0 B7R0.6 CC(=C)CCC(=C)C D155280 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.6 CC(=C)COC(=O)C M158238 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.6 CC(=CC=C(C)C)C D103154 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.6 CC(=NNC(=O)N)C A112969 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 CC(=O)CCC(=O)C H106697 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.6 CC(=O)CCC(=O)C H106698 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.6 CC(=O)CCC(=O)C H106699 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.6 CC(=O)CCC(=O)O L104281 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.6 CC(=O)CCC(=O)O L278641 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.6 CC(=O)CCC(=O)O L298748 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.6 CC(=O)CCC(=O)O L421026 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.6 CC(=O)COC(=O)C A151657 [0,0,0,0,0,0|1,0,1]=2 12 B7R0.6 CC(=O)NCC(=O)O A103973 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.6 CC(=O)OCC(=O)Cl A100732 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.6 CC(=O)OCC(=O)O A167143 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.6 CC(=O)OCC(F)F D154397 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.6 CC(=O)SCC(=O)O S131714 [0,0,0,0,0,0|2,1,1]=4 17 B7R0.6 CC(C)C=CC(=O)C M170732 [0,0,0,0,0,0|1,0,1]=2 18 B7R0.6 CC(C)C=CC(=O)O M158379 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.6 CC(C)CC=C(C)C D155272 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.6 CC(C)CCC(=C)C D155278 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.6 CC(C)CCC(=O)C M106666 [0,0,0,0,0,0|1,0,0]=1 22 B7R0.6 CC(C)CCC(=O)Cl M158759 [0,0,0,0,0,0|2,0,0]=2 23 B7R0.6 CC(C)CCC(=O)O M117869 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.6 CC(C)CCC(C)C D155219 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.6 CC(C)CCC(C)N W299301 [0,0,0,0,0,0|2,0,1]=3 26 B7R0.6 CC(C)CCC(C)O M157779 [0,0,0,0,0,0|1,0,2]=3 27 B7R0.6 CC(C)COC(=O)C I110418 [0,0,0,0,0,0|0,0,0]=0 28 B7R0.6 CC(C)COC(=O)C I110419 [0,0,0,0,0,0|0,0,0]=0 29 B7R0.6 CC(C)COC(=O)Cl I105738 [0,0,0,0,0,0|1,0,0]=1 30 B7R0.6 CC(C)CO[N+](=O)[O-] I334869 [0,0,0,0,0,0|2,0,0]=2 31 B7R0.6 CC(C)NNC(=O)C N193444 [0,0,0,0,0,0|2,0,0]=2 32 B7R0.6 CC(C)OCC(C)O I404594 [0,0,0,0,0,0|2,0,1]=3 33 B7R0.6 CC(C)SSC(C)C D154913 [0,0,0,0,0,0|2,1,1]=4 34 B7R0.6 CC(CCC(C)O)O H157400 [0,0,0,0,0,0|2,0,2]=4 35 B7R0.6 CC(CCC(C)O)O R160953 [0,0,0,0,0,0|2,0,2]=4 36 B7R0.6 CC(CCC(C)O)O S133391 [0,0,0,0,0,0|2,0,2]=4 37 B7R0.6 CN(C)CCC(=O)O D132248 [0,0,0,0,0,0|3,0,0]=3 38 B7R0.6 CN(C)CCN(C)C D124689 [0,0,0,0,0,0|4,0,0]=4 39 B7R0.6 CN(C)CCN(C)C D154832 [0,0,0,0,0,0|4,0,0]=4 40 B7R0.6 CN(C)CCN(C)C D155707 [0,0,0,0,0,0|4,0,0]=4 41 B7R0.6 CN(C)CCN(C)C N274275 [0,0,0,0,0,0|4,0,0]=4 42 B7R0.6 CN(C)CCN(C)C T105496 [0,0,0,0,0,0|4,0,0]=4 43 B7R0.6 CN(C)CCN(C)C T105497 [0,0,0,0,0,0|4,0,0]=4 44 B7R0.6 CN(C)CCN(C)C T105498 [0,0,0,0,0,0|4,0,0]=4 45 B7R0.6 CN(C)CCN(C)C T140800 [0,0,0,0,0,0|4,0,0]=4 46 B7R0.6 CP(C)CCP(C)C B115375 [0,0,0,0,0,0|4,0,0]=4 47 B7R0.6 C[S+](C)CCC(=O)O C153876 [0,0,0,0,0,0|3,0,0]=3 48 B6R0.4 C#CCOC(=O)Cl P468141 [1,0,0,0,0,0|1,0,2]=4 49 B6R0.4 C(CC(=O)Cl)CBr B102197 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.4 C(CC(=O)Cl)CCl C109449 [1,0,0,0,0,0|3,0,0]=4 51 B6R0.4 C(CC(=O)N)CCl C168978 [1,0,0,0,0,0|3,0,0]=4 52 B6R0.4 C(CC(=O)O)CBr B106907 [1,0,0,0,0,0|3,0,0]=4 53 B6R0.4 C(CC(=O)O)CCl C134513 [1,0,0,0,0,0|3,0,0]=4 54 B6R0.4 C(CC(=O)O)CN A104200 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.4 C(CC(=O)O)CN A293557 [1,0,0,0,0,0|3,0,0]=4 56 B6R0.4 C(CC(=O)O)CN A424756 [1,0,0,0,0,0|3,0,0]=4 57 B6R0.4 C(CC(=O)O)CN A468499 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.4 C(CC(=O)O)CN A472038 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.4 C(CC(=O)O)CN G276591 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.4 C(CCl)NC(=O)N C153501 [1,0,0,0,0,0|3,0,0]=4 61 B6R0.4 C(CCl)OC(=O)Cl C136442 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.4 C(CO)NC(=O)N H136122 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.4 C=CCOC(=O)N A467193 [1,0,0,0,0,0|1,0,2]=4 64 B6R0.4 CC(=CCCBr)C B470663 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.4 CC(=O)C=COC M113467 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.4 CC(=O)C=COC M434875 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.4 CC(=O)CCC=C H113634 [1,0,0,0,0,0|1,0,2]=4 68 B6R0.4 CC(=O)CCCBr B345087 [1,0,0,0,0,0|2,0,0]=3 69 B6R0.4 CC(=O)CCCCl C108070 [1,0,0,0,0,0|2,0,0]=3 70 B6R0.4 CC(=O)CCSC M135087 [1,0,0,0,0,0|2,0,0]=3 71 B6R0.4 CC(=O)NCC#N I170553 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.4 CC(=O)NCCN A117219 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.4 CC(=O)NCCO A112970 [1,0,0,0,0,0|2,0,0]=3 74 B6R0.4 CC(=O)NCCO A112971 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.4 CC(=O)NCCS N347842 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.4 CC(=O)OCC#C P304196 [1,0,0,0,0,0|0,0,2]=3 77 B6R0.4 CC(=O)OCC=C A107305 [1,0,0,0,0,0|0,0,2]=3 78 B6R0.4 CC(=O)OCCBr B102635 [1,0,0,0,0,0|1,0,0]=2 79 B6R0.4 CC(=O)OCCCl A140396 [1,0,0,0,0,0|1,0,0]=2 80 B6R0.4 CC(=O)OCCN A588049 [1,0,0,0,0,0|1,0,0]=2 81 B6R0.4 CC(=O)OCCO H156959 [1,0,0,0,0,0|1,0,0]=2 82 B6R0.4 CC(=O)SCCN T340735 [1,0,0,0,0,0|1,1,0]=3 83 B6R0.4 CC(C)CCC#N I157667 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.4 CC(C)CCC=O M586390 [1,0,0,0,0,0|1,0,0]=2 85 B6R0.4 CC(C)CCCBr B152440 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.4 CC(C)CCCO I136441 [1,0,0,0,0,0|1,0,2]=4 87 B6R0.4 CC(C)CN=C=S I140612 [1,0,0,0,0,0|1,1,1]=4 88 B6R0.4 CC(C)COC=C I109049 [1,0,0,0,0,0|0,0,1]=2 89 B6R0.4 CC(C)COC=C I109050 [1,0,0,0,0,0|0,0,1]=2 90 B6R0.4 CC(C)COC=O I141415 [1,0,0,0,0,0|0,0,0]=1 91 B6R0.4 CC(C)COC=O I432878 [1,0,0,0,0,0|0,0,0]=1 92 B6R0.4 CC(C)CON=O I157486 [1,0,0,0,0,0|1,0,0]=2 93 B6R0.4 CC(C)NCC=C N339371 [1,0,0,0,0,0|2,0,1]=4 94 B6R0.4 CC(C)OCCO I106814 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.4 CCC#CC(=O)O P137286 [1,0,0,0,0,0|2,0,1]=4 96 B6R0.4 CCC=CC(=O)O T162309 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.4 CCCCC(=N)N D305243 [1,0,0,0,0,0|3,0,0]=4 98 B6R0.4 CCCCC(=O)Br V162931 [1,0,0,0,0,0|2,0,0]=3 99 B6R0.4 CCCCC(=O)C H105743 [1,0,0,0,0,0|1,0,0]=2 100 B6R0.4 CCCCC(=O)C H105744 [1,0,0,0,0,0|1,0,0]=2 101 B6R0.4 CCCCC(=O)C H111491 [1,0,0,0,0,0|1,0,0]=2 102 B6R0.4 CCCCC(=O)C H141140 [1,0,0,0,0,0|1,0,0]=2 103 B6R0.4 CCCCC(=O)Cl V107241 [1,0,0,0,0,0|2,0,0]=3 104 B6R0.4 CCCCC(=O)N V162967 [1,0,0,0,0,0|2,0,0]=3 105 B6R0.4 CCCCC(=O)O V108269 [1,0,0,0,0,0|2,0,0]=3 106 B6R0.4 CCCCC(=O)O V108270 [1,0,0,0,0,0|2,0,0]=3 107 B6R0.4 CCCCC(=O)O V108271 [1,0,0,0,0,0|2,0,0]=3 108 B6R0.4 CCCCC(=O)O V108272 [1,0,0,0,0,0|2,0,0]=3 109 B6R0.4 CCCCC(=O)O V302252 [1,0,0,0,0,0|2,0,0]=3 110 B6R0.4 CCCCC(=O)[O-] S194180 [1,0,0,0,0,0|2,0,0]=3 111 B6R0.4 CCCCC(C)C M158516 [1,0,0,0,0,0|1,0,1]=3 112 B6R0.4 CCCCC(C)Cl C153661 [1,0,0,0,0,0|2,0,1]=4 113 B6R0.4 CCCCC(C)N B301374 [1,0,0,0,0,0|2,0,1]=4 114 B6R0.4 CCCCC(C)O H105565 [1,0,0,0,0,0|1,0,2]=4 115 B6R0.4 CCCCC(C)O I170762 [1,0,0,0,0,0|1,0,2]=4 116 B6R0.4 CCCCC(C)O R588494 [1,0,0,0,0,0|1,0,2]=4 117 B6R0.4 CCCCN(C)C D108036 [1,0,0,0,0,0|2,0,1]=4 118 B6R0.4 CCCC[N+](=O)[O-] N300420 [1,0,0,0,0,0|3,0,0]=4 119 B6R0.4 CCCC[Sn](=O)O M107696 [1,0,0,0,0,0|3,0,0]=4 120 B6R0.4 CCCNC(=O)N P589707 [1,0,0,0,0,0|2,0,0]=3 121 B6R0.4 CCCNC(=S)N P356262 [1,0,0,0,0,0|2,1,0]=4 122 B6R0.4 CCCOC(=O)C P103882 [1,0,0,0,0,0|0,0,0]=1 123 B6R0.4 CCCOC(=O)C P103883 [1,0,0,0,0,0|0,0,0]=1 124 B6R0.4 CCCOC(=O)N P194271 [1,0,0,0,0,0|1,0,0]=2 125 B6R0.4 CCCSC(=O)C S161333 [1,0,0,0,0,0|0,1,0]=2 126 B6R0.4 CCCSC(C)C I157608 [1,0,0,0,0,0|1,1,1]=4 127 B6R0.4 CCNCC(=O)O N159193 [1,0,0,0,0,0|3,0,0]=4 128 B6R0.4 CCOCC(=O)Cl E293992 [1,0,0,0,0,0|3,0,0]=4 129 B6R0.4 CCOCC(=O)O E156174 [1,0,0,0,0,0|3,0,0]=4 130 B6R0.4 CCOCC(C)O E110143 [1,0,0,0,0,0|1,0,1]=3 131 B6R0.4 CCSCC(=O)O E300419 [1,0,0,0,0,0|3,0,0]=4 132 B6R0.4 CN(C)C=CC=O D139445 [1,0,0,0,0,0|2,0,1]=4 133 B6R0.4 CNCCC(=O)O M183299 [1,0,0,0,0,0|3,0,0]=4 134 B6R0.4 CNCCN(C)C N159374 [1,0,0,0,0,0|3,0,0]=4 135 B6R0.4 CNCCN(C)C N192745 [1,0,0,0,0,0|3,0,0]=4 136 B6R0.4 COCCC(=O)O M169065 [1,0,0,0,0,0|3,0,0]=4 137 B6R0.4 CSCCC(=O)Cl M158416 [1,0,0,0,0,0|3,0,0]=4 138 B6R0.4 CSCCC(=O)O M158072 [1,0,0,0,0,0|3,0,0]=4 139 B8R0.9 CC(=O)CCC(=O)OC M157990 [0,1,0,0,0,0|2,0,1]=4 140 B8R0.9 CC(=O)CCC(=O)OC N196982 [0,1,0,0,0,0|2,0,1]=4 141 B8R0.9 CC(=O)NCC(=O)NC A342681 [0,1,0,0,0,0|2,0,1]=4 142 B8R0.9 CC(=O)OCC(=O)CCl A135505 [0,1,0,0,0,0|1,0,1]=3 143 B8R0.9 CC(=O)OCC(CO)O M158754 [0,1,0,0,0,0|1,0,0]=2 144 B8R0.9 CC(C)CCC(=O)OC M464241 [0,1,0,0,0,0|1,0,0]=2 145 B8R0.9 CC(C)COC(=O)C=C I111441 [0,1,0,0,0,0|0,0,1]=2 146 B8R0.9 CC(CO)OCC(C)O P103208 [0,1,0,0,0,0|1,0,2]=4 147 B8R0.9 CC(CO)OCC(C)O P103209 [0,1,0,0,0,0|1,0,2]=4 148 B8R0.9 CC(CO)OCC(C)O P103210 [0,1,0,0,0,0|1,0,2]=4 149 B8R0.9 CC(CO)OCC(C)O P103211 [0,1,0,0,0,0|1,0,2]=4 150 B8R0.9 CC(CO)OCC(C)O P103212 [0,1,0,0,0,0|1,0,2]=4 151 B8R0.9 CC(CO)OCC(C)O P639154 [0,1,0,0,0,0|1,0,2]=4 152 B8R0.9 CC(COC(=O)C=C)O H100855 [0,1,0,0,0,0|1,0,1]=3 153 B8R0.9 CCC(=O)OCC(C)C I157498 [0,1,0,0,0,0|0,0,0]=1 154 B8R0.9 CCC(C)CCC(=O)O M138303 [0,1,0,0,0,0|2,0,0]=3 155 B8R0.9 CCC(C)CCC(C)C D155227 [0,1,0,0,0,0|2,0,1]=4 156 B8R0.9 CCC(C)COC(=O)C M111920 [0,1,0,0,0,0|0,0,0]=1 157 B8R0.9 CN(C)CCC(=O)OC M170066 [0,1,0,0,0,0|2,0,0]=3 158 B8R0.9 CN(C)CCN(C)C=O N159309 [0,1,0,0,0,0|3,0,0]=4 159 B8R0.23 CC(=O)CC(=O)N(C)C N159276 [0,1,0,0,0,0|2,0,1]=4 160 B8R0.23 CC(C(=O)C)OC(=O)C A102527 [0,1,0,0,0,0|1,0,1]=3 161 B8R0.23 CC(C(=O)Cl)OC(=O)C A151625 [0,1,0,0,0,0|2,0,1]=4 162 B8R0.23 CC(C(=O)Cl)OC(=O)C R303922 [0,1,0,0,0,0|2,0,1]=4 163 B8R0.23 CC(C(=O)O)OC(=O)C A151194 [0,1,0,0,0,0|2,0,1]=4 164 B8R0.23 CC(C(=O)O)OC(=O)C R405630 [0,1,0,0,0,0|2,0,1]=4 165 B8R0.23 CC(C(=O)O)OC(=O)C S161041 [0,1,0,0,0,0|2,0,1]=4 166 B8R0.23 CC(C(CC(=O)O)N)O H352839 [0,1,0,0,0,0|3,0,0]=4 167 B8R0.23 CC(C)C(=O)OC(C)C I157500 [0,1,0,0,0,0|1,0,2]=4 168 B8R0.23 CC(C)C(CC(=O)O)N L102509 [0,1,0,0,0,0|2,0,0]=3 169 B8R0.23 CC(C)C(CC(=O)O)N L182849 [0,1,0,0,0,0|2,0,0]=3 170 B8R0.23 CC(C)C(CC(=O)O)N R194939 [0,1,0,0,0,0|2,0,0]=3 171 B8R0.23 CC(C)C(CC(=O)O)N S193261 [0,1,0,0,0,0|2,0,0]=3 172 B8R0.23 CC(C)CC(=O)C(=O)O M104530 [0,1,0,0,0,0|2,0,0]=3 173 B8R0.23 CC(C)CC(=O)C(=O)O M401024 [0,1,0,0,0,0|2,0,0]=3 174 B8R0.23 CC(C)CC(=O)C(=O)[O-] C107926 [0,1,0,0,0,0|2,0,0]=3 175 B8R0.23 CC(C)CC(=O)C(=O)[O-] M136620 [0,1,0,0,0,0|2,0,0]=3 176 B8R0.23 CC(C)CC(=O)C(C)C D154365 [0,1,0,0,0,0|2,0,1]=4 177 B8R0.23 CC(C)CC(C(=O)N)N H299483 [0,1,0,0,0,0|2,0,0]=3 178 B8R0.23 CC(C)CC(C(=O)N)N S161269 [0,1,0,0,0,0|2,0,0]=3 179 B8R0.23 CC(C)CC(C(=O)N)N S165636 [0,1,0,0,0,0|2,0,0]=3 180 B8R0.23 CC(C)CC(C(=O)O)Br B193385 [0,1,0,0,0,0|2,0,0]=3 181 B8R0.23 CC(C)CC(C(=O)O)Cl S161181 [0,1,0,0,0,0|2,0,0]=3 182 B8R0.23 CC(C)CC(C(=O)O)N L100046 [0,1,0,0,0,0|2,0,0]=3 183 B8R0.23 CC(C)CC(C(=O)O)N L104898 [0,1,0,0,0,0|2,0,0]=3 184 B8R0.23 CC(C)CC(C(=O)O)N L110997 [0,1,0,0,0,0|2,0,0]=3 185 B8R0.23 CC(C)CC(C(=O)O)N L117742 [0,1,0,0,0,0|2,0,0]=3 186 B8R0.23 CC(C)CC(C(=O)O)N L425126 [0,1,0,0,0,0|2,0,0]=3 187 B8R0.23 CC(C)CC(C(=O)O)N L433130 [0,1,0,0,0,0|2,0,0]=3 188 B8R0.23 CC(C)CC(C(=O)O)O L421425 [0,1,0,0,0,0|2,0,0]=3 189 B8R0.23 CC(C)CC(C(=O)O)O R182597 [0,1,0,0,0,0|2,0,0]=3 190 B8R0.23 CC(C)CC(C(=O)O)O S161033 [0,1,0,0,0,0|2,0,0]=3 191 B8R0.23 CC(C)CC(C(=O)O)O S161215 [0,1,0,0,0,0|2,0,0]=3 192 B8R0.23 CC(C)NC(=O)C(=C)C I132125 [0,1,0,0,0,0|3,0,0]=4 193 B8R0.23 CC(C)OC(=O)C(=C)C I157609 [0,1,0,0,0,0|3,0,0]=4 194 B8R0.29 C(C(Cl)(Cl)Cl)OC(=O)Cl T109476 [0,1,0,0,0,0|3,0,0]=4 195 B8R0.29 C(C(Cl)(Cl)Cl)OC(=O)Cl T109477 [0,1,0,0,0,0|3,0,0]=4 196 B8R0.29 CC(=O)C#C[Si](C)(C)C T115787 [0,1,0,0,0,0|1,1,1]=4 197 B8R0.29 CC(=O)OCC(F)(F)F T405032 [0,1,0,0,0,0|2,0,0]=3 198 B8R0.29 CC(=O)OC[Si](C)(C)C T162333 [0,1,0,0,0,0|0,1,0]=2 199 B8R0.29 CC(=O)ONC(C)(C)C O159950 [0,1,0,0,0,0|1,0,0]=2 200 B8R0.29 CC(C)(C)NCC(=O)O N194621 [0,1,0,0,0,0|3,0,0]=4 201 B8R0.29 CC(C)CCC(C)(C)C T161706 [0,1,0,0,0,0|2,0,1]=4 202 B8R0.29 CC(C)COS(=O)(=O)C I305089 [0,1,0,0,0,0|1,0,0]=2 203 B8R0.29 CC(CCC(=O)O)(F)F D586779 [0,1,0,0,0,0|3,0,0]=4 204 B8R0.29 C[Si](C)(C)CCC(=O)[O-] T303180 [0,1,0,0,0,0|2,1,0]=4 205 B8R0.29 [B-](COC(=O)C)(F)(F)F P404899 [0,1,0,0,0,0|3,0,0]=4 206 B8R1.3 C1C(=O)OCC(=O)O1 G156824 [0,0,0,1,0,0|2,0,1]=4 207 B8R1.3 C1CC(=O)CCC1=O C110959 [0,0,0,1,0,0|2,0,1]=4 208 B8R1.3 C1CC(=O)CCC1N A194532 [0,0,0,1,0,0|2,0,0]=3 209 B8R1.3 C1CC(=O)CCC1O H190648 [0,0,0,1,0,0|2,0,0]=3 210 B8R1.3 C1CC(=O)NCC1O H191838 [0,0,0,1,0,0|2,0,0]=3 211 B8R1.3 CC1=NNC(=O)CC1 D135167 [0,0,0,1,0,0|2,0,1]=4 212 B8R1.3 CC1CCC(=O)CC1 M106719 [0,0,0,1,0,0|1,0,0]=2 213 B8R1.3 CC1CCC(=O)CC1 M113653 [0,0,0,1,0,0|1,0,0]=2 214 B8R1.3 CC1CCC(CC1)Br B301345 [0,0,0,1,0,0|2,0,1]=4 215 B8R1.3 CC1CCC(CC1)C C153597 [0,0,0,1,0,0|2,0,1]=4 216 B8R1.3 CC1CCC(CC1)C D155234 [0,0,0,1,0,0|2,0,1]=4 217 B8R1.3 CC1CCC(CC1)C T161837 [0,0,0,1,0,0|2,0,1]=4 218 B8R1.3 CC1CCC(CC1)N C348902 [0,0,0,1,0,0|2,0,1]=4 219 B8R1.3 CC1CCC(CC1)N C404679 [0,0,0,1,0,0|2,0,1]=4 220 B8R1.3 CC1CCC(CC1)N I132581 [0,0,0,1,0,0|2,0,1]=4 221 B8R1.3 CC1CCC(CC1)N M158849 [0,0,0,1,0,0|2,0,1]=4 222 B8R1.3 CC1CCC(CC1)N M158850 [0,0,0,1,0,0|2,0,1]=4 223 B8R1.3 CC1CCC(CC1)O C153285 [0,0,0,1,0,0|1,0,2]=4 224 B8R1.3 CC1CCC(CC1)O M157776 [0,0,0,1,0,0|1,0,2]=4 225 B8R1.3 CC1CCC(CC1)O T162592 [0,0,0,1,0,0|1,0,2]=4 226 B8R1.3 CN1CCC(=O)CC1 N138232 [0,0,0,1,0,0|2,0,0]=3 227 B8R1.23 CN1CC(C1)C(=O)O M177850 [0,0,0,1,0,0|3,0,0]=4 228 B8R1.35 C1CC1C#CC(=O)O C467393 [0,0,0,1,0,0|2,0,1]=4 229 B8R1.35 C1CC1C=CC(=O)O C176819 [0,0,0,1,0,0|2,0,1]=4 230 B8R1.35 CC(C)OCC1CO1 G156843 [0,0,0,1,0,0|2,0,1]=4 231 B8R1.51 CC1(CC(=O)C=C1)C D168778 [0,0,0,1,0,0|1,0,1]=3 232 B8R1.51 CC1(CC(=O)NC1)C D194493 [0,0,0,1,0,0|1,0,0]=2 233 B8R1.51 CC1(CCC(=O)C1)C D175598 [0,0,0,1,0,0|1,0,0]=2 234 B8R1.51 CC1(CCC(=O)N1)C D193696 [0,0,0,1,0,0|2,0,0]=3 235 B8R1.51 CC1(CNC(=S)N1)C D154888 [0,0,0,1,0,0|2,1,0]=4 236 B8R1.51 CC1(COC(=O)N1)C D135412 [0,0,0,1,0,0|1,0,0]=2 237 B8R1.51 CC1=NC(CO1)(C)C T141476 [0,0,0,1,0,0|1,0,0]=2 238 B8R1.51 CC1CCS(=O)(=O)C1 M158451 [0,0,0,1,0,0|3,0,0]=4 239 B8R1.51 CC1COC(O1)(C)C T161554 [0,0,0,1,0,0|2,0,1]=4 240 B8R1.51 CC1COS(=O)(=O)O1 M158558 [0,0,0,1,0,0|3,0,0]=4 241 B8R1.77 CC1(CC1C(=O)N)C D102248 [0,0,0,1,0,0|2,0,0]=3 242 B8R1.77 CC1(CC1C(=O)O)C D194933 [0,0,0,1,0,0|2,0,0]=3 243 B8R1.77 CC1(CC1C(=O)O)C S161036 [0,0,0,1,0,0|2,0,0]=3 244 B6R0.2 B(CC(C)C)(O)O M120307 [0,0,0,0,1,0|2,0,1]=4 245 B6R0.2 B(CC(C)C)(O)O M299536 [0,0,0,0,1,0|2,0,1]=4 246 B6R0.2 CC(=C)OC(=O)C I108612 [0,0,0,0,1,0|0,0,2]=3 247 B6R0.2 CC(=CC(=O)C)C M105926 [0,0,0,0,1,0|0,0,2]=3 248 B6R0.2 CC(=CC(=O)C)C M105927 [0,0,0,0,1,0|0,0,2]=3 249 B6R0.2 CC(=CC(=O)C)C M105928 [0,0,0,0,1,0|0,0,2]=3 250 B6R0.2 CC(=CC(=O)C)N F156686 [0,0,0,0,1,0|1,0,2]=4 251 B6R0.2 CC(=CC(=O)C)O A118525 [0,0,0,0,1,0|1,0,2]=4 252 B6R0.2 CC(=CC(=O)C)O A118538 [0,0,0,0,1,0|1,0,2]=4 253 B6R0.2 CC(=CC(=O)C)O A579873 [0,0,0,0,1,0|1,0,2]=4 254 B6R0.2 CC(=CC(=O)C)O B152272 [0,0,0,0,1,0|1,0,2]=4 255 B6R0.2 CC(=CC(=O)C)O C109323 [0,0,0,0,1,0|1,0,2]=4 256 B6R0.2 CC(=CC(=O)C)O C140817 [0,0,0,0,1,0|1,0,2]=4 257 B6R0.2 CC(=CC(=O)C)O C283471 [0,0,0,0,1,0|1,0,2]=4 258 B6R0.2 CC(=CC(=O)C)O C486854 [0,0,0,0,1,0|1,0,2]=4 259 B6R0.2 CC(=CC(=O)C)O D302912 [0,0,0,0,1,0|1,0,2]=4 260 B6R0.2 CC(=CC(=O)C)O E302901 [0,0,0,0,1,0|1,0,2]=4 261 B6R0.2 CC(=CC(=O)C)O E347622 [0,0,0,0,1,0|1,0,2]=4 262 B6R0.2 CC(=CC(=O)C)O G304265 [0,0,0,0,1,0|1,0,2]=4 263 B6R0.2 CC(=CC(=O)C)O H107857 [0,0,0,0,1,0|1,0,2]=4 264 B6R0.2 CC(=CC(=O)C)O I138305 [0,0,0,0,1,0|1,0,2]=4 265 B6R0.2 CC(=CC(=O)C)O I294571 [0,0,0,0,1,0|1,0,2]=4 266 B6R0.2 CC(=CC(=O)C)O M106182 [0,0,0,0,1,0|1,0,2]=4 267 B6R0.2 CC(=CC(=O)C)O P101065 [0,0,0,0,1,0|1,0,2]=4 268 B6R0.2 CC(=CC(=O)C)O P119025 [0,0,0,0,1,0|1,0,2]=4 269 B6R0.2 CC(=CC(=O)C)O P119026 [0,0,0,0,1,0|1,0,2]=4 270 B6R0.2 CC(=CC(=O)C)O P293928 [0,0,0,0,1,0|1,0,2]=4 271 B6R0.2 CC(=CC(=O)C)O R118502 [0,0,0,0,1,0|1,0,2]=4 272 B6R0.2 CC(=CC(=O)C)O R118539 [0,0,0,0,1,0|1,0,2]=4 273 B6R0.2 CC(=CC(=O)C)O R118540 [0,0,0,0,1,0|1,0,2]=4 274 B6R0.2 CC(=CC(=O)C)O R294372 [0,0,0,0,1,0|1,0,2]=4 275 B6R0.2 CC(=CC(=O)C)O R639975 [0,0,0,0,1,0|1,0,2]=4 276 B6R0.2 CC(=CC(=O)C)O S298504 [0,0,0,0,1,0|1,0,2]=4 277 B6R0.2 CC(=CC(=O)C)O T283063 [0,0,0,0,1,0|1,0,2]=4 278 B6R0.2 CC(=CC(=O)C)O T302818 [0,0,0,0,1,0|1,0,2]=4 279 B6R0.2 CC(=CC(=O)C)O T302908 [0,0,0,0,1,0|1,0,2]=4 280 B6R0.2 CC(=CC(=O)C)O V109324 [0,0,0,0,1,0|1,0,2]=4 281 B6R0.2 CC(=CC(=O)C)O V109325 [0,0,0,0,1,0|1,0,2]=4 282 B6R0.2 CC(=CC(=O)C)O Y191992 [0,0,0,0,1,0|1,0,2]=4 283 B6R0.2 CC(=CC(=O)C)O Y283039 [0,0,0,0,1,0|1,0,2]=4 284 B6R0.2 CC(=CC(=O)C)[O-] B107855 [0,0,0,0,1,0|1,0,2]=4 285 B6R0.2 CC(=CC(=O)C)[O-] B109340 [0,0,0,0,1,0|1,0,2]=4 286 B6R0.2 CC(=CC(=O)C)[O-] B152965 [0,0,0,0,1,0|1,0,2]=4 287 B6R0.2 CC(=CC(=O)C)[O-] B283467 [0,0,0,0,1,0|1,0,2]=4 288 B6R0.2 CC(=CC(=O)C)[O-] C100527 [0,0,0,0,1,0|1,0,2]=4 289 B6R0.2 CC(=CC(=O)C)[O-] C432320 [0,0,0,0,1,0|1,0,2]=4 290 B6R0.2 CC(=CC(=O)C)[O-] H302906 [0,0,0,0,1,0|1,0,2]=4 291 B6R0.2 CC(=CC(=O)C)[O-] I106157 [0,0,0,0,1,0|1,0,2]=4 292 B6R0.2 CC(=CC(=O)C)[O-] L102502 [0,0,0,0,1,0|1,0,2]=4 293 B6R0.2 CC(=CC(=O)C)[O-] M107860 [0,0,0,0,1,0|1,0,2]=4 294 B6R0.2 CC(=CC(=O)C)[O-] N105676 [0,0,0,0,1,0|1,0,2]=4 295 B6R0.2 CC(=CC(=O)C)[O-] N107859 [0,0,0,0,1,0|1,0,2]=4 296 B6R0.2 CC(=CC(=O)C)[O-] N359157 [0,0,0,0,1,0|1,0,2]=4 297 B6R0.2 CC(=CC(=O)C)[O-] S488282 [0,0,0,0,1,0|1,0,2]=4 298 B6R0.2 CC(=CC(=O)C)[O-] T161967 [0,0,0,0,1,0|1,0,2]=4 299 B6R0.2 CC(=CC(=O)C)[O-] Z106186 [0,0,0,0,1,0|1,0,2]=4 300 B6R0.2 CC(=CC(=O)C)[O-] Z107220 [0,0,0,0,1,0|1,0,2]=4 301 B6R0.2 CC(=CC(=O)C)[O-] Z431381 [0,0,0,0,1,0|1,0,2]=4 302 B6R0.2 CC(=CC(=O)C)[O-] Z573179 [0,0,0,0,1,0|1,0,2]=4 303 B6R0.2 CC(=CC(=O)Cl)C D135082 [0,0,0,0,1,0|1,0,2]=4 304 B6R0.2 CC(=CC(=O)O)C D102028 [0,0,0,0,1,0|1,0,2]=4 305 B6R0.2 CC(=O)CC(=O)C A110366 [0,0,0,0,1,0|1,0,1]=3 306 B6R0.2 CC(=O)CC(=O)C A110367 [0,0,0,0,1,0|1,0,1]=3 307 B6R0.2 CC(=O)CC(=O)C A110370 [0,0,0,0,1,0|1,0,1]=3 308 B6R0.2 CC(=O)CC(=O)N A194123 [0,0,0,0,1,0|2,0,1]=4 309 B6R0.2 CC(=O)CC(=O)[O-] L102932 [0,0,0,0,1,0|2,0,1]=4 310 B6R0.2 CC(=O)CC(=O)[O-] L490061 [0,0,0,0,1,0|2,0,1]=4 311 B6R0.2 CC(=O)CN(C)C D167514 [0,0,0,0,1,0|1,0,0]=2 312 B6R0.2 CC(=O)OC(=O)C A302240 [0,0,0,0,1,0|1,0,1]=3 313 B6R0.2 CC(=O)OC(=O)C A474130 [0,0,0,0,1,0|1,0,1]=3 314 B6R0.2 CC(=O)SC(=O)C A151355 [0,0,0,0,1,0|1,1,1]=4 315 B6R0.2 CC(=O)[CH-]C(=O)C T190897 [0,0,0,0,1,0|1,0,2]=4 316 B6R0.2 CC(=O)[CH-]C(=O)C Z302876 [0,0,0,0,1,0|1,0,2]=4 317 B6R0.2 CC(=[OH+])CC(=[OH+])C L492409 [0,0,0,0,1,0|1,0,2]=4 318 B6R0.2 CC(C)C=C(C)C D155423 [0,0,0,0,1,0|1,0,1]=3 319 B6R0.2 CC(C)CC(=O)C M108736 [0,0,0,0,1,0|0,0,0]=1 320 B6R0.2 CC(C)CC(=O)C M108737 [0,0,0,0,1,0|0,0,0]=1 321 B6R0.2 CC(C)CC(=O)C M108738 [0,0,0,0,1,0|0,0,0]=1 322 B6R0.2 CC(C)CC(=O)C M108740 [0,0,0,0,1,0|0,0,0]=1 323 B6R0.2 CC(C)CC(=O)C M108741 [0,0,0,0,1,0|0,0,0]=1 324 B6R0.2 CC(C)CC(=O)C M492092 [0,0,0,0,1,0|0,0,0]=1 325 B6R0.2 CC(C)CC(=O)Cl I157679 [0,0,0,0,1,0|1,0,0]=2 326 B6R0.2 CC(C)CC(=O)O I108280 [0,0,0,0,1,0|1,0,0]=2 327 B6R0.2 CC(C)CC(=O)O I108281 [0,0,0,0,1,0|1,0,0]=2 328 B6R0.2 CC(C)CC(=O)O I424338 [0,0,0,0,1,0|1,0,0]=2 329 B6R0.2 CC(C)CC(=O)O I432771 [0,0,0,0,1,0|1,0,0]=2 330 B6R0.2 CC(C)CC(C)C D155236 [0,0,0,0,1,0|1,0,1]=3 331 B6R0.2 CC(C)CC(C)N D154510 [0,0,0,0,1,0|1,0,1]=3 332 B6R0.2 CC(C)CC(C)O M104491 [0,0,0,0,1,0|0,0,2]=3 333 B6R0.2 CC(C)NC(=O)C N586389 [0,0,0,0,1,0|1,0,0]=2 334 B6R0.2 CC(C)NC(C)C D108297 [0,0,0,0,1,0|2,0,1]=4 335 B6R0.2 CC(C)NC(C)C D108298 [0,0,0,0,1,0|2,0,1]=4 336 B6R0.2 CC(C)NC(C)C D108299 [0,0,0,0,1,0|2,0,1]=4 337 B6R0.2 CC(C)NC(C)C D108300 [0,0,0,0,1,0|2,0,1]=4 338 B6R0.2 CC(C)NC(C)C D108301 [0,0,0,0,1,0|2,0,1]=4 339 B6R0.2 CC(C)NC(C)C D135665 [0,0,0,0,1,0|2,0,1]=4 340 B6R0.2 CC(C)NC(C)C D154669 [0,0,0,0,1,0|2,0,1]=4 341 B6R0.2 CC(C)NC(C)C D399268 [0,0,0,0,1,0|2,0,1]=4 342 B6R0.2 CC(C)NC(C)C D404340 [0,0,0,0,1,0|2,0,1]=4 343 B6R0.2 CC(C)NC(C)C D494183 [0,0,0,0,1,0|2,0,1]=4 344 B6R0.2 CC(C)OC(=O)C I103453 [0,0,0,0,1,0|0,0,0]=1 345 B6R0.2 CC(C)OC(=O)C I103454 [0,0,0,0,1,0|0,0,0]=1 346 B6R0.2 CC(C)OC(=O)C I103455 [0,0,0,0,1,0|0,0,0]=1 347 B6R0.2 CC(C)OC(=O)N I157610 [0,0,0,0,1,0|1,0,0]=2 348 B6R0.2 CC(C)OC(=S)[S-] P160342 [0,0,0,0,1,0|1,1,0]=3 349 B6R0.2 CC(C)OC(C)C I110454 [0,0,0,0,1,0|1,0,1]=3 350 B6R0.2 CC(C)OC(C)C I110455 [0,0,0,0,1,0|1,0,1]=3 351 B6R0.2 CC(C)OC(C)C I110457 [0,0,0,0,1,0|1,0,1]=3 352 B6R0.2 CC(C)OC(C)C I110458 [0,0,0,0,1,0|1,0,1]=3 353 B6R0.2 CC(C)OC(C)C I119694 [0,0,0,0,1,0|1,0,1]=3 354 B6R0.2 CC(C)O[N+](=O)[O-] I342774 [0,0,0,0,1,0|2,0,0]=3 355 B6R0.2 CC(C)SC(C)C I157604 [0,0,0,0,1,0|1,1,1]=4 356 B6R0.2 CC(CC(=O)O)Br B169132 [0,0,0,0,1,0|2,0,0]=3 357 B6R0.2 CC(CC(=O)O)Cl C153466 [0,0,0,0,1,0|2,0,0]=3 358 B6R0.2 CC(CC(=O)O)N A100948 [0,0,0,0,1,0|2,0,0]=3 359 B6R0.2 CC(CC(=O)O)N H117041 [0,0,0,0,1,0|2,0,0]=3 360 B6R0.2 CC(CC(=O)O)N R184127 [0,0,0,0,1,0|2,0,0]=3 361 B6R0.2 CC(CC(=O)O)N S193074 [0,0,0,0,1,0|2,0,0]=3 362 B6R0.2 CC(CC(=O)O)O P347707 [0,0,0,0,1,0|2,0,0]=3 363 B6R0.2 CC(CC(=O)O)O R304188 [0,0,0,0,1,0|2,0,0]=3 364 B6R0.2 CC(CC(=O)O)O R425172 [0,0,0,0,1,0|2,0,0]=3 365 B6R0.2 CC(CC(=O)O)O S161108 [0,0,0,0,1,0|2,0,0]=3 366 B6R0.2 CC(CC(=O)O)O S194215 [0,0,0,0,1,0|2,0,0]=3 367 B6R0.2 CC(CC(=O)[O-])O B301134 [0,0,0,0,1,0|2,0,0]=3 368 B6R0.2 CC(CC(=O)[O-])O H121822 [0,0,0,0,1,0|2,0,0]=3 369 B6R0.2 CC(CC(=O)[O-])O X131756 [0,0,0,0,1,0|2,0,0]=3 370 B6R0.2 CC(CC(C)Br)Br D155303 [0,0,0,0,1,0|2,0,1]=4 371 B6R0.2 CC(CC(C)O)O R160958 [0,0,0,0,1,0|1,0,2]=4 372 B6R0.2 CC(CC(C)O)O S161001 [0,0,0,0,1,0|1,0,2]=4 373 B6R0.2 CC(CN(C)C)Cl C153815 [0,0,0,0,1,0|2,0,1]=4 374 B6R0.2 CC(CN(C)C)O B282542 [0,0,0,0,1,0|1,0,2]=4 375 B6R0.2 CC(CN(C)C)O D155704 [0,0,0,0,1,0|1,0,2]=4 376 B6R0.2 CC(OC(=O)C)Br B303662 [0,0,0,0,1,0|1,0,0]=2 377 B6R0.2 CC(OC(=O)Cl)Cl C100655 [0,0,0,0,1,0|2,0,0]=3 378 B6R0.2 CN(C)CC(=O)O D115675 [0,0,0,0,1,0|2,0,0]=3 379 B6R0.2 CN(C)CC(=O)O N159831 [0,0,0,0,1,0|2,0,0]=3 380 B6R0.2 CN(C)CC(=O)O N420632 [0,0,0,0,1,0|2,0,0]=3 381 B6R0.2 CN(C)CN(C)C N159372 [0,0,0,0,1,0|3,0,0]=4 382 B6R0.2 C[Si](C)O[Si](C)C T110097 [0,0,0,0,1,0|1,2,0]=4 383 B8R0.28 CC(=CC=CC(=O)C)C M132660 [0,0,0,0,0,1|1,0,2]=4 384 B8R0.28 CC(=CCCC(=O)C)C M117483 [0,0,0,0,0,1|1,0,1]=3 385 B8R0.28 CC(=CCOC(=O)C)C P138080 [0,0,0,0,0,1|0,0,1]=2 386 B8R0.28 CC(=O)O[Ca]OC(C)=O C339676 [0,0,0,0,0,1|2,0,1]=4 387 B8R0.28 CC(=O)O[Pb]OC(=O)C L100792 [0,0,0,0,0,1|2,0,1]=4 388 B8R0.28 CC(=O)O[Pb]OC(=O)C L100794 [0,0,0,0,0,1|2,0,1]=4 389 B8R0.28 CC(=O)O[Pb]OC(=O)C L193681 [0,0,0,0,0,1|2,0,1]=4 390 B8R0.28 CC(C)CCCC(=C)C D155274 [0,0,0,0,0,1|2,0,0]=3 391 B8R0.28 CC(C)CCCC(=O)C M158865 [0,0,0,0,0,1|1,0,0]=2 392 B8R0.28 CC(C)CCCC(=O)O M158389 [0,0,0,0,0,1|2,0,0]=3 393 B8R0.28 CC(C)CCCC(C)N D299499 [0,0,0,0,0,1|2,0,1]=4 394 B8R0.28 CC(C)CCCC(C)N D424637 [0,0,0,0,0,1|2,0,1]=4 395 B8R0.28 CC(C)CCCC(C)O M157902 [0,0,0,0,0,1|1,0,2]=4 396 B8R0.28 CC(C)CCOC(=O)C I112107 [0,0,0,0,0,1|0,0,0]=1 397 B8R0.28 CC(C)CCOC(=O)C I112108 [0,0,0,0,0,1|0,0,0]=1 398 B8R0.28 CC(C)CCOC(=O)C I112110 [0,0,0,0,0,1|0,0,0]=1 399 B8R0.28 CC(C)CCOC(=O)C T119705 [0,0,0,0,0,1|0,0,0]=1 400 B8R0.28 CC(C)CCO[N+](=O)[O-] I157464 [0,0,0,0,0,1|2,0,0]=3 401 B8R0.28 CC(C)CNCC(C)C D108052 [0,0,0,0,0,1|2,0,1]=4 402 B8R0.28 CC(C)CNCC(C)C D154696 [0,0,0,0,0,1|2,0,1]=4 403 B8R0.28 CC(C)COCC(C)C D155508 [0,0,0,0,0,1|1,0,1]=3 404 B8R0.28 CN(C)CC=CC(=O)O E177613 [0,0,0,0,0,1|3,0,0]=4 405 B8R0.28 CN(C)CCCC(=O)O D589906 [0,0,0,0,0,1|3,0,0]=4 406 B8R0.28 CN(C)CCCC(=O)O W133561 [0,0,0,0,0,1|3,0,0]=4 407 B5R0.1 C(CBr)C(=O)Cl B135557 [2,0,0,0,0,0|2,0,0]=4 408 B5R0.1 C(CBr)C(=O)N B152335 [2,0,0,0,0,0|2,0,0]=4 409 B5R0.1 C(CBr)C(=O)O B106081 [2,0,0,0,0,0|2,0,0]=4 410 B5R0.1 C(CCl)C(=O)Cl C109466 [2,0,0,0,0,0|2,0,0]=4 411 B5R0.1 C(CCl)C(=O)N C171099 [2,0,0,0,0,0|2,0,0]=4 412 B5R0.1 C(CCl)C(=O)O C106515 [2,0,0,0,0,0|2,0,0]=4 413 B5R0.1 C(CI)C(=O)O I157542 [2,0,0,0,0,0|2,0,0]=4 414 B5R0.1 C(CN)C(=O)N B135870 [2,0,0,0,0,0|2,0,0]=4 415 B5R0.1 C(CN)C(=O)O A105703 [2,0,0,0,0,0|2,0,0]=4 416 B5R0.1 C(CN)C(=O)O A137901 [2,0,0,0,0,0|2,0,0]=4 417 B5R0.1 C(CN)C(=O)O A494514 [2,0,0,0,0,0|2,0,0]=4 418 B5R0.1 C(CO)C(=O)O H136635 [2,0,0,0,0,0|2,0,0]=4 419 B5R0.1 C(CS)C(=O)O M103035 [2,0,0,0,0,0|2,0,0]=4 420 B5R0.1 C(CS)C(=O)O M103036 [2,0,0,0,0,0|2,0,0]=4 421 B5R0.1 C(CS)C(=O)O M590994 [2,0,0,0,0,0|2,0,0]=4 422 B5R0.1 C(OC(=O)Cl)Cl C153890 [2,0,0,0,0,0|2,0,0]=4 423 B5R0.1 CC#CC(C)C M157953 [2,0,0,0,0,0|0,0,2]=4 424 B5R0.1 CC(=C)CCO M158231 [2,0,0,0,0,0|2,0,0]=4 425 B5R0.1 CC(=CC=O)C M158692 [2,0,0,0,0,0|0,0,2]=4 426 B5R0.1 CC(=O)CCO H106330 [2,0,0,0,0,0|1,0,0]=3 427 B5R0.1 CC(=O)COC M158844 [2,0,0,0,0,0|1,0,0]=3 428 B5R0.1 CC(=O)NCO A151630 [2,0,0,0,0,0|2,0,0]=4 429 B5R0.1 CC(=O)OC=C P101483 [2,0,0,0,0,0|0,0,2]=4 430 B5R0.1 CC(=O)OC=C P101485 [2,0,0,0,0,0|0,0,2]=4 431 B5R0.1 CC(=O)OC=C P101486 [2,0,0,0,0,0|0,0,2]=4 432 B5R0.1 CC(=O)OC=C P301634 [2,0,0,0,0,0|0,0,2]=4 433 B5R0.1 CC(=O)OC=C P304876 [2,0,0,0,0,0|0,0,2]=4 434 B5R0.1 CC(=O)OC=C P304877 [2,0,0,0,0,0|0,0,2]=4 435 B5R0.1 CC(=O)OC=C P304879 [2,0,0,0,0,0|0,0,2]=4 436 B5R0.1 CC(=O)OC=C P304880 [2,0,0,0,0,0|0,0,2]=4 437 B5R0.1 CC(=O)OC=C P304881 [2,0,0,0,0,0|0,0,2]=4 438 B5R0.1 CC(=O)OC=C P432376 [2,0,0,0,0,0|0,0,2]=4 439 B5R0.1 CC(=O)OC=C P489072 [2,0,0,0,0,0|0,0,2]=4 440 B5R0.1 CC(=O)OC=C V104470 [2,0,0,0,0,0|0,0,2]=4 441 B5R0.1 CC(=O)OC=C V104471 [2,0,0,0,0,0|0,0,2]=4 442 B5R0.1 CC(=O)OC=C V104472 [2,0,0,0,0,0|0,0,2]=4 443 B5R0.1 CC(=O)OCBr B122544 [2,0,0,0,0,0|1,0,0]=3 444 B5R0.1 CC(=O)OCCl C194261 [2,0,0,0,0,0|1,0,0]=3 445 B5R0.1 CC(C)CC#C M157952 [2,0,0,0,0,0|0,0,2]=4 446 B5R0.1 CC(C)CC#N I137312 [2,0,0,0,0,0|1,0,1]=4 447 B5R0.1 CC(C)CC=C M158219 [2,0,0,0,0,0|0,0,1]=3 448 B5R0.1 CC(C)CC=O I103729 [2,0,0,0,0,0|0,0,0]=2 449 B5R0.1 CC(C)CC=O I103733 [2,0,0,0,0,0|0,0,0]=2 450 B5R0.1 CC(C)CCBr I109279 [2,0,0,0,0,0|1,0,1]=4 451 B5R0.1 CC(C)CCCl C105682 [2,0,0,0,0,0|1,0,1]=4 452 B5R0.1 CC(C)CCI I100674 [2,0,0,0,0,0|1,0,1]=4 453 B5R0.1 CC(C)CCN I109581 [2,0,0,0,0,0|1,0,1]=4 454 B5R0.1 CC(C)CCN I404590 [2,0,0,0,0,0|1,0,1]=4 455 B5R0.1 CC(C)CCO M116196 [2,0,0,0,0,0|0,0,2]=4 456 B5R0.1 CC(C)CCO M116197 [2,0,0,0,0,0|0,0,2]=4 457 B5R0.1 CC(C)CCO M116198 [2,0,0,0,0,0|0,0,2]=4 458 B5R0.1 CC(C)CCO M116200 [2,0,0,0,0,0|0,0,2]=4 459 B5R0.1 CC(C)CCO M116201 [2,0,0,0,0,0|0,0,2]=4 460 B5R0.1 CC(C)CCO M119838 [2,0,0,0,0,0|0,0,2]=4 461 B5R0.1 CC(C)CCS M101609 [2,0,0,0,0,0|0,1,1]=4 462 B5R0.1 CC(C)CNN I588327 [2,0,0,0,0,0|2,0,0]=4 463 B5R0.1 CC(C)C[Zn]Br I465880 [2,0,0,0,0,0|2,0,0]=4 464 B5R0.1 CC(C)OC=O I112304 [2,0,0,0,0,0|0,0,0]=2 465 B5R0.1 CC(C)OCCl C189120 [2,0,0,0,0,0|1,0,1]=4 466 B5R0.1 CC(CC=C)O P160534 [2,0,0,0,0,0|1,0,1]=4 467 B5R0.1 CC(CC=C)O R467366 [2,0,0,0,0,0|1,0,1]=4 468 B5R0.1 CC(CC=C)O S467331 [2,0,0,0,0,0|1,0,1]=4 469 B5R0.1 CC(CNC)O M587581 [2,0,0,0,0,0|2,0,0]=4 470 B5R0.1 CC(COC)N M169973 [2,0,0,0,0,0|1,0,0]=3 471 B5R0.1 CC(COC)N S475332 [2,0,0,0,0,0|1,0,0]=3 472 B5R0.1 CC(COC)N S586466 [2,0,0,0,0,0|1,0,0]=3 473 B5R0.1 CC(COC)O M105264 [2,0,0,0,0,0|1,0,0]=3 474 B5R0.1 CC(COC)O M105265 [2,0,0,0,0,0|1,0,0]=3 475 B5R0.1 CC(COC)O M105266 [2,0,0,0,0,0|1,0,0]=3 476 B5R0.1 CC(COC)O M299436 [2,0,0,0,0,0|1,0,0]=3 477 B5R0.1 CC(COC)O R160841 [2,0,0,0,0,0|1,0,0]=3 478 B5R0.1 CC(COC)O S161357 [2,0,0,0,0,0|1,0,0]=3 479 B5R0.1 CC=CC(=O)C P139100 [2,0,0,0,0,0|0,0,2]=4 480 B5R0.1 CC=CC(C)C M158236 [2,0,0,0,0,0|0,0,1]=3 481 B5R0.1 CC=CC(C)C T162379 [2,0,0,0,0,0|0,0,1]=3 482 B5R0.1 CCC=C(C)C M158233 [2,0,0,0,0,0|1,0,1]=4 483 B5R0.1 CCCC(=C)C M158211 [2,0,0,0,0,0|1,0,0]=3 484 B5R0.1 CCCC(=O)C P103780 [2,0,0,0,0,0|0,0,0]=2 485 B5R0.1 CCCC(=O)C P103781 [2,0,0,0,0,0|0,0,0]=2 486 B5R0.1 CCCC(=O)C P103782 [2,0,0,0,0,0|0,0,0]=2 487 B5R0.1 CCCC(=O)C P103783 [2,0,0,0,0,0|0,0,0]=2 488 B5R0.1 CCCC(=O)Cl B108666 [2,0,0,0,0,0|1,0,0]=3 489 B5R0.1 CCCC(=O)N B152329 [2,0,0,0,0,0|1,0,0]=3 490 B5R0.1 CCCC(=O)O B110438 [2,0,0,0,0,0|1,0,0]=3 491 B5R0.1 CCCC(=O)O B110439 [2,0,0,0,0,0|1,0,0]=3 492 B5R0.1 CCCC(=O)O B110440 [2,0,0,0,0,0|1,0,0]=3 493 B5R0.1 CCCC(=O)O B110442 [2,0,0,0,0,0|1,0,0]=3 494 B5R0.1 CCCC(=O)O B274612 [2,0,0,0,0,0|1,0,0]=3 495 B5R0.1 CCCC(=O)O B431361 [2,0,0,0,0,0|1,0,0]=3 496 B5R0.1 CCCC(=O)[O-] S102954 [2,0,0,0,0,0|1,0,0]=3 497 B5R0.1 CCCC(=O)[O-] S102956 [2,0,0,0,0,0|1,0,0]=3 498 B5R0.1 CCCC(=O)[O-] S346178 [2,0,0,0,0,0|1,0,0]=3 499 B5R0.1 CCCC(=O)[O-] S421873 [2,0,0,0,0,0|1,0,0]=3 500 B5R0.1 CCCC(C)Br B400517 [2,0,0,0,0,0|1,0,1]=4 501 B5R0.1 CCCC(C)C I157548 [2,0,0,0,0,0|0,0,1]=3 502 B5R0.1 CCCC(C)C M105775 [2,0,0,0,0,0|0,0,1]=3 503 B5R0.1 CCCC(C)C M105776 [2,0,0,0,0,0|0,0,1]=3 504 B5R0.1 CCCC(C)C M105777 [2,0,0,0,0,0|0,0,1]=3 505 B5R0.1 CCCC(C)C M105778 [2,0,0,0,0,0|0,0,1]=3 506 B5R0.1 CCCC(C)C M137744 [2,0,0,0,0,0|0,0,1]=3 507 B5R0.1 CCCC(C)Cl C467357 [2,0,0,0,0,0|1,0,1]=4 508 B5R0.1 CCCC(C)N A151353 [2,0,0,0,0,0|1,0,1]=4 509 B5R0.1 CCCC(C)O P103442 [2,0,0,0,0,0|0,0,2]=4 510 B5R0.1 CCCC(C)O P103443 [2,0,0,0,0,0|0,0,2]=4 511 B5R0.1 CCCC(C)O R138651 [2,0,0,0,0,0|0,0,2]=4 512 B5R0.1 CCCC(C)O S138580 [2,0,0,0,0,0|0,0,2]=4 513 B5R0.1 CCCN(C)C N404354 [2,0,0,0,0,0|1,0,1]=4 514 B5R0.1 CCC[N+](=O)[O-] N109053 [2,0,0,0,0,0|2,0,0]=4 515 B5R0.1 CCNC(=O)C I135660 [2,0,0,0,0,0|1,0,0]=3 516 B5R0.1 CCNC(=O)N E105944 [2,0,0,0,0,0|2,0,0]=4 517 B5R0.1 CCNC(C)C N159098 [2,0,0,0,0,0|1,0,1]=4 518 B5R0.1 CCOC(=N)C E132730 [2,0,0,0,0,0|1,0,0]=3 519 B5R0.1 CCOC(=N)N O183619 [2,0,0,0,0,0|2,0,0]=4 520 B5R0.1 CCOC(=O)C E116131 [2,0,0,0,0,0|0,0,0]=2 521 B5R0.1 CCOC(=O)C E116132 [2,0,0,0,0,0|0,0,0]=2 522 B5R0.1 CCOC(=O)C E116133 [2,0,0,0,0,0|0,0,0]=2 523 B5R0.1 CCOC(=O)C E116134 [2,0,0,0,0,0|0,0,0]=2 524 B5R0.1 CCOC(=O)C E116135 [2,0,0,0,0,0|0,0,0]=2 525 B5R0.1 CCOC(=O)C E116136 [2,0,0,0,0,0|0,0,0]=2 526 B5R0.1 CCOC(=O)C E116137 [2,0,0,0,0,0|0,0,0]=2 527 B5R0.1 CCOC(=O)C E116138 [2,0,0,0,0,0|0,0,0]=2 528 B5R0.1 CCOC(=O)C E116139 [2,0,0,0,0,0|0,0,0]=2 529 B5R0.1 CCOC(=O)C E116141 [2,0,0,0,0,0|0,0,0]=2 530 B5R0.1 CCOC(=O)C E116142 [2,0,0,0,0,0|0,0,0]=2 531 B5R0.1 CCOC(=O)C E119698 [2,0,0,0,0,0|0,0,0]=2 532 B5R0.1 CCOC(=O)C E141165 [2,0,0,0,0,0|0,0,0]=2 533 B5R0.1 CCOC(=O)C E302266 [2,0,0,0,0,0|0,0,0]=2 534 B5R0.1 CCOC(=O)C E432070 [2,0,0,0,0,0|0,0,0]=2 535 B5R0.1 CCOC(=O)N C266075 [2,0,0,0,0,0|1,0,0]=3 536 B5R0.1 CCOC(=O)N E424443 [2,0,0,0,0,0|1,0,0]=3 537 B5R0.1 CCOC(=O)N U108629 [2,0,0,0,0,0|1,0,0]=3 538 B5R0.1 CCOC(=O)N U299635 [2,0,0,0,0,0|1,0,0]=3 539 B5R0.1 CCOC(=S)[S-] P110999 [2,0,0,0,0,0|1,1,0]=4 540 B5R0.1 CCOC(=S)[S-] P111000 [2,0,0,0,0,0|1,1,0]=4 541 B5R0.1 CCOC(=S)[S-] S161075 [2,0,0,0,0,0|1,1,0]=4 542 B5R0.1 CCOC(=S)[S-] S298709 [2,0,0,0,0,0|1,1,0]=4 543 B5R0.1 CCO[Si](=O)O E302202 [2,0,0,0,0,0|1,1,0]=4 544 B5R0.1 CCO[Si](C)C D191031 [2,0,0,0,0,0|0,1,1]=4 545 B5R0.1 CCSC(=O)C E107950 [2,0,0,0,0,0|0,1,0]=3 546 B5R0.1 CCSC(=S)C E338928 [2,0,0,0,0,0|0,2,0]=4 547 B5R0.1 CN(C)CC=C D117859 [2,0,0,0,0,0|1,0,1]=4 548 B5R0.1 CN(C)CC=O D587172 [2,0,0,0,0,0|1,0,0]=3 549 B5R0.1 CNCC(=O)N S115899 [2,0,0,0,0,0|2,0,0]=4 550 B5R0.1 CNCC(=O)O S102891 [2,0,0,0,0,0|2,0,0]=4 551 B5R0.1 CNCC(=O)O S113893 [2,0,0,0,0,0|2,0,0]=4 552 B5R0.1 CNCC(=O)O S420541 [2,0,0,0,0,0|2,0,0]=4 553 B5R0.1 CNCC(=O)[O-] S189142 [2,0,0,0,0,0|2,0,0]=4 554 B5R0.1 COCC(=O)Cl M124203 [2,0,0,0,0,0|2,0,0]=4 555 B5R0.1 COCC(=O)O M158057 [2,0,0,0,0,0|2,0,0]=4 556 B5R0.1 CSCC(=O)N M158330 [2,0,0,0,0,0|2,0,0]=4 557 B5R0.1 CSCC(=O)O M168970 [2,0,0,0,0,0|2,0,0]=4 558 B5R0.1 CSCS(=O)C M158415 [2,0,0,0,0,0|2,0,0]=4 559 B5R0.2 C(C#N)OC=O C153899 [2,0,0,0,0,0|1,0,1]=4 560 B5R0.2 C=COCCO E135293 [2,0,0,0,0,0|1,0,1]=4 561 B5R0.2 CCC=CC=O T161487 [2,0,0,0,0,0|1,0,1]=4 562 B5R0.2 CCCC#CC H157356 [2,0,0,0,0,0|1,0,1]=4 563 B5R0.2 CCCC=CC C153486 [2,0,0,0,0,0|1,0,0]=3 564 B5R0.2 CCCC=CC H157262 [2,0,0,0,0,0|1,0,0]=3 565 B5R0.2 CCCC=CC T162371 [2,0,0,0,0,0|1,0,0]=3 566 B5R0.2 CCCCC=C H109530 [2,0,0,0,0,0|1,0,1]=4 567 B5R0.2 CCCCC=C H109531 [2,0,0,0,0,0|1,0,1]=4 568 B5R0.2 CCCCC=C H109532 [2,0,0,0,0,0|1,0,1]=4 569 B5R0.2 CCCCC=C H109533 [2,0,0,0,0,0|1,0,1]=4 570 B5R0.2 CCCCC=O V103717 [2,0,0,0,0,0|1,0,0]=3 571 B5R0.2 CCCCCC H100107 [2,0,0,0,0,0|1,0,1]=4 572 B5R0.2 CCCCCC H109653 [2,0,0,0,0,0|1,0,1]=4 573 B5R0.2 CCCCCC H109654 [2,0,0,0,0,0|1,0,1]=4 574 B5R0.2 CCCCCC H109656 [2,0,0,0,0,0|1,0,1]=4 575 B5R0.2 CCCCCC H109659 [2,0,0,0,0,0|1,0,1]=4 576 B5R0.2 CCCCCC H119662 [2,0,0,0,0,0|1,0,1]=4 577 B5R0.2 CCCCCC H121283 [2,0,0,0,0,0|1,0,1]=4 578 B5R0.2 CCCCCC H140380 [2,0,0,0,0,0|1,0,1]=4 579 B5R0.2 CCCCCC H298923 [2,0,0,0,0,0|1,0,1]=4 580 B5R0.2 CCCCCC N431441 [2,0,0,0,0,0|1,0,1]=4 581 B5R0.2 CCCCOC B152821 [2,0,0,0,0,0|2,0,0]=4 582 B5R0.2 CCCCSC B152508 [2,0,0,0,0,0|2,0,0]=4 583 B5R0.2 CCCNCC N159096 [2,0,0,0,0,0|1,0,1]=4 584 B5R0.2 CCCOC=C P137362 [2,0,0,0,0,0|0,0,1]=3 585 B5R0.2 CCCOC=O P160055 [2,0,0,0,0,0|0,0,0]=2 586 B5R0.2 CCCOCC E156162 [2,0,0,0,0,0|0,0,1]=3 587 B5R0.2 CCCSCC E134963 [2,0,0,0,0,0|0,1,1]=4 588 B5R0.2 CCCSSC M103114 [2,0,0,0,0,0|1,1,0]=4 589 B5R0.2 CCOC=CC E122346 [2,0,0,0,0,0|2,0,0]=4 590 B5R0.2 CCOCCBr B152837 [2,0,0,0,0,0|1,0,1]=4 591 B5R0.2 CCOCCCl C153264 [2,0,0,0,0,0|1,0,1]=4 592 B5R0.2 CCOCCN E156296 [2,0,0,0,0,0|1,0,1]=4 593 B5R0.2 CCOCCO E110821 [2,0,0,0,0,0|1,0,1]=4 594 B5R0.2 CCOCCO E110822 [2,0,0,0,0,0|1,0,1]=4 595 B5R0.2 CCOCCO E118463 [2,0,0,0,0,0|1,0,1]=4 596 B5R0.2 CSCCC=O M109548 [2,0,0,0,0,0|2,0,0]=4 597 B5R0.2 ClCCOC=C V141139 [2,0,0,0,0,0|1,0,1]=4 598 B7R0.2 CC(C)CC(=O)OC M157988 [1,1,0,0,0,0|2,0,0]=4 599 B7R0.2 CCC(=O)CC(=O)C H192611 [1,1,0,0,0,0|1,0,1]=4 600 B7R0.2 CCC(=O)CC(C)C E156458 [1,1,0,0,0,0|1,0,1]=4 601 B7R0.2 CCC(C)CC(=O)O M109883 [1,1,0,0,0,0|2,0,0]=4 602 B7R0.2 CCC(C)CC(C)C D155187 [1,1,0,0,0,0|1,0,1]=4 603 B7R0.2 CCC(C)OC(=O)C B108576 [1,1,0,0,0,0|0,0,0]=2 604 B7R0.2 CCC(C)OC(=O)C B108578 [1,1,0,0,0,0|0,0,0]=2 605 B7R0.2 CCC(C)OC(=O)Cl S189048 [1,1,0,0,0,0|1,0,0]=3 606 B7R0.2 CCC(CC(=O)O)N A191758 [1,1,0,0,0,0|2,0,0]=4 607 B7R0.2 CCC(CC(=O)O)N I167296 [1,1,0,0,0,0|2,0,0]=4 608 B7R0.3 C=CC(=O)OCCCl C477272 [1,1,0,0,0,0|1,0,1]=4 609 B7R0.3 C=CC(=O)OCCO H104535 [1,1,0,0,0,0|1,0,1]=4 610 B7R0.3 C=CCOC(=O)CCl A113257 [1,1,0,0,0,0|0,0,2]=4 611 B7R0.3 CCC(=O)NCCO N158966 [1,1,0,0,0,0|2,0,0]=4 612 B7R0.3 CCCCC(=C)CC E156236 [1,1,0,0,0,0|2,0,0]=4 613 B7R0.3 CCCCC(=O)CC H103766 [1,1,0,0,0,0|1,0,0]=3 614 B7R0.3 CCCCC(=O)NN P135113 [1,1,0,0,0,0|2,0,0]=4 615 B7R0.3 CCCCC(=O)OC M108213 [1,1,0,0,0,0|1,0,0]=3 616 B7R0.3 CCCCC(=O)OC M108214 [1,1,0,0,0,0|1,0,0]=3 617 B7R0.3 CCCCC(C)CC M113650 [1,1,0,0,0,0|1,0,1]=4 618 B7R0.3 CCCNC(=O)C=C N404954 [1,1,0,0,0,0|1,0,1]=4 619 B7R0.3 CCCOC(=O)CC P111531 [1,1,0,0,0,0|0,0,0]=2 620 B7R0.3 CCCOC(=O)CC P111532 [1,1,0,0,0,0|0,0,0]=2 621 B7R0.3 CCOCC(CO)O E305267 [1,1,0,0,0,0|1,0,1]=4 622 B7R0.3 COC(=O)CCCBr M158832 [1,1,0,0,0,0|2,0,0]=4 623 B7R0.3 COC(=O)CCCBr M492178 [1,1,0,0,0,0|2,0,0]=4 624 B7R0.3 COC(=O)CCCCl C108118 [1,1,0,0,0,0|2,0,0]=4 625 B7R0.3 COC(=O)CCCI M167258 [1,1,0,0,0,0|2,0,0]=4 626 B7R0.3 COC(=O)CCCN M124081 [1,1,0,0,0,0|2,0,0]=4 627 B7R0.3 COC(=O)CCSC M302466 [1,1,0,0,0,0|2,0,0]=4 628 B7R0.3 COC(=O)OCC=C A136273 [1,1,0,0,0,0|0,0,2]=4 629 B7R0.3 COCCC(=O)OC M134953 [1,1,0,0,0,0|2,0,0]=4 630 B7R0.3 COCOC(=C)CCl C153297 [1,1,0,0,0,0|2,0,0]=4 631 B7R0.4 C(CCBr)CC(=O)Cl B138857 [1,1,0,0,0,0|2,0,0]=4 632 B7R0.4 C(CCBr)CC(=O)O B106966 [1,1,0,0,0,0|2,0,0]=4 633 B7R0.4 C(CCCl)CC(=O)Cl C102473 [1,1,0,0,0,0|2,0,0]=4 634 B7R0.4 C(CCCl)CC(=O)O C153468 [1,1,0,0,0,0|2,0,0]=4 635 B7R0.4 C(CCN)CC(=O)O A107493 [1,1,0,0,0,0|2,0,0]=4 636 B7R0.4 C(CCN)CC(=O)O A151151 [1,1,0,0,0,0|2,0,0]=4 637 B7R0.4 C(CCN)CC(=O)O A151349 [1,1,0,0,0,0|2,0,0]=4 638 B7R0.4 C(CCN)CC(=O)O A491891 [1,1,0,0,0,0|2,0,0]=4 639 B7R0.4 C(CCN)CC(=O)O A491894 [1,1,0,0,0,0|2,0,0]=4 640 B7R0.4 C(CCO)CC(=O)[O-] H184096 [1,1,0,0,0,0|2,0,0]=4 641 B7R0.4 C(CCl)OCC(=O)N C193030 [1,1,0,0,0,0|2,0,0]=4 642 B7R0.4 CC(=O)CCCC#N K157732 [1,1,0,0,0,0|1,0,1]=4 643 B7R0.4 CC(=O)CCCCCl C108058 [1,1,0,0,0,0|1,0,0]=3 644 B7R0.4 CC(=O)OCCCCl C135233 [1,1,0,0,0,0|0,0,0]=2 645 B7R0.4 CC(=O)OCCOC M106167 [1,1,0,0,0,0|0,0,0]=2 646 B7R0.4 CC(=O)SCCCBr B333089 [1,1,0,0,0,0|0,1,0]=3 647 B7R0.4 CC(C)CCOC=O I117534 [1,1,0,0,0,0|0,0,0]=2 648 B7R0.4 CC(C)CCOC=O I137773 [1,1,0,0,0,0|0,0,0]=2 649 B7R0.4 CC(C)CCON=O I106092 [1,1,0,0,0,0|1,0,0]=3 650 B7R0.4 CC(C)CCON=O I106093 [1,1,0,0,0,0|1,0,0]=3 651 B7R0.4 CC(C)COCCO E156429 [1,1,0,0,0,0|0,0,1]=3 652 B7R0.4 CC(C)CSCCO I157607 [1,1,0,0,0,0|0,1,1]=4 653 B7R0.4 CC(C)NCCOC N158963 [1,1,0,0,0,0|2,0,0]=4 654 B7R0.4 CC(C)OCCCN A133357 [1,1,0,0,0,0|1,0,1]=4 655 B7R0.4 CCCC=CC(=O)C H156932 [1,1,0,0,0,0|1,0,0]=3 656 B7R0.4 CCCC=CC(=O)O H107513 [1,1,0,0,0,0|2,0,0]=4 657 B7R0.4 CCCC=CC(=O)O H400070 [1,1,0,0,0,0|2,0,0]=4 658 B7R0.4 CCCCCC(=C)C M158504 [1,1,0,0,0,0|2,0,0]=4 659 B7R0.4 CCCCCC(=O)C H103803 [1,1,0,0,0,0|1,0,0]=3 660 B7R0.4 CCCCCC(=O)C H103827 [1,1,0,0,0,0|1,0,0]=3 661 B7R0.4 CCCCCC(=O)Cl H102419 [1,1,0,0,0,0|2,0,0]=4 662 B7R0.4 CCCCCC(=O)Cl H130076 [1,1,0,0,0,0|2,0,0]=4 663 B7R0.4 CCCCCC(=O)N H157108 [1,1,0,0,0,0|2,0,0]=4 664 B7R0.4 CCCCCC(=O)O H103630 [1,1,0,0,0,0|2,0,0]=4 665 B7R0.4 CCCCCC(=O)O H103631 [1,1,0,0,0,0|2,0,0]=4 666 B7R0.4 CCCCCC(=O)O H103632 [1,1,0,0,0,0|2,0,0]=4 667 B7R0.4 CCCCCC(=O)O H278778 [1,1,0,0,0,0|2,0,0]=4 668 B7R0.4 CCCCCC(=O)O H432079 [1,1,0,0,0,0|2,0,0]=4 669 B7R0.4 CCCCCC(=O)[O-] S161313 [1,1,0,0,0,0|2,0,0]=4 670 B7R0.4 CCCCCC(C)C M113649 [1,1,0,0,0,0|1,0,1]=4 671 B7R0.4 CCCCCC(C)C M406726 [1,1,0,0,0,0|1,0,1]=4 672 B7R0.4 CCCCNC(=O)N B152704 [1,1,0,0,0,0|2,0,0]=4 673 B7R0.4 CCCCOC(=O)C B116224 [1,1,0,0,0,0|0,0,0]=2 674 B7R0.4 CCCCOC(=O)C B116225 [1,1,0,0,0,0|0,0,0]=2 675 B7R0.4 CCCCOC(=O)C B116227 [1,1,0,0,0,0|0,0,0]=2 676 B7R0.4 CCCCOC(=O)C B116228 [1,1,0,0,0,0|0,0,0]=2 677 B7R0.4 CCCCOC(=O)C B119685 [1,1,0,0,0,0|0,0,0]=2 678 B7R0.4 CCCCOC(=O)N B152422 [1,1,0,0,0,0|1,0,0]=3 679 B7R0.4 CCCCOC(=S)[S-] P160349 [1,1,0,0,0,0|1,1,0]=4 680 B7R0.4 CCCCO[N+](=O)[O-] N334844 [1,1,0,0,0,0|2,0,0]=4 681 B7R0.4 CCCOCC(C)O P160113 [1,1,0,0,0,0|0,0,2]=4 682 B7R0.4 CCOCCC(=O)C E156453 [1,1,0,0,0,0|1,0,0]=3 683 B7R0.4 CCOCCC(=O)O E156172 [1,1,0,0,0,0|2,0,0]=4 684 B7R0.4 CNCCCC(=O)O M276212 [1,1,0,0,0,0|2,0,0]=4 685 B7R0.4 CNCCCC(=O)O M397624 [1,1,0,0,0,0|2,0,0]=4 686 B7R0.4 COCCCC(=O)O M192558 [1,1,0,0,0,0|2,0,0]=4 687 B7R0.4 COCCOC(=O)Cl M158778 [1,1,0,0,0,0|1,0,0]=3 688 B7R0.4 [CH]CCCCC(=O)[N] P111447 [1,1,0,0,0,0|2,0,0]=4 689 B7R0.4 [CH]CCCCC(=O)[N] P128923 [1,1,0,0,0,0|2,0,0]=4 690 B7R0.5 CC(=O)N(C)CCO N167555 [1,1,0,0,0,0|2,0,0]=4 691 B7R0.5 CCCC(=O)C(=O)C H106696 [1,1,0,0,0,0|1,0,0]=3 692 B7R0.5 CCCC(=O)C(=O)O O159954 [1,1,0,0,0,0|2,0,0]=4 693 B7R0.5 CCCC(C(=O)O)Br B152768 [1,1,0,0,0,0|2,0,0]=4 694 B7R0.5 CCCC(C(=O)O)N N100542 [1,1,0,0,0,0|2,0,0]=4 695 B7R0.5 CCCC(C(=O)O)N N106191 [1,1,0,0,0,0|2,0,0]=4 696 B7R0.5 CCCC(C(=O)O)N N106215 [1,1,0,0,0,0|2,0,0]=4 697 B7R0.5 CCCC(C(=O)O)O S193305 [1,1,0,0,0,0|2,0,0]=4 698 B7R0.5 CCCC(C(=O)[O-])O B301319 [1,1,0,0,0,0|2,0,0]=4 699 B7R0.5 CCCC(C)C(=O)C M158798 [1,1,0,0,0,0|1,0,0]=3 700 B7R0.5 CCCC(C)C(=O)O B300596 [1,1,0,0,0,0|2,0,0]=4 701 B7R0.5 CCCC(C)C(=O)O M117868 [1,1,0,0,0,0|2,0,0]=4 702 B7R0.5 CCCC(C)C(=O)O M427193 [1,1,0,0,0,0|2,0,0]=4 703 B7R0.5 CCCC(C)C(C)C D155209 [1,1,0,0,0,0|1,0,1]=4 704 B7R0.5 CCOC(=O)C(=O)C E113332 [1,1,0,0,0,0|2,0,0]=4 705 B7R0.5 CCOC(=O)C(C)C E156123 [1,1,0,0,0,0|0,0,2]=4 706 B7R0.8 C(C(F)(F)F)OC=O T134919 [1,1,0,0,0,0|2,0,0]=4 707 B7R0.8 CCCCC(C)(C)C D106282 [1,1,0,0,0,0|1,0,1]=4 708 B7R0.8 CCCCC(C)(C)O M157782 [1,1,0,0,0,0|1,0,1]=4 709 B7R0.8 CCCOS(=O)(=O)C P160510 [1,1,0,0,0,0|1,0,0]=3 710 B7R0.8 CCCO[Si](C)(C)C T357378 [1,1,0,0,0,0|1,1,0]=4 711 B7R0.8 CS(=O)(=O)OCCCl C138729 [1,1,0,0,0,0|2,0,0]=4 712 B7R0.9 CC(=C)CC(C)(C)C D106367 [0,1,0,0,1,0|1,0,0]=3 713 B7R0.9 CC(=C)CC(C)(C)C D106368 [0,1,0,0,1,0|1,0,0]=3 714 B7R0.9 CC(=C)C[Si](C)(C)C T300066 [0,1,0,0,1,0|1,1,0]=4 715 B7R0.9 CC(=C)O[Si](C)(C)C I157569 [0,1,0,0,1,0|1,1,0]=4 716 B7R0.9 CC(=CC(C)(C)C)C T161796 [0,1,0,0,1,0|1,0,1]=4 717 B7R0.9 CC(=O)CC(C)(C)C D171111 [0,1,0,0,1,0|0,0,0]=2 718 B7R0.9 CC(=O)CC(C)(C)N D466889 [0,1,0,0,1,0|0,0,0]=2 719 B7R0.9 CC(=O)CC(C)(C)O D103435 [0,1,0,0,1,0|0,0,0]=2 720 B7R0.9 CC(=O)CC(C)(C)O D103436 [0,1,0,0,1,0|0,0,0]=2 721 B7R0.9 CC(=O)CC(C)(C)O D103437 [0,1,0,0,1,0|0,0,0]=2 722 B7R0.9 CC(=O)CC(C)(C)O D409502 [0,1,0,0,1,0|0,0,0]=2 723 B7R0.9 CC(=O)CC(C)(C)S M102896 [0,1,0,0,1,0|0,0,0]=2 724 B7R0.9 CC(=O)CC(F)(F)F T478863 [0,1,0,0,1,0|2,0,0]=4 725 B7R0.9 CC(=O)CS(=O)(=O)C M349447 [0,1,0,0,1,0|2,0,0]=4 726 B7R0.9 CC(=O)N[Si](C)(C)C T113605 [0,1,0,0,1,0|1,1,0]=4 727 B7R0.9 CC(=O)OC(C)(C)C B110958 [0,1,0,0,1,0|0,0,0]=2 728 B7R0.9 CC(=O)O[Si](C)(C)C T114036 [0,1,0,0,1,0|0,1,0]=3 729 B7R0.9 CC(C)(C)CC(=O)Cl D115363 [0,1,0,0,1,0|1,0,0]=3 730 B7R0.9 CC(C)(C)CC(=O)O D128107 [0,1,0,0,1,0|1,0,0]=3 731 B7R0.9 CC(C)(C)OC(=O)N B107136 [0,1,0,0,1,0|1,0,0]=3 732 B7R0.9 CC(C)(CC(=O)O)O B152666 [0,1,0,0,1,0|1,0,0]=3 733 B7R0.9 CC(C)(CC(=O)[O-])O C154024 [0,1,0,0,1,0|1,0,0]=3 734 B7R0.9 CC(C)(CN(C)C)N A483225 [0,1,0,0,1,0|2,0,0]=4 735 B7R0.9 CC(C)CC(C)(C)C I103236 [0,1,0,0,1,0|1,0,1]=4 736 B7R0.9 CC(C)CC(C)(C)C I103237 [0,1,0,0,1,0|1,0,1]=4 737 B7R0.9 CC(C)CC(C)(C)C I103239 [0,1,0,0,1,0|1,0,1]=4 738 B7R0.9 CC(C)CC(C)(C)C I103242 [0,1,0,0,1,0|1,0,1]=4 739 B7R0.9 CC(C)CC(C)(C)C I103243 [0,1,0,0,1,0|1,0,1]=4 740 B7R0.9 CC(C)CC(C)(C)C I113065 [0,1,0,0,1,0|1,0,1]=4 741 B7R0.9 CC(C)CC(C)(C)C I302016 [0,1,0,0,1,0|1,0,1]=4 742 B7R0.9 CC(C)CC(C)(C)C I432868 [0,1,0,0,1,0|1,0,1]=4 743 B7R0.9 CC(C)CC(C)(C)C T119681 [0,1,0,0,1,0|1,0,1]=4 744 B7R0.9 CC(C)CC(C)(C)C T128777 [0,1,0,0,1,0|1,0,1]=4 745 B7R0.9 CC(C)CS(=O)(=O)Cl I169853 [0,1,0,0,1,0|2,0,0]=4 746 B7R0.9 CC(C)C[Si](C)(C)Cl C337179 [0,1,0,0,1,0|1,1,0]=4 747 B7R0.9 CC(C)C[Si](C)(Cl)Cl D351843 [0,1,0,0,1,0|1,1,0]=4 748 B7R0.9 CC(C)OS(=O)(=O)C I304987 [0,1,0,0,1,0|1,0,0]=3 749 B7R0.9 CC(C)O[Si](C)(C)C I337328 [0,1,0,0,1,0|1,1,0]=4 750 B7R0.9 CC(CC(C)(C)C)O D346243 [0,1,0,0,1,0|0,0,2]=4 751 B7R0.9 CC(CC(C)(C)O)O M108565 [0,1,0,0,1,0|0,0,2]=4 752 B7R0.9 CC(CC(C)(C)O)O M420527 [0,1,0,0,1,0|0,0,2]=4 753 B7R0.9 C[N+](C)(C)CC(=O)O B106221 [0,1,0,0,1,0|2,0,0]=4 754 B7R0.9 C[N+](C)(C)CC(=O)O B113358 [0,1,0,0,1,0|2,0,0]=4 755 B7R0.9 C[N+](C)(C)CC(=O)[O-] B105554 [0,1,0,0,1,0|2,0,0]=4 756 B7R0.9 C[N+](C)(C)CC(=O)[O-] B105555 [0,1,0,0,1,0|2,0,0]=4 757 B7R0.9 C[N+](C)(C)CC(=O)[O-] B105556 [0,1,0,0,1,0|2,0,0]=4 758 B7R0.9 C[N+](C)(C)CC(=O)[O-] B420528 [0,1,0,0,1,0|2,0,0]=4 759 B7R0.9 C[Si](C)(C)CC(=O)O T114555 [0,1,0,0,1,0|1,1,0]=4 760 B7R0.16 CC(=O)C(C(=O)C)Cl C153944 [0,1,0,0,1,0|1,0,1]=4 761 B7R0.16 CC(C(C(=O)N)N)O S303459 [0,1,0,0,1,0|2,0,0]=4 762 B7R0.16 CC(C(C(=O)O)N)O L425658 [0,1,0,0,1,0|2,0,0]=4 763 B7R0.16 CC(C(C(=O)O)N)O L471819 [0,1,0,0,1,0|2,0,0]=4 764 B7R0.16 CC(C(C(=O)O)N)O S138236 [0,1,0,0,1,0|2,0,0]=4 765 B7R0.16 CC(C(C(=O)O)N)O S161020 [0,1,0,0,1,0|2,0,0]=4 766 B7R0.16 CC(C(C(=O)O)N)O T100459 [0,1,0,0,1,0|2,0,0]=4 767 B7R0.16 CC(C(C(=O)O)N)O T100954 [0,1,0,0,1,0|2,0,0]=4 768 B7R0.16 CC(C(C(=O)O)N)O T108221 [0,1,0,0,1,0|2,0,0]=4 769 B7R0.16 CC(C(C(=O)O)N)O T108222 [0,1,0,0,1,0|2,0,0]=4 770 B7R0.16 CC(C(C(=O)O)N)O T114829 [0,1,0,0,1,0|2,0,0]=4 771 B7R0.16 CC(C)C(=O)C(=O)O M194936 [0,1,0,0,1,0|1,0,1]=4 772 B7R0.16 CC(C)C(=O)C(=O)O M425860 [0,1,0,0,1,0|1,0,1]=4 773 B7R0.16 CC(C)C(=O)C(=O)[O-] C405686 [0,1,0,0,1,0|1,0,1]=4 774 B7R0.16 CC(C)C(=O)C(=O)[O-] K474034 [0,1,0,0,1,0|1,0,1]=4 775 B7R0.16 CC(C)C(=O)C(=O)[O-] S169975 [0,1,0,0,1,0|1,0,1]=4 776 B7R0.16 CC(C)C(C(=O)N)N S132765 [0,1,0,0,1,0|1,0,0]=3 777 B7R0.16 CC(C)C(C(=O)N)N V117016 [0,1,0,0,1,0|1,0,0]=3 778 B7R0.16 CC(C)C(C(=O)O)Br B101869 [0,1,0,0,1,0|1,0,0]=3 779 B7R0.16 CC(C)C(C(=O)O)Br B102423 [0,1,0,0,1,0|1,0,0]=3 780 B7R0.16 CC(C)C(C(=O)O)N L358417 [0,1,0,0,1,0|1,0,0]=3 781 B7R0.16 CC(C)C(C(=O)O)N L425655 [0,1,0,0,1,0|1,0,0]=3 782 B7R0.16 CC(C)C(C(=O)O)N V101067 [0,1,0,0,1,0|1,0,0]=3 783 B7R0.16 CC(C)C(C(=O)O)N V103487 [0,1,0,0,1,0|1,0,0]=3 784 B7R0.16 CC(C)C(C(=O)O)N V104896 [0,1,0,0,1,0|1,0,0]=3 785 B7R0.16 CC(C)C(C(=O)O)N V139523 [0,1,0,0,1,0|1,0,0]=3 786 B7R0.16 CC(C)C(C(=O)O)O H137225 [0,1,0,0,1,0|1,0,0]=3 787 B7R0.16 CC(C)C(C(=O)O)O S167911 [0,1,0,0,1,0|1,0,0]=3 788 B7R0.16 CC(C)C(C(C)C)O D154153 [0,1,0,0,1,0|1,0,1]=4 789 B7R0.16 CC(C)C(C)C(C)C T161705 [0,1,0,0,1,0|1,0,1]=4 790 B9R0.1 CC(C)CCOC(=O)C=C I157701 [0,1,0,0,0,1|0,0,1]=3 791 B9R0.1 CC(CCOC(=O)C)OC M118697 [0,1,0,0,0,1|0,0,0]=2 792 B9R0.1 CCC(=O)OCCC(C)C I101112 [0,1,0,0,0,1|0,0,0]=2 793 B9R0.1 CCC(C)OCCC(=O)C S161386 [0,1,0,0,0,1|1,0,0]=3 794 B9R0.1 CN(C)CCOC(=O)C=C D102735 [0,1,0,0,0,1|1,0,1]=4 795 B9R0.7 CC(C)COC(=O)C(=C)C I106679 [0,1,0,0,0,1|1,0,0]=3 796 B9R0.7 CC(C)COC(=O)C(=C)C I304907 [0,1,0,0,0,1|1,0,0]=3 797 B9R0.7 CC(C)COC(=O)C(=C)C I401365 [0,1,0,0,0,1|1,0,0]=3 798 B9R0.7 CC(C)COC(=O)C(C)C I105925 [0,1,0,0,0,1|1,0,1]=4 799 B9R0.7 CC(C)COC(=O)C(C)O I469449 [0,1,0,0,0,1|0,0,2]=4 800 B9R0.7 CC(COC(=O)C(=C)C)O H109880 [0,1,0,0,0,1|2,0,0]=4 801 B9R0.53 CC(C)CC(C)CC(=O)C D301469 [0,1,0,0,0,1|1,0,0]=3 802 B9R0.53 CC(C)CC(CC(=O)O)N D404546 [0,1,0,0,0,1|2,0,0]=4 803 B9R0.53 CC(C)CC(CC(=O)O)N H117054 [0,1,0,0,0,1|2,0,0]=4 804 B9R0.53 CC(C)OC(=O)CC(=O)C I111058 [0,1,0,0,0,1|1,0,1]=4 805 B9R0.53 CC(OC(=O)C)OC(=O)C E156139 [0,1,0,0,0,1|1,0,1]=4 806 B9R0.56 CC(=O)OCC[N+](C)(C)C A106023 [0,1,0,0,0,1|1,0,0]=3 807 B9R0.56 CC(=O)OCC[N+](C)(C)C A111014 [0,1,0,0,0,1|1,0,0]=3 808 B9R0.56 CC(=O)OCC[N+](C)(C)C A111015 [0,1,0,0,0,1|1,0,0]=3 809 B9R0.56 CC(=O)OCC[N+](C)(C)C A111033 [0,1,0,0,0,1|1,0,0]=3 810 B9R0.56 CC(=O)OCC[N+](C)(C)C A425009 [0,1,0,0,0,1|1,0,0]=3 811 B9R0.56 CC(=O)SCC[N+](C)(C)C A100869 [0,1,0,0,0,1|1,1,0]=4 812 B9R0.56 CC(=O)SCC[N+](C)(C)C A113536 [0,1,0,0,0,1|1,1,0]=4 813 B9R0.21 COC(=O)OCC(F)(F)F C303005 [0,2,0,0,0,0|2,0,0]=4 814 B9R0.23 CC(C)CC(C(=O)OC)N L109004 [0,2,0,0,0,0|1,0,0]=3 815 B9R0.23 CC(C)CC(C(=O)OC)N L113357 [0,2,0,0,0,0|1,0,0]=3 816 B9R0.23 CCC(C)C(CC(=O)O)N H117051 [0,2,0,0,0,0|2,0,0]=4 817 B9R0.24 C=CC(=O)OCC(CBr)Br D154307 [0,2,0,0,0,0|1,0,1]=4 818 B9R0.24 CC(=NOC(=O)NC)SC T283856 [0,2,0,0,0,0|1,0,1]=4 819 B9R0.42 CC(C)C(=O)CC(=O)OC M106811 [0,2,0,0,0,0|1,0,1]=4 820 B9R0.43 CCC(CC)COC(=O)C E156156 [0,2,0,0,0,0|0,0,0]=2 821 B9R0.43 CCC(COC(=O)C)OC M158006 [0,2,0,0,0,0|0,0,0]=2 822 B9R0.48 CC(C)COC(=O)CC#N I157668 [0,2,0,0,0,0|0,0,0]=2 823 B9R0.48 CC=CC(=O)OCC(C)C I157503 [0,2,0,0,0,0|0,0,0]=2 824 B9R0.48 CCCC(=O)OCC(C)C I157497 [0,2,0,0,0,0|0,0,0]=2 825 B9R0.48 CCOC(=O)CCC(C)C E169064 [0,2,0,0,0,0|1,0,0]=3 826 B9R0.10 CC(=O)CC(=O)C(C)(C)C D139227 [0,2,0,0,0,0|1,0,1]=4 827 B9R0.10 CC(C)(C)C(CC(=O)O)N B301216 [0,2,0,0,0,0|2,0,0]=4 828 B9R0.11 CC(C)CC(C)(C(=O)O)N H352866 [0,2,0,0,0,0|2,0,0]=4 829 B9R0.39 CC(C)CC(C(=O)O)NC B300148 [0,2,0,0,0,0|2,0,0]=4 830 B9R0.39 CC(C)CC(C(=O)O)NC D303245 [0,2,0,0,0,0|2,0,0]=4 831 B9R0.39 CC(C)CC(C(=O)O)NC N137172 [0,2,0,0,0,0|2,0,0]=4 832 B9R0.39 CC(C)CC(C(=O)O)NC N185919 [0,2,0,0,0,0|2,0,0]=4 833 B9R0.57 CC(C)(C)CC(C(=O)O)N H187615 [0,2,0,0,0,0|2,0,0]=4 834 B9R0.57 CC(C)(C)CC(C(=O)O)N S136939 [0,2,0,0,0,0|2,0,0]=4 835 B9R0.79 CC(C)C(C(C(=O)O)N)O A114504 [0,2,0,0,0,0|2,0,0]=4 836 B7R1.2 C1C(=O)COC1=O T101326 [1,0,0,1,0,0|1,0,1]=4 837 B7R1.2 C1C(CNC1=O)N A587603 [1,0,0,1,0,0|2,0,0]=4 838 B7R1.2 C1C(CNC1=O)O H119311 [1,0,0,1,0,0|2,0,0]=4 839 B7R1.2 C1C(CNC1=O)O H119312 [1,0,0,1,0,0|2,0,0]=4 840 B7R1.2 C1C(CNC1=O)O H183207 [1,0,0,1,0,0|2,0,0]=4 841 B7R1.2 C1C(COC1=O)N R189910 [1,0,0,1,0,0|1,0,0]=3 842 B7R1.2 C1C(COC1=O)N S189909 [1,0,0,1,0,0|1,0,0]=3 843 B7R1.2 C1C(COC1=O)O H107941 [1,0,0,1,0,0|1,0,0]=3 844 B7R1.2 C1C(OC(=O)O1)Cl C154009 [1,0,0,1,0,0|2,0,0]=4 845 B7R1.2 C1C(OC(=O)O1)Cl C298772 [1,0,0,1,0,0|2,0,0]=4 846 B7R1.2 C1C(OC(=O)O1)F F120339 [1,0,0,1,0,0|2,0,0]=4 847 B7R1.2 CC1=CC(=O)OC1 M158202 [1,0,0,1,0,0|0,0,2]=4 848 B7R1.2 CC1CCC(=O)C1 M113659 [1,0,0,1,0,0|1,0,0]=3 849 B7R1.2 CC1CCC(=O)N1 M158429 [1,0,0,1,0,0|2,0,0]=4 850 B7R1.2 CC1CCC(=O)O1 V106294 [1,0,0,1,0,0|2,0,0]=4 851 B7R1.2 CC1COC(=O)O1 P105723 [1,0,0,1,0,0|1,0,0]=3 852 B7R1.2 CC1COC(=O)O1 P105724 [1,0,0,1,0,0|1,0,0]=3 853 B7R1.2 CC1COC(=O)O1 P105725 [1,0,0,1,0,0|1,0,0]=3 854 B7R1.2 CC1COC(=O)O1 P105726 [1,0,0,1,0,0|1,0,0]=3 855 B7R1.2 CC1COC(=O)O1 P122960 [1,0,0,1,0,0|1,0,0]=3 856 B7R1.2 CC1COC(=O)O1 S135940 [1,0,0,1,0,0|1,0,0]=3 857 B7R1.2 CC1COC(O1)C D404099 [1,0,0,1,0,0|0,0,2]=4 858 B7R1.2 CC1COS(=O)O1 M120340 [1,0,0,1,0,0|2,0,0]=4 859 B7R1.2 CN1CCC(=O)C1 M343187 [1,0,0,1,0,0|2,0,0]=4 860 B7R1.3 C1CC(=O)CNC1 P301951 [1,0,0,1,0,0|2,0,0]=4 861 B7R1.3 C1CC(=O)COC1 O175840 [1,0,0,1,0,0|2,0,0]=4 862 B7R1.3 C1CC(COC1)N S172896 [1,0,0,1,0,0|1,0,1]=4 863 B7R1.3 C1CC(COC1)O O175461 [1,0,0,1,0,0|1,0,1]=4 864 B7R1.3 C1CCC(=O)CC1 C116449 [1,0,0,1,0,0|1,0,0]=3 865 B7R1.3 C1CCC(=O)CC1 C116451 [1,0,0,1,0,0|1,0,0]=3 866 B7R1.3 C1CCC(=O)CC1 C116453 [1,0,0,1,0,0|1,0,0]=3 867 B7R1.3 C1CCC(=O)CC1 C116454 [1,0,0,1,0,0|1,0,0]=3 868 B7R1.3 C1CCC(=O)CC1 C295202 [1,0,0,1,0,0|1,0,0]=3 869 B7R1.3 C1CCC(=O)CC1 C471914 [1,0,0,1,0,0|1,0,0]=3 870 B7R1.3 C1CCC(=O)CC1 C615386 [1,0,0,1,0,0|1,0,0]=3 871 B7R1.3 C1CCNC(=O)C1 P160613 [1,0,0,1,0,0|1,0,0]=3 872 B7R1.3 C1CCOC(=O)C1 V100560 [1,0,0,1,0,0|0,0,0]=2 873 B7R1.3 C1CNC(=O)CN1 P135012 [1,0,0,1,0,0|2,0,0]=4 874 B7R1.3 C1CNC(=O)NC1 T162348 [1,0,0,1,0,0|2,0,0]=4 875 B7R1.3 C1CNC(=O)OC1 O170792 [1,0,0,1,0,0|1,0,0]=3 876 B7R1.3 C1COC(=O)C=C1 D155403 [1,0,0,1,0,0|0,0,2]=4 877 B7R1.3 C1COC(=O)CO1 D122246 [1,0,0,1,0,0|1,0,0]=3 878 B7R1.3 C1COC(=O)OC1 D155394 [1,0,0,1,0,0|1,0,0]=3 879 B7R1.3 C1COCC(=O)N1 M157861 [1,0,0,1,0,0|2,0,0]=4 880 B7R1.3 C1COCCC1=O T107483 [1,0,0,1,0,0|2,0,0]=4 881 B7R1.3 C1COS(=O)OC1 D137600 [1,0,0,1,0,0|2,0,0]=4 882 B7R1.3 C1CSCCC1=O T121984 [1,0,0,1,0,0|2,0,0]=4 883 B7R1.3 C=C1CCCCC1 M158229 [1,0,0,1,0,0|2,0,0]=4 884 B7R1.3 CC1=CCCCC1 M158209 [1,0,0,1,0,0|2,0,0]=4 885 B7R1.3 CC1CCCCC1 M103329 [1,0,0,1,0,0|1,0,1]=4 886 B7R1.3 CC1CCCCC1 M103330 [1,0,0,1,0,0|1,0,1]=4 887 B7R1.3 CC1CCCCC1 M103331 [1,0,0,1,0,0|1,0,1]=4 888 B7R1.3 CC1CCCCC1 M118385 [1,0,0,1,0,0|1,0,1]=4 889 B7R1.3 CC1CCCCC1 M119670 [1,0,0,1,0,0|1,0,1]=4 890 B7R1.3 CC1CCCNC1 M158771 [1,0,0,1,0,0|1,0,1]=4 891 B7R1.3 CC1CCCNC1 R588230 [1,0,0,1,0,0|1,0,1]=4 892 B7R1.3 CC1CCCNC1 S191141 [1,0,0,1,0,0|1,0,1]=4 893 B7R1.3 CC1CCNCC1 M158650 [1,0,0,1,0,0|2,0,0]=4 894 B7R1.3 CC1COCCN1 M193354 [1,0,0,1,0,0|1,0,1]=4 895 B7R1.3 CC1COCCN1 R160948 [1,0,0,1,0,0|1,0,1]=4 896 B7R1.3 CC1COCCN1 R177343 [1,0,0,1,0,0|1,0,1]=4 897 B7R1.3 CC1COCCN1 S176218 [1,0,0,1,0,0|1,0,1]=4 898 B7R1.3 CC1COCCN1 S189368 [1,0,0,1,0,0|1,0,1]=4 899 B7R1.3 C[Si]1CCCCO1 P107083 [1,0,0,1,0,0|1,1,0]=4 900 B7R1.7 CCOCC1CO1 E156388 [1,0,0,1,0,0|1,0,1]=4 901 B7R1.10 C1C(CC1=O)CO H175239 [1,0,0,1,0,0|2,0,0]=4 902 B7R1.12 CC1CC1C(=O)O M169350 [1,0,0,1,0,0|2,0,0]=4 903 B7R1.14 C1COS(=O)(=O)C1 P105652 [1,0,0,1,0,0|2,0,0]=4 904 B7R1.14 CC1(CCNC1)C D177478 [1,0,0,1,0,0|1,0,1]=4 905 B7R1.14 CC1(COC=N1)C D155260 [1,0,0,1,0,0|1,0,0]=3 906 B7R1.14 CC1(COCN1)C D136350 [1,0,0,1,0,0|1,0,1]=4 907 B7R1.18 C1CC(C1)C(=O)Cl C170618 [1,0,0,1,0,0|2,0,0]=4 908 B7R1.18 C1CC(C1)C(=O)O C120879 [1,0,0,1,0,0|2,0,0]=4 909 B7R1.18 CC(=O)C1CCC1 A151658 [1,0,0,1,0,0|1,0,0]=3 910 B7R1.20 C1CC1CC(=O)O C134997 [1,0,0,1,0,0|2,0,0]=4 911 B9R1.35 CC(=O)N1CCC(C1)O R160915 [0,0,0,1,0,1|2,0,0]=4 912 B9R1.35 CC(C)C1COC(=O)N1 I107588 [0,0,0,1,0,1|1,0,0]=3 913 B9R1.35 CC(C)C1COC(=O)N1 I107589 [0,0,0,1,0,1|1,0,0]=3 914 B9R1.49 CN1CCCC(=O)CC1 M587966 [0,0,0,1,0,1|2,0,0]=4 915 B9R1.66 CC1(CCCC(=O)C1)C D138628 [0,0,0,1,0,1|1,0,0]=3 916 B9R1.66 CC1(CCOC(=O)C1)O D304342 [0,0,0,1,0,1|1,0,0]=3 917 B9R1.1 CCC1CCC(=O)CC1 E115523 [0,1,0,1,0,0|1,0,0]=3 918 B9R1.1 CCN1CCC(=O)CC1 E156493 [0,1,0,1,0,0|2,0,0]=4 919 B9R1.1 COC1CCC(=O)CC1 M587028 [0,1,0,1,0,0|1,0,0]=3 920 B9R1.10 B1(OCC(CO1)(C)C)C T304318 [0,1,0,1,0,0|1,0,1]=4 921 B9R1.10 C1CC(CCC1=O)(F)F W135372 [0,1,0,1,0,0|2,0,0]=4 922 B9R1.10 CC1(CCC(=O)C=C1)C D154373 [0,1,0,1,0,0|1,0,1]=4 923 B9R1.10 CC1(CCC(=O)CC1)C D120758 [0,1,0,1,0,0|1,0,0]=3 924 B9R1.10 CC1(COS(=O)OC1)C D301920 [0,1,0,1,0,0|1,0,0]=3 925 B9R1.10 CC1(OCC(=O)CO1)C D155926 [0,1,0,1,0,0|2,0,0]=4 926 B9R1.69 CC1CCC(=O)CC1C D154364 [0,1,0,1,0,0|1,0,0]=3 927 B9R1.69 CC1CCC(C(=O)C1)C D154367 [0,1,0,1,0,0|1,0,1]=4 928 B9R1.69 CC1CN(CCC1=O)C D154313 [0,1,0,1,0,0|2,0,0]=4 929 B9R1.80 C=CC(=O)OCC1CO1 G156838 [0,1,0,1,0,0|1,0,1]=4 930 B9R1.82 COC(=O)C1CC(C1)O M176607 [0,1,0,1,0,0|2,0,0]=4 931 B9R1.82 COC(=O)C1CC(C1)O M176998 [0,1,0,1,0,0|2,0,0]=4 932 B9R1.82 COC(=O)C1CC(C1)O M176999 [0,1,0,1,0,0|2,0,0]=4 933 B9R1.138 CC1(COC(=O)C1=O)C D166887 [0,1,0,1,0,0|0,0,1]=3 934 B9R1.138 CC1(COC(=O)C1O)C P122332 [0,1,0,1,0,0|0,0,0]=2 935 B9R1.138 CC1(COC(=O)C1O)C S138963 [0,1,0,1,0,0|0,0,0]=2 936 B9R1.138 CC1(COC(=O)C1O)C S161101 [0,1,0,1,0,0|0,0,0]=2 937 B9R1.38 CC1(CC(=O)OC1=O)C D107597 [0,1,0,1,0,0|0,0,1]=3 938 B9R1.112 C1CC1CC(C(=O)O)N C117163 [0,1,0,1,0,0|2,0,0]=4 939 B9R1.112 C1CC1CC(C(=O)O)N C117208 [0,1,0,1,0,0|2,0,0]=4 940 B9R1.137 CC(=O)CC(=O)C1CC1 C168614 [0,1,0,1,0,0|1,0,1]=4 941 B9R2.143 C1CC12CC2C(=O)O S174950 [0,0,0,2,0,0|2,0,0]=4 942 B5R0.5 CC(=C(C)C)C D107648 [0,0,0,0,2,0|1,0,1]=4 943 B5R0.5 CC(=C)C(=O)C I107938 [0,0,0,0,2,0|0,0,2]=4 944 B5R0.5 CC(=O)C(=O)C B104601 [0,0,0,0,2,0|1,0,1]=4 945 B5R0.5 CC(=O)C(=O)C B104602 [0,0,0,0,2,0|1,0,1]=4 946 B5R0.5 CC(=O)C(=O)C B104603 [0,0,0,0,2,0|1,0,1]=4 947 B5R0.5 CC(=O)C(=O)C B432715 [0,0,0,0,2,0|1,0,1]=4 948 B5R0.5 CC(=O)N(C)C D108094 [0,0,0,0,2,0|1,0,0]=3 949 B5R0.5 CC(=O)N(C)C D108095 [0,0,0,0,2,0|1,0,0]=3 950 B5R0.5 CC(=O)N(C)C D108096 [0,0,0,0,2,0|1,0,0]=3 951 B5R0.5 CC(=O)N(C)C D108098 [0,0,0,0,2,0|1,0,0]=3 952 B5R0.5 CC(=O)N(C)C D108099 [0,0,0,0,2,0|1,0,0]=3 953 B5R0.5 CC(=O)N(C)C D108100 [0,0,0,0,2,0|1,0,0]=3 954 B5R0.5 CC(=O)N(C)C D119664 [0,0,0,0,2,0|1,0,0]=3 955 B5R0.5 CC(=O)N(C)C D121274 [0,0,0,0,2,0|1,0,0]=3 956 B5R0.5 CC(=S)N(C)C N140450 [0,0,0,0,2,0|1,1,0]=4 957 B5R0.5 CC(C(=O)Br)Br B106918 [0,0,0,0,2,0|2,0,0]=4 958 B5R0.5 CC(C(=O)C)Br B195163 [0,0,0,0,2,0|1,0,0]=3 959 B5R0.5 CC(C(=O)C)Cl C136316 [0,0,0,0,2,0|1,0,0]=3 960 B5R0.5 CC(C(=O)C)N A168580 [0,0,0,0,2,0|1,0,0]=3 961 B5R0.5 CC(C(=O)C)O A109410 [0,0,0,0,2,0|1,0,0]=3 962 B5R0.5 CC(C(=O)C)O A109411 [0,0,0,0,2,0|1,0,0]=3 963 B5R0.5 CC(C(=O)C)S M102955 [0,0,0,0,2,0|1,0,0]=3 964 B5R0.5 CC(C(=O)Cl)Br B119905 [0,0,0,0,2,0|2,0,0]=4 965 B5R0.5 CC(C(=O)Cl)Cl C102420 [0,0,0,0,2,0|2,0,0]=4 966 B5R0.5 CC(C(=O)Cl)Cl C401784 [0,0,0,0,2,0|2,0,0]=4 967 B5R0.5 CC(C(=O)N)Br B474352 [0,0,0,0,2,0|2,0,0]=4 968 B5R0.5 CC(C(=O)N)Cl C169221 [0,0,0,0,2,0|2,0,0]=4 969 B5R0.5 CC(C(=O)N)N A117207 [0,0,0,0,2,0|2,0,0]=4 970 B5R0.5 CC(C(=O)N)N H589984 [0,0,0,0,2,0|2,0,0]=4 971 B5R0.5 CC(C(=O)N)N R192946 [0,0,0,0,2,0|2,0,0]=4 972 B5R0.5 CC(C(=O)N)O R139052 [0,0,0,0,2,0|2,0,0]=4 973 B5R0.5 CC(C(=O)N)O S469819 [0,0,0,0,2,0|2,0,0]=4 974 B5R0.5 CC(C(=O)O)Br B106080 [0,0,0,0,2,0|2,0,0]=4 975 B5R0.5 CC(C(=O)O)Br B106920 [0,0,0,0,2,0|2,0,0]=4 976 B5R0.5 CC(C(=O)O)Br R160937 [0,0,0,0,2,0|2,0,0]=4 977 B5R0.5 CC(C(=O)O)Cl C106527 [0,0,0,0,2,0|2,0,0]=4 978 B5R0.5 CC(C(=O)O)Cl C109467 [0,0,0,0,2,0|2,0,0]=4 979 B5R0.5 CC(C(=O)O)Cl C140796 [0,0,0,0,2,0|2,0,0]=4 980 B5R0.5 CC(C(=O)O)Cl R160939 [0,0,0,0,2,0|2,0,0]=4 981 B5R0.5 CC(C(=O)O)F F469437 [0,0,0,0,2,0|2,0,0]=4 982 B5R0.5 CC(C(=O)O)N A100051 [0,0,0,0,2,0|2,0,0]=4 983 B5R0.5 CC(C(=O)O)N A108263 [0,0,0,0,2,0|2,0,0]=4 984 B5R0.5 CC(C(=O)O)N A109095 [0,0,0,0,2,0|2,0,0]=4 985 B5R0.5 CC(C(=O)O)N A117757 [0,0,0,0,2,0|2,0,0]=4 986 B5R0.5 CC(C(=O)O)N A117758 [0,0,0,0,2,0|2,0,0]=4 987 B5R0.5 CC(C(=O)O)N A118860 [0,0,0,0,2,0|2,0,0]=4 988 B5R0.5 CC(C(=O)O)N D423466 [0,0,0,0,2,0|2,0,0]=4 989 B5R0.5 CC(C(=O)O)N D472023 [0,0,0,0,2,0|2,0,0]=4 990 B5R0.5 CC(C(=O)O)N D474151 [0,0,0,0,2,0|2,0,0]=4 991 B5R0.5 CC(C(=O)O)N L424776 [0,0,0,0,2,0|2,0,0]=4 992 B5R0.5 CC(C(=O)O)N S432937 [0,0,0,0,2,0|2,0,0]=4 993 B5R0.5 CC(C(=O)O)O L107595 [0,0,0,0,2,0|2,0,0]=4 994 B5R0.5 CC(C(=O)O)O L107596 [0,0,0,0,2,0|2,0,0]=4 995 B5R0.5 CC(C(=O)O)O L108839 [0,0,0,0,2,0|2,0,0]=4 996 B5R0.5 CC(C(=O)O)O L108841 [0,0,0,0,2,0|2,0,0]=4 997 B5R0.5 CC(C(=O)O)O L122089 [0,0,0,0,2,0|2,0,0]=4 998 B5R0.5 CC(C(=O)O)O L122090 [0,0,0,0,2,0|2,0,0]=4 999 B5R0.5 CC(C(=O)O)O L291729 [0,0,0,0,2,0|2,0,0]=4 1000 B5R0.5 CC(C(=O)O)O L291730 [0,0,0,0,2,0|2,0,0]=4 1001 B5R0.5 CC(C(=O)O)O L291731 [0,0,0,0,2,0|2,0,0]=4 1002 B5R0.5 CC(C(=O)O)O L291732 [0,0,0,0,2,0|2,0,0]=4 1003 B5R0.5 CC(C(=O)O)O L425989 [0,0,0,0,2,0|2,0,0]=4 1004 B5R0.5 CC(C(=O)O)O P169115 [0,0,0,0,2,0|2,0,0]=4 1005 B5R0.5 CC(C(=O)O)O S161106 [0,0,0,0,2,0|2,0,0]=4 1006 B5R0.5 CC(C(=O)O)S T162374 [0,0,0,0,2,0|2,0,0]=4 1007 B5R0.5 CC(C(=O)[O-])O A303861 [0,0,0,0,2,0|2,0,0]=4 1008 B5R0.5 CC(C(=O)[O-])O C110506 [0,0,0,0,2,0|2,0,0]=4 1009 B5R0.5 CC(C(=O)[O-])O C304709 [0,0,0,0,2,0|2,0,0]=4 1010 B5R0.5 CC(C(=O)[O-])O D304649 [0,0,0,0,2,0|2,0,0]=4 1011 B5R0.5 CC(C(=O)[O-])O I350723 [0,0,0,0,2,0|2,0,0]=4 1012 B5R0.5 CC(C(=O)[O-])O L104219 [0,0,0,0,2,0|2,0,0]=4 1013 B5R0.5 CC(C(=O)[O-])O L133140 [0,0,0,0,2,0|2,0,0]=4 1014 B5R0.5 CC(C(=O)[O-])O M305218 [0,0,0,0,2,0|2,0,0]=4 1015 B5R0.5 CC(C(=O)[O-])O P113770 [0,0,0,0,2,0|2,0,0]=4 1016 B5R0.5 CC(C(=O)[O-])O P305067 [0,0,0,0,2,0|2,0,0]=4 1017 B5R0.5 CC(C(=O)[O-])O S108837 [0,0,0,0,2,0|2,0,0]=4 1018 B5R0.5 CC(C(=O)[O-])O S108838 [0,0,0,0,2,0|2,0,0]=4 1019 B5R0.5 CC(C(=O)[O-])O S301759 [0,0,0,0,2,0|2,0,0]=4 1020 B5R0.5 CC(C(=O)[O-])O S302327 [0,0,0,0,2,0|2,0,0]=4 1021 B5R0.5 CC(C(=O)[O-])O S334655 [0,0,0,0,2,0|2,0,0]=4 1022 B5R0.5 CC(C(=O)[O-])O S426464 [0,0,0,0,2,0|2,0,0]=4 1023 B5R0.5 CC(C(=O)[O-])O S465689 [0,0,0,0,2,0|2,0,0]=4 1024 B5R0.5 CC(C)C(=C)C D101515 [0,0,0,0,2,0|1,0,0]=3 1025 B5R0.5 CC(C)C(=N)N I335550 [0,0,0,0,2,0|2,0,0]=4 1026 B5R0.5 CC(C)C(=O)C M103677 [0,0,0,0,2,0|0,0,0]=2 1027 B5R0.5 CC(C)C(=O)C M103678 [0,0,0,0,2,0|0,0,0]=2 1028 B5R0.5 CC(C)C(=O)Cl I107549 [0,0,0,0,2,0|1,0,0]=3 1029 B5R0.5 CC(C)C(=O)N I157612 [0,0,0,0,2,0|1,0,0]=3 1030 B5R0.5 CC(C)C(=O)O I103521 [0,0,0,0,2,0|1,0,0]=3 1031 B5R0.5 CC(C)C(=O)O I103522 [0,0,0,0,2,0|1,0,0]=3 1032 B5R0.5 CC(C)C(=O)O I103524 [0,0,0,0,2,0|1,0,0]=3 1033 B5R0.5 CC(C)C(=O)O I303334 [0,0,0,0,2,0|1,0,0]=3 1034 B5R0.5 CC(C)C(=O)O I434199 [0,0,0,0,2,0|1,0,0]=3 1035 B5R0.5 CC(C)C(=O)[O-] P160181 [0,0,0,0,2,0|1,0,0]=3 1036 B5R0.5 CC(C)C(=S)N T140153 [0,0,0,0,2,0|1,1,0]=4 1037 B5R0.5 CC(C)C(C)C D106276 [0,0,0,0,2,0|1,0,1]=4 1038 B5R0.5 CC(C)C(C)C D106277 [0,0,0,0,2,0|1,0,1]=4 1039 B5R0.5 CC(C)C(C)C D106278 [0,0,0,0,2,0|1,0,1]=4 1040 B5R0.5 CC(C)C(C)N A100617 [0,0,0,0,2,0|1,0,1]=4 1041 B5R0.5 CC(C)C(C)N D101300 [0,0,0,0,2,0|1,0,1]=4 1042 B5R0.5 CC(C)C(C)O M158745 [0,0,0,0,2,0|0,0,2]=4 1043 B5R0.5 CC(C)C(C)S M103138 [0,0,0,0,2,0|0,1,1]=4 1044 B5R0.5 CC(C)N(C)C N159099 [0,0,0,0,2,0|2,0,0]=4 1045 B5R0.5 CC(C)[N+](=O)[O-] N107506 [0,0,0,0,2,0|2,0,0]=4 1046 B5R0.5 CC(C)[Si](C)C D356950 [0,0,0,0,2,0|1,1,0]=4 1047 B5R0.5 CN(C)C(=O)Cl D106525 [0,0,0,0,2,0|2,0,0]=4 1048 B5R0.5 CN(C)C(=O)N D155381 [0,0,0,0,2,0|2,0,0]=4 1049 B9R0.55 CC(=O)OCCOC(=O)C E156135 [0,0,0,0,0,2|1,0,1]=4 1050 B9R0.55 CC(=O)OCCOC(=O)C E196368 [0,0,0,0,0,2|1,0,1]=4 1051 B9R0.55 CC(C)CCCCC(=O)O M304994 [0,0,0,0,0,2|2,0,0]=4