,0,0,0|1,0,1]=4 1374 B6R0.3 CC(C(=O)OC)O M132799 [0,2,0,0,0,0|1,0,1]=4 1375 B6R0.3 CC(C(=O)OC)O M158257 [0,2,0,0,0,0|1,0,1]=4 1376 B6R0.3 CC(C(=O)OC)O M158854 [0,2,0,0,0,0|1,0,1]=4 1377 B6R0.3 CC(C(CO)N)O S134976 [0,2,0,0,0,0|0,0,0]=2 1378 B6R0.3 CC(C(CO)N)O T117147 [0,2,0,0,0,0|0,0,0]=2 1379 B6R0.3 CC(C(CO)O)O B152043 [0,2,0,0,0,0|0,0,0]=2 1380 B6R0.3 CC(C)C(CO)N S160983 [0,2,0,0,0,0|0,0,0]=2 1381 B6R0.3 CC(C)C(CO)N V117153 [0,2,0,0,0,0|0,0,0]=2 1382 B6R0.3 CC(C)C(CO)N V118431 [0,2,0,0,0,0|0,0,0]=2 1383 B6R0.3 CC(CBr)C(=O)O B135992 [0,2,0,0,0,0|1,0,1]=4 1384 B6R0.3 CC(CN)C(=O)O D131745 [0,2,0,0,0,0|1,0,1]=4 1385 B6R0.3 CC(CN)C(=O)O R340811 [0,2,0,0,0,0|1,0,1]=4 1386 B6R0.3 CC(CN)C(=O)O S340803 [0,2,0,0,0,0|1,0,1]=4 1387 B6R0.3 CC(CO)C(=O)O R343446 [0,2,0,0,0,0|1,0,1]=4 1388 B6R0.3 CC(CS)C(=O)O M158216 [0,2,0,0,0,0|1,0,1]=4 1389 B6R0.3 CCC(=C)C(=O)O E477290 [0,2,0,0,0,0|0,0,2]=4 1390 B6R0.3 CCC(=O)C(=O)O K106253 [0,2,0,0,0,0|0,0,2]=4 1391 B6R0.3 CCC(=O)C(C)C M158840 [0,2,0,0,0,0|1,0,1]=4 1392 B6R0.3 CCC(C(=O)Br)Br B135808 [0,2,0,0,0,0|0,0,2]=4 1393 B6R0.3 CCC(C(=O)C)S M102973 [0,2,0,0,0,0|0,0,2]=4 1394 B6R0.3 CCC(C(=O)Cl)Br B192121 [0,2,0,0,0,0|0,0,2]=4 1395 B6R0.3 CCC(C(=O)Cl)Cl C139250 [0,2,0,0,0,0|0,0,2]=4 1396 B6R0.3 CCC(C(=O)N)Cl B301389 [0,2,0,0,0,0|0,0,2]=4 1397 B6R0.3 CCC(C(=O)N)N A119770 [0,2,0,0,0,0|0,0,2]=4 1398 B6R0.3 CCC(C(=O)N)N A124384 [0,2,0,0,0,0|0,0,2]=4 1399 B6R0.3 CCC(C(=O)O)Br B108037 [0,2,0,0,0,0|0,0,1]=3 1400 B6R0.3 CCC(C(=O)O)Cl C153465 [0,2,0,0,0,0|0,0,1]=3 1401 B6R0.3 CCC(C(=O)O)Cl S161173 [0,2,0,0,0,0|0,0,1]=3 1402 B6R0.3 CCC(C(=O)O)N A109788 [0,2,0,0,0,0|0,0,1]=3 1403 B6R0.3 CCC(C(=O)O)N A111241 [0,2,0,0,0,0|0,0,1]=3 1404 B6R0.3 CCC(C(=O)O)N A111260 [0,2,0,0,0,0|0,0,1]=3 1405 B6R0.3 CCC(C(=O)O)N A414642 [0,2,0,0,0,0|0,0,1]=3 1406 B6R0.3 CCC(C(=O)O)N D422924 [0,2,0,0,0,0|0,0,1]=3 1407 B6R0.3 CCC(C(=O)O)O D298806 [0,2,0,0,0,0|0,0,1]=3 1408 B6R0.3 CCC(C(=O)O)O S192800 [0,2,0,0,0,0|0,0,1]=3 1409 B6R0.3 CCC(C(=O)[O-])O H101414 [0,2,0,0,0,0|0,0,2]=4 1410 B6R0.3 CCC(C(C)C)O M304012 [0,2,0,0,0,0|1,0,0]=3 1411 B6R0.3 CCC(C)C(=O)C M158800 [0,2,0,0,0,0|0,0,2]=4 1412 B6R0.3 CCC(C)C(=O)O I167890 [0,2,0,0,0,0|0,0,1]=3 1413 B6R0.3 CCC(C)C(=O)O M107377 [0,2,0,0,0,0|0,0,1]=3 1414 B6R0.3 CCC(C)C(C)C D155235 [0,2,0,0,0,0|1,0,0]=3 1415 B6R0.3 CCC(C)C(C)C D465563 [0,2,0,0,0,0|1,0,0]=3 1416 B6R0.3 CN(C)C(=O)CO H587302 [0,2,0,0,0,0|1,0,1]=4 1417 B6R0.3 [13CH2]([C@@H]([13C](=O)O)[15NH2])O L471826 [0,2,0,0,0,0|1,0,1]=4 1418 B6R0.4 B(CCCC)(O)O B101013 [0,2,0,0,0,0|0,0,0]=2 1419 B6R0.4 C#CCCC(=O)O P133515 [0,2,0,0,0,0|0,0,2]=4 1420 B6R0.4 C(CC(=O)Cl)CBr B102197 [0,2,0,0,0,0|0,0,2]=4 1421 B6R0.4 C(CC(=O)Cl)CCl C109449 [0,2,0,0,0,0|0,0,2]=4 1422 B6R0.4 C(CC(=O)N)CCl C168978 [0,2,0,0,0,0|0,0,2]=4 1423 B6R0.4 C(CC(=O)O)C#N C191241 [0,2,0,0,0,0|0,0,2]=4 1424 B6R0.4 C(CC(=O)O)CBr B106907 [0,2,0,0,0,0|0,0,1]=3 1425 B6R0.4 C(CC(=O)O)CCl C134513 [0,2,0,0,0,0|0,0,1]=3 1426 B6R0.4 C(CC(=O)O)CN A104200 [0,2,0,0,0,0|0,0,1]=3 1427 B6R0.4 C(CC(=O)O)CN A293557 [0,2,0,0,0,0|0,0,1]=3 1428 B6R0.4 C(CC(=O)O)CN A424756 [0,2,0,0,0,0|0,0,1]=3 1429 B6R0.4 C(CC(=O)O)CN A468499 [0,2,0,0,0,0|0,0,1]=3 1430 B6R0.4 C(CC(=O)O)CN A472038 [0,2,0,0,0,0|0,0,1]=3 1431 B6R0.4 C(CC(=O)O)CN G276591 [0,2,0,0,0,0|0,0,1]=3 1432 B6R0.4 C(CN)C[P+](=O)O A275461 [0,2,0,0,0,0|1,0,0]=3 1433 B6R0.4 C(CO)NC(=O)N H136122 [0,2,0,0,0,0|1,0,1]=4 1434 B6R0.4 C(C[N+](=O)[O-])CO N164462 [0,2,0,0,0,0|1,0,0]=3 1435 B6R0.4 C=CCCC(=O)O P160582 [0,2,0,0,0,0|0,0,2]=4 1436 B6R0.4 CC(=CCCBr)C B470663 [0,2,0,0,0,0|1,0,1]=4 1437 B6R0.4 CC(=O)CCC=C H113634 [0,2,0,0,0,0|1,0,1]=4 1438 B6R0.4 CC(=O)CCCBr B345087 [0,2,0,0,0,0|1,0,0]=3 1439 B6R0.4 CC(=O)CCCCl C108070 [0,2,0,0,0,0|1,0,0]=3 1440 B6R0.4 CC(=O)CCSC M135087 [0,2,0,0,0,0|0,0,2]=4 1441 B6R0.4 CC(=O)NCCN A117219 [0,2,0,0,0,0|1,0,1]=4 1442 B6R0.4 CC(=O)NCCO A112970 [0,2,0,0,0,0|0,0,1]=3 1443 B6R0.4 CC(=O)NCCO A112971 [0,2,0,0,0,0|0,0,1]=3 1444 B6R0.4 CC(=O)NCCS N347842 [0,2,0,0,0,0|0,1,1]=4 1445 B6R0.4 CC(=O)OCCBr B102635 [0,2,0,0,0,0|1,0,1]=4 1446 B6R0.4 CC(=O)OCCCl A140396 [0,2,0,0,0,0|1,0,1]=4 1447 B6R0.4 CC(=O)OCCN A588049 [0,2,0,0,0,0|1,0,1]=4 1448 B6R0.4 CC(=O)OCCO H156959 [0,2,0,0,0,0|0,0,1]=3 1449 B6R0.4 CC(=O)SCCN T340735 [0,2,0,0,0,0|1,0,1]=4 1450 B6R0.4 CC(C)CCC#N I157667 [0,2,0,0,0,0|1,0,0]=3 1451 B6R0.4 CC(C)CCC=O M586390 [0,2,0,0,0,0|0,0,1]=3 1452 B6R0.4 CC(C)CCCBr B152440 [0,2,0,0,0,0|1,0,0]=3 1453 B6R0.4 CC(C)CCCO I136441 [0,2,0,0,0,0|0,0,0]=2 1454 B6R0.4 CC(C)CN=C=S I140612 [0,2,0,0,0,0|0,1,1]=4 1455 B6R0.4 CC(C)COC=C I109049 [0,2,0,0,0,0|1,0,1]=4 1456 B6R0.4 CC(C)COC=C I109050 [0,2,0,0,0,0|1,0,1]=4 1457 B6R0.4 CC(C)COC=O I141415 [0,2,0,0,0,0|0,0,2]=4 1458 B6R0.4 CC(C)COC=O I432878 [0,2,0,0,0,0|0,0,2]=4 1459 B6R0.4 CC(C)CON=O I157486 [0,2,0,0,0,0|1,0,1]=4 1460 B6R0.4 CC(C)NCC=C N339371 [0,2,0,0,0,0|1,0,1]=4 1461 B6R0.4 CC(C)NCCN N159348 [0,2,0,0,0,0|1,0,0]=3 1462 B6R0.4 CC(C)NCCO I157482 [0,2,0,0,0,0|0,0,0]=2 1463 B6R0.4 CC(C)NCCO I431393 [0,2,0,0,0,0|0,0,0]=2 1464 B6R0.4 CC(C)OCCO I106814 [0,2,0,0,0,0|0,0,0]=2 1465 B6R0.4 CC(CCCBr)Br D155307 [0,2,0,0,0,0|1,0,0]=3 1466 B6R0.4 CC(CCCO)O P171240 [0,2,0,0,0,0|0,0,0]=2 1467 B6R0.4 CC=CCC(=O)O P165142 [0,2,0,0,0,0|0,0,2]=4 1468 B6R0.4 CCC#CC(=O)O P137286 [0,2,0,0,0,0|0,0,2]=4 1469 B6R0.4 CCC=CC(=O)O T162309 [0,2,0,0,0,0|0,0,2]=4 1470 B6R0.4 CCCCC(=N)N D305243 [0,2,0,0,0,0|1,0,0]=3 1471 B6R0.4 CCCCC(=O)Br V162931 [0,2,0,0,0,0|0,0,1]=3 1472 B6R0.4 CCCCC(=O)C H105743 [0,2,0,0,0,0|0,0,1]=3 1473 B6R0.4 CCCCC(=O)C H105744 [0,2,0,0,0,0|0,0,1]=3 1474 B6R0.4 CCCCC(=O)C H111491 [0,2,0,0,0,0|0,0,1]=3 1475 B6R0.4 CCCCC(=O)C H141140 [0,2,0,0,0,0|0,0,1]=3 1476 B6R0.4 CCCCC(=O)Cl V107241 [0,2,0,0,0,0|0,0,1]=3 1477 B6R0.4 CCCCC(=O)N V162967 [0,2,0,0,0,0|0,0,1]=3 1478 B6R0.4 CCCCC(=O)O V108269 [0,2,0,0,0,0|0,0,0]=2 1479 B6R0.4 CCCCC(=O)O V108270 [0,2,0,0,0,0|0,0,0]=2 1480 B6R0.4 CCCCC(=O)O V108271 [0,2,0,0,0,0|0,0,0]=2 1481 B6R0.4 CCCCC(=O)O V108272 [0,2,0,0,0,0|0,0,0]=2 1482 B6R0.4 CCCCC(=O)O V302252 [0,2,0,0,0,0|0,0,0]=2 1483 B6R0.4 CCCCC(=O)[O-] S194180 [0,2,0,0,0,0|0,0,1]=3 1484 B6R0.4 CCCCC(C)C M158516 [0,2,0,0,0,0|1,0,0]=3 1485 B6R0.4 CCCCC(C)Cl C153661 [0,2,0,0,0,0|1,0,0]=3 1486 B6R0.4 CCCCC(C)N B301374 [0,2,0,0,0,0|1,0,0]=3 1487 B6R0.4 CCCCC(C)O H105565 [0,2,0,0,0,0|0,0,0]=2 1488 B6R0.4 CCCCC(C)O I170762 [0,2,0,0,0,0|0,0,0]=2 1489 B6R0.4 CCCCC(C)O R588494 [0,2,0,0,0,0|0,0,0]=2 1490 B6R0.4 CCCCN(C)C D108036 [0,2,0,0,0,0|1,0,0]=3 1491 B6R0.4 CCCC[N+](=O)[O-] N300420 [0,2,0,0,0,0|0,0,1]=3 1492 B6R0.4 CCCC[Sn](=O)O M107696 [0,2,0,0,0,0|0,0,0]=2 1493 B6R0.4 CCCNC(=O)N P589707 [0,2,0,0,0,0|0,0,2]=4 1494 B6R0.4 CCCNC(=S)N P356262 [0,2,0,0,0,0|0,1,1]=4 1495 B6R0.4 CCCOC(=O)C P103882 [0,2,0,0,0,0|0,0,2]=4 1496 B6R0.4 CCCOC(=O)C P103883 [0,2,0,0,0,0|0,0,2]=4 1497 B6R0.4 CCCOC(=O)N P194271 [0,2,0,0,0,0|0,0,2]=4 1498 B6R0.4 CCCSC(=O)C S161333 [0,2,0,0,0,0|0,0,2]=4 1499 B6R0.4 CCCSC(C)C I157608 [0,2,0,0,0,0|1,0,0]=3 1500 B6R0.4 CCNCC(=O)O N159193 [0,2,0,0,0,0|0,0,1]=3 1501 B6R0.4 CCOCC(=O)Cl E293992 [0,2,0,0,0,0|0,0,2]=4 1502 B6R0.4 CCOCC(=O)O E156174 [0,2,0,0,0,0|0,0,1]=3 1503 B6R0.4 CCOCC(C)O E110143 [0,2,0,0,0,0|0,0,0]=2 1504 B6R0.4 CCSCC(=O)O E300419 [0,2,0,0,0,0|0,0,1]=3 1505 B6R0.4 CN(C)CCC#N D135309 [0,2,0,0,0,0|1,0,1]=4 1506 B6R0.4 CN(C)CCCBr B194072 [0,2,0,0,0,0|1,0,0]=3 1507 B6R0.4 CN(C)CCCCl C353600 [0,2,0,0,0,0|1,0,0]=3 1508 B6R0.4 CN(C)CCCCl D154697 [0,2,0,0,0,0|1,0,0]=3 1509 B6R0.4 CN(C)CCCN D110909 [0,2,0,0,0,0|1,0,0]=3 1510 B6R0.4 CN(C)CCCN N493682 [0,2,0,0,0,0|1,0,0]=3 1511 B6R0.4 CN(C)CCCN N494190 [0,2,0,0,0,0|1,0,0]=3 1512 B6R0.4 CN(C)CCCO D106344 [0,2,0,0,0,0|0,0,0]=2 1513 B6R0.4 CNCCC(=O)O M183299 [0,2,0,0,0,0|0,0,1]=3 1514 B6R0.4 CNCCN(C)C N159374 [0,2,0,0,0,0|2,0,0]=4 1515 B6R0.4 CNCCN(C)C N192745 [0,2,0,0,0,0|2,0,0]=4 1516 B6R0.4 COCCC(=O)O M169065 [0,2,0,0,0,0|0,0,1]=3 1517 B6R0.4 CSCCC(=O)Cl M158416 [0,2,0,0,0,0|0,0,2]=4 1518 B6R0.4 CSCCC(=O)O M158072 [0,2,0,0,0,0|0,0,1]=3 1519 B6R0.5 C(CCl)C(Cl)(Cl)Cl T162278 [0,2,0,0,0,0|2,0,0]=4 1520 B6R0.5 C(CCl)C(F)(F)F C193494 [0,2,0,0,0,0|2,0,0]=4 1521 B6R0.5 C(CCl)P(=O)(O)O E113521 [0,2,0,0,0,0|2,0,0]=4 1522 B6R0.5 C(CI)C(F)(F)F T121977 [0,2,0,0,0,0|2,0,0]=4 1523 B6R0.5 C(CN)C(F)(F)F T176044 [0,2,0,0,0,0|2,0,0]=4 1524 B6R0.5 C(CO)C(F)(F)F T121584 [0,2,0,0,0,0|1,0,0]=3 1525 B6R0.5 C(CP(=O)(O)O)N A168405 [0,2,0,0,0,0|2,0,0]=4 1526 B6R0.5 C(CS(=O)(=O)O)N T103829 [0,2,0,0,0,0|2,0,0]=4 1527 B6R0.5 C(CS(=O)(=O)O)N T103831 [0,2,0,0,0,0|2,0,0]=4 1528 B6R0.5 C(CS(=O)(=O)O)N T420524 [0,2,0,0,0,0|2,0,0]=4 1529 B6R0.5 C(CS(=O)(=O)O)N T474176 [0,2,0,0,0,0|2,0,0]=4 1530 B6R0.5 C(CS(=O)(=O)O)O H113068 [0,2,0,0,0,0|2,0,0]=4 1531 B6R0.5 C(CS(=O)(=O)O)S S304898 [0,2,0,0,0,0|2,0,0]=4 1532 B6R0.5 C(CS(=O)(=O)[O-])O H105362 [0,2,0,0,0,0|2,0,0]=4 1533 B6R0.5 C(CS(=O)(=O)[O-])O I113069 [0,2,0,0,0,0|2,0,0]=4 1534 B6R0.5 CC(C)(C)CC=O D133103 [0,2,0,0,0,0|0,0,2]=4 1535 B6R0.5 CC(C)(C)CCBr B405387 [0,2,0,0,0,0|1,0,0]=3 1536 B6R0.5 CC(C)(C)CCN D468789 [0,2,0,0,0,0|1,0,0]=3 1537 B6R0.5 CC(C)(C)CCO D139098 [0,2,0,0,0,0|0,0,0]=2 1538 B6R0.5 CC(C)(CC#N)O H167089 [0,2,0,0,0,0|1,0,1]=4 1539 B6R0.5 CC(C)(CCN)O A483316 [0,2,0,0,0,0|1,0,0]=3 1540 B6R0.5 CC(C)(CCO)O M106425 [0,2,0,0,0,0|0,0,0]=2 1541 B6R0.5 CC(C)(CCO)S M138699 [0,2,0,0,0,0|0,0,0]=2 1542 B6R0.5 CC(C)(CSC)N M588894 [0,2,0,0,0,0|2,0,0]=4 1543 B6R0.5 CCCC(C)(C)C D106287 [0,2,0,0,0,0|1,0,0]=3 1544 B6R0.5 CCCS(=O)(=O)Cl P137934 [0,2,0,0,0,0|1,0,1]=4 1545 B6R0.5 CCCS(=O)(=O)O P477137 [0,2,0,0,0,0|1,0,0]=3 1546 B6R0.5 CCCS(=O)(=O)[O-] S120540 [0,2,0,0,0,0|1,0,1]=4 1547 B6R0.5 CCCS(=O)(=O)[O-] S161104 [0,2,0,0,0,0|1,0,1]=4 1548 B6R0.5 CCCS(=O)(=O)[O-] S432583 [0,2,0,0,0,0|1,0,1]=4 1549 B6R0.5 CCC[N+](C)(C)C T162053 [0,2,0,0,0,0|2,0,0]=4 1550 B6R0.5 CCC[Si](C)(C)Cl C153294 [0,2,0,0,0,0|1,1,0]=4 1551 B6R0.5 CCC[Si](C)(Cl)Cl D349601 [0,2,0,0,0,0|1,1,0]=4 1552 B6R0.5 CCC[Si](Cl)(Cl)Cl T118547 [0,2,0,0,0,0|1,1,0]=4 1553 B6R0.5 CCOC(C)(C)C B108911 [0,2,0,0,0,0|2,0,0]=4 1554 B6R0.5 CCOC(C)(C)C B108912 [0,2,0,0,0,0|2,0,0]=4 1555 B6R0.5 CS(=O)(=O)CCBr B587566 [0,2,0,0,0,0|2,0,0]=4 1556 B6R0.5 CS(=O)(=O)CCN A130035 [0,2,0,0,0,0|2,0,0]=4 1557 B6R0.5 CS(=O)(=O)CCN M589262 [0,2,0,0,0,0|2,0,0]=4 1558 B6R0.5 CS(=O)(=O)CCO H157188 [0,2,0,0,0,0|1,0,0]=3 1559 B6R0.5 C[N+](C)(C)CCBr B108989 [0,2,0,0,0,0|2,0,0]=4 1560 B6R0.5 C[N+](C)(C)CCCl C113520 [0,2,0,0,0,0|2,0,0]=4 1561 B6R0.5 C[N+](C)(C)CCCl C114434 [0,2,0,0,0,0|2,0,0]=4 1562 B6R0.5 C[N+](C)(C)CCCl C114435 [0,2,0,0,0,0|2,0,0]=4 1563 B6R0.5 C[N+](C)(C)CCN A339683 [0,2,0,0,0,0|2,0,0]=4 1564 B6R0.5 C[N+](C)(C)CCO C108896 [0,2,0,0,0,0|1,0,0]=3 1565 B6R0.5 C[N+](C)(C)CCO C108897 [0,2,0,0,0,0|1,0,0]=3 1566 B6R0.5 C[N+](C)(C)CCO C108898 [0,2,0,0,0,0|1,0,0]=3 1567 B6R0.5 C[N+](C)(C)CCO C153893 [0,2,0,0,0,0|1,0,0]=3 1568 B6R0.5 C[N+](C)(C)CCO C166651 [0,2,0,0,0,0|1,0,0]=3 1569 B6R0.5 C[N+](C)(C)CCO C333456 [0,2,0,0,0,0|1,0,0]=3 1570 B6R0.5 C[N+](C)(C)CCO C425396 [0,2,0,0,0,0|1,0,0]=3 1571 B6R0.5 C[N+](C)(C)CCO C471988 [0,2,0,0,0,0|1,0,0]=3 1572 B6R0.5 C[N+](C)(C)CCO C472029 [0,2,0,0,0,0|1,0,0]=3 1573 B6R0.5 C[Si](C)(C)CCBr B135566 [0,2,0,0,0,0|1,1,0]=4 1574 B6R0.5 C[Si](C)(C)CCO T111253 [0,2,0,0,0,0|0,1,0]=3 1575 B6R0.6 C#CCCCC#C H102744 [0,2,0,0,0,0|1,0,1]=4 1576 B6R0.6 C#CCCCC#N H468765 [0,2,0,0,0,0|1,0,1]=4 1577 B6R0.6 C#CCCCCCl C154119 [0,2,0,0,0,0|1,0,0]=3 1578 B6R0.6 C#CCCCCI I168988 [0,2,0,0,0,0|1,0,0]=3 1579 B6R0.6 C#CCCCCN H586162 [0,2,0,0,0,0|1,0,0]=3 1580 B6R0.6 C#CCCCCO H107735 [0,2,0,0,0,0|0,0,0]=2 1581 B6R0.6 C#CCOCCI I587547 [0,2,0,0,0,0|1,0,1]=4 1582 B6R0.6 C#CCOCCN P404874 [0,2,0,0,0,0|1,0,1]=4 1583 B6R0.6 C#CCOCCO P189135 [0,2,0,0,0,0|0,0,1]=3 1584 B6R0.6 C(CBr)NCCBr B184524 [0,2,0,0,0,0|1,0,0]=3 1585 B6R0.6 C(CBr)OCCBr B122644 [0,2,0,0,0,0|1,0,0]=3 1586 B6R0.6 C(CC#N)CC#N G156831 [0,2,0,0,0,0|1,0,1]=4 1587 B6R0.6 C(CC=O)CC=O G105905 [0,2,0,0,0,0|0,0,2]=4 1588 B6R0.6 C(CC=O)CC=O G105906 [0,2,0,0,0,0|0,0,2]=4 1589 B6R0.6 C(CC=O)CC=O G105907 [0,2,0,0,0,0|0,0,2]=4 1590 B6R0.6 C(CC=O)CC=O G105908 [0,2,0,0,0,0|0,0,2]=4 1591 B6R0.6 C(CC=O)CC=O G359127 [0,2,0,0,0,0|0,0,2]=4 1592 B6R0.6 C(CC=O)CC=O G598815 [0,2,0,0,0,0|0,0,2]=4 1593 B6R0.6 C(CC=O)CC=O G639768 [0,2,0,0,0,0|0,0,2]=4 1594 B6R0.6 C(CCBr)CC#N B124218 [0,2,0,0,0,0|1,0,0]=3 1595 B6R0.6 C(CCBr)CCBr D106538 [0,2,0,0,0,0|1,0,0]=3 1596 B6R0.6 C(CCCl)CC#N C153827 [0,2,0,0,0,0|1,0,0]=3 1597 B6R0.6 C(CCCl)CCBr B109691 [0,2,0,0,0,0|1,0,0]=3 1598 B6R0.6 C(CCCl)CCCl D105687 [0,2,0,0,0,0|1,0,0]=3 1599 B6R0.6 C(CCF)CCBr B303673 [0,2,0,0,0,0|1,0,0]=3 1600 B6R0.6 C(CCI)CCI D155300 [0,2,0,0,0,0|1,0,0]=3 1601 B6R0.6 C(CCN)CCN D111805 [0,2,0,0,0,0|1,0,0]=3 1602 B6R0.6 C(CCN)CCN D121817 [0,2,0,0,0,0|1,0,0]=3 1603 B6R0.6 C(CCN)CCN D283638 [0,2,0,0,0,0|1,0,0]=3 1604 B6R0.6 C(CCN)CCN D421724 [0,2,0,0,0,0|1,0,0]=3 1605 B6R0.6 C(CCN)CCO A107210 [0,2,0,0,0,0|0,0,0]=2 1606 B6R0.6 C(CCN)CCO A565375 [0,2,0,0,0,0|0,0,0]=2 1607 B6R0.6 C(CCO)CCBr B135090 [0,2,0,0,0,0|0,0,0]=2 1608 B6R0.6 C(CCO)CCCl C153897 [0,2,0,0,0,0|0,0,0]=2 1609 B6R0.6 C(CCO)CCO P105588 [0,2,0,0,0,0|0,0,0]=2 1610 B6R0.6 C(CCS)CCS P102332 [0,2,0,0,0,0|0,1,0]=3 1611 B6R0.6 C(CCl)NCCCl B109734 [0,2,0,0,0,0|1,0,0]=3 1612 B6R0.6 C(CCl)OCCCl C107457 [0,2,0,0,0,0|1,0,0]=3 1613 B6R0.6 C(CN)CN=[N+]=[N-] A151380 [0,2,0,0,0,0|2,0,0]=4 1614 B6R0.6 C(CN=C=O)CCl C107897 [0,2,0,0,0,0|0,0,2]=4 1615 B6R0.6 C(CN=[N+]=[N-])CO A464136 [0,2,0,0,0,0|1,0,0]=3 1616 B6R0.6 C(CNCCN)N D100056 [0,2,0,0,0,0|1,0,0]=3 1617 B6R0.6 C(CNCCN)N D100058 [0,2,0,0,0,0|1,0,0]=3 1618 B6R0.6 C(CNCCN)N D100059 [0,2,0,0,0,0|1,0,0]=3 1619 B6R0.6 C(CNCCN)N D301794 [0,2,0,0,0,0|1,0,0]=3 1620 B6R0.6 C(CNCCO)N H100512 [0,2,0,0,0,0|0,0,0]=2 1621 B6R0.6 C(CNCCO)N H100513 [0,2,0,0,0,0|0,0,0]=2 1622 B6R0.6 C(CO)NCCCl C588449 [0,2,0,0,0,0|0,0,0]=2 1623 B6R0.6 C(CO)NCCO D112357 [0,2,0,0,0,0|0,0,0]=2 1624 B6R0.6 C(CO)NCCO D112358 [0,2,0,0,0,0|0,0,0]=2 1625 B6R0.6 C(CO)NCCO D112360 [0,2,0,0,0,0|0,0,0]=2 1626 B6R0.6 C(CO)NCCO D112361 [0,2,0,0,0,0|0,0,0]=2 1627 B6R0.6 C(CO)NCCO D155708 [0,2,0,0,0,0|0,0,0]=2 1628 B6R0.6 C(CO)NCCO D301793 [0,2,0,0,0,0|0,0,0]=2 1629 B6R0.6 C(COCCBr)O B339979 [0,2,0,0,0,0|0,0,0]=2 1630 B6R0.6 C(COCCCl)O C118686 [0,2,0,0,0,0|0,0,0]=2 1631 B6R0.6 C(COCCI)O I586943 [0,2,0,0,0,0|0,0,0]=2 1632 B6R0.6 C(COCCN)N O159975 [0,2,0,0,0,0|1,0,0]=3 1633 B6R0.6 C(COCCN)N O160013 [0,2,0,0,0,0|1,0,0]=3 1634 B6R0.6 C(COCCO)N A109910 [0,2,0,0,0,0|0,0,0]=2 1635 B6R0.6 C(COCCO)N A301832 [0,2,0,0,0,0|0,0,0]=2 1636 B6R0.6 C(COCCO)O D110831 [0,2,0,0,0,0|0,0,0]=2 1637 B6R0.6 C(COCCO)O D110832 [0,2,0,0,0,0|0,0,0]=2 1638 B6R0.6 C(COCCO)O D110833 [0,2,0,0,0,0|0,0,0]=2 1639 B6R0.6 C(COCCO)O D110834 [0,2,0,0,0,0|0,0,0]=2 1640 B6R0.6 C(COCCO)O D476199 [0,2,0,0,0,0|0,0,0]=2 1641 B6R0.6 C(CON)CON O340897 [0,2,0,0,0,0|1,0,0]=3 1642 B6R0.6 C(CS)OCCS B152747 [0,2,0,0,0,0|0,1,0]=3 1643 B6R0.6 C(CSCCS)S B152744 [0,2,0,0,0,0|0,1,0]=3 1644 B6R0.6 C=CCCCC#N H157042 [0,2,0,0,0,0|1,0,1]=4 1645 B6R0.6 C=CCCCC=C H157269 [0,2,0,0,0,0|1,0,1]=4 1646 B6R0.6 C=CCCCCBr B122541 [0,2,0,0,0,0|1,0,0]=3 1647 B6R0.6 C=CCCCCCl C115790 [0,2,0,0,0,0|1,0,0]=3 1648 B6R0.6 C=CCCCCO H113637 [0,2,0,0,0,0|0,0,0]=2 1649 B6R0.6 C=CCOCCO A303300 [0,2,0,0,0,0|0,0,1]=3 1650 B6R0.6 C=CCOCCO A303301 [0,2,0,0,0,0|0,0,1]=3 1651 B6R0.6 C=CCOCCO E156080 [0,2,0,0,0,0|0,0,1]=3 1652 B6R0.6 CC=CC=CCO I167855 [0,2,0,0,0,0|0,0,2]=4 1653 B6R0.6 CC=CC=CCO T470463 [0,2,0,0,0,0|0,0,2]=4 1654 B6R0.6 CC=CCCCO H300983 [0,2,0,0,0,0|0,0,0]=2 1655 B6R0.6 CCC#CCCO H157360 [0,2,0,0,0,0|0,0,0]=2 1656 B6R0.6 CCC=CCCO C426965 [0,2,0,0,0,0|0,0,0]=2 1657 B6R0.6 CCC=CCCO H112690 [0,2,0,0,0,0|0,0,0]=2 1658 B6R0.6 CCC=CCCO L106205 [0,2,0,0,0,0|0,0,0]=2 1659 B6R0.6 CCCC#CCO H157375 [0,2,0,0,0,0|0,0,0]=2 1660 B6R0.6 CCCC=CC=O H107633 [0,2,0,0,0,0|0,0,2]=4 1661 B6R0.6 CCCC=CC=O T425385 [0,2,0,0,0,0|0,0,2]=4 1662 B6R0.6 CCCC=CCO C153482 [0,2,0,0,0,0|0,0,0]=2 1663 B6R0.6 CCCC=CCO H102077 [0,2,0,0,0,0|0,0,0]=2 1664 B6R0.6 CCCCCC#C H100842 [0,2,0,0,0,0|1,0,0]=3 1665 B6R0.6 CCCCCC#N H157040 [0,2,0,0,0,0|1,0,0]=3 1666 B6R0.6 CCCCCC=C H110653 [0,2,0,0,0,0|1,0,0]=3 1667 B6R0.6 CCCCCC=C H110654 [0,2,0,0,0,0|1,0,0]=3 1668 B6R0.6 CCCCCC=C H110655 [0,2,0,0,0,0|1,0,0]=3 1669 B6R0.6 CCCCCC=O C109199 [0,2,0,0,0,0|0,0,1]=3 1670 B6R0.6 CCCCCC=O C109200 [0,2,0,0,0,0|0,0,1]=3 1671 B6R0.6 CCCCCCBr B105244 [0,2,0,0,0,0|1,0,0]=3 1672 B6R0.6 CCCCCCBr B471923 [0,2,0,0,0,0|1,0,0]=3 1673 B6R0.6 CCCCCCC H108102 [0,2,0,0,0,0|1,0,0]=3 1674 B6R0.6 CCCCCCC H108103 [0,2,0,0,0,0|1,0,0]=3 1675 B6R0.6 CCCCCCC H108105 [0,2,0,0,0,0|1,0,0]=3 1676 B6R0.6 CCCCCCC H108108 [0,2,0,0,0,0|1,0,0]=3 1677 B6R0.6 CCCCCCC H108111 [0,2,0,0,0,0|1,0,0]=3 1678 B6R0.6 CCCCCCC H108112 [0,2,0,0,0,0|1,0,0]=3 1679 B6R0.6 CCCCCCC H118382 [0,2,0,0,0,0|1,0,0]=3 1680 B6R0.6 CCCCCCC H119701 [0,2,0,0,0,0|1,0,0]=3 1681 B6R0.6 CCCCCCCl C109280 [0,2,0,0,0,0|1,0,0]=3 1682 B6R0.6 CCCCCCCl C109281 [0,2,0,0,0,0|1,0,0]=3 1683 B6R0.6 CCCCCCI I157578 [0,2,0,0,0,0|1,0,0]=3 1684 B6R0.6 CCCCCCN H105333 [0,2,0,0,0,0|1,0,0]=3 1685 B6R0.6 CCCCCCN H157035 [0,2,0,0,0,0|1,0,0]=3 1686 B6R0.6 CCCCCCN H292813 [0,2,0,0,0,0|1,0,0]=3 1687 B6R0.6 CCCCCCN H491868 [0,2,0,0,0,0|1,0,0]=3 1688 B6R0.6 CCCCCCO H103420 [0,2,0,0,0,0|0,0,0]=2 1689 B6R0.6 CCCCCCO H103421 [0,2,0,0,0,0|0,0,0]=2 1690 B6R0.6 CCCCCCO H103422 [0,2,0,0,0,0|0,0,0]=2 1691 B6R0.6 CCCCCCO H103423 [0,2,0,0,0,0|0,0,0]=2 1692 B6R0.6 CCCCCCO H119678 [0,2,0,0,0,0|0,0,0]=2 1693 B6R0.6 CCCCCCS H100786 [0,2,0,0,0,0|0,1,0]=3 1694 B6R0.6 CCCCCCS H299109 [0,2,0,0,0,0|0,1,0]=3 1695 B6R0.6 CCCCCC[NH3+] H292817 [0,2,0,0,0,0|1,0,0]=3 1696 B6R0.6 CCCCCC[NH3+] H492547 [0,2,0,0,0,0|1,0,0]=3 1697 B6R0.6 CCCCCC[Si] H357381 [0,2,0,0,0,0|1,0,0]=3 1698 B6R0.6 CCCCCNC M124210 [0,2,0,0,0,0|1,0,0]=3 1699 B6R0.6 CCCCCSC A151354 [0,2,0,0,0,0|0,1,0]=3 1700 B6R0.6 CCCCN=C=S B111865 [0,2,0,0,0,0|0,1,0]=3 1701 B6R0.6 CCCCNCC N158928 [0,2,0,0,0,0|1,0,0]=3 1702 B6R0.6 CCCCOC=C B123186 [0,2,0,0,0,0|0,0,0]=2 1703 B6R0.6 CCCCOC=C B123187 [0,2,0,0,0,0|0,0,0]=2 1704 B6R0.6 CCCCOC=O B109260 [0,2,0,0,0,0|0,0,0]=2 1705 B6R0.6 CCCCOC=O B109261 [0,2,0,0,0,0|0,0,0]=2 1706 B6R0.6 CCCCON=O B134686 [0,2,0,0,0,0|0,0,0]=2 1707 B6R0.6 CCCCSCC B152507 [0,2,0,0,0,0|0,1,0]=3 1708 B6R0.6 CCCNCCC D100329 [0,2,0,0,0,0|1,0,0]=3 1709 B6R0.6 CCCNCCC D100330 [0,2,0,0,0,0|1,0,0]=3 1710 B6R0.6 CCCNCCC D154684 [0,2,0,0,0,0|1,0,0]=3 1711 B6R0.6 CCCNCCC D404364 [0,2,0,0,0,0|1,0,0]=3 1712 B6R0.6 CCCNCCN N336391 [0,2,0,0,0,0|1,0,0]=3 1713 B6R0.6 CCCOCCC P160596 [0,2,0,0,0,0|1,0,0]=3 1714 B6R0.6 CCCOCCCl C137234 [0,2,0,0,0,0|1,0,0]=3 1715 B6R0.6 CCCOCCN P160362 [0,2,0,0,0,0|1,0,0]=3 1716 B6R0.6 CCCOCCO P107659 [0,2,0,0,0,0|0,0,0]=2 1717 B6R0.6 CCCOCCO P299319 [0,2,0,0,0,0|0,0,0]=2 1718 B6R0.6 CCCSCC=C A135608 [0,2,0,0,0,0|1,0,0]=3 1719 B6R0.6 CCCSCCC D102909 [0,2,0,0,0,0|1,0,0]=3 1720 B6R0.6 CCNCCCO E300231 [0,2,0,0,0,0|0,0,0]=2 1721 B6R0.6 CCOCCC#N E132079 [0,2,0,0,0,0|1,0,0]=3 1722 B6R0.6 CCOCCCN E156297 [0,2,0,0,0,0|1,0,0]=3 1723 B6R0.6 CCOCCCO E108059 [0,2,0,0,0,0|0,0,0]=2 1724 B6R0.6 CCOCCOC E331012 [0,2,0,0,0,0|0,0,0]=2 1725 B6R0.6 CCOCOCC D109106 [0,2,0,0,0,0|1,0,0]=3 1726 B6R0.6 CCOCOCC D139939 [0,2,0,0,0,0|1,0,0]=3 1727 B6R0.6 CCO[Sn]OCC T282972 [0,2,0,0,0,0|2,0,0]=4 1728 B6R0.6 CCSCCCO E300079 [0,2,0,0,0,0|0,0,0]=2 1729 B6R0.6 CCSSSCC D405733 [0,2,0,0,0,0|2,0,0]=4 1730 B6R0.6 CNCCCCO M193351 [0,2,0,0,0,0|0,0,0]=2 1731 B6R0.6 CNCCCNC D124206 [0,2,0,0,0,0|1,0,0]=3 1732 B6R0.6 COCCCCBr B152834 [0,2,0,0,0,0|0,0,0]=2 1733 B6R0.6 COCCCCO B152046 [0,2,0,0,0,0|0,0,0]=2 1734 B6R0.6 COCCN=C=S M300207 [0,2,0,0,0,0|0,1,1]=4 1735 B6R0.6 COCCOCCl M113466 [0,2,0,0,0,0|1,0,0]=3 1736 B6R0.6 COCOCCBr B165961 [0,2,0,0,0,0|1,0,0]=3 1737 B6R0.6 CSCCCCO M468928 [0,2,0,0,0,0|0,0,0]=2 1738 B6R0.8 C(C(CCl)(Cl)Cl)Cl T162281 [0,2,0,0,0,0|2,0,0]=4 1739 B6R0.8 C(C(CO)(F)F)N A587411 [0,2,0,0,0,0|1,0,0]=3 1740 B6R0.8 C(C(CO)(F)F)O D184503 [0,2,0,0,0,0|1,0,0]=3 1741 B6R0.8 CC(C)(CCl)CCl D155310 [0,2,0,0,0,0|2,0,0]=4 1742 B6R0.8 CC(C)(CN)CN D155089 [0,2,0,0,0,0|2,0,0]=4 1743 B6R0.8 CC(C)(CO)C=O H304097 [0,2,0,0,0,0|1,0,1]=4 1744 B6R0.8 CC(C)(CO)CBr B301654 [0,2,0,0,0,0|1,0,0]=3 1745 B6R0.8 CC(C)(CO)CCl C113524 [0,2,0,0,0,0|1,0,0]=3 1746 B6R0.8 CC(C)(CO)CO N103689 [0,2,0,0,0,0|1,0,0]=3 1747 B6R0.8 CC(C)(CO)CO N306016 [0,2,0,0,0,0|1,0,0]=3 1748 B6R0.8 CC(C)(CO)NC M192487 [0,2,0,0,0,0|1,0,0]=3 1749 B6R0.8 CC(C)(CO)OC M588252 [0,2,0,0,0,0|1,0,0]=3 1750 B6R0.8 CC(CO)(CO)N A106026 [0,2,0,0,0,0|1,0,0]=3 1751 B6R0.8 CCC(C)(C#C)N M165842 [0,2,0,0,0,0|1,0,1]=4 1752 B6R0.8 CCC(C)(C#C)O M106691 [0,2,0,0,0,0|1,0,1]=4 1753 B6R0.8 CCC(C)(C)OC T105930 [0,2,0,0,0,0|2,0,0]=4 1754 B6R0.8 CCC(C)(C)OC T105931 [0,2,0,0,0,0|2,0,0]=4 1755 B6R0.8 CCC(C)(C)OC T485859 [0,2,0,0,0,0|2,0,0]=4 1756 B6R0.8 CCC(C)(CC)Cl C334524 [0,2,0,0,0,0|1,0,0]=3 1757 B6R0.8 CCC(C)(CC)O M102200 [0,2,0,0,0,0|1,0,0]=3 1758 B6R0.8 CCP(=O)(CC)O D590241 [0,2,0,0,0,0|2,0,0]=4 1759 B6R0.8 CCP(=O)(CC)[O-] A303123 [0,2,0,0,0,0|2,0,0]=4 1760 B6R0.8 CCS(=O)(=O)CC D304098 [0,2,0,0,0,0|2,0,0]=4 1761 B6R0.8 CC[N+](C)(C)CC D140684 [0,2,0,0,0,0|2,0,0]=4 1762 B6R0.8 CC[Si](CC)(Cl)Cl D154925 [0,2,0,0,0,0|1,1,0]=4 1763 B6R0.9 B(CC)(CC)CC T106572 [0,2,0,0,0,0|2,0,0]=4 1764 B6R0.9 C(C(=NO)CO)O D154972 [0,2,0,0,0,0|1,0,1]=4 1765 B6R0.9 C(C(CO)CO)O H170489 [0,2,0,0,0,0|1,0,0]=3 1766 B6R0.9 CCC(=CC)CC E156180 [0,2,0,0,0,0|1,0,1]=4 1767 B6R0.9 CCC(CC)C=O E156502 [0,2,0,0,0,0|1,0,0]=3 1768 B6R0.9 CCC(CC)CBr B152449 [0,2,0,0,0,0|1,0,0]=3 1769 B6R0.9 CCC(CC)CC E156241 [0,2,0,0,0,0|1,0,0]=3 1770 B6R0.9 CCC(CC)CCl C467301 [0,2,0,0,0,0|1,0,0]=3 1771 B6R0.9 CCC(CC)CO E109374 [0,2,0,0,0,0|0,0,0]=2 1772 B6R0.9 CCC(CO)OC M158746 [0,2,0,0,0,0|0,0,0]=2 1773 B6R0.9 CCC(OC)OC P160797 [0,2,0,0,0,0|2,0,0]=4 1774 B6R0.9 CCN(CC)C#N D154665 [0,2,0,0,0,0|2,0,0]=4 1775 B6R0.9 CCN(CC)C=O D102964 [0,2,0,0,0,0|2,0,0]=4 1776 B6R0.9 CCN(CC)CC F302957 [0,2,0,0,0,0|2,0,0]=4 1777 B6R0.9 CCN(CC)CC S161206 [0,2,0,0,0,0|2,0,0]=4 1778 B6R0.9 CCN(CC)CC T103284 [0,2,0,0,0,0|2,0,0]=4 1779 B6R0.9 CCN(CC)CC T103285 [0,2,0,0,0,0|2,0,0]=4 1780 B6R0.9 CCN(CC)CC T103287 [0,2,0,0,0,0|2,0,0]=4 1781 B6R0.9 CCN(CC)CC T103288 [0,2,0,0,0,0|2,0,0]=4 1782 B6R0.9 CCN(CC)CC T103289 [0,2,0,0,0,0|2,0,0]=4 1783 B6R0.9 CCN(CC)CC T103290 [0,2,0,0,0,0|2,0,0]=4 1784 B6R0.9 CCN(CC)CC T107263 [0,2,0,0,0,0|2,0,0]=4 1785 B6R0.9 CCN(CC)CC T108431 [0,2,0,0,0,0|2,0,0]=4 1786 B6R0.9 CCN(CC)CC T108432 [0,2,0,0,0,0|2,0,0]=4 1787 B6R0.9 CCN(CC)CC T140677 [0,2,0,0,0,0|2,0,0]=4 1788 B6R0.9 CCN(CC)CC T162216 [0,2,0,0,0,0|2,0,0]=4 1789 B6R0.9 CCN(CC)CC T189177 [0,2,0,0,0,0|2,0,0]=4 1790 B6R0.9 CCN(CC)CC T331003 [0,2,0,0,0,0|2,0,0]=4 1791 B6R0.9 CCN(CC)CC T345138 [0,2,0,0,0,0|2,0,0]=4 1792 B6R0.9 CCN(CC)CC T345383 [0,2,0,0,0,0|2,0,0]=4 1793 B6R0.9 CCN(CC)CC T431604 [0,2,0,0,0,0|2,0,0]=4 1794 B6R0.9 CCN(CC)CC T466164 [0,2,0,0,0,0|2,0,0]=4 1795 B6R0.9 CCN(CC)N=O N109570 [0,2,0,0,0,0|2,0,0]=4 1796 B6R0.9 CCN(CC)N=O N109571 [0,2,0,0,0,0|2,0,0]=4 1797 B6R0.9 CCN(CC)N=O N358096 [0,2,0,0,0,0|2,0,0]=4 1798 B6R0.9 CCN(CC)N=O N424700 [0,2,0,0,0,0|2,0,0]=4 1799 B6R0.9 CCP(CC)CC B300038 [0,2,0,0,0,0|2,0,0]=4 1800 B6R0.9 CCP(CC)CC C138296 [0,2,0,0,0,0|2,0,0]=4 1801 B6R0.9 CCP(CC)CC D129150 [0,2,0,0,0,0|2,0,0]=4 1802 B6R0.9 CCP(CC)CC T120625 [0,2,0,0,0,0|2,0,0]=4 1803 B6R0.9 CC[Al](CC)C#N D466157 [0,2,0,0,0,0|2,0,0]=4 1804 B6R0.9 CC[Al](CC)CC T434622 [0,2,0,0,0,0|2,0,0]=4 1805 B6R0.9 CC[O+](CC)CC T109785 [0,2,0,0,0,0|2,0,0]=4 1806 B6R0.9 CC[O+](CC)CC T168010 [0,2,0,0,0,0|2,0,0]=4 1807 B6R0.9 CC[Si](CC)CC T106570 [0,2,0,0,0,0|1,1,0]=4 1808 B6R0.9 COC(CBr)OC B100820 [0,2,0,0,0,0|2,0,0]=4 1809 B6R0.9 COC(CCl)OC C106494 [0,2,0,0,0,0|2,0,0]=4 1810 B6R0.9 COC(CN)OC A107137 [0,2,0,0,0,0|2,0,0]=4 1811 B6R0.9 COC(CO)OC G136545 [0,2,0,0,0,0|1,0,0]=3 1812 B4R1.1 C1CNC1 A103569 [1,0,0,1,0,0|1,0,0]=3 1813 B4R1.1 C1CNC1 A123981 [1,0,0,1,0,0|1,0,0]=3 1814 B4R1.1 C1COC1 T162173 [1,0,0,1,0,0|0,0,0]=2 1815 B4R1.1 C1CSC1 T162103 [1,0,0,1,0,0|0,1,0]=3 1816 B4R1.2 C1CC1Br B107476 [1,0,0,1,0,0|1,0,0]=3 1817 B4R1.2 C1CC1Br B107477 [1,0,0,1,0,0|1,0,0]=3 1818 B4R1.2 C1CC1N C108049 [1,0,0,1,0,0|1,0,0]=3 1819 B4R1.2 C1CC1O C174869 [1,0,0,1,0,0|0,0,0]=2 1820 B4R1.2 CC1=CC1 M303407 [1,0,0,1,0,0|0,0,2]=4 1821 B4R1.2 CC1CO1 K434430 [1,0,0,1,0,0|0,0,0]=2 1822 B4R1.2 CC1CO1 P131340 [1,0,0,1,0,0|0,0,0]=2 1823 B4R1.2 CC1CO1 P131342 [1,0,0,1,0,0|0,0,0]=2 1824 B4R1.2 CC1CO1 P131343 [1,0,0,1,0,0|0,0,0]=2 1825 B4R1.2 CC1CO1 P131344 [1,0,0,1,0,0|0,0,0]=2 1826 B4R1.2 CC1CO1 P131345 [1,0,0,1,0,0|0,0,0]=2 1827 B4R1.2 CC1CO1 P131346 [1,0,0,1,0,0|0,0,0]=2 1828 B4R1.2 CC1CO1 P131347 [1,0,0,1,0,0|0,0,0]=2 1829 B4R1.2 CC1CO1 P140818 [1,0,0,1,0,0|0,0,0]=2 1830 B4R1.2 CC1CO1 P303235 [1,0,0,1,0,0|0,0,0]=2 1831 B4R1.2 CC1CO1 P434419 [1,0,0,1,0,0|0,0,0]=2 1832 B4R1.2 CC1CO1 P434421 [1,0,0,1,0,0|0,0,0]=2 1833 B4R1.2 CC1CO1 P434425 [1,0,0,1,0,0|0,0,0]=2 1834 B4R1.2 CC1CO1 P434427 [1,0,0,1,0,0|0,0,0]=2 1835 B4R1.2 CC1CO1 S434420 [1,0,0,1,0,0|0,0,0]=2 1836 B4R1.2 CC1CS1 P160374 [1,0,0,1,0,0|0,1,0]=3 1837 B6R1.2 C1C=CCC1O C141167 [0,1,0,1,0,0|0,0,1]=3 1838 B6R1.2 C1CC(=N)SC1 I106793 [0,1,0,1,0,0|0,1,1]=4 1839 B6R1.2 C1CC(=N)SC1 I492458 [0,1,0,1,0,0|0,1,1]=4 1840 B6R1.2 C1CC(=NC1)N A151483 [0,1,0,1,0,0|1,0,1]=4 1841 B6R1.2 C1CC(=O)NC1 P112692 [0,1,0,1,0,0|0,0,2]=4 1842 B6R1.2 C1CC(=O)NC1 P468968 [0,1,0,1,0,0|0,0,2]=4 1843 B6R1.2 C1CC(=O)SC1 T472178 [0,1,0,1,0,0|0,0,2]=4 1844 B6R1.2 C1CC(OC1)O H355199 [0,1,0,1,0,0|0,0,0]=2 1845 B6R1.2 C1CCC(=O)C1 C108566 [0,1,0,1,0,0|0,0,1]=3 1846 B6R1.2 C1CCC(=O)C1 C108567 [0,1,0,1,0,0|0,0,1]=3 1847 B6R1.2 C1CCC(=O)C1 C108568 [0,1,0,1,0,0|0,0,1]=3 1848 B6R1.2 C1CCC(=O)C1 C108569 [0,1,0,1,0,0|0,0,1]=3 1849 B6R1.2 C1CCC(C1)Br C105791 [0,1,0,1,0,0|1,0,0]=3 1850 B6R1.2 C1CCC(C1)Cl C153546 [0,1,0,1,0,0|1,0,0]=3 1851 B6R1.2 C1CCC(C1)F F156721 [0,1,0,1,0,0|1,0,0]=3 1852 B6R1.2 C1CCC(C1)I I167554 [0,1,0,1,0,0|1,0,0]=3 1853 B6R1.2 C1CCC(C1)N C111427 [0,1,0,1,0,0|1,0,0]=3 1854 B6R1.2 C1CCC(C1)O C110398 [0,1,0,1,0,0|0,0,0]=2 1855 B6R1.2 C1CCC(C1)S C106982 [0,1,0,1,0,0|0,1,0]=3 1856 B6R1.2 C1CCS(=O)C1 T162808 [0,1,0,1,0,0|0,0,1]=3 1857 B6R1.2 C1CNCC1=O P176320 [0,1,0,1,0,0|0,0,2]=4 1858 B6R1.2 C1CNCC1Br B166798 [0,1,0,1,0,0|1,0,0]=3 1859 B6R1.2 C1CNCC1F I167099 [0,1,0,1,0,0|1,0,0]=3 1860 B6R1.2 C1CNCC1F I167100 [0,1,0,1,0,0|1,0,0]=3 1861 B6R1.2 C1CNCC1N A128215 [0,1,0,1,0,0|1,0,0]=3 1862 B6R1.2 C1CNCC1N R115472 [0,1,0,1,0,0|1,0,0]=3 1863 B6R1.2 C1CNCC1N S115473 [0,1,0,1,0,0|1,0,0]=3 1864 B6R1.2 C1CNCC1O H115463 [0,1,0,1,0,0|0,0,0]=2 1865 B6R1.2 C1CNCC1O H187203 [0,1,0,1,0,0|0,0,0]=2 1866 B6R1.2 C1CNCC1O P121669 [0,1,0,1,0,0|0,0,0]=2 1867 B6R1.2 C1CNCC1O P128587 [0,1,0,1,0,0|0,0,0]=2 1868 B6R1.2 C1CNCC1O S115471 [0,1,0,1,0,0|0,0,0]=2 1869 B6R1.2 C1CNCC1O S161346 [0,1,0,1,0,0|0,0,0]=2 1870 B6R1.2 C1COC(=O)N1 O133460 [0,1,0,1,0,0|1,0,1]=4 1871 B6R1.2 C1COC(=O)O1 E105727 [0,1,0,1,0,0|1,0,1]=4 1872 B6R1.2 C1COC(=O)O1 E105728 [0,1,0,1,0,0|1,0,1]=4 1873 B6R1.2 C1COC(=S)N1 B301323 [0,1,0,1,0,0|1,0,1]=4 1874 B6R1.2 C1COCC1=O T161567 [0,1,0,1,0,0|0,0,1]=3 1875 B6R1.2 C1COCC1Br B175379 [0,1,0,1,0,0|0,0,0]=2 1876 B6R1.2 C1COCC1I I172597 [0,1,0,1,0,0|0,0,0]=2 1877 B6R1.2 C1COCC1N A120073 [0,1,0,1,0,0|0,0,0]=2 1878 B6R1.2 C1COCC1N I165729 [0,1,0,1,0,0|0,0,0]=2 1879 B6R1.2 C1COCC1N S135580 [0,1,0,1,0,0|0,0,0]=2 1880 B6R1.2 C1COCC1N T123495 [0,1,0,1,0,0|0,0,0]=2 1881 B6R1.2 C1COCC1O H107942 [0,1,0,1,0,0|0,0,0]=2 1882 B6R1.2 C1COCC1O H110275 [0,1,0,1,0,0|0,0,0]=2 1883 B6R1.2 C1COCC1O H119958 [0,1,0,1,0,0|0,0,0]=2 1884 B6R1.2 C1COP(O1)Cl C154014 [0,1,0,1,0,0|2,0,0]=4 1885 B6R1.2 C1COS(=O)O1 G120334 [0,1,0,1,0,0|2,0,0]=4 1886 B6R1.2 C1CSCC1=O D106839 [0,1,0,1,0,0|0,0,2]=4 1887 B6R1.2 C=C1CCCC1 M158228 [0,1,0,1,0,0|1,0,0]=3 1888 B6R1.2 CC1=CCCC1 M158230 [0,1,0,1,0,0|1,0,0]=3 1889 B6R1.2 CC1=NCCC1 M187405 [0,1,0,1,0,0|1,0,0]=3 1890 B6R1.2 CC1=NCCN1 M158525 [0,1,0,1,0,0|1,0,1]=4 1891 B6R1.2 CC1=NCCO1 M158497 [0,1,0,1,0,0|0,0,1]=3 1892 B6R1.2 CC1=NCCS1 M103076 [0,1,0,1,0,0|0,1,1]=4 1893 B6R1.2 CC1CCCC1 M101586 [0,1,0,1,0,0|1,0,0]=3 1894 B6R1.2 CC1CCCC1 M101587 [0,1,0,1,0,0|1,0,0]=3 1895 B6R1.2 CC1CCCC1 M101588 [0,1,0,1,0,0|1,0,0]=3 1896 B6R1.2 CC1CCCN1 M121645 [0,1,0,1,0,0|1,0,0]=3 1897 B6R1.2 CC1CCCN1 M341863 [0,1,0,1,0,0|1,0,0]=3 1898 B6R1.2 CC1CCCN1 R173510 [0,1,0,1,0,0|1,0,0]=3 1899 B6R1.2 CC1CCCN1 S589595 [0,1,0,1,0,0|1,0,0]=3 1900 B6R1.2 CC1CCCO1 M106688 [0,1,0,1,0,0|0,0,0]=2 1901 B6R1.2 CC1CCCO1 M106689 [0,1,0,1,0,0|0,0,0]=2 1902 B6R1.2 CC1CCCO1 M119683 [0,1,0,1,0,0|0,0,0]=2 1903 B6R1.2 CC1CCCO1 M298963 [0,1,0,1,0,0|0,0,0]=2 1904 B6R1.2 CC1CCCS1 M138391 [0,1,0,1,0,0|0,1,0]=3 1905 B6R1.2 CC1CCNC1 S175305 [0,1,0,1,0,0|1,0,0]=3 1906 B6R1.2 CC1CCOC1 M302425 [0,1,0,1,0,0|0,0,0]=2 1907 B6R1.2 CC1COCO1 M158513 [0,1,0,1,0,0|0,0,0]=2 1908 B6R1.2 CC1OCCO1 M157785 [0,1,0,1,0,0|0,0,0]=2 1909 B6R1.2 CN1CCCC1 M109523 [0,1,0,1,0,0|1,0,0]=3 1910 B6R1.2 [CH2-]C1OCCO1 D465905 [0,1,0,1,0,0|0,0,1]=3 1911 B6R1.3 C1C(O1)CCBr D302399 [0,1,0,1,0,0|0,0,0]=2 1912 B6R1.3 C1CC1CC#N C339744 [0,1,0,1,0,0|1,0,0]=3 1913 B6R1.3 C1CC1CCI I176162 [0,1,0,1,0,0|1,0,0]=3 1914 B6R1.3 C1CC1CON O194839 [0,1,0,1,0,0|0,0,0]=2 1915 B6R1.3 C1CC1N=C=O I184669 [0,1,0,1,0,0|0,0,2]=4 1916 B6R1.3 C1CC1N=C=S C140532 [0,1,0,1,0,0|0,1,1]=4 1917 B6R1.3 C1CN1CCO H157166 [0,1,0,1,0,0|0,0,0]=2 1918 B6R1.3 CCCC1CO1 E156390 [0,1,0,1,0,0|0,0,0]=2 1919 B6R1.3 COCC1CO1 G156840 [0,1,0,1,0,0|0,0,0]=2 1920 B6R1.3 COCC1CO1 R160880 [0,1,0,1,0,0|0,0,0]=2 1921 B6R1.3 COCC1CO1 S139136 [0,1,0,1,0,0|0,0,0]=2 1922 B6R1.5 C1C(CC1O)N C172673 [0,1,0,1,0,0|0,0,0]=2 1923 B6R1.5 C1C(CC1O)N T172530 [0,1,0,1,0,0|0,0,0]=2 1924 B6R1.5 CC1CC(=O)O1 B152852 [0,1,0,1,0,0|0,0,1]=3 1925 B6R1.5 CN1CC(C1)O H586376 [0,1,0,1,0,0|1,0,0]=3 1926 B6R1.5 CN1CC(C1)O M175942 [0,1,0,1,0,0|1,0,0]=3 1927 B6R1.9 C1C(C1(F)F)N D586260 [0,1,0,1,0,0|2,0,0]=4 1928 B6R1.10 C1C(CN1)(F)F D177157 [0,1,0,1,0,0|2,0,0]=4 1929 B6R1.10 C1C(CN1)(F)F D183446 [0,1,0,1,0,0|2,0,0]=4 1930 B6R1.10 C1C[Si](C1)(Cl)Cl D192215 [0,1,0,1,0,0|1,1,0]=4 1931 B6R1.10 CC1(CCC1)N M174981 [0,1,0,1,0,0|1,0,0]=3 1932 B6R1.10 CC1(CCC1)O M491477 [0,1,0,1,0,0|0,0,0]=2 1933 B6R1.10 CC1(COC1)N M136750 [0,1,0,1,0,0|2,0,0]=4 1934 B6R1.10 CC1(COC1)O M174660 [0,1,0,1,0,0|1,0,0]=3 1935 B6R1.10 C[Si]1(CCC1)C D168803 [0,1,0,1,0,0|1,1,0]=4 1936 B6R1.10 C[Si]1(CCC1)Cl C168869 [0,1,0,1,0,0|1,1,0]=4 1937 B6R1.11 B(C1CC1)(O)O C120273 [0,1,0,1,0,0|1,0,0]=3 1938 B6R1.11 C1CC1C(=N)N C153636 [0,1,0,1,0,0|1,0,1]=4 1939 B6R1.11 C1CC1C(=O)Cl C133840 [0,1,0,1,0,0|0,0,2]=4 1940 B6R1.11 C1CC1C(=O)N C134392 [0,1,0,1,0,0|0,0,2]=4 1941 B6R1.11 C1CC1C(=O)O C106979 [0,1,0,1,0,0|0,0,1]=3 1942 B6R1.11 CC(=O)C1CC1 C108050 [0,1,0,1,0,0|0,0,2]=4 1943 B6R1.11 CC(C1CC1)N B300122 [0,1,0,1,0,0|1,0,0]=3 1944 B6R1.11 CC(C1CC1)N R587936 [0,1,0,1,0,0|1,0,0]=3 1945 B6R1.11 CC(C1CC1)N S175013 [0,1,0,1,0,0|1,0,0]=3 1946 B6R1.11 CC(C1CC1)O C153900 [0,1,0,1,0,0|0,0,0]=2 1947 B6R1.1 C1CC=COC1 D106433 [0,1,0,1,0,0|0,0,1]=3 1948 B6R1.1 C1CCC=CC1 C112737 [0,1,0,1,0,0|1,0,0]=3 1949 B6R1.1 C1CCC=CC1 C112738 [0,1,0,1,0,0|1,0,0]=3 1950 B6R1.1 C1CCC=CC1 C118621 [0,1,0,1,0,0|1,0,0]=3 1951 B6R1.1 C1CCCCC1 C100583 [0,1,0,1,0,0|1,0,0]=3 1952 B6R1.1 C1CCCCC1 C100584 [0,1,0,1,0,0|1,0,0]=3 1953 B6R1.1 C1CCCCC1 C100585 [0,1,0,1,0,0|1,0,0]=3 1954 B6R1.1 C1CCCCC1 C100586 [0,1,0,1,0,0|1,0,0]=3 1955 B6R1.1 C1CCCCC1 C100587 [0,1,0,1,0,0|1,0,0]=3 1956 B6R1.1 C1CCCCC1 C119462 [0,1,0,1,0,0|1,0,0]=3 1957 B6R1.1 C1CCCCC1 C305176 [0,1,0,1,0,0|1,0,0]=3 1958 B6R1.1 C1CCCCC1 C431457 [0,1,0,1,0,0|1,0,0]=3 1959 B6R1.1 C1CCNCC1 P194173 [0,1,0,1,0,0|1,0,0]=3 1960 B6R1.1 C1CCNCC1 P492785 [0,1,0,1,0,0|1,0,0]=3 1961 B6R1.1 C1CCOCC1 T100998 [0,1,0,1,0,0|0,0,0]=2 1962 B6R1.1 C1CCOCC1 T298966 [0,1,0,1,0,0|0,0,0]=2 1963 B6R1.1 C1CC[NH2+]CC1 P193473 [0,1,0,1,0,0|1,0,0]=3 1964 B6R1.1 C1CNC=NC1 T132007 [0,1,0,1,0,0|1,0,1]=4 1965 B6R1.1 C1CNCC=C1 T168116 [0,1,0,1,0,0|1,0,1]=4 1966 B6R1.1 C1CNCCN1 P105274 [0,1,0,1,0,0|1,0,0]=3 1967 B6R1.1 C1CNCCN1 P105279 [0,1,0,1,0,0|1,0,0]=3 1968 B6R1.1 C1CNCCN1 P105280 [0,1,0,1,0,0|1,0,0]=3 1969 B6R1.1 C1CNCCN1 P160640 [0,1,0,1,0,0|1,0,0]=3 1970 B6R1.1 C1CNCCN1 P160723 [0,1,0,1,0,0|1,0,0]=3 1971 B6R1.1 C1CNCCN1 P160724 [0,1,0,1,0,0|1,0,0]=3 1972 B6R1.1 C1CNCCN1 P189055 [0,1,0,1,0,0|1,0,0]=3 1973 B6R1.1 C1CNCCN1 P494142 [0,1,0,1,0,0|1,0,0]=3 1974 B6R1.1 C1COC=CO1 D138969 [0,1,0,1,0,0|0,0,2]=4 1975 B6R1.1 C1COCCN1 B135840 [0,1,0,1,0,0|0,0,0]=2 1976 B6R1.1 C1COCCN1 M109058 [0,1,0,1,0,0|0,0,0]=2 1977 B6R1.1 C1COCCN1 M109059 [0,1,0,1,0,0|0,0,0]=2 1978 B6R1.1 C1COCCN1 M109060 [0,1,0,1,0,0|0,0,0]=2 1979 B6R1.1 C1COCCN1 M109061 [0,1,0,1,0,0|0,0,0]=2 1980 B6R1.1 C1COCCN1 M109062 [0,1,0,1,0,0|0,0,0]=2 1981 B6R1.1 C1COCCN1 M109063 [0,1,0,1,0,0|0,0,0]=2 1982 B6R1.1 C1COCCN1 M404758 [0,1,0,1,0,0|0,0,0]=2 1983 B6R1.1 C1COCCN1 M405755 [0,1,0,1,0,0|0,0,0]=2 1984 B6R1.1 C1COCCN1 M493696 [0,1,0,1,0,0|0,0,0]=2 1985 B6R1.1 C1COCCN1 M493905 [0,1,0,1,0,0|0,0,0]=2 1986 B6R1.1 C1COCCO1 D116156 [0,1,0,1,0,0|0,0,0]=2 1987 B6R1.1 C1COCCO1 D116157 [0,1,0,1,0,0|0,0,0]=2 1988 B6R1.1 C1COCCO1 D116158 [0,1,0,1,0,0|0,0,0]=2 1989 B6R1.1 C1COCCO1 D116159 [0,1,0,1,0,0|0,0,0]=2 1990 B6R1.1 C1COCCO1 D116160 [0,1,0,1,0,0|0,0,0]=2 1991 B6R1.1 C1COCCO1 D116161 [0,1,0,1,0,0|0,0,0]=2 1992 B6R1.1 C1COCCO1 D116162 [0,1,0,1,0,0|0,0,0]=2 1993 B6R1.1 C1COCCO1 D116163 [0,1,0,1,0,0|0,0,0]=2 1994 B6R1.1 C1COCCO1 D118381 [0,1,0,1,0,0|0,0,0]=2 1995 B6R1.1 C1COCCO1 D431641 [0,1,0,1,0,0|0,0,0]=2 1996 B6R1.1 C1COCOC1 D155920 [0,1,0,1,0,0|0,0,0]=2 1997 B6R1.1 C1CSCCN1 T111124 [0,1,0,1,0,0|0,1,0]=3 1998 B6R1.1 C1CSCCO1 T161635 [0,1,0,1,0,0|0,0,0]=2 1999 B6R1.1 C1CSCCS1 D140294 [0,1,0,1,0,0|0,1,0]=3 2000 B6R1.1 C1CSCSC1 D124194 [0,1,0,1,0,0|0,1,0]=3 2001 B6R1.1 C1SCSCS1 T162310 [0,1,0,1,0,0|1,1,0]=4 2002 B6R1.6 C1C(CN1)C#N A176201 [0,1,0,1,0,0|1,0,1]=4 2003 B6R1.6 C1C(CN1)CO A124078 [0,1,0,1,0,0|0,0,0]=2 2004 B6R1.6 C1C(CO1)C=O O173275 [0,1,0,1,0,0|0,0,2]=4 2005 B6R1.6 C1C(CO1)CN A171234 [0,1,0,1,0,0|1,0,0]=3 2006 B6R1.6 C1C(CO1)CO O176971 [0,1,0,1,0,0|0,0,0]=2 2007 B6R1.6 C1CC(C1)C#N C479085 [0,1,0,1,0,0|1,0,0]=3 2008 B6R1.6 C1CC(C1)CBr B119331 [0,1,0,1,0,0|1,0,0]=3 2009 B6R1.6 C1CC(C1)CN C176494 [0,1,0,1,0,0|1,0,0]=3 2010 B6R1.6 C1CC(C1)CN C176749 [0,1,0,1,0,0|1,0,0]=3 2011 B6R1.6 C1CC(C1)CO C120878 [0,1,0,1,0,0|0,0,0]=2 2012 B6R1.6 C1COC1CN S588071 [0,1,0,1,0,0|0,0,0]=2 2013 B6R1.6 C1COC1CO H157030 [0,1,0,1,0,0|0,0,0]=2 2014 B6R1.6 CNC1COC1 N178478 [0,1,0,1,0,0|1,0,0]=3 2015 B6R1.6 COC1CNC1 M123270 [0,1,0,1,0,0|1,0,0]=3 2016 B6R1.7 C1CC1(C#N)N A103045 [0,1,0,1,0,0|1,0,1]=4 2017 B6R1.7 C1CC1(CO)N A166142 [0,1,0,1,0,0|0,0,0]=2 2018 B6R1.7 CC1(CC1)CO M473138 [0,1,0,1,0,0|0,0,0]=2 2019 B6R1.7 CC1(CO1)C=C M115674 [0,1,0,1,0,0|0,0,2]=4 2020 B6R1.7 CC1(CO1)CCl C136952 [0,1,0,1,0,0|1,0,0]=3