0 B5R0.2 C#CCCC#N P468901 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.2 C#CCCCCl C107731 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.2 C#CCCCI I465322 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.2 C#CCCCO P106295 [0,0,0,0,0,0|0,1,2]=3 4 B5R0.2 C(C#CCCl)Cl D113513 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.2 C(C#CCCl)O C166985 [0,0,0,0,0,0|1,1,2]=4 6 B5R0.2 C(C#CCO)O B103672 [0,0,0,0,0,0|1,1,2]=4 7 B5R0.2 C(C#CCO)O B103673 [0,0,0,0,0,0|1,1,2]=4 8 B5R0.2 C(C#CCO)O B103675 [0,0,0,0,0,0|1,1,2]=4 9 B5R0.2 C(C=CCBr)Br T121197 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.2 C(C=CCCl)Cl C141162 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.2 C(C=CCCl)Cl D102461 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.2 C(C=CCCl)Cl D102462 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.2 C(C=CCCl)Cl D155430 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.2 C(C=CCO)O B107560 [0,0,0,0,0,0|1,1,2]=4 15 B5R0.2 C(C=CCO)O B111227 [0,0,0,0,0,0|1,1,2]=4 16 B5R0.2 C(C=CCO)O T162684 [0,0,0,0,0,0|1,1,2]=4 17 B5R0.2 C(CBr)N=C=O B463144 [0,0,0,0,0,0|2,1,1]=4 18 B5R0.2 C(CC#N)C#N S108929 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.2 C(CC#N)CBr B152157 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.2 C(CC#N)CCl C102368 [0,0,0,0,0,0|2,0,1]=3 21 B5R0.2 C(CCBr)CBr D105749 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.2 C(CCBr)CCl B109690 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.2 C(CCBr)CF B122542 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.2 C(CCBr)CN B163034 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.2 C(CCBr)CO B136242 [0,0,0,0,0,0|1,1,0]=2 26 B5R0.2 C(CCCl)CCl D103409 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.2 C(CCCl)CO C118833 [0,0,0,0,0,0|1,1,0]=2 28 B5R0.2 C(CCI)CCl C153542 [0,0,0,0,0,0|2,0,0]=2 29 B5R0.2 C(CCI)CI D155304 [0,0,0,0,0,0|2,0,0]=2 30 B5R0.2 C(CCN)CN B292804 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.2 C(CCN)CN B304967 [0,0,0,0,0,0|2,0,0]=2 32 B5R0.2 C(CCN)CN B492953 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.2 C(CCN)CN D106194 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.2 C(CCN)CN D423441 [0,0,0,0,0,0|2,0,0]=2 35 B5R0.2 C(CCN)CN D472054 [0,0,0,0,0,0|2,0,0]=2 36 B5R0.2 C(CCO)CN A109739 [0,0,0,0,0,0|1,1,0]=2 37 B5R0.2 C(CCO)CO B110391 [0,0,0,0,0,0|1,1,0]=2 38 B5R0.2 C(CCO)CO B110394 [0,0,0,0,0,0|1,1,0]=2 39 B5R0.2 C(CCO)CO B110395 [0,0,0,0,0,0|1,1,0]=2 40 B5R0.2 C(CCS)CO M338696 [0,0,0,0,0,0|1,0,0]=1 41 B5R0.2 C(CCS)CS B152757 [0,0,0,0,0,0|1,0,0]=1 42 B5R0.2 C(CCS)CS B419814 [0,0,0,0,0,0|1,0,0]=1 43 B5R0.2 C(CCl)N=C=O C106493 [0,0,0,0,0,0|2,1,1]=4 44 B5R0.2 C(CCl)N=C=S C153806 [0,0,0,0,0,0|2,0,2]=4 45 B5R0.2 C(CCl)OCCl C140412 [0,0,0,0,0,0|3,0,0]=3 46 B5R0.2 C(CO)N=[N+]=[N-] A302966 [0,0,0,0,0,0|3,1,0]=4 47 B5R0.2 C=CCCC#N P160479 [0,0,0,0,0,0|1,0,3]=4 48 B5R0.2 C=CCCC=C C118545 [0,0,0,0,0,0|1,0,3]=4 49 B5R0.2 C=CCCC=C H106694 [0,0,0,0,0,0|1,0,3]=4 50 B5R0.2 C=CCCCBr B107734 [0,0,0,0,0,0|1,0,2]=3 51 B5R0.2 C=CCCCO P103073 [0,0,0,0,0,0|0,1,2]=3 52 B5R0.2 C=COCCO E135293 [0,0,0,0,0,0|1,1,2]=4 53 B5R0.2 CC#CCCO P160656 [0,0,0,0,0,0|0,1,2]=3 54 B5R0.2 CC=CCC#N P338284 [0,0,0,0,0,0|1,0,3]=4 55 B5R0.2 CC=CCC=C H157263 [0,0,0,0,0,0|1,0,3]=4 56 B5R0.2 CC=CCC=C T162375 [0,0,0,0,0,0|1,0,3]=4 57 B5R0.2 CCC#CCBr B136107 [0,0,0,0,0,0|1,0,2]=3 58 B5R0.2 CCC#CCC H157357 [0,0,0,0,0,0|1,0,2]=3 59 B5R0.2 CCC#CCO P160655 [0,0,0,0,0,0|0,1,2]=3 60 B5R0.2 CCC=CC#N P160478 [0,0,0,0,0,0|1,0,3]=4 61 B5R0.2 CCC=CC=O T161487 [0,0,0,0,0,0|0,1,3]=4 62 B5R0.2 CCC=CCC C153487 [0,0,0,0,0,0|1,0,2]=3 63 B5R0.2 CCC=CCC H157267 [0,0,0,0,0,0|1,0,2]=3 64 B5R0.2 CCC=CCC T162372 [0,0,0,0,0,0|1,0,2]=3 65 B5R0.2 CCC=CCO C153493 [0,0,0,0,0,0|0,1,2]=3 66 B5R0.2 CCC=CCO T299958 [0,0,0,0,0,0|0,1,2]=3 67 B5R0.2 CCCC#CC H157356 [0,0,0,0,0,0|1,0,2]=3 68 B5R0.2 CCCC=CC C153486 [0,0,0,0,0,0|1,0,2]=3 69 B5R0.2 CCCC=CC H157262 [0,0,0,0,0,0|1,0,2]=3 70 B5R0.2 CCCC=CC T162371 [0,0,0,0,0,0|1,0,2]=3 71 B5R0.2 CCCC=NO B152406 [0,0,0,0,0,0|1,1,1]=3 72 B5R0.2 CCCCC#C H106703 [0,0,0,0,0,0|1,0,1]=2 73 B5R0.2 CCCCC#N B100431 [0,0,0,0,0,0|1,0,1]=2 74 B5R0.2 CCCCC#N B100432 [0,0,0,0,0,0|1,0,1]=2 75 B5R0.2 CCCCC=C H109530 [0,0,0,0,0,0|1,0,1]=2 76 B5R0.2 CCCCC=C H109531 [0,0,0,0,0,0|1,0,1]=2 77 B5R0.2 CCCCC=C H109532 [0,0,0,0,0,0|1,0,1]=2 78 B5R0.2 CCCCC=C H109533 [0,0,0,0,0,0|1,0,1]=2 79 B5R0.2 CCCCC=O V103717 [0,0,0,0,0,0|0,1,1]=2 80 B5R0.2 CCCCCBr B104782 [0,0,0,0,0,0|1,0,0]=1 81 B5R0.2 CCCCCBr B305762 [0,0,0,0,0,0|1,0,0]=1 82 B5R0.2 CCCCCC H100107 [0,0,0,0,0,0|1,0,0]=1 83 B5R0.2 CCCCCC H109653 [0,0,0,0,0,0|1,0,0]=1 84 B5R0.2 CCCCCC H109654 [0,0,0,0,0,0|1,0,0]=1 85 B5R0.2 CCCCCC H109656 [0,0,0,0,0,0|1,0,0]=1 86 B5R0.2 CCCCCC H109659 [0,0,0,0,0,0|1,0,0]=1 87 B5R0.2 CCCCCC H119662 [0,0,0,0,0,0|1,0,0]=1 88 B5R0.2 CCCCCC H121283 [0,0,0,0,0,0|1,0,0]=1 89 B5R0.2 CCCCCC H140380 [0,0,0,0,0,0|1,0,0]=1 90 B5R0.2 CCCCCC H298923 [0,0,0,0,0,0|1,0,0]=1 91 B5R0.2 CCCCCC N431441 [0,0,0,0,0,0|1,0,0]=1 92 B5R0.2 CCCCCCl C109473 [0,0,0,0,0,0|1,0,0]=1 93 B5R0.2 CCCCCCl C109474 [0,0,0,0,0,0|1,0,0]=1 94 B5R0.2 CCCCCF F171115 [0,0,0,0,0,0|1,0,0]=1 95 B5R0.2 CCCCCI I104798 [0,0,0,0,0,0|1,0,0]=1 96 B5R0.2 CCCCCN A105343 [0,0,0,0,0,0|1,0,0]=1 97 B5R0.2 CCCCCN P292685 [0,0,0,0,0,0|1,0,0]=1 98 B5R0.2 CCCCCN P292697 [0,0,0,0,0,0|1,0,0]=1 99 B5R0.2 CCCCCN P292701 [0,0,0,0,0,0|1,0,0]=1 100 B5R0.2 CCCCCN P494144 [0,0,0,0,0,0|1,0,0]=1 101 B5R0.2 CCCCCO N350217 [0,0,0,0,0,0|0,1,0]=1 102 B5R0.2 CCCCCO P108125 [0,0,0,0,0,0|0,1,0]=1 103 B5R0.2 CCCCCO P108126 [0,0,0,0,0,0|0,1,0]=1 104 B5R0.2 CCCCCO P108127 [0,0,0,0,0,0|0,1,0]=1 105 B5R0.2 CCCCCO P108128 [0,0,0,0,0,0|0,1,0]=1 106 B5R0.2 CCCCCO P108129 [0,0,0,0,0,0|0,1,0]=1 107 B5R0.2 CCCCCO P108130 [0,0,0,0,0,0|0,1,0]=1 108 B5R0.2 CCCCCS A100028 [0,0,0,0,0,0|0,0,0]=0 109 B5R0.2 CCCCOC B152821 [0,0,0,0,0,0|2,0,0]=2 110 B5R0.2 CCCCON O184596 [0,0,0,0,0,0|2,0,0]=2 111 B5R0.2 CCCCSC B152508 [0,0,0,0,0,0|2,0,0]=2 112 B5R0.2 CCCC[Sn]Cl B302420 [0,0,0,0,0,0|2,0,0]=2 113 B5R0.2 CCCN=C=S P140610 [0,0,0,0,0,0|1,0,2]=3 114 B5R0.2 CCCNCC N159096 [0,0,0,0,0,0|2,0,0]=2 115 B5R0.2 CCCOC=C P137362 [0,0,0,0,0,0|2,0,1]=3 116 B5R0.2 CCCOC=O P160055 [0,0,0,0,0,0|1,1,1]=3 117 B5R0.2 CCCOCC E156162 [0,0,0,0,0,0|2,0,0]=2 118 B5R0.2 CCCSCC E134963 [0,0,0,0,0,0|2,0,0]=2 119 B5R0.2 CCCSSC M103114 [0,0,0,0,0,0|3,0,0]=3 120 B5R0.2 CCNCCN N138023 [0,0,0,0,0,0|2,0,0]=2 121 B5R0.2 CCNCCO E156112 [0,0,0,0,0,0|1,1,0]=2 122 B5R0.2 CCNCCO E301665 [0,0,0,0,0,0|1,1,0]=2 123 B5R0.2 CCNNCC D487275 [0,0,0,0,0,0|3,0,0]=3 124 B5R0.2 CCOC=CC E122346 [0,0,0,0,0,0|2,0,2]=4 125 B5R0.2 CCOCC=C A151091 [0,0,0,0,0,0|2,0,1]=3 126 B5R0.2 CCOCCBr B152837 [0,0,0,0,0,0|2,0,0]=2 127 B5R0.2 CCOCCCl C153264 [0,0,0,0,0,0|2,0,0]=2 128 B5R0.2 CCOCCN E156296 [0,0,0,0,0,0|2,0,0]=2 129 B5R0.2 CCOCCO E110821 [0,0,0,0,0,0|1,1,0]=2 130 B5R0.2 CCOCCO E110822 [0,0,0,0,0,0|1,1,0]=2 131 B5R0.2 CCOCCO E118463 [0,0,0,0,0,0|1,1,0]=2 132 B5R0.2 CCSCCCl C102885 [0,0,0,0,0,0|2,0,0]=2 133 B5R0.2 CCSCCN E170901 [0,0,0,0,0,0|2,0,0]=2 134 B5R0.2 CCSCCN E300178 [0,0,0,0,0,0|2,0,0]=2 135 B5R0.2 CCSCCO E156428 [0,0,0,0,0,0|1,1,0]=2 136 B5R0.2 CCSSCC D140646 [0,0,0,0,0,0|3,0,0]=3 137 B5R0.2 CC[NH2+]SC#N E493816 [0,0,0,0,0,0|3,0,1]=4 138 B5R0.2 CC[Se][Se]CC D155798 [0,0,0,0,0,0|3,0,0]=3 139 B5R0.2 CNCCC#N M104316 [0,0,0,0,0,0|2,0,1]=3 140 B5R0.2 CNCCCN N104493 [0,0,0,0,0,0|2,0,0]=2 141 B5R0.2 CNCCCO M133702 [0,0,0,0,0,0|1,1,0]=2 142 B5R0.2 CNCCNC D106275 [0,0,0,0,0,0|3,0,0]=3 143 B5R0.2 CNCCOC N159090 [0,0,0,0,0,0|3,0,0]=3 144 B5R0.2 COCCC#N M158577 [0,0,0,0,0,0|2,0,1]=3 145 B5R0.2 COCCCBr B136284 [0,0,0,0,0,0|2,0,0]=2 146 B5R0.2 COCCCCl C108061 [0,0,0,0,0,0|2,0,0]=2 147 B5R0.2 COCCCN M134485 [0,0,0,0,0,0|2,0,0]=2 148 B5R0.2 COCCCN M587821 [0,0,0,0,0,0|2,0,0]=2 149 B5R0.2 COCCCO M107732 [0,0,0,0,0,0|1,1,0]=2 150 B5R0.2 COCCOC D299631 [0,0,0,0,0,0|3,0,0]=3 151 B5R0.2 COCCOC E104387 [0,0,0,0,0,0|3,0,0]=3 152 B5R0.2 COCCOC E104388 [0,0,0,0,0,0|3,0,0]=3 153 B5R0.2 COCCOC E104391 [0,0,0,0,0,0|3,0,0]=3 154 B5R0.2 COCCOC E119676 [0,0,0,0,0,0|3,0,0]=3 155 B5R0.2 COCCOC I282413 [0,0,0,0,0,0|3,0,0]=3 156 B5R0.2 COCCOC P107530 [0,0,0,0,0,0|3,0,0]=3 157 B5R0.2 COCCOC P432396 [0,0,0,0,0,0|3,0,0]=3 158 B5R0.2 COCCOC P432397 [0,0,0,0,0,0|3,0,0]=3 159 B5R0.2 COCCOC P432398 [0,0,0,0,0,0|3,0,0]=3 160 B5R0.2 CSCCC=O M109548 [0,0,0,0,0,0|1,1,1]=3 161 B5R0.2 CSCCCN M158420 [0,0,0,0,0,0|2,0,0]=2 162 B5R0.2 CSCCCO M102967 [0,0,0,0,0,0|1,1,0]=2 163 B5R0.2 CSSCC=C M103119 [0,0,0,0,0,0|3,0,1]=4 164 B5R0.2 ClCCOC=C V141139 [0,0,0,0,0,0|2,0,2]=4 165 B5R0.2 OCCCCO P487355 [0,0,0,0,0,0|1,1,0]=2 166 B4R0.2 C#CCCBr B151807 [1,0,0,0,0,0|1,0,2]=4 167 B4R0.2 C#CCCN B195517 [1,0,0,0,0,0|1,0,2]=4 168 B4R0.2 C#CCCO B106249 [1,0,0,0,0,0|0,1,2]=4 169 B4R0.2 C(CBr)C#N B106916 [1,0,0,0,0,0|2,0,1]=4 170 B4R0.2 C(CBr)CBr D104777 [1,0,0,0,0,0|2,0,0]=3 171 B4R0.2 C(CBr)CBr D104778 [1,0,0,0,0,0|2,0,0]=3 172 B4R0.2 C(CCl)C#N C141146 [1,0,0,0,0,0|2,0,1]=4 173 B4R0.2 C(CCl)C#N C298757 [1,0,0,0,0,0|2,0,1]=4 174 B4R0.2 C(CCl)CBr B105780 [1,0,0,0,0,0|2,0,0]=3 175 B4R0.2 C(CCl)CCl D109184 [1,0,0,0,0,0|2,0,0]=3 176 B4R0.2 C(CCl)CCl D109185 [1,0,0,0,0,0|2,0,0]=3 177 B4R0.2 C(CCl)CCl D113099 [1,0,0,0,0,0|2,0,0]=3 178 B4R0.2 C(CCl)CCl D128142 [1,0,0,0,0,0|2,0,0]=3 179 B4R0.2 C(CCl)CCl D140761 [1,0,0,0,0,0|2,0,0]=3 180 B4R0.2 C(CCl)CI C153543 [1,0,0,0,0,0|2,0,0]=3 181 B4R0.2 C(CF)CBr B303518 [1,0,0,0,0,0|2,0,0]=3 182 B4R0.2 C(CF)CI I184641 [1,0,0,0,0,0|2,0,0]=3 183 B4R0.2 C(CI)CI D139104 [1,0,0,0,0,0|2,0,0]=3 184 B4R0.2 C(CN)C#N A107499 [1,0,0,0,0,0|2,0,1]=4 185 B4R0.2 C(CN)CBr B106915 [1,0,0,0,0,0|2,0,0]=3 186 B4R0.2 C(CN)CCl C102474 [1,0,0,0,0,0|2,0,0]=3 187 B4R0.2 C(CN)CN B151838 [1,0,0,0,0,0|2,0,0]=3 188 B4R0.2 C(CN)CN D154662 [1,0,0,0,0,0|2,0,0]=3 189 B4R0.2 C(CN)CN D155613 [1,0,0,0,0,0|2,0,0]=3 190 B4R0.2 C(CN)CN D155681 [1,0,0,0,0,0|2,0,0]=3 191 B4R0.2 C(CN)CN P103898 [1,0,0,0,0,0|2,0,0]=3 192 B4R0.2 C(CN)CN P492915 [1,0,0,0,0,0|2,0,0]=3 193 B4R0.2 C(CN)CN P494086 [1,0,0,0,0,0|2,0,0]=3 194 B4R0.2 C(CN)CO A106068 [1,0,0,0,0,0|1,1,0]=3 195 B4R0.2 C(CN)CO A106069 [1,0,0,0,0,0|1,1,0]=3 196 B4R0.2 C(CN)CO A151629 [1,0,0,0,0,0|1,1,0]=3 197 B4R0.2 C(CN)CO A299064 [1,0,0,0,0,0|1,1,0]=3 198 B4R0.2 C(CN)CS A476835 [1,0,0,0,0,0|1,0,0]=2 199 B4R0.2 C(CO)C#N H109415 [1,0,0,0,0,0|1,1,1]=4 200 B4R0.2 C(CO)C=O H588118 [1,0,0,0,0,0|1,1,1]=4 201 B4R0.2 C(CO)CBr B108055 [1,0,0,0,0,0|1,1,0]=3 202 B4R0.2 C(CO)CBr B140136 [1,0,0,0,0,0|1,1,0]=3 203 B4R0.2 C(CO)CCl C109471 [1,0,0,0,0,0|1,1,0]=3 204 B4R0.2 C(CO)CF F404475 [1,0,0,0,0,0|1,1,0]=3 205 B4R0.2 C(CO)CI I139105 [1,0,0,0,0,0|1,1,0]=3 206 B4R0.2 C(CO)CO P108206 [1,0,0,0,0,0|1,1,0]=3 207 B4R0.2 C(CO)CO P108207 [1,0,0,0,0,0|1,1,0]=3 208 B4R0.2 C(CO)CO P108208 [1,0,0,0,0,0|1,1,0]=3 209 B4R0.2 C(CO)CO P432773 [1,0,0,0,0,0|1,1,0]=3 210 B4R0.2 C(CO)CS M158215 [1,0,0,0,0,0|1,0,0]=2 211 B4R0.2 C(CO)NN H113414 [1,0,0,0,0,0|2,1,0]=4 212 B4R0.2 C(CON)N A193083 [1,0,0,0,0,0|3,0,0]=4 213 B4R0.2 C(CS)C#N M302020 [1,0,0,0,0,0|1,0,1]=3 214 B4R0.2 C(CS)CS P100845 [1,0,0,0,0,0|1,0,0]=2 215 B4R0.2 C=CCCBr B106906 [1,0,0,0,0,0|1,0,2]=4 216 B4R0.2 C=CCCCl C405543 [1,0,0,0,0,0|1,0,2]=4 217 B4R0.2 C=CCCN B167997 [1,0,0,0,0,0|1,0,2]=4 218 B4R0.2 C=CCCO B120318 [1,0,0,0,0,0|0,1,2]=4 219 B4R0.2 CC#CCO B111064 [1,0,0,0,0,0|0,1,2]=4 220 B4R0.2 CC=CCCl C153477 [1,0,0,0,0,0|1,0,2]=4 221 B4R0.2 CC=CCCl C153917 [1,0,0,0,0,0|1,0,2]=4 222 B4R0.2 CC=CCO C106252 [1,0,0,0,0,0|0,1,2]=4 223 B4R0.2 CCC#CC P160658 [1,0,0,0,0,0|0,0,2]=3 224 B4R0.2 CCC=C=C P160269 [1,0,0,0,0,0|0,0,3]=4 225 B4R0.2 CCCC=O B100299 [1,0,0,0,0,0|0,1,1]=3 226 B4R0.2 CCCC=O B100302 [1,0,0,0,0,0|0,1,1]=3 227 B4R0.2 CCCC=O B305593 [1,0,0,0,0,0|0,1,1]=3 228 B4R0.2 CCCCBr B105250 [1,0,0,0,0,0|1,0,0]=2 229 B4R0.2 CCCCBr B105252 [1,0,0,0,0,0|1,0,0]=2 230 B4R0.2 CCCCBr B105256 [1,0,0,0,0,0|1,0,0]=2 231 B4R0.2 CCCCBr B472078 [1,0,0,0,0,0|1,0,0]=2 232 B4R0.2 CCCCCl C103252 [1,0,0,0,0,0|1,0,0]=2 233 B4R0.2 CCCCCl C103253 [1,0,0,0,0,0|1,0,0]=2 234 B4R0.2 CCCCCl C103255 [1,0,0,0,0,0|1,0,0]=2 235 B4R0.2 CCCCCl C103256 [1,0,0,0,0,0|1,0,0]=2 236 B4R0.2 CCCCCl C118434 [1,0,0,0,0,0|1,0,0]=2 237 B4R0.2 CCCCI I108560 [1,0,0,0,0,0|1,0,0]=2 238 B4R0.2 CCCCN B110356 [1,0,0,0,0,0|1,0,0]=2 239 B4R0.2 CCCCN B110357 [1,0,0,0,0,0|1,0,0]=2 240 B4R0.2 CCCCN B110358 [1,0,0,0,0,0|1,0,0]=2 241 B4R0.2 CCCCN B110359 [1,0,0,0,0,0|1,0,0]=2 242 B4R0.2 CCCCN B152519 [1,0,0,0,0,0|1,0,0]=2 243 B4R0.2 CCCCN B152886 [1,0,0,0,0,0|1,0,0]=2 244 B4R0.2 CCCCN B152948 [1,0,0,0,0,0|1,0,0]=2 245 B4R0.2 CCCCN B491792 [1,0,0,0,0,0|1,0,0]=2 246 B4R0.2 CCCCN B492127 [1,0,0,0,0,0|1,0,0]=2 247 B4R0.2 CCCCN B492132 [1,0,0,0,0,0|1,0,0]=2 248 B4R0.2 CCCCN B492157 [1,0,0,0,0,0|1,0,0]=2 249 B4R0.2 CCCCN B494094 [1,0,0,0,0,0|1,0,0]=2 250 B4R0.2 CCCCO B111569 [1,0,0,0,0,0|0,1,0]=2 251 B4R0.2 CCCCO B111571 [1,0,0,0,0,0|0,1,0]=2 252 B4R0.2 CCCCO B111573 [1,0,0,0,0,0|0,1,0]=2 253 B4R0.2 CCCCO B111575 [1,0,0,0,0,0|0,1,0]=2 254 B4R0.2 CCCCO B111577 [1,0,0,0,0,0|0,1,0]=2 255 B4R0.2 CCCCO B111578 [1,0,0,0,0,0|0,1,0]=2 256 B4R0.2 CCCCO B111580 [1,0,0,0,0,0|0,1,0]=2 257 B4R0.2 CCCCO B111581 [1,0,0,0,0,0|0,1,0]=2 258 B4R0.2 CCCCO B119677 [1,0,0,0,0,0|0,1,0]=2 259 B4R0.2 CCCCO B400251 [1,0,0,0,0,0|0,1,0]=2 260 B4R0.2 CCCCO B433378 [1,0,0,0,0,0|0,1,0]=2 261 B4R0.2 CCCCO B474143 [1,0,0,0,0,0|0,1,0]=2 262 B4R0.2 CCCCO H348242 [1,0,0,0,0,0|0,1,0]=2 263 B4R0.2 CCCCO P340766 [1,0,0,0,0,0|0,1,0]=2 264 B4R0.2 CCCCS B105716 [1,0,0,0,0,0|0,0,0]=1 265 B4R0.2 CCCCS B105717 [1,0,0,0,0,0|0,0,0]=1 266 B4R0.2 CCCC[CH2-] P331063 [1,0,0,0,0,0|0,0,1]=2 267 B4R0.2 CCCC[CH2-] P466408 [1,0,0,0,0,0|0,0,1]=2 268 B4R0.2 CCCC[O-] N335856 [1,0,0,0,0,0|0,1,0]=2 269 B4R0.2 CCCC[O-] T104104 [1,0,0,0,0,0|0,1,0]=2 270 B4R0.2 CCCC[O-] T104105 [1,0,0,0,0,0|0,1,0]=2 271 B4R0.2 CCCC[O-] T304454 [1,0,0,0,0,0|0,1,0]=2 272 B4R0.2 CCCC[O-] T350722 [1,0,0,0,0,0|0,1,0]=2 273 B4R0.2 CCCC[O-] Z106334 [1,0,0,0,0,0|0,1,0]=2 274 B4R0.2 CCCNC M124663 [1,0,0,0,0,0|1,0,0]=2 275 B4R0.2 CCCSC M158417 [1,0,0,0,0,0|1,0,0]=2 276 B4R0.2 CCN=C=S E140613 [1,0,0,0,0,0|1,0,2]=4 277 B4R0.2 CCNC=O N159329 [1,0,0,0,0,0|1,1,1]=4 278 B4R0.2 CCNCC D110465 [1,0,0,0,0,0|1,0,0]=2 279 B4R0.2 CCNCC D110466 [1,0,0,0,0,0|1,0,0]=2 280 B4R0.2 CCNCC D110469 [1,0,0,0,0,0|1,0,0]=2 281 B4R0.2 CCNCC D110470 [1,0,0,0,0,0|1,0,0]=2 282 B4R0.2 CCNCC D154676 [1,0,0,0,0,0|1,0,0]=2 283 B4R0.2 CCNCC D155612 [1,0,0,0,0,0|1,0,0]=2 284 B4R0.2 CCNCC E102892 [1,0,0,0,0,0|1,0,0]=2 285 B4R0.2 CCNCC E102893 [1,0,0,0,0,0|1,0,0]=2 286 B4R0.2 CCOC#C E113364 [1,0,0,0,0,0|1,0,2]=4 287 B4R0.2 CCOC#C E579852 [1,0,0,0,0,0|1,0,2]=4 288 B4R0.2 CCOC=C P475896 [1,0,0,0,0,0|1,0,2]=4 289 B4R0.2 CCOC=O E110412 [1,0,0,0,0,0|1,1,1]=4 290 B4R0.2 CCOC=O E110414 [1,0,0,0,0,0|1,1,1]=4 291 B4R0.2 CCOC=O E110415 [1,0,0,0,0,0|1,1,1]=4 292 B4R0.2 CCOC=O E110417 [1,0,0,0,0,0|1,1,1]=4 293 B4R0.2 CCOC=O E139940 [1,0,0,0,0,0|1,1,1]=4 294 B4R0.2 CCOCC B104430 [1,0,0,0,0,0|1,0,0]=2 295 B4R0.2 CCOCC B104431 [1,0,0,0,0,0|1,0,0]=2 296 B4R0.2 CCOCC B299094 [1,0,0,0,0,0|1,0,0]=2 297 B4R0.2 CCOCC B431395 [1,0,0,0,0,0|1,0,0]=2 298 B4R0.2 CCOCC M345280 [1,0,0,0,0,0|1,0,0]=2 299 B4R0.2 CCOCC T189182 [1,0,0,0,0,0|1,0,0]=2 300 B4R0.2 CCOCC T498340 [1,0,0,0,0,0|1,0,0]=2 301 B4R0.2 CCOCCl C137178 [1,0,0,0,0,0|2,0,0]=3 302 B4R0.2 CCSC#N E156402 [1,0,0,0,0,0|2,0,1]=4 303 B4R0.2 CCSC=C E156347 [1,0,0,0,0,0|1,0,2]=4 304 B4R0.2 CCSCC C130098 [1,0,0,0,0,0|1,0,0]=2 305 B4R0.2 CCSCC D105796 [1,0,0,0,0,0|1,0,0]=2 306 B4R0.2 CC[N-]CC L283253 [1,0,0,0,0,0|1,0,0]=2 307 B4R0.2 CC[Si]CC D331180 [1,0,0,0,0,0|0,1,0]=2 308 B4R0.2 CNCC#C N467806 [1,0,0,0,0,0|1,0,2]=4 309 B4R0.2 CNCC#N M102241 [1,0,0,0,0,0|2,0,1]=4 310 B4R0.2 CNCC#N M158300 [1,0,0,0,0,0|2,0,1]=4 311 B4R0.2 CNCC=C I136680 [1,0,0,0,0,0|1,0,2]=4 312 B4R0.2 CNCCBr B589001 [1,0,0,0,0,0|2,0,0]=3 313 B4R0.2 CNCCCl M303747 [1,0,0,0,0,0|2,0,0]=3 314 B4R0.2 CNCCN N159347 [1,0,0,0,0,0|2,0,0]=3 315 B4R0.2 CNCCO M106448 [1,0,0,0,0,0|1,1,0]=3 316 B4R0.2 CNCCO M589702 [1,0,0,0,0,0|1,1,0]=3 317 B4R0.2 COCC#C M157951 [1,0,0,0,0,0|1,0,2]=4 318 B4R0.2 COCC#N M158576 [1,0,0,0,0,0|2,0,1]=4 319 B4R0.2 COCC=C A135232 [1,0,0,0,0,0|1,0,2]=4 320 B4R0.2 COCCBr B139139 [1,0,0,0,0,0|2,0,0]=3 321 B4R0.2 COCCCl C108060 [1,0,0,0,0,0|2,0,0]=3 322 B4R0.2 COCCN M138018 [1,0,0,0,0,0|2,0,0]=3 323 B4R0.2 COCCN M404735 [1,0,0,0,0,0|2,0,0]=3 324 B4R0.2 COCCN M493557 [1,0,0,0,0,0|2,0,0]=3 325 B4R0.2 COCCO M102852 [1,0,0,0,0,0|1,1,0]=3 326 B4R0.2 COCCO M102853 [1,0,0,0,0,0|1,1,0]=3 327 B4R0.2 COCCO M102854 [1,0,0,0,0,0|1,1,0]=3 328 B4R0.2 COCCO M102855 [1,0,0,0,0,0|1,1,0]=3 329 B4R0.2 COCCO M102856 [1,0,0,0,0,0|1,1,0]=3 330 B4R0.2 COCCO M102857 [1,0,0,0,0,0|1,1,0]=3 331 B4R0.2 COCCO M102858 [1,0,0,0,0,0|1,1,0]=3 332 B4R0.2 COCCO M119725 [1,0,0,0,0,0|1,1,0]=3 333 B4R0.2 COCOC D101433 [1,0,0,0,0,0|2,0,0]=3 334 B4R0.2 COCOC D101436 [1,0,0,0,0,0|2,0,0]=3 335 B4R0.2 COCOC F431409 [1,0,0,0,0,0|2,0,0]=3 336 B4R0.2 CSCC#N M158307 [1,0,0,0,0,0|2,0,1]=4 337 B4R0.2 CSCC=C A101060 [1,0,0,0,0,0|1,0,2]=4 338 B4R0.2 CSCCCl C153648 [1,0,0,0,0,0|2,0,0]=3 339 B4R0.2 CSCCN M113671 [1,0,0,0,0,0|2,0,0]=3 340 B4R0.2 CSCCN M194629 [1,0,0,0,0,0|2,0,0]=3 341 B4R0.2 CSCCO M138946 [1,0,0,0,0,0|1,1,0]=3 342 B4R0.2 CSCSC B140648 [1,0,0,0,0,0|2,0,0]=3 343 B4R0.2 CSSSC D103087 [1,0,0,0,0,0|3,0,0]=4 344 B6R0.1 C(C#N)C(CCl)O C123021 [0,1,0,0,0,0|2,0,1]=4 345 B6R0.1 C(C#N)C(CCl)O S190446 [0,1,0,0,0,0|2,0,1]=4 346 B6R0.1 C(CO)C(CO)O B105549 [0,1,0,0,0,0|1,1,0]=3 347 B6R0.1 C(CO)C(CO)O B118474 [0,1,0,0,0,0|1,1,0]=3 348 B6R0.1 C(CO)C(CO)O R472595 [0,1,0,0,0,0|1,1,0]=3 349 B6R0.1 C(CO)C(CO)O S102777 [0,1,0,0,0,0|1,1,0]=3 350 B6R0.1 CC(CC=O)SC M102934 [0,1,0,0,0,0|1,1,1]=4 351 B6R0.1 CC(CCO)OC M102190 [0,1,0,0,0,0|1,1,0]=3 352 B6R0.1 CC(COC)OC D155537 [0,1,0,0,0,0|3,0,0]=4 353 B6R0.1 CCC(=O)OCC E103457 [0,1,0,0,0,0|2,0,1]=4 354 B6R0.1 CCC(=O)OCC E103458 [0,1,0,0,0,0|2,0,1]=4 355 B6R0.1 CCC(=O)OCC E103459 [0,1,0,0,0,0|2,0,1]=4 356 B6R0.1 CCC(=O)OCC E103460 [0,1,0,0,0,0|2,0,1]=4 357 B6R0.1 CCC(=O)OCC E278958 [0,1,0,0,0,0|2,0,1]=4 358 B6R0.1 CCC(=O)SCC S133123 [0,1,0,0,0,0|2,0,1]=4 359 B6R0.1 CCC(C)N=C=S B140604 [0,1,0,0,0,0|1,0,2]=4 360 B6R0.1 CCC(C)OCC S161060 [0,1,0,0,0,0|2,0,0]=3 361 B6R0.1 CCC(CC#C)O H157361 [0,1,0,0,0,0|1,0,1]=3 362 B6R0.1 CCC(CCN)N D155073 [0,1,0,0,0,0|1,0,0]=2 363 B6R0.1 CCC(COC)N A151357 [0,1,0,0,0,0|2,0,0]=3 364 B6R0.1 CCC(COC)O M158749 [0,1,0,0,0,0|2,0,0]=3 365 B6R0.1 CCCC(=O)CC H106710 [0,1,0,0,0,0|1,0,1]=3 366 B6R0.1 CCCC(=O)NN B183968 [0,1,0,0,0,0|2,0,1]=4 367 B6R0.1 CCCC(=O)OC M100038 [0,1,0,0,0,0|2,0,1]=4 368 B6R0.1 CCCC(=O)OC M100039 [0,1,0,0,0,0|2,0,1]=4 369 B6R0.1 CCCC(=O)OC M100040 [0,1,0,0,0,0|2,0,1]=4 370 B6R0.1 CCCC(=O)SC M102997 [0,1,0,0,0,0|2,0,1]=4 371 B6R0.1 CCCC(C#C)O H101580 [0,1,0,0,0,0|1,0,1]=3 372 B6R0.1 CCCC(C)C=O M158691 [0,1,0,0,0,0|0,1,1]=3 373 B6R0.1 CCCC(C)CC M158521 [0,1,0,0,0,0|1,0,0]=2 374 B6R0.1 CCCC(C)CO M113625 [0,1,0,0,0,0|0,1,0]=2 375 B6R0.1 CCCC(C=C)O H157268 [0,1,0,0,0,0|1,0,1]=3 376 B6R0.1 CCCC(CC)Br B152444 [0,1,0,0,0,0|1,0,0]=2 377 B6R0.1 CCCC(CC)Cl C153662 [0,1,0,0,0,0|1,0,0]=2 378 B6R0.1 CCCC(CC)O H133955 [0,1,0,0,0,0|1,0,0]=2 379 B6R0.1 CCCC(CO)N D333561 [0,1,0,0,0,0|0,1,0]=2 380 B6R0.1 CCCC(CO)N I168777 [0,1,0,0,0,0|0,1,0]=2 381 B6R0.1 CCCC(CO)O P108068 [0,1,0,0,0,0|0,1,0]=2 382 B6R0.1 CCOC(=O)CBr E106090 [0,1,0,0,0,0|2,0,1]=4 383 B6R0.1 CCOC(=O)CCl E105166 [0,1,0,0,0,0|2,0,1]=4 384 B6R0.1 CCOC(=O)CCl E105167 [0,1,0,0,0,0|2,0,1]=4 385 B6R0.1 CCOC(=O)CF E107563 [0,1,0,0,0,0|2,0,1]=4 386 B6R0.1 CCOC(=O)CN G105477 [0,1,0,0,0,0|2,0,1]=4 387 B6R0.1 CCOC(=O)CO E101730 [0,1,0,0,0,0|1,1,1]=4 388 B6R0.1 CCOC(=O)CS E109439 [0,1,0,0,0,0|1,0,1]=3 389 B6R0.1 CNCC(CO)O M157918 [0,1,0,0,0,0|1,1,0]=3 390 B6R0.1 COC(=O)CCBr M158830 [0,1,0,0,0,0|2,0,1]=4 391 B6R0.1 COC(=O)CCN A104532 [0,1,0,0,0,0|2,0,1]=4 392 B6R0.1 COC(=O)CCO D304149 [0,1,0,0,0,0|1,1,1]=4 393 B6R0.1 COC(=O)CCS M107600 [0,1,0,0,0,0|1,0,1]=3 394 B6R0.1 COCC(CCl)O C153895 [0,1,0,0,0,0|2,0,0]=3 395 B6R0.1 COCC(CN)O A479789 [0,1,0,0,0,0|2,0,0]=3 396 B6R0.1 COCC(CO)O M135227 [0,1,0,0,0,0|1,1,0]=3 397 B6R0.4 B(CCCC)(O)O B101013 [0,1,0,0,0,0|1,1,0]=3 398 B6R0.4 C(CC(=O)Cl)CBr B102197 [0,1,0,0,0,0|1,1,1]=4 399 B6R0.4 C(CC(=O)Cl)CCl C109449 [0,1,0,0,0,0|1,1,1]=4 400 B6R0.4 C(CC(=O)N)CCl C168978 [0,1,0,0,0,0|1,1,1]=4 401 B6R0.4 C(CC(=O)O)CBr B106907 [0,1,0,0,0,0|1,1,1]=4 402 B6R0.4 C(CC(=O)O)CCl C134513 [0,1,0,0,0,0|1,1,1]=4 403 B6R0.4 C(CC(=O)O)CN A104200 [0,1,0,0,0,0|1,1,1]=4 404 B6R0.4 C(CC(=O)O)CN A293557 [0,1,0,0,0,0|1,1,1]=4 405 B6R0.4 C(CC(=O)O)CN A424756 [0,1,0,0,0,0|1,1,1]=4 406 B6R0.4 C(CC(=O)O)CN A468499 [0,1,0,0,0,0|1,1,1]=4 407 B6R0.4 C(CC(=O)O)CN A472038 [0,1,0,0,0,0|1,1,1]=4 408 B6R0.4 C(CC(=O)O)CN G276591 [0,1,0,0,0,0|1,1,1]=4 409 B6R0.4 C(CN)C[P+](=O)O A275461 [0,1,0,0,0,0|2,1,0]=4 410 B6R0.4 C(C[N+](=O)[O-])CO N164462 [0,1,0,0,0,0|2,1,0]=4 411 B6R0.4 CC(=CCCBr)C B470663 [0,1,0,0,0,0|1,0,2]=4 412 B6R0.4 CC(=O)CCC=C H113634 [0,1,0,0,0,0|1,0,2]=4 413 B6R0.4 CC(=O)CCCBr B345087 [0,1,0,0,0,0|1,0,1]=3 414 B6R0.4 CC(=O)CCCCl C108070 [0,1,0,0,0,0|1,0,1]=3 415 B6R0.4 CC(=O)CCSC M135087 [0,1,0,0,0,0|1,1,1]=4 416 B6R0.4 CC(=O)NCCN A117219 [0,1,0,0,0,0|2,0,1]=4 417 B6R0.4 CC(=O)NCCO A112970 [0,1,0,0,0,0|1,1,1]=4 418 B6R0.4 CC(=O)NCCO A112971 [0,1,0,0,0,0|1,1,1]=4 419 B6R0.4 CC(=O)NCCS N347842 [0,1,0,0,0,0|1,0,1]=3 420 B6R0.4 CC(=O)OCCBr B102635 [0,1,0,0,0,0|2,0,1]=4 421 B6R0.4 CC(=O)OCCCl A140396 [0,1,0,0,0,0|2,0,1]=4 422 B6R0.4 CC(=O)OCCN A588049 [0,1,0,0,0,0|2,0,1]=4 423 B6R0.4 CC(=O)OCCO H156959 [0,1,0,0,0,0|1,1,1]=4 424 B6R0.4 CC(=O)SCCN T340735 [0,1,0,0,0,0|2,0,1]=4 425 B6R0.4 CC(C)CCC#N I157667 [0,1,0,0,0,0|1,0,1]=3 426 B6R0.4 CC(C)CCC=O M586390 [0,1,0,0,0,0|0,1,1]=3 427 B6R0.4 CC(C)CCCBr B152440 [0,1,0,0,0,0|1,0,0]=2 428 B6R0.4 CC(C)CCCO I136441 [0,1,0,0,0,0|0,1,0]=2 429 B6R0.4 CC(C)CN=C=S I140612 [0,1,0,0,0,0|1,0,2]=4 430 B6R0.4 CC(C)COC=C I109049 [0,1,0,0,0,0|2,0,1]=4 431 B6R0.4 CC(C)COC=C I109050 [0,1,0,0,0,0|2,0,1]=4 432 B6R0.4 CC(C)COC=O I141415 [0,1,0,0,0,0|1,1,1]=4 433 B6R0.4 CC(C)COC=O I432878 [0,1,0,0,0,0|1,1,1]=4 434 B6R0.4 CC(C)CON=O I157486 [0,1,0,0,0,0|2,1,0]=4 435 B6R0.4 CC(C)NCC=C N339371 [0,1,0,0,0,0|2,0,1]=4 436 B6R0.4 CC(C)NCCN N159348 [0,1,0,0,0,0|2,0,0]=3 437 B6R0.4 CC(C)NCCO I157482 [0,1,0,0,0,0|1,1,0]=3 438 B6R0.4 CC(C)NCCO I431393 [0,1,0,0,0,0|1,1,0]=3 439 B6R0.4 CC(C)OCCO I106814 [0,1,0,0,0,0|1,1,0]=3 440 B6R0.4 CC(CCCBr)Br D155307 [0,1,0,0,0,0|1,0,0]=2 441 B6R0.4 CC(CCCO)O P171240 [0,1,0,0,0,0|0,1,0]=2 442 B6R0.4 CCCCC(=N)N D305243 [0,1,0,0,0,0|1,0,1]=3 443 B6R0.4 CCCCC(=O)Br V162931 [0,1,0,0,0,0|0,1,1]=3 444 B6R0.4 CCCCC(=O)C H105743 [0,1,0,0,0,0|0,1,1]=3 445 B6R0.4 CCCCC(=O)C H105744 [0,1,0,0,0,0|0,1,1]=3 446 B6R0.4 CCCCC(=O)C H111491 [0,1,0,0,0,0|0,1,1]=3 447 B6R0.4 CCCCC(=O)C H141140 [0,1,0,0,0,0|0,1,1]=3 448 B6R0.4 CCCCC(=O)Cl V107241 [0,1,0,0,0,0|0,1,1]=3 449 B6R0.4 CCCCC(=O)N V162967 [0,1,0,0,0,0|0,1,1]=3 450 B6R0.4 CCCCC(=O)O V108269 [0,1,0,0,0,0|0,1,1]=3 451 B6R0.4 CCCCC(=O)O V108270 [0,1,0,0,0,0|0,1,1]=3 452 B6R0.4 CCCCC(=O)O V108271 [0,1,0,0,0,0|0,1,1]=3 453 B6R0.4 CCCCC(=O)O V108272 [0,1,0,0,0,0|0,1,1]=3 454 B6R0.4 CCCCC(=O)O V302252 [0,1,0,0,0,0|0,1,1]=3 455 B6R0.4 CCCCC(=O)[O-] S194180 [0,1,0,0,0,0|0,1,1]=3 456 B6R0.4 CCCCC(C)C M158516 [0,1,0,0,0,0|1,0,0]=2 457 B6R0.4 CCCCC(C)Cl C153661 [0,1,0,0,0,0|1,0,0]=2 458 B6R0.4 CCCCC(C)N B301374 [0,1,0,0,0,0|1,0,0]=2 459 B6R0.4 CCCCC(C)O H105565 [0,1,0,0,0,0|0,1,0]=2 460 B6R0.4 CCCCC(C)O I170762 [0,1,0,0,0,0|0,1,0]=2 461 B6R0.4 CCCCC(C)O R588494 [0,1,0,0,0,0|0,1,0]=2 462 B6R0.4 CCCCN(C)C D108036 [0,1,0,0,0,0|2,0,0]=3 463 B6R0.4 CCCC[N+](=O)[O-] N300420 [0,1,0,0,0,0|1,1,0]=3 464 B6R0.4 CCCC[Sn](=O)O M107696 [0,1,0,0,0,0|1,1,0]=3 465 B6R0.4 CCCNC(=O)N P589707 [0,1,0,0,0,0|1,1,1]=4 466 B6R0.4 CCCNC(=S)N P356262 [0,1,0,0,0,0|1,0,2]=4 467 B6R0.4 CCCOC(=O)C P103882 [0,1,0,0,0,0|1,1,1]=4 468 B6R0.4 CCCOC(=O)C P103883 [0,1,0,0,0,0|1,1,1]=4 469 B6R0.4 CCCOC(=O)N P194271 [0,1,0,0,0,0|1,1,1]=4 470 B6R0.4 CCCSC(=O)C S161333 [0,1,0,0,0,0|1,1,1]=4 471 B6R0.4 CCCSC(C)C I157608 [0,1,0,0,0,0|2,0,0]=3 472 B6R0.4 CCNCC(=O)O N159193 [0,1,0,0,0,0|1,1,1]=4 473 B6R0.4 CCOCC(=O)Cl E293992 [0,1,0,0,0,0|1,1,1]=4 474 B6R0.4 CCOCC(=O)O E156174 [0,1,0,0,0,0|1,1,1]=4 475 B6R0.4 CCOCC(C)O E110143 [0,1,0,0,0,0|1,1,0]=3 476 B6R0.4 CCSCC(=O)O E300419 [0,1,0,0,0,0|1,1,1]=4 477 B6R0.4 CN(C)CCC#N D135309 [0,1,0,0,0,0|2,0,1]=4 478 B6R0.4 CN(C)CCCBr B194072 [0,1,0,0,0,0|2,0,0]=3 479 B6R0.4 CN(C)CCCCl C353600 [0,1,0,0,0,0|2,0,0]=3 480 B6R0.4 CN(C)CCCCl D154697 [0,1,0,0,0,0|2,0,0]=3 481 B6R0.4 CN(C)CCCN D110909 [0,1,0,0,0,0|2,0,0]=3 482 B6R0.4 CN(C)CCCN N493682 [0,1,0,0,0,0|2,0,0]=3 483 B6R0.4 CN(C)CCCN N494190 [0,1,0,0,0,0|2,0,0]=3 484 B6R0.4 CN(C)CCCO D106344 [0,1,0,0,0,0|1,1,0]=3 485 B6R0.4 CNCCC(=O)O M183299 [0,1,0,0,0,0|1,1,1]=4 486 B6R0.4 CNCCN(C)C N159374 [0,1,0,0,0,0|3,0,0]=4 487 B6R0.4 CNCCN(C)C N192745 [0,1,0,0,0,0|3,0,0]=4 488 B6R0.4 COCCC(=O)O M169065 [0,1,0,0,0,0|1,1,1]=4 489 B6R0.4 CSCCC(=O)Cl M158416 [0,1,0,0,0,0|1,1,1]=4 490 B6R0.4 CSCCC(=O)O M158072 [0,1,0,0,0,0|1,1,1]=4 491 B6R0.6 C#CCCCC#C H102744 [0,1,0,0,0,0|1,0,2]=4 492 B6R0.6 C#CCCCC#N H468765 [0,1,0,0,0,0|1,0,2]=4 493 B6R0.6 C#CCCCCCl C154119 [0,1,0,0,0,0|1,0,1]=3 494 B6R0.6 C#CCCCCI I168988 [0,1,0,0,0,0|1,0,1]=3 495 B6R0.6 C#CCCCCN H586162 [0,1,0,0,0,0|1,0,1]=3 496 B6R0.6 C#CCCCCO H107735 [0,1,0,0,0,0|0,1,1]=3 497 B6R0.6 C#CCOCCI I587547 [0,1,0,0,0,0|1,0,2]=4 498 B6R0.6 C#CCOCCN P404874 [0,1,0,0,0,0|1,0,2]=4 499 B6R0.6 C#CCOCCO P189135 [0,1,0,0,0,0|0,1,2]=4 500 B6R0.6 C(CBr)NCCBr B184524 [0,1,0,0,0,0|2,0,0]=3 501 B6R0.6 C(CBr)OCCBr B122644 [0,1,0,0,0,0|2,0,0]=3 502 B6R0.6 C(CC#N)CC#N G156831 [0,1,0,0,0,0|1,0,2]=4 503 B6R0.6 C(CC=O)CC=O G105905 [0,1,0,0,0,0|0,1,2]=4 504 B6R0.6 C(CC=O)CC=O G105906 [0,1,0,0,0,0|0,1,2]=4 505 B6R0.6 C(CC=O)CC=O G105907 [0,1,0,0,0,0|0,1,2]=4 506 B6R0.6 C(CC=O)CC=O G105908 [0,1,0,0,0,0|0,1,2]=4 507 B6R0.6 C(CC=O)CC=O G359127 [0,1,0,0,0,0|0,1,2]=4 508 B6R0.6 C(CC=O)CC=O G598815 [0,1,0,0,0,0|0,1,2]=4 509 B6R0.6 C(CC=O)CC=O G639768 [0,1,0,0,0,0|0,1,2]=4 510 B6R0.6 C(CCBr)CC#N B124218 [0,1,0,0,0,0|1,0,1]=3 511 B6R0.6 C(CCBr)CCBr D106538 [0,1,0,0,0,0|1,0,0]=2 512 B6R0.6 C(CCCl)CC#N C153827 [0,1,0,0,0,0|1,0,1]=3 513 B6R0.6 C(CCCl)CCBr B109691 [0,1,0,0,0,0|1,0,0]=2 514 B6R0.6 C(CCCl)CCCl D105687 [0,1,0,0,0,0|1,0,0]=2 515 B6R0.6 C(CCF)CCBr B303673 [0,1,0,0,0,0|1,0,0]=2 516 B6R0.6 C(CCI)CCI D155300 [0,1,0,0,0,0|1,0,0]=2 517 B6R0.6 C(CCN)CCN D111805 [0,1,0,0,0,0|1,0,0]=2 518 B6R0.6 C(CCN)CCN D121817 [0,1,0,0,0,0|1,0,0]=2 519 B6R0.6 C(CCN)CCN D283638 [0,1,0,0,0,0|1,0,0]=2 520 B6R0.6 C(CCN)CCN D421724 [0,1,0,0,0,0|1,0,0]=2 521 B6R0.6 C(CCN)CCO A107210 [0,1,0,0,0,0|0,1,0]=2 522 B6R0.6 C(CCN)CCO A565375 [0,1,0,0,0,0|0,1,0]=2 523 B6R0.6 C(CCO)CCBr B135090 [0,1,0,0,0,0|0,1,0]=2 524 B6R0.6 C(CCO)CCCl C153897 [0,1,0,0,0,0|0,1,0]=2 525 B6R0.6 C(CCO)CCO P105588 [0,1,0,0,0,0|0,1,0]=2 526 B6R0.6 C(CCS)CCS P102332 [0,1,0,0,0,0|0,0,0]=1 527 B6R0.6 C(CCl)NCCCl B109734 [0,1,0,0,0,0|2,0,0]=3 528 B6R0.6 C(CCl)OCCCl C107457 [0,1,0,0,0,0|2,0,0]=3 529 B6R0.6 C(CN)CN=[N+]=[N-] A151380 [0,1,0,0,0,0|3,0,0]=4 530 B6R0.6 C(CN=C=O)CCl C107897 [0,1,0,0,0,0|1,1,1]=4 531 B6R0.6 C(CN=[N+]=[N-])CO A464136 [0,1,0,0,0,0|2,1,0]=4 532 B6R0.6 C(CNCCN)N D100056 [0,1,0,0,0,0|2,0,0]=3 533 B6R0.6 C(CNCCN)N D100058 [0,1,0,0,0,0|2,0,0]=3 534 B6R0.6 C(CNCCN)N D100059 [0,1,0,0,0,0|2,0,0]=3 535 B6R0.6 C(CNCCN)N D301794 [0,1,0,0,0,0|2,0,0]=3 536 B6R0.6 C(CNCCO)N H100512 [0,1,0,0,0,0|1,1,0]=3 537 B6R0.6 C(CNCCO)N H100513 [0,1,0,0,0,0|1,1,0]=3 538 B6R0.6 C(CO)NCCCl C588449 [0,1,0,0,0,0|1,1,0]=3 539 B6R0.6 C(CO)NCCO D112357 [0,1,0,0,0,0|1,1,0]=3 540 B6R0.6 C(CO)NCCO D112358 [0,1,0,0,0,0|1,1,0]=3 541 B6R0.6 C(CO)NCCO D112360 [0,1,0,0,0,0|1,1,0]=3 542 B6R0.6 C(CO)NCCO D112361 [0,1,0,0,0,0|1,1,0]=3 543 B6R0.6 C(CO)NCCO D155708 [0,1,0,0,0,0|1,1,0]=3 544 B6R0.6 C(CO)NCCO D301793 [0,1,0,0,0,0|1,1,0]=3 545 B6R0.6 C(COCCBr)O B339979 [0,1,0,0,0,0|1,1,0]=3 546 B6R0.6 C(COCCCl)O C118686 [0,1,0,0,0,0|1,1,0]=3 547 B6R0.6 C(COCCI)O I586943 [0,1,0,0,0,0|1,1,0]=3 548 B6R0.6 C(COCCN)N O159975 [0,1,0,0,0,0|2,0,0]=3 549 B6R0.6 C(COCCN)N O160013 [0,1,0,0,0,0|2,0,0]=3 550 B6R0.6 C(COCCO)N A109910 [0,1,0,0,0,0|1,1,0]=3 551 B6R0.6 C(COCCO)N A301832 [0,1,0,0,0,0|1,1,0]=3 552 B6R0.6 C(COCCO)O D110831 [0,1,0,0,0,0|1,1,0]=3 553 B6R0.6 C(COCCO)O D110832 [0,1,0,0,0,0|1,1,0]=3 554 B6R0.6 C(COCCO)O D110833 [0,1,0,0,0,0|1,1,0]=3 555 B6R0.6 C(COCCO)O D110834 [0,1,0,0,0,0|1,1,0]=3 556 B6R0.6 C(COCCO)O D476199 [0,1,0,0,0,0|1,1,0]=3 557 B6R0.6 C(CON)CON O340897 [0,1,0,0,0,0|2,1,0]=4 558 B6R0.6 C(CS)OCCS B152747 [0,1,0,0,0,0|1,0,0]=2 559 B6R0.6 C(CSCCS)S B152744 [0,1,0,0,0,0|1,0,0]=2 560 B6R0.6 C=CCCCC#N H157042 [0,1,0,0,0,0|1,0,2]=4 561 B6R0.6 C=CCCCC=C H157269 [0,1,0,0,0,0|1,0,2]=4 562 B6R0.6 C=CCCCCBr B122541 [0,1,0,0,0,0|1,0,1]=3 563 B6R0.6 C=CCCCCCl C115790 [0,1,0,0,0,0|1,0,1]=3 564 B6R0.6 C=CCCCCO H113637 [0,1,0,0,0,0|0,1,1]=3 565 B6R0.6 C=CCOCCO A303300 [0,1,0,0,0,0|0,1,2]=4 566 B6R0.6 C=CCOCCO A303301 [0,1,0,0,0,0|0,1,2]=4 567 B6R0.6 C=CCOCCO E156080 [0,1,0,0,0,0|0,1,2]=4 568 B6R0.6 CC=CCCCO H300983 [0,1,0,0,0,0|0,1,1]=3 569 B6R0.6 CCC#CCCO H157360 [0,1,0,0,0,0|0,1,1]=3 570 B6R0.6 CCC=CCCO C426965 [0,1,0,0,0,0|0,1,1]=3 571 B6R0.6 CCC=CCCO H112690 [0,1,0,0,0,0|0,1,1]=3 572 B6R0.6 CCC=CCCO L106205 [0,1,0,0,0,0|0,1,1]=3 573 B6R0.6 CCCC#CCO H157375 [0,1,0,0,0,0|0,1,1]=3 574 B6R0.6 CCCC=CC=O H107633 [0,1,0,0,0,0|0,1,2]=4 575 B6R0.6 CCCC=CC=O T425385 [0,1,0,0,0,0|0,1,2]=4 576 B6R0.6 CCCC=CCO C153482 [0,1,0,0,0,0|0,1,1]=3 577 B6R0.6 CCCC=CCO H102077 [0,1,0,0,0,0|0,1,1]=3 578 B6R0.6 CCCCCC#C H100842 [0,1,0,0,0,0|1,0,0]=2 579 B6R0.6 CCCCCC#N H157040 [0,1,0,0,0,0|1,0,0]=2 580 B6R0.6 CCCCCC=C H110653 [0,1,0,0,0,0|1,0,0]=2 581 B6R0.6 CCCCCC=C H110654 [0,1,0,0,0,0|1,0,0]=2 582 B6R0.6 CCCCCC=C H110655 [0,1,0,0,0,0|1,0,0]=2 583 B6R0.6 CCCCCC=O C109199 [0,1,0,0,0,0|0,1,0]=2 584 B6R0.6 CCCCCC=O C109200 [0,1,0,0,0,0|0,1,0]=2 585 B6R0.6 CCCCCCBr B105244 [0,1,0,0,0,0|1,0,0]=2 586 B6R0.6 CCCCCCBr B471923 [0,1,0,0,0,0|1,0,0]=2 587 B6R0.6 CCCCCCC H108102 [0,1,0,0,0,0|1,0,0]=2 588 B6R0.6 CCCCCCC H108103 [0,1,0,0,0,0|1,0,0]=2 589 B6R0.6 CCCCCCC H108105 [0,1,0,0,0,0|1,0,0]=2 590 B6R0.6 CCCCCCC H108108 [0,1,0,0,0,0|1,0,0]=2 591 B6R0.6 CCCCCCC H108111 [0,1,0,0,0,0|1,0,0]=2 592 B6R0.6 CCCCCCC H108112 [0,1,0,0,0,0|1,0,0]=2 593 B6R0.6 CCCCCCC H118382 [0,1,0,0,0,0|1,0,0]=2 594 B6R0.6 CCCCCCC H119701 [0,1,0,0,0,0|1,0,0]=2 595 B6R0.6 CCCCCCCl C109280 [0,1,0,0,0,0|1,0,0]=2 596 B6R0.6 CCCCCCCl C109281 [0,1,0,0,0,0|1,0,0]=2 597 B6R0.6 CCCCCCI I157578 [0,1,0,0,0,0|1,0,0]=2 598 B6R0.6 CCCCCCN H105333 [0,1,0,0,0,0|1,0,0]=2 599 B6R0.6 CCCCCCN H157035 [0,1,0,0,0,0|1,0,0]=2 600 B6R0.6 CCCCCCN H292813 [0,1,0,0,0,0|1,0,0]=2 601 B6R0.6 CCCCCCN H491868 [0,1,0,0,0,0|1,0,0]=2 602 B6R0.6 CCCCCCO H103420 [0,1,0,0,0,0|0,1,0]=2 603 B6R0.6 CCCCCCO H103421 [0,1,0,0,0,0|0,1,0]=2 604 B6R0.6 CCCCCCO H103422 [0,1,0,0,0,0|0,1,0]=2 605 B6R0.6 CCCCCCO H103423 [0,1,0,0,0,0|0,1,0]=2 606 B6R0.6 CCCCCCO H119678 [0,1,0,0,0,0|0,1,0]=2 607 B6R0.6 CCCCCCS H100786 [0,1,0,0,0,0|0,0,0]=1 608 B6R0.6 CCCCCCS H299109 [0,1,0,0,0,0|0,0,0]=1 609 B6R0.6 CCCCCC[NH3+] H292817 [0,1,0,0,0,0|1,0,0]=2 610 B6R0.6 CCCCCC[NH3+] H492547 [0,1,0,0,0,0|1,0,0]=2 611 B6R0.6 CCCCCC[Si] H357381 [0,1,0,0,0,0|1,0,0]=2 612 B6R0.6 CCCCCNC M124210 [0,1,0,0,0,0|1,0,0]=2 613 B6R0.6 CCCCCSC A151354 [0,1,0,0,0,0|0,0,0]=1 614 B6R0.6 CCCCN=C=S B111865 [0,1,0,0,0,0|0,0,2]=3 615 B6R0.6 CCCCNCC N158928 [0,1,0,0,0,0|1,0,0]=2 616 B6R0.6 CCCCOC=C B123186 [0,1,0,0,0,0|1,0,1]=3 617 B6R0.6 CCCCOC=C B123187 [0,1,0,0,0,0|1,0,1]=3 618 B6R0.6 CCCCOC=O B109260 [0,1,0,0,0,0|0,1,1]=3 619 B6R0.6 CCCCOC=O B109261 [0,1,0,0,0,0|0,1,1]=3 620 B6R0.6 CCCCON=O B134686 [0,1,0,0,0,0|1,1,0]=3 621 B6R0.6 CCCCSCC B152507 [0,1,0,0,0,0|1,0,0]=2 622 B6R0.6 CCCNCCC D100329 [0,1,0,0,0,0|1,0,0]=2 623 B6R0.6 CCCNCCC D100330 [0,1,0,0,0,0|1,0,0]=2 624 B6R0.6 CCCNCCC D154684 [0,1,0,0,0,0|1,0,0]=2 625 B6R0.6 CCCNCCC D404364 [0,1,0,0,0,0|1,0,0]=2 626 B6R0.6 CCCNCCN N336391 [0,1,0,0,0,0|1,0,0]=2 627 B6R0.6 CCCOCCC P160596 [0,1,0,0,0,0|1,0,0]=2 628 B6R0.6 CCCOCCCl C137234 [0,1,0,0,0,0|1,0,0]=2 629 B6R0.6 CCCOCCN P160362 [0,1,0,0,0,0|1,0,0]=2 630 B6R0.6 CCCOCCO P107659 [0,1,0,0,0,0|0,1,0]=2 631 B6R0.6 CCCOCCO P299319 [0,1,0,0,0,0|0,1,0]=2 632 B6R0.6 CCCSCC=C A135608 [0,1,0,0,0,0|1,0,1]=3 633 B6R0.6 CCCSCCC D102909 [0,1,0,0,0,0|1,0,0]=2 634 B6R0.6 CCNCCCO E300231 [0,1,0,0,0,0|0,1,0]=2 635 B6R0.6 CCOCCC#N E132079 [0,1,0,0,0,0|1,0,1]=3 636 B6R0.6 CCOCCCN E156297 [0,1,0,0,0,0|1,0,0]=2 637 B6R0.6 CCOCCCO E108059 [0,1,0,0,0,0|0,1,0]=2 638 B6R0.6 CCOCCOC E331012 [0,1,0,0,0,0|1,1,0]=3 639 B6R0.6 CCOCOCC D109106 [0,1,0,0,0,0|2,0,0]=3 640 B6R0.6 CCOCOCC D139939 [0,1,0,0,0,0|2,0,0]=3 641 B6R0.6 CCO[Sn]OCC T282972 [0,1,0,0,0,0|3,0,0]=4 642 B6R0.6 CCSCCCO E300079 [0,1,0,0,0,0|0,1,0]=2 643 B6R0.6 CCSSSCC D405733 [0,1,0,0,0,0|3,0,0]=4 644 B6R0.6 CNCCCCO M193351 [0,1,0,0,0,0|0,1,0]=2 645 B6R0.6 CNCCCNC D124206 [0,1,0,0,0,0|2,0,0]=3 646 B6R0.6 COCCCCBr B152834 [0,1,0,0,0,0|1,0,0]=2 647 B6R0.6 COCCCCO B152046 [0,1,0,0,0,0|0,1,0]=2 648 B6R0.6 COCCN=C=S M300207 [0,1,0,0,0,0|1,0,2]=4 649 B6R0.6 COCCOCCl M113466 [0,1,0,0,0,0|2,0,0]=3 650 B6R0.6 COCOCCBr B165961 [0,1,0,0,0,0|2,0,0]=3 651 B6R0.6 CSCCCCO M468928 [0,1,0,0,0,0|0,1,0]=2 652 B6R1.1 C1CC=COC1 D106433 [0,0,0,1,0,0|0,1,2]=4 653 B6R1.1 C1CCC=CC1 C112737 [0,0,0,1,0,0|1,0,1]=3 654 B6R1.1 C1CCC=CC1 C112738 [0,0,0,1,0,0|1,0,1]=3 655 B6R1.1 C1CCC=CC1 C118621 [0,0,0,1,0,0|1,0,1]=3 656 B6R1.1 C1CCCCC1 C100583 [0,0,0,1,0,0|1,0,0]=2 657 B6R1.1 C1CCCCC1 C100584 [0,0,0,1,0,0|1,0,0]=2 658 B6R1.1 C1CCCCC1 C100585 [0,0,0,1,0,0|1,0,0]=2 659 B6R1.1 C1CCCCC1 C100586 [0,0,0,1,0,0|1,0,0]=2 660 B6R1.1 C1CCCCC1 C100587 [0,0,0,1,0,0|1,0,0]=2 661 B6R1.1 C1CCCCC1 C119462 [0,0,0,1,0,0|1,0,0]=2 662 B6R1.1 C1CCCCC1 C305176 [0,0,0,1,0,0|1,0,0]=2 663 B6R1.1 C1CCCCC1 C431457 [0,0,0,1,0,0|1,0,0]=2 664 B6R1.1 C1CCNCC1 P194173 [0,0,0,1,0,0|1,0,0]=2 665 B6R1.1 C1CCNCC1 P492785 [0,0,0,1,0,0|1,0,0]=2 666 B6R1.1 C1CCOCC1 T100998 [0,0,0,1,0,0|0,1,0]=2 667 B6R1.1 C1CCOCC1 T298966 [0,0,0,1,0,0|0,1,0]=2 668 B6R1.1 C1CC[NH2+]CC1 P193473 [0,0,0,1,0,0|1,0,0]=2 669 B6R1.1 C1CNC=NC1 T132007 [0,0,0,1,0,0|2,0,1]=4 670 B6R1.1 C1CNCC=C1 T168116 [0,0,0,1,0,0|1,0,2]=4 671 B6R1.1 C1CNCCN1 P105274 [0,0,0,1,0,0|2,0,0]=3 672 B6R1.1 C1CNCCN1 P105279 [0,0,0,1,0,0|2,0,0]=3 673 B6R1.1 C1CNCCN1 P105280 [0,0,0,1,0,0|2,0,0]=3 674 B6R1.1 C1CNCCN1 P160640 [0,0,0,1,0,0|2,0,0]=3 675 B6R1.1 C1CNCCN1 P160723 [0,0,0,1,0,0|2,0,0]=3 676 B6R1.1 C1CNCCN1 P160724 [0,0,0,1,0,0|2,0,0]=3 677 B6R1.1 C1CNCCN1 P189055 [0,0,0,1,0,0|2,0,0]=3 678 B6R1.1 C1CNCCN1 P494142 [0,0,0,1,0,0|2,0,0]=3 679 B6R1.1 C1COCCN1 B135840 [0,0,0,1,0,0|1,1,0]=3 680 B6R1.1 C1COCCN1 M109058 [0,0,0,1,0,0|1,1,0]=3 681 B6R1.1 C1COCCN1 M109059 [0,0,0,1,0,0|1,1,0]=3 682 B6R1.1 C1COCCN1 M109060 [0,0,0,1,0,0|1,1,0]=3 683 B6R1.1 C1COCCN1 M109061 [0,0,0,1,0,0|1,1,0]=3 684 B6R1.1 C1COCCN1 M109062 [0,0,0,1,0,0|1,1,0]=3 685 B6R1.1 C1COCCN1 M109063 [0,0,0,1,0,0|1,1,0]=3 686 B6R1.1 C1COCCN1 M404758 [0,0,0,1,0,0|1,1,0]=3 687 B6R1.1 C1COCCN1 M405755 [0,0,0,1,0,0|1,1,0]=3 688 B6R1.1 C1COCCN1 M493696 [0,0,0,1,0,0|1,1,0]=3 689 B6R1.1 C1COCCN1 M493905 [0,0,0,1,0,0|1,1,0]=3 690 B6R1.1 C1COCCO1 D116156 [0,0,0,1,0,0|1,1,0]=3 691 B6R1.1 C1COCCO1 D116157 [0,0,0,1,0,0|1,1,0]=3 692 B6R1.1 C1COCCO1 D116158 [0,0,0,1,0,0|1,1,0]=3 693 B6R1.1 C1COCCO1 D116159 [0,0,0,1,0,0|1,1,0]=3 694 B6R1.1 C1COCCO1 D116160 [0,0,0,1,0,0|1,1,0]=3 695 B6R1.1 C1COCCO1 D116161 [0,0,0,1,0,0|1,1,0]=3 696 B6R1.1 C1COCCO1 D116162 [0,0,0,1,0,0|1,1,0]=3 697 B6R1.1 C1COCCO1 D116163 [0,0,0,1,0,0|1,1,0]=3 698 B6R1.1 C1COCCO1 D118381 [0,0,0,1,0,0|1,1,0]=3 699 B6R1.1 C1COCCO1 D431641 [0,0,0,1,0,0|1,1,0]=3 700 B6R1.1 C1COCOC1 D155920 [0,0,0,1,0,0|1,1,0]=3 701 B6R1.1 C1CSCCN1 T111124 [0,0,0,1,0,0|1,0,0]=2 702 B6R1.1 C1CSCCO1 T161635 [0,0,0,1,0,0|1,0,0]=2 703 B6R1.1 C1CSCCS1 D140294 [0,0,0,1,0,0|1,0,0]=2 704 B6R1.1 C1CSCSC1 D124194 [0,0,0,1,0,0|1,0,0]=2 705 B6R1.1 C1SCSCS1 T162310 [0,0,0,1,0,0|2,0,0]=3 706 B6R1.2 C1C=CCC1O C141167 [0,0,0,1,0,0|0,1,2]=4 707 B6R1.2 C1CC(=N)SC1 I106793 [0,0,0,1,0,0|1,0,1]=3 708 B6R1.2 C1CC(=N)SC1 I492458 [0,0,0,1,0,0|1,0,1]=3 709 B6R1.2 C1CC(=NC1)N A151483 [0,0,0,1,0,0|2,0,1]=4 710 B6R1.2 C1CC(=O)NC1 P112692 [0,0,0,1,0,0|1,1,1]=4 711 B6R1.2 C1CC(=O)NC1 P468968 [0,0,0,1,0,0|1,1,1]=4 712 B6R1.2 C1CC(=O)SC1 T472178 [0,0,0,1,0,0|1,0,1]=3 713 B6R1.2 C1CC(OC1)O H355199 [0,0,0,1,0,0|1,1,0]=3 714 B6R1.2 C1CCC(=O)C1 C108566 [0,0,0,1,0,0|0,1,1]=3 715 B6R1.2 C1CCC(=O)C1 C108567 [0,0,0,1,0,0|0,1,1]=3 716 B6R1.2 C1CCC(=O)C1 C108568 [0,0,0,1,0,0|0,1,1]=3 717 B6R1.2 C1CCC(=O)C1 C108569 [0,0,0,1,0,0|0,1,1]=3 718 B6R1.2 C1CCC(C1)Br C105791 [0,0,0,1,0,0|1,0,0]=2 719 B6R1.2 C1CCC(C1)Cl C153546 [0,0,0,1,0,0|1,0,0]=2 720 B6R1.2 C1CCC(C1)F F156721 [0,0,0,1,0,0|1,0,0]=2 721 B6R1.2 C1CCC(C1)I I167554 [0,0,0,1,0,0|1,0,0]=2 722 B6R1.2 C1CCC(C1)N C111427 [0,0,0,1,0,0|1,0,0]=2 723 B6R1.2 C1CCC(C1)O C110398 [0,0,0,1,0,0|0,1,0]=2 724 B6R1.2 C1CCC(C1)S C106982 [0,0,0,1,0,0|0,0,0]=1 725 B6R1.2 C1CCS(=O)C1 T162808 [0,0,0,1,0,0|1,1,0]=3 726 B6R1.2 C1CNCC1=O P176320 [0,0,0,1,0,0|1,1,1]=4 727 B6R1.2 C1CNCC1Br B166798 [0,0,0,1,0,0|2,0,0]=3 728 B6R1.2 C1CNCC1F I167099 [0,0,0,1,0,0|2,0,0]=3 729 B6R1.2 C1CNCC1F I167100 [0,0,0,1,0,0|2,0,0]=3 730 B6R1.2 C1CNCC1N A128215 [0,0,0,1,0,0|2,0,0]=3 731 B6R1.2 C1CNCC1N R115472 [0,0,0,1,0,0|2,0,0]=3 732 B6R1.2 C1CNCC1N S115473 [0,0,0,1,0,0|2,0,0]=3 733 B6R1.2 C1CNCC1O H115463 [0,0,0,1,0,0|1,1,0]=3 734 B6R1.2 C1CNCC1O H187203 [0,0,0,1,0,0|1,1,0]=3 735 B6R1.2 C1CNCC1O P121669 [0,0,0,1,0,0|1,1,0]=3 736 B6R1.2 C1CNCC1O P128587 [0,0,0,1,0,0|1,1,0]=3 737 B6R1.2 C1CNCC1O S115471 [0,0,0,1,0,0|1,1,0]=3 738 B6R1.2 C1CNCC1O S161346 [0,0,0,1,0,0|1,1,0]=3 739 B6R1.2 C1COCC1=O T161567 [0,0,0,1,0,0|1,1,1]=4 740 B6R1.2 C1COCC1Br B175379 [0,0,0,1,0,0|2,0,0]=3 741 B6R1.2 C1COCC1I I172597 [0,0,0,1,0,0|2,0,0]=3 742 B6R1.2 C1COCC1N A120073 [0,0,0,1,0,0|2,0,0]=3 743 B6R1.2 C1COCC1N I165729 [0,0,0,1,0,0|2,0,0]=3 744 B6R1.2 C1COCC1N S135580 [0,0,0,1,0,0|2,0,0]=3 745 B6R1.2 C1COCC1N T123495 [0,0,0,1,0,0|2,0,0]=3 746 B6R1.2 C1COCC1O H107942 [0,0,0,1,0,0|1,1,0]=3 747 B6R1.2 C1COCC1O H110275 [0,0,0,1,0,0|1,1,0]=3 748 B6R1.2 C1COCC1O H119958 [0,0,0,1,0,0|1,1,0]=3 749 B6R1.2 C1CSC(=N1)N A305205 [0,0,0,1,0,0|2,0,1]=4 750 B6R1.2 C1CSC(=O)N1 T192435 [0,0,0,1,0,0|2,0,1]=4 751 B6R1.2 C1CSC(=S)N1 T122399 [0,0,0,1,0,0|2,0,1]=4 752 B6R1.2 C1CSC(=S)S1 E124195 [0,0,0,1,0,0|2,0,1]=4 753 B6R1.2 C1CSCC1=O D106839 [0,0,0,1,0,0|1,1,1]=4 754 B6R1.2 C=C1CCCC1 M158228 [0,0,0,1,0,0|1,0,1]=3 755 B6R1.2 CC1=CCCC1 M158230 [0,0,0,1,0,0|1,0,1]=3 756 B6R1.2 CC1=NCCC1 M187405 [0,0,0,1,0,0|1,0,1]=3 757 B6R1.2 CC1=NCCN1 M158525 [0,0,0,1,0,0|2,0,1]=4 758 B6R1.2 CC1=NCCO1 M158497 [0,0,0,1,0,0|1,1,1]=4 759 B6R1.2 CC1=NCCS1 M103076 [0,0,0,1,0,0|1,0,1]=3 760 B6R1.2 CC1CCCC1 M101586 [0,0,0,1,0,0|1,0,0]=2 761 B6R1.2 CC1CCCC1 M101587 [0,0,0,1,0,0|1,0,0]=2 762 B6R1.2 CC1CCCC1 M101588 [0,0,0,1,0,0|1,0,0]=2 763 B6R1.2 CC1CCCN1 M121645 [0,0,0,1,0,0|1,0,0]=2 764 B6R1.2 CC1CCCN1 M341863 [0,0,0,1,0,0|1,0,0]=2 765 B6R1.2 CC1CCCN1 R173510 [0,0,0,1,0,0|1,0,0]=2 766 B6R1.2 CC1CCCN1 S589595 [0,0,0,1,0,0|1,0,0]=2 767 B6R1.2 CC1CCCO1 M106688 [0,0,0,1,0,0|0,1,0]=2 768 B6R1.2 CC1CCCO1 M106689 [0,0,0,1,0,0|0,1,0]=2 769 B6R1.2 CC1CCCO1 M119683 [0,0,0,1,0,0|0,1,0]=2 770 B6R1.2 CC1CCCO1 M298963 [0,0,0,1,0,0|0,1,0]=2 771 B6R1.2 CC1CCCS1 M138391 [0,0,0,1,0,0|0,0,0]=1 772 B6R1.2 CC1CCNC1 S175305 [0,0,0,1,0,0|2,0,0]=3 773 B6R1.2 CC1CCOC1 M302425 [0,0,0,1,0,0|2,0,0]=3 774 B6R1.2 CC1COCO1 M158513 [0,0,0,1,0,0|1,1,0]=3 775 B6R1.2 CC1OCCO1 M157785 [0,0,0,1,0,0|1,1,0]=3 776 B6R1.2 CN1CCCC1 M109523 [0,0,0,1,0,0|2,0,0]=3 777 B6R1.2 [CH2-]C1OCCO1 D465905 [0,0,0,1,0,0|1,1,1]=4 778 B6R1.3 C1C(O1)CCBr D302399 [0,0,0,1,0,0|1,1,0]=3 779 B6R1.3 C1CC1CC#N C339744 [0,0,0,1,0,0|1,0,1]=3 780 B6R1.3 C1CC1CCI I176162 [0,0,0,1,0,0|1,0,0]=2 781 B6R1.3 C1CC1CON O194839 [0,0,0,1,0,0|2,0,0]=3 782 B6R1.3 C1CC1N=C=O I184669 [0,0,0,1,0,0|1,1,1]=4 783 B6R1.3 C1CC1N=C=S C140532 [0,0,0,1,0,0|1,0,2]=4 784 B6R1.3 C1CN1CCO H157166 [0,0,0,1,0,0|1,1,0]=3 785 B6R1.3 CCCC1CO1 E156390 [0,0,0,1,0,0|0,1,0]=2 786 B6R1.3 COCC1CO1 G156840 [0,0,0,1,0,0|1,1,0]=3 787 B6R1.3 COCC1CO1 R160880 [0,0,0,1,0,0|1,1,0]=3 788 B6R1.3 COCC1CO1 S139136 [0,0,0,1,0,0|1,1,0]=3 789 B6R1.6 C1C(CN1)C#N A176201 [0,0,0,1,0,0|2,0,1]=4 790 B6R1.6 C1C(CN1)CO A124078 [0,0,0,1,0,0|1,1,0]=3 791 B6R1.6 C1C(CO1)C=O O173275 [0,0,0,1,0,0|1,1,1]=4 792 B6R1.6 C1C(CO1)CN A171234 [0,0,0,1,0,0|2,0,0]=3 793 B6R1.6 C1C(CO1)CO O176971 [0,0,0,1,0,0|1,1,0]=3 794 B6R1.6 C1CC(C1)C#N C479085 [0,0,0,1,0,0|1,0,1]=3 795 B6R1.6 C1CC(C1)CBr B119331 [0,0,0,1,0,0|1,0,0]=2 796 B6R1.6 C1CC(C1)CN C176494 [0,0,0,1,0,0|1,0,0]=2 797 B6R1.6 C1CC(C1)CN C176749 [0,0,0,1,0,0|1,0,0]=2 798 B6R1.6 C1CC(C1)CO C120878 [0,0,0,1,0,0|0,1,0]=2 799 B6R1.6 C1COC1CN S588071 [0,0,0,1,0,0|1,1,0]=3 800 B6R1.6 C1COC1CO H157030 [0,0,0,1,0,0|1,1,0]=3 801 B6R1.6 CNC1COC1 N178478 [0,0,0,1,0,0|3,0,0]=4 802 B6R1.6 COC1CNC1 M123270 [0,0,0,1,0,0|3,0,0]=4 803 B3R0.1 C(CBr)Cl B106996 [2,0,0,0,0,0|2,0,0]=4 804 B3R0.1 C(CBr)N B109291 [2,0,0,0,0,0|2,0,0]=4 805 B3R0.1 C(CBr)O B111177 [2,0,0,0,0,0|1,1,0]=4 806 B3R0.1 C(CBr)O B111178 [2,0,0,0,0,0|1,1,0]=4 807 B3R0.1 C(CBr)O B136478 [2,0,0,0,0,0|1,1,0]=4 808 B3R0.1 C(CCl)Cl D115109 [2,0,0,0,0,0|2,0,0]=4 809 B3R0.1 C(CCl)Cl D116246 [2,0,0,0,0,0|2,0,0]=4 810 B3R0.1 C(CCl)Cl D116247 [2,0,0,0,0,0|2,0,0]=4 811 B3R0.1 C(CCl)Cl D116248 [2,0,0,0,0,0|2,0,0]=4 812 B3R0.1 C(CCl)Cl D116249 [2,0,0,0,0,0|2,0,0]=4 813 B3R0.1 C(CCl)Cl D116251 [2,0,0,0,0,0|2,0,0]=4 814 B3R0.1 C(CCl)Cl D116253 [2,0,0,0,0,0|2,0,0]=4 815 B3R0.1 C(CCl)Cl D119458 [2,0,0,0,0,0|2,0,0]=4 816 B3R0.1 C(CCl)Cl D128127 [2,0,0,0,0,0|2,0,0]=4 817 B3R0.1 C(CCl)Cl D431341 [2,0,0,0,0,0|2,0,0]=4 818 B3R0.1 C(CCl)N C107599 [2,0,0,0,0,0|2,0,0]=4 819 B3R0.1 C(CF)N F138873 [2,0,0,0,0,0|2,0,0]=4 820 B3R0.1 C(CF)O F110315 [2,0,0,0,0,0|1,1,0]=4 821 B3R0.1 C(CI)Cl C140416 [2,0,0,0,0,0|2,0,0]=4 822 B3R0.1 C(CI)F F194951 [2,0,0,0,0,0|2,0,0]=4 823 B3R0.1 C(CI)I D155311 [2,0,0,0,0,0|2,0,0]=4 824 B3R0.1 C(CI)O I137311 [2,0,0,0,0,0|1,1,0]=4 825 B3R0.1 C(CI)O I575056 [2,0,0,0,0,0|1,1,0]=4 826 B3R0.1 C(CN)N D129174 [2,0,0,0,0,0|2,0,0]=4 827 B3R0.1 C(CN)N D189014 [2,0,0,0,0,0|2,0,0]=4 828 B3R0.1 C(CN)N E108437 [2,0,0,0,0,0|2,0,0]=4 829 B3R0.1 C(CN)N E112132 [2,0,0,0,0,0|2,0,0]=4 830 B3R0.1 C(CN)N E112640 [2,0,0,0,0,0|2,0,0]=4 831 B3R0.1 C(CN)N E112642 [2,0,0,0,0,0|2,0,0]=4 832 B3R0.1 C(CN)N E112643 [2,0,0,0,0,0|2,0,0]=4 833 B3R0.1 C(CN)N E137281 [2,0,0,0,0,0|2,0,0]=4 834 B3R0.1 C(CN)N E156113 [2,0,0,0,0,0|2,0,0]=4 835 B3R0.1 C(CN)N E431349 [2,0,0,0,0,0|2,0,0]=4 836 B3R0.1 C(CN)N E468771 [2,0,0,0,0,0|2,0,0]=4 837 B3R0.1 C(CN)N E472137 [2,0,0,0,0,0|2,0,0]=4 838 B3R0.1 C(CN)N E492758 [2,0,0,0,0,0|2,0,0]=4 839 B3R0.1 C(CN)N E492761 [2,0,0,0,0,0|2,0,0]=4 840 B3R0.1 C(CN)N E492905 [2,0,0,0,0,0|2,0,0]=4 841 B3R0.1 C(CN)N P121256 [2,0,0,0,0,0|2,0,0]=4 842 B3R0.1 C(CO)N A301834 [2,0,0,0,0,0|1,1,0]=4 843 B3R0.1 C(CO)N E103802 [2,0,0,0,0,0|1,1,0]=4 844 B3R0.1 C(CO)N E103806 [2,0,0,0,0,0|1,1,0]=4 845 B3R0.1 C(CO)N E103808 [2,0,0,0,0,0|1,1,0]=4 846 B3R0.1 C(CO)N E103809 [2,0,0,0,0,0|1,1,0]=4 847 B3R0.1 C(CO)N E103810 [2,0,0,0,0,0|1,1,0]=4 848 B3R0.1 C(CO)N E120635 [2,0,0,0,0,0|1,1,0]=4 849 B3R0.1 C(CO)N E292771 [2,0,0,0,0,0|1,1,0]=4 850 B3R0.1 C(CO)N E292783 [2,0,0,0,0,0|1,1,0]=4 851 B3R0.1 C(CO)N E301792 [2,0,0,0,0,0|1,1,0]=4 852 B3R0.1 C(CO)N E422436 [2,0,0,0,0,0|1,1,0]=4 853 B3R0.1 C(CO)N E491883 [2,0,0,0,0,0|1,1,0]=4 854 B3R0.1 C(CO)O E103318 [2,0,0,0,0,0|1,1,0]=4 855 B3R0.1 C(CO)O E103319 [2,0,0,0,0,0|1,1,0]=4 856 B3R0.1 C(CO)O E103321 [2,0,0,0,0,0|1,1,0]=4 857 B3R0.1 C(CO)O E103322 [2,0,0,0,0,0|1,1,0]=4 858 B3R0.1 C(CO)O E103323 [2,0,0,0,0,0|1,1,0]=4 859 B3R0.1 C(CO)O E119700 [2,0,0,0,0,0|1,1,0]=4 860 B3R0.1 C(CO)O E336117 [2,0,0,0,0,0|1,1,0]=4 861 B3R0.1 C(CO)O E431350 [2,0,0,0,0,0|1,1,0]=4 862 B3R0.1 C(CO)O E472164 [2,0,0,0,0,0|1,1,0]=4 863 B3R0.1 C(CS)N C106201 [2,0,0,0,0,0|1,0,0]=3 864 B3R0.1 C(CS)N C106461 [2,0,0,0,0,0|1,0,0]=3 865 B3R0.1 C(CS)N C406662 [2,0,0,0,0,0|1,0,0]=3 866 B3R0.1 C(CS)N C421874 [2,0,0,0,0,0|1,0,0]=3 867 B3R0.1 C(CS)N C425002 [2,0,0,0,0,0|1,0,0]=3 868 B3R0.1 C(CS)N E491887 [2,0,0,0,0,0|1,0,0]=3 869 B3R0.1 C(CS)O M274256 [2,0,0,0,0,0|1,0,0]=3 870 B3R0.1 C(CS)O M301573 [2,0,0,0,0,0|1,0,0]=3 871 B3R0.1 C(CS)O M301574 [2,0,0,0,0,0|1,0,0]=3 872 B3R0.1 C(CS)S E106222 [2,0,0,0,0,0|1,0,0]=3 873 B3R0.1 CCC=O P100053 [2,0,0,0,0,0|0,1,1]=4 874 B3R0.1 CCC=O P100055 [2,0,0,0,0,0|0,1,1]=4 875 B3R0.1 CCCBr P105781 [2,0,0,0,0,0|1,0,0]=3 876 B3R0.1 CCCBr P105782 [2,0,0,0,0,0|1,0,0]=3 877 B3R0.1 CCCCl C109186 [2,0,0,0,0,0|1,0,0]=3 878 B3R0.1 CCCCl C109187 [2,0,0,0,0,0|1,0,0]=3 879 B3R0.1 CCCI I108561 [2,0,0,0,0,0|1,0,0]=3 880 B3R0.1 CCCN P100388 [2,0,0,0,0,0|1,0,0]=3 881 B3R0.1 CCCN P100389 [2,0,0,0,0,0|1,0,0]=3 882 B3R0.1 CCCN P100390 [2,0,0,0,0,0|1,0,0]=3 883 B3R0.1 CCCN P160475 [2,0,0,0,0,0|1,0,0]=3 884 B3R0.1 CCCN P160642 [2,0,0,0,0,0|1,0,0]=3 885 B3R0.1 CCCN P160706 [2,0,0,0,0,0|1,0,0]=3 886 B3R0.1 CCCN P492083 [2,0,0,0,0,0|1,0,0]=3 887 B3R0.1 CCCN P492097 [2,0,0,0,0,0|1,0,0]=3 888 B3R0.1 CCCN P492100 [2,0,0,0,0,0|1,0,0]=3 889 B3R0.1 CCCO P110342 [2,0,0,0,0,0|0,1,0]=3 890 B3R0.1 CCCO P110343 [2,0,0,0,0,0|0,1,0]=3 891 B3R0.1 CCCO P110345 [2,0,0,0,0,0|0,1,0]=3 892 B3R0.1 CCCO P110346 [2,0,0,0,0,0|0,1,0]=3 893 B3R0.1 CCCO P110347 [2,0,0,0,0,0|0,1,0]=3 894 B3R0.1 CCCO P110348 [2,0,0,0,0,0|0,1,0]=3 895 B3R0.1 CCCO P119680 [2,0,0,0,0,0|0,1,0]=3 896 B3R0.1 CCCO P301085 [2,0,0,0,0,0|0,1,0]=3 897 B3R0.1 CCCO V343786 [2,0,0,0,0,0|0,1,0]=3 898 B3R0.1 CCCS P100008 [2,0,0,0,0,0|0,0,0]=2 899 B3R0.1 CCCS P103444 [2,0,0,0,0,0|0,0,0]=2 900 B3R0.1 CCC[CH2-] B140756 [2,0,0,0,0,0|0,0,1]=3 901 B3R0.1 CCC[CH2-] B465987 [2,0,0,0,0,0|0,0,1]=3 902 B3R0.1 CCC[CH2-] L337344 [2,0,0,0,0,0|0,0,1]=3 903 B3R0.1 CCC[CH2-] N431405 [2,0,0,0,0,0|0,0,1]=3 904 B3R0.1 CCC[CH2-] N466053 [2,0,0,0,0,0|0,0,1]=3 905 B3R0.1 CCC[O-] T349490 [2,0,0,0,0,0|0,1,0]=3 906 B3R0.1 CCC[O-] Z106340 [2,0,0,0,0,0|0,1,0]=3 907 B3R0.1 CCC[S-] S330727 [2,0,0,0,0,0|0,0,1]=3 908 B3R0.1 CCNO N193370 [2,0,0,0,0,0|1,1,0]=4 909 B3R0.1 CCON E135458 [2,0,0,0,0,0|2,0,0]=4 910 B3R0.1 CCSC E140654 [2,0,0,0,0,0|1,0,0]=3 911 B3R0.1 CC[CH-]C D404094 [2,0,0,0,0,0|0,0,1]=3 912 B3R0.1 CC[N-]C T282369 [2,0,0,0,0,0|1,0,0]=3 913 B3R0.1 CC[N-]C T282378 [2,0,0,0,0,0|1,0,0]=3 914 B3R0.1 CC[N-]C T283555 [2,0,0,0,0,0|1,0,0]=3 915 B3R0.1 CNOC D123576 [2,0,0,0,0,0|2,0,0]=4 916 B3R0.1 COCBr B138143 [2,0,0,0,0,0|2,0,0]=4 917 B3R0.1 CSCCl C153265 [2,0,0,0,0,0|2,0,0]=4 918 B3R0.1 C[Se][Se]C D133995 [2,0,0,0,0,0|2,0,0]=4 919 B5R0.1 B(CCC)(O)O P120303 [1,1,0,0,0,0|1,1,0]=4 920 B5R0.1 C(CS)C(=O)O M103035 [1,1,0,0,0,0|1,0,1]=4 921 B5R0.1 C(CS)C(=O)O M103036 [1,1,0,0,0,0|1,0,1]=4 922 B5R0.1 C(CS)C(=O)O M590994 [1,1,0,0,0,0|1,0,1]=4 923 B5R0.1 CC#CC(C)C M157953 [1,1,0,0,0,0|0,0,2]=4 924 B5R0.1 CC(=C)CCO M158231 [1,1,0,0,0,0|0,1,1]=4 925 B5R0.1 CC(=O)CCO H106330 [1,1,0,0,0,0|0,1,1]=4 926 B5R0.1 CC(=O)COC M158844 [1,1,0,0,0,0|1,0,1]=4 927 B5R0.1 CC(C)CC#C M157952 [1,1,0,0,0,0|0,0,2]=4 928 B5R0.1 CC(C)CC#N I137312 [1,1,0,0,0,0|1,0,1]=4 929 B5R0.1 CC(C)CC=C M158219 [1,1,0,0,0,0|0,0,2]=4 930 B5R0.1 CC(C)CC=O I103729 [1,1,0,0,0,0|0,1,1]=4 931 B5R0.1 CC(C)CC=O I103733 [1,1,0,0,0,0|0,1,1]=4 932 B5R0.1 CC(C)CCBr I109279 [1,1,0,0,0,0|1,0,0]=3 933 B5R0.1 CC(C)CCCl C105682 [1,1,0,0,0,0|1,0,0]=3 934 B5R0.1 CC(C)CCI I100674 [1,1,0,0,0,0|1,0,0]=3 935 B5R0.1 CC(C)CCN I109581 [1,1,0,0,0,0|1,0,0]=3 936 B5R0.1 CC(C)CCN I404590 [1,1,0,0,0,0|1,0,0]=3 937 B5R0.1 CC(C)CCO M116196 [1,1,0,0,0,0|0,1,0]=3 938 B5R0.1 CC(C)CCO M116197 [1,1,0,0,0,0|0,1,0]=3 939 B5R0.1 CC(C)CCO M116198 [1,1,0,0,0,0|0,1,0]=3 940 B5R0.1 CC(C)CCO M116200 [1,1,0,0,0,0|0,1,0]=3 941 B5R0.1 CC(C)CCO M116201 [1,1,0,0,0,0|0,1,0]=3 942 B5R0.1 CC(C)CCO M119838 [1,1,0,0,0,0|0,1,0]=3 943 B5R0.1 CC(C)CCS M101609 [1,1,0,0,0,0|0,0,0]=2 944 B5R0.1 CC(C)CNN I588327 [1,1,0,0,0,0|2,0,0]=4 945 B5R0.1 CC(C)C[Zn]Br I465880 [1,1,0,0,0,0|2,0,0]=4 946 B5R0.1 CC(C)OCCl C189120 [1,1,0,0,0,0|2,0,0]=4 947 B5R0.1 CC(CC#C)O P160660 [1,1,0,0,0,0|0,0,2]=4 948 B5R0.1 CC(CC=C)O P160534 [1,1,0,0,0,0|0,0,2]=4 949 B5R0.1 CC(CC=C)O R467366 [1,1,0,0,0,0|0,0,2]=4 950 B5R0.1 CC(CC=C)O S467331 [1,1,0,0,0,0|0,0,2]=4 951 B5R0.1 CC(CCBr)Br D155315 [1,1,0,0,0,0|1,0,0]=3 952 B5R0.1 CC(CCBr)O B589640 [1,1,0,0,0,0|1,0,0]=3 953 B5R0.1 CC(CCCl)Cl D155308 [1,1,0,0,0,0|1,0,0]=3 954 B5R0.1 CC(CCO)N A123608 [1,1,0,0,0,0|0,1,0]=3 955 B5R0.1 CC(CCO)N A183438 [1,1,0,0,0,0|0,1,0]=3 956 B5R0.1 CC(CCO)N S176942 [1,1,0,0,0,0|0,1,0]=3 957 B5R0.1 CC(CCO)O B111016 [1,1,0,0,0,0|0,1,0]=3 958 B5R0.1 CC(CCO)O B111017 [1,1,0,0,0,0|0,1,0]=3 959 B5R0.1 CC(CCO)O B111018 [1,1,0,0,0,0|0,1,0]=3 960 B5R0.1 CC(CCO)O B119672 [1,1,0,0,0,0|0,1,0]=3 961 B5R0.1 CC(CCO)O R160960 [1,1,0,0,0,0|0,1,0]=3 962 B5R0.1 CC(CCO)O S138551 [1,1,0,0,0,0|0,1,0]=3 963 B5R0.1 CC(CNC)O M587581 [1,1,0,0,0,0|1,0,0]=3 964 B5R0.1 CC(COC)N M169973 [1,1,0,0,0,0|1,0,0]=3 965 B5R0.1 CC(COC)N S475332 [1,1,0,0,0,0|1,0,0]=3 966 B5R0.1 CC(COC)N S586466 [1,1,0,0,0,0|1,0,0]=3 967 B5R0.1 CC(COC)O M105264 [1,1,0,0,0,0|1,0,0]=3 968 B5R0.1 CC(COC)O M105265 [1,1,0,0,0,0|1,0,0]=3 969 B5R0.1 CC(COC)O M105266 [1,1,0,0,0,0|1,0,0]=3 970 B5R0.1 CC(COC)O M299436 [1,1,0,0,0,0|1,0,0]=3 971 B5R0.1 CC(COC)O R160841 [1,1,0,0,0,0|1,0,0]=3 972 B5R0.1 CC(COC)O S161357 [1,1,0,0,0,0|1,0,0]=3 973 B5R0.1 CC=CC(C)C M158236 [1,1,0,0,0,0|0,0,2]=4 974 B5R0.1 CC=CC(C)C T162379 [1,1,0,0,0,0|0,0,2]=4 975 B5R0.1 CCC=C(C)C M158233 [1,1,0,0,0,0|0,0,2]=4 976 B5R0.1 CCCC(=C)C M158211 [1,1,0,0,0,0|0,0,1]=3 977 B5R0.1 CCCC(=O)C P103780 [1,1,0,0,0,0|0,0,1]=3 978 B5R0.1 CCCC(=O)C P103781 [1,1,0,0,0,0|0,0,1]=3 979 B5R0.1 CCCC(=O)C P103782 [1,1,0,0,0,0|0,0,1]=3 980 B5R0.1 CCCC(=O)C P103783 [1,1,0,0,0,0|0,0,1]=3 981 B5R0.1 CCCC(=O)Cl B108666 [1,1,0,0,0,0|0,1,1]=4 982 B5R0.1 CCCC(=O)N B152329 [1,1,0,0,0,0|0,1,1]=4 983 B5R0.1 CCCC(=O)O B110438 [1,1,0,0,0,0|0,1,1]=4 984 B5R0.1 CCCC(=O)O B110439 [1,1,0,0,0,0|0,1,1]=4 985 B5R0.1 CCCC(=O)O B110440 [1,1,0,0,0,0|0,1,1]=4 986 B5R0.1 CCCC(=O)O B110442 [1,1,0,0,0,0|0,1,1]=4 987 B5R0.1 CCCC(=O)O B274612 [1,1,0,0,0,0|0,1,1]=4 988 B5R0.1 CCCC(=O)O B431361 [1,1,0,0,0,0|0,1,1]=4 989 B5R0.1 CCCC(=O)[O-] S102954 [1,1,0,0,0,0|0,1,1]=4 990 B5R0.1 CCCC(=O)[O-] S102956 [1,1,0,0,0,0|0,1,1]=4 991 B5R0.1 CCCC(=O)[O-] S346178 [1,1,0,0,0,0|0,1,1]=4 992 B5R0.1 CCCC(=O)[O-] S421873 [1,1,0,0,0,0|0,1,1]=4 993 B5R0.1 CCCC(C)Br B400517 [1,1,0,0,0,0|0,0,0]=2 994 B5R0.1 CCCC(C)C I157548 [1,1,0,0,0,0|0,0,0]=2 995 B5R0.1 CCCC(C)C M105775 [1,1,0,0,0,0|0,0,0]=2 996 B5R0.1 CCCC(C)C M105776 [1,1,0,0,0,0|0,0,0]=2 997 B5R0.1 CCCC(C)C M105777 [1,1,0,0,0,0|0,0,0]=2 998 B5R0.1 CCCC(C)C M105778 [1,1,0,0,0,0|0,0,0]=2 999 B5R0.1 CCCC(C)C M137744 [1,1,0,0,0,0|0,0,0]=2 1000 B5R0.1 CCCC(C)Cl C467357 [1,1,0,0,0,0|0,0,0]=2 1001 B5R0.1 CCCC(C)N A151353 [1,1,0,0,0,0|0,0,0]=2 1002 B5R0.1 CCCC(C)O P103442 [1,1,0,0,0,0|0,0,0]=2 1003 B5R0.1 CCCC(C)O P103443 [1,1,0,0,0,0|0,0,0]=2 1004 B5R0.1 CCCC(C)O R138651 [1,1,0,0,0,0|0,0,0]=2 1005 B5R0.1 CCCC(C)O S138580 [1,1,0,0,0,0|0,0,0]=2 1006 B5R0.1 CCCN(C)C N404354 [1,1,0,0,0,0|1,0,0]=3 1007 B5R0.1 CCC[N+](=O)[O-] N109053 [1,1,0,0,0,0|1,1,0]=4 1008 B5R0.1 CCNC(=O)C I135660 [1,1,0,0,0,0|1,0,1]=4 1009 B5R0.1 CCNC(C)C N159098 [1,1,0,0,0,0|1,0,0]=3 1010 B5R0.1 CCOC(=N)C E132730 [1,1,0,0,0,0|1,0,1]=4 1011 B5R0.1 CCOC(=O)C E116131 [1,1,0,0,0,0|1,0,1]=4 1012 B5R0.1 CCOC(=O)C E116132 [1,1,0,0,0,0|1,0,1]=4 1013 B5R0.1 CCOC(=O)C E116133 [1,1,0,0,0,0|1,0,1]=4 1014 B5R0.1 CCOC(=O)C E116134 [1,1,0,0,0,0|1,0,1]=4 1015 B5R0.1 CCOC(=O)C E116135 [1,1,0,0,0,0|1,0,1]=4 1016 B5R0.1 CCOC(=O)C E116136 [1,1,0,0,0,0|1,0,1]=4 1017 B5R0.1 CCOC(=O)C E116137 [1,1,0,0,0,0|1,0,1]=4 1018 B5R0.1 CCOC(=O)C E116138 [1,1,0,0,0,0|1,0,1]=4 1019 B5R0.1 CCOC(=O)C E116139 [1,1,0,0,0,0|1,0,1]=4 1020 B5R0.1 CCOC(=O)C E116141 [1,1,0,0,0,0|1,0,1]=4 1021 B5R0.1 CCOC(=O)C E116142 [1,1,0,0,0,0|1,0,1]=4 1022 B5R0.1 CCOC(=O)C E119698 [1,1,0,0,0,0|1,0,1]=4 1023 B5R0.1 CCOC(=O)C E141165 [1,1,0,0,0,0|1,0,1]=4 1024 B5R0.1 CCOC(=O)C E302266 [1,1,0,0,0,0|1,0,1]=4 1025 B5R0.1 CCOC(=O)C E432070 [1,1,0,0,0,0|1,0,1]=4 1026 B5R0.1 CCO[Si](C)C D191031 [1,1,0,0,0,0|1,1,0]=4 1027 B5R0.1 CCSC(=O)C E107950 [1,1,0,0,0,0|1,0,1]=4 1028 B5R0.1 CCSC(=S)C E338928 [1,1,0,0,0,0|1,0,1]=4 1029 B5R0.1 CN(C)CCBr B183437 [1,1,0,0,0,0|2,0,0]=4 1030 B5R0.1 CN(C)CCN D105347 [1,1,0,0,0,0|2,0,0]=4 1031 B5R0.1 CN(C)CCN N404297 [1,1,0,0,0,0|2,0,0]=4 1032 B5R0.1 CN(C)CCN N404298 [1,1,0,0,0,0|2,0,0]=4 1033 B5R0.1 CN(C)CCO D109078 [1,1,0,0,0,0|1,1,0]=4 1034 B5R0.1 CN(C)CCO D109079 [1,1,0,0,0,0|1,1,0]=4 1035 B5R0.1 CN(C)CCO D109080 [1,1,0,0,0,0|1,1,0]=4 1036 B5R0.1 CSCS(=O)C M158415 [1,1,0,0,0,0|2,0,0]=4 1037 B5R0.3 C(C(CBr)Br)Br T109520 [1,1,0,0,0,0|2,0,0]=4 1038 B5R0.3 C(C(CBr)Br)Cl D469912 [1,1,0,0,0,0|2,0,0]=4 1039 B5R0.3 C(C(CBr)Br)N D487237 [1,1,0,0,0,0|2,0,0]=4 1040 B5R0.3 C(C(CBr)Br)O D154495 [1,1,0,0,0,0|1,1,0]=4 1041 B5R0.3 C(C(CBr)O)Br D100260 [1,1,0,0,0,0|2,0,0]=4 1042 B5R0.3 C(C(CBr)O)O B133715 [1,1,0,0,0,0|1,1,0]=4 1043 B5R0.3 C(C(CCl)Cl)Cl T128156 [1,1,0,0,0,0|2,0,0]=4 1044 B5R0.3 C(C(CCl)Cl)O D154496 [1,1,0,0,0,0|1,1,0]=4 1045 B5R0.3 C(C(CCl)O)Cl D110862 [1,1,0,0,0,0|2,0,0]=4 1046 B5R0.3 C(C(CCl)O)Cl D110863 [1,1,0,0,0,0|2,0,0]=4 1047 B5R0.3 C(C(CCl)O)Cl D357372 [1,1,0,0,0,0|2,0,0]=4 1048 B5R0.3 C(C(CCl)O)N S192900 [1,1,0,0,0,0|2,0,0]=4 1049 B5R0.3 C(C(CCl)O)O C106058 [1,1,0,0,0,0|1,1,0]=4 1050 B5R0.3 C(C(CCl)O)O C106059 [1,1,0,0,0,0|1,1,0]=4 1051 B5R0.3 C(C(CCl)O)O C356973 [1,1,0,0,0,0|1,1,0]=4 1052 B5R0.3 C(C(CF)O)F D170430 [1,1,0,0,0,0|2,0,0]=4 1053 B5R0.3 C(C(CN)O)N D121823 [1,1,0,0,0,0|2,0,0]=4 1054 B5R0.3 C(C(CO)N)O A100952 [1,1,0,0,0,0|1,1,0]=4 1055 B5R0.3 C(C(CO)N)O A101351 [1,1,0,0,0,0|1,1,0]=4 1056 B5R0.3 C(C(CO)O)N A101946 [1,1,0,0,0,0|1,1,0]=4 1057 B5R0.3 C(C(CO)O)N A103187 [1,1,0,0,0,0|1,1,0]=4 1058 B5R0.3 C(C(CO)O)N A107504 [1,1,0,0,0,0|1,1,0]=4 1059 B5R0.3 C(C(CO)O)O G116202 [1,1,0,0,0,0|1,1,0]=4 1060 B5R0.3 C(C(CO)O)O G116203 [1,1,0,0,0,0|1,1,0]=4 1061 B5R0.3 C(C(CO)O)O G116205 [1,1,0,0,0,0|1,1,0]=4 1062 B5R0.3 C(C(CO)O)O G116206 [1,1,0,0,0,0|1,1,0]=4 1063 B5R0.3 C(C(CO)O)O G116208 [1,1,0,0,0,0|1,1,0]=4 1064 B5R0.3 C(C(CO)O)O G116209 [1,1,0,0,0,0|1,1,0]=4 1065 B5R0.3 C(C(CO)O)O G116213 [1,1,0,0,0,0|1,1,0]=4 1066 B5R0.3 C(C(CO)O)O G116214 [1,1,0,0,0,0|1,1,0]=4 1067 B5R0.3 C(C(CO)O)O G116215 [1,1,0,0,0,0|1,1,0]=4 1068 B5R0.3 C(C(CO)O)O G117555 [1,1,0,0,0,0|1,1,0]=4 1069 B5R0.3 C(C(CO)O)O G117556 [1,1,0,0,0,0|1,1,0]=4 1070 B5R0.3 C(C(CO)O)O G294877 [1,1,0,0,0,0|1,1,0]=4 1071 B5R0.3 C(C(CO)O)O G334451 [1,1,0,0,0,0|1,1,0]=4 1072 B5R0.3 C(C(CO)O)O G424796 [1,1,0,0,0,0|1,1,0]=4 1073 B5R0.3 C(C(CO)O)O G472031 [1,1,0,0,0,0|1,1,0]=4 1074 B5R0.3 C(C(CO)O)O G474157 [1,1,0,0,0,0|1,1,0]=4 1075 B5R0.3 C(C(CS)O)O T109440 [1,1,0,0,0,0|1,0,0]=3 1076 B5R0.3 C(C(CS)O)O T109441 [1,1,0,0,0,0|1,0,0]=3 1077 B5R0.3 C(C(CS)O)O T109442 [1,1,0,0,0,0|1,0,0]=3 1078 B5R0.3 C(C(CS)O)O T141418 [1,1,0,0,0,0|1,0,0]=3 1079 B5R0.3 C(C(CS)S)O D106477 [1,1,0,0,0,0|1,0,0]=3 1080 B5R0.3 C(C(CS)S)O D424962 [1,1,0,0,0,0|1,0,0]=3 1081 B5R0.3 CC(CN)CO A483603 [1,1,0,0,0,0|1,1,0]=4 1082 B5R0.3 CC(CO)CBr R469876 [1,1,0,0,0,0|1,1,0]=4 1083 B5R0.3 CC(CO)CBr S469920 [1,1,0,0,0,0|1,1,0]=4 1084 B5R0.3 CC(CO)CO M141411 [1,1,0,0,0,0|1,1,0]=4 1085 B5R0.3 CC(CO)OC R194193 [1,1,0,0,0,0|1,1,0]=4 1086 B5R0.3 CC(OC)OC D155919 [1,1,0,0,0,0|2,0,0]=4 1087 B5R0.3 CCC(=C)CC E156179 [1,1,0,0,0,0|0,0,1]=3 1088 B5R0.3 CCC(=CC)C T162381 [1,1,0,0,0,0|0,0,2]=4 1089 B5R0.3 CCC(=O)CC P103791 [1,1,0,0,0,0|0,0,1]=3 1090 B5R0.3 CCC(=O)CC P103792 [1,1,0,0,0,0|0,0,1]=3 1091 B5R0.3 CCC(=O)CC P103794 [1,1,0,0,0,0|0,0,1]=3 1092 B5R0.3 CCC(=O)CO H193640 [1,1,0,0,0,0|0,1,1]=4 1093 B5R0.3 CCC(=O)NC N159394 [1,1,0,0,0,0|1,0,1]=4 1094 B5R0.3 CCC(=O)OC M110420 [1,1,0,0,0,0|1,0,1]=4 1095 B5R0.3 CCC(=O)OC M110421 [1,1,0,0,0,0|1,0,1]=4 1096 B5R0.3 CCC(=O)OC M110422 [1,1,0,0,0,0|1,0,1]=4 1097 B5R0.3 CCC(=O)OC M491732 [1,1,0,0,0,0|1,0,1]=4 1098 B5R0.3 CCC(=O)SC S404755 [1,1,0,0,0,0|1,0,1]=4 1099 B5R0.3 CCC(C#C)O P138822 [1,1,0,0,0,0|0,0,2]=4 1100 B5R0.3 CCC(C)C#N M158304 [1,1,0,0,0,0|1,0,1]=4 1101 B5R0.3 CCC(C)C=C M158226 [1,1,0,0,0,0|0,0,2]=4 1102 B5R0.3 CCC(C)C=O M158687 [1,1,0,0,0,0|0,1,1]=4 1103 B5R0.3 CCC(C)CBr B120302 [1,1,0,0,0,0|1,0,0]=3 1104 B5R0.3 CCC(C)CBr B188983 [1,1,0,0,0,0|1,0,0]=3 1105 B5R0.3 CCC(C)CC M109051 [1,1,0,0,0,0|0,0,0]=2 1106 B5R0.3 CCC(C)CC M109052 [1,1,0,0,0,0|0,0,0]=2 1107 B5R0.3 CCC(C)CCl C153548 [1,1,0,0,0,0|1,0,0]=3 1108 B5R0.3 CCC(C)CCl S160982 [1,1,0,0,0,0|1,0,0]=3 1109 B5R0.3 CCC(C)CI I157547 [1,1,0,0,0,0|1,0,0]=3 1110 B5R0.3 CCC(C)CN S467250 [1,1,0,0,0,0|1,0,0]=3 1111 B5R0.3 CCC(C)CO M106456 [1,1,0,0,0,0|0,1,0]=3 1112 B5R0.3 CCC(C)CO M106654 [1,1,0,0,0,0|0,1,0]=3 1113 B5R0.3 CCC(C)CS M103069 [1,1,0,0,0,0|0,0,0]=2 1114 B5R0.3 CCC(C)OC S161061 [1,1,0,0,0,0|1,0,0]=3 1115 B5R0.3 CCC(C=C)O P160532 [1,1,0,0,0,0|0,0,2]=4 1116 B5R0.3 CCC(CBr)Br D102336 [1,1,0,0,0,0|1,0,0]=3 1117 B5R0.3 CCC(CBr)O B152045 [1,1,0,0,0,0|1,0,0]=3 1118 B5R0.3 CCC(CC)Br B106965 [1,1,0,0,0,0|0,0,0]=2 1119 B5R0.3 CCC(CC)N A133949 [1,1,0,0,0,0|0,0,0]=2 1120 B5R0.3 CCC(CC)O P109359 [1,1,0,0,0,0|0,0,0]=2 1121 B5R0.3 CCC(CCl)Cl D155318 [1,1,0,0,0,0|1,0,0]=3 1122 B5R0.3 CCC(CN)O A151121 [1,1,0,0,0,0|1,0,0]=3 1123 B5R0.3 CCC(CO)N A106025 [1,1,0,0,0,0|0,1,0]=3 1124 B5R0.3 CCC(CO)N A107264 [1,1,0,0,0,0|0,1,0]=3 1125 B5R0.3 CCC(CO)N A107265 [1,1,0,0,0,0|0,1,0]=3 1126 B5R0.3 CCC(CO)O B153217 [1,1,0,0,0,0|0,1,0]=3 1127 B5R0.3 CCC(CO)O B300651 [1,1,0,0,0,0|0,1,0]=3 1128 B5R0.3 CCC(CO)O R160952 [1,1,0,0,0,0|0,1,0]=3 1129 B5R0.3 CCC(CO)O S161003 [1,1,0,0,0,0|0,1,0]=3 1130 B5R0.3 CCC(CS)S B152748 [1,1,0,0,0,0|0,0,0]=2 1131 B5R0.3 CCN(C)CC N159249 [1,1,0,0,0,0|1,0,0]=3 1132 B5R0.3 CCN(CC)O D109383 [1,1,0,0,0,0|1,0,0]=3 1133 B5R0.3 CCN(CC)O N432573 [1,1,0,0,0,0|1,0,0]=3 1134 B5R0.3 CCS(=O)CC E589941 [1,1,0,0,0,0|1,0,0]=3 1135 B5R0.3 CC[P+](=O)CC D332476 [1,1,0,0,0,0|1,0,0]=3 1136 B5R0.3 CC[Si](C)CC D337339 [1,1,0,0,0,0|0,1,0]=3 1137 B5R0.3 CNC(=O)CS M124593 [1,1,0,0,0,0|1,0,1]=4 1138 B5R0.3 COC(=O)CS M103140 [1,1,0,0,0,0|1,0,1]=4 1139 B7R0.2 CC(C)CC(C#C)O M157950 [0,2,0,0,0,0|1,0,1]=4 1140 B7R0.2 CC(C)CC(CO)N L117136 [0,2,0,0,0,0|0,1,0]=3 1141 B7R0.2 CC(C)CC(CO)N S133878 [0,2,0,0,0,0|0,1,0]=3 1142 B7R0.2 CC(CN(C)C)CCl D134652 [0,2,0,0,0,0|2,0,0]=4 1143 B7R0.2 CCC(=O)CC(C)C E156458 [0,2,0,0,0,0|1,0,1]=4 1144 B7R0.2 CCC(C)CC(=O)O M109883 [0,2,0,0,0,0|0,1,1]=4 1145 B7R0.2 CCC(C)CC(C)C D155187 [0,2,0,0,0,0|1,0,0]=3 1146 B7R0.2 CCC(C)CC(C)N D135535 [0,2,0,0,0,0|1,0,0]=3 1147 B7R0.2 CCC(CC(=O)O)N A191758 [0,2,0,0,0,0|0,1,1]=4 1148 B7R0.2 CCC(CC(=O)O)N I167296 [0,2,0,0,0,0|0,1,1]=4 1149 B7R0.2 CN(C)CC(CO)O D135042 [0,2,0,0,0,0|1,1,0]=4 1150 B7R0.3 C(CC(CO)O)CO P160114 [0,2,0,0,0,0|0,1,0]=3 1151 B7R0.3 CC(CCC#N)C#N M158303 [0,2,0,0,0,0|1,0,1]=4 1152 B7R0.3 CC(CCCN)CN M158599 [0,2,0,0,0,0|1,0,0]=3 1153 B7R0.3 CCC(=O)NCCO N158966 [0,2,0,0,0,0|0,1,1]=4 1154 B7R0.3 CCCCC(=C)CC E156236 [0,2,0,0,0,0|1,0,0]=3 1155 B7R0.3 CCCCC(=O)CC H103766 [0,2,0,0,0,0|1,0,0]=3 1156 B7R0.3 CCCCC(=O)NN P135113 [0,2,0,0,0,0|0,1,1]=4 1157 B7R0.3 CCCCC(=O)OC M108213 [0,2,0,0,0,0|0,1,1]=4 1158 B7R0.3 CCCCC(=O)OC M108214 [0,2,0,0,0,0|0,1,1]=4 1159 B7R0.3 CCCCC(C#C)O H115791 [0,2,0,0,0,0|0,1,0]=3 1160 B7R0.3 CCCCC(C)CC M113650 [0,2,0,0,0,0|1,0,0]=3 1161 B7R0.3 CCCCC(C=C)O H589251 [0,2,0,0,0,0|0,1,0]=3 1162 B7R0.3 CCCCC(CC)Br B152441 [0,2,0,0,0,0|1,0,0]=3 1163 B7R0.3 CCCCC(CC)O H156872 [0,2,0,0,0,0|0,1,0]=3 1164 B7R0.3 CCCCC(CO)N R349958 [0,2,0,0,0,0|0,1,0]=3 1165 B7R0.3 CCCCC(CO)O H108067 [0,2,0,0,0,0|0,1,0]=3 1166 B7R0.3 CCCNC(C)CC N158968 [0,2,0,0,0,0|1,0,0]=3 1167 B7R0.3 CCCOC(=O)CC P111531 [0,2,0,0,0,0|1,0,1]=4 1168 B7R0.3 CCCOC(=O)CC P111532 [0,2,0,0,0,0|1,0,1]=4 1169 B7R0.3 CCOCC(CO)O E305267 [0,2,0,0,0,0|0,1,0]=3 1170 B7R0.3 COC(=O)CCCBr M158832 [0,2,0,0,0,0|1,0,1]=4 1171 B7R0.3 COC(=O)CCCBr M492178 [0,2,0,0,0,0|1,0,1]=4 1172 B7R0.3 COC(=O)CCCCl C108118 [0,2,0,0,0,0|1,0,1]=4 1173 B7R0.3 COC(=O)CCCI M167258 [0,2,0,0,0,0|1,0,1]=4 1174 B7R0.3 COC(=O)CCCN M124081 [0,2,0,0,0,0|1,0,1]=4 1175 B7R0.3 COC(=O)CCSC M302466 [0,2,0,0,0,0|1,0,1]=4 1176 B7R0.3 CSCCC(CO)N D339853 [0,2,0,0,0,0|0,1,0]=3 1177 B7R0.3 CSCCC(CO)N M117138 [0,2,0,0,0,0|0,1,0]=3 1178 B7R0.3 CSCCC(CO)N S167794 [0,2,0,0,0,0|0,1,0]=3 1179 B7R0.5 C(CS)C(C(=O)O)N H106297 [0,2,0,0,0,0|1,0,1]=4 1180 B7R0.5 C(CS)C(C(=O)O)N L134501 [0,2,0,0,0,0|1,0,1]=4 1181 B7R0.5 CC(C)C(CCO)N A348373 [0,2,0,0,0,0|0,1,0]=3 1182 B7R0.5 CCCC(C(=O)O)Br B152768 [0,2,0,0,0,0|0,1,1]=4 1183 B7R0.5 CCCC(C(=O)O)N N100542 [0,2,0,0,0,0|0,1,1]=4 1184 B7R0.5 CCCC(C(=O)O)N N106191 [0,2,0,0,0,0|0,1,1]=4 1185 B7R0.5 CCCC(C(=O)O)N N106215 [0,2,0,0,0,0|0,1,1]=4 1186 B7R0.5 CCCC(C(=O)O)O S193305 [0,2,0,0,0,0|0,1,1]=4 1187 B7R0.5 CCCC(C(=O)[O-])O B301319 [0,2,0,0,0,0|0,1,1]=4 1188 B7R0.5 CCCC(C)C(=O)C M158798 [0,2,0,0,0,0|0,1,1]=4 1189 B7R0.5 CCCC(C)C(=O)O B300596 [0,2,0,0,0,0|0,1,1]=4 1190 B7R0.5 CCCC(C)C(=O)O M117868 [0,2,0,0,0,0|0,1,1]=4 1191 B7R0.5 CCCC(C)C(=O)O M427193 [0,2,0,0,0,0|0,1,1]=4 1192 B7R0.5 CCCC(C)C(C)C D155209 [0,2,0,0,0,0|1,0,0]=3 1193 B7R0.5 CCOC(=O)C(C)S E156189 [0,2,0,0,0,0|1,0,1]=4 1194 B7R0.5 CCOC(C(F)F)O D154293 [0,2,0,0,0,0|2,0,0]=4 1195 B7R0.7 CC(CCO)CCO M157872 [0,2,0,0,0,0|0,1,0]=3 1196 B7R0.7 CCCC(=O)CCC H103840 [0,2,0,0,0,0|1,0,0]=3 1197 B7R0.7 CCCC(=O)CCC H103841 [0,2,0,0,0,0|1,0,0]=3 1198 B7R0.7 CCCC(=O)OCC E101116 [0,2,0,0,0,0|1,0,1]=4 1199 B7R0.7 CCCC(=O)OCC E101117 [0,2,0,0,0,0|1,0,1]=4 1200 B7R0.7 CCCC(=O)OCC E101119 [0,2,0,0,0,0|1,0,1]=4 1201 B7R0.7 CCCC(=O)OCCl C153957 [0,2,0,0,0,0|1,0,1]=4 1202 B7R0.7 CCCC(C)CCC M113651 [0,2,0,0,0,0|1,0,0]=3 1203 B7R0.7 CCCC(CCC)N H156930 [0,2,0,0,0,0|1,0,0]=3 1204 B7R0.7 CCCC(CCC)O H156873 [0,2,0,0,0,0|1,0,0]=3 1205 B7R0.7 CCCC(CCO)S M102905 [0,2,0,0,0,0|0,1,0]=3 1206 B7R0.7 CCCN(C)CCC I169711 [0,2,0,0,0,0|1,0,0]=3 1207 B7R0.7 CCOC(=O)CCBr E106956 [0,2,0,0,0,0|1,0,1]=4 1208 B7R0.7 CCOC(=O)CCCl E100652 [0,2,0,0,0,0|1,0,1]=4 1209 B7R0.7 CCOC(=O)CCI E185756 [0,2,0,0,0,0|1,0,1]=4 1210 B7R0.7 CCOC(=O)CCN A100434 [0,2,0,0,0,0|1,0,1]=4 1211 B7R0.7 CCOC(=O)CCO E185621 [0,2,0,0,0,0|0,1,1]=4 1212 B7R0.7 CCOC(=O)CCS E119585 [0,2,0,0,0,0|0,0,1]=3 1213 B7R0.7 CCOC(=O)CC[CH2-] E465885 [0,2,0,0,0,0|1,0,1]=4 1214 B7R0.7 CCOC(=O)CSC E156475 [0,2,0,0,0,0|1,0,1]=4 1215 B7R0.7 CCOC(C)OCC A109196 [0,2,0,0,0,0|2,0,0]=4 1216 B7R0.7 CCOC(C)OCC A109197 [0,2,0,0,0,0|2,0,0]=4 1217 B7R0.7 CN(CCCl)CCCl M113888 [0,2,0,0,0,0|2,0,0]=4 1218 B7R0.7 CN(CCCl)CCCl M424747 [0,2,0,0,0,0|2,0,0]=4 1219 B7R0.7 CN(CCN)CCN D155080 [0,2,0,0,0,0|2,0,0]=4 1220 B7R0.7 CN(CCO)CCO M105602 [0,2,0,0,0,0|1,1,0]=4 1221 B7R0.7 CN(CCO)CCO M105603 [0,2,0,0,0,0|1,1,0]=4 1222 B7R0.7 COCC(COC)N D195061 [0,2,0,0,0,0|1,1,0]=4 1223 B7R0.7 COCC(COC)O D194254 [0,2,0,0,0,0|1,1,0]=4 1224 B7R0.10 C(C(C(CBr)Br)Br)Br M158077 [0,2,0,0,0,0|2,0,0]=4 1225 B7R0.10 C(C(C(CBr)O)O)Br W131889 [0,2,0,0,0,0|2,0,0]=4 1226 B7R0.10 C(C(C(CO)Br)Br)O W135330 [0,2,0,0,0,0|1,1,0]=4 1227 B7R0.10 C(C(C(CO)O)O)O E105712 [0,2,0,0,0,0|1,1,0]=4 1228 B7R0.10 C(C(C(CO)O)O)O M421753 [0,2,0,0,0,0|1,1,0]=4 1229 B7R0.10 C(C(C(CO)O)O)O S136137 [0,2,0,0,0,0|1,1,0]=4 1230 B7R0.10 C(C(C(CO)O)O)O S161038 [0,2,0,0,0,0|1,1,0]=4 1231 B7R0.10 C(C(C(CS)O)O)S D104859 [0,2,0,0,0,0|1,0,0]=3 1232 B7R0.10 C(C(C(CS)O)O)S D104860 [0,2,0,0,0,0|1,0,0]=3 1233 B7R0.10 C(C(C(CS)O)O)S D104861 [0,2,0,0,0,0|1,0,0]=3 1234 B7R0.10 C(C(C(CS)O)O)S D105710 [0,2,0,0,0,0|1,0,0]=3 1235 B7R0.10 C(C(C(CS)O)O)S D105711 [0,2,0,0,0,0|1,0,0]=3 1236 B7R0.10 C(C(C(CS)O)O)S D121076 [0,2,0,0,0,0|1,0,0]=3 1237 B7R0.10 C(C(C(CS)O)O)S D265376 [0,2,0,0,0,0|1,0,0]=3 1238 B7R0.10 C(C(C(CS)O)O)S D423542 [0,2,0,0,0,0|1,0,0]=3 1239 B7R0.10 CCC(C(=O)CC)O P121219 [0,2,0,0,0,0|1,0,1]=4 1240 B7R0.10 CCC(C(C)CO)S M404750 [0,2,0,0,0,0|0,1,0]=3 1241 B7R0.10 CCC(C)C(CO)N I117134 [0,2,0,0,0,0|0,1,0]=3 1242 B7R0.10 COC(=O)C(CS)N C105474 [0,2,0,0,0,0|1,0,1]=4 1243 B7R0.10 COC(=O)C(CS)N S133993 [0,2,0,0,0,0|1,0,1]=4 1244 B7R0.11 CC(C)(CCO)OC M158753 [0,2,0,0,0,0|1,1,0]=4 1245 B7R0.11 CCC(C)(C)OCC T162410 [0,2,0,0,0,0|2,0,0]=4 1246 B7R0.11 CCCC(C)(C)C#N D154620 [0,2,0,0,0,0|1,0,1]=4 1247 B7R0.12 CCN(CC)CCBr D154672 [0,2,0,0,0,0|2,0,0]=4 1248 B7R0.12 CCN(CC)CCN D105350 [0,2,0,0,0,0|2,0,0]=4 1249 B7R0.12 CCN(CC)CCN N404368 [0,2,0,0,0,0|2,0,0]=4 1250 B7R0.12 CCN(CC)CCO D105707 [0,2,0,0,0,0|1,1,0]=4 1251 B7R0.12 CCN(CC)CCO D131743 [0,2,0,0,0,0|1,1,0]=4 1252 B7R0.12 CCN(CCO)N=O N158964 [0,2,0,0,0,0|1,1,0]=4 1253 B7R0.12 COC(CCBr)OC B153148 [0,2,0,0,0,0|2,0,0]=4 1254 B7R0.4 B(CCCCC)(O)O N193507 [0,2,0,0,0,0|0,1,0]=3 1255 B7R0.4 C(CCBr)CC(=O)Cl B138857 [0,2,0,0,0,0|0,1,1]=4 1256 B7R0.4 C(CCBr)CC(=O)O B106966 [0,2,0,0,0,0|0,1,1]=4 1257 B7R0.4 C(CCCl)CC(=O)Cl C102473 [0,2,0,0,0,0|0,1,1]=4 1258 B7R0.4 C(CCCl)CC(=O)O C153468 [0,2,0,0,0,0|0,1,1]=4 1259 B7R0.4 C(CCN)CC(=O)O A107493 [0,2,0,0,0,0|0,1,1]=4 1260 B7R0.4 C(CCN)CC(=O)O A151151 [0,2,0,0,0,0|0,1,1]=4 1261 B7R0.4 C(CCN)CC(=O)O A151349 [0,2,0,0,0,0|0,1,1]=4 1262 B7R0.4 C(CCN)CC(=O)O A491891 [0,2,0,0,0,0|0,1,1]=4 1263 B7R0.4 C(CCN)CC(=O)O A491894 [0,2,0,0,0,0|0,1,1]=4 1264 B7R0.4 C(CCO)CC(=O)[O-] H184096 [0,2,0,0,0,0|0,1,1]=4 1265 B7R0.4 CC(=O)CCCC#N K157732 [0,2,0,0,0,0|1,0,1]=4 1266 B7R0.4 CC(=O)CCCCCl C108058 [0,2,0,0,0,0|1,0,0]=3 1267 B7R0.4 CC(=O)OCCCCl C135233 [0,2,0,0,0,0|1,0,1]=4 1268 B7R0.4 CC(=O)SCCCBr B333089 [0,2,0,0,0,0|1,0,1]=4 1269 B7R0.4 CC(C)CCOC=O I117534 [0,2,0,0,0,0|0,1,1]=4 1270 B7R0.4 CC(C)CCOC=O I137773 [0,2,0,0,0,0|0,1,1]=4 1271 B7R0.4 CC(C)CCON=O I106092 [0,2,0,0,0,0|1,1,0]=4 1272 B7R0.4 CC(C)CCON=O I106093 [0,2,0,0,0,0|1,1,0]=4 1273 B7R0.4 CC(C)COCCO E156429 [0,2,0,0,0,0|0,1,0]=3 1274 B7R0.4 CC(C)CSCCO I157607 [0,2,0,0,0,0|0,1,0]=3 1275 B7R0.4 CC(C)NCCCO I157484 [0,2,0,0,0,0|0,1,0]=3 1276 B7R0.4 CC(C)NCCOC N158963 [0,2,0,0,0,0|1,1,0]=4 1277 B7R0.4 CC(C)OCCC#N I165912 [0,2,0,0,0,0|1,0,1]=4 1278 B7R0.4 CC(C)OCCCN A133357 [0,2,0,0,0,0|1,0,0]=3 1279 B7R0.4 CC(CCCCO)O H474422 [0,2,0,0,0,0|0,1,0]=3 1280 B7R0.4 CC(CNCCN)O N159095 [0,2,0,0,0,0|1,0,0]=3 1281 B7R0.4 CCCCCC(=C)C M158504 [0,2,0,0,0,0|1,0,0]=3 1282 B7R0.4 CCCCCC(=O)C H103803 [0,2,0,0,0,0|0,1,0]=3 1283 B7R0.4 CCCCCC(=O)C H103827 [0,2,0,0,0,0|0,1,0]=3 1284 B7R0.4 CCCCCC(=O)Cl H102419 [0,2,0,0,0,0|0,1,0]=3 1285 B7R0.4 CCCCCC(=O)Cl H130076 [0,2,0,0,0,0|0,1,0]=3 1286 B7R0.4 CCCCCC(=O)N H157108 [0,2,0,0,0,0|0,1,0]=3 1287 B7R0.4 CCCCCC(=O)O H103630 [0,2,0,0,0,0|0,1,0]=3 1288 B7R0.4 CCCCCC(=O)O H103631 [0,2,0,0,0,0|0,1,0]=3 1289 B7R0.4 CCCCCC(=O)O H103632 [0,2,0,0,0,0|0,1,0]=3 1290 B7R0.4 CCCCCC(=O)O H278778 [0,2,0,0,0,0|0,1,0]=3 1291 B7R0.4 CCCCCC(=O)O H432079 [0,2,0,0,0,0|0,1,0]=3 1292 B7R0.4 CCCCCC(=O)[O-] S161313 [0,2,0,0,0,0|0,1,0]=3 1293 B7R0.4 CCCCCC(C)C M113649 [0,2,0,0,0,0|1,0,0]=3 1294 B7R0.4 CCCCCC(C)C M406726 [0,2,0,0,0,0|1,0,0]=3 1295 B7R0.4 CCCCCC(C)N A166657 [0,2,0,0,0,0|1,0,0]=3 1296 B7R0.4 CCCCCC(C)N A421028 [0,2,0,0,0,0|1,0,0]=3 1297 B7R0.4 CCCCCC(C)N S474322 [0,2,0,0,0,0|1,0,0]=3 1298 B7R0.4 CCCCCC(C)O H100747 [0,2,0,0,0,0|0,1,0]=3 1299 B7R0.4 CCCCCC(C)O I137289 [0,2,0,0,0,0|0,1,0]=3 1300 B7R0.4 CCCCNC(=O)N B152704 [0,2,0,0,0,0|0,1,1]=4 1301 B7R0.4 CCCCNC(=S)N B181673 [0,2,0,0,0,0|0,0,2]=4 1302 B7R0.4 CCCCOC(=O)C B116224 [0,2,0,0,0,0|0,1,1]=4 1303 B7R0.4 CCCCOC(=O)C B116225 [0,2,0,0,0,0|0,1,1]=4 1304 B7R0.4 CCCCOC(=O)C B116227 [0,2,0,0,0,0|0,1,1]=4 1305 B7R0.4 CCCCOC(=O)C B116228 [0,2,0,0,0,0|0,1,1]=4 1306 B7R0.4 CCCCOC(=O)C B119685 [0,2,0,0,0,0|0,1,1]=4 1307 B7R0.4 CCCCOC(=O)N B152422 [0,2,0,0,0,0|0,1,1]=4 1308 B7R0.4 CCCCOC(=S)[S-] P160349 [0,2,0,0,0,0|0,0,2]=4 1309 B7R0.4 CCCCO[N+](=O)[O-] N334844 [0,2,0,0,0,0|1,1,0]=4 1310 B7R0.4 CCCOCC(C)O P160113 [0,2,0,0,0,0|0,1,0]=3 1311 B7R0.4 CCNCCN(C)C I166658 [0,2,0,0,0,0|2,0,0]=4 1312 B7R0.4 CCOCCC(=O)C E156453 [0,2,0,0,0,0|0,1,1]=4 1313 B7R0.4 CCOCCC(=O)O E156172 [0,2,0,0,0,0|0,1,1]=4 1314 B7R0.4 CN(C)CCCC#N D154664 [0,2,0,0,0,0|1,0,1]=4 1315 B7R0.4 CN(C)CCCCN B301211 [0,2,0,0,0,0|1,0,0]=3 1316 B7R0.4 CNCCCC(=O)O M276212 [0,2,0,0,0,0|0,1,1]=4 1317 B7R0.4 CNCCCC(=O)O M397624 [0,2,0,0,0,0|0,1,1]=4 1318 B7R0.4 CNCCCN(C)C I170434 [0,2,0,0,0,0|2,0,0]=4 1319 B7R0.4 COCCCC(=O)O M192558 [0,2,0,0,0,0|0,1,1]=4 1320 B7R0.4 [CH]CCCCC(=O)[N] P111447 [0,2,0,0,0,0|0,1,1]=4 1321 B7R0.4 [CH]CCCCC(=O)[N] P128923 [0,2,0,0,0,0|0,1,1]=4 1322 B7R0.6 CC(C)CCC(=C)C D155278 [0,2,0,0,0,0|1,0,1]=4 1323 B7R0.6 CC(C)CCC(=O)C M106666 [0,2,0,0,0,0|0,1,1]=4 1324 B7R0.6 CC(C)CCC(=O)Cl M158759 [0,2,0,0,0,0|0,1,1]=4 1325 B7R0.6 CC(C)CCC(=O)O M117869 [0,2,0,0,0,0|0,1,1]=4 1326 B7R0.6 CC(C)CCC(C)C D155219 [0,2,0,0,0,0|1,0,0]=3 1327 B7R0.6 CC(C)CCC(C)N W299301 [0,2,0,0,0,0|1,0,0]=3 1328 B7R0.6 CC(C)CCC(C)O M157779 [0,2,0,0,0,0|0,1,0]=3 1329 B7R0.6 CC(C)OCC(C)O I404594 [0,2,0,0,0,0|1,1,0]=4 1330 B7R0.6 CC(CCC(C)O)O H157400 [0,2,0,0,0,0|0,1,0]=3 1331 B7R0.6 CC(CCC(C)O)O R160953 [0,2,0,0,0,0|0,1,0]=3 1332 B7R0.6 CC(CCC(C)O)O S133391 [0,2,0,0,0,0|0,1,0]=3 1333 B7R0.8 C(CC(F)(F)F)CBr B133432 [0,2,0,0,0,0|2,0,0]=4 1334 B7R0.8 C(CC(F)(F)F)CI T162522 [0,2,0,0,0,0|2,0,0]=4 1335 B7R0.8 C(CC(F)(F)F)CO T121834 [0,2,0,0,0,0|1,1,0]=4 1336 B7R0.8 C(CS)CS(=O)(=O)[O-] S106463 [0,2,0,0,0,0|2,0,0]=4 1337 B7R0.8 CC(C)(C)OCCO E107660 [0,2,0,0,0,0|1,1,0]=4 1338 B7R0.8 CC(C)(C)SCCN T405389 [0,2,0,0,0,0|2,0,0]=4 1339 B7R0.8 CCCCC(C)(C)C D106282 [0,2,0,0,0,0|1,0,0]=3 1340 B7R0.8 CCCCC(C)(C)O M157782 [0,2,0,0,0,0|0,1,0]=3 1341 B7R0.8 CCCCP(=O)(O)O B405418 [0,2,0,0,0,0|1,1,0]=4 1342 B7R0.8 CCCCS(=O)(=O)Cl B151910 [0,2,0,0,0,0|1,1,0]=4 1343 B7R0.8 CCCCS(=O)(=O)[O-] S112988 [0,2,0,0,0,0|1,1,0]=4 1344 B7R0.8 CCCCS(=O)(=O)[O-] S118662 [0,2,0,0,0,0|1,1,0]=4 1345 B7R0.8 CCCC[N+](C)(C)C B303274 [0,2,0,0,0,0|2,0,0]=4 1346 B7R0.8 CCCC[Si](C)(C)Cl B152689 [0,2,0,0,0,0|1,1,0]=4 1347 B7R0.8 CCCC[Si](C)(C)Cl B572936 [0,2,0,0,0,0|1,1,0]=4 1348 B7R0.8 CCCC[Si](Cl)(Cl)Cl B152976 [0,2,0,0,0,0|1,1,0]=4 1349 B7R0.8 CCCC[Sn](Cl)(Cl)Cl B118610 [0,2,0,0,0,0|2,0,0]=4 1350 B7R0.8 CS(=O)(=O)CCCBr B493202 [0,2,0,0,0,0|2,0,0]=4 1351 B7R0.8 C[N+](C)(C)CCCBr B110907 [0,2,0,0,0,0|2,0,0]=4 1352 B7R0.8 C[Si](C)(C)CCCCl C192212 [0,2,0,0,0,0|1,1,0]=4 1353 B7R0.8 C[Si](C)(C)CCCO T351713 [0,2,0,0,0,0|0,2,0]=4 1354 B7R0.8 C[Si](C)(CCCCl)Cl C165694 [0,2,0,0,0,0|1,1,0]=4 1355 B7R0.8 C[Si](CCCCl)(Cl)Cl C136778 [0,2,0,0,0,0|1,1,0]=4 1356 B7R0.1 C#CCCCCC#C O110225 [0,2,0,0,0,0|1,0,1]=4 1357 B7R0.1 C#CCCCCC#N H157373 [0,2,0,0,0,0|1,0,1]=4 1358 B7R0.1 C#CCCCCCO H135241 [0,2,0,0,0,0|0,1,0]=3 1359 B7R0.1 C(CCC#N)CC#N A463039 [0,2,0,0,0,0|1,0,1]=4 1360 B7R0.1 C(CCC#N)CC#N N104487 [0,2,0,0,0,0|1,0,1]=4 1361 B7R0.1 C(CCC#N)CCN A303171 [0,2,0,0,0,0|1,0,0]=3 1362 B7R0.1 C(CCC=O)CC=O A302164 [0,2,0,0,0,0|0,1,1]=4 1363 B7R0.1 C(CCCBr)CCBr D106541 [0,2,0,0,0,0|1,0,0]=3 1364 B7R0.1 C(CCCBr)CCCl B111196 [0,2,0,0,0,0|1,0,0]=3 1365 B7R0.1 C(CCCBr)CCF B405383 [0,2,0,0,0,0|1,0,0]=3 1366 B7R0.1 C(CCCBr)CCO B138834 [0,2,0,0,0,0|0,1,0]=3 1367 B7R0.1 C(CCCBr)CCO S304692 [0,2,0,0,0,0|0,1,0]=3 1368 B7R0.1 C(CCCCl)CCCl D110131 [0,2,0,0,0,0|1,0,0]=3 1369 B7R0.1 C(CCCCl)CCO C109454 [0,2,0,0,0,0|0,1,0]=3 1370 B7R0.1 C(CCCI)CCCl C153665 [0,2,0,0,0,0|1,0,0]=3 1371 B7R0.1 C(CCCI)CCI D119377 [0,2,0,0,0,0|1,0,0]=3 1372 B7R0.1 C(CCCN)CCN D134228 [0,2,0,0,0,0|1,0,0]=3 1373 B7R0.1 C(CCCN)CCN H103908 [0,2,0,0,0,0|1,0,0]=3 1374 B7R0.1 C(CCCN)CCN H103909 [0,2,0,0,0,0|1,0,0]=3 1375 B7R0.1 C(CCCN)CCN H103910 [0,2,0,0,0,0|1,0,0]=3 1376 B7R0.1 C(CCCO)CCN A101232 [0,2,0,0,0,0|0,1,0]=3 1377 B7R0.1 C(CCCO)CCO H103707 [0,2,0,0,0,0|0,1,0]=3 1378 B7R0.1 C(CCCO)CCO H103708 [0,2,0,0,0,0|0,1,0]=3 1379 B7R0.1 C(CCCS)CCN A487010 [0,2,0,0,0,0|0,0,0]=2 1380 B7R0.1 C(CCCS)CCO M123042 [0,2,0,0,0,0|0,0,0]=2 1381 B7R0.1 C(CCCS)CCO M299208 [0,2,0,0,0,0|0,0,0]=2 1382 B7R0.1 C(CCCS)CCS H106695 [0,2,0,0,0,0|0,0,0]=2 1383 B7R0.1 C(CCC[NH3+])CC[NH3+] H292837 [0,2,0,0,0,0|1,0,0]=3 1384 B7R0.1 C(CCC[NH3+])CC[NH3+] H292848 [0,2,0,0,0,0|1,0,0]=3 1385 B7R0.1 C(CCC[NH3+])CC[NH3+] H492699 [0,2,0,0,0,0|1,0,0]=3 1386 B7R0.1 C(CN)CNCCO N184580 [0,2,0,0,0,0|0,1,0]=3 1387 B7R0.1 C(CN)CNCCS A134805 [0,2,0,0,0,0|0,0,0]=2 1388 B7R0.1 C(CNCCN)CO N159094 [0,2,0,0,0,0|0,1,0]=3 1389 B7R0.1 C(CO)C=CCCO H341806 [0,2,0,0,0,0|0,1,1]=4 1390 B7R0.1 C(CSSCCN)N C153647 [0,2,0,0,0,0|2,0,0]=4 1391 B7R0.1 C(CSSCCN)N C424758 [0,2,0,0,0,0|2,0,0]=4 1392 B7R0.1 C(CSSCCN)N C597659 [0,2,0,0,0,0|2,0,0]=4 1393 B7R0.1 C(CSSCCN)N D589340 [0,2,0,0,0,0|2,0,0]=4 1394 B7R0.1 C(CSSCCO)O B152479 [0,2,0,0,0,0|1,1,0]=4 1395 B7R0.1 C(CSSCCO)O B298701 [0,2,0,0,0,0|1,1,0]=4 1396 B7R0.1 C(CSSCCO)O B598951 [0,2,0,0,0,0|1,1,0]=4 1397 B7R0.1 C(C[Se][Se]CCN)N D303521 [0,2,0,0,0,0|2,0,0]=4 1398 B7R0.1 C=CCCCCC=C O159998 [0,2,0,0,0,0|1,0,1]=4 1399 B7R0.1 C=CCCCCCBr B134159 [0,2,0,0,0,0|1,0,0]=3 1400 B7R0.1 C=CCCCCCO H156869 [0,2,0,0,0,0|0,1,0]=3 1401 B7R0.1 C=COCCCCO T161688 [0,2,0,0,0,0|0,1,1]=4 1402 B7R0.1 C=COCCCCO T299067 [0,2,0,0,0,0|0,1,1]=4 1403 B7R0.1 CCC=CCCC=O C154040 [0,2,0,0,0,0|0,1,1]=4 1404 B7R0.1 CCC=CCCCO C153484 [0,2,0,0,0,0|0,1,0]=3 1405 B7R0.1 CCCC#CCCC O106927 [0,2,0,0,0,0|1,0,0]=3 1406 B7R0.1 CCCC#CCCO H157374 [0,2,0,0,0,0|0,1,0]=3 1407 B7R0.1 CCCC=CCCC C153585 [0,2,0,0,0,0|1,0,0]=3 1408 B7R0.1 CCCC=CCCC T161815 [0,2,0,0,0,0|1,0,0]=3 1409 B7R0.1 CCCC=CCCO C332847 [0,2,0,0,0,0|0,1,0]=3 1410 B7R0.1 CCCCC=CC=O T161484 [0,2,0,0,0,0|0,1,1]=4 1411 B7R0.1 CCCCC=CCC C153584 [0,2,0,0,0,0|1,0,0]=3 1412 B7R0.1 CCCCC=CCC T161817 [0,2,0,0,0,0|1,0,0]=3 1413 B7R0.1 CCCCC=CCO T161435 [0,2,0,0,0,0|0,1,0]=3 1414 B7R0.1 CCCCCC=CC C153583 [0,2,0,0,0,0|1,0,0]=3 1415 B7R0.1 CCCCCC=CC O159996 [0,2,0,0,0,0|1,0,0]=3 1416 B7R0.1 CCCCCC=CC T161814 [0,2,0,0,0,0|1,0,0]=3 1417 B7R0.1 CCCCCCC#C O109633 [0,2,0,0,0,0|1,0,0]=3 1418 B7R0.1 CCCCCCC#N H156965 [0,2,0,0,0,0|1,0,0]=3 1419 B7R0.1 CCCCCCC=C O108659 [0,2,0,0,0,0|1,0,0]=3 1420 B7R0.1 CCCCCCC=C O108660 [0,2,0,0,0,0|1,0,0]=3 1421 B7R0.1 CCCCCCC=O H105934 [0,2,0,0,0,0|0,1,0]=3 1422 B7R0.1 CCCCCCC=O H105935 [0,2,0,0,0,0|0,1,0]=3 1423 B7R0.1 CCCCCCCBr B109258 [0,2,0,0,0,0|1,0,0]=3 1424 B7R0.1 CCCCCCCC O100577 [0,2,0,0,0,0|1,0,0]=3 1425 B7R0.1 CCCCCCCC O100578 [0,2,0,0,0,0|1,0,0]=3 1426 B7R0.1 CCCCCCCC O100580 [0,2,0,0,0,0|1,0,0]=3 1427 B7R0.1 CCCCCCCC O100581 [0,2,0,0,0,0|1,0,0]=3 1428 B7R0.1 CCCCCCCC O119714 [0,2,0,0,0,0|1,0,0]=3 1429 B7R0.1 CCCCCCCCl C153657 [0,2,0,0,0,0|1,0,0]=3 1430 B7R0.1 CCCCCCCI I157581 [0,2,0,0,0,0|1,0,0]=3 1431 B7R0.1 CCCCCCCN H113175 [0,2,0,0,0,0|1,0,0]=3 1432 B7R0.1 CCCCCCCO H108210 [0,2,0,0,0,0|0,1,0]=3 1433 B7R0.1 CCCCCCCO H108211 [0,2,0,0,0,0|0,1,0]=3 1434 B7R0.1 CCCCCCCO H108212 [0,2,0,0,0,0|0,1,0]=3 1435 B7R0.1 CCCCCCCS H102322 [0,2,0,0,0,0|0,0,0]=2 1436 B7R0.1 CCCCCCNC N341547 [0,2,0,0,0,0|1,0,0]=3 1437 B7R0.1 CCCCCCOC H157292 [0,2,0,0,0,0|0,1,0]=3 1438 B7R0.1 CCCCCN=C=O P352487 [0,2,0,0,0,0|0,1,0]=3 1439 B7R0.1 CCCCCOC=O A151451 [0,2,0,0,0,0|0,1,0]=3 1440 B7R0.1 CCCCCON=O A151126 [0,2,0,0,0,0|0,1,0]=3 1441 B7R0.1 CCCCNCCN N159361 [0,2,0,0,0,0|1,0,0]=3 1442 B7R0.1 CCCCNCCO B140397 [0,2,0,0,0,0|0,1,0]=3 1443 B7R0.1 CCCCNCCO B299088 [0,2,0,0,0,0|0,1,0]=3 1444 B7R0.1 CCCCNCCS B469395 [0,2,0,0,0,0|0,0,0]=2 1445 B7R0.1 CCCCOCC=C A151096 [0,2,0,0,0,0|1,0,0]=3 1446 B7R0.1 CCCCOCCCl B152831 [0,2,0,0,0,0|1,0,0]=3 1447 B7R0.1 CCCCOCCN B357161 [0,2,0,0,0,0|1,0,0]=3 1448 B7R0.1 CCCCOCCO E110823 [0,2,0,0,0,0|0,1,0]=3 1449 B7R0.1 CCCCOCCO E110827 [0,2,0,0,0,0|0,1,0]=3 1450 B7R0.1 CCCNCCCN I168897 [0,2,0,0,0,0|1,0,0]=3 1451 B7R0.1 CCCNCCOC N158962 [0,2,0,0,0,0|0,1,0]=3 1452 B7R0.1 CCCSSCC=C A103096 [0,2,0,0,0,0|1,0,1]=4 1453 B7R0.1 CCCSSCCC D102910 [0,2,0,0,0,0|1,0,0]=3 1454 B7R0.1 CCNCCNCC N159359 [0,2,0,0,0,0|1,0,0]=3 1455 B7R0.1 CCOCCOCC E103986 [0,2,0,0,0,0|1,0,0]=3 1456 B7R0.1 CCOCCOCC E103987 [0,2,0,0,0,0|1,0,0]=3 1457 B7R0.1 CCOCCOCC E103989 [0,2,0,0,0,0|1,0,0]=3 1458 B7R0.1 COCCCN=C=S M300049 [0,2,0,0,0,0|0,0,2]=4 1459 B7R0.1 COCCOCCBr B152835 [0,2,0,0,0,0|1,0,0]=3 1460 B7R0.1 COCCOCCI I586239 [0,2,0,0,0,0|1,0,0]=3 1461 B7R0.1 COCCOCCN M122033 [0,2,0,0,0,0|1,0,0]=3 1462 B7R0.1 COCCOCCO D104406 [0,2,0,0,0,0|0,1,0]=3 1463 B7R0.1 COCCOCCO D104407 [0,2,0,0,0,0|0,1,0]=3 1464 B7R0.1 COCCOCCO D104408 [0,2,0,0,0,0|0,1,0]=3 1465 B7R0.1 CSCCCN=C=S M133859 [0,2,0,0,0,0|0,0,2]=4 1466 B5R1.1 C1CC=CC1 C104477 [1,0,0,1,0,0|0,0,2]=4 1467 B5R1.1 C1CC=CC1 C104479 [1,0,0,1,0,0|0,0,2]=4 1468 B5R1.1 C1CC=CC1 C104480 [1,0,0,1,0,0|0,0,2]=4 1469 B5R1.1 C1CCCC1 C103394 [1,0,0,1,0,0|0,0,0]=2 1470 B5R1.1 C1CCCC1 C103397 [1,0,0,1,0,0|0,0,0]=2 1471 B5R1.1 C1CCCC1 C103398 [1,0,0,1,0,0|0,0,0]=2 1472 B5R1.1 C1CCCC1 C103399 [1,0,0,1,0,0|0,0,0]=2 1473 B5R1.1 C1CCCC1 C103400 [1,0,0,1,0,0|0,0,0]=2 1474 B5R1.1 C1CCCC1 C139938 [1,0,0,1,0,0|0,0,0]=2 1475 B5R1.1 C1CCNC1 P108562 [1,0,0,1,0,0|1,0,0]=3 1476 B5R1.1 C1CCNC1 P160143 [1,0,0,1,0,0|1,0,0]=3 1477 B5R1.1 C1CCNC1 P160705 [1,0,0,1,0,0|1,0,0]=3 1478 B5R1.1 C1CCNC1 P301661 [1,0,0,1,0,0|1,0,0]=3 1479 B5R1.1 C1CCOC1 B110263 [1,0,0,1,0,0|0,1,0]=3 1480 B5R1.1 C1CCOC1 B300059 [1,0,0,1,0,0|0,1,0]=3 1481 B5R1.1 C1CCOC1 C333316 [1,0,0,1,0,0|0,1,0]=3 1482 B5R1.1 C1CCOC1 T102271 [1,0,0,1,0,0|0,1,0]=3 1483 B5R1.1 C1CCOC1 T102272 [1,0,0,1,0,0|0,1,0]=3 1484 B5R1.1 C1CCOC1 T103259 [1,0,0,1,0,0|0,1,0]=3 1485 B5R1.1 C1CCOC1 T103260 [1,0,0,1,0,0|0,1,0]=3 1486 B5R1.1 C1CCOC1 T103262 [1,0,0,1,0,0|0,1,0]=3 1487 B5R1.1 C1CCOC1 T103263 [1,0,0,1,0,0|0,1,0]=3 1488 B5R1.1 C1CCOC1 T103264 [1,0,0,1,0,0|0,1,0]=3 1489 B5R1.1 C1CCOC1 T103266 [1,0,0,1,0,0|0,1,0]=3 1490 B5R1.1 C1CCOC1 T120775 [1,0,0,1,0,0|0,1,0]=3 1491 B5R1.1 C1CCOC1 T282609 [1,0,0,1,0,0|0,1,0]=3 1492 B5R1.1 C1CCOC1 T303408 [1,0,0,1,0,0|0,1,0]=3 1493 B5R1.1 C1CCOC1 T407518 [1,0,0,1,0,0|0,1,0]=3 1494 B5R1.1 C1CCOC1 T431414 [1,0,0,1,0,0|0,1,0]=3 1495 B5R1.1 C1CCSC1 T107485 [1,0,0,1,0,0|0,0,0]=2 1496 B5R1.1 C1CC[CH-]C1 C466404 [1,0,0,1,0,0|0,0,1]=3 1497 B5R1.1 C1CNOC1 I157665 [1,0,0,1,0,0|1,1,0]=4 1498 B5R1.1 C1COCO1 D105894 [1,0,0,1,0,0|1,1,0]=4 1499 B5R1.1 C1COCO1 D105895 [1,0,0,1,0,0|1,1,0]=4 1500 B5R1.1 C1COCO1 D119723 [1,0,0,1,0,0|1,1,0]=4 1501 B5R1.1 C1CSCN1 T101324 [1,0,0,1,0,0|1,0,0]=3 1502 B5R1.2 C1C(CN1)F F134511 [1,0,0,1,0,0|2,0,0]=4 1503 B5R1.2 C1C(CN1)N A171689 [1,0,0,1,0,0|2,0,0]=4 1504 B5R1.2 C1C(CN1)O H102085 [1,0,0,1,0,0|1,1,0]=4 1505 B5R1.2 C1C(CO1)Br B170097 [1,0,0,1,0,0|2,0,0]=4 1506 B5R1.2 C1C(CO1)I I134383 [1,0,0,1,0,0|2,0,0]=4 1507 B5R1.2 C1C(CO1)N O135359 [1,0,0,1,0,0|2,0,0]=4 1508 B5R1.2 C1C(CO1)N O589249 [1,0,0,1,0,0|2,0,0]=4 1509 B5R1.2 C1C(CO1)O H123582 [1,0,0,1,0,0|1,1,0]=4 1510 B5R1.2 C1C(CS1)N T173228 [1,0,0,1,0,0|2,0,0]=4 1511 B5R1.2 C1CC(=O)C1 C107836 [1,0,0,1,0,0|0,1,1]=4 1512 B5R1.2 C1CC(C1)Br C107837 [1,0,0,1,0,0|1,0,0]=3 1513 B5R1.2 C1CC(C1)Cl C115990 [1,0,0,1,0,0|1,0,0]=3 1514 B5R1.2 C1CC(C1)N C113777 [1,0,0,1,0,0|1,0,0]=3 1515 B5R1.2 C1CC(C1)N P117243 [1,0,0,1,0,0|1,0,0]=3 1516 B5R1.2 C1CC(C1)O C101572 [1,0,0,1,0,0|0,1,0]=3 1517 B5R1.2 C=C1CCC1 M332850 [1,0,0,1,0,0|0,0,2]=4 1518 B5R1.3 C#CC1CC1 C108075 [1,0,0,1,0,0|0,0,2]=4 1519 B5R1.3 C1C(O1)CCl E100521 [1,0,0,1,0,0|1,1,0]=4 1520 B5R1.3 C1C(O1)CCl E108181 [1,0,0,1,0,0|1,1,0]=4 1521 B5R1.3 C1C(O1)CCl E108182 [1,0,0,1,0,0|1,1,0]=4 1522 B5R1.3 C1C(O1)CCl E108184 [1,0,0,1,0,0|1,1,0]=4 1523 B5R1.3 C1C(O1)CCl E108185 [1,0,0,1,0,0|1,1,0]=4 1524 B5R1.3 C1C(O1)CCl E109298 [1,0,0,1,0,0|1,1,0]=4 1525 B5R1.3 C1C(O1)CCl E137334 [1,0,0,1,0,0|1,1,0]=4 1526 B5R1.3 C1C(O1)CCl E325686 [1,0,0,1,0,0|1,1,0]=4 1527 B5R1.3 C1C(O1)CCl E401255 [1,0,0,1,0,0|1,1,0]=4 1528 B5R1.3 C1C(O1)CF E352987 [1,0,0,1,0,0|1,1,0]=4 1529 B5R1.3 C1C(O1)CO G106989 [1,0,0,1,0,0|1,1,0]=4 1530 B5R1.3 C1C(O1)CO R119621 [1,0,0,1,0,0|1,1,0]=4 1531 B5R1.3 C1C(O1)CO S119620 [1,0,0,1,0,0|1,1,0]=4 1532 B5R1.3 C1CC1C#N C153826 [1,0,0,1,0,0|1,0,1]=4 1533 B5R1.3 C1CC1C=O C106978 [1,0,0,1,0,0|0,1,1]=4 1534 B5R1.3 C1CC1CBr B109676 [1,0,0,1,0,0|1,0,0]=3 1535 B5R1.3 C1CC1CCl C104287 [1,0,0,1,0,0|1,0,0]=3 1536 B5R1.3 C1CC1CI I464078 [1,0,0,1,0,0|1,0,0]=3 1537 B5R1.3 C1CC1CN C153637 [1,0,0,1,0,0|1,0,0]=3 1538 B5R1.3 C1CC1CN C339737 [1,0,0,1,0,0|1,0,0]=3 1539 B5R1.3 C1CC1CO C108023 [1,0,0,1,0,0|0,1,0]=3 1540 B5R1.3 C1CC1CO C108024 [1,0,0,1,0,0|0,1,0]=3 1541 B5R1.3 CCC1CO1 B123067 [1,0,0,1,0,0|0,1,0]=3 1542 B5R1.3 CCC1CO1 B152236 [1,0,0,1,0,0|0,1,0]=3 1543 B5R1.3 CCC1CO1 E123068 [1,0,0,1,0,0|0,1,0]=3 1544 B5R1.3 CNC1CC1 N177134 [1,0,0,1,0,0|1,0,0]=3 1545 B5R1.4 CC1C(O1)C C349177 [1,0,0,1,0,0|1,0,0]=3 1546 B7R1.1 C1C=CCC1CO C175895 [0,1,0,1,0,0|0,1,1]=4 1547 B7R1.1 C1CC(NC1)CN A121648 [0,1,0,1,0,0|1,0,0]=3 1548 B7R1.1 C1CC(NC1)CO P106015 [0,1,0,1,0,0|0,1,0]=3 1549 B7R1.1 C1CC(NC1)CO P117145 [0,1,0,1,0,0|0,1,0]=3 1550 B7R1.1 C1CC(NC1)CO P133858 [0,1,0,1,0,0|0,1,0]=3 1551 B7R1.1 C1CC(OC1)C=O T479472 [0,1,0,1,0,0|0,1,1]=4 1552 B7R1.1 C1CC(OC1)CBr T161718 [0,1,0,1,0,0|0,1,0]=3 1553 B7R1.1 C1CC(OC1)CCl T109587 [0,1,0,1,0,0|0,1,0]=3 1554 B7R1.1 C1CC(OC1)CN T111157 [0,1,0,1,0,0|0,1,0]=3 1555 B7R1.1 C1CC(OC1)CN T113724 [0,1,0,1,0,0|0,1,0]=3 1556 B7R1.1 C1CC(OC1)CN T119768 [0,1,0,1,0,0|0,1,0]=3 1557 B7R1.1 C1CC(OC1)CO T105718 [0,1,0,1,0,0|0,1,0]=3 1558 B7R1.1 C1CC(OC1)CO T105720 [0,1,0,1,0,0|0,1,0]=3 1559 B7R1.1 C1CCC(=NO)C1 C138083 [0,1,0,1,0,0|0,1,1]=4 1560 B7R1.1 C1CCC(C1)C#N C124215 [0,1,0,1,0,0|1,0,0]=3 1561 B7R1.1 C1CCC(C1)C=O C122650 [0,1,0,1,0,0|0,1,0]=3 1562 B7R1.1 C1CCC(C1)CBr B184164 [0,1,0,1,0,0|1,0,0]=3 1563 B7R1.1 C1CCC(C1)CI I169233 [0,1,0,1,0,0|1,0,0]=3 1564 B7R1.1 C1CCC(C1)CN C176870 [0,1,0,1,0,0|1,0,0]=3 1565 B7R1.1 C1CCC(C1)CO C121238 [0,1,0,1,0,0|0,1,0]=3 1566 B7R1.1 C1CCC(C1)NN C168940 [0,1,0,1,0,0|1,0,0]=3 1567 B7R1.1 C1CCN(C1)C#N P160518 [0,1,0,1,0,0|1,0,1]=4 1568 B7R1.1 C1CCN(C1)C=O F469140 [0,1,0,1,0,0|0,1,1]=4 1569 B7R1.1 C1CCN(C1)N=O N111145 [0,1,0,1,0,0|1,1,0]=4 1570 B7R1.1 C1CCN(C1)N=O N114388 [0,1,0,1,0,0|1,1,0]=4 1571 B7R1.1 C1CNCC1C#N P172391 [0,1,0,1,0,0|1,0,1]=4 1572 B7R1.1 C1CNCC1C#N R172183 [0,1,0,1,0,0|1,0,1]=4 1573 B7R1.1 C1CNCC1C#N S172182 [0,1,0,1,0,0|1,0,1]=4 1574 B7R1.1 C1COC(O1)CBr B153145 [0,1,0,1,0,0|1,1,0]=4 1575 B7R1.1 C1COC(O1)CCl C153298 [0,1,0,1,0,0|1,1,0]=4 1576 B7R1.1 C1COC(O1)CN A151048 [0,1,0,1,0,0|1,1,0]=4 1577 B7R1.1 C1COC(O1)CO D193991 [0,1,0,1,0,0|1,1,0]=4 1578 B7R1.1 C1COCC1C=O T304657 [0,1,0,1,0,0|0,1,1]=4 1579 B7R1.1 C1COCC1CBr B174868 [0,1,0,1,0,0|1,0,0]=3 1580 B7R1.1 C1COCC1CN A167762 [0,1,0,1,0,0|1,0,0]=3 1581 B7R1.1 C1COCC1CN A168112 [0,1,0,1,0,0|1,0,0]=3 1582 B7R1.1 C1COCC1CO T136105 [0,1,0,1,0,0|0,1,0]=3 1583 B7R1.1 CCC1=NCCN1 E156339 [0,1,0,1,0,0|1,0,1]=4 1584 B7R1.1 CCC1=NCCO1 E137961 [0,1,0,1,0,0|0,1,1]=4 1585 B7R1.1 CCC1=NCCO1 P303248 [0,1,0,1,0,0|0,1,1]=4 1586 B7R1.1 CCC1=NCCO1 P432473 [0,1,0,1,0,0|0,1,1]=4 1587 B7R1.1 CCC1=NCCO1 P432474 [0,1,0,1,0,0|0,1,1]=4 1588 B7R1.1 CCC1CCCC1 E156243 [0,1,0,1,0,0|1,0,0]=3 1589 B7R1.1 CCN1CCCC1 E156259 [0,1,0,1,0,0|1,0,0]=3 1590 B7R1.1 CNC1CCNC1 M124586 [0,1,0,1,0,0|2,0,0]=4 1591 B7R1.1 COC1CCCC1 C102202 [0,1,0,1,0,0|0,1,0]=3 1592 B7R1.1 COC1CCCC1 C119688 [0,1,0,1,0,0|0,1,0]=3 1593 B7R1.1 COC1CCCC1 C298967 [0,1,0,1,0,0|0,1,0]=3 1594 B7R1.1 COC1CCNC1 R176558 [0,1,0,1,0,0|1,1,0]=4 1595 B7R1.1 COC1CCNC1 S177181 [0,1,0,1,0,0|1,1,0]=4 1596 B7R1.1 COC1CCNC1 S586566 [0,1,0,1,0,0|1,1,0]=4 1597 B7R1.1 COC1OCCO1 M157786 [0,1,0,1,0,0|1,1,0]=4 1598 B7R1.1 CSC1=NCCS1 M123595 [0,1,0,1,0,0|1,0,1]=4 1599 B7R1.1 [C-]#[N+]C1CCCC1 C153259 [0,1,0,1,0,0|1,0,0]=3 1600 B7R1.2 C1CC(CC1N)O R173195 [0,1,0,1,0,0|0,1,0]=3 1601 B7R1.2 C1CC(CC1N)O S587381 [0,1,0,1,0,0|0,1,0]=3 1602 B7R1.2 C1CC(CC1N)O T172883 [0,1,0,1,0,0|0,1,0]=3 1603 B7R1.2 C1CC(CC1O)O C153245 [0,1,0,1,0,0|0,1,0]=3 1604 B7R1.2 CC1CCC(=O)C1 M113659 [0,1,0,1,0,0|0,1,1]=4 1605 B7R1.2 CC1CCC(=O)N1 M158429 [0,1,0,1,0,0|0,1,1]=4 1606 B7R1.2 CC1CCC(=O)O1 V106294 [0,1,0,1,0,0|0,1,1]=4 1607 B7R1.2 CC1CCC(C1)O M351118 [0,1,0,1,0,0|0,1,0]=3 1608 B7R1.2 CC1CCC(N1)C D169683 [0,1,0,1,0,0|1,0,0]=3 1609 B7R1.2 CC1CCC(O1)C D155243 [0,1,0,1,0,0|0,1,0]=3 1610 B7R1.2 CC1COC(O1)C D404099 [0,1,0,1,0,0|1,1,0]=4 1611 B7R1.2 CN1CCC(C1)N M173360 [0,1,0,1,0,0|2,0,0]=4 1612 B7R1.2 CN1CCC(C1)O M107932 [0,1,0,1,0,0|1,1,0]=4 1613 B7R1.2 CN1CCC(C1)O M119144 [0,1,0,1,0,0|1,1,0]=4 1614 B7R1.2 CN1CCC(C1)O M121670 [0,1,0,1,0,0|1,1,0]=4 1615 B7R1.3 C1C(COCO1)O G141045 [0,1,0,1,0,0|1,1,0]=4 1616 B7R1.3 C1CC(=O)CNC1 P301951 [0,1,0,1,0,0|0,1,1]=4 1617 B7R1.3 C1CC(=O)COC1 O175840 [0,1,0,1,0,0|0,1,1]=4 1618 B7R1.3 C1CC(CNC1)F F166180 [0,1,0,1,0,0|1,0,0]=3 1619 B7R1.3 C1CC(CNC1)N A119349 [0,1,0,1,0,0|1,0,0]=3 1620 B7R1.3 C1CC(CNC1)N A121532 [0,1,0,1,0,0|1,0,0]=3 1621 B7R1.3 C1CC(CNC1)N A121533 [0,1,0,1,0,0|1,0,0]=3 1622 B7R1.3 C1CC(CNC1)N A151173 [0,1,0,1,0,0|1,0,0]=3 1623 B7R1.3 C1CC(CNC1)N R586890 [0,1,0,1,0,0|1,0,0]=3 1624 B7R1.3 C1CC(CNC1)O H119140 [0,1,0,1,0,0|0,1,0]=3 1625 B7R1.3 C1CC(CNC1)O H119141 [0,1,0,1,0,0|0,1,0]=3 1626 B7R1.3 C1CC(CNC1)O H123507 [0,1,0,1,0,0|0,1,0]=3 1627 B7R1.3 C1CC(CNC1)O H123509 [0,1,0,1,0,0|0,1,0]=3 1628 B7R1.3 C1CC(CNC1)O S588362 [0,1,0,1,0,0|0,1,0]=3 1629 B7R1.3 C1CC(COC1)N S172896 [0,1,0,1,0,0|0,1,0]=3 1630 B7R1.3 C1CC(COC1)O O175461 [0,1,0,1,0,0|0,1,0]=3 1631 B7R1.3 C1CC=CC(C1)Br B152008 [0,1,0,1,0,0|1,0,1]=4 1632 B7R1.3 C1CC=CC(C1)O C137053 [0,1,0,1,0,0|0,1,1]=4 1633 B7R1.3 C1CCC(=O)CC1 C116449 [0,1,0,1,0,0|0,1,0]=3 1634 B7R1.3 C1CCC(=O)CC1 C116451 [0,1,0,1,0,0|0,1,0]=3 1635 B7R1.3 C1CCC(=O)CC1 C116453 [0,1,0,1,0,0|0,1,0]=3 1636 B7R1.3 C1CCC(=O)CC1 C116454 [0,1,0,1,0,0|0,1,0]=3 1637 B7R1.3 C1CCC(=O)CC1 C295202 [0,1,0,1,0,0|0,1,0]=3 1638 B7R1.3 C1CCC(=O)CC1 C471914 [0,1,0,1,0,0|0,1,0]=3 1639 B7R1.3 C1CCC(=O)CC1 C615386 [0,1,0,1,0,0|0,1,0]=3 1640 B7R1.3 C1CCC(CC1)Br B109675 [0,1,0,1,0,0|1,0,0]=3 1641 B7R1.3 C1CCC(CC1)Cl C106088 [0,1,0,1,0,0|1,0,0]=3 1642 B7R1.3 C1CCC(CC1)F F156720 [0,1,0,1,0,0|1,0,0]=3 1643 B7R1.3 C1CCC(CC1)I I157579 [0,1,0,1,0,0|1,0,0]=3 1644 B7R1.3 C1CCC(CC1)N C103892 [0,1,0,1,0,0|1,0,0]=3 1645 B7R1.3 C1CCC(CC1)N C105033 [0,1,0,1,0,0|1,0,0]=3 1646 B7R1.3 C1CCC(CC1)N C105034 [0,1,0,1,0,0|1,0,0]=3 1647 B7R1.3 C1CCC(CC1)N C105035 [0,1,0,1,0,0|1,0,0]=3 1648 B7R1.3 C1CCC(CC1)N C105036 [0,1,0,1,0,0|1,0,0]=3 1649 B7R1.3 C1CCC(CC1)N C136515 [0,1,0,1,0,0|1,0,0]=3 1650 B7R1.3 C1CCC(CC1)N C405536 [0,1,0,1,0,0|1,0,0]=3 1651 B7R1.3 C1CCC(CC1)N C492170 [0,1,0,1,0,0|1,0,0]=3 1652 B7R1.3 C1CCC(CC1)N C492176 [0,1,0,1,0,0|1,0,0]=3 1653 B7R1.3 C1CCC(CC1)O C110399 [0,1,0,1,0,0|0,1,0]=3 1654 B7R1.3 C1CCC(CC1)O C110400 [0,1,0,1,0,0|0,1,0]=3 1655 B7R1.3 C1CCC(CC1)O C110401 [0,1,0,1,0,0|0,1,0]=3 1656 B7R1.3 C1CCC(CC1)O C121272 [0,1,0,1,0,0|0,1,0]=3 1657 B7R1.3 C1CCC(CC1)S C107602 [0,1,0,1,0,0|0,0,0]=2 1658 B7R1.3 C1CCC(CC1)[NH3+] C494008 [0,1,0,1,0,0|1,0,0]=3 1659 B7R1.3 C1CCN(CC1)N A103012 [0,1,0,1,0,0|1,0,0]=3 1660 B7R1.3 C1CCN(CC1)N A113934 [0,1,0,1,0,0|1,0,0]=3 1661 B7R1.3 C1CCNC(=O)C1 P160613 [0,1,0,1,0,0|0,1,1]=4 1662 B7R1.3 C1CCOC(=O)C1 V100560 [0,1,0,1,0,0|0,1,1]=4 1663 B7R1.3 C1CNCCC1Br B123508 [0,1,0,1,0,0|1,0,0]=3 1664 B7R1.3 C1CNCCC1Cl C153867 [0,1,0,1,0,0|1,0,0]=3 1665 B7R1.3 C1CNCCC1Cl C185077 [0,1,0,1,0,0|1,0,0]=3 1666 B7R1.3 C1CNCCC1F F171054 [0,1,0,1,0,0|1,0,0]=3 1667 B7R1.3 C1CNCCC1F F590177 [0,1,0,1,0,0|1,0,0]=3 1668 B7R1.3 C1CNCCC1N A103195 [0,1,0,1,0,0|1,0,0]=3 1669 B7R1.3 C1CNCCC1O H106359 [0,1,0,1,0,0|0,1,0]=3 1670 B7R1.3 C1CNCCC1O H138960 [0,1,0,1,0,0|0,1,0]=3 1671 B7R1.3 C1COCCC1=O T107483 [0,1,0,1,0,0|0,1,1]=4 1672 B7R1.3 C1COCCC1Br B169075 [0,1,0,1,0,0|0,1,0]=3 1673 B7R1.3 C1COCCC1Cl C120070 [0,1,0,1,0,0|0,1,0]=3 1674 B7R1.3 C1COCCC1I I175912 [0,1,0,1,0,0|0,1,0]=3 1675 B7R1.3 C1COCCC1N A102316 [0,1,0,1,0,0|0,1,0]=3 1676 B7R1.3 C1COCCC1N O176150 [0,1,0,1,0,0|0,1,0]=3 1677 B7R1.3 C1COCCC1O T119338 [0,1,0,1,0,0|0,1,0]=3 1678 B7R1.3 C1COCCN1N A151029 [0,1,0,1,0,0|1,1,0]=4 1679 B7R1.3 C1CSCCC1=O T121984 [0,1,0,1,0,0|0,0,1]=3 1680 B7R1.3 C1CSCCC1N T588299 [0,1,0,1,0,0|0,0,0]=2 1681 B7R1.3 C1CSCCC1O T161724 [0,1,0,1,0,0|0,0,0]=2 1682 B7R1.3 C=C1CCCCC1 M158229 [0,1,0,1,0,0|1,0,0]=3 1683 B7R1.3 CC1=CCCCC1 M158209 [0,1,0,1,0,0|1,0,0]=3 1684 B7R1.3 CC1=CCNCC1 M178460 [0,1,0,1,0,0|1,0,1]=4 1685 B7R1.3 CC1CCCC=C1 M158227 [0,1,0,1,0,0|1,0,0]=3 1686 B7R1.3 CC1CCCCC1 M103329 [0,1,0,1,0,0|1,0,0]=3 1687 B7R1.3 CC1CCCCC1 M103330 [0,1,0,1,0,0|1,0,0]=3 1688 B7R1.3 CC1CCCCC1 M103331 [0,1,0,1,0,0|1,0,0]=3 1689 B7R1.3 CC1CCCCC1 M118385 [0,1,0,1,0,0|1,0,0]=3 1690 B7R1.3 CC1CCCCC1 M119670 [0,1,0,1,0,0|1,0,0]=3 1691 B7R1.3 CC1CCCCN1 I169537 [0,1,0,1,0,0|1,0,0]=3 1692 B7R1.3 CC1CCCCN1 M106737 [0,1,0,1,0,0|1,0,0]=3 1693 B7R1.3 CC1CCCNC1 M158771 [0,1,0,1,0,0|1,0,0]=3 1694 B7R1.3 CC1CCCNC1 R588230 [0,1,0,1,0,0|1,0,0]=3 1695 B7R1.3 CC1CCCNC1 S191141 [0,1,0,1,0,0|1,0,0]=3 1696 B7R1.3 CC1CCNCC1 M158650 [0,1,0,1,0,0|1,0,0]=3 1697 B7R1.3 CC1CCOCO1 M158047 [0,1,0,1,0,0|0,1,0]=3 1698 B7R1.3 CC1CNCCN1 M103218 [0,1,0,1,0,0|1,0,0]=3 1699 B7R1.3 CC1CNCCN1 M120020 [0,1,0,1,0,0|1,0,0]=3 1700 B7R1.3 CC1CNCCN1 R160832 [0,1,0,1,0,0|1,0,0]=3 1701 B7R1.3 CC1CNCCO1 M588524 [0,1,0,1,0,0|0,1,0]=3 1702 B7R1.3 CC1CNCCO1 R174894 [0,1,0,1,0,0|0,1,0]=3 1703 B7R1.3 CC1CNCCO1 S172145 [0,1,0,1,0,0|0,1,0]=3 1704 B7R1.3 CC1COCCN1 M193354 [0,1,0,1,0,0|1,0,0]=3 1705 B7R1.3 CC1COCCN1 R160948 [0,1,0,1,0,0|1,0,0]=3 1706 B7R1.3 CC1COCCN1 R177343 [0,1,0,1,0,0|1,0,0]=3 1707 B7R1.3 CC1COCCN1 S176218 [0,1,0,1,0,0|1,0,0]=3 1708 B7R1.3 CC1COCCN1 S189368 [0,1,0,1,0,0|1,0,0]=3 1709 B7R1.3 CC1SCCCS1 M171134 [0,1,0,1,0,0|0,0,0]=2 1710 B7R1.3 CN1CCCCC1 M106736 [0,1,0,1,0,0|1,0,0]=3 1711 B7R1.3 CN1CCNCC1 M108683 [0,1,0,1,0,0|2,0,0]=4 1712 B7R1.3 CN1CCNCC1 M108684 [0,1,0,1,0,0|2,0,0]=4 1713 B7R1.3 CN1CCNCC1 M136564 [0,1,0,1,0,0|2,0,0]=4 1714 B7R1.3 CN1CCOCC1 M104641 [0,1,0,1,0,0|1,1,0]=4 1715 B7R1.3 CN1CCOCC1 M104642 [0,1,0,1,0,0|1,1,0]=4 1716 B7R1.3 CN1CCOCC1 M104643 [0,1,0,1,0,0|1,1,0]=4 1717 B7R1.3 CN1CCOCC1 M104644 [0,1,0,1,0,0|1,1,0]=4 1718 B7R1.3 CN1CCOCC1 M588891 [0,1,0,1,0,0|1,1,0]=4 1719 B7R1.3 C[Si]1CCCCO1 P107083 [0,1,0,1,0,0|0,1,0]=3 1720 B7R1.3 [CH2-]C1CCCCC1 C140721 [0,1,0,1,0,0|1,0,0]=3 1721 B7R1.4 C1C(C(CN1)F)F C177782 [0,1,0,1,0,0|2,0,0]=4 1722 B7R1.4 C1C(C(CN1)O)O C175295 [0,1,0,1,0,0|1,1,0]=4 1723 B7R1.4 C1C(C(CN1)O)O P108071 [0,1,0,1,0,0|1,1,0]=4 1724 B7R1.4 C1C(C(CN1)O)O P108072 [0,1,0,1,0,0|1,1,0]=4 1725 B7R1.4 C1C(C(CN1)O)O P108073 [0,1,0,1,0,0|1,1,0]=4 1726 B7R1.4 C1C(C(CN1)O)O S178122 [0,1,0,1,0,0|1,1,0]=4 1727 B7R1.4 C1C(C(CO1)O)N A587267 [0,1,0,1,0,0|1,1,0]=4 1728 B7R1.4 C1C(C(CO1)O)O A151297 [0,1,0,1,0,0|1,1,0]=4 1729 B7R1.4 C1CC(C(=O)C1)Cl C103555 [0,1,0,1,0,0|0,1,1]=4 1730 B7R1.4 C1CC(C(=O)C1)Cl C598656 [0,1,0,1,0,0|0,1,1]=4 1731 B7R1.4 C1CC(C(C1)Br)Br T332825 [0,1,0,1,0,0|1,0,0]=3 1732 B7R1.4 C1CC(C(C1)N)N C588671 [0,1,0,1,0,0|1,0,0]=3 1733 B7R1.4 C1CC(C(C1)O)N A101741 [0,1,0,1,0,0|0,1,0]=3 1734 B7R1.4 C1CC(C(C1)O)N A101751 [0,1,0,1,0,0|0,1,0]=3 1735 B7R1.4 C1CC(C(C1)O)N A187867 [0,1,0,1,0,0|0,1,0]=3 1736 B7R1.4 C1CC(C(C1)O)N C348612 [0,1,0,1,0,0|0,1,0]=3 1737 B7R1.4 C1CC(C(C1)O)N I168764 [0,1,0,1,0,0|0,1,0]=3 1738 B7R1.4 C1CC(C(C1)O)N R465237 [0,1,0,1,0,0|0,1,0]=3 1739 B7R1.4 C1CC(C(C1)O)O I170645 [0,1,0,1,0,0|0,1,0]=3 1740 B7R1.4 C1CC(C(C1)O)O T471195 [0,1,0,1,0,0|0,1,0]=3 1741 B7R1.4 C1COC(C1Cl)Cl D155242 [0,1,0,1,0,0|1,1,0]=4 1742 B7R1.4 C1CSC(=O)C1N H108030 [0,1,0,1,0,0|1,0,1]=4 1743 B7R1.4 C1CSC(=O)C1N S169532 [0,1,0,1,0,0|1,0,1]=4 1744 B7R1.4 CC1C(=O)CCO1 M102944 [0,1,0,1,0,0|0,1,1]=4 1745 B7R1.4 CC1C(=O)CCS1 M102985 [0,1,0,1,0,0|0,0,1]=3 1746 B7R1.4 CC1C(CCO1)S M102916 [0,1,0,1,0,0|0,0,0]=2 1747 B7R1.4 CC1CCCC1=O M138029 [0,1,0,1,0,0|0,1,0]=3 1748 B7R1.4 CC1CCCC1O B300625 [0,1,0,1,0,0|0,1,0]=3 1749 B7R1.4 CC1CCOC1=O A151225 [0,1,0,1,0,0|0,1,1]=4 1750 B7R1.4 CN1CCCC1=O M100588 [0,1,0,1,0,0|0,1,1]=4 1751 B7R1.4 CN1CCCC1=O M100589 [0,1,0,1,0,0|0,1,1]=4 1752 B7R1.4 CN1CCCC1=O M100590 [0,1,0,1,0,0|0,1,1]=4 1753 B7R1.4 CN1CCCC1=O M103246 [0,1,0,1,0,0|0,1,1]=4 1754 B7R1.4 CN1CCCC1=O M103247 [0,1,0,1,0,0|0,1,1]=4 1755 B7R1.4 CN1CCCC1=O M103248 [0,1,0,1,0,0|0,1,1]=4 1756 B7R1.4 CN1CCCC1=O M103250 [0,1,0,1,0,0|0,1,1]=4 1757 B7R1.4 CN1CCCC1=O M119668 [0,1,0,1,0,0|0,1,1]=4 1758 B7R1.4 CN1CCCC1=O M434296 [0,1,0,1,0,0|0,1,1]=4 1759 B7R1.4 CN1CCCC1=S M140448 [0,1,0,1,0,0|0,0,2]=4 1760 B7R1.6 C1C(CN1)CCO A174496 [0,1,0,1,0,0|0,1,0]=3 1761 B7R1.6 C1C(CO1)CCO O175897 [0,1,0,1,0,0|0,1,0]=3 1762 B7R1.6 C1CN(C1)CCO A194559 [0,1,0,1,0,0|0,1,0]=3 1763 B7R1.10 C1C(CC1=O)CO H175239 [0,1,0,1,0,0|0,1,1]=4 1764 B7R1.10 COC1CC(C1)N T173972 [0,1,0,1,0,0|2,0,0]=4 1765 B7R1.22 C1CC1C(=O)CBr B186063 [0,1,0,1,0,0|1,0,1]=4 1766 B7R1.25 C1C(CO1)(CN)N A174452 [0,1,0,1,0,0|2,0,0]=4 1767 B7R1.25 C1C(CO1)(CO)N A166900 [0,1,0,1,0,0|1,1,0]=4 1768 B7R1.25 C1CC(C1)(CN)O A175135 [0,1,0,1,0,0|1,0,0]=3 1769 B7R1.25 C1CC(C1)(CO)N A173832 [0,1,0,1,0,0|0,1,0]=3 1770 B7R1.25 CC1(COC1)CBr B177446 [0,1,0,1,0,0|2,0,0]=4 1771 B7R1.25 CC1(COC1)CCl C153820 [0,1,0,1,0,0|2,0,0]=4 1772 B7R1.25 CC1(COC1)CN M174504 [0,1,0,1,0,0|2,0,0]=4 1773 B7R1.25 CC1(COC1)CO M104534 [0,1,0,1,0,0|1,1,0]=4 1774 B7R1.7 C=CCCC1CO1 E156386 [0,1,0,1,0,0|0,1,1]=4 1775 B7R1.7 CCCCC1CO1 E156398 [0,1,0,1,0,0|0,1,0]=3 1776 B7R1.7 CCOCC1CO1 E156388 [0,1,0,1,0,0|0,1,0]=3 1777 B7R1.12 CC1CC1C(=O)O M169350 [0,1,0,1,0,0|0,1,1]=4 1778 B7R1.14 C1CCS(=O)(=O)C1 S110939 [0,1,0,1,0,0|1,1,0]=4 1779 B7R1.14 C1CCS(=O)(=O)C1 S110940 [0,1,0,1,0,0|1,1,0]=4 1780 B7R1.14 C1CCS(=O)(=O)C1 S110941 [0,1,0,1,0,0|1,1,0]=4 1781 B7R1.14 C1CCS(=O)(=O)C1 S110942 [0,1,0,1,0,0|1,1,0]=4 1782 B7R1.14 C1CCS(=O)(=O)C1 S357666 [0,1,0,1,0,0|1,1,0]=4 1783 B7R1.14 C1CC[Si](C1)(Cl)Cl C303163 [0,1,0,1,0,0|1,1,0]=4 1784 B7R1.14 C1CNCC1(F)F D578746 [0,1,0,1,0,0|2,0,0]=4 1785 B7R1.14 C1CNCC1(F)F W132499 [0,1,0,1,0,0|2,0,0]=4 1786 B7R1.14 CC1(CCCC1)N A468531 [0,1,0,1,0,0|1,0,0]=3 1787 B7R1.14 CC1(CCCC1)O M101087 [0,1,0,1,0,0|0,1,0]=3 1788 B7R1.14 CC1(CCCN1)C D176967 [0,1,0,1,0,0|1,0,0]=3 1789 B7R1.14 CC1(CCNC1)C D177478 [0,1,0,1,0,0|2,0,0]=4 1790 B7R1.14 CC1(CCNC1)O M172930 [0,1,0,1,0,0|1,1,0]=4 1791 B7R1.14 CC1(COCN1)C D136350 [0,1,0,1,0,0|2,0,0]=4 1792 B7R1.14 CC1(NCCS1)C D123034 [0,1,0,1,0,0|1,0,0]=3 1793 B7R1.14 C[Si]1(CCCC1)C D189579 [0,1,0,1,0,0|1,1,0]=4 1794 B7R1.18 C1CC(C1)C(=O)Cl C170618 [0,1,0,1,0,0|0,1,1]=4 1795 B7R1.18 C1CC(C1)C(=O)O C120879 [0,1,0,1,0,0|0,1,1]=4 1796 B7R1.18 CC(=O)C1CCC1 A151658 [0,1,0,1,0,0|0,1,1]=4 1797 B7R1.20 C1CC1CC(=O)O C134997 [0,1,0,1,0,0|0,1,1]=4 1798 B7R1.23 C1C(C1(F)F)CO D122937 [0,1,0,1,0,0|1,1,0]=4 1799 B7R1.24 C1CCC=CCC1 C153473 [0,1,0,1,0,0|1,0,0]=3 1800 B7R1.24 C1CCCCCC1 C110929 [0,1,0,1,0,0|1,0,0]=3 1801 B7R1.24 C1CCCNCC1 H157403 [0,1,0,1,0,0|1,0,0]=3 1802 B7R1.24 C1CCCOCC1 H157291 [0,1,0,1,0,0|0,1,0]=3 1803 B7R1.24 C1CNCCNC1 H106298 [0,1,0,1,0,0|1,0,0]=3 1804 B7R1.24 C1CNCCOC1 O587706 [0,1,0,1,0,0|0,1,0]=3 1805 B7R2.13 C1C2C(O2)CO1 E103092 [0,0,0,2,0,0|1,1,0]=4 1806 B7R2.13 C1C2C(O2)CO1 E616368 [0,0,0,2,0,0|1,1,0]=4 1807 B7R2.13 C1C2C1CNC2 A177313 [0,0,0,2,0,0|1,0,0]=3 1808 B7R2.13 C1CC2C(C1)O2 C103079 [0,0,0,2,0,0|0,1,0]=3