0 B7R0.3 C(CC(=O)NN)CO B301222 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.3 C=CC(=O)NCCO N159040 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.3 C=CC(=O)OCC#C P472190 [0,0,0,0,0,0|0,0,4]=4 3 B7R0.3 C=CC(=O)OCCCl C477272 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.3 C=CC(=O)OCCO H104535 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.3 C=CCOC(=O)C=C A151727 [0,0,0,0,0,0|0,0,4]=4 6 B7R0.3 C=CCOC(=O)CCl A113257 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.3 CCC(=O)NCCO N158966 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.3 CCCCC(=C)CC E156236 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.3 CCCCC(=O)CC H103766 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.3 CCCCC(=O)NN P135113 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.3 CCCCC(=O)OC M108213 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.3 CCCCC(=O)OC M108214 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.3 CCCCC(C)CC M113650 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.3 CCCCC(CC)Br B152441 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.3 CCCCC(CC)O H156872 [0,0,0,0,0,0|1,0,2]=3 16 B7R0.3 CCCCC(CO)N R349958 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.3 CCCCC(CO)O H108067 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.3 CCCNC(=O)C=C N404954 [0,0,0,0,0,0|1,0,2]=3 19 B7R0.3 CCCNC(C)CC N158968 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.3 CCCOC(=O)CC P111531 [0,0,0,0,0,0|0,0,0]=0 21 B7R0.3 CCCOC(=O)CC P111532 [0,0,0,0,0,0|0,0,0]=0 22 B7R0.3 COC(=O)C=CCBr M137638 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.3 COC(=O)C=CCBr M158855 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.3 COC(=O)CCC#N M135512 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.3 COC(=O)CCC#N M293045 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.3 COC(=O)CCC=C M338666 [0,0,0,0,0,0|2,0,2]=4 27 B7R0.3 COC(=O)CCCBr M158832 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.3 COC(=O)CCCBr M492178 [0,0,0,0,0,0|3,0,0]=3 29 B7R0.3 COC(=O)CCCCl C108118 [0,0,0,0,0,0|3,0,0]=3 30 B7R0.3 COC(=O)CCCI M167258 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.3 COC(=O)CCCN M124081 [0,0,0,0,0,0|3,0,0]=3 32 B7R0.3 COC(=O)CCSC M302466 [0,0,0,0,0,0|3,0,0]=3 33 B7R0.3 COC(=O)OCC=C A136273 [0,0,0,0,0,0|1,0,2]=3 34 B7R0.3 COC=CC(=O)OC M105075 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.3 COC=CC(=O)OC M135197 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.3 COCCC(=O)OC M134953 [0,0,0,0,0,0|3,0,0]=3 37 B7R0.3 COCOC(=C)CCl C153297 [0,0,0,0,0,0|3,0,0]=3 38 B6R0.1 C(C(=O)NCO)Cl C169257 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.1 C=COC(=O)CCl V162952 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.1 CC#CC(=O)OC M158860 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.1 CC=CC(=O)OC M109486 [1,0,0,0,0,0|1,0,2]=4 42 B6R0.1 CCC(=O)C=CC E404567 [1,0,0,0,0,0|0,0,2]=3 43 B6R0.1 CCC(=O)C=CC H111425 [1,0,0,0,0,0|0,0,2]=3 44 B6R0.1 CCC(=O)OC=C V162937 [1,0,0,0,0,0|0,0,2]=3 45 B6R0.1 CCC(=O)OCC E103457 [1,0,0,0,0,0|0,0,0]=1 46 B6R0.1 CCC(=O)OCC E103458 [1,0,0,0,0,0|0,0,0]=1 47 B6R0.1 CCC(=O)OCC E103459 [1,0,0,0,0,0|0,0,0]=1 48 B6R0.1 CCC(=O)OCC E103460 [1,0,0,0,0,0|0,0,0]=1 49 B6R0.1 CCC(=O)OCC E278958 [1,0,0,0,0,0|0,0,0]=1 50 B6R0.1 CCC(=O)SCC S133123 [1,0,0,0,0,0|0,1,0]=2 51 B6R0.1 CCC(C)OCC S161060 [1,0,0,0,0,0|1,0,1]=3 52 B6R0.1 CCC(CCN)N D155073 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.1 CCC(COC)N A151357 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.1 CCC(COC)O M158749 [1,0,0,0,0,0|1,0,2]=4 55 B6R0.1 CCCC(=O)CC H106710 [1,0,0,0,0,0|0,0,0]=1 56 B6R0.1 CCCC(=O)NN B183968 [1,0,0,0,0,0|2,0,0]=3 57 B6R0.1 CCCC(=O)OC M100038 [1,0,0,0,0,0|1,0,0]=2 58 B6R0.1 CCCC(=O)OC M100039 [1,0,0,0,0,0|1,0,0]=2 59 B6R0.1 CCCC(=O)OC M100040 [1,0,0,0,0,0|1,0,0]=2 60 B6R0.1 CCCC(=O)SC M102997 [1,0,0,0,0,0|1,0,0]=2 61 B6R0.1 CCCC(C)CC M158521 [1,0,0,0,0,0|1,0,1]=3 62 B6R0.1 CCCC(C)CO M113625 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.1 CCCC(CC)Br B152444 [1,0,0,0,0,0|1,0,1]=3 64 B6R0.1 CCCC(CC)Cl C153662 [1,0,0,0,0,0|1,0,1]=3 65 B6R0.1 CCCC(CC)O H133955 [1,0,0,0,0,0|0,0,2]=3 66 B6R0.1 CCCC(CO)N D333561 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.1 CCCC(CO)N I168777 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.1 CCCC(CO)O P108068 [1,0,0,0,0,0|1,0,2]=4 69 B6R0.1 CCNC(=O)C=C N136947 [1,0,0,0,0,0|1,0,2]=4 70 B6R0.1 CCOC(=NO)C E124202 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.1 CCOC(=O)C#C E107738 [1,0,0,0,0,0|0,0,2]=3 72 B6R0.1 CCOC(=O)C#C E357742 [1,0,0,0,0,0|0,0,2]=3 73 B6R0.1 CCOC(=O)C#N E106582 [1,0,0,0,0,0|1,0,1]=3 74 B6R0.1 CCOC(=O)C#N E298724 [1,0,0,0,0,0|1,0,1]=3 75 B6R0.1 CCOC(=O)C=C E112943 [1,0,0,0,0,0|0,0,2]=3 76 B6R0.1 CCOC(=O)C=C E112944 [1,0,0,0,0,0|0,0,2]=3 77 B6R0.1 CCOC(=O)C=C E112945 [1,0,0,0,0,0|0,0,2]=3 78 B6R0.1 CCOC(=O)C=C E465763 [1,0,0,0,0,0|0,0,2]=3 79 B6R0.1 CCOC(=O)C=O E106246 [1,0,0,0,0,0|1,0,1]=3 80 B6R0.1 CCOC(=O)CBr E106090 [1,0,0,0,0,0|1,0,0]=2 81 B6R0.1 CCOC(=O)CCl E105166 [1,0,0,0,0,0|1,0,0]=2 82 B6R0.1 CCOC(=O)CCl E105167 [1,0,0,0,0,0|1,0,0]=2 83 B6R0.1 CCOC(=O)CF E107563 [1,0,0,0,0,0|1,0,0]=2 84 B6R0.1 CCOC(=O)CN G105477 [1,0,0,0,0,0|1,0,0]=2 85 B6R0.1 CCOC(=O)CO E101730 [1,0,0,0,0,0|1,0,0]=2 86 B6R0.1 CCOC(=O)CS E109439 [1,0,0,0,0,0|1,0,0]=2 87 B6R0.1 CCOC(=O)NN E133700 [1,0,0,0,0,0|2,0,0]=3 88 B6R0.1 CCOC(=O)OC E110111 [1,0,0,0,0,0|1,0,0]=2 89 B6R0.1 CCOC(=O)OC E433135 [1,0,0,0,0,0|1,0,0]=2 90 B6R0.1 CNC(=O)CC#N C185694 [1,0,0,0,0,0|2,0,1]=4 91 B6R0.1 COC(=O)CC#N M110112 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.1 COC(=O)CC=C M341924 [1,0,0,0,0,0|1,0,2]=4 93 B6R0.1 COC(=O)CCBr M158830 [1,0,0,0,0,0|2,0,0]=3 94 B6R0.1 COC(=O)CCN A104532 [1,0,0,0,0,0|2,0,0]=3 95 B6R0.1 COC(=O)CCO D304149 [1,0,0,0,0,0|2,0,0]=3 96 B6R0.1 COC(=O)CCS M107600 [1,0,0,0,0,0|2,0,0]=3 97 B6R0.1 COC(=O)CSC M120419 [1,0,0,0,0,0|2,0,0]=3 98 B6R0.1 COC(=O)C[N+]#[C-] M157837 [1,0,0,0,0,0|2,0,1]=4 99 B6R0.1 COC(=O)OCCl C347908 [1,0,0,0,0,0|2,0,0]=3 100 B6R0.1 COCC(=O)OC M106398 [1,0,0,0,0,0|2,0,0]=3 101 B6R0.4 C#CCOC(=O)Cl P468141 [1,0,0,0,0,0|1,0,2]=4 102 B6R0.4 C(CC(=O)Cl)CBr B102197 [1,0,0,0,0,0|3,0,0]=4 103 B6R0.4 C(CC(=O)Cl)CCl C109449 [1,0,0,0,0,0|3,0,0]=4 104 B6R0.4 C(CC(=O)N)CCl C168978 [1,0,0,0,0,0|3,0,0]=4 105 B6R0.4 C(CC(=O)O)CBr B106907 [1,0,0,0,0,0|3,0,0]=4 106 B6R0.4 C(CC(=O)O)CCl C134513 [1,0,0,0,0,0|3,0,0]=4 107 B6R0.4 C(CC(=O)O)CN A104200 [1,0,0,0,0,0|3,0,0]=4 108 B6R0.4 C(CC(=O)O)CN A293557 [1,0,0,0,0,0|3,0,0]=4 109 B6R0.4 C(CC(=O)O)CN A424756 [1,0,0,0,0,0|3,0,0]=4 110 B6R0.4 C(CC(=O)O)CN A468499 [1,0,0,0,0,0|3,0,0]=4 111 B6R0.4 C(CC(=O)O)CN A472038 [1,0,0,0,0,0|3,0,0]=4 112 B6R0.4 C(CC(=O)O)CN G276591 [1,0,0,0,0,0|3,0,0]=4 113 B6R0.4 C(CCl)NC(=O)N C153501 [1,0,0,0,0,0|3,0,0]=4 114 B6R0.4 C(CCl)OC(=O)Cl C136442 [1,0,0,0,0,0|2,0,0]=3 115 B6R0.4 C(CO)NC(=O)N H136122 [1,0,0,0,0,0|3,0,0]=4 116 B6R0.4 C=CCOC(=O)N A467193 [1,0,0,0,0,0|1,0,2]=4 117 B6R0.4 CC(=CCCBr)C B470663 [1,0,0,0,0,0|3,0,0]=4 118 B6R0.4 CC(=O)C=COC M113467 [1,0,0,0,0,0|2,0,1]=4 119 B6R0.4 CC(=O)C=COC M434875 [1,0,0,0,0,0|2,0,1]=4 120 B6R0.4 CC(=O)CCC=C H113634 [1,0,0,0,0,0|1,0,2]=4 121 B6R0.4 CC(=O)CCCBr B345087 [1,0,0,0,0,0|2,0,0]=3 122 B6R0.4 CC(=O)CCCCl C108070 [1,0,0,0,0,0|2,0,0]=3 123 B6R0.4 CC(=O)CCSC M135087 [1,0,0,0,0,0|2,0,0]=3 124 B6R0.4 CC(=O)NCC#N I170553 [1,0,0,0,0,0|2,0,1]=4 125 B6R0.4 CC(=O)NCCN A117219 [1,0,0,0,0,0|2,0,0]=3 126 B6R0.4 CC(=O)NCCO A112970 [1,0,0,0,0,0|2,0,0]=3 127 B6R0.4 CC(=O)NCCO A112971 [1,0,0,0,0,0|2,0,0]=3 128 B6R0.4 CC(=O)NCCS N347842 [1,0,0,0,0,0|2,0,0]=3 129 B6R0.4 CC(=O)OCC#C P304196 [1,0,0,0,0,0|0,0,2]=3 130 B6R0.4 CC(=O)OCC=C A107305 [1,0,0,0,0,0|0,0,2]=3 131 B6R0.4 CC(=O)OCCBr B102635 [1,0,0,0,0,0|1,0,0]=2 132 B6R0.4 CC(=O)OCCCl A140396 [1,0,0,0,0,0|1,0,0]=2 133 B6R0.4 CC(=O)OCCN A588049 [1,0,0,0,0,0|1,0,0]=2 134 B6R0.4 CC(=O)OCCO H156959 [1,0,0,0,0,0|1,0,0]=2 135 B6R0.4 CC(=O)SCCN T340735 [1,0,0,0,0,0|1,1,0]=3 136 B6R0.4 CC(C)OCCO I106814 [1,0,0,0,0,0|2,0,1]=4 137 B6R0.4 CCC#CC(=O)O P137286 [1,0,0,0,0,0|2,0,1]=4 138 B6R0.4 CCC=CC(=O)O T162309 [1,0,0,0,0,0|2,0,1]=4 139 B6R0.4 CCCCC(=N)N D305243 [1,0,0,0,0,0|3,0,0]=4 140 B6R0.4 CCCCC(=O)Br V162931 [1,0,0,0,0,0|2,0,0]=3 141 B6R0.4 CCCCC(=O)C H105743 [1,0,0,0,0,0|1,0,0]=2 142 B6R0.4 CCCCC(=O)C H105744 [1,0,0,0,0,0|1,0,0]=2 143 B6R0.4 CCCCC(=O)C H111491 [1,0,0,0,0,0|1,0,0]=2 144 B6R0.4 CCCCC(=O)C H141140 [1,0,0,0,0,0|1,0,0]=2 145 B6R0.4 CCCCC(=O)Cl V107241 [1,0,0,0,0,0|2,0,0]=3 146 B6R0.4 CCCCC(=O)N V162967 [1,0,0,0,0,0|2,0,0]=3 147 B6R0.4 CCCCC(=O)O V108269 [1,0,0,0,0,0|2,0,0]=3 148 B6R0.4 CCCCC(=O)O V108270 [1,0,0,0,0,0|2,0,0]=3 149 B6R0.4 CCCCC(=O)O V108271 [1,0,0,0,0,0|2,0,0]=3 150 B6R0.4 CCCCC(=O)O V108272 [1,0,0,0,0,0|2,0,0]=3 151 B6R0.4 CCCCC(=O)O V302252 [1,0,0,0,0,0|2,0,0]=3 152 B6R0.4 CCCCC(=O)[O-] S194180 [1,0,0,0,0,0|2,0,0]=3 153 B6R0.4 CCCCC(C)C M158516 [1,0,0,0,0,0|2,0,1]=4 154 B6R0.4 CCCCC(C)Cl C153661 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.4 CCCCC(C)N B301374 [1,0,0,0,0,0|2,0,1]=4 156 B6R0.4 CCCCC(C)O H105565 [1,0,0,0,0,0|1,0,2]=4 157 B6R0.4 CCCCC(C)O I170762 [1,0,0,0,0,0|1,0,2]=4 158 B6R0.4 CCCCC(C)O R588494 [1,0,0,0,0,0|1,0,2]=4 159 B6R0.4 CCCCN(C)C D108036 [1,0,0,0,0,0|3,0,0]=4 160 B6R0.4 CCCC[N+](=O)[O-] N300420 [1,0,0,0,0,0|3,0,0]=4 161 B6R0.4 CCCC[Sn](=O)O M107696 [1,0,0,0,0,0|3,0,0]=4 162 B6R0.4 CCCNC(=O)N P589707 [1,0,0,0,0,0|2,0,0]=3 163 B6R0.4 CCCNC(=S)N P356262 [1,0,0,0,0,0|2,1,0]=4 164 B6R0.4 CCCOC(=O)C P103882 [1,0,0,0,0,0|0,0,0]=1 165 B6R0.4 CCCOC(=O)C P103883 [1,0,0,0,0,0|0,0,0]=1 166 B6R0.4 CCCOC(=O)N P194271 [1,0,0,0,0,0|1,0,0]=2 167 B6R0.4 CCCSC(=O)C S161333 [1,0,0,0,0,0|0,1,0]=2 168 B6R0.4 CCCSC(C)C I157608 [1,0,0,0,0,0|1,1,1]=4 169 B6R0.4 CCNCC(=O)O N159193 [1,0,0,0,0,0|3,0,0]=4 170 B6R0.4 CCOCC(=O)Cl E293992 [1,0,0,0,0,0|3,0,0]=4 171 B6R0.4 CCOCC(=O)O E156174 [1,0,0,0,0,0|3,0,0]=4 172 B6R0.4 CCSCC(=O)O E300419 [1,0,0,0,0,0|3,0,0]=4 173 B6R0.4 CNCCC(=O)O M183299 [1,0,0,0,0,0|3,0,0]=4 174 B6R0.4 COCCC(=O)O M169065 [1,0,0,0,0,0|3,0,0]=4 175 B6R0.4 CSCCC(=O)Cl M158416 [1,0,0,0,0,0|3,0,0]=4 176 B6R0.4 CSCCC(=O)O M158072 [1,0,0,0,0,0|3,0,0]=4 177 B6R0.6 C(CBr)OCCBr B122644 [1,0,0,0,0,0|2,0,1]=4 178 B6R0.6 C(CCl)OCCCl C107457 [1,0,0,0,0,0|2,0,1]=4 179 B6R0.6 C(COCCBr)O B339979 [1,0,0,0,0,0|2,0,1]=4 180 B6R0.6 C(COCCCl)O C118686 [1,0,0,0,0,0|2,0,1]=4 181 B6R0.6 C(COCCI)O I586943 [1,0,0,0,0,0|2,0,1]=4 182 B6R0.6 C(COCCN)N O159975 [1,0,0,0,0,0|2,0,1]=4 183 B6R0.6 C(COCCN)N O160013 [1,0,0,0,0,0|2,0,1]=4 184 B6R0.6 C(COCCO)N A109910 [1,0,0,0,0,0|2,0,1]=4 185 B6R0.6 C(COCCO)N A301832 [1,0,0,0,0,0|2,0,1]=4 186 B6R0.6 C(COCCO)O D110831 [1,0,0,0,0,0|2,0,1]=4 187 B6R0.6 C(COCCO)O D110832 [1,0,0,0,0,0|2,0,1]=4 188 B6R0.6 C(COCCO)O D110833 [1,0,0,0,0,0|2,0,1]=4 189 B6R0.6 C(COCCO)O D110834 [1,0,0,0,0,0|2,0,1]=4 190 B6R0.6 C(COCCO)O D476199 [1,0,0,0,0,0|2,0,1]=4 191 B6R0.6 C(CS)OCCS B152747 [1,0,0,0,0,0|2,0,1]=4 192 B6R0.6 CC=CCCCO H300983 [1,0,0,0,0,0|2,0,1]=4 193 B6R0.6 CCC#CCCO H157360 [1,0,0,0,0,0|2,0,1]=4 194 B6R0.6 CCC=CCCO C426965 [1,0,0,0,0,0|2,0,0]=3 195 B6R0.6 CCC=CCCO H112690 [1,0,0,0,0,0|2,0,0]=3 196 B6R0.6 CCC=CCCO L106205 [1,0,0,0,0,0|2,0,0]=3 197 B6R0.6 CCCC#CCO H157375 [1,0,0,0,0,0|2,0,1]=4 198 B6R0.6 CCCC=CC=O H107633 [1,0,0,0,0,0|2,0,1]=4 199 B6R0.6 CCCC=CC=O T425385 [1,0,0,0,0,0|2,0,1]=4 200 B6R0.6 CCCC=CCO C153482 [1,0,0,0,0,0|2,0,0]=3 201 B6R0.6 CCCC=CCO H102077 [1,0,0,0,0,0|2,0,0]=3 202 B6R0.6 CCCCCCBr B105244 [1,0,0,0,0,0|2,0,1]=4 203 B6R0.6 CCCCCCBr B471923 [1,0,0,0,0,0|2,0,1]=4 204 B6R0.6 CCCCCCC H108102 [1,0,0,0,0,0|1,0,1]=3 205 B6R0.6 CCCCCCC H108103 [1,0,0,0,0,0|1,0,1]=3 206 B6R0.6 CCCCCCC H108105 [1,0,0,0,0,0|1,0,1]=3 207 B6R0.6 CCCCCCC H108108 [1,0,0,0,0,0|1,0,1]=3 208 B6R0.6 CCCCCCC H108111 [1,0,0,0,0,0|1,0,1]=3 209 B6R0.6 CCCCCCC H108112 [1,0,0,0,0,0|1,0,1]=3 210 B6R0.6 CCCCCCC H118382 [1,0,0,0,0,0|1,0,1]=3 211 B6R0.6 CCCCCCC H119701 [1,0,0,0,0,0|1,0,1]=3 212 B6R0.6 CCCCCCCl C109280 [1,0,0,0,0,0|2,0,1]=4 213 B6R0.6 CCCCCCCl C109281 [1,0,0,0,0,0|2,0,1]=4 214 B6R0.6 CCCCCCI I157578 [1,0,0,0,0,0|2,0,1]=4 215 B6R0.6 CCCCCCN H105333 [1,0,0,0,0,0|2,0,1]=4 216 B6R0.6 CCCCCCN H157035 [1,0,0,0,0,0|2,0,1]=4 217 B6R0.6 CCCCCCN H292813 [1,0,0,0,0,0|2,0,1]=4 218 B6R0.6 CCCCCCN H491868 [1,0,0,0,0,0|2,0,1]=4 219 B6R0.6 CCCCCCO H103420 [1,0,0,0,0,0|2,0,1]=4 220 B6R0.6 CCCCCCO H103421 [1,0,0,0,0,0|2,0,1]=4 221 B6R0.6 CCCCCCO H103422 [1,0,0,0,0,0|2,0,1]=4 222 B6R0.6 CCCCCCO H103423 [1,0,0,0,0,0|2,0,1]=4 223 B6R0.6 CCCCCCO H119678 [1,0,0,0,0,0|2,0,1]=4 224 B6R0.6 CCCCCCS H100786 [1,0,0,0,0,0|2,0,1]=4 225 B6R0.6 CCCCCCS H299109 [1,0,0,0,0,0|2,0,1]=4 226 B6R0.6 CCCCCC[NH3+] H292817 [1,0,0,0,0,0|2,0,1]=4 227 B6R0.6 CCCCCC[NH3+] H492547 [1,0,0,0,0,0|2,0,1]=4 228 B6R0.6 CCCCCC[Si] H357381 [1,0,0,0,0,0|1,1,1]=4 229 B6R0.6 CCCCCNC M124210 [1,0,0,0,0,0|2,0,1]=4 230 B6R0.6 CCCCCSC A151354 [1,0,0,0,0,0|2,0,1]=4 231 B6R0.6 CCCCNCC N158928 [1,0,0,0,0,0|2,0,0]=3 232 B6R0.6 CCCCSCC B152507 [1,0,0,0,0,0|2,0,0]=3 233 B6R0.6 CCCNCCC D100329 [1,0,0,0,0,0|1,0,1]=3 234 B6R0.6 CCCNCCC D100330 [1,0,0,0,0,0|1,0,1]=3 235 B6R0.6 CCCNCCC D154684 [1,0,0,0,0,0|1,0,1]=3 236 B6R0.6 CCCNCCC D404364 [1,0,0,0,0,0|1,0,1]=3 237 B6R0.6 CCCNCCN N336391 [1,0,0,0,0,0|2,0,1]=4 238 B6R0.6 CCCOCCC P160596 [1,0,0,0,0,0|0,0,1]=2 239 B6R0.6 CCCOCCCl C137234 [1,0,0,0,0,0|1,0,1]=3 240 B6R0.6 CCCOCCN P160362 [1,0,0,0,0,0|1,0,1]=3 241 B6R0.6 CCCOCCO P107659 [1,0,0,0,0,0|1,0,1]=3 242 B6R0.6 CCCOCCO P299319 [1,0,0,0,0,0|1,0,1]=3 243 B6R0.6 CCCSCCC D102909 [1,0,0,0,0,0|0,1,1]=3 244 B6R0.6 CCNCCCO E300231 [1,0,0,0,0,0|3,0,0]=4 245 B6R0.6 CCOCCCN E156297 [1,0,0,0,0,0|3,0,0]=4 246 B6R0.6 CCOCCCO E108059 [1,0,0,0,0,0|3,0,0]=4 247 B6R0.6 CCOCCOC E331012 [1,0,0,0,0,0|3,0,0]=4 248 B6R0.6 CCOCOCC D109106 [1,0,0,0,0,0|3,0,0]=4 249 B6R0.6 CCOCOCC D139939 [1,0,0,0,0,0|3,0,0]=4 250 B6R0.6 CCO[Sn]OCC T282972 [1,0,0,0,0,0|3,0,0]=4 251 B6R0.6 CCSCCCO E300079 [1,0,0,0,0,0|3,0,0]=4 252 B6R0.6 CCSSSCC D405733 [1,0,0,0,0,0|2,1,0]=4 253 B6R0.6 COCOCCBr B165961 [1,0,0,0,0,0|2,0,1]=4 254 B8R0.1 C=CCOC(=O)CC#N A151102 [0,1,0,0,0,0|0,0,3]=4 255 B8R0.1 CC=CC(=O)OCC=C A168419 [0,1,0,0,0,0|0,0,3]=4 256 B8R0.1 CCC#CC(=O)OCC E189158 [0,1,0,0,0,0|1,0,1]=3 257 B8R0.1 CCCC(=O)OCCC P100043 [0,1,0,0,0,0|0,0,0]=1 258 B8R0.1 CCCC(=O)OCCC P100044 [0,1,0,0,0,0|0,0,0]=1 259 B8R0.1 CCCCC(=O)C=CC O160046 [0,1,0,0,0,0|1,0,1]=3 260 B8R0.1 CCCCC(=O)CCC O160045 [0,1,0,0,0,0|1,0,0]=2 261 B8R0.1 CCCCC(=O)OCC E105293 [0,1,0,0,0,0|1,0,0]=2 262 B8R0.1 CCCCC(=O)OCC E105294 [0,1,0,0,0,0|1,0,0]=2 263 B8R0.1 CCCCC(=O)OCC E118465 [0,1,0,0,0,0|1,0,0]=2 264 B8R0.1 CCCCC(CCC)O O159906 [0,1,0,0,0,0|1,0,2]=4 265 B8R0.1 CCCOC(=O)CC#N P160480 [0,1,0,0,0,0|0,0,1]=2 266 B8R0.1 CCOC(=O)C=CCBr E113754 [0,1,0,0,0,0|2,0,1]=4 267 B8R0.1 CCOC(=O)C=CCBr E589630 [0,1,0,0,0,0|2,0,1]=4 268 B8R0.1 CCOC(=O)CCC=C E156151 [0,1,0,0,0,0|1,0,2]=4 269 B8R0.1 CCOC(=O)CCCBr E106908 [0,1,0,0,0,0|2,0,0]=3 270 B8R0.1 CCOC(=O)CCCBr E639064 [0,1,0,0,0,0|2,0,0]=3 271 B8R0.1 CCOC(=O)CCCCl E135072 [0,1,0,0,0,0|2,0,0]=3 272 B8R0.1 CCOC(=O)CCCCl E493598 [0,1,0,0,0,0|2,0,0]=3 273 B8R0.1 CCOC(=O)CCCN E122453 [0,1,0,0,0,0|2,0,0]=3 274 B8R0.1 CCOC(=O)CCC[CH2-] E465916 [0,1,0,0,0,0|1,0,1]=3 275 B8R0.1 CCOC(=O)CCSC E107629 [0,1,0,0,0,0|2,0,0]=3 276 B8R0.1 CCOC(=O)OCC=C A151039 [0,1,0,0,0,0|0,0,2]=3 277 B8R0.1 CCOCC(=O)OCC E195171 [0,1,0,0,0,0|2,0,0]=3 278 B8R0.3 CC(COC)C(=O)OC M157985 [0,1,0,0,0,0|3,0,0]=4 279 B8R0.3 CCCC(=O)C(C)CC M158867 [0,1,0,0,0,0|2,0,1]=4 280 B8R0.3 CCCC(C(=O)NO)N B300173 [0,1,0,0,0,0|3,0,0]=4 281 B8R0.3 CCCC(C)C(=O)OC B300583 [0,1,0,0,0,0|2,0,0]=3 282 B8R0.3 CCOC(=O)C(=O)CBr E111180 [0,1,0,0,0,0|3,0,0]=4 283 B8R0.3 COC(=O)C(CCBr)Br M588617 [0,1,0,0,0,0|3,0,0]=4 284 B8R0.6 C=CC(=O)OCCC#N C154007 [0,1,0,0,0,0|0,0,3]=4 285 B8R0.6 CCCC=CC(=O)OC M134288 [0,1,0,0,0,0|2,0,0]=3 286 B8R0.6 CCCCCC(=O)C=C O160047 [0,1,0,0,0,0|1,0,2]=4 287 B8R0.6 CCCCCC(=O)CC O106928 [0,1,0,0,0,0|1,0,0]=2 288 B8R0.6 CCCCCC(=O)CC O106929 [0,1,0,0,0,0|1,0,0]=2 289 B8R0.6 CCCCCC(=O)OC M112312 [0,1,0,0,0,0|2,0,0]=3 290 B8R0.6 CCCCCC(=O)OC M112313 [0,1,0,0,0,0|2,0,0]=3 291 B8R0.6 CCCCCC(=O)OC M112314 [0,1,0,0,0,0|2,0,0]=3 292 B8R0.6 CCCCCC(C)CC M158522 [0,1,0,0,0,0|2,0,1]=4 293 B8R0.6 CCCCCC(CC)O O159907 [0,1,0,0,0,0|1,0,2]=4 294 B8R0.6 CCCCNC(=O)C=C N405436 [0,1,0,0,0,0|1,0,2]=4 295 B8R0.6 CCCCNC(=O)CCl N193799 [0,1,0,0,0,0|2,0,0]=3 296 B8R0.6 CCCCOC(=O)C=C B100034 [0,1,0,0,0,0|0,0,2]=3 297 B8R0.6 CCCCOC(=O)C=C B100035 [0,1,0,0,0,0|0,0,2]=3 298 B8R0.6 CCCCOC(=O)C=C B100036 [0,1,0,0,0,0|0,0,2]=3 299 B8R0.6 CCCCOC(=O)C=C B100037 [0,1,0,0,0,0|0,0,2]=3 300 B8R0.6 CCCCOC(=O)CC B152863 [0,1,0,0,0,0|0,0,0]=1 301 B8R0.6 CCCCOC(=O)CCl B152888 [0,1,0,0,0,0|1,0,0]=2 302 B8R0.6 CCCCOC(=O)CO B134012 [0,1,0,0,0,0|1,0,0]=2 303 B8R0.6 CCCCOC(=O)CO B493056 [0,1,0,0,0,0|1,0,0]=2 304 B8R0.6 CCCCOC(=O)CS B152740 [0,1,0,0,0,0|1,0,0]=2 305 B8R0.6 CCCOCC(CO)O O353306 [0,1,0,0,0,0|1,0,2]=4 306 B8R0.6 COC(=O)CCCC=C M158008 [0,1,0,0,0,0|2,0,1]=4 307 B8R0.6 COC(=O)CCCC=O M589623 [0,1,0,0,0,0|2,0,1]=4 308 B8R0.6 COC(=O)CCCCBr M157983 [0,1,0,0,0,0|2,0,0]=3 309 B8R0.6 COC(=O)CCCCCl M167259 [0,1,0,0,0,0|2,0,0]=3 310 B8R0.6 COC(=O)COCCCl M195238 [0,1,0,0,0,0|2,0,0]=3 311 B8R0.6 COCCOC(=O)C=C E102687 [0,1,0,0,0,0|0,0,2]=3 312 B8R0.6 COCCOC(=O)C=C P133111 [0,1,0,0,0,0|0,0,2]=3 313 B8R0.6 COCCOC(=O)C=C P133370 [0,1,0,0,0,0|0,0,2]=3 314 B8R0.6 COCCOC(=O)C=C P136232 [0,1,0,0,0,0|0,0,2]=3 315 B8R0.8 CC(=C)C(=O)OCC#C P345175 [0,1,0,0,0,0|0,0,3]=4 316 B8R0.8 CC(=C)C(=O)OCC=C A106684 [0,1,0,0,0,0|0,0,3]=4 317 B8R0.8 CC(=C)C(=O)OCCBr B589157 [0,1,0,0,0,0|1,0,1]=3 318 B8R0.8 CC(=C)C(=O)OCCCl M140401 [0,1,0,0,0,0|1,0,1]=3 319 B8R0.8 CC(=C)C(=O)OCCN A168938 [0,1,0,0,0,0|1,0,1]=3 320 B8R0.8 CC(=C)C(=O)OCCO H103044 [0,1,0,0,0,0|1,0,1]=3 321 B8R0.8 CC(=C)C(=O)OCCO H140643 [0,1,0,0,0,0|1,0,1]=3 322 B8R0.8 CC(=C)C(=O)OCCO H140644 [0,1,0,0,0,0|1,0,1]=3 323 B8R0.8 CC(=C)C(=O)OCCO H303891 [0,1,0,0,0,0|1,0,1]=3 324 B8R0.8 CC(=C)C(=O)OCCO H434293 [0,1,0,0,0,0|1,0,1]=3 325 B8R0.8 CC(C(=O)NCCO)O N158965 [0,1,0,0,0,0|2,0,0]=3 326 B8R0.8 CCCCC(=O)C(=O)C H106591 [0,1,0,0,0,0|1,0,1]=3 327 B8R0.8 CCCCC(=O)C(=O)[O-] K471800 [0,1,0,0,0,0|2,0,1]=4 328 B8R0.8 CCCCC(=O)C(C)C M158862 [0,1,0,0,0,0|1,0,0]=2 329 B8R0.8 CCCCC(C)C(C)C D155224 [0,1,0,0,0,0|2,0,1]=4 330 B8R0.8 CCCOC(=O)C(=C)C N338922 [0,1,0,0,0,0|0,0,1]=2 331 B8R0.8 CCCOC(=O)C(C)C P133971 [0,1,0,0,0,0|0,0,0]=1 332 B8R0.8 CCCOC(=O)C(C)O P160122 [0,1,0,0,0,0|0,0,0]=1 333 B8R0.8 CN(C)C(=O)CCOC M404748 [0,1,0,0,0,0|3,0,0]=4 334 B8R0.9 CC(=O)CCC(=O)OC M157990 [0,1,0,0,0,0|2,0,1]=4 335 B8R0.9 CC(=O)CCC(=O)OC N196982 [0,1,0,0,0,0|2,0,1]=4 336 B8R0.9 CC(C)CCC(=O)OC M464241 [0,1,0,0,0,0|2,0,0]=3 337 B8R0.9 CC(C)COC(=O)C=C I111441 [0,1,0,0,0,0|0,0,2]=3 338 B8R0.9 CC(CO)OCC(C)O P103208 [0,1,0,0,0,0|2,0,1]=4 339 B8R0.9 CC(CO)OCC(C)O P103209 [0,1,0,0,0,0|2,0,1]=4 340 B8R0.9 CC(CO)OCC(C)O P103210 [0,1,0,0,0,0|2,0,1]=4 341 B8R0.9 CC(CO)OCC(C)O P103211 [0,1,0,0,0,0|2,0,1]=4 342 B8R0.9 CC(CO)OCC(C)O P103212 [0,1,0,0,0,0|2,0,1]=4 343 B8R0.9 CC(CO)OCC(C)O P639154 [0,1,0,0,0,0|2,0,1]=4 344 B8R0.9 CC(COC(=O)C=C)O H100855 [0,1,0,0,0,0|0,0,2]=3 345 B8R0.9 CCC(=O)CCC(=O)O O165944 [0,1,0,0,0,0|2,0,1]=4 346 B8R0.9 CCC(=O)OCC(C)C I157498 [0,1,0,0,0,0|0,0,0]=1 347 B8R0.9 CCC(C)CCC(C)C D155227 [0,1,0,0,0,0|2,0,1]=4 348 B8R0.9 CN(C)CCC(=O)OC M170066 [0,1,0,0,0,0|3,0,0]=4 349 B8R0.11 CCCC=C(CC)C=O E156033 [0,1,0,0,0,0|1,0,0]=2 350 B8R0.11 CCCCC(CC)C=O E156034 [0,1,0,0,0,0|1,0,1]=3 351 B8R0.11 CCCCC(CC)CBr E110127 [0,1,0,0,0,0|2,0,1]=4 352 B8R0.11 CCCCC(CC)CCl C102335 [0,1,0,0,0,0|2,0,1]=4 353 B8R0.11 CCCCC(CC)CN E108992 [0,1,0,0,0,0|2,0,1]=4 354 B8R0.11 CCCCC(CC)CN E133205 [0,1,0,0,0,0|2,0,1]=4 355 B8R0.11 CCCCC(CC)CN E301663 [0,1,0,0,0,0|2,0,1]=4 356 B8R0.11 CCCCC(CC)CO E101075 [0,1,0,0,0,0|1,0,2]=4 357 B8R0.11 CCCCC(CC)CO E101076 [0,1,0,0,0,0|1,0,2]=4 358 B8R0.11 CCCCC(CC)CO E101078 [0,1,0,0,0,0|1,0,2]=4 359 B8R0.11 CCCCC(CC)CO E101080 [0,1,0,0,0,0|1,0,2]=4 360 B8R0.11 CCCCC(CC)CS E102329 [0,1,0,0,0,0|1,1,1]=4 361 B8R0.11 CCCCC(CC)C[O-] T189573 [0,1,0,0,0,0|1,0,2]=4 362 B8R0.11 CCCCN(CC)CC I170392 [0,1,0,0,0,0|3,0,0]=4 363 B8R0.19 C(C(=O)OC(=O)CCl)Cl C104819 [0,1,0,0,0,0|2,0,1]=4 364 B8R0.19 CCC(=O)CC(=O)CC H102410 [0,1,0,0,0,0|1,0,1]=3 365 B8R0.19 CCC(=O)CC(=O)OC M109572 [0,1,0,0,0,0|2,0,1]=4 366 B8R0.19 CCC(=O)OC(=O)CC P106800 [0,1,0,0,0,0|0,0,1]=2 367 B8R0.19 CCC(=O)OC(=O)CC P137907 [0,1,0,0,0,0|0,0,1]=2 368 B8R0.19 CCC(C)CC(=O)CC M158857 [0,1,0,0,0,0|1,0,0]=2 369 B8R0.19 CCC(C)NC(C)CC D108054 [0,1,0,0,0,0|2,0,1]=4 370 B8R0.19 CCC(C)OC(C)CC B113704 [0,1,0,0,0,0|1,0,1]=3 371 B8R0.19 CCC(CC(=O)OC)O M465384 [0,1,0,0,0,0|2,0,0]=3 372 B8R0.19 COC(=O)OC(=O)OC D135145 [0,1,0,0,0,0|2,0,1]=4 373 B8R0.25 CCCCC(C)(CC)O M303984 [0,1,0,0,0,0|1,0,2]=4 374 B8R1.1 C1C(OC(=O)N1)CCl C134365 [0,0,0,1,0,0|2,0,0]=3 375 B8R1.1 C1C(OC(=O)O1)CO G156799 [0,0,0,1,0,0|2,0,0]=3 376 B8R1.1 C1CC(=O)NC1CBr B102457 [0,0,0,1,0,0|2,0,0]=3 377 B8R1.1 C1CC(=O)NC1CBr B102458 [0,0,0,1,0,0|2,0,0]=3 378 B8R1.1 C1CC(=O)NC1CO H103185 [0,0,0,1,0,0|2,0,0]=3 379 B8R1.1 C1CC(=O)NC1CO H103186 [0,0,0,1,0,0|2,0,0]=3 380 B8R1.1 C=CC1COC(=O)O1 V107647 [0,0,0,1,0,0|1,0,2]=4 381 B8R1.1 CC1CCC(O1)CO T346390 [0,0,0,1,0,0|2,0,1]=4 382 B8R1.1 CCC1CCC(=O)O1 C111339 [0,0,0,1,0,0|0,0,0]=1 383 B8R1.1 COC1=CC(=O)CC1 M170478 [0,0,0,1,0,0|2,0,1]=4 384 B8R1.2 C1CCOC(C1)CBr B169755 [0,0,0,1,0,0|2,0,1]=4 385 B8R1.2 C1CCOC(C1)CO T161846 [0,0,0,1,0,0|2,0,1]=4 386 B8R1.2 CCC1CCCCC1 E108913 [0,0,0,1,0,0|2,0,1]=4 387 B8R1.2 CCC1CCCCC1 E108914 [0,0,0,1,0,0|2,0,1]=4 388 B8R1.2 CCC1CCCCN1 E156420 [0,0,0,1,0,0|2,0,1]=4 389 B8R1.2 CCC1CCCCN1 S467334 [0,0,0,1,0,0|2,0,1]=4 390 B8R1.2 CCN1CCCCC1 E110307 [0,0,0,1,0,0|3,0,0]=4 391 B8R1.2 COC1CCCCO1 W196195 [0,0,0,1,0,0|2,0,1]=4 392 B8R1.3 C1C(=O)OCC(=O)O1 G156824 [0,0,0,1,0,0|2,0,1]=4 393 B8R1.3 C1CC(=O)CCC1=O C110959 [0,0,0,1,0,0|2,0,1]=4 394 B8R1.3 C1CC(=O)CCC1N A194532 [0,0,0,1,0,0|2,0,0]=3 395 B8R1.3 C1CC(=O)CCC1O H190648 [0,0,0,1,0,0|2,0,0]=3 396 B8R1.3 C1CC(=O)NCC1O H191838 [0,0,0,1,0,0|2,0,0]=3 397 B8R1.3 CC1=NNC(=O)CC1 D135167 [0,0,0,1,0,0|2,0,1]=4 398 B8R1.3 CC1CCC(=O)CC1 M106719 [0,0,0,1,0,0|1,0,0]=2 399 B8R1.3 CC1CCC(=O)CC1 M113653 [0,0,0,1,0,0|1,0,0]=2 400 B8R1.3 CC1CCC(CC1)Br B301345 [0,0,0,1,0,0|2,0,1]=4 401 B8R1.3 CC1CCC(CC1)C C153597 [0,0,0,1,0,0|2,0,1]=4 402 B8R1.3 CC1CCC(CC1)C D155234 [0,0,0,1,0,0|2,0,1]=4 403 B8R1.3 CC1CCC(CC1)C T161837 [0,0,0,1,0,0|2,0,1]=4 404 B8R1.3 CC1CCC(CC1)N C348902 [0,0,0,1,0,0|2,0,1]=4 405 B8R1.3 CC1CCC(CC1)N C404679 [0,0,0,1,0,0|2,0,1]=4 406 B8R1.3 CC1CCC(CC1)N I132581 [0,0,0,1,0,0|2,0,1]=4 407 B8R1.3 CC1CCC(CC1)N M158849 [0,0,0,1,0,0|2,0,1]=4 408 B8R1.3 CC1CCC(CC1)N M158850 [0,0,0,1,0,0|2,0,1]=4 409 B8R1.3 CC1CCC(CC1)O C153285 [0,0,0,1,0,0|1,0,2]=4 410 B8R1.3 CC1CCC(CC1)O M157776 [0,0,0,1,0,0|1,0,2]=4 411 B8R1.3 CC1CCC(CC1)O T162592 [0,0,0,1,0,0|1,0,2]=4 412 B8R1.3 CN1CCC(=O)CC1 N138232 [0,0,0,1,0,0|2,0,0]=3 413 B8R1.5 C1CC(C(=O)NC1)Br B588801 [0,0,0,1,0,0|2,0,0]=3 414 B8R1.5 C1CC(C(=O)NC1)N A121540 [0,0,0,1,0,0|2,0,0]=3 415 B8R1.5 C1CC(C(=O)NC1)N A121541 [0,0,0,1,0,0|2,0,0]=3 416 B8R1.5 C1CC(C(=O)NC1)N A181382 [0,0,0,1,0,0|2,0,0]=3 417 B8R1.5 C1CC(C(=O)NC1)N I170302 [0,0,0,1,0,0|2,0,0]=3 418 B8R1.5 C1CC(C(=O)NC1)O H191839 [0,0,0,1,0,0|2,0,0]=3 419 B8R1.5 C1CCC(=O)C(=O)C1 C123365 [0,0,0,1,0,0|2,0,1]=4 420 B8R1.5 C1CCC(=O)C(C1)Br B131549 [0,0,0,1,0,0|2,0,0]=3 421 B8R1.5 C1CCC(=O)C(C1)Cl C103549 [0,0,0,1,0,0|2,0,0]=3 422 B8R1.5 C1CCC(=O)C(C1)O H133366 [0,0,0,1,0,0|2,0,0]=3 423 B8R1.5 C1COCC(C1=O)F F176973 [0,0,0,1,0,0|3,0,0]=4 424 B8R1.5 CC1=NCCCN1C D184491 [0,0,0,1,0,0|3,0,0]=4 425 B8R1.5 CC1C(=O)NCCN1 M168916 [0,0,0,1,0,0|2,0,0]=3 426 B8R1.5 CC1C(=O)NCCN1 R195856 [0,0,0,1,0,0|2,0,0]=3 427 B8R1.5 CC1CCCCC1=O M100791 [0,0,0,1,0,0|1,0,0]=2 428 B8R1.5 CC1CCCCC1C D155823 [0,0,0,1,0,0|2,0,1]=4 429 B8R1.5 CC1CCCCC1N M102224 [0,0,0,1,0,0|2,0,1]=4 430 B8R1.5 CC1CCCCC1O C153331 [0,0,0,1,0,0|1,0,2]=4 431 B8R1.5 CC1CCCCC1O M157932 [0,0,0,1,0,0|1,0,2]=4 432 B8R1.5 CC1CNCCC1=O M589544 [0,0,0,1,0,0|2,0,0]=3 433 B8R1.5 CN1CCCCC1=O N335945 [0,0,0,1,0,0|2,0,0]=3 434 B8R1.5 CN1CCCNC1=O M493197 [0,0,0,1,0,0|2,0,0]=3 435 B8R1.22 C1CC(=O)CCNC1 H121983 [0,0,0,1,0,0|2,0,0]=3 436 B8R1.22 C1CCC(=O)C=CC1 C138031 [0,0,0,1,0,0|1,0,1]=3 437 B8R1.22 C1CCC(=O)NCC1 C111698 [0,0,0,1,0,0|1,0,0]=2 438 B8R1.22 C1CCC(=O)NCC1 C111700 [0,0,0,1,0,0|1,0,0]=2 439 B8R1.22 C1CCC(=O)OCC1 C109521 [0,0,0,1,0,0|0,0,0]=1 440 B8R1.22 C1CCC(=O)OCC1 C398060 [0,0,0,1,0,0|0,0,0]=1 441 B8R1.22 C1CCC(=O)OCC1 P299385 [0,0,0,1,0,0|0,0,0]=1 442 B8R1.22 C1CCC(=O)OCC1 P398622 [0,0,0,1,0,0|0,0,0]=1 443 B8R1.22 C1CCC(=O)OCC1 P478241 [0,0,0,1,0,0|0,0,0]=1 444 B8R1.22 C1CCC(=O)OCC1 P485972 [0,0,0,1,0,0|0,0,0]=1 445 B8R1.22 C1CCC(=O)OCC1 P579406 [0,0,0,1,0,0|0,0,0]=1 446 B8R1.22 C1CCC(=S)NCC1 T140461 [0,0,0,1,0,0|1,1,0]=3 447 B8R1.22 C1CCCC(=O)CC1 C111127 [0,0,0,1,0,0|1,0,0]=2 448 B8R1.22 C1CCCC(CC1)Br B152451 [0,0,0,1,0,0|2,0,1]=4 449 B8R1.22 C1CCCC(CC1)Cl C153659 [0,0,0,1,0,0|2,0,1]=4 450 B8R1.22 C1CCCC(CC1)N C153902 [0,0,0,1,0,0|2,0,1]=4 451 B8R1.22 C1CCCC(CC1)O C105241 [0,0,0,1,0,0|1,0,2]=4 452 B8R1.22 C1COCCNC1=O O189427 [0,0,0,1,0,0|2,0,0]=3 453 B8R1.22 C=C1OCCCCO1 M194650 [0,0,0,1,0,0|2,0,0]=3 454 B8R1.38 C1CC(C1)C(=O)NN C348580 [0,0,0,1,0,0|3,0,0]=4 455 B8R1.38 COC(=O)C1CNC1 A132584 [0,0,0,1,0,0|3,0,0]=4 456 B8R1.40 C1CC1NC(=O)CCl C587871 [0,0,0,1,0,0|2,0,0]=3 457 B8R1.50 C1C(C(C(=O)O1)O)O D130853 [0,0,0,1,0,0|2,0,0]=3 458 B8R1.50 CC1C(=O)CCC1=O M136868 [0,0,0,1,0,0|2,0,1]=4 459 B8R1.50 CC1CCC(=O)C1=O M109224 [0,0,0,1,0,0|2,0,1]=4 460 B8R1.50 CC1CCC(=O)N1C D467310 [0,0,0,1,0,0|2,0,0]=3 461 B8R1.50 CN1C(CCC1=O)O H351403 [0,0,0,1,0,0|3,0,0]=4 462 B8R1.52 CCC1(CCCC1)O E134299 [0,0,0,1,0,0|1,0,2]=4 463 B8R1.52 CCC1(OCCO1)C E156042 [0,0,0,1,0,0|2,0,1]=4 464 B8R1.52 CC[N+]1(CCCC1)C E123919 [0,0,0,1,0,0|3,0,0]=4 465 B8R1.52 CC[N+]1(CCCC1)C E156309 [0,0,0,1,0,0|3,0,0]=4 466 B5R0.1 C(CBr)C(=O)Cl B135557 [2,0,0,0,0,0|2,0,0]=4 467 B5R0.1 C(CBr)C(=O)N B152335 [2,0,0,0,0,0|2,0,0]=4 468 B5R0.1 C(CBr)C(=O)O B106081 [2,0,0,0,0,0|2,0,0]=4 469 B5R0.1 C(CCl)C(=O)Cl C109466 [2,0,0,0,0,0|2,0,0]=4 470 B5R0.1 C(CCl)C(=O)N C171099 [2,0,0,0,0,0|2,0,0]=4 471 B5R0.1 C(CCl)C(=O)O C106515 [2,0,0,0,0,0|2,0,0]=4 472 B5R0.1 C(CI)C(=O)O I157542 [2,0,0,0,0,0|2,0,0]=4 473 B5R0.1 C(CN)C(=O)N B135870 [2,0,0,0,0,0|2,0,0]=4 474 B5R0.1 C(CN)C(=O)O A105703 [2,0,0,0,0,0|2,0,0]=4 475 B5R0.1 C(CN)C(=O)O A137901 [2,0,0,0,0,0|2,0,0]=4 476 B5R0.1 C(CN)C(=O)O A494514 [2,0,0,0,0,0|2,0,0]=4 477 B5R0.1 C(CO)C(=O)O H136635 [2,0,0,0,0,0|2,0,0]=4 478 B5R0.1 C(CS)C(=O)O M103035 [2,0,0,0,0,0|2,0,0]=4 479 B5R0.1 C(CS)C(=O)O M103036 [2,0,0,0,0,0|2,0,0]=4 480 B5R0.1 C(CS)C(=O)O M590994 [2,0,0,0,0,0|2,0,0]=4 481 B5R0.1 C(OC(=O)Cl)Cl C153890 [2,0,0,0,0,0|2,0,0]=4 482 B5R0.1 CC(=C)CCO M158231 [2,0,0,0,0,0|2,0,0]=4 483 B5R0.1 CC(=O)CCO H106330 [2,0,0,0,0,0|1,0,0]=3 484 B5R0.1 CC(=O)COC M158844 [2,0,0,0,0,0|1,0,0]=3 485 B5R0.1 CC(=O)NCO A151630 [2,0,0,0,0,0|2,0,0]=4 486 B5R0.1 CC(=O)OC=C P101483 [2,0,0,0,0,0|0,0,2]=4 487 B5R0.1 CC(=O)OC=C P101485 [2,0,0,0,0,0|0,0,2]=4 488 B5R0.1 CC(=O)OC=C P101486 [2,0,0,0,0,0|0,0,2]=4 489 B5R0.1 CC(=O)OC=C P301634 [2,0,0,0,0,0|0,0,2]=4 490 B5R0.1 CC(=O)OC=C P304876 [2,0,0,0,0,0|0,0,2]=4 491 B5R0.1 CC(=O)OC=C P304877 [2,0,0,0,0,0|0,0,2]=4 492 B5R0.1 CC(=O)OC=C P304879 [2,0,0,0,0,0|0,0,2]=4 493 B5R0.1 CC(=O)OC=C P304880 [2,0,0,0,0,0|0,0,2]=4 494 B5R0.1 CC(=O)OC=C P304881 [2,0,0,0,0,0|0,0,2]=4 495 B5R0.1 CC(=O)OC=C P432376 [2,0,0,0,0,0|0,0,2]=4 496 B5R0.1 CC(=O)OC=C P489072 [2,0,0,0,0,0|0,0,2]=4 497 B5R0.1 CC(=O)OC=C V104470 [2,0,0,0,0,0|0,0,2]=4 498 B5R0.1 CC(=O)OC=C V104471 [2,0,0,0,0,0|0,0,2]=4 499 B5R0.1 CC(=O)OC=C V104472 [2,0,0,0,0,0|0,0,2]=4 500 B5R0.1 CC(=O)OCBr B122544 [2,0,0,0,0,0|1,0,0]=3 501 B5R0.1 CC(=O)OCCl C194261 [2,0,0,0,0,0|1,0,0]=3 502 B5R0.1 CC=CC(=O)C P139100 [2,0,0,0,0,0|0,0,2]=4 503 B5R0.1 CCC=C(C)C M158233 [2,0,0,0,0,0|1,0,1]=4 504 B5R0.1 CCCC(=C)C M158211 [2,0,0,0,0,0|1,0,0]=3 505 B5R0.1 CCCC(=O)C P103780 [2,0,0,0,0,0|0,0,0]=2 506 B5R0.1 CCCC(=O)C P103781 [2,0,0,0,0,0|0,0,0]=2 507 B5R0.1 CCCC(=O)C P103782 [2,0,0,0,0,0|0,0,0]=2 508 B5R0.1 CCCC(=O)C P103783 [2,0,0,0,0,0|0,0,0]=2 509 B5R0.1 CCCC(=O)Cl B108666 [2,0,0,0,0,0|1,0,0]=3 510 B5R0.1 CCCC(=O)N B152329 [2,0,0,0,0,0|1,0,0]=3 511 B5R0.1 CCCC(=O)O B110438 [2,0,0,0,0,0|1,0,0]=3 512 B5R0.1 CCCC(=O)O B110439 [2,0,0,0,0,0|1,0,0]=3 513 B5R0.1 CCCC(=O)O B110440 [2,0,0,0,0,0|1,0,0]=3 514 B5R0.1 CCCC(=O)O B110442 [2,0,0,0,0,0|1,0,0]=3 515 B5R0.1 CCCC(=O)O B274612 [2,0,0,0,0,0|1,0,0]=3 516 B5R0.1 CCCC(=O)O B431361 [2,0,0,0,0,0|1,0,0]=3 517 B5R0.1 CCCC(=O)[O-] S102954 [2,0,0,0,0,0|1,0,0]=3 518 B5R0.1 CCCC(=O)[O-] S102956 [2,0,0,0,0,0|1,0,0]=3 519 B5R0.1 CCCC(=O)[O-] S346178 [2,0,0,0,0,0|1,0,0]=3 520 B5R0.1 CCCC(=O)[O-] S421873 [2,0,0,0,0,0|1,0,0]=3 521 B5R0.1 CCCC(C)Br B400517 [2,0,0,0,0,0|1,0,1]=4 522 B5R0.1 CCCC(C)C I157548 [2,0,0,0,0,0|1,0,1]=4 523 B5R0.1 CCCC(C)C M105775 [2,0,0,0,0,0|1,0,1]=4 524 B5R0.1 CCCC(C)C M105776 [2,0,0,0,0,0|1,0,1]=4 525 B5R0.1 CCCC(C)C M105777 [2,0,0,0,0,0|1,0,1]=4 526 B5R0.1 CCCC(C)C M105778 [2,0,0,0,0,0|1,0,1]=4 527 B5R0.1 CCCC(C)C M137744 [2,0,0,0,0,0|1,0,1]=4 528 B5R0.1 CCCC(C)Cl C467357 [2,0,0,0,0,0|1,0,1]=4 529 B5R0.1 CCCC(C)N A151353 [2,0,0,0,0,0|1,0,1]=4 530 B5R0.1 CCCC(C)O P103442 [2,0,0,0,0,0|0,0,2]=4 531 B5R0.1 CCCC(C)O P103443 [2,0,0,0,0,0|0,0,2]=4 532 B5R0.1 CCCC(C)O R138651 [2,0,0,0,0,0|0,0,2]=4 533 B5R0.1 CCCC(C)O S138580 [2,0,0,0,0,0|0,0,2]=4 534 B5R0.1 CCCN(C)C N404354 [2,0,0,0,0,0|2,0,0]=4 535 B5R0.1 CCC[N+](=O)[O-] N109053 [2,0,0,0,0,0|2,0,0]=4 536 B5R0.1 CCNC(=O)C I135660 [2,0,0,0,0,0|1,0,0]=3 537 B5R0.1 CCNC(=O)N E105944 [2,0,0,0,0,0|2,0,0]=4 538 B5R0.1 CCOC(=N)C E132730 [2,0,0,0,0,0|1,0,0]=3 539 B5R0.1 CCOC(=N)N O183619 [2,0,0,0,0,0|2,0,0]=4 540 B5R0.1 CCOC(=O)C E116131 [2,0,0,0,0,0|0,0,0]=2 541 B5R0.1 CCOC(=O)C E116132 [2,0,0,0,0,0|0,0,0]=2 542 B5R0.1 CCOC(=O)C E116133 [2,0,0,0,0,0|0,0,0]=2 543 B5R0.1 CCOC(=O)C E116134 [2,0,0,0,0,0|0,0,0]=2 544 B5R0.1 CCOC(=O)C E116135 [2,0,0,0,0,0|0,0,0]=2 545 B5R0.1 CCOC(=O)C E116136 [2,0,0,0,0,0|0,0,0]=2 546 B5R0.1 CCOC(=O)C E116137 [2,0,0,0,0,0|0,0,0]=2 547 B5R0.1 CCOC(=O)C E116138 [2,0,0,0,0,0|0,0,0]=2 548 B5R0.1 CCOC(=O)C E116139 [2,0,0,0,0,0|0,0,0]=2 549 B5R0.1 CCOC(=O)C E116141 [2,0,0,0,0,0|0,0,0]=2 550 B5R0.1 CCOC(=O)C E116142 [2,0,0,0,0,0|0,0,0]=2 551 B5R0.1 CCOC(=O)C E119698 [2,0,0,0,0,0|0,0,0]=2 552 B5R0.1 CCOC(=O)C E141165 [2,0,0,0,0,0|0,0,0]=2 553 B5R0.1 CCOC(=O)C E302266 [2,0,0,0,0,0|0,0,0]=2 554 B5R0.1 CCOC(=O)C E432070 [2,0,0,0,0,0|0,0,0]=2 555 B5R0.1 CCOC(=O)N C266075 [2,0,0,0,0,0|1,0,0]=3 556 B5R0.1 CCOC(=O)N E424443 [2,0,0,0,0,0|1,0,0]=3 557 B5R0.1 CCOC(=O)N U108629 [2,0,0,0,0,0|1,0,0]=3 558 B5R0.1 CCOC(=O)N U299635 [2,0,0,0,0,0|1,0,0]=3 559 B5R0.1 CCOC(=S)[S-] P110999 [2,0,0,0,0,0|1,1,0]=4 560 B5R0.1 CCOC(=S)[S-] P111000 [2,0,0,0,0,0|1,1,0]=4 561 B5R0.1 CCOC(=S)[S-] S161075 [2,0,0,0,0,0|1,1,0]=4 562 B5R0.1 CCOC(=S)[S-] S298709 [2,0,0,0,0,0|1,1,0]=4 563 B5R0.1 CCO[Si](=O)O E302202 [2,0,0,0,0,0|1,1,0]=4 564 B5R0.1 CCO[Si](C)C D191031 [2,0,0,0,0,0|1,1,0]=4 565 B5R0.1 CCSC(=O)C E107950 [2,0,0,0,0,0|0,1,0]=3 566 B5R0.1 CCSC(=S)C E338928 [2,0,0,0,0,0|0,2,0]=4 567 B5R0.1 CNCC(=O)N S115899 [2,0,0,0,0,0|2,0,0]=4 568 B5R0.1 CNCC(=O)O S102891 [2,0,0,0,0,0|2,0,0]=4 569 B5R0.1 CNCC(=O)O S113893 [2,0,0,0,0,0|2,0,0]=4 570 B5R0.1 CNCC(=O)O S420541 [2,0,0,0,0,0|2,0,0]=4 571 B5R0.1 CNCC(=O)[O-] S189142 [2,0,0,0,0,0|2,0,0]=4 572 B5R0.1 COCC(=O)Cl M124203 [2,0,0,0,0,0|2,0,0]=4 573 B5R0.1 COCC(=O)O M158057 [2,0,0,0,0,0|2,0,0]=4 574 B5R0.1 CSCC(=O)N M158330 [2,0,0,0,0,0|2,0,0]=4 575 B5R0.1 CSCC(=O)O M168970 [2,0,0,0,0,0|2,0,0]=4 576 B5R0.1 CSCS(=O)C M158415 [2,0,0,0,0,0|2,0,0]=4 577 B5R0.2 C(C#N)OC=O C153899 [2,0,0,0,0,0|1,0,1]=4 578 B5R0.2 C(CCl)OCCl C140412 [2,0,0,0,0,0|2,0,0]=4 579 B5R0.2 C=COCCO E135293 [2,0,0,0,0,0|1,0,1]=4 580 B5R0.2 CCC#CCC H157357 [2,0,0,0,0,0|0,0,2]=4 581 B5R0.2 CCC=CC=O T161487 [2,0,0,0,0,0|1,0,1]=4 582 B5R0.2 CCC=CCC C153487 [2,0,0,0,0,0|0,0,1]=3 583 B5R0.2 CCC=CCC H157267 [2,0,0,0,0,0|0,0,1]=3 584 B5R0.2 CCC=CCC T162372 [2,0,0,0,0,0|0,0,1]=3 585 B5R0.2 CCC=CCO C153493 [2,0,0,0,0,0|1,0,1]=4 586 B5R0.2 CCC=CCO T299958 [2,0,0,0,0,0|1,0,1]=4 587 B5R0.2 CCCC#CC H157356 [2,0,0,0,0,0|0,0,2]=4 588 B5R0.2 CCCC=CC C153486 [2,0,0,0,0,0|0,0,1]=3 589 B5R0.2 CCCC=CC H157262 [2,0,0,0,0,0|0,0,1]=3 590 B5R0.2 CCCC=CC T162371 [2,0,0,0,0,0|0,0,1]=3 591 B5R0.2 CCCC=NO B152406 [2,0,0,0,0,0|2,0,0]=4 592 B5R0.2 CCCCC=C H109530 [2,0,0,0,0,0|1,0,1]=4 593 B5R0.2 CCCCC=C H109531 [2,0,0,0,0,0|1,0,1]=4 594 B5R0.2 CCCCC=C H109532 [2,0,0,0,0,0|1,0,1]=4 595 B5R0.2 CCCCC=C H109533 [2,0,0,0,0,0|1,0,1]=4 596 B5R0.2 CCCCC=O V103717 [2,0,0,0,0,0|1,0,0]=3 597 B5R0.2 CCCCCBr B104782 [2,0,0,0,0,0|1,0,1]=4 598 B5R0.2 CCCCCBr B305762 [2,0,0,0,0,0|1,0,1]=4 599 B5R0.2 CCCCCC H100107 [2,0,0,0,0,0|0,0,1]=3 600 B5R0.2 CCCCCC H109653 [2,0,0,0,0,0|0,0,1]=3 601 B5R0.2 CCCCCC H109654 [2,0,0,0,0,0|0,0,1]=3 602 B5R0.2 CCCCCC H109656 [2,0,0,0,0,0|0,0,1]=3 603 B5R0.2 CCCCCC H109659 [2,0,0,0,0,0|0,0,1]=3 604 B5R0.2 CCCCCC H119662 [2,0,0,0,0,0|0,0,1]=3 605 B5R0.2 CCCCCC H121283 [2,0,0,0,0,0|0,0,1]=3 606 B5R0.2 CCCCCC H140380 [2,0,0,0,0,0|0,0,1]=3 607 B5R0.2 CCCCCC H298923 [2,0,0,0,0,0|0,0,1]=3 608 B5R0.2 CCCCCC N431441 [2,0,0,0,0,0|0,0,1]=3 609 B5R0.2 CCCCCCl C109473 [2,0,0,0,0,0|1,0,1]=4 610 B5R0.2 CCCCCCl C109474 [2,0,0,0,0,0|1,0,1]=4 611 B5R0.2 CCCCCF F171115 [2,0,0,0,0,0|1,0,1]=4 612 B5R0.2 CCCCCI I104798 [2,0,0,0,0,0|1,0,1]=4 613 B5R0.2 CCCCCN A105343 [2,0,0,0,0,0|1,0,1]=4 614 B5R0.2 CCCCCN P292685 [2,0,0,0,0,0|1,0,1]=4 615 B5R0.2 CCCCCN P292697 [2,0,0,0,0,0|1,0,1]=4 616 B5R0.2 CCCCCN P292701 [2,0,0,0,0,0|1,0,1]=4 617 B5R0.2 CCCCCN P494144 [2,0,0,0,0,0|1,0,1]=4 618 B5R0.2 CCCCCO N350217 [2,0,0,0,0,0|1,0,1]=4 619 B5R0.2 CCCCCO P108125 [2,0,0,0,0,0|1,0,1]=4 620 B5R0.2 CCCCCO P108126 [2,0,0,0,0,0|1,0,1]=4 621 B5R0.2 CCCCCO P108127 [2,0,0,0,0,0|1,0,1]=4 622 B5R0.2 CCCCCO P108128 [2,0,0,0,0,0|1,0,1]=4 623 B5R0.2 CCCCCO P108129 [2,0,0,0,0,0|1,0,1]=4 624 B5R0.2 CCCCCO P108130 [2,0,0,0,0,0|1,0,1]=4 625 B5R0.2 CCCCCS A100028 [2,0,0,0,0,0|1,0,1]=4 626 B5R0.2 CCCCOC B152821 [2,0,0,0,0,0|1,0,1]=4 627 B5R0.2 CCCCSC B152508 [2,0,0,0,0,0|1,0,1]=4 628 B5R0.2 CCCNCC N159096 [2,0,0,0,0,0|1,0,0]=3 629 B5R0.2 CCCOC=C P137362 [2,0,0,0,0,0|0,0,1]=3 630 B5R0.2 CCCOC=O P160055 [2,0,0,0,0,0|0,0,0]=2 631 B5R0.2 CCCOCC E156162 [2,0,0,0,0,0|0,0,0]=2 632 B5R0.2 CCCSCC E134963 [2,0,0,0,0,0|0,1,0]=3 633 B5R0.2 CCCSSC M103114 [2,0,0,0,0,0|1,1,0]=4 634 B5R0.2 CCNCCN N138023 [2,0,0,0,0,0|2,0,0]=4 635 B5R0.2 CCNCCO E156112 [2,0,0,0,0,0|2,0,0]=4 636 B5R0.2 CCNCCO E301665 [2,0,0,0,0,0|2,0,0]=4 637 B5R0.2 CCNNCC D487275 [2,0,0,0,0,0|2,0,0]=4 638 B5R0.2 CCOC=CC E122346 [2,0,0,0,0,0|0,0,1]=3 639 B5R0.2 CCOCC=C A151091 [2,0,0,0,0,0|0,0,2]=4 640 B5R0.2 CCOCCBr B152837 [2,0,0,0,0,0|1,0,0]=3 641 B5R0.2 CCOCCCl C153264 [2,0,0,0,0,0|1,0,0]=3 642 B5R0.2 CCOCCN E156296 [2,0,0,0,0,0|1,0,0]=3 643 B5R0.2 CCOCCO E110821 [2,0,0,0,0,0|1,0,0]=3 644 B5R0.2 CCOCCO E110822 [2,0,0,0,0,0|1,0,0]=3 645 B5R0.2 CCOCCO E118463 [2,0,0,0,0,0|1,0,0]=3 646 B5R0.2 CCSCCCl C102885 [2,0,0,0,0,0|1,1,0]=4 647 B5R0.2 CCSCCN E170901 [2,0,0,0,0,0|1,1,0]=4 648 B5R0.2 CCSCCN E300178 [2,0,0,0,0,0|1,1,0]=4 649 B5R0.2 CCSCCO E156428 [2,0,0,0,0,0|1,1,0]=4 650 B5R0.2 CCSSCC D140646 [2,0,0,0,0,0|1,1,0]=4 651 B5R0.2 CC[Se][Se]CC D155798 [2,0,0,0,0,0|1,1,0]=4 652 B5R0.2 CSCCC=O M109548 [2,0,0,0,0,0|2,0,0]=4 653 B5R0.2 ClCCOC=C V141139 [2,0,0,0,0,0|1,0,1]=4 654 B5R0.3 C(C(=O)CBr)Br D139292 [2,0,0,0,0,0|2,0,0]=4 655 B5R0.3 CCC(=C)CC E156179 [2,0,0,0,0,0|1,0,0]=3 656 B5R0.3 CCC(=CC)C T162381 [2,0,0,0,0,0|1,0,1]=4 657 B5R0.3 CCC(=O)CC P103791 [2,0,0,0,0,0|0,0,0]=2 658 B5R0.3 CCC(=O)CC P103792 [2,0,0,0,0,0|0,0,0]=2 659 B5R0.3 CCC(=O)CC P103794 [2,0,0,0,0,0|0,0,0]=2 660 B5R0.3 CCC(=O)CO H193640 [2,0,0,0,0,0|1,0,0]=3 661 B5R0.3 CCC(=O)NC N159394 [2,0,0,0,0,0|1,0,0]=3 662 B5R0.3 CCC(=O)NN P342062 [2,0,0,0,0,0|2,0,0]=4 663 B5R0.3 CCC(=O)OC M110420 [2,0,0,0,0,0|0,0,0]=2 664 B5R0.3 CCC(=O)OC M110421 [2,0,0,0,0,0|0,0,0]=2 665 B5R0.3 CCC(=O)OC M110422 [2,0,0,0,0,0|0,0,0]=2 666 B5R0.3 CCC(=O)OC M491732 [2,0,0,0,0,0|0,0,0]=2 667 B5R0.3 CCC(=O)SC S404755 [2,0,0,0,0,0|0,1,0]=3 668 B5R0.3 CCC(C)CC M109051 [2,0,0,0,0,0|1,0,1]=4 669 B5R0.3 CCC(C)CC M109052 [2,0,0,0,0,0|1,0,1]=4 670 B5R0.3 CCC(C)OC S161061 [2,0,0,0,0,0|1,0,1]=4 671 B5R0.3 CCC(CC)Br B106965 [2,0,0,0,0,0|1,0,1]=4 672 B5R0.3 CCC(CC)N A133949 [2,0,0,0,0,0|1,0,1]=4 673 B5R0.3 CCC(CC)O P109359 [2,0,0,0,0,0|0,0,2]=4 674 B5R0.3 CCN(C)CC N159249 [2,0,0,0,0,0|2,0,0]=4 675 B5R0.3 CCN(CC)O D109383 [2,0,0,0,0,0|1,0,1]=4 676 B5R0.3 CCN(CC)O N432573 [2,0,0,0,0,0|1,0,1]=4 677 B5R0.3 CCS(=O)CC E589941 [2,0,0,0,0,0|1,0,0]=3 678 B5R0.3 CC[P+](=O)CC D332476 [2,0,0,0,0,0|1,0,0]=3 679 B5R0.3 CC[Si](C)CC D337339 [2,0,0,0,0,0|1,1,0]=4 680 B5R0.3 CNC(=O)CBr B588815 [2,0,0,0,0,0|2,0,0]=4 681 B5R0.3 CNC(=O)CCl C124467 [2,0,0,0,0,0|2,0,0]=4 682 B5R0.3 CNC(=O)CN A182951 [2,0,0,0,0,0|2,0,0]=4 683 B5R0.3 CNC(=O)CS M124593 [2,0,0,0,0,0|2,0,0]=4 684 B5R0.3 CNC(=O)NC D104702 [2,0,0,0,0,0|2,0,0]=4 685 B5R0.3 COC(=O)C#C M106792 [2,0,0,0,0,0|0,0,2]=4 686 B5R0.3 COC(=O)C=C M100029 [2,0,0,0,0,0|0,0,2]=4 687 B5R0.3 COC(=O)C=C M100030 [2,0,0,0,0,0|0,0,2]=4 688 B5R0.3 COC(=O)C=C M100032 [2,0,0,0,0,0|0,0,2]=4 689 B5R0.3 COC(=O)C=C M100033 [2,0,0,0,0,0|0,0,2]=4 690 B5R0.3 COC(=O)CBr M106900 [2,0,0,0,0,0|1,0,0]=3 691 B5R0.3 COC(=O)CCl M104120 [2,0,0,0,0,0|1,0,0]=3 692 B5R0.3 COC(=O)CCl M104121 [2,0,0,0,0,0|1,0,0]=3 693 B5R0.3 COC(=O)CCl M305846 [2,0,0,0,0,0|1,0,0]=3 694 B5R0.3 COC(=O)CN G105475 [2,0,0,0,0,0|1,0,0]=3 695 B5R0.3 COC(=O)CO M101718 [2,0,0,0,0,0|1,0,0]=3 696 B5R0.3 COC(=O)CS M103140 [2,0,0,0,0,0|1,0,0]=3 697 B5R0.3 COC(=O)NN M106002 [2,0,0,0,0,0|2,0,0]=4 698 B5R0.3 COC(=O)OC D110623 [2,0,0,0,0,0|1,0,0]=3 699 B5R0.3 COC(=O)OC D110625 [2,0,0,0,0,0|1,0,0]=3 700 B5R0.3 COC(=O)OC D119695 [2,0,0,0,0,0|1,0,0]=3 701 B5R0.3 COC(=O)OC D294884 [2,0,0,0,0,0|1,0,0]=3 702 B5R0.3 COC(=O)OC D433121 [2,0,0,0,0,0|1,0,0]=3 703 B5R0.3 COC(=O)OC D433122 [2,0,0,0,0,0|1,0,0]=3 704 B5R0.3 COC(=O)OC D433123 [2,0,0,0,0,0|1,0,0]=3 705 B5R0.3 COS(=O)OC D106795 [2,0,0,0,0,0|2,0,0]=4 706 B5R0.3 CO[P+](=O)OC D304802 [2,0,0,0,0,0|2,0,0]=4 707 B7R0.2 CC(=O)CC(=O)OC M108598 [1,1,0,0,0,0|1,0,1]=4 708 B7R0.2 CC(=O)CC(=O)OC M108599 [1,1,0,0,0,0|1,0,1]=4 709 B7R0.2 CC(=O)CC(=O)OC M108601 [1,1,0,0,0,0|1,0,1]=4 710 B7R0.2 CC(C)CC(=O)OC M157988 [1,1,0,0,0,0|1,0,0]=3 711 B7R0.2 CC(C)NC(=O)CBr B194928 [1,1,0,0,0,0|2,0,0]=4 712 B7R0.2 CC(C)OC(=O)C=C I589892 [1,1,0,0,0,0|0,0,2]=4 713 B7R0.2 CC(C)OC(=O)CCl I157694 [1,1,0,0,0,0|1,0,0]=3 714 B7R0.2 CC(CC(=O)OC)N R190811 [1,1,0,0,0,0|1,0,0]=3 715 B7R0.2 CC(CC(=O)OC)N S587134 [1,1,0,0,0,0|1,0,0]=3 716 B7R0.2 CC(CC(=O)OC)O H124084 [1,1,0,0,0,0|1,0,0]=3 717 B7R0.2 CC(CC(=O)OC)O H124101 [1,1,0,0,0,0|1,0,0]=3 718 B7R0.2 CCC(=O)CC(=O)C H192611 [1,1,0,0,0,0|0,0,1]=3 719 B7R0.2 CCC(=O)CC(C)C E156458 [1,1,0,0,0,0|0,0,0]=2 720 B7R0.2 CCC(=O)OC(C)C I157496 [1,1,0,0,0,0|0,0,0]=2 721 B7R0.2 CCC(C)CC(C)C D155187 [1,1,0,0,0,0|1,0,1]=4 722 B7R0.2 CCC(C)CC(C)N D135535 [1,1,0,0,0,0|1,0,1]=4 723 B7R0.2 CN(C)CC(=O)OC N304465 [1,1,0,0,0,0|2,0,0]=4 724 B7R0.5 CCCC(=O)C(=O)C H106696 [1,1,0,0,0,0|0,0,1]=3 725 B7R0.5 CCCC(=O)C(=O)O O159954 [1,1,0,0,0,0|1,0,1]=4 726 B7R0.5 CCCC(C)C(C)C D155209 [1,1,0,0,0,0|1,0,1]=4 727 B7R0.5 CCOC(=O)C(=C)C E103001 [1,1,0,0,0,0|0,0,1]=3 728 B7R0.5 CCOC(=O)C(=C)C E103002 [1,1,0,0,0,0|0,0,1]=3 729 B7R0.5 CCOC(=O)C(=C)C E492609 [1,1,0,0,0,0|0,0,1]=3 730 B7R0.5 CCOC(=O)C(=O)C E113332 [1,1,0,0,0,0|0,0,1]=3 731 B7R0.5 CCOC(=O)C(=O)Cl E109372 [1,1,0,0,0,0|1,0,1]=4 732 B7R0.5 CCOC(=O)C(=O)N E156399 [1,1,0,0,0,0|1,0,1]=4 733 B7R0.5 CCOC(=O)C(=O)[O-] E156500 [1,1,0,0,0,0|1,0,1]=4 734 B7R0.5 CCOC(=O)C(=S)N E101723 [1,1,0,0,0,0|1,0,1]=4 735 B7R0.5 CCOC(=O)C(Br)Br E331036 [1,1,0,0,0,0|1,0,0]=3 736 B7R0.5 CCOC(=O)C(C)Br E106089 [1,1,0,0,0,0|0,0,0]=2 737 B7R0.5 CCOC(=O)C(C)Br E400066 [1,1,0,0,0,0|0,0,0]=2 738 B7R0.5 CCOC(=O)C(C)C E156123 [1,1,0,0,0,0|0,0,0]=2 739 B7R0.5 CCOC(=O)C(C)Cl E100647 [1,1,0,0,0,0|0,0,0]=2 740 B7R0.5 CCOC(=O)C(C)F E135615 [1,1,0,0,0,0|0,0,0]=2 741 B7R0.5 CCOC(=O)C(C)I E156364 [1,1,0,0,0,0|0,0,0]=2 742 B7R0.5 CCOC(=O)C(C)N A109010 [1,1,0,0,0,0|0,0,0]=2 743 B7R0.5 CCOC(=O)C(C)N A117183 [1,1,0,0,0,0|0,0,0]=2 744 B7R0.5 CCOC(=O)C(C)N D304158 [1,1,0,0,0,0|0,0,0]=2 745 B7R0.5 CCOC(=O)C(C)O E104551 [1,1,0,0,0,0|0,0,0]=2 746 B7R0.5 CCOC(=O)C(C)O E104553 [1,1,0,0,0,0|0,0,0]=2 747 B7R0.5 CCOC(=O)C(C)O E104554 [1,1,0,0,0,0|0,0,0]=2 748 B7R0.5 CCOC(=O)C(C)O E108228 [1,1,0,0,0,0|0,0,0]=2 749 B7R0.5 CCOC(=O)C(C)O E108230 [1,1,0,0,0,0|0,0,0]=2 750 B7R0.5 CCOC(=O)C(C)O E465744 [1,1,0,0,0,0|0,0,0]=2 751 B7R0.5 CCOC(=O)C(C)S E156189 [1,1,0,0,0,0|0,0,0]=2 752 B7R0.5 CCOC(=O)C(Cl)Cl E193802 [1,1,0,0,0,0|1,0,0]=3 753 B7R0.5 CCOC(=O)C(F)Br E102105 [1,1,0,0,0,0|1,0,0]=3 754 B7R0.5 CCOC(=O)C(F)Cl E138797 [1,1,0,0,0,0|1,0,0]=3 755 B7R0.5 CCOC(=O)C(F)F E101733 [1,1,0,0,0,0|1,0,0]=3 756 B7R0.5 CCOC(=O)C(F)F E616466 [1,1,0,0,0,0|1,0,0]=3 757 B7R0.5 CCOC(=O)C(F)I E331038 [1,1,0,0,0,0|1,0,0]=3 758 B7R0.5 CN(C)C(=O)COC M589066 [1,1,0,0,0,0|2,0,0]=4 759 B7R0.7 CCCC(=O)CCC H103840 [1,1,0,0,0,0|0,0,0]=2 760 B7R0.7 CCCC(=O)CCC H103841 [1,1,0,0,0,0|0,0,0]=2 761 B7R0.7 CCCC(=O)OC=C V162944 [1,1,0,0,0,0|0,0,2]=4 762 B7R0.7 CCCC(=O)OCC E101116 [1,1,0,0,0,0|0,0,0]=2 763 B7R0.7 CCCC(=O)OCC E101117 [1,1,0,0,0,0|0,0,0]=2 764 B7R0.7 CCCC(=O)OCC E101119 [1,1,0,0,0,0|0,0,0]=2 765 B7R0.7 CCCC(=O)OCCl C153957 [1,1,0,0,0,0|1,0,0]=3 766 B7R0.7 CCCC(C)CCC M113651 [1,1,0,0,0,0|1,0,1]=4 767 B7R0.7 CCCC(CCC)N H156930 [1,1,0,0,0,0|1,0,1]=4 768 B7R0.7 CCCC(CCC)O H156873 [1,1,0,0,0,0|0,0,2]=4 769 B7R0.7 CCCC(CCO)S M102905 [1,1,0,0,0,0|0,1,1]=4 770 B7R0.7 CCCN(C)CCC I169711 [1,1,0,0,0,0|2,0,0]=4 771 B7R0.7 CCNC(=O)CC#N C181647 [1,1,0,0,0,0|1,0,1]=4 772 B7R0.7 CCNC(=O)NCC D108032 [1,1,0,0,0,0|1,0,0]=3 773 B7R0.7 CCNC(=S)NCC D154883 [1,1,0,0,0,0|1,1,0]=4 774 B7R0.7 CCOC(=O)C#CC E106247 [1,1,0,0,0,0|0,0,1]=3 775 B7R0.7 CCOC(=O)C=CC E156252 [1,1,0,0,0,0|0,0,1]=3 776 B7R0.7 CCOC(=O)C=C[O-] E176875 [1,1,0,0,0,0|0,0,2]=4 777 B7R0.7 CCOC(=O)C=[N+]=[N-] E100922 [1,1,0,0,0,0|1,0,1]=4 778 B7R0.7 CCOC(=O)CC#N E105739 [1,1,0,0,0,0|0,0,1]=3 779 B7R0.7 CCOC(=O)CC#N E105740 [1,1,0,0,0,0|0,0,1]=3 780 B7R0.7 CCOC(=O)CC=C E587504 [1,1,0,0,0,0|0,0,1]=3 781 B7R0.7 CCOC(=O)CCBr E106956 [1,1,0,0,0,0|0,0,0]=2 782 B7R0.7 CCOC(=O)CCCl E100652 [1,1,0,0,0,0|0,0,0]=2 783 B7R0.7 CCOC(=O)CCI E185756 [1,1,0,0,0,0|0,0,0]=2 784 B7R0.7 CCOC(=O)CCN A100434 [1,1,0,0,0,0|0,0,0]=2 785 B7R0.7 CCOC(=O)CCO E185621 [1,1,0,0,0,0|0,0,0]=2 786 B7R0.7 CCOC(=O)CCS E119585 [1,1,0,0,0,0|0,0,0]=2 787 B7R0.7 CCOC(=O)CC[CH2-] E465885 [1,1,0,0,0,0|0,0,0]=2 788 B7R0.7 CCOC(=O)CNC E115901 [1,1,0,0,0,0|0,0,0]=2 789 B7R0.7 CCOC(=O)CNN E134414 [1,1,0,0,0,0|1,0,0]=3 790 B7R0.7 CCOC(=O)COC E136304 [1,1,0,0,0,0|0,0,0]=2 791 B7R0.7 CCOC(=O)CSC E156475 [1,1,0,0,0,0|0,0,0]=2 792 B7R0.7 CCOC(=O)C[N+]#[C-] E156037 [1,1,0,0,0,0|0,0,1]=3 793 B7R0.7 CCOC(=O)C[N+]#[C-] E400243 [1,1,0,0,0,0|0,0,1]=3 794 B7R0.7 CCOC(=O)N=C=S E123540 [1,1,0,0,0,0|1,0,1]=4 795 B7R0.7 CCOC(=O)N=C=S E638552 [1,1,0,0,0,0|1,0,1]=4 796 B7R0.7 CCOC(=O)OCC D103040 [1,1,0,0,0,0|0,0,0]=2 797 B7R0.7 CCOC(=O)OCCl C192930 [1,1,0,0,0,0|1,0,0]=3 798 B7R0.7 CCOC(C)OCC A109196 [1,1,0,0,0,0|1,0,1]=4 799 B7R0.7 CCOC(C)OCC A109197 [1,1,0,0,0,0|1,0,1]=4 800 B7R0.7 CCOP(OCC)Cl D123978 [1,1,0,0,0,0|2,0,0]=4 801 B7R0.7 CCOP(OCC)Cl D501093 [1,1,0,0,0,0|2,0,0]=4 802 B7R0.7 CCOS(=O)OCC D122901 [1,1,0,0,0,0|1,0,0]=3 803 B7R0.7 CCO[P+](=O)OCC D109100 [1,1,0,0,0,0|1,0,0]=3 804 B7R0.7 CCO[Si](C)OCC D155451 [1,1,0,0,0,0|1,1,0]=4 805 B7R0.10 CC(C(=O)OC)NC S587983 [1,1,0,0,0,0|2,0,0]=4 806 B7R0.10 CC(CBr)C(=O)OC M158847 [1,1,0,0,0,0|2,0,0]=4 807 B7R0.10 CC(CBr)C(=O)OC M409449 [1,1,0,0,0,0|2,0,0]=4 808 B7R0.10 CC(CO)C(=O)OC M589106 [1,1,0,0,0,0|2,0,0]=4 809 B7R0.10 CC(CO)C(=O)OC R136025 [1,1,0,0,0,0|2,0,0]=4 810 B7R0.10 CC(CO)C(=O)OC S133601 [1,1,0,0,0,0|2,0,0]=4 811 B7R0.10 CCC(=O)C(=O)CC H102539 [1,1,0,0,0,0|0,0,1]=3 812 B7R0.10 CCC(=O)N(C)OC N404710 [1,1,0,0,0,0|2,0,0]=4 813 B7R0.10 CCC(C(=O)CC)O P121219 [1,1,0,0,0,0|0,0,0]=2 814 B7R0.10 CCC(C(=O)OC)Br M110203 [1,1,0,0,0,0|1,0,0]=3 815 B7R0.10 CCC(C(=O)OC)N D134538 [1,1,0,0,0,0|1,0,0]=3 816 B7R0.10 CCC(C(=O)OC)N S304011 [1,1,0,0,0,0|1,0,0]=3 817 B7R0.10 CCC(C(=O)OC)O M588620 [1,1,0,0,0,0|1,0,0]=3 818 B7R0.10 CCC(C(=O)OC)O M590030 [1,1,0,0,0,0|1,0,0]=3 819 B7R0.10 CCC(C(=O)OC)O R590029 [1,1,0,0,0,0|1,0,0]=3 820 B7R0.10 CCC(C)C(=O)OC M157989 [1,1,0,0,0,0|1,0,0]=3 821 B7R0.10 COC(=O)C(CBr)Br M167887 [1,1,0,0,0,0|2,0,0]=4 822 B7R0.10 COC(=O)C(CCl)Cl M121841 [1,1,0,0,0,0|2,0,0]=4 823 B7R0.10 COC(=O)C(CCl)N M588771 [1,1,0,0,0,0|2,0,0]=4 824 B7R0.10 COC(=O)C(CCl)N S134256 [1,1,0,0,0,0|2,0,0]=4 825 B7R0.10 COC(=O)C(CO)N S101064 [1,1,0,0,0,0|2,0,0]=4 826 B7R0.10 COC(=O)C(CO)N S109008 [1,1,0,0,0,0|2,0,0]=4 827 B7R0.10 COC(=O)C(CO)N S117181 [1,1,0,0,0,0|2,0,0]=4 828 B7R0.10 COC(=O)C(CO)O R587787 [1,1,0,0,0,0|2,0,0]=4 829 B7R0.10 COC(=O)C(CO)O S178884 [1,1,0,0,0,0|2,0,0]=4 830 B7R0.10 COC(=O)C(CS)N C105474 [1,1,0,0,0,0|2,0,0]=4 831 B7R0.10 COC(=O)C(CS)N S133993 [1,1,0,0,0,0|2,0,0]=4 832 B7R0.11 CCC(C)(C)OCC T162410 [1,1,0,0,0,0|1,0,1]=4 833 B7R0.12 CCN(CCO)N=O N158964 [1,1,0,0,0,0|2,0,0]=4 834 B7R0.4 C(CCBr)CC(=O)Cl B138857 [1,1,0,0,0,0|2,0,0]=4 835 B7R0.4 C(CCBr)CC(=O)O B106966 [1,1,0,0,0,0|2,0,0]=4 836 B7R0.4 C(CCCl)CC(=O)Cl C102473 [1,1,0,0,0,0|2,0,0]=4 837 B7R0.4 C(CCCl)CC(=O)O C153468 [1,1,0,0,0,0|2,0,0]=4 838 B7R0.4 C(CCN)CC(=O)O A107493 [1,1,0,0,0,0|2,0,0]=4 839 B7R0.4 C(CCN)CC(=O)O A151151 [1,1,0,0,0,0|2,0,0]=4 840 B7R0.4 C(CCN)CC(=O)O A151349 [1,1,0,0,0,0|2,0,0]=4 841 B7R0.4 C(CCN)CC(=O)O A491891 [1,1,0,0,0,0|2,0,0]=4 842 B7R0.4 C(CCN)CC(=O)O A491894 [1,1,0,0,0,0|2,0,0]=4 843 B7R0.4 C(CCO)CC(=O)[O-] H184096 [1,1,0,0,0,0|2,0,0]=4 844 B7R0.4 C(CCl)OCC(=O)N C193030 [1,1,0,0,0,0|2,0,0]=4 845 B7R0.4 CC(=O)CCCC#N K157732 [1,1,0,0,0,0|1,0,1]=4 846 B7R0.4 CC(=O)CCCCCl C108058 [1,1,0,0,0,0|1,0,0]=3 847 B7R0.4 CC(=O)OCCCCl C135233 [1,1,0,0,0,0|0,0,0]=2 848 B7R0.4 CC(=O)OCCOC M106167 [1,1,0,0,0,0|0,0,0]=2 849 B7R0.4 CC(=O)SCCCBr B333089 [1,1,0,0,0,0|0,1,0]=3 850 B7R0.4 CC(C)OCCCN A133357 [1,1,0,0,0,0|1,0,1]=4 851 B7R0.4 CCCC=CC(=O)C H156932 [1,1,0,0,0,0|1,0,0]=3 852 B7R0.4 CCCC=CC(=O)O H107513 [1,1,0,0,0,0|2,0,0]=4 853 B7R0.4 CCCC=CC(=O)O H400070 [1,1,0,0,0,0|2,0,0]=4 854 B7R0.4 CCCCCC(=C)C M158504 [1,1,0,0,0,0|2,0,0]=4 855 B7R0.4 CCCCCC(=O)C H103803 [1,1,0,0,0,0|1,0,0]=3 856 B7R0.4 CCCCCC(=O)C H103827 [1,1,0,0,0,0|1,0,0]=3 857 B7R0.4 CCCCCC(=O)Cl H102419 [1,1,0,0,0,0|2,0,0]=4 858 B7R0.4 CCCCCC(=O)Cl H130076 [1,1,0,0,0,0|2,0,0]=4 859 B7R0.4 CCCCCC(=O)N H157108 [1,1,0,0,0,0|2,0,0]=4 860 B7R0.4 CCCCCC(=O)O H103630 [1,1,0,0,0,0|2,0,0]=4 861 B7R0.4 CCCCCC(=O)O H103631 [1,1,0,0,0,0|2,0,0]=4 862 B7R0.4 CCCCCC(=O)O H103632 [1,1,0,0,0,0|2,0,0]=4 863 B7R0.4 CCCCCC(=O)O H278778 [1,1,0,0,0,0|2,0,0]=4 864 B7R0.4 CCCCCC(=O)O H432079 [1,1,0,0,0,0|2,0,0]=4 865 B7R0.4 CCCCCC(=O)[O-] S161313 [1,1,0,0,0,0|2,0,0]=4 866 B7R0.4 CCCCNC(=O)N B152704 [1,1,0,0,0,0|2,0,0]=4 867 B7R0.4 CCCCOC(=O)C B116224 [1,1,0,0,0,0|0,0,0]=2 868 B7R0.4 CCCCOC(=O)C B116225 [1,1,0,0,0,0|0,0,0]=2 869 B7R0.4 CCCCOC(=O)C B116227 [1,1,0,0,0,0|0,0,0]=2 870 B7R0.4 CCCCOC(=O)C B116228 [1,1,0,0,0,0|0,0,0]=2 871 B7R0.4 CCCCOC(=O)C B119685 [1,1,0,0,0,0|0,0,0]=2 872 B7R0.4 CCCCOC(=O)N B152422 [1,1,0,0,0,0|1,0,0]=3 873 B7R0.4 CCCCOC(=S)[S-] P160349 [1,1,0,0,0,0|1,1,0]=4 874 B7R0.4 CCCCO[N+](=O)[O-] N334844 [1,1,0,0,0,0|2,0,0]=4 875 B7R0.4 CCCOCC(C)O P160113 [1,1,0,0,0,0|0,0,2]=4 876 B7R0.4 CCOCCC(=O)C E156453 [1,1,0,0,0,0|1,0,0]=3 877 B7R0.4 CCOCCC(=O)O E156172 [1,1,0,0,0,0|2,0,0]=4 878 B7R0.4 CNCCCC(=O)O M276212 [1,1,0,0,0,0|2,0,0]=4 879 B7R0.4 CNCCCC(=O)O M397624 [1,1,0,0,0,0|2,0,0]=4 880 B7R0.4 COCCCC(=O)O M192558 [1,1,0,0,0,0|2,0,0]=4 881 B7R0.4 COCCOC(=O)Cl M158778 [1,1,0,0,0,0|1,0,0]=3 882 B7R0.4 [CH]CCCCC(=O)[N] P111447 [1,1,0,0,0,0|2,0,0]=4 883 B7R0.4 [CH]CCCCC(=O)[N] P128923 [1,1,0,0,0,0|2,0,0]=4 884 B7R0.6 CC(=C)COC(=O)C M158238 [1,1,0,0,0,0|0,0,1]=3 885 B7R0.6 CC(=O)CCC(=O)C H106697 [1,1,0,0,0,0|1,0,1]=4 886 B7R0.6 CC(=O)CCC(=O)C H106698 [1,1,0,0,0,0|1,0,1]=4 887 B7R0.6 CC(=O)CCC(=O)C H106699 [1,1,0,0,0,0|1,0,1]=4 888 B7R0.6 CC(=O)COC(=O)C A151657 [1,1,0,0,0,0|0,0,1]=3 889 B7R0.6 CC(=O)OCC(=O)Cl A100732 [1,1,0,0,0,0|1,0,1]=4 890 B7R0.6 CC(=O)OCC(=O)O A167143 [1,1,0,0,0,0|1,0,1]=4 891 B7R0.6 CC(=O)OCC(F)F D154397 [1,1,0,0,0,0|1,0,0]=3 892 B7R0.6 CC(C)C=CC(=O)C M170732 [1,1,0,0,0,0|1,0,1]=4 893 B7R0.6 CC(C)CC=C(C)C D155272 [1,1,0,0,0,0|2,0,0]=4 894 B7R0.6 CC(C)CCC(=C)C D155278 [1,1,0,0,0,0|2,0,0]=4 895 B7R0.6 CC(C)CCC(=O)C M106666 [1,1,0,0,0,0|1,0,0]=3 896 B7R0.6 CC(C)CCC(=O)Cl M158759 [1,1,0,0,0,0|2,0,0]=4 897 B7R0.6 CC(C)CCC(=O)O M117869 [1,1,0,0,0,0|2,0,0]=4 898 B7R0.6 CC(C)COC(=O)C I110418 [1,1,0,0,0,0|0,0,0]=2 899 B7R0.6 CC(C)COC(=O)C I110419 [1,1,0,0,0,0|0,0,0]=2 900 B7R0.6 CC(C)COC(=O)Cl I105738 [1,1,0,0,0,0|1,0,0]=3 901 B7R0.6 CC(C)CO[N+](=O)[O-] I334869 [1,1,0,0,0,0|2,0,0]=4 902 B7R0.6 CC(C)NNC(=O)C N193444 [1,1,0,0,0,0|2,0,0]=4 903 B7R0.6 CC(C)OCC(C)O I404594 [1,1,0,0,0,0|1,0,1]=4 904 B7R0.8 CCCOS(=O)(=O)C P160510 [1,1,0,0,0,0|1,0,0]=3 905 B7R0.8 CCCO[Si](C)(C)C T357378 [1,1,0,0,0,0|1,1,0]=4 906 B7R0.8 CS(=O)(=O)OCCCl C138729 [1,1,0,0,0,0|2,0,0]=4 907 B7R0.1 C(CO)C=CCCO H341806 [1,1,0,0,0,0|2,0,0]=4 908 B7R0.1 CCC=CCCC=O C154040 [1,1,0,0,0,0|1,0,1]=4 909 B7R0.1 CCC=CCCCO C153484 [1,1,0,0,0,0|1,0,0]=3 910 B7R0.1 CCCC#CCCC O106927 [1,1,0,0,0,0|1,0,1]=4 911 B7R0.1 CCCC#CCCO H157374 [1,1,0,0,0,0|1,0,1]=4 912 B7R0.1 CCCC=CCCC C153585 [1,1,0,0,0,0|1,0,0]=3 913 B7R0.1 CCCC=CCCC T161815 [1,1,0,0,0,0|1,0,0]=3 914 B7R0.1 CCCC=CCCO C332847 [1,1,0,0,0,0|1,0,0]=3 915 B7R0.1 CCCCC=CCC C153584 [1,1,0,0,0,0|1,0,0]=3 916 B7R0.1 CCCCC=CCC T161817 [1,1,0,0,0,0|1,0,0]=3 917 B7R0.1 CCCCC=CCO T161435 [1,1,0,0,0,0|1,0,1]=4 918 B7R0.1 CCCCCC=CC C153583 [1,1,0,0,0,0|1,0,1]=4 919 B7R0.1 CCCCCC=CC O159996 [1,1,0,0,0,0|1,0,1]=4 920 B7R0.1 CCCCCC=CC T161814 [1,1,0,0,0,0|1,0,1]=4 921 B7R0.1 CCCCCCCBr B109258 [1,1,0,0,0,0|1,0,1]=4 922 B7R0.1 CCCCCCCC O100577 [1,1,0,0,0,0|1,0,1]=4 923 B7R0.1 CCCCCCCC O100578 [1,1,0,0,0,0|1,0,1]=4 924 B7R0.1 CCCCCCCC O100580 [1,1,0,0,0,0|1,0,1]=4 925 B7R0.1 CCCCCCCC O100581 [1,1,0,0,0,0|1,0,1]=4 926 B7R0.1 CCCCCCCC O119714 [1,1,0,0,0,0|1,0,1]=4 927 B7R0.1 CCCCCCCCl C153657 [1,1,0,0,0,0|1,0,1]=4 928 B7R0.1 CCCCCCCI I157581 [1,1,0,0,0,0|1,0,1]=4 929 B7R0.1 CCCCCCCN H113175 [1,1,0,0,0,0|1,0,1]=4 930 B7R0.1 CCCCCCCO H108210 [1,1,0,0,0,0|1,0,1]=4 931 B7R0.1 CCCCCCCO H108211 [1,1,0,0,0,0|1,0,1]=4 932 B7R0.1 CCCCCCCO H108212 [1,1,0,0,0,0|1,0,1]=4 933 B7R0.1 CCCCCCCS H102322 [1,1,0,0,0,0|1,0,1]=4 934 B7R0.1 CCCCCCNC N341547 [1,1,0,0,0,0|1,0,1]=4 935 B7R0.1 CCCCCCOC H157292 [1,1,0,0,0,0|1,0,1]=4 936 B7R0.1 CCCCNCCN N159361 [1,1,0,0,0,0|2,0,0]=4 937 B7R0.1 CCCCNCCO B140397 [1,1,0,0,0,0|2,0,0]=4 938 B7R0.1 CCCCNCCO B299088 [1,1,0,0,0,0|2,0,0]=4 939 B7R0.1 CCCCNCCS B469395 [1,1,0,0,0,0|2,0,0]=4 940 B7R0.1 CCCCOCCCl B152831 [1,1,0,0,0,0|1,0,1]=4 941 B7R0.1 CCCCOCCN B357161 [1,1,0,0,0,0|1,0,1]=4 942 B7R0.1 CCCCOCCO E110823 [1,1,0,0,0,0|1,0,1]=4 943 B7R0.1 CCCCOCCO E110827 [1,1,0,0,0,0|1,0,1]=4 944 B7R0.1 CCCNCCCN I168897 [1,1,0,0,0,0|1,0,1]=4 945 B7R0.1 CCCNCCOC N158962 [1,1,0,0,0,0|1,0,1]=4 946 B7R0.1 CCCSSCCC D102910 [1,1,0,0,0,0|0,1,1]=4 947 B7R0.1 CCNCCNCC N159359 [1,1,0,0,0,0|2,0,0]=4 948 B7R0.1 CCOCCOCC E103986 [1,1,0,0,0,0|2,0,0]=4 949 B7R0.1 CCOCCOCC E103987 [1,1,0,0,0,0|2,0,0]=4 950 B7R0.1 CCOCCOCC E103989 [1,1,0,0,0,0|2,0,0]=4 951 B7R0.1 COCCOCCBr B152835 [1,1,0,0,0,0|1,0,1]=4 952 B7R0.1 COCCOCCI I586239 [1,1,0,0,0,0|1,0,1]=4 953 B7R0.1 COCCOCCN M122033 [1,1,0,0,0,0|1,0,1]=4 954 B7R0.1 COCCOCCO D104406 [1,1,0,0,0,0|1,0,1]=4 955 B7R0.1 COCCOCCO D104407 [1,1,0,0,0,0|1,0,1]=4 956 B7R0.1 COCCOCCO D104408 [1,1,0,0,0,0|1,0,1]=4 957 B9R0.4 CC(=O)CC(=O)OCC=C A111254 [0,2,0,0,0,0|0,0,2]=4 958 B9R0.4 CC(=O)CC(=O)OCC=C A298696 [0,2,0,0,0,0|0,0,2]=4 959 B9R0.4 CCCOC(=O)CC(=O)C P160059 [0,2,0,0,0,0|0,0,0]=2 960 B9R0.4 CCCOC(=O)CC(C)C D303979 [0,2,0,0,0,0|0,0,0]=2 961 B9R0.5 CCC=CCC(=O)OCC E117700 [0,2,0,0,0,0|1,0,1]=4 962 B9R0.5 CCCC=CC(=O)OCC E117526 [0,2,0,0,0,0|1,0,0]=3 963 B9R0.5 CCCCCC(=O)CCC N158991 [0,2,0,0,0,0|1,0,0]=3 964 B9R0.5 CCCCCC(=O)OCC E103497 [0,2,0,0,0,0|1,0,0]=3 965 B9R0.5 CCCCCC(=O)OCC E103498 [0,2,0,0,0,0|1,0,0]=3 966 B9R0.5 CCCCCC(=O)OCC E103499 [0,2,0,0,0,0|1,0,0]=3 967 B9R0.5 CCCCOC(=O)C=CC B152883 [0,2,0,0,0,0|0,0,1]=3 968 B9R0.5 CCCCOC(=O)C=CC B293404 [0,2,0,0,0,0|0,0,1]=3 969 B9R0.5 CCCCOC(=O)CC#N B133488 [0,2,0,0,0,0|0,0,1]=3 970 B9R0.5 CCCCOC(=O)CCC B103463 [0,2,0,0,0,0|0,0,0]=2 971 B9R0.5 CCCCOC(=O)CCC B103464 [0,2,0,0,0,0|0,0,0]=2 972 B9R0.5 CCCCOC(=O)CCS B340486 [0,2,0,0,0,0|0,0,0]=2 973 B9R0.5 CCOC(=O)CCCCBr E156150 [0,2,0,0,0,0|1,0,0]=3 974 B9R0.5 CCOC(=O)CCCCN E183506 [0,2,0,0,0,0|1,0,0]=3 975 B9R0.5 CCOC(=O)COCCCl E305168 [0,2,0,0,0,0|1,0,0]=3 976 B9R0.5 CCOC=CC(=O)OCC E110293 [0,2,0,0,0,0|1,0,1]=4 977 B9R0.5 CCOC=CC(=O)OCC E299465 [0,2,0,0,0,0|1,0,1]=4 978 B9R0.5 CCOC=CC(=O)OCC E589599 [0,2,0,0,0,0|1,0,1]=4 979 B9R0.5 CCOCCC(=O)OCC E108066 [0,2,0,0,0,0|1,0,0]=3 980 B9R0.8 CCCCC(C(=O)OC)Br M111380 [0,2,0,0,0,0|2,0,0]=4 981 B9R0.8 CCCCC(C(=O)OC)N D134849 [0,2,0,0,0,0|2,0,0]=4 982 B9R0.8 CCCOC(=O)C(C)CC P160535 [0,2,0,0,0,0|0,0,0]=2 983 B9R0.8 COC(=O)C(CCCBr)Br M184869 [0,2,0,0,0,0|2,0,0]=4 984 B9R0.8 COC(=O)C(CCCN)N O116997 [0,2,0,0,0,0|2,0,0]=4 985 B9R0.8 COC(=O)C(CCSC)N M109222 [0,2,0,0,0,0|2,0,0]=4 986 B9R0.8 COC(=O)C(CCSC)N M587493 [0,2,0,0,0,0|2,0,0]=4 987 B9R0.18 C(CC(=O)CCCCl)CCl D193277 [0,2,0,0,0,0|2,0,0]=4 988 B9R0.18 CCCCC(=O)CCCC N102321 [0,2,0,0,0,0|1,0,0]=3 989 B9R0.18 CCCCS(=O)CCCC D155298 [0,2,0,0,0,0|2,0,0]=4 990 B9R0.18 CCCC[Sn](=O)CCCC D112984 [0,2,0,0,0,0|2,0,0]=4 991 B9R0.18 CCCOC(=O)OCCC D107452 [0,2,0,0,0,0|0,0,0]=2 992 B9R0.34 CCC(=O)CC(=O)OCC E122416 [0,2,0,0,0,0|1,0,1]=4 993 B9R0.34 CCC(C)CC(=O)OCC E117866 [0,2,0,0,0,0|1,0,0]=3 994 B9R0.34 CCC(C)OC(=O)C=CC S161086 [0,2,0,0,0,0|0,0,1]=3 995 B9R0.34 CCCC(=O)CC(=O)OC M158148 [0,2,0,0,0,0|2,0,0]=4 996 B9R0.34 CCCC(=O)OC(C)CC S161087 [0,2,0,0,0,0|0,0,0]=2 997 B9R0.34 CCOC(=O)CC(CCl)O C108078 [0,2,0,0,0,0|2,0,0]=4 998 B9R0.34 CCOC(=O)CC(CCl)O C108079 [0,2,0,0,0,0|2,0,0]=4 999 B9R0.35 CCCC(C(=O)CCC)O H101582 [0,2,0,0,0,0|1,0,0]=3 1000 B9R0.35 CCCC(C(=O)OCC)Br E139089 [0,2,0,0,0,0|1,0,0]=3 1001 B9R0.35 CCCC(C(=O)OCC)N L135831 [0,2,0,0,0,0|1,0,0]=3 1002 B9R0.35 CCCC(C)C(=O)OCC E110162 [0,2,0,0,0,0|1,0,0]=3 1003 B9R0.35 CCOC(=N)C(=O)OCC E195169 [0,2,0,0,0,0|2,0,0]=4 1004 B9R0.35 CCOC(=O)C(=O)OCC D110943 [0,2,0,0,0,0|2,0,0]=4 1005 B9R0.35 CCOC(=O)C(=O)OCC D110944 [0,2,0,0,0,0|2,0,0]=4 1006 B9R0.35 CCOC(=O)C(=O)OCC D489097 [0,2,0,0,0,0|2,0,0]=4 1007 B9R0.48 CC(C)COC(=O)CC#N I157668 [0,2,0,0,0,0|0,0,1]=3 1008 B9R0.48 CC=CC(=O)OCC(C)C I157503 [0,2,0,0,0,0|0,0,1]=3 1009 B9R0.48 CCCC(=O)OCC(C)C I157497 [0,2,0,0,0,0|0,0,0]=2 1010 B9R0.48 CCOC(=O)CCC(=O)C E117674 [0,2,0,0,0,0|1,0,1]=4 1011 B9R0.48 CCOC(=O)CCC(C)C E169064 [0,2,0,0,0,0|1,0,0]=3 1012 B9R0.6 CCOC(=O)C(=O)C(C)Br B194008 [0,2,0,0,0,0|2,0,0]=4 1013 B9R0.6 CCOC(=O)C(=O)C(C)C E302716 [0,2,0,0,0,0|2,0,0]=4 1014 B9R0.23 CC(C)CC(C(=O)OC)N L109004 [0,2,0,0,0,0|2,0,0]=4 1015 B9R0.23 CC(C)CC(C(=O)OC)N L113357 [0,2,0,0,0,0|2,0,0]=4 1016 B9R0.27 CCC(C)C(C(=O)OC)N I109005 [0,2,0,0,0,0|2,0,0]=4 1017 B9R0.27 CCC(C)C(C(=O)OC)N M169087 [0,2,0,0,0,0|2,0,0]=4 1018 B9R0.1 CC(=O)CCCC(=O)OC M299485 [0,2,0,0,0,0|2,0,0]=4 1019 B9R0.1 CC(C)CCOC(=O)C=C I157701 [0,2,0,0,0,0|0,0,2]=4 1020 B9R0.1 CCC(=O)OCCC(C)C I101112 [0,2,0,0,0,0|0,0,0]=2 1021 B9R0.1 CCC(C)OCCC(=O)C S161386 [0,2,0,0,0,0|1,0,1]=4 1022 B9R0.1 CN(C)CCOC(=O)C=C D102735 [0,2,0,0,0,0|0,0,2]=4 1023 B9R0.24 C=CC(=O)OCC(CBr)Br D154307 [0,2,0,0,0,0|0,0,2]=4 1024 B9R0.46 C=CC(=O)OCCCCO H156908 [0,2,0,0,0,0|0,0,2]=4 1025 B9R0.46 CCCCCCC(=O)CC N158994 [0,2,0,0,0,0|1,0,0]=3 1026 B9R0.46 CCCCCCC(=O)OC M158054 [0,2,0,0,0,0|2,0,0]=4 1027 B9R0.46 CCCCCCC(=O)OC M158149 [0,2,0,0,0,0|2,0,0]=4 1028 B9R0.46 CCCCCOC(=O)C=C P588632 [0,2,0,0,0,0|0,0,2]=4 1029 B9R0.46 CCCCCOC(=O)CC P137733 [0,2,0,0,0,0|0,0,0]=2 1030 B9R0.46 CCOCCOC(=O)C=C E586300 [0,2,0,0,0,0|0,0,2]=4 1031 B9R0.46 COC(=O)CCCCCN M138421 [0,2,0,0,0,0|2,0,0]=4 1032 B9R0.47 CC(=C)C(=O)NCCCN N129096 [0,2,0,0,0,0|1,0,1]=4 1033 B9R0.47 CC(=C)C(=O)OCCOC E102359 [0,2,0,0,0,0|0,0,1]=3 1034 B9R0.47 CC(=C)C(=O)OCCOC P109711 [0,2,0,0,0,0|0,0,1]=3 1035 B9R0.47 CC(=C)C(=O)OCCOC P432527 [0,2,0,0,0,0|0,0,1]=3 1036 B9R0.47 CC(=C)C(=O)OCCOC P432529 [0,2,0,0,0,0|0,0,1]=3 1037 B9R0.47 CC(=C)C(=O)OCCOC P432531 [0,2,0,0,0,0|0,0,1]=3 1038 B9R0.47 CC(=C)C(=O)OCCSC M468079 [0,2,0,0,0,0|0,0,1]=3 1039 B9R0.47 CCCCCC(=O)C(=O)C O589566 [0,2,0,0,0,0|1,0,1]=4 1040 B9R0.47 CCCCOC(=O)C(=C)C B110902 [0,2,0,0,0,0|0,0,1]=3 1041 B9R0.47 CCCCOC(=O)C(=C)C B110903 [0,2,0,0,0,0|0,0,1]=3 1042 B9R0.47 CCCCOC(=O)C(=C)C B110904 [0,2,0,0,0,0|0,0,1]=3 1043 B9R0.47 CCCCOC(=O)C(C)C B152857 [0,2,0,0,0,0|0,0,0]=2 1044 B9R0.47 CCCCOC(=O)C(C)O B111190 [0,2,0,0,0,0|0,0,0]=2 1045 B9R0.47 CCCCOC(=O)C(C)O B303494 [0,2,0,0,0,0|0,0,0]=2 1046 B9R0.50 CCCCOC(CC)CO P117874 [0,2,0,0,0,0|0,0,2]=4 1047 B9R0.50 CCCCOC(CC)CO P118599 [0,2,0,0,0,0|0,0,2]=4 1048 B9R0.50 CCCCOC(CC)CO P141386 [0,2,0,0,0,0|0,0,2]=4 1049 B9R0.50 CCCCOC(CC)CO P432410 [0,2,0,0,0,0|0,0,2]=4 1050 B9R0.3 CC(C)(C(=O)OCCO)Br H404582 [0,2,0,0,0,0|1,0,0]=3 1051 B9R0.7 CC(C)COC(=O)C(=C)C I106679 [0,2,0,0,0,0|0,0,1]=3 1052 B9R0.7 CC(C)COC(=O)C(=C)C I304907 [0,2,0,0,0,0|0,0,1]=3 1053 B9R0.7 CC(C)COC(=O)C(=C)C I401365 [0,2,0,0,0,0|0,0,1]=3 1054 B9R0.7 CC(C)COC(=O)C(C)C I105925 [0,2,0,0,0,0|0,0,0]=2 1055 B9R0.7 CC(C)COC(=O)C(C)O I469449 [0,2,0,0,0,0|0,0,0]=2 1056 B9R0.7 CC(CNC(=O)C(=C)C)O N404588 [0,2,0,0,0,0|1,0,1]=4 1057 B9R0.7 CC(COC(=O)C(=C)C)O H109880 [0,2,0,0,0,0|0,0,1]=3 1058 B9R0.13 CCCCC(CC)C(=O)Cl E139249 [0,2,0,0,0,0|1,0,1]=4 1059 B9R0.13 CCCCC(CC)C(=O)O E103541 [0,2,0,0,0,0|1,0,1]=4 1060 B9R0.13 CCCCC(CC)C(=O)O E103542 [0,2,0,0,0,0|1,0,1]=4 1061 B9R0.13 CCCCC(CC)C(=O)O E103543 [0,2,0,0,0,0|1,0,1]=4 1062 B9R0.13 CCCCC(CC)C(=O)O M282652 [0,2,0,0,0,0|1,0,1]=4 1063 B9R0.13 CCCCC(CC)C(=O)[O-] B133552 [0,2,0,0,0,0|1,0,1]=4 1064 B9R0.13 CCCCC(CC)C(=O)[O-] C189027 [0,2,0,0,0,0|1,0,1]=4 1065 B9R0.13 CCCCC(CC)C(=O)[O-] C282475 [0,2,0,0,0,0|1,0,1]=4 1066 B9R0.13 CCCCC(CC)C(=O)[O-] C303493 [0,2,0,0,0,0|1,0,1]=4 1067 B9R0.13 CCCCC(CC)C(=O)[O-] C304535 [0,2,0,0,0,0|1,0,1]=4 1068 B9R0.13 CCCCC(CC)C(=O)[O-] C419796 [0,2,0,0,0,0|1,0,1]=4 1069 B9R0.13 CCCCC(CC)C(=O)[O-] C472850 [0,2,0,0,0,0|1,0,1]=4 1070 B9R0.13 CCCCC(CC)C(=O)[O-] I304503 [0,2,0,0,0,0|1,0,1]=4 1071 B9R0.13 CCCCC(CC)C(=O)[O-] L283256 [0,2,0,0,0,0|1,0,1]=4 1072 B9R0.13 CCCCC(CC)C(=O)[O-] L283537 [0,2,0,0,0,0|1,0,1]=4 1073 B9R0.13 CCCCC(CC)C(=O)[O-] M283339 [0,2,0,0,0,0|1,0,1]=4 1074 B9R0.13 CCCCC(CC)C(=O)[O-] N283360 [0,2,0,0,0,0|1,0,1]=4 1075 B9R0.13 CCCCC(CC)C(=O)[O-] P160178 [0,2,0,0,0,0|1,0,1]=4 1076 B9R0.13 CCCCC(CC)C(=O)[O-] S133057 [0,2,0,0,0,0|1,0,1]=4 1077 B9R0.13 CCCCC(CC)C(=O)[O-] S282573 [0,2,0,0,0,0|1,0,1]=4 1078 B9R0.13 CCCCC(CC)C(=O)[O-] T100108 [0,2,0,0,0,0|1,0,1]=4 1079 B9R0.13 CCCCC(CC)C(=O)[O-] T333163 [0,2,0,0,0,0|1,0,1]=4 1080 B9R0.13 CCCCC(CC)C(=O)[O-] Z282550 [0,2,0,0,0,0|1,0,1]=4 1081 B9R0.13 CCCCC(CC)C(=O)[O-] Z283372 [0,2,0,0,0,0|1,0,1]=4 1082 B9R0.21 COC(=O)OCC(F)(F)F C303005 [0,2,0,0,0,0|2,0,0]=4 1083 B7R1.1 CCC1=NCCN1 E156339 [1,0,0,1,0,0|2,0,0]=4 1084 B7R1.1 CCC1=NCCO1 E137961 [1,0,0,1,0,0|1,0,0]=3 1085 B7R1.1 CCC1=NCCO1 P303248 [1,0,0,1,0,0|1,0,0]=3 1086 B7R1.1 CCC1=NCCO1 P432473 [1,0,0,1,0,0|1,0,0]=3 1087 B7R1.1 CCC1=NCCO1 P432474 [1,0,0,1,0,0|1,0,0]=3 1088 B7R1.1 CCC1CCCC1 E156243 [1,0,0,1,0,0|1,0,1]=4 1089 B7R1.1 CCN1CCCC1 E156259 [1,0,0,1,0,0|2,0,0]=4 1090 B7R1.2 C1C(CNC1=O)N A587603 [1,0,0,1,0,0|2,0,0]=4 1091 B7R1.2 C1C(CNC1=O)O H119311 [1,0,0,1,0,0|2,0,0]=4 1092 B7R1.2 C1C(CNC1=O)O H119312 [1,0,0,1,0,0|2,0,0]=4 1093 B7R1.2 C1C(CNC1=O)O H183207 [1,0,0,1,0,0|2,0,0]=4 1094 B7R1.2 C1C(COC1=O)N R189910 [1,0,0,1,0,0|2,0,0]=4 1095 B7R1.2 C1C(COC1=O)N S189909 [1,0,0,1,0,0|2,0,0]=4 1096 B7R1.2 C1C(COC1=O)O H107941 [1,0,0,1,0,0|2,0,0]=4 1097 B7R1.2 C1C(OC(=O)O1)Cl C154009 [1,0,0,1,0,0|2,0,0]=4 1098 B7R1.2 C1C(OC(=O)O1)Cl C298772 [1,0,0,1,0,0|2,0,0]=4 1099 B7R1.2 C1C(OC(=O)O1)F F120339 [1,0,0,1,0,0|2,0,0]=4 1100 B7R1.2 C1CC(=O)CC1=O C138777 [1,0,0,1,0,0|1,0,1]=4 1101 B7R1.2 C1CC(=O)OC1=O S104823 [1,0,0,1,0,0|1,0,1]=4 1102 B7R1.2 C1CC(=O)OC1=O S104824 [1,0,0,1,0,0|1,0,1]=4 1103 B7R1.2 CC1=CC(=O)CC1 M109537 [1,0,0,1,0,0|0,0,2]=4 1104 B7R1.2 CC1=CCC(=O)O1 A151155 [1,0,0,1,0,0|0,0,2]=4 1105 B7R1.2 CC1=CCC(=O)O1 A433012 [1,0,0,1,0,0|0,0,2]=4 1106 B7R1.2 CC1CCC(=O)C1 M113659 [1,0,0,1,0,0|0,0,0]=2 1107 B7R1.2 CC1CCC(=O)N1 M158429 [1,0,0,1,0,0|1,0,0]=3 1108 B7R1.2 CC1CCC(=O)O1 V106294 [1,0,0,1,0,0|0,0,0]=2 1109 B7R1.2 CC1CCC(C1)O M351118 [1,0,0,1,0,0|0,0,2]=4 1110 B7R1.2 CC1CCC(O1)C D155243 [1,0,0,1,0,0|1,0,1]=4 1111 B7R1.2 CC1COC(=O)O1 P105723 [1,0,0,1,0,0|1,0,0]=3 1112 B7R1.2 CC1COC(=O)O1 P105724 [1,0,0,1,0,0|1,0,0]=3 1113 B7R1.2 CC1COC(=O)O1 P105725 [1,0,0,1,0,0|1,0,0]=3 1114 B7R1.2 CC1COC(=O)O1 P105726 [1,0,0,1,0,0|1,0,0]=3 1115 B7R1.2 CC1COC(=O)O1 P122960 [1,0,0,1,0,0|1,0,0]=3 1116 B7R1.2 CC1COC(=O)O1 S135940 [1,0,0,1,0,0|1,0,0]=3 1117 B7R1.2 CC1COS(=O)O1 M120340 [1,0,0,1,0,0|2,0,0]=4 1118 B7R1.2 CN1CCC(=O)C1 M343187 [1,0,0,1,0,0|1,0,0]=3 1119 B7R1.3 C1CC(=O)CNC1 P301951 [1,0,0,1,0,0|1,0,0]=3 1120 B7R1.3 C1CC(=O)COC1 O175840 [1,0,0,1,0,0|1,0,0]=3 1121 B7R1.3 C1CCC(=O)CC1 C116449 [1,0,0,1,0,0|0,0,0]=2 1122 B7R1.3 C1CCC(=O)CC1 C116451 [1,0,0,1,0,0|0,0,0]=2 1123 B7R1.3 C1CCC(=O)CC1 C116453 [1,0,0,1,0,0|0,0,0]=2 1124 B7R1.3 C1CCC(=O)CC1 C116454 [1,0,0,1,0,0|0,0,0]=2 1125 B7R1.3 C1CCC(=O)CC1 C295202 [1,0,0,1,0,0|0,0,0]=2 1126 B7R1.3 C1CCC(=O)CC1 C471914 [1,0,0,1,0,0|0,0,0]=2 1127 B7R1.3 C1CCC(=O)CC1 C615386 [1,0,0,1,0,0|0,0,0]=2 1128 B7R1.3 C1CCC(CC1)Br B109675 [1,0,0,1,0,0|1,0,1]=4 1129 B7R1.3 C1CCC(CC1)Cl C106088 [1,0,0,1,0,0|1,0,1]=4 1130 B7R1.3 C1CCC(CC1)F F156720 [1,0,0,1,0,0|1,0,1]=4 1131 B7R1.3 C1CCC(CC1)I I157579 [1,0,0,1,0,0|1,0,1]=4 1132 B7R1.3 C1CCC(CC1)N C103892 [1,0,0,1,0,0|1,0,1]=4 1133 B7R1.3 C1CCC(CC1)N C105033 [1,0,0,1,0,0|1,0,1]=4 1134 B7R1.3 C1CCC(CC1)N C105034 [1,0,0,1,0,0|1,0,1]=4 1135 B7R1.3 C1CCC(CC1)N C105035 [1,0,0,1,0,0|1,0,1]=4 1136 B7R1.3 C1CCC(CC1)N C105036 [1,0,0,1,0,0|1,0,1]=4 1137 B7R1.3 C1CCC(CC1)N C136515 [1,0,0,1,0,0|1,0,1]=4 1138 B7R1.3 C1CCC(CC1)N C405536 [1,0,0,1,0,0|1,0,1]=4 1139 B7R1.3 C1CCC(CC1)N C492170 [1,0,0,1,0,0|1,0,1]=4 1140 B7R1.3 C1CCC(CC1)N C492176 [1,0,0,1,0,0|1,0,1]=4 1141 B7R1.3 C1CCC(CC1)O C110399 [1,0,0,1,0,0|0,0,2]=4 1142 B7R1.3 C1CCC(CC1)O C110400 [1,0,0,1,0,0|0,0,2]=4 1143 B7R1.3 C1CCC(CC1)O C110401 [1,0,0,1,0,0|0,0,2]=4 1144 B7R1.3 C1CCC(CC1)O C121272 [1,0,0,1,0,0|0,0,2]=4 1145 B7R1.3 C1CCC(CC1)S C107602 [1,0,0,1,0,0|0,1,1]=4 1146 B7R1.3 C1CCC(CC1)[NH3+] C494008 [1,0,0,1,0,0|1,0,1]=4 1147 B7R1.3 C1CCN(CC1)N A103012 [1,0,0,1,0,0|2,0,0]=4 1148 B7R1.3 C1CCN(CC1)N A113934 [1,0,0,1,0,0|2,0,0]=4 1149 B7R1.3 C1CCNC(=O)C1 P160613 [1,0,0,1,0,0|1,0,0]=3 1150 B7R1.3 C1CCOC(=O)C1 V100560 [1,0,0,1,0,0|0,0,0]=2 1151 B7R1.3 C1CNC(=O)CN1 P135012 [1,0,0,1,0,0|2,0,0]=4 1152 B7R1.3 C1CNC(=O)NC1 T162348 [1,0,0,1,0,0|2,0,0]=4 1153 B7R1.3 C1CNC(=O)OC1 O170792 [1,0,0,1,0,0|1,0,0]=3 1154 B7R1.3 C1COC(=O)C=C1 D155403 [1,0,0,1,0,0|0,0,2]=4 1155 B7R1.3 C1COC(=O)CO1 D122246 [1,0,0,1,0,0|1,0,0]=3 1156 B7R1.3 C1COC(=O)OC1 D155394 [1,0,0,1,0,0|1,0,0]=3 1157 B7R1.3 C1COCC(=O)N1 M157861 [1,0,0,1,0,0|2,0,0]=4 1158 B7R1.3 C1COCCC1=O T107483 [1,0,0,1,0,0|1,0,0]=3 1159 B7R1.3 C1COS(=O)OC1 D137600 [1,0,0,1,0,0|2,0,0]=4 1160 B7R1.3 C1CSCCC1=O T121984 [1,0,0,1,0,0|1,0,0]=3 1161 B7R1.3 C=C1CCCCC1 M158229 [1,0,0,1,0,0|1,0,0]=3 1162 B7R1.3 CC1=CCCCC1 M158209 [1,0,0,1,0,0|1,0,1]=4 1163 B7R1.3 CC1CCCCC1 M103329 [1,0,0,1,0,0|1,0,1]=4 1164 B7R1.3 CC1CCCCC1 M103330 [1,0,0,1,0,0|1,0,1]=4 1165 B7R1.3 CC1CCCCC1 M103331 [1,0,0,1,0,0|1,0,1]=4 1166 B7R1.3 CC1CCCCC1 M118385 [1,0,0,1,0,0|1,0,1]=4 1167 B7R1.3 CC1CCCCC1 M119670 [1,0,0,1,0,0|1,0,1]=4 1168 B7R1.3 CN1CCCCC1 M106736 [1,0,0,1,0,0|2,0,0]=4 1169 B7R1.3 C[Si]1CCCCO1 P107083 [1,0,0,1,0,0|1,1,0]=4 1170 B7R1.3 [CH2-]C1CCCCC1 C140721 [1,0,0,1,0,0|1,0,1]=4 1171 B7R1.4 C1CC(C(=O)C1)Cl C103555 [1,0,0,1,0,0|1,0,0]=3 1172 B7R1.4 C1CC(C(=O)C1)Cl C598656 [1,0,0,1,0,0|1,0,0]=3 1173 B7R1.4 C1CNC(=O)C1O H486731 [1,0,0,1,0,0|2,0,0]=4 1174 B7R1.4 C1COC(=O)C1Br B107924 [1,0,0,1,0,0|1,0,0]=3 1175 B7R1.4 C1COC(=O)C1N A101211 [1,0,0,1,0,0|1,0,0]=3 1176 B7R1.4 C1COC(=O)C1N I167498 [1,0,0,1,0,0|1,0,0]=3 1177 B7R1.4 C1COC(=O)C1N R137962 [1,0,0,1,0,0|1,0,0]=3 1178 B7R1.4 C1COC(=O)C1O H113417 [1,0,0,1,0,0|1,0,0]=3 1179 B7R1.4 C1COC(=O)C1O R591020 [1,0,0,1,0,0|1,0,0]=3 1180 B7R1.4 C1COC(=O)C1O S161076 [1,0,0,1,0,0|1,0,0]=3 1181 B7R1.4 C1COC(=O)N1N A114272 [1,0,0,1,0,0|2,0,0]=4 1182 B7R1.4 C1CSC(=O)C1N H108030 [1,0,0,1,0,0|1,1,0]=4 1183 B7R1.4 C1CSC(=O)C1N S169532 [1,0,0,1,0,0|1,1,0]=4 1184 B7R1.4 C=C1CCOC1=O M108009 [1,0,0,1,0,0|0,0,2]=4 1185 B7R1.4 CC1=CCCC1=O M165952 [1,0,0,1,0,0|0,0,2]=4 1186 B7R1.4 CC1=CCOC1=O M158201 [1,0,0,1,0,0|0,0,2]=4 1187 B7R1.4 CC1C(=O)CCO1 M102944 [1,0,0,1,0,0|1,0,0]=3 1188 B7R1.4 CC1C(=O)CCS1 M102985 [1,0,0,1,0,0|1,0,0]=3 1189 B7R1.4 CC1CCCC1=O M138029 [1,0,0,1,0,0|0,0,0]=2 1190 B7R1.4 CC1CCCC1O B300625 [1,0,0,1,0,0|0,0,2]=4 1191 B7R1.4 CC1CCOC1=O A151225 [1,0,0,1,0,0|0,0,0]=2 1192 B7R1.4 CN1CCCC1=O M100588 [1,0,0,1,0,0|1,0,0]=3 1193 B7R1.4 CN1CCCC1=O M100589 [1,0,0,1,0,0|1,0,0]=3 1194 B7R1.4 CN1CCCC1=O M100590 [1,0,0,1,0,0|1,0,0]=3 1195 B7R1.4 CN1CCCC1=O M103246 [1,0,0,1,0,0|1,0,0]=3 1196 B7R1.4 CN1CCCC1=O M103247 [1,0,0,1,0,0|1,0,0]=3 1197 B7R1.4 CN1CCCC1=O M103248 [1,0,0,1,0,0|1,0,0]=3 1198 B7R1.4 CN1CCCC1=O M103250 [1,0,0,1,0,0|1,0,0]=3 1199 B7R1.4 CN1CCCC1=O M119668 [1,0,0,1,0,0|1,0,0]=3 1200 B7R1.4 CN1CCCC1=O M434296 [1,0,0,1,0,0|1,0,0]=3 1201 B7R1.4 CN1CCCC1=S M140448 [1,0,0,1,0,0|1,1,0]=4 1202 B7R1.4 CN1CCNC1=O M304416 [1,0,0,1,0,0|2,0,0]=4 1203 B7R1.4 CN1CCOC1=O M132701 [1,0,0,1,0,0|1,0,0]=3 1204 B7R1.22 C1CC1C(=O)CBr B186063 [1,0,0,1,0,0|1,0,0]=3 1205 B7R1.22 C1CC1C(=O)NN C177206 [1,0,0,1,0,0|2,0,0]=4 1206 B7R1.22 COC(=O)C1CC1 M108025 [1,0,0,1,0,0|1,0,0]=3 1207 B7R1.22 COC(=O)C1CN1 M111108 [1,0,0,1,0,0|2,0,0]=4 1208 B7R1.22 COC(=O)C1CO1 G303748 [1,0,0,1,0,0|2,0,0]=4 1209 B7R1.22 COC(=O)C1CO1 M344543 [1,0,0,1,0,0|2,0,0]=4 1210 B7R1.22 COC(=O)C1CO1 S179901 [1,0,0,1,0,0|2,0,0]=4 1211 B7R1.12 CC1CC1C(=O)O M169350 [1,0,0,1,0,0|2,0,0]=4 1212 B7R1.14 C1COS(=O)(=O)C1 P105652 [1,0,0,1,0,0|2,0,0]=4 1213 B7R1.18 C1CC(C1)C(=O)Cl C170618 [1,0,0,1,0,0|2,0,0]=4 1214 B7R1.18 C1CC(C1)C(=O)O C120879 [1,0,0,1,0,0|2,0,0]=4 1215 B7R1.18 CC(=O)C1CCC1 A151658 [1,0,0,1,0,0|1,0,0]=3 1216 B7R1.20 C1CC1CC(=O)O C134997 [1,0,0,1,0,0|2,0,0]=4 1217 B7R1.24 C1CCC=CCC1 C153473 [1,0,0,1,0,0|1,0,0]=3 1218 B7R1.24 C1CCCCCC1 C110929 [1,0,0,1,0,0|1,0,1]=4 1219 B7R1.24 C1CCCNCC1 H157403 [1,0,0,1,0,0|1,0,1]=4 1220 B7R1.24 C1CCCOCC1 H157291 [1,0,0,1,0,0|0,0,1]=3 1221 B7R1.24 C1CNCCOC1 O587706 [1,0,0,1,0,0|1,0,1]=4 1222 B9R1.7 CCCC1CCC(=O)O1 H111340 [0,1,0,1,0,0|0,0,0]=2 1223 B9R1.7 CCOC1=CC(=O)CC1 E344140 [0,1,0,1,0,0|1,0,1]=4 1224 B9R1.8 C1CCC(=CC1)CCN C153571 [0,1,0,1,0,0|2,0,0]=4 1225 B9R1.8 C1COC(OC1)CCBr B113749 [0,1,0,1,0,0|0,0,2]=4 1226 B9R1.15 C1CCC(=O)C(C1)C#N O589158 [0,1,0,1,0,0|1,0,1]=4 1227 B9R1.15 COC1CCCCC1=O M158813 [0,1,0,1,0,0|1,0,0]=3 1228 B9R1.27 CCC1=C(CNC1=O)C E135294 [0,1,0,1,0,0|1,0,1]=4 1229 B9R1.33 C1CC(=O)N(C1)CCO H124555 [0,1,0,1,0,0|2,0,0]=4 1230 B9R1.33 C1CC(=O)N(C1)CCO H299071 [0,1,0,1,0,0|2,0,0]=4 1231 B9R1.33 C1CN(C(=O)N1)CCN A185652 [0,1,0,1,0,0|2,0,0]=4 1232 B9R1.48 C1CCC(=O)CC(=O)C1 W134267 [0,1,0,1,0,0|1,0,1]=4 1233 B9R1.48 C1CCC(=O)OC(=O)C1 O588008 [0,1,0,1,0,0|0,0,1]=3 1234 B9R1.49 CN1CCCC(=O)CC1 M587966 [0,1,0,1,0,0|1,0,0]=3 1235 B9R1.50 C1CCCC(=O)CCC1 C106984 [0,1,0,1,0,0|1,0,0]=3 1236 B9R1.50 C1CCCNC(=O)CC1 O159930 [0,1,0,1,0,0|1,0,0]=3 1237 B9R1.69 CC1CCC(=O)CC1C D154364 [0,1,0,1,0,0|1,0,0]=3 1238 B9R1.69 CC1CCC(C(=O)C1)C D154367 [0,1,0,1,0,0|1,0,0]=3 1239 B9R1.69 CC1CN(CCC1=O)C D154313 [0,1,0,1,0,0|2,0,0]=4 1240 B9R1.73 CCOC(=O)C1CCC1 E124243 [0,1,0,1,0,0|1,0,0]=3 1241 B9R1.73 CCOC(=O)C1CNC1 E176414 [0,1,0,1,0,0|2,0,0]=4 1242 B9R1.75 CCOC(=O)CC1CC1 E176712 [0,1,0,1,0,0|1,0,0]=3 1243 B9R1.3 CC1C(=O)CCCC1=O M158810 [0,1,0,1,0,0|1,0,1]=4 1244 B9R1.3 CC1CCCC(C1=O)C D154369 [0,1,0,1,0,0|1,0,0]=3 1245 B9R1.3 CN1CCCN(C1=O)C D106284 [0,1,0,1,0,0|2,0,0]=4 1246 B9R1.5 C1CCC(C(=O)CC1)Cl C153943 [0,1,0,1,0,0|1,0,0]=3 1247 B9R1.5 C1CCNC(=O)C(C1)N S135609 [0,1,0,1,0,0|1,0,0]=3 1248 B9R1.5 C1CCNC(=O)C(C1)N S588137 [0,1,0,1,0,0|1,0,0]=3 1249 B9R1.5 CN1CCCCCC1=O N159776 [0,1,0,1,0,0|1,0,0]=3 1250 B9R1.11 C1CCN(C1)C(=O)CBr B405233 [0,1,0,1,0,0|2,0,0]=4 1251 B9R1.11 C1CCN(C1)C(=O)CCl C153598 [0,1,0,1,0,0|2,0,0]=4 1252 B9R1.11 COC(=O)C1=CCCC1 M135404 [0,1,0,1,0,0|2,0,0]=4 1253 B9R1.11 COC(=O)C1CCCC1 M158004 [0,1,0,1,0,0|2,0,0]=4 1254 B9R1.11 COC(=O)C1CCCN1 P107637 [0,1,0,1,0,0|2,0,0]=4 1255 B9R1.11 COC(=O)C1CCCN1 P109007 [0,1,0,1,0,0|2,0,0]=4 1256 B9R1.11 COC(=O)C1CCCO1 M158460 [0,1,0,1,0,0|1,0,0]=3 1257 B9R1.11 COC(=O)C1CCNC1 M172004 [0,1,0,1,0,0|2,0,0]=4 1258 B9R1.11 COC(=O)C1CCNC1 M177835 [0,1,0,1,0,0|2,0,0]=4 1259 B9R1.11 COC(=O)C1CCOC1 M176720 [0,1,0,1,0,0|2,0,0]=4 1260 B9R1.37 CC1CC(=O)C(=O)C1C D102535 [0,1,0,1,0,0|1,0,0]=3 1261 B9R1.82 COC(=O)C1CC(C1)O M176607 [0,1,0,1,0,0|2,0,0]=4 1262 B9R1.82 COC(=O)C1CC(C1)O M176998 [0,1,0,1,0,0|2,0,0]=4 1263 B9R1.82 COC(=O)C1CC(C1)O M176999 [0,1,0,1,0,0|2,0,0]=4 1264 B9R1.132 CCC1=C(C(=O)CC1)O E102537 [0,1,0,1,0,0|1,0,1]=4 1265 B9R1.186 COC(=O)C1(CCC1)N A182810 [0,1,0,1,0,0|2,0,0]=4 1266 B9R1.1 CCC1CCC(=O)CC1 E115523 [0,1,0,1,0,0|1,0,0]=3 1267 B9R1.1 CCN1CCC(=O)CC1 E156493 [0,1,0,1,0,0|1,0,0]=3 1268 B9R1.1 COC1CCC(=O)CC1 M587028 [0,1,0,1,0,0|1,0,0]=3 1269 B9R1.80 C=CC(=O)OCC1CO1 G156838 [0,1,0,1,0,0|0,0,2]=4 1270 B9R1.89 C1CCCC(=NO)CC1 C153672 [0,1,0,1,0,0|1,0,1]=4 1271 B9R1.89 COC1=NCCCCC1 A169044 [0,1,0,1,0,0|1,0,1]=4 1272 B9R1.35 C1CC(=O)OC1C(=O)O O589119 [0,1,0,1,0,0|1,0,1]=4 1273 B9R1.35 C1CC(=O)OC1C(=O)O R160887 [0,1,0,1,0,0|1,0,1]=4 1274 B9R1.35 C1CC(=O)OC1C(=O)O S161230 [0,1,0,1,0,0|1,0,1]=4 1275 B9R1.35 CC(C)C1COC(=O)N1 I107588 [0,1,0,1,0,0|2,0,0]=4 1276 B9R1.35 CC(C)C1COC(=O)N1 I107589 [0,1,0,1,0,0|2,0,0]=4 1277 B9R1.40 CC1(C(=O)NCCN1)C D175799 [0,1,0,1,0,0|2,0,0]=4 1278 B9R1.40 CC1(CCCCC1=O)C D166342 [0,1,0,1,0,0|1,0,0]=3 1279 B9R1.10 C1CC(CCC1=O)(F)F W135372 [0,1,0,1,0,0|2,0,0]=4 1280 B9R1.10 CC1(CCC(=O)C=C1)C D154373 [0,1,0,1,0,0|1,0,1]=4 1281 B9R1.10 CC1(CCC(=O)CC1)C D120758 [0,1,0,1,0,0|1,0,0]=3 1282 B9R1.10 CC1(COS(=O)OC1)C D301920 [0,1,0,1,0,0|2,0,0]=4 1283 B9R1.138 CC1(COC(=O)C1=O)C D166887 [0,1,0,1,0,0|1,0,1]=4 1284 B9R1.138 CC1(COC(=O)C1O)C P122332 [0,1,0,1,0,0|1,0,0]=3 1285 B9R1.138 CC1(COC(=O)C1O)C S138963 [0,1,0,1,0,0|1,0,0]=3 1286 B9R1.138 CC1(COC(=O)C1O)C S161101 [0,1,0,1,0,0|1,0,0]=3 1287 B9R2.39 C1CC2CC1CC2=O N158897 [0,0,0,2,0,0|1,0,0]=3 1288 B9R2.6 CC12CCCCC1O2 M158366 [0,0,0,2,0,0|1,0,1]=4 1289 B9R2.109 C1CC2C(O2)C(=O)C1 O342678 [0,0,0,2,0,0|2,0,0]=4