0 B7R0.3 C(CC(=O)NN)CO B301222 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.3 C(CC(CO)O)CO P160114 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.3 C=CC(=O)NCCO N159040 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.3 C=CC(=O)OCCCl C477272 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.3 C=CC(=O)OCCO H104535 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.3 C=CCOC(=O)CCl A113257 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.3 CC(CCCN)CN M158599 [0,0,0,0,0,0|3,0,1]=4 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|1,0,0]=1 9 B7R0.3 CCCCC(=O)CC H103766 [0,0,0,0,0,0|0,0,0]=0 10 B7R0.3 CCCCC(=O)NN P135113 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.3 CCCCC(=O)OC M108213 [0,0,0,0,0,0|1,0,0]=1 12 B7R0.3 CCCCC(=O)OC M108214 [0,0,0,0,0,0|1,0,0]=1 13 B7R0.3 CCCCC(C#C)O H115791 [0,0,0,0,0,0|0,0,4]=4 14 B7R0.3 CCCCC(C)CC M113650 [0,0,0,0,0,0|1,0,1]=2 15 B7R0.3 CCCCC(C=C)O H589251 [0,0,0,0,0,0|0,0,4]=4 16 B7R0.3 CCCCC(CC)Br B152441 [0,0,0,0,0,0|1,0,1]=2 17 B7R0.3 CCCCC(CC)O H156872 [0,0,0,0,0,0|0,0,2]=2 18 B7R0.3 CCCCC(CO)N R349958 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.3 CCCCC(CO)O H108067 [0,0,0,0,0,0|1,0,2]=3 20 B7R0.3 CCCNC(=O)C=C N404954 [0,0,0,0,0,0|1,0,2]=3 21 B7R0.3 CCCNC(C)CC N158968 [0,0,0,0,0,0|2,0,1]=3 22 B7R0.3 CCCOC(=O)CC P111531 [0,0,0,0,0,0|1,0,0]=1 23 B7R0.3 CCCOC(=O)CC P111532 [0,0,0,0,0,0|1,0,0]=1 24 B7R0.3 CCOCC(CO)O E305267 [0,0,0,0,0,0|2,0,2]=4 25 B7R0.3 COC(=O)C=CCBr M137638 [0,0,0,0,0,0|2,0,2]=4 26 B7R0.3 COC(=O)C=CCBr M158855 [0,0,0,0,0,0|2,0,2]=4 27 B7R0.3 COC(=O)CCC#N M135512 [0,0,0,0,0,0|2,0,1]=3 28 B7R0.3 COC(=O)CCC#N M293045 [0,0,0,0,0,0|2,0,1]=3 29 B7R0.3 COC(=O)CCC=C M338666 [0,0,0,0,0,0|1,0,2]=3 30 B7R0.3 COC(=O)CCCBr M158832 [0,0,0,0,0,0|2,0,0]=2 31 B7R0.3 COC(=O)CCCBr M492178 [0,0,0,0,0,0|2,0,0]=2 32 B7R0.3 COC(=O)CCCCl C108118 [0,0,0,0,0,0|2,0,0]=2 33 B7R0.3 COC(=O)CCCI M167258 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.3 COC(=O)CCCN M124081 [0,0,0,0,0,0|2,0,0]=2 35 B7R0.3 COC(=O)CCSC M302466 [0,0,0,0,0,0|2,0,0]=2 36 B7R0.3 COC(=O)CN=[N+]=[N-] M168057 [0,0,0,0,0,0|4,0,0]=4 37 B7R0.3 COC(=O)OCC=C A136273 [0,0,0,0,0,0|2,0,2]=4 38 B7R0.3 COC=CC(=O)OC M105075 [0,0,0,0,0,0|2,0,2]=4 39 B7R0.3 COC=CC(=O)OC M135197 [0,0,0,0,0,0|2,0,2]=4 40 B7R0.3 COCCC(=O)OC M134953 [0,0,0,0,0,0|2,0,0]=2 41 B7R0.3 COCOC(=C)CCl C153297 [0,0,0,0,0,0|4,0,0]=4 42 B7R0.3 CSCCC(CO)N D339853 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.3 CSCCC(CO)N M117138 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.3 CSCCC(CO)N S167794 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.1 C(C(=O)NCO)Cl C169257 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.1 CC#CC(=O)OC M158860 [1,0,0,0,0,0|1,0,2]=4 47 B6R0.1 CC=CC(=O)OC M109486 [1,0,0,0,0,0|1,0,2]=4 48 B6R0.1 CCC(=O)C=CC E404567 [1,0,0,0,0,0|0,0,2]=3 49 B6R0.1 CCC(=O)C=CC H111425 [1,0,0,0,0,0|0,0,2]=3 50 B6R0.1 CCC(=O)OC=C V162937 [1,0,0,0,0,0|1,0,2]=4 51 B6R0.1 CCC(=O)OCC E103457 [1,0,0,0,0,0|1,0,0]=2 52 B6R0.1 CCC(=O)OCC E103458 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.1 CCC(=O)OCC E103459 [1,0,0,0,0,0|1,0,0]=2 54 B6R0.1 CCC(=O)OCC E103460 [1,0,0,0,0,0|1,0,0]=2 55 B6R0.1 CCC(=O)OCC E278958 [1,0,0,0,0,0|1,0,0]=2 56 B6R0.1 CCC(=O)SCC S133123 [1,0,0,0,0,0|1,0,0]=2 57 B6R0.1 CCC(C)OCC S161060 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.1 CCC(CCN)N D155073 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.1 CCC(COC)N A151357 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.1 CCC(COC)O M158749 [1,0,0,0,0,0|1,0,2]=4 61 B6R0.1 CCCC(=O)CC H106710 [1,0,0,0,0,0|0,0,0]=1 62 B6R0.1 CCCC(=O)NN B183968 [1,0,0,0,0,0|2,0,0]=3 63 B6R0.1 CCCC(=O)OC M100038 [1,0,0,0,0,0|1,0,0]=2 64 B6R0.1 CCCC(=O)OC M100039 [1,0,0,0,0,0|1,0,0]=2 65 B6R0.1 CCCC(=O)OC M100040 [1,0,0,0,0,0|1,0,0]=2 66 B6R0.1 CCCC(=O)SC M102997 [1,0,0,0,0,0|1,0,0]=2 67 B6R0.1 CCCC(C)CC M158521 [1,0,0,0,0,0|1,0,1]=3 68 B6R0.1 CCCC(C)CO M113625 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.1 CCCC(CC)Br B152444 [1,0,0,0,0,0|1,0,1]=3 70 B6R0.1 CCCC(CC)Cl C153662 [1,0,0,0,0,0|1,0,1]=3 71 B6R0.1 CCCC(CC)O H133955 [1,0,0,0,0,0|0,0,2]=3 72 B6R0.1 CCCC(CO)N D333561 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.1 CCCC(CO)N I168777 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.1 CCCC(CO)O P108068 [1,0,0,0,0,0|1,0,2]=4 75 B6R0.1 CCNC(=O)C=C N136947 [1,0,0,0,0,0|1,0,2]=4 76 B6R0.1 CCOC(=O)C#C E107738 [1,0,0,0,0,0|1,0,2]=4 77 B6R0.1 CCOC(=O)C#C E357742 [1,0,0,0,0,0|1,0,2]=4 78 B6R0.1 CCOC(=O)C#N E106582 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.1 CCOC(=O)C#N E298724 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.1 CCOC(=O)C=C E112943 [1,0,0,0,0,0|1,0,2]=4 81 B6R0.1 CCOC(=O)C=C E112944 [1,0,0,0,0,0|1,0,2]=4 82 B6R0.1 CCOC(=O)C=C E112945 [1,0,0,0,0,0|1,0,2]=4 83 B6R0.1 CCOC(=O)C=C E465763 [1,0,0,0,0,0|1,0,2]=4 84 B6R0.1 CCOC(=O)C=O E106246 [1,0,0,0,0,0|2,0,1]=4 85 B6R0.1 CCOC(=O)CBr E106090 [1,0,0,0,0,0|2,0,0]=3 86 B6R0.1 CCOC(=O)CCl E105166 [1,0,0,0,0,0|2,0,0]=3 87 B6R0.1 CCOC(=O)CCl E105167 [1,0,0,0,0,0|2,0,0]=3 88 B6R0.1 CCOC(=O)CF E107563 [1,0,0,0,0,0|2,0,0]=3 89 B6R0.1 CCOC(=O)CN G105477 [1,0,0,0,0,0|2,0,0]=3 90 B6R0.1 CCOC(=O)CO E101730 [1,0,0,0,0,0|2,0,0]=3 91 B6R0.1 CCOC(=O)CS E109439 [1,0,0,0,0,0|2,0,0]=3 92 B6R0.1 CCOC(=O)NN E133700 [1,0,0,0,0,0|3,0,0]=4 93 B6R0.1 CCOC(=O)OC E110111 [1,0,0,0,0,0|2,0,0]=3 94 B6R0.1 CCOC(=O)OC E433135 [1,0,0,0,0,0|2,0,0]=3 95 B6R0.1 CNC(=O)CC#N C185694 [1,0,0,0,0,0|2,0,1]=4 96 B6R0.1 COC(=O)CC#N M110112 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.1 COC(=O)CC=C M341924 [1,0,0,0,0,0|1,0,2]=4 98 B6R0.1 COC(=O)CCBr M158830 [1,0,0,0,0,0|2,0,0]=3 99 B6R0.1 COC(=O)CCN A104532 [1,0,0,0,0,0|2,0,0]=3 100 B6R0.1 COC(=O)CCO D304149 [1,0,0,0,0,0|2,0,0]=3 101 B6R0.1 COC(=O)CCS M107600 [1,0,0,0,0,0|2,0,0]=3 102 B6R0.1 COC(=O)CSC M120419 [1,0,0,0,0,0|2,0,0]=3 103 B6R0.1 COC(=O)C[N+]#[C-] M157837 [1,0,0,0,0,0|2,0,1]=4 104 B6R0.1 COC(=O)OCCl C347908 [1,0,0,0,0,0|3,0,0]=4 105 B6R0.1 COCC(=O)OC M106398 [1,0,0,0,0,0|2,0,0]=3 106 B6R0.4 B(CCCC)(O)O B101013 [1,0,0,0,0,0|2,0,1]=4 107 B6R0.4 C#CCCC(=O)O P133515 [1,0,0,0,0,0|1,0,2]=4 108 B6R0.4 C(CC(=O)Cl)CBr B102197 [1,0,0,0,0,0|2,0,0]=3 109 B6R0.4 C(CC(=O)Cl)CCl C109449 [1,0,0,0,0,0|2,0,0]=3 110 B6R0.4 C(CC(=O)N)CCl C168978 [1,0,0,0,0,0|2,0,0]=3 111 B6R0.4 C(CC(=O)O)C#N C191241 [1,0,0,0,0,0|2,0,1]=4 112 B6R0.4 C(CC(=O)O)CBr B106907 [1,0,0,0,0,0|2,0,0]=3 113 B6R0.4 C(CC(=O)O)CCl C134513 [1,0,0,0,0,0|2,0,0]=3 114 B6R0.4 C(CC(=O)O)CN A104200 [1,0,0,0,0,0|2,0,0]=3 115 B6R0.4 C(CC(=O)O)CN A293557 [1,0,0,0,0,0|2,0,0]=3 116 B6R0.4 C(CC(=O)O)CN A424756 [1,0,0,0,0,0|2,0,0]=3 117 B6R0.4 C(CC(=O)O)CN A468499 [1,0,0,0,0,0|2,0,0]=3 118 B6R0.4 C(CC(=O)O)CN A472038 [1,0,0,0,0,0|2,0,0]=3 119 B6R0.4 C(CC(=O)O)CN G276591 [1,0,0,0,0,0|2,0,0]=3 120 B6R0.4 C(CCl)NC(=O)N C153501 [1,0,0,0,0,0|3,0,0]=4 121 B6R0.4 C(CCl)OC(=O)Cl C136442 [1,0,0,0,0,0|3,0,0]=4 122 B6R0.4 C(CN)C[P+](=O)O A275461 [1,0,0,0,0,0|3,0,0]=4 123 B6R0.4 C(CO)NC(=O)N H136122 [1,0,0,0,0,0|3,0,0]=4 124 B6R0.4 C(C[N+](=O)[O-])CO N164462 [1,0,0,0,0,0|3,0,0]=4 125 B6R0.4 C=CCCC(=O)Cl P278805 [1,0,0,0,0,0|1,0,2]=4 126 B6R0.4 C=CCCC(=O)O P160582 [1,0,0,0,0,0|1,0,2]=4 127 B6R0.4 CC(=CCCBr)C B470663 [1,0,0,0,0,0|2,0,1]=4 128 B6R0.4 CC(=O)C=COC M113467 [1,0,0,0,0,0|1,0,2]=4 129 B6R0.4 CC(=O)C=COC M434875 [1,0,0,0,0,0|1,0,2]=4 130 B6R0.4 CC(=O)CCC=C H113634 [1,0,0,0,0,0|0,0,2]=3 131 B6R0.4 CC(=O)CCCBr B345087 [1,0,0,0,0,0|1,0,0]=2 132 B6R0.4 CC(=O)CCCCl C108070 [1,0,0,0,0,0|1,0,0]=2 133 B6R0.4 CC(=O)CCSC M135087 [1,0,0,0,0,0|1,0,0]=2 134 B6R0.4 CC(=O)NCC#N I170553 [1,0,0,0,0,0|2,0,1]=4 135 B6R0.4 CC(=O)NCCN A117219 [1,0,0,0,0,0|2,0,0]=3 136 B6R0.4 CC(=O)NCCO A112970 [1,0,0,0,0,0|2,0,0]=3 137 B6R0.4 CC(=O)NCCO A112971 [1,0,0,0,0,0|2,0,0]=3 138 B6R0.4 CC(=O)NCCS N347842 [1,0,0,0,0,0|2,0,0]=3 139 B6R0.4 CC(=O)OCC#C P304196 [1,0,0,0,0,0|1,0,2]=4 140 B6R0.4 CC(=O)OCC=C A107305 [1,0,0,0,0,0|1,0,2]=4 141 B6R0.4 CC(=O)OCCBr B102635 [1,0,0,0,0,0|2,0,0]=3 142 B6R0.4 CC(=O)OCCCl A140396 [1,0,0,0,0,0|2,0,0]=3 143 B6R0.4 CC(=O)OCCN A588049 [1,0,0,0,0,0|2,0,0]=3 144 B6R0.4 CC(=O)OCCO H156959 [1,0,0,0,0,0|2,0,0]=3 145 B6R0.4 CC(=O)SCCN T340735 [1,0,0,0,0,0|2,0,0]=3 146 B6R0.4 CC(C)CCCBr B152440 [1,0,0,0,0,0|2,0,1]=4 147 B6R0.4 CC(C)CCCO I136441 [1,0,0,0,0,0|2,0,1]=4 148 B6R0.4 CC(CCCBr)Br D155307 [1,0,0,0,0,0|2,0,1]=4 149 B6R0.4 CC(CCCO)O P171240 [1,0,0,0,0,0|1,0,2]=4 150 B6R0.4 CC=CCC(=O)O P165142 [1,0,0,0,0,0|1,0,2]=4 151 B6R0.4 CCC#CC(=O)O P137286 [1,0,0,0,0,0|1,0,2]=4 152 B6R0.4 CCC=CC(=O)O T162309 [1,0,0,0,0,0|1,0,2]=4 153 B6R0.4 CCCCC(=N)N D305243 [1,0,0,0,0,0|2,0,0]=3 154 B6R0.4 CCCCC(=O)Br V162931 [1,0,0,0,0,0|1,0,0]=2 155 B6R0.4 CCCCC(=O)C H105743 [1,0,0,0,0,0|0,0,0]=1 156 B6R0.4 CCCCC(=O)C H105744 [1,0,0,0,0,0|0,0,0]=1 157 B6R0.4 CCCCC(=O)C H111491 [1,0,0,0,0,0|0,0,0]=1 158 B6R0.4 CCCCC(=O)C H141140 [1,0,0,0,0,0|0,0,0]=1 159 B6R0.4 CCCCC(=O)Cl V107241 [1,0,0,0,0,0|1,0,0]=2 160 B6R0.4 CCCCC(=O)N V162967 [1,0,0,0,0,0|1,0,0]=2 161 B6R0.4 CCCCC(=O)O V108269 [1,0,0,0,0,0|1,0,0]=2 162 B6R0.4 CCCCC(=O)O V108270 [1,0,0,0,0,0|1,0,0]=2 163 B6R0.4 CCCCC(=O)O V108271 [1,0,0,0,0,0|1,0,0]=2 164 B6R0.4 CCCCC(=O)O V108272 [1,0,0,0,0,0|1,0,0]=2 165 B6R0.4 CCCCC(=O)O V302252 [1,0,0,0,0,0|1,0,0]=2 166 B6R0.4 CCCCC(=O)[O-] S194180 [1,0,0,0,0,0|1,0,0]=2 167 B6R0.4 CCCCC(C)C M158516 [1,0,0,0,0,0|1,0,1]=3 168 B6R0.4 CCCCC(C)Cl C153661 [1,0,0,0,0,0|1,0,1]=3 169 B6R0.4 CCCCC(C)N B301374 [1,0,0,0,0,0|1,0,1]=3 170 B6R0.4 CCCCC(C)O H105565 [1,0,0,0,0,0|0,0,2]=3 171 B6R0.4 CCCCC(C)O I170762 [1,0,0,0,0,0|0,0,2]=3 172 B6R0.4 CCCCC(C)O R588494 [1,0,0,0,0,0|0,0,2]=3 173 B6R0.4 CCCCN(C)C D108036 [1,0,0,0,0,0|2,0,0]=3 174 B6R0.4 CCCC[N+](=O)[O-] N300420 [1,0,0,0,0,0|2,0,0]=3 175 B6R0.4 CCCC[Sn](=O)O M107696 [1,0,0,0,0,0|2,0,0]=3 176 B6R0.4 CCCNC(=O)N P589707 [1,0,0,0,0,0|2,0,0]=3 177 B6R0.4 CCCNC(=S)N P356262 [1,0,0,0,0,0|2,1,0]=4 178 B6R0.4 CCCOC(=O)C P103882 [1,0,0,0,0,0|1,0,0]=2 179 B6R0.4 CCCOC(=O)C P103883 [1,0,0,0,0,0|1,0,0]=2 180 B6R0.4 CCCOC(=O)N P194271 [1,0,0,0,0,0|2,0,0]=3 181 B6R0.4 CCCSC(=O)C S161333 [1,0,0,0,0,0|1,0,0]=2 182 B6R0.4 CCCSC(C)C I157608 [1,0,0,0,0,0|2,0,1]=4 183 B6R0.4 CCNCC(=O)O N159193 [1,0,0,0,0,0|2,0,0]=3 184 B6R0.4 CCOCC(=O)Cl E293992 [1,0,0,0,0,0|2,0,0]=3 185 B6R0.4 CCOCC(=O)O E156174 [1,0,0,0,0,0|2,0,0]=3 186 B6R0.4 CCOCC(C)O E110143 [1,0,0,0,0,0|1,0,2]=4 187 B6R0.4 CCSCC(=O)O E300419 [1,0,0,0,0,0|2,0,0]=3 188 B6R0.4 CN(C)CCCBr B194072 [1,0,0,0,0,0|3,0,0]=4 189 B6R0.4 CN(C)CCCCl C353600 [1,0,0,0,0,0|3,0,0]=4 190 B6R0.4 CN(C)CCCCl D154697 [1,0,0,0,0,0|3,0,0]=4 191 B6R0.4 CN(C)CCCN D110909 [1,0,0,0,0,0|3,0,0]=4 192 B6R0.4 CN(C)CCCN N493682 [1,0,0,0,0,0|3,0,0]=4 193 B6R0.4 CN(C)CCCN N494190 [1,0,0,0,0,0|3,0,0]=4 194 B6R0.4 CN(C)CCCO D106344 [1,0,0,0,0,0|3,0,0]=4 195 B6R0.4 CNCCC(=O)O M183299 [1,0,0,0,0,0|2,0,0]=3 196 B6R0.4 CNCCN(C)C N159374 [1,0,0,0,0,0|3,0,0]=4 197 B6R0.4 CNCCN(C)C N192745 [1,0,0,0,0,0|3,0,0]=4 198 B6R0.4 COCCC(=O)O M169065 [1,0,0,0,0,0|2,0,0]=3 199 B6R0.4 CSCCC(=O)Cl M158416 [1,0,0,0,0,0|2,0,0]=3 200 B6R0.4 CSCCC(=O)O M158072 [1,0,0,0,0,0|2,0,0]=3 201 B6R0.6 C(CCBr)CCBr D106538 [1,0,0,0,0,0|2,0,1]=4 202 B6R0.6 C(CCCl)CCBr B109691 [1,0,0,0,0,0|2,0,1]=4 203 B6R0.6 C(CCCl)CCCl D105687 [1,0,0,0,0,0|2,0,1]=4 204 B6R0.6 C(CCF)CCBr B303673 [1,0,0,0,0,0|2,0,1]=4 205 B6R0.6 C(CCI)CCI D155300 [1,0,0,0,0,0|2,0,1]=4 206 B6R0.6 C(CCN)CCN D111805 [1,0,0,0,0,0|2,0,1]=4 207 B6R0.6 C(CCN)CCN D121817 [1,0,0,0,0,0|2,0,1]=4 208 B6R0.6 C(CCN)CCN D283638 [1,0,0,0,0,0|2,0,1]=4 209 B6R0.6 C(CCN)CCN D421724 [1,0,0,0,0,0|2,0,1]=4 210 B6R0.6 C(CCN)CCO A107210 [1,0,0,0,0,0|2,0,1]=4 211 B6R0.6 C(CCN)CCO A565375 [1,0,0,0,0,0|2,0,1]=4 212 B6R0.6 C(CCO)CCBr B135090 [1,0,0,0,0,0|2,0,1]=4 213 B6R0.6 C(CCO)CCCl C153897 [1,0,0,0,0,0|2,0,1]=4 214 B6R0.6 C(CCO)CCO P105588 [1,0,0,0,0,0|2,0,1]=4 215 B6R0.6 C(CCS)CCS P102332 [1,0,0,0,0,0|2,0,1]=4 216 B6R0.6 CC=CCCCO H300983 [1,0,0,0,0,0|1,0,1]=3 217 B6R0.6 CCC#CCCO H157360 [1,0,0,0,0,0|1,0,2]=4 218 B6R0.6 CCC=CCCO C426965 [1,0,0,0,0,0|1,0,1]=3 219 B6R0.6 CCC=CCCO H112690 [1,0,0,0,0,0|1,0,1]=3 220 B6R0.6 CCC=CCCO L106205 [1,0,0,0,0,0|1,0,1]=3 221 B6R0.6 CCCC#CCO H157375 [1,0,0,0,0,0|1,0,2]=4 222 B6R0.6 CCCC=CC=O H107633 [1,0,0,0,0,0|1,0,2]=4 223 B6R0.6 CCCC=CC=O T425385 [1,0,0,0,0,0|1,0,2]=4 224 B6R0.6 CCCC=CCO C153482 [1,0,0,0,0,0|1,0,1]=3 225 B6R0.6 CCCC=CCO H102077 [1,0,0,0,0,0|1,0,1]=3 226 B6R0.6 CCCCCC#C H100842 [1,0,0,0,0,0|0,0,3]=4 227 B6R0.6 CCCCCC#N H157040 [1,0,0,0,0,0|1,0,2]=4 228 B6R0.6 CCCCCC=C H110653 [1,0,0,0,0,0|0,0,3]=4 229 B6R0.6 CCCCCC=C H110654 [1,0,0,0,0,0|0,0,3]=4 230 B6R0.6 CCCCCC=C H110655 [1,0,0,0,0,0|0,0,3]=4 231 B6R0.6 CCCCCC=O C109199 [1,0,0,0,0,0|1,0,2]=4 232 B6R0.6 CCCCCC=O C109200 [1,0,0,0,0,0|1,0,2]=4 233 B6R0.6 CCCCCCBr B105244 [1,0,0,0,0,0|1,0,1]=3 234 B6R0.6 CCCCCCBr B471923 [1,0,0,0,0,0|1,0,1]=3 235 B6R0.6 CCCCCCC H108102 [1,0,0,0,0,0|0,0,1]=2 236 B6R0.6 CCCCCCC H108103 [1,0,0,0,0,0|0,0,1]=2 237 B6R0.6 CCCCCCC H108105 [1,0,0,0,0,0|0,0,1]=2 238 B6R0.6 CCCCCCC H108108 [1,0,0,0,0,0|0,0,1]=2 239 B6R0.6 CCCCCCC H108111 [1,0,0,0,0,0|0,0,1]=2 240 B6R0.6 CCCCCCC H108112 [1,0,0,0,0,0|0,0,1]=2 241 B6R0.6 CCCCCCC H118382 [1,0,0,0,0,0|0,0,1]=2 242 B6R0.6 CCCCCCC H119701 [1,0,0,0,0,0|0,0,1]=2 243 B6R0.6 CCCCCCCl C109280 [1,0,0,0,0,0|1,0,1]=3 244 B6R0.6 CCCCCCCl C109281 [1,0,0,0,0,0|1,0,1]=3 245 B6R0.6 CCCCCCI I157578 [1,0,0,0,0,0|1,0,1]=3 246 B6R0.6 CCCCCCN H105333 [1,0,0,0,0,0|1,0,1]=3 247 B6R0.6 CCCCCCN H157035 [1,0,0,0,0,0|1,0,1]=3 248 B6R0.6 CCCCCCN H292813 [1,0,0,0,0,0|1,0,1]=3 249 B6R0.6 CCCCCCN H491868 [1,0,0,0,0,0|1,0,1]=3 250 B6R0.6 CCCCCCO H103420 [1,0,0,0,0,0|1,0,1]=3 251 B6R0.6 CCCCCCO H103421 [1,0,0,0,0,0|1,0,1]=3 252 B6R0.6 CCCCCCO H103422 [1,0,0,0,0,0|1,0,1]=3 253 B6R0.6 CCCCCCO H103423 [1,0,0,0,0,0|1,0,1]=3 254 B6R0.6 CCCCCCO H119678 [1,0,0,0,0,0|1,0,1]=3 255 B6R0.6 CCCCCCS H100786 [1,0,0,0,0,0|1,0,1]=3 256 B6R0.6 CCCCCCS H299109 [1,0,0,0,0,0|1,0,1]=3 257 B6R0.6 CCCCCC[NH3+] H292817 [1,0,0,0,0,0|1,0,1]=3 258 B6R0.6 CCCCCC[NH3+] H492547 [1,0,0,0,0,0|1,0,1]=3 259 B6R0.6 CCCCCC[Si] H357381 [1,0,0,0,0,0|0,1,1]=3 260 B6R0.6 CCCCCNC M124210 [1,0,0,0,0,0|1,0,1]=3 261 B6R0.6 CCCCCSC A151354 [1,0,0,0,0,0|1,0,1]=3 262 B6R0.6 CCCCN=C=S B111865 [1,0,0,0,0,0|2,0,1]=4 263 B6R0.6 CCCCNCC N158928 [1,0,0,0,0,0|1,0,0]=2 264 B6R0.6 CCCCOC=C B123186 [1,0,0,0,0,0|1,0,2]=4 265 B6R0.6 CCCCOC=C B123187 [1,0,0,0,0,0|1,0,2]=4 266 B6R0.6 CCCCOC=O B109260 [1,0,0,0,0,0|2,0,1]=4 267 B6R0.6 CCCCOC=O B109261 [1,0,0,0,0,0|2,0,1]=4 268 B6R0.6 CCCCON=O B134686 [1,0,0,0,0,0|3,0,0]=4 269 B6R0.6 CCCCSCC B152507 [1,0,0,0,0,0|1,0,0]=2 270 B6R0.6 CCCNCCC D100329 [1,0,0,0,0,0|1,0,1]=3 271 B6R0.6 CCCNCCC D100330 [1,0,0,0,0,0|1,0,1]=3 272 B6R0.6 CCCNCCC D154684 [1,0,0,0,0,0|1,0,1]=3 273 B6R0.6 CCCNCCC D404364 [1,0,0,0,0,0|1,0,1]=3 274 B6R0.6 CCCNCCN N336391 [1,0,0,0,0,0|2,0,1]=4 275 B6R0.6 CCCOCCC P160596 [1,0,0,0,0,0|1,0,1]=3 276 B6R0.6 CCCOCCCl C137234 [1,0,0,0,0,0|2,0,1]=4 277 B6R0.6 CCCOCCN P160362 [1,0,0,0,0,0|2,0,1]=4 278 B6R0.6 CCCOCCO P107659 [1,0,0,0,0,0|2,0,1]=4 279 B6R0.6 CCCOCCO P299319 [1,0,0,0,0,0|2,0,1]=4 280 B6R0.6 CCCSCCC D102909 [1,0,0,0,0,0|1,0,1]=3 281 B6R0.6 CCNCCCO E300231 [1,0,0,0,0,0|2,0,0]=3 282 B6R0.6 CCOCCC#N E132079 [1,0,0,0,0,0|2,0,1]=4 283 B6R0.6 CCOCCCN E156297 [1,0,0,0,0,0|2,0,0]=3 284 B6R0.6 CCOCCCO E108059 [1,0,0,0,0,0|2,0,0]=3 285 B6R0.6 CCOCCOC E331012 [1,0,0,0,0,0|2,0,0]=3 286 B6R0.6 CCOCOCC D109106 [1,0,0,0,0,0|2,0,0]=3 287 B6R0.6 CCOCOCC D139939 [1,0,0,0,0,0|2,0,0]=3 288 B6R0.6 CCO[Sn]OCC T282972 [1,0,0,0,0,0|3,0,0]=4 289 B6R0.6 CCSCCCO E300079 [1,0,0,0,0,0|2,0,0]=3 290 B6R0.6 CCSSSCC D405733 [1,0,0,0,0,0|3,0,0]=4 291 B6R0.6 CNCCCCO M193351 [1,0,0,0,0,0|2,0,1]=4 292 B6R0.6 CNCCCNC D124206 [1,0,0,0,0,0|2,0,1]=4 293 B6R0.6 COCCCCBr B152834 [1,0,0,0,0,0|2,0,1]=4 294 B6R0.6 COCCCCO B152046 [1,0,0,0,0,0|2,0,1]=4 295 B6R0.6 COCCOCCl M113466 [1,0,0,0,0,0|3,0,0]=4 296 B6R0.6 CSCCCCO M468928 [1,0,0,0,0,0|2,0,1]=4 297 B8R0.1 CCC#CC(=O)OCC E189158 [0,1,0,0,0,0|0,0,2]=3 298 B8R0.1 CCCC(=O)OCCC P100043 [0,1,0,0,0,0|1,0,0]=2 299 B8R0.1 CCCC(=O)OCCC P100044 [0,1,0,0,0,0|1,0,0]=2 300 B8R0.1 CCCCC(=O)C=CC O160046 [0,1,0,0,0,0|0,0,1]=2 301 B8R0.1 CCCCC(=O)CCC O160045 [0,1,0,0,0,0|0,0,0]=1 302 B8R0.1 CCCCC(=O)OCC E105293 [0,1,0,0,0,0|0,0,0]=1 303 B8R0.1 CCCCC(=O)OCC E105294 [0,1,0,0,0,0|0,0,0]=1 304 B8R0.1 CCCCC(=O)OCC E118465 [0,1,0,0,0,0|0,0,0]=1 305 B8R0.1 CCCCC(CCC)O O159906 [0,1,0,0,0,0|0,0,2]=3 306 B8R0.1 CCCOC(=O)CC#N P160480 [0,1,0,0,0,0|1,0,1]=3 307 B8R0.1 CCOC(=O)C=CCBr E113754 [0,1,0,0,0,0|1,0,2]=4 308 B8R0.1 CCOC(=O)C=CCBr E589630 [0,1,0,0,0,0|1,0,2]=4 309 B8R0.1 CCOC(=O)CCC=C E156151 [0,1,0,0,0,0|0,0,2]=3 310 B8R0.1 CCOC(=O)CCCBr E106908 [0,1,0,0,0,0|1,0,0]=2 311 B8R0.1 CCOC(=O)CCCBr E639064 [0,1,0,0,0,0|1,0,0]=2 312 B8R0.1 CCOC(=O)CCCCl E135072 [0,1,0,0,0,0|1,0,0]=2 313 B8R0.1 CCOC(=O)CCCCl E493598 [0,1,0,0,0,0|1,0,0]=2 314 B8R0.1 CCOC(=O)CCCN E122453 [0,1,0,0,0,0|1,0,0]=2 315 B8R0.1 CCOC(=O)CCC[CH2-] E465916 [0,1,0,0,0,0|0,0,1]=2 316 B8R0.1 CCOC(=O)CCSC E107629 [0,1,0,0,0,0|1,0,0]=2 317 B8R0.1 CCOC(=O)CN=C=O E156271 [0,1,0,0,0,0|2,0,1]=4 318 B8R0.1 CCOC(=O)CN=C=S E101903 [0,1,0,0,0,0|2,0,1]=4 319 B8R0.1 CCOC(=O)CN=[N+]=[N-] E189179 [0,1,0,0,0,0|3,0,0]=4 320 B8R0.1 CCOC(=O)CNC=O N159320 [0,1,0,0,0,0|2,0,1]=4 321 B8R0.1 CCOC(=O)OCC=C A151039 [0,1,0,0,0,0|1,0,2]=4 322 B8R0.1 CCOCC(=O)OCC E195171 [0,1,0,0,0,0|1,0,0]=2 323 B8R0.3 CC(COC)C(=O)OC M157985 [0,1,0,0,0,0|2,0,0]=3 324 B8R0.3 CCCC(=O)C(C)CC M158867 [0,1,0,0,0,0|1,0,2]=4 325 B8R0.3 CCCC(C(=O)NO)N B300173 [0,1,0,0,0,0|2,0,0]=3 326 B8R0.3 CCCC(C)C(=O)OC B300583 [0,1,0,0,0,0|1,0,0]=2 327 B8R0.3 CCOC(=O)C(=O)CBr E111180 [0,1,0,0,0,0|2,0,1]=4 328 B8R0.3 COC(=O)C(CCBr)Br M588617 [0,1,0,0,0,0|2,0,0]=3 329 B8R0.6 C(CCO)CC(CO)O H105564 [0,1,0,0,0,0|1,0,2]=4 330 B8R0.6 CCCC=CC(=O)OC M134288 [0,1,0,0,0,0|1,0,1]=3 331 B8R0.6 CCCCCC(=O)C=C O160047 [0,1,0,0,0,0|0,0,2]=3 332 B8R0.6 CCCCCC(=O)CC O106928 [0,1,0,0,0,0|0,0,0]=1 333 B8R0.6 CCCCCC(=O)CC O106929 [0,1,0,0,0,0|0,0,0]=1 334 B8R0.6 CCCCCC(=O)OC M112312 [0,1,0,0,0,0|1,0,0]=2 335 B8R0.6 CCCCCC(=O)OC M112313 [0,1,0,0,0,0|1,0,0]=2 336 B8R0.6 CCCCCC(=O)OC M112314 [0,1,0,0,0,0|1,0,0]=2 337 B8R0.6 CCCCCC(C)CC M158522 [0,1,0,0,0,0|1,0,1]=3 338 B8R0.6 CCCCCC(CC)O O159907 [0,1,0,0,0,0|0,0,2]=3 339 B8R0.6 CCCCNC(=O)C=C N405436 [0,1,0,0,0,0|0,0,2]=3 340 B8R0.6 CCCCNC(=O)CCl N193799 [0,1,0,0,0,0|1,0,0]=2 341 B8R0.6 CCCCOC(=O)C=C B100034 [0,1,0,0,0,0|0,0,2]=3 342 B8R0.6 CCCCOC(=O)C=C B100035 [0,1,0,0,0,0|0,0,2]=3 343 B8R0.6 CCCCOC(=O)C=C B100036 [0,1,0,0,0,0|0,0,2]=3 344 B8R0.6 CCCCOC(=O)C=C B100037 [0,1,0,0,0,0|0,0,2]=3 345 B8R0.6 CCCCOC(=O)CC B152863 [0,1,0,0,0,0|0,0,0]=1 346 B8R0.6 CCCCOC(=O)CCl B152888 [0,1,0,0,0,0|1,0,0]=2 347 B8R0.6 CCCCOC(=O)CO B134012 [0,1,0,0,0,0|1,0,0]=2 348 B8R0.6 CCCCOC(=O)CO B493056 [0,1,0,0,0,0|1,0,0]=2 349 B8R0.6 CCCCOC(=O)CS B152740 [0,1,0,0,0,0|1,0,0]=2 350 B8R0.6 CCCOCC(CO)O O353306 [0,1,0,0,0,0|1,0,2]=4 351 B8R0.6 COC(=O)CCCC=C M158008 [0,1,0,0,0,0|1,0,1]=3 352 B8R0.6 COC(=O)CCCC=O M589623 [0,1,0,0,0,0|1,0,1]=3 353 B8R0.6 COC(=O)CCCCBr M157983 [0,1,0,0,0,0|1,0,0]=2 354 B8R0.6 COC(=O)CCCCCl M167259 [0,1,0,0,0,0|1,0,0]=2 355 B8R0.6 COC(=O)COCCCl M195238 [0,1,0,0,0,0|2,0,0]=3 356 B8R0.6 COCCOC(=O)C=C E102687 [0,1,0,0,0,0|1,0,2]=4 357 B8R0.6 COCCOC(=O)C=C P133111 [0,1,0,0,0,0|1,0,2]=4 358 B8R0.6 COCCOC(=O)C=C P133370 [0,1,0,0,0,0|1,0,2]=4 359 B8R0.6 COCCOC(=O)C=C P136232 [0,1,0,0,0,0|1,0,2]=4 360 B8R0.8 CC(=C)C(=O)OCCBr B589157 [0,1,0,0,0,0|2,0,1]=4 361 B8R0.8 CC(=C)C(=O)OCCCl M140401 [0,1,0,0,0,0|2,0,1]=4 362 B8R0.8 CC(=C)C(=O)OCCN A168938 [0,1,0,0,0,0|2,0,1]=4 363 B8R0.8 CC(=C)C(=O)OCCO H103044 [0,1,0,0,0,0|2,0,1]=4 364 B8R0.8 CC(=C)C(=O)OCCO H140643 [0,1,0,0,0,0|2,0,1]=4 365 B8R0.8 CC(=C)C(=O)OCCO H140644 [0,1,0,0,0,0|2,0,1]=4 366 B8R0.8 CC(=C)C(=O)OCCO H303891 [0,1,0,0,0,0|2,0,1]=4 367 B8R0.8 CC(=C)C(=O)OCCO H434293 [0,1,0,0,0,0|2,0,1]=4 368 B8R0.8 CC(C(=O)NCCO)O N158965 [0,1,0,0,0,0|2,0,0]=3 369 B8R0.8 CCCCC(=O)C(=O)C H106591 [0,1,0,0,0,0|0,0,1]=2 370 B8R0.8 CCCCC(=O)C(=O)[O-] K471800 [0,1,0,0,0,0|1,0,1]=3 371 B8R0.8 CCCCC(=O)C(C)C M158862 [0,1,0,0,0,0|0,0,0]=1 372 B8R0.8 CCCCC(C)C(C)C D155224 [0,1,0,0,0,0|1,0,1]=3 373 B8R0.8 CCCOC(=O)C(=C)C N338922 [0,1,0,0,0,0|1,0,1]=3 374 B8R0.8 CCCOC(=O)C(C)C P133971 [0,1,0,0,0,0|1,0,0]=2 375 B8R0.8 CCCOC(=O)C(C)O P160122 [0,1,0,0,0,0|1,0,0]=2 376 B8R0.8 CN(C)C(=O)CCOC M404748 [0,1,0,0,0,0|2,0,0]=3 377 B8R0.9 C(CC(=O)O)C(=O)CN A107209 [0,1,0,0,0,0|2,0,1]=4 378 B8R0.9 CC(=O)CCC(=O)OC M157990 [0,1,0,0,0,0|1,0,1]=3 379 B8R0.9 CC(=O)CCC(=O)OC N196982 [0,1,0,0,0,0|1,0,1]=3 380 B8R0.9 CC(=O)NCC(=O)NC A342681 [0,1,0,0,0,0|2,0,1]=4 381 B8R0.9 CC(=O)OCC(=O)CCl A135505 [0,1,0,0,0,0|2,0,1]=4 382 B8R0.9 CC(C)CCC(=O)OC M464241 [0,1,0,0,0,0|1,0,0]=2 383 B8R0.9 CC(C)COC(=O)C=C I111441 [0,1,0,0,0,0|1,0,2]=4 384 B8R0.9 CC(COC(=O)C=C)O H100855 [0,1,0,0,0,0|1,0,2]=4 385 B8R0.9 CCC(=O)CCC(=O)O O165944 [0,1,0,0,0,0|1,0,1]=3 386 B8R0.9 CCC(=O)OCC(C)C I157498 [0,1,0,0,0,0|1,0,0]=2 387 B8R0.9 CCC(C)CCC(C)C D155227 [0,1,0,0,0,0|1,0,1]=3 388 B8R0.9 CN(C)CCC(=O)OC M170066 [0,1,0,0,0,0|2,0,0]=3 389 B8R0.9 COC(=O)CCC(=O)Cl M132641 [0,1,0,0,0,0|2,0,1]=4 390 B8R0.9 COC(=O)CCC(=O)N M158316 [0,1,0,0,0,0|2,0,1]=4 391 B8R0.9 COC(=O)CCC(=O)O M102991 [0,1,0,0,0,0|2,0,1]=4 392 B8R0.9 COC(=O)CCS(=O)[O-] S139412 [0,1,0,0,0,0|3,0,0]=4 393 B8R0.9 NCC(=O)CCC(O)=O A409271 [0,1,0,0,0,0|2,0,1]=4 394 B8R0.11 CCCC=C(CC)C=O E156033 [0,1,0,0,0,0|0,0,1]=2 395 B8R0.11 CCCCC(CC)C=O E156034 [0,1,0,0,0,0|0,0,1]=2 396 B8R0.11 CCCCC(CC)CBr E110127 [0,1,0,0,0,0|1,0,1]=3 397 B8R0.11 CCCCC(CC)CCl C102335 [0,1,0,0,0,0|1,0,1]=3 398 B8R0.11 CCCCC(CC)CN E108992 [0,1,0,0,0,0|1,0,1]=3 399 B8R0.11 CCCCC(CC)CN E133205 [0,1,0,0,0,0|1,0,1]=3 400 B8R0.11 CCCCC(CC)CN E301663 [0,1,0,0,0,0|1,0,1]=3 401 B8R0.11 CCCCC(CC)CO E101075 [0,1,0,0,0,0|0,0,2]=3 402 B8R0.11 CCCCC(CC)CO E101076 [0,1,0,0,0,0|0,0,2]=3 403 B8R0.11 CCCCC(CC)CO E101078 [0,1,0,0,0,0|0,0,2]=3 404 B8R0.11 CCCCC(CC)CO E101080 [0,1,0,0,0,0|0,0,2]=3 405 B8R0.11 CCCCC(CC)CS E102329 [0,1,0,0,0,0|0,1,1]=3 406 B8R0.11 CCCCC(CC)C[O-] T189573 [0,1,0,0,0,0|0,0,2]=3 407 B8R0.11 CCCCN(CC)CC I170392 [0,1,0,0,0,0|2,0,0]=3 408 B8R0.11 CCN(CC)CCCCl C302133 [0,1,0,0,0,0|3,0,0]=4 409 B8R0.11 CCN(CC)CCCN D105332 [0,1,0,0,0,0|3,0,0]=4 410 B8R0.11 CCN(CC)CCCN D615689 [0,1,0,0,0,0|3,0,0]=4 411 B8R0.11 CCN(CC)CCCN N404371 [0,1,0,0,0,0|3,0,0]=4 412 B8R0.11 CCN(CC)CCCO D135866 [0,1,0,0,0,0|3,0,0]=4 413 B8R0.11 CCN(CC)CCNC N159350 [0,1,0,0,0,0|3,0,0]=4 414 B8R0.19 CCC(=O)CC(=O)CC H102410 [0,1,0,0,0,0|0,0,1]=2 415 B8R0.19 CCC(=O)CC(=O)OC M109572 [0,1,0,0,0,0|1,0,1]=3 416 B8R0.19 CCC(=O)OC(=O)CC P106800 [0,1,0,0,0,0|1,0,1]=3 417 B8R0.19 CCC(=O)OC(=O)CC P137907 [0,1,0,0,0,0|1,0,1]=3 418 B8R0.19 CCC(C)CC(=O)CC M158857 [0,1,0,0,0,0|0,0,0]=1 419 B8R0.19 CCC(C)NC(C)CC D108054 [0,1,0,0,0,0|2,0,1]=4 420 B8R0.19 CCC(C)OC(C)CC B113704 [0,1,0,0,0,0|2,0,1]=4 421 B8R0.19 CCC(CC(=O)OC)O M465384 [0,1,0,0,0,0|1,0,0]=2 422 B8R0.19 COC(=O)CC(=O)CCl M158829 [0,1,0,0,0,0|2,0,1]=4 423 B8R0.19 COC(=O)CC(=O)OC D103051 [0,1,0,0,0,0|2,0,1]=4 424 B8R0.25 CCCCC(C)(CC)O M303984 [0,1,0,0,0,0|0,0,2]=3 425 B8R0.25 CC[N+](C)(C)CCOC E404420 [0,1,0,0,0,0|3,0,0]=4 426 B8R1.1 C1C(OC(=O)N1)CCl C134365 [0,0,0,1,0,0|3,0,0]=4 427 B8R1.1 C1C(OC(=O)O1)CO G156799 [0,0,0,1,0,0|3,0,0]=4 428 B8R1.1 C1CC(=O)NC1CBr B102457 [0,0,0,1,0,0|2,0,0]=3 429 B8R1.1 C1CC(=O)NC1CBr B102458 [0,0,0,1,0,0|2,0,0]=3 430 B8R1.1 C1CC(=O)NC1CO H103185 [0,0,0,1,0,0|2,0,0]=3 431 B8R1.1 C1CC(=O)NC1CO H103186 [0,0,0,1,0,0|2,0,0]=3 432 B8R1.1 CC1CCC(O1)CO T346390 [0,0,0,1,0,0|1,0,2]=4 433 B8R1.1 CCC1CCC(=O)O1 C111339 [0,0,0,1,0,0|1,0,0]=2 434 B8R1.1 CN1CCC(C1)CN M173258 [0,0,0,1,0,0|3,0,0]=4 435 B8R1.1 CN1CCC(C1)CO R172594 [0,0,0,1,0,0|3,0,0]=4 436 B8R1.1 COC1=CC(=O)CC1 M170478 [0,0,0,1,0,0|1,0,2]=4 437 B8R1.2 C#CC1=CCCCC1 E156239 [0,0,0,1,0,0|1,0,2]=4 438 B8R1.2 C1CCC(=CC1)C#N C153472 [0,0,0,1,0,0|2,0,1]=4 439 B8R1.2 C1CCC(=CC1)C=O C468613 [0,0,0,1,0,0|2,0,1]=4 440 B8R1.2 C1CCC(=NO)CC1 C109682 [0,0,0,1,0,0|3,0,0]=4 441 B8R1.2 C1CCC(CC1)CBr B121199 [0,0,0,1,0,0|2,0,1]=4 442 B8R1.2 C1CCC(CC1)CN C138894 [0,0,0,1,0,0|2,0,1]=4 443 B8R1.2 C1CCC(CC1)CN C303051 [0,0,0,1,0,0|2,0,1]=4 444 B8R1.2 C1CCC(CC1)CN C493236 [0,0,0,1,0,0|2,0,1]=4 445 B8R1.2 C1CCC(CC1)CO C106975 [0,0,0,1,0,0|2,0,1]=4 446 B8R1.2 C1CCNC(C1)CN P132846 [0,0,0,1,0,0|2,0,1]=4 447 B8R1.2 C1CCNC(C1)CO P124723 [0,0,0,1,0,0|2,0,1]=4 448 B8R1.2 C1CCOC(C1)CBr B169755 [0,0,0,1,0,0|1,0,2]=4 449 B8R1.2 C1CCOC(C1)CO T161846 [0,0,0,1,0,0|1,0,2]=4 450 B8R1.2 CCC1CCCCC1 E108913 [0,0,0,1,0,0|1,0,1]=3 451 B8R1.2 CCC1CCCCC1 E108914 [0,0,0,1,0,0|1,0,1]=3 452 B8R1.2 CCC1CCCCN1 E156420 [0,0,0,1,0,0|1,0,1]=3 453 B8R1.2 CCC1CCCCN1 S467334 [0,0,0,1,0,0|1,0,1]=3 454 B8R1.2 CCC1CCNCC1 E169556 [0,0,0,1,0,0|2,0,1]=4 455 B8R1.2 CCC1COCCN1 R186382 [0,0,0,1,0,0|2,0,1]=4 456 B8R1.2 CCN1CCCCC1 E110307 [0,0,0,1,0,0|2,0,0]=3 457 B8R1.2 CCN1CCNCC1 E103219 [0,0,0,1,0,0|3,0,0]=4 458 B8R1.2 CCN1CCOCC1 E104658 [0,0,0,1,0,0|3,0,0]=4 459 B8R1.2 CCN1CCOCC1 E104659 [0,0,0,1,0,0|3,0,0]=4 460 B8R1.2 CNC1CCCCC1 M124516 [0,0,0,1,0,0|2,0,1]=4 461 B8R1.2 COC1CCCCC1 M158042 [0,0,0,1,0,0|2,0,1]=4 462 B8R1.2 COC1CCCCO1 W196195 [0,0,0,1,0,0|1,0,2]=4 463 B8R1.3 C1CC(=O)CCC1=O C110959 [0,0,0,1,0,0|1,0,1]=3 464 B8R1.3 C1CC(=O)CCC1N A194532 [0,0,0,1,0,0|1,0,0]=2 465 B8R1.3 C1CC(=O)CCC1O H190648 [0,0,0,1,0,0|1,0,0]=2 466 B8R1.3 C1CC(=O)NCC1O H191838 [0,0,0,1,0,0|2,0,0]=3 467 B8R1.3 C1CC(CCC1Cl)Cl T161920 [0,0,0,1,0,0|2,0,1]=4 468 B8R1.3 C1CC(CCC1N)N C153639 [0,0,0,1,0,0|2,0,1]=4 469 B8R1.3 C1CC(CCC1N)N C153643 [0,0,0,1,0,0|2,0,1]=4 470 B8R1.3 C1CC(CCC1N)N C405486 [0,0,0,1,0,0|2,0,1]=4 471 B8R1.3 C1CC(CCC1N)N T138578 [0,0,0,1,0,0|2,0,1]=4 472 B8R1.3 C1CC(CCC1N)O A589874 [0,0,0,1,0,0|1,0,2]=4 473 B8R1.3 C1CC(CCC1N)O A590121 [0,0,0,1,0,0|1,0,2]=4 474 B8R1.3 C1CC(CCC1N)O C176801 [0,0,0,1,0,0|1,0,2]=4 475 B8R1.3 C1CC(CCC1N)O C589031 [0,0,0,1,0,0|1,0,2]=4 476 B8R1.3 C1CC(CCC1N)O T161619 [0,0,0,1,0,0|1,0,2]=4 477 B8R1.3 C1CC(CCC1N)O T349966 [0,0,0,1,0,0|1,0,2]=4 478 B8R1.3 C1CC(CCC1O)O C109099 [0,0,0,1,0,0|1,0,2]=4 479 B8R1.3 CC1=NNC(=O)CC1 D135167 [0,0,0,1,0,0|2,0,1]=4 480 B8R1.3 CC1CCC(=O)CC1 M106719 [0,0,0,1,0,0|0,0,0]=1 481 B8R1.3 CC1CCC(=O)CC1 M113653 [0,0,0,1,0,0|0,0,0]=1 482 B8R1.3 CC1CCC(CC1)Br B301345 [0,0,0,1,0,0|1,0,1]=3 483 B8R1.3 CC1CCC(CC1)C C153597 [0,0,0,1,0,0|1,0,1]=3 484 B8R1.3 CC1CCC(CC1)C D155234 [0,0,0,1,0,0|1,0,1]=3 485 B8R1.3 CC1CCC(CC1)C T161837 [0,0,0,1,0,0|1,0,1]=3 486 B8R1.3 CC1CCC(CC1)N C348902 [0,0,0,1,0,0|1,0,1]=3 487 B8R1.3 CC1CCC(CC1)N C404679 [0,0,0,1,0,0|1,0,1]=3 488 B8R1.3 CC1CCC(CC1)N I132581 [0,0,0,1,0,0|1,0,1]=3 489 B8R1.3 CC1CCC(CC1)N M158849 [0,0,0,1,0,0|1,0,1]=3 490 B8R1.3 CC1CCC(CC1)N M158850 [0,0,0,1,0,0|1,0,1]=3 491 B8R1.3 CC1CCC(CC1)O C153285 [0,0,0,1,0,0|0,0,2]=3 492 B8R1.3 CC1CCC(CC1)O M157776 [0,0,0,1,0,0|0,0,2]=3 493 B8R1.3 CC1CCC(CC1)O T162592 [0,0,0,1,0,0|0,0,2]=3 494 B8R1.3 CN1CCC(=O)CC1 N138232 [0,0,0,1,0,0|1,0,0]=2 495 B8R1.3 CN1CCC(CC1)Br B194964 [0,0,0,1,0,0|2,0,1]=4 496 B8R1.3 CN1CCC(CC1)Cl C140163 [0,0,0,1,0,0|2,0,1]=4 497 B8R1.3 CN1CCC(CC1)Cl N133495 [0,0,0,1,0,0|2,0,1]=4 498 B8R1.3 CN1CCC(CC1)N A123220 [0,0,0,1,0,0|2,0,1]=4 499 B8R1.3 CN1CCC(CC1)O H156974 [0,0,0,1,0,0|1,0,2]=4 500 B8R1.3 CN1CCN(CC1)C B282523 [0,0,0,1,0,0|3,0,0]=4 501 B8R1.3 CN1CCN(CC1)C D124551 [0,0,0,1,0,0|3,0,0]=4 502 B8R1.3 CN1CCN(CC1)N A151724 [0,0,0,1,0,0|3,0,0]=4 503 B8R1.3 CN1CCN(CC1)N A469186 [0,0,0,1,0,0|3,0,0]=4 504 B8R1.5 C1CC(C(=O)NC1)Br B588801 [0,0,0,1,0,0|2,0,0]=3 505 B8R1.5 C1CC(C(=O)NC1)N A121540 [0,0,0,1,0,0|2,0,0]=3 506 B8R1.5 C1CC(C(=O)NC1)N A121541 [0,0,0,1,0,0|2,0,0]=3 507 B8R1.5 C1CC(C(=O)NC1)N A181382 [0,0,0,1,0,0|2,0,0]=3 508 B8R1.5 C1CC(C(=O)NC1)N I170302 [0,0,0,1,0,0|2,0,0]=3 509 B8R1.5 C1CC(C(=O)NC1)O H191839 [0,0,0,1,0,0|2,0,0]=3 510 B8R1.5 C1CCC(=O)C(=O)C1 C123365 [0,0,0,1,0,0|1,0,1]=3 511 B8R1.5 C1CCC(=O)C(C1)Br B131549 [0,0,0,1,0,0|1,0,0]=2 512 B8R1.5 C1CCC(=O)C(C1)Cl C103549 [0,0,0,1,0,0|1,0,0]=2 513 B8R1.5 C1CCC(=O)C(C1)O H133366 [0,0,0,1,0,0|1,0,0]=2 514 B8R1.5 C1CCC(C(C1)Cl)Cl T161921 [0,0,0,1,0,0|2,0,1]=4 515 B8R1.5 C1CCC(C(C1)F)Br B152772 [0,0,0,1,0,0|2,0,1]=4 516 B8R1.5 C1CCC(C(C1)N)N C106462 [0,0,0,1,0,0|2,0,1]=4 517 B8R1.5 C1CCC(C(C1)N)N C106970 [0,0,0,1,0,0|2,0,1]=4 518 B8R1.5 C1CCC(C(C1)N)N C153337 [0,0,0,1,0,0|2,0,1]=4 519 B8R1.5 C1CCC(C(C1)N)N D102251 [0,0,0,1,0,0|2,0,1]=4 520 B8R1.5 C1CCC(C(C1)N)N D102252 [0,0,0,1,0,0|2,0,1]=4 521 B8R1.5 C1CCC(C(C1)N)N D299616 [0,0,0,1,0,0|2,0,1]=4 522 B8R1.5 C1CCC(C(C1)N)N D579480 [0,0,0,1,0,0|2,0,1]=4 523 B8R1.5 C1CCC(C(C1)N)N P299653 [0,0,0,1,0,0|2,0,1]=4 524 B8R1.5 C1CCC(C(C1)N)O A135671 [0,0,0,1,0,0|1,0,2]=4 525 B8R1.5 C1CCC(C(C1)N)O C135782 [0,0,0,1,0,0|1,0,2]=4 526 B8R1.5 C1CCC(C(C1)N)O I167007 [0,0,0,1,0,0|1,0,2]=4 527 B8R1.5 C1CCC(C(C1)N)O R195900 [0,0,0,1,0,0|1,0,2]=4 528 B8R1.5 C1CCC(C(C1)N)O S138163 [0,0,0,1,0,0|1,0,2]=4 529 B8R1.5 C1CCC(C(C1)N)O S304528 [0,0,0,1,0,0|1,0,2]=4 530 B8R1.5 C1CCC(C(C1)N)O S587981 [0,0,0,1,0,0|1,0,2]=4 531 B8R1.5 C1CCC(C(C1)N)O T474337 [0,0,0,1,0,0|1,0,2]=4 532 B8R1.5 C1CCC(C(C1)O)Cl C133236 [0,0,0,1,0,0|1,0,2]=4 533 B8R1.5 C1CCC(C(C1)O)F F156603 [0,0,0,1,0,0|1,0,2]=4 534 B8R1.5 C1CCC(C(C1)O)O C101651 [0,0,0,1,0,0|1,0,2]=4 535 B8R1.5 C1CCC(C(C1)O)O C101652 [0,0,0,1,0,0|1,0,2]=4 536 B8R1.5 C1CCC(C(C1)O)O C153336 [0,0,0,1,0,0|1,0,2]=4 537 B8R1.5 C1CCC(C(C1)O)O C153338 [0,0,0,1,0,0|1,0,2]=4 538 B8R1.5 C1CCC(C(C1)O)O I171071 [0,0,0,1,0,0|1,0,2]=4 539 B8R1.5 C1CC[C@H]([C@@H](C1)[NH-])[NH-] O124003 [0,0,0,1,0,0|2,0,1]=4 540 B8R1.5 C1CC[C@H]([C@@H](C1)[NH-])[NH-] O425120 [0,0,0,1,0,0|2,0,1]=4 541 B8R1.5 C1COCC(C1=O)F F176973 [0,0,0,1,0,0|2,0,0]=3 542 B8R1.5 CC1=NCCCN1C D184491 [0,0,0,1,0,0|3,0,0]=4 543 B8R1.5 CC1C(=O)NCCN1 M168916 [0,0,0,1,0,0|2,0,0]=3 544 B8R1.5 CC1C(=O)NCCN1 R195856 [0,0,0,1,0,0|2,0,0]=3 545 B8R1.5 CC1CCCCC1=O M100791 [0,0,0,1,0,0|0,0,0]=1 546 B8R1.5 CC1CCCCC1C D155823 [0,0,0,1,0,0|1,0,1]=3 547 B8R1.5 CC1CCCCC1N M102224 [0,0,0,1,0,0|1,0,1]=3 548 B8R1.5 CC1CCCCC1O C153331 [0,0,0,1,0,0|0,0,2]=3 549 B8R1.5 CC1CCCCC1O M157932 [0,0,0,1,0,0|0,0,2]=3 550 B8R1.5 CC1CNCCC1=O M589544 [0,0,0,1,0,0|1,0,0]=2 551 B8R1.5 CC1CNCCN1C R176969 [0,0,0,1,0,0|3,0,0]=4 552 B8R1.5 CN1CCCCC1=O N335945 [0,0,0,1,0,0|1,0,0]=2 553 B8R1.5 CN1CCCNC1=O M493197 [0,0,0,1,0,0|2,0,0]=3 554 B8R1.22 C1CC(=O)CCNC1 H121983 [0,0,0,1,0,0|1,0,0]=2 555 B8R1.22 C1CCC(=O)C=CC1 C138031 [0,0,0,1,0,0|0,0,2]=3 556 B8R1.22 C1CCC(=O)NCC1 C111698 [0,0,0,1,0,0|1,0,0]=2 557 B8R1.22 C1CCC(=O)NCC1 C111700 [0,0,0,1,0,0|1,0,0]=2 558 B8R1.22 C1CCC(=O)OCC1 C109521 [0,0,0,1,0,0|1,0,0]=2 559 B8R1.22 C1CCC(=O)OCC1 C398060 [0,0,0,1,0,0|1,0,0]=2 560 B8R1.22 C1CCC(=O)OCC1 P299385 [0,0,0,1,0,0|1,0,0]=2 561 B8R1.22 C1CCC(=O)OCC1 P398622 [0,0,0,1,0,0|1,0,0]=2 562 B8R1.22 C1CCC(=O)OCC1 P478241 [0,0,0,1,0,0|1,0,0]=2 563 B8R1.22 C1CCC(=O)OCC1 P485972 [0,0,0,1,0,0|1,0,0]=2 564 B8R1.22 C1CCC(=O)OCC1 P579406 [0,0,0,1,0,0|1,0,0]=2 565 B8R1.22 C1CCC(=S)NCC1 T140461 [0,0,0,1,0,0|1,1,0]=3 566 B8R1.22 C1CCCC(=O)CC1 C111127 [0,0,0,1,0,0|0,0,0]=1 567 B8R1.22 C1CCCC(CC1)Br B152451 [0,0,0,1,0,0|1,0,1]=3 568 B8R1.22 C1CCCC(CC1)Cl C153659 [0,0,0,1,0,0|1,0,1]=3 569 B8R1.22 C1CCCC(CC1)N C153902 [0,0,0,1,0,0|1,0,1]=3 570 B8R1.22 C1CCCC(CC1)O C105241 [0,0,0,1,0,0|0,0,2]=3 571 B8R1.22 C1COCCNC1=O O189427 [0,0,0,1,0,0|2,0,0]=3 572 B8R1.22 C=C1OCCCCO1 M194650 [0,0,0,1,0,0|3,0,0]=4 573 B8R1.22 CN1CCCNCC1 M138837 [0,0,0,1,0,0|3,0,0]=4 574 B8R1.38 C1CC(C1)C(=O)NN C348580 [0,0,0,1,0,0|2,0,0]=3 575 B8R1.38 COC(=O)C1CNC1 A132584 [0,0,0,1,0,0|2,0,0]=3 576 B8R1.40 C1CC1NC(=O)CCl C587871 [0,0,0,1,0,0|2,0,0]=3 577 B8R1.50 C1C(C(C(=O)O1)O)O D130853 [0,0,0,1,0,0|3,0,0]=4 578 B8R1.50 CC1=C(C(=O)CC1)Br B472647 [0,0,0,1,0,0|1,0,2]=4 579 B8R1.50 CC1=C(C(=O)CC1)O H139285 [0,0,0,1,0,0|1,0,2]=4 580 B8R1.50 CC1C(=O)CCC1=O M136868 [0,0,0,1,0,0|1,0,1]=3 581 B8R1.50 CC1CCC(=O)C1=O M109224 [0,0,0,1,0,0|1,0,1]=3 582 B8R1.50 CC1CCC(=O)N1C D467310 [0,0,0,1,0,0|1,0,0]=2 583 B8R1.50 CN1C(=O)CCC1=O N159128 [0,0,0,1,0,0|2,0,1]=4 584 B8R1.50 CN1C(CCC1=O)O H351403 [0,0,0,1,0,0|2,0,0]=3 585 B8R1.52 C1CCC(C1)(CO)N A165541 [0,0,0,1,0,0|2,0,1]=4 586 B8R1.52 CCC1(CCCC1)O E134299 [0,0,0,1,0,0|0,0,2]=3 587 B8R1.52 CC[N+]1(CCCC1)C E123919 [0,0,0,1,0,0|2,0,0]=3 588 B8R1.52 CC[N+]1(CCCC1)C E156309 [0,0,0,1,0,0|2,0,0]=3 589 B5R0.1 C(CBr)C(=O)Cl B135557 [2,0,0,0,0,0|2,0,0]=4 590 B5R0.1 C(CBr)C(=O)N B152335 [2,0,0,0,0,0|2,0,0]=4 591 B5R0.1 C(CBr)C(=O)O B106081 [2,0,0,0,0,0|2,0,0]=4 592 B5R0.1 C(CCl)C(=O)Cl C109466 [2,0,0,0,0,0|2,0,0]=4 593 B5R0.1 C(CCl)C(=O)N C171099 [2,0,0,0,0,0|2,0,0]=4 594 B5R0.1 C(CCl)C(=O)O C106515 [2,0,0,0,0,0|2,0,0]=4 595 B5R0.1 C(CI)C(=O)O I157542 [2,0,0,0,0,0|2,0,0]=4 596 B5R0.1 C(CN)C(=O)N B135870 [2,0,0,0,0,0|2,0,0]=4 597 B5R0.1 C(CN)C(=O)O A105703 [2,0,0,0,0,0|2,0,0]=4 598 B5R0.1 C(CN)C(=O)O A137901 [2,0,0,0,0,0|2,0,0]=4 599 B5R0.1 C(CN)C(=O)O A494514 [2,0,0,0,0,0|2,0,0]=4 600 B5R0.1 C(CO)C(=O)O H136635 [2,0,0,0,0,0|2,0,0]=4 601 B5R0.1 C(CS)C(=O)O M103035 [2,0,0,0,0,0|2,0,0]=4 602 B5R0.1 C(CS)C(=O)O M103036 [2,0,0,0,0,0|2,0,0]=4 603 B5R0.1 C(CS)C(=O)O M590994 [2,0,0,0,0,0|2,0,0]=4 604 B5R0.1 CC(=C)CCO M158231 [2,0,0,0,0,0|2,0,0]=4 605 B5R0.1 CC(=O)CCO H106330 [2,0,0,0,0,0|1,0,0]=3 606 B5R0.1 CC(=O)COC M158844 [2,0,0,0,0,0|1,0,0]=3 607 B5R0.1 CC(=O)NCO A151630 [2,0,0,0,0,0|2,0,0]=4 608 B5R0.1 CC(=O)OCBr B122544 [2,0,0,0,0,0|2,0,0]=4 609 B5R0.1 CC(=O)OCCl C194261 [2,0,0,0,0,0|2,0,0]=4 610 B5R0.1 CC=CC(=O)C P139100 [2,0,0,0,0,0|0,0,2]=4 611 B5R0.1 CCC=C(C)C M158233 [2,0,0,0,0,0|1,0,1]=4 612 B5R0.1 CCCC(=C)C M158211 [2,0,0,0,0,0|1,0,0]=3 613 B5R0.1 CCCC(=O)C P103780 [2,0,0,0,0,0|0,0,0]=2 614 B5R0.1 CCCC(=O)C P103781 [2,0,0,0,0,0|0,0,0]=2 615 B5R0.1 CCCC(=O)C P103782 [2,0,0,0,0,0|0,0,0]=2 616 B5R0.1 CCCC(=O)C P103783 [2,0,0,0,0,0|0,0,0]=2 617 B5R0.1 CCCC(=O)Cl B108666 [2,0,0,0,0,0|1,0,0]=3 618 B5R0.1 CCCC(=O)N B152329 [2,0,0,0,0,0|1,0,0]=3 619 B5R0.1 CCCC(=O)O B110438 [2,0,0,0,0,0|1,0,0]=3 620 B5R0.1 CCCC(=O)O B110439 [2,0,0,0,0,0|1,0,0]=3 621 B5R0.1 CCCC(=O)O B110440 [2,0,0,0,0,0|1,0,0]=3 622 B5R0.1 CCCC(=O)O B110442 [2,0,0,0,0,0|1,0,0]=3 623 B5R0.1 CCCC(=O)O B274612 [2,0,0,0,0,0|1,0,0]=3 624 B5R0.1 CCCC(=O)O B431361 [2,0,0,0,0,0|1,0,0]=3 625 B5R0.1 CCCC(=O)[O-] S102954 [2,0,0,0,0,0|1,0,0]=3 626 B5R0.1 CCCC(=O)[O-] S102956 [2,0,0,0,0,0|1,0,0]=3 627 B5R0.1 CCCC(=O)[O-] S346178 [2,0,0,0,0,0|1,0,0]=3 628 B5R0.1 CCCC(=O)[O-] S421873 [2,0,0,0,0,0|1,0,0]=3 629 B5R0.1 CCCC(C)Br B400517 [2,0,0,0,0,0|1,0,1]=4 630 B5R0.1 CCCC(C)C I157548 [2,0,0,0,0,0|1,0,1]=4 631 B5R0.1 CCCC(C)C M105775 [2,0,0,0,0,0|1,0,1]=4 632 B5R0.1 CCCC(C)C M105776 [2,0,0,0,0,0|1,0,1]=4 633 B5R0.1 CCCC(C)C M105777 [2,0,0,0,0,0|1,0,1]=4 634 B5R0.1 CCCC(C)C M105778 [2,0,0,0,0,0|1,0,1]=4 635 B5R0.1 CCCC(C)C M137744 [2,0,0,0,0,0|1,0,1]=4 636 B5R0.1 CCCC(C)Cl C467357 [2,0,0,0,0,0|1,0,1]=4 637 B5R0.1 CCCC(C)N A151353 [2,0,0,0,0,0|1,0,1]=4 638 B5R0.1 CCCC(C)O P103442 [2,0,0,0,0,0|0,0,2]=4 639 B5R0.1 CCCC(C)O P103443 [2,0,0,0,0,0|0,0,2]=4 640 B5R0.1 CCCC(C)O R138651 [2,0,0,0,0,0|0,0,2]=4 641 B5R0.1 CCCC(C)O S138580 [2,0,0,0,0,0|0,0,2]=4 642 B5R0.1 CCCN(C)C N404354 [2,0,0,0,0,0|2,0,0]=4 643 B5R0.1 CCC[N+](=O)[O-] N109053 [2,0,0,0,0,0|2,0,0]=4 644 B5R0.1 CCNC(=O)C I135660 [2,0,0,0,0,0|1,0,0]=3 645 B5R0.1 CCNC(=O)N E105944 [2,0,0,0,0,0|2,0,0]=4 646 B5R0.1 CCOC(=N)C E132730 [2,0,0,0,0,0|2,0,0]=4 647 B5R0.1 CCOC(=O)C E116131 [2,0,0,0,0,0|1,0,0]=3 648 B5R0.1 CCOC(=O)C E116132 [2,0,0,0,0,0|1,0,0]=3 649 B5R0.1 CCOC(=O)C E116133 [2,0,0,0,0,0|1,0,0]=3 650 B5R0.1 CCOC(=O)C E116134 [2,0,0,0,0,0|1,0,0]=3 651 B5R0.1 CCOC(=O)C E116135 [2,0,0,0,0,0|1,0,0]=3 652 B5R0.1 CCOC(=O)C E116136 [2,0,0,0,0,0|1,0,0]=3 653 B5R0.1 CCOC(=O)C E116137 [2,0,0,0,0,0|1,0,0]=3 654 B5R0.1 CCOC(=O)C E116138 [2,0,0,0,0,0|1,0,0]=3 655 B5R0.1 CCOC(=O)C E116139 [2,0,0,0,0,0|1,0,0]=3 656 B5R0.1 CCOC(=O)C E116141 [2,0,0,0,0,0|1,0,0]=3 657 B5R0.1 CCOC(=O)C E116142 [2,0,0,0,0,0|1,0,0]=3 658 B5R0.1 CCOC(=O)C E119698 [2,0,0,0,0,0|1,0,0]=3 659 B5R0.1 CCOC(=O)C E141165 [2,0,0,0,0,0|1,0,0]=3 660 B5R0.1 CCOC(=O)C E302266 [2,0,0,0,0,0|1,0,0]=3 661 B5R0.1 CCOC(=O)C E432070 [2,0,0,0,0,0|1,0,0]=3 662 B5R0.1 CCOC(=O)N C266075 [2,0,0,0,0,0|2,0,0]=4 663 B5R0.1 CCOC(=O)N E424443 [2,0,0,0,0,0|2,0,0]=4 664 B5R0.1 CCOC(=O)N U108629 [2,0,0,0,0,0|2,0,0]=4 665 B5R0.1 CCOC(=O)N U299635 [2,0,0,0,0,0|2,0,0]=4 666 B5R0.1 CCSC(=O)C E107950 [2,0,0,0,0,0|1,0,0]=3 667 B5R0.1 CCSC(=S)C E338928 [2,0,0,0,0,0|1,1,0]=4 668 B5R0.1 CNCC(=O)N S115899 [2,0,0,0,0,0|2,0,0]=4 669 B5R0.1 CNCC(=O)O S102891 [2,0,0,0,0,0|2,0,0]=4 670 B5R0.1 CNCC(=O)O S113893 [2,0,0,0,0,0|2,0,0]=4 671 B5R0.1 CNCC(=O)O S420541 [2,0,0,0,0,0|2,0,0]=4 672 B5R0.1 CNCC(=O)[O-] S189142 [2,0,0,0,0,0|2,0,0]=4 673 B5R0.1 COCC(=O)Cl M124203 [2,0,0,0,0,0|2,0,0]=4 674 B5R0.1 COCC(=O)O M158057 [2,0,0,0,0,0|2,0,0]=4 675 B5R0.1 CSCC(=O)N M158330 [2,0,0,0,0,0|2,0,0]=4 676 B5R0.1 CSCC(=O)O M168970 [2,0,0,0,0,0|2,0,0]=4 677 B5R0.1 CSCS(=O)C M158415 [2,0,0,0,0,0|2,0,0]=4 678 B5R0.2 C(CCBr)CBr D105749 [2,0,0,0,0,0|2,0,0]=4 679 B5R0.2 C(CCBr)CCl B109690 [2,0,0,0,0,0|2,0,0]=4 680 B5R0.2 C(CCBr)CF B122542 [2,0,0,0,0,0|2,0,0]=4 681 B5R0.2 C(CCBr)CN B163034 [2,0,0,0,0,0|2,0,0]=4 682 B5R0.2 C(CCBr)CO B136242 [2,0,0,0,0,0|2,0,0]=4 683 B5R0.2 C(CCCl)CCl D103409 [2,0,0,0,0,0|2,0,0]=4 684 B5R0.2 C(CCCl)CO C118833 [2,0,0,0,0,0|2,0,0]=4 685 B5R0.2 C(CCI)CCl C153542 [2,0,0,0,0,0|2,0,0]=4 686 B5R0.2 C(CCI)CI D155304 [2,0,0,0,0,0|2,0,0]=4 687 B5R0.2 C(CCN)CN B292804 [2,0,0,0,0,0|2,0,0]=4 688 B5R0.2 C(CCN)CN B304967 [2,0,0,0,0,0|2,0,0]=4 689 B5R0.2 C(CCN)CN B492953 [2,0,0,0,0,0|2,0,0]=4 690 B5R0.2 C(CCN)CN D106194 [2,0,0,0,0,0|2,0,0]=4 691 B5R0.2 C(CCN)CN D423441 [2,0,0,0,0,0|2,0,0]=4 692 B5R0.2 C(CCN)CN D472054 [2,0,0,0,0,0|2,0,0]=4 693 B5R0.2 C(CCO)CN A109739 [2,0,0,0,0,0|2,0,0]=4 694 B5R0.2 C(CCO)CO B110391 [2,0,0,0,0,0|2,0,0]=4 695 B5R0.2 C(CCO)CO B110394 [2,0,0,0,0,0|2,0,0]=4 696 B5R0.2 C(CCO)CO B110395 [2,0,0,0,0,0|2,0,0]=4 697 B5R0.2 C(CCS)CO M338696 [2,0,0,0,0,0|2,0,0]=4 698 B5R0.2 C(CCS)CS B152757 [2,0,0,0,0,0|2,0,0]=4 699 B5R0.2 C(CCS)CS B419814 [2,0,0,0,0,0|2,0,0]=4 700 B5R0.2 C=CCCCBr B107734 [2,0,0,0,0,0|1,0,1]=4 701 B5R0.2 C=CCCCO P103073 [2,0,0,0,0,0|1,0,1]=4 702 B5R0.2 CCC#CCC H157357 [2,0,0,0,0,0|0,0,2]=4 703 B5R0.2 CCC=CC=O T161487 [2,0,0,0,0,0|0,0,2]=4 704 B5R0.2 CCC=CCC C153487 [2,0,0,0,0,0|0,0,1]=3 705 B5R0.2 CCC=CCC H157267 [2,0,0,0,0,0|0,0,1]=3 706 B5R0.2 CCC=CCC T162372 [2,0,0,0,0,0|0,0,1]=3 707 B5R0.2 CCC=CCO C153493 [2,0,0,0,0,0|1,0,1]=4 708 B5R0.2 CCC=CCO T299958 [2,0,0,0,0,0|1,0,1]=4 709 B5R0.2 CCCC#CC H157356 [2,0,0,0,0,0|0,0,2]=4 710 B5R0.2 CCCC=CC C153486 [2,0,0,0,0,0|0,0,1]=3 711 B5R0.2 CCCC=CC H157262 [2,0,0,0,0,0|0,0,1]=3 712 B5R0.2 CCCC=CC T162371 [2,0,0,0,0,0|0,0,1]=3 713 B5R0.2 CCCC=NO B152406 [2,0,0,0,0,0|2,0,0]=4 714 B5R0.2 CCCCC#C H106703 [2,0,0,0,0,0|0,0,2]=4 715 B5R0.2 CCCCC#N B100431 [2,0,0,0,0,0|1,0,1]=4 716 B5R0.2 CCCCC#N B100432 [2,0,0,0,0,0|1,0,1]=4 717 B5R0.2 CCCCC=C H109530 [2,0,0,0,0,0|0,0,1]=3 718 B5R0.2 CCCCC=C H109531 [2,0,0,0,0,0|0,0,1]=3 719 B5R0.2 CCCCC=C H109532 [2,0,0,0,0,0|0,0,1]=3 720 B5R0.2 CCCCC=C H109533 [2,0,0,0,0,0|0,0,1]=3 721 B5R0.2 CCCCC=O V103717 [2,0,0,0,0,0|0,0,0]=2 722 B5R0.2 CCCCCBr B104782 [2,0,0,0,0,0|1,0,0]=3 723 B5R0.2 CCCCCBr B305762 [2,0,0,0,0,0|1,0,0]=3 724 B5R0.2 CCCCCC H100107 [2,0,0,0,0,0|0,0,0]=2 725 B5R0.2 CCCCCC H109653 [2,0,0,0,0,0|0,0,0]=2 726 B5R0.2 CCCCCC H109654 [2,0,0,0,0,0|0,0,0]=2 727 B5R0.2 CCCCCC H109656 [2,0,0,0,0,0|0,0,0]=2 728 B5R0.2 CCCCCC H109659 [2,0,0,0,0,0|0,0,0]=2 729 B5R0.2 CCCCCC H119662 [2,0,0,0,0,0|0,0,0]=2 730 B5R0.2 CCCCCC H121283 [2,0,0,0,0,0|0,0,0]=2 731 B5R0.2 CCCCCC H140380 [2,0,0,0,0,0|0,0,0]=2 732 B5R0.2 CCCCCC H298923 [2,0,0,0,0,0|0,0,0]=2 733 B5R0.2 CCCCCC N431441 [2,0,0,0,0,0|0,0,0]=2 734 B5R0.2 CCCCCCl C109473 [2,0,0,0,0,0|1,0,0]=3 735 B5R0.2 CCCCCCl C109474 [2,0,0,0,0,0|1,0,0]=3 736 B5R0.2 CCCCCF F171115 [2,0,0,0,0,0|1,0,0]=3 737 B5R0.2 CCCCCI I104798 [2,0,0,0,0,0|1,0,0]=3 738 B5R0.2 CCCCCN A105343 [2,0,0,0,0,0|1,0,0]=3 739 B5R0.2 CCCCCN P292685 [2,0,0,0,0,0|1,0,0]=3 740 B5R0.2 CCCCCN P292697 [2,0,0,0,0,0|1,0,0]=3 741 B5R0.2 CCCCCN P292701 [2,0,0,0,0,0|1,0,0]=3 742 B5R0.2 CCCCCN P494144 [2,0,0,0,0,0|1,0,0]=3 743 B5R0.2 CCCCCO N350217 [2,0,0,0,0,0|1,0,0]=3 744 B5R0.2 CCCCCO P108125 [2,0,0,0,0,0|1,0,0]=3 745 B5R0.2 CCCCCO P108126 [2,0,0,0,0,0|1,0,0]=3 746 B5R0.2 CCCCCO P108127 [2,0,0,0,0,0|1,0,0]=3 747 B5R0.2 CCCCCO P108128 [2,0,0,0,0,0|1,0,0]=3 748 B5R0.2 CCCCCO P108129 [2,0,0,0,0,0|1,0,0]=3 749 B5R0.2 CCCCCO P108130 [2,0,0,0,0,0|1,0,0]=3 750 B5R0.2 CCCCCS A100028 [2,0,0,0,0,0|1,0,0]=3 751 B5R0.2 CCCCOC B152821 [2,0,0,0,0,0|1,0,0]=3 752 B5R0.2 CCCCON O184596 [2,0,0,0,0,0|2,0,0]=4 753 B5R0.2 CCCCSC B152508 [2,0,0,0,0,0|1,0,0]=3 754 B5R0.2 CCCC[Sn]Cl B302420 [2,0,0,0,0,0|2,0,0]=4 755 B5R0.2 CCCNCC N159096 [2,0,0,0,0,0|1,0,0]=3 756 B5R0.2 CCCOC=C P137362 [2,0,0,0,0,0|1,0,1]=4 757 B5R0.2 CCCOC=O P160055 [2,0,0,0,0,0|1,0,0]=3 758 B5R0.2 CCCOCC E156162 [2,0,0,0,0,0|1,0,0]=3 759 B5R0.2 CCCSCC E134963 [2,0,0,0,0,0|1,0,0]=3 760 B5R0.2 CCCSSC M103114 [2,0,0,0,0,0|2,0,0]=4 761 B5R0.2 CCNCCN N138023 [2,0,0,0,0,0|2,0,0]=4 762 B5R0.2 CCNCCO E156112 [2,0,0,0,0,0|2,0,0]=4 763 B5R0.2 CCNCCO E301665 [2,0,0,0,0,0|2,0,0]=4 764 B5R0.2 CCNNCC D487275 [2,0,0,0,0,0|2,0,0]=4 765 B5R0.2 CCOC=CC E122346 [2,0,0,0,0,0|1,0,1]=4 766 B5R0.2 CCOCC=C A151091 [2,0,0,0,0,0|1,0,1]=4 767 B5R0.2 CCOCCBr B152837 [2,0,0,0,0,0|2,0,0]=4 768 B5R0.2 CCOCCCl C153264 [2,0,0,0,0,0|2,0,0]=4 769 B5R0.2 CCOCCN E156296 [2,0,0,0,0,0|2,0,0]=4 770 B5R0.2 CCOCCO E110821 [2,0,0,0,0,0|2,0,0]=4 771 B5R0.2 CCOCCO E110822 [2,0,0,0,0,0|2,0,0]=4 772 B5R0.2 CCOCCO E118463 [2,0,0,0,0,0|2,0,0]=4 773 B5R0.2 CCSCCCl C102885 [2,0,0,0,0,0|2,0,0]=4 774 B5R0.2 CCSCCN E170901 [2,0,0,0,0,0|2,0,0]=4 775 B5R0.2 CCSCCN E300178 [2,0,0,0,0,0|2,0,0]=4 776 B5R0.2 CCSCCO E156428 [2,0,0,0,0,0|2,0,0]=4 777 B5R0.2 CCSSCC D140646 [2,0,0,0,0,0|2,0,0]=4 778 B5R0.2 CC[Se][Se]CC D155798 [2,0,0,0,0,0|2,0,0]=4 779 B5R0.2 CNCCCN N104493 [2,0,0,0,0,0|2,0,0]=4 780 B5R0.2 CNCCCO M133702 [2,0,0,0,0,0|2,0,0]=4 781 B5R0.2 CNCCNC D106275 [2,0,0,0,0,0|2,0,0]=4 782 B5R0.2 CNCCOC N159090 [2,0,0,0,0,0|2,0,0]=4 783 B5R0.2 COCCCBr B136284 [2,0,0,0,0,0|2,0,0]=4 784 B5R0.2 COCCCCl C108061 [2,0,0,0,0,0|2,0,0]=4 785 B5R0.2 COCCCN M134485 [2,0,0,0,0,0|2,0,0]=4 786 B5R0.2 COCCCN M587821 [2,0,0,0,0,0|2,0,0]=4 787 B5R0.2 COCCCO M107732 [2,0,0,0,0,0|2,0,0]=4 788 B5R0.2 COCCOC D299631 [2,0,0,0,0,0|2,0,0]=4 789 B5R0.2 COCCOC E104387 [2,0,0,0,0,0|2,0,0]=4 790 B5R0.2 COCCOC E104388 [2,0,0,0,0,0|2,0,0]=4 791 B5R0.2 COCCOC E104391 [2,0,0,0,0,0|2,0,0]=4 792 B5R0.2 COCCOC E119676 [2,0,0,0,0,0|2,0,0]=4 793 B5R0.2 COCCOC I282413 [2,0,0,0,0,0|2,0,0]=4 794 B5R0.2 COCCOC P107530 [2,0,0,0,0,0|2,0,0]=4 795 B5R0.2 COCCOC P432396 [2,0,0,0,0,0|2,0,0]=4 796 B5R0.2 COCCOC P432397 [2,0,0,0,0,0|2,0,0]=4 797 B5R0.2 COCCOC P432398 [2,0,0,0,0,0|2,0,0]=4 798 B5R0.2 CSCCC=O M109548 [2,0,0,0,0,0|1,0,0]=3 799 B5R0.2 CSCCCN M158420 [2,0,0,0,0,0|2,0,0]=4 800 B5R0.2 CSCCCO M102967 [2,0,0,0,0,0|2,0,0]=4 801 B5R0.2 OCCCCO P487355 [2,0,0,0,0,0|2,0,0]=4 802 B5R0.3 C(C(=O)CBr)Br D139292 [2,0,0,0,0,0|2,0,0]=4 803 B5R0.3 CCC(=C)CC E156179 [2,0,0,0,0,0|1,0,0]=3 804 B5R0.3 CCC(=CC)C T162381 [2,0,0,0,0,0|1,0,1]=4 805 B5R0.3 CCC(=O)CC P103791 [2,0,0,0,0,0|0,0,0]=2 806 B5R0.3 CCC(=O)CC P103792 [2,0,0,0,0,0|0,0,0]=2 807 B5R0.3 CCC(=O)CC P103794 [2,0,0,0,0,0|0,0,0]=2 808 B5R0.3 CCC(=O)CO H193640 [2,0,0,0,0,0|1,0,0]=3 809 B5R0.3 CCC(=O)NC N159394 [2,0,0,0,0,0|1,0,0]=3 810 B5R0.3 CCC(=O)NN P342062 [2,0,0,0,0,0|2,0,0]=4 811 B5R0.3 CCC(=O)OC M110420 [2,0,0,0,0,0|1,0,0]=3 812 B5R0.3 CCC(=O)OC M110421 [2,0,0,0,0,0|1,0,0]=3 813 B5R0.3 CCC(=O)OC M110422 [2,0,0,0,0,0|1,0,0]=3 814 B5R0.3 CCC(=O)OC M491732 [2,0,0,0,0,0|1,0,0]=3 815 B5R0.3 CCC(=O)SC S404755 [2,0,0,0,0,0|1,0,0]=3 816 B5R0.3 CCC(C)CC M109051 [2,0,0,0,0,0|1,0,1]=4 817 B5R0.3 CCC(C)CC M109052 [2,0,0,0,0,0|1,0,1]=4 818 B5R0.3 CCC(CC)Br B106965 [2,0,0,0,0,0|1,0,1]=4 819 B5R0.3 CCC(CC)N A133949 [2,0,0,0,0,0|1,0,1]=4 820 B5R0.3 CCC(CC)O P109359 [2,0,0,0,0,0|0,0,2]=4 821 B5R0.3 CCN(C)CC N159249 [2,0,0,0,0,0|2,0,0]=4 822 B5R0.3 CCN(CC)O D109383 [2,0,0,0,0,0|1,0,1]=4 823 B5R0.3 CCN(CC)O N432573 [2,0,0,0,0,0|1,0,1]=4 824 B5R0.3 CCS(=O)CC E589941 [2,0,0,0,0,0|1,0,0]=3 825 B5R0.3 CC[P+](=O)CC D332476 [2,0,0,0,0,0|1,0,0]=3 826 B5R0.3 CC[Si](C)CC D337339 [2,0,0,0,0,0|1,1,0]=4 827 B5R0.3 CNC(=O)CBr B588815 [2,0,0,0,0,0|2,0,0]=4 828 B5R0.3 CNC(=O)CCl C124467 [2,0,0,0,0,0|2,0,0]=4 829 B5R0.3 CNC(=O)CN A182951 [2,0,0,0,0,0|2,0,0]=4 830 B5R0.3 CNC(=O)CS M124593 [2,0,0,0,0,0|2,0,0]=4 831 B5R0.3 CNC(=O)NC D104702 [2,0,0,0,0,0|2,0,0]=4 832 B5R0.3 COC(=O)CBr M106900 [2,0,0,0,0,0|2,0,0]=4 833 B5R0.3 COC(=O)CCl M104120 [2,0,0,0,0,0|2,0,0]=4 834 B5R0.3 COC(=O)CCl M104121 [2,0,0,0,0,0|2,0,0]=4 835 B5R0.3 COC(=O)CCl M305846 [2,0,0,0,0,0|2,0,0]=4 836 B5R0.3 COC(=O)CN G105475 [2,0,0,0,0,0|2,0,0]=4 837 B5R0.3 COC(=O)CO M101718 [2,0,0,0,0,0|2,0,0]=4 838 B5R0.3 COC(=O)CS M103140 [2,0,0,0,0,0|2,0,0]=4 839 B5R0.3 COC(=O)OC D110623 [2,0,0,0,0,0|2,0,0]=4 840 B5R0.3 COC(=O)OC D110625 [2,0,0,0,0,0|2,0,0]=4 841 B5R0.3 COC(=O)OC D119695 [2,0,0,0,0,0|2,0,0]=4 842 B5R0.3 COC(=O)OC D294884 [2,0,0,0,0,0|2,0,0]=4 843 B5R0.3 COC(=O)OC D433121 [2,0,0,0,0,0|2,0,0]=4 844 B5R0.3 COC(=O)OC D433122 [2,0,0,0,0,0|2,0,0]=4 845 B5R0.3 COC(=O)OC D433123 [2,0,0,0,0,0|2,0,0]=4 846 B7R0.2 CC(=O)CC(=O)OC M108598 [1,1,0,0,0,0|1,0,1]=4 847 B7R0.2 CC(=O)CC(=O)OC M108599 [1,1,0,0,0,0|1,0,1]=4 848 B7R0.2 CC(=O)CC(=O)OC M108601 [1,1,0,0,0,0|1,0,1]=4 849 B7R0.2 CC(C)CC(=O)OC M157988 [1,1,0,0,0,0|1,0,0]=3 850 B7R0.2 CC(C)NC(=O)CBr B194928 [1,1,0,0,0,0|2,0,0]=4 851 B7R0.2 CC(C)OC(=O)CCl I157694 [1,1,0,0,0,0|2,0,0]=4 852 B7R0.2 CC(CC(=O)OC)N R190811 [1,1,0,0,0,0|1,0,0]=3 853 B7R0.2 CC(CC(=O)OC)N S587134 [1,1,0,0,0,0|1,0,0]=3 854 B7R0.2 CC(CC(=O)OC)O H124084 [1,1,0,0,0,0|1,0,0]=3 855 B7R0.2 CC(CC(=O)OC)O H124101 [1,1,0,0,0,0|1,0,0]=3 856 B7R0.2 CCC(=O)CC(=O)C H192611 [1,1,0,0,0,0|0,0,1]=3 857 B7R0.2 CCC(=O)CC(C)C E156458 [1,1,0,0,0,0|0,0,0]=2 858 B7R0.2 CCC(=O)OC(C)C I157496 [1,1,0,0,0,0|1,0,0]=3 859 B7R0.2 CCC(C)CC(C)C D155187 [1,1,0,0,0,0|1,0,1]=4 860 B7R0.2 CCC(C)CC(C)N D135535 [1,1,0,0,0,0|1,0,1]=4 861 B7R0.2 CN(C)CC(=O)OC N304465 [1,1,0,0,0,0|2,0,0]=4 862 B7R0.5 CCCC(=O)C(=O)C H106696 [1,1,0,0,0,0|0,0,1]=3 863 B7R0.5 CCCC(=O)C(=O)O O159954 [1,1,0,0,0,0|1,0,1]=4 864 B7R0.5 CCCC(C)C(C)C D155209 [1,1,0,0,0,0|1,0,1]=4 865 B7R0.5 CCOC(=O)C(=C)C E103001 [1,1,0,0,0,0|1,0,1]=4 866 B7R0.5 CCOC(=O)C(=C)C E103002 [1,1,0,0,0,0|1,0,1]=4 867 B7R0.5 CCOC(=O)C(=C)C E492609 [1,1,0,0,0,0|1,0,1]=4 868 B7R0.5 CCOC(=O)C(=O)C E113332 [1,1,0,0,0,0|1,0,1]=4 869 B7R0.5 CCOC(=O)C(Br)Br E331036 [1,1,0,0,0,0|2,0,0]=4 870 B7R0.5 CCOC(=O)C(C)Br E106089 [1,1,0,0,0,0|1,0,0]=3 871 B7R0.5 CCOC(=O)C(C)Br E400066 [1,1,0,0,0,0|1,0,0]=3 872 B7R0.5 CCOC(=O)C(C)C E156123 [1,1,0,0,0,0|1,0,0]=3 873 B7R0.5 CCOC(=O)C(C)Cl E100647 [1,1,0,0,0,0|1,0,0]=3 874 B7R0.5 CCOC(=O)C(C)F E135615 [1,1,0,0,0,0|1,0,0]=3 875 B7R0.5 CCOC(=O)C(C)I E156364 [1,1,0,0,0,0|1,0,0]=3 876 B7R0.5 CCOC(=O)C(C)N A109010 [1,1,0,0,0,0|1,0,0]=3 877 B7R0.5 CCOC(=O)C(C)N A117183 [1,1,0,0,0,0|1,0,0]=3 878 B7R0.5 CCOC(=O)C(C)N D304158 [1,1,0,0,0,0|1,0,0]=3 879 B7R0.5 CCOC(=O)C(C)O E104551 [1,1,0,0,0,0|1,0,0]=3 880 B7R0.5 CCOC(=O)C(C)O E104553 [1,1,0,0,0,0|1,0,0]=3 881 B7R0.5 CCOC(=O)C(C)O E104554 [1,1,0,0,0,0|1,0,0]=3 882 B7R0.5 CCOC(=O)C(C)O E108228 [1,1,0,0,0,0|1,0,0]=3 883 B7R0.5 CCOC(=O)C(C)O E108230 [1,1,0,0,0,0|1,0,0]=3 884 B7R0.5 CCOC(=O)C(C)O E465744 [1,1,0,0,0,0|1,0,0]=3 885 B7R0.5 CCOC(=O)C(C)S E156189 [1,1,0,0,0,0|1,0,0]=3 886 B7R0.5 CCOC(=O)C(Cl)Cl E193802 [1,1,0,0,0,0|2,0,0]=4 887 B7R0.5 CCOC(=O)C(F)Br E102105 [1,1,0,0,0,0|2,0,0]=4 888 B7R0.5 CCOC(=O)C(F)Cl E138797 [1,1,0,0,0,0|2,0,0]=4 889 B7R0.5 CCOC(=O)C(F)F E101733 [1,1,0,0,0,0|2,0,0]=4 890 B7R0.5 CCOC(=O)C(F)F E616466 [1,1,0,0,0,0|2,0,0]=4 891 B7R0.5 CCOC(=O)C(F)I E331038 [1,1,0,0,0,0|2,0,0]=4 892 B7R0.5 CN(C)C(=O)COC M589066 [1,1,0,0,0,0|2,0,0]=4 893 B7R0.7 CCCC(=O)CCC H103840 [1,1,0,0,0,0|0,0,0]=2 894 B7R0.7 CCCC(=O)CCC H103841 [1,1,0,0,0,0|0,0,0]=2 895 B7R0.7 CCCC(=O)OC=C V162944 [1,1,0,0,0,0|0,0,2]=4 896 B7R0.7 CCCC(=O)OCC E101116 [1,1,0,0,0,0|0,0,0]=2 897 B7R0.7 CCCC(=O)OCC E101117 [1,1,0,0,0,0|0,0,0]=2 898 B7R0.7 CCCC(=O)OCC E101119 [1,1,0,0,0,0|0,0,0]=2 899 B7R0.7 CCCC(=O)OCCl C153957 [1,1,0,0,0,0|1,0,0]=3 900 B7R0.7 CCCC(C)CCC M113651 [1,1,0,0,0,0|1,0,1]=4 901 B7R0.7 CCCC(CCC)N H156930 [1,1,0,0,0,0|1,0,1]=4 902 B7R0.7 CCCC(CCC)O H156873 [1,1,0,0,0,0|0,0,2]=4 903 B7R0.7 CCCC(CCO)S M102905 [1,1,0,0,0,0|0,1,1]=4 904 B7R0.7 CCCN(C)CCC I169711 [1,1,0,0,0,0|2,0,0]=4 905 B7R0.7 CCNC(=O)CC#N C181647 [1,1,0,0,0,0|1,0,1]=4 906 B7R0.7 CCNC(=O)NCC D108032 [1,1,0,0,0,0|1,0,0]=3 907 B7R0.7 CCNC(=S)NCC D154883 [1,1,0,0,0,0|1,1,0]=4 908 B7R0.7 CCOC(=O)C#CC E106247 [1,1,0,0,0,0|0,0,2]=4 909 B7R0.7 CCOC(=O)C=CC E156252 [1,1,0,0,0,0|0,0,2]=4 910 B7R0.7 CCOC(=O)CC#N E105739 [1,1,0,0,0,0|1,0,1]=4 911 B7R0.7 CCOC(=O)CC#N E105740 [1,1,0,0,0,0|1,0,1]=4 912 B7R0.7 CCOC(=O)CC=C E587504 [1,1,0,0,0,0|0,0,2]=4 913 B7R0.7 CCOC(=O)CCBr E106956 [1,1,0,0,0,0|1,0,0]=3 914 B7R0.7 CCOC(=O)CCCl E100652 [1,1,0,0,0,0|1,0,0]=3 915 B7R0.7 CCOC(=O)CCI E185756 [1,1,0,0,0,0|1,0,0]=3 916 B7R0.7 CCOC(=O)CCN A100434 [1,1,0,0,0,0|1,0,0]=3 917 B7R0.7 CCOC(=O)CCO E185621 [1,1,0,0,0,0|1,0,0]=3 918 B7R0.7 CCOC(=O)CCS E119585 [1,1,0,0,0,0|1,0,0]=3 919 B7R0.7 CCOC(=O)CC[CH2-] E465885 [1,1,0,0,0,0|0,0,1]=3 920 B7R0.7 CCOC(=O)CNC E115901 [1,1,0,0,0,0|1,0,0]=3 921 B7R0.7 CCOC(=O)CNN E134414 [1,1,0,0,0,0|2,0,0]=4 922 B7R0.7 CCOC(=O)COC E136304 [1,1,0,0,0,0|1,0,0]=3 923 B7R0.7 CCOC(=O)CSC E156475 [1,1,0,0,0,0|1,0,0]=3 924 B7R0.7 CCOC(=O)C[N+]#[C-] E156037 [1,1,0,0,0,0|1,0,1]=4 925 B7R0.7 CCOC(=O)C[N+]#[C-] E400243 [1,1,0,0,0,0|1,0,1]=4 926 B7R0.7 CCOC(=O)OCC D103040 [1,1,0,0,0,0|1,0,0]=3 927 B7R0.7 CCOC(=O)OCCl C192930 [1,1,0,0,0,0|2,0,0]=4 928 B7R0.7 CCOS(=O)OCC D122901 [1,1,0,0,0,0|2,0,0]=4 929 B7R0.7 CCO[P+](=O)OCC D109100 [1,1,0,0,0,0|2,0,0]=4 930 B7R0.10 CC(C(=O)OC)NC S587983 [1,1,0,0,0,0|2,0,0]=4 931 B7R0.10 CC(CBr)C(=O)OC M158847 [1,1,0,0,0,0|2,0,0]=4 932 B7R0.10 CC(CBr)C(=O)OC M409449 [1,1,0,0,0,0|2,0,0]=4 933 B7R0.10 CC(CO)C(=O)OC M589106 [1,1,0,0,0,0|2,0,0]=4 934 B7R0.10 CC(CO)C(=O)OC R136025 [1,1,0,0,0,0|2,0,0]=4 935 B7R0.10 CC(CO)C(=O)OC S133601 [1,1,0,0,0,0|2,0,0]=4 936 B7R0.10 CCC(=O)C(=O)CC H102539 [1,1,0,0,0,0|0,0,1]=3 937 B7R0.10 CCC(=O)N(C)OC N404710 [1,1,0,0,0,0|2,0,0]=4 938 B7R0.10 CCC(C(=O)CC)O P121219 [1,1,0,0,0,0|0,0,0]=2 939 B7R0.10 CCC(C(=O)OC)Br M110203 [1,1,0,0,0,0|1,0,0]=3 940 B7R0.10 CCC(C(=O)OC)N D134538 [1,1,0,0,0,0|1,0,0]=3 941 B7R0.10 CCC(C(=O)OC)N S304011 [1,1,0,0,0,0|1,0,0]=3 942 B7R0.10 CCC(C(=O)OC)O M588620 [1,1,0,0,0,0|1,0,0]=3 943 B7R0.10 CCC(C(=O)OC)O M590030 [1,1,0,0,0,0|1,0,0]=3 944 B7R0.10 CCC(C(=O)OC)O R590029 [1,1,0,0,0,0|1,0,0]=3 945 B7R0.10 CCC(C)C(=O)OC M157989 [1,1,0,0,0,0|1,0,0]=3 946 B7R0.10 COC(=O)C(CBr)Br M167887 [1,1,0,0,0,0|2,0,0]=4 947 B7R0.10 COC(=O)C(CCl)Cl M121841 [1,1,0,0,0,0|2,0,0]=4 948 B7R0.10 COC(=O)C(CCl)N M588771 [1,1,0,0,0,0|2,0,0]=4 949 B7R0.10 COC(=O)C(CCl)N S134256 [1,1,0,0,0,0|2,0,0]=4 950 B7R0.10 COC(=O)C(CO)N S101064 [1,1,0,0,0,0|2,0,0]=4 951 B7R0.10 COC(=O)C(CO)N S109008 [1,1,0,0,0,0|2,0,0]=4 952 B7R0.10 COC(=O)C(CO)N S117181 [1,1,0,0,0,0|2,0,0]=4 953 B7R0.10 COC(=O)C(CO)O R587787 [1,1,0,0,0,0|2,0,0]=4 954 B7R0.10 COC(=O)C(CO)O S178884 [1,1,0,0,0,0|2,0,0]=4 955 B7R0.10 COC(=O)C(CS)N C105474 [1,1,0,0,0,0|2,0,0]=4 956 B7R0.10 COC(=O)C(CS)N S133993 [1,1,0,0,0,0|2,0,0]=4 957 B7R0.12 CCN(CCO)N=O N158964 [1,1,0,0,0,0|2,0,0]=4 958 B7R0.4 C#CCCCC(=O)O H111132 [1,1,0,0,0,0|1,0,1]=4 959 B7R0.4 C(CC#N)CC(=O)O C184246 [1,1,0,0,0,0|1,0,1]=4 960 B7R0.4 C(CCBr)CC(=O)Cl B138857 [1,1,0,0,0,0|1,0,0]=3 961 B7R0.4 C(CCBr)CC(=O)O B106966 [1,1,0,0,0,0|1,0,0]=3 962 B7R0.4 C(CCCl)CC(=O)Cl C102473 [1,1,0,0,0,0|1,0,0]=3 963 B7R0.4 C(CCCl)CC(=O)O C153468 [1,1,0,0,0,0|1,0,0]=3 964 B7R0.4 C(CCN)CC(=O)O A107493 [1,1,0,0,0,0|1,0,0]=3 965 B7R0.4 C(CCN)CC(=O)O A151151 [1,1,0,0,0,0|1,0,0]=3 966 B7R0.4 C(CCN)CC(=O)O A151349 [1,1,0,0,0,0|1,0,0]=3 967 B7R0.4 C(CCN)CC(=O)O A491891 [1,1,0,0,0,0|1,0,0]=3 968 B7R0.4 C(CCN)CC(=O)O A491894 [1,1,0,0,0,0|1,0,0]=3 969 B7R0.4 C(CCO)CC(=O)[O-] H184096 [1,1,0,0,0,0|1,0,0]=3 970 B7R0.4 C(CCl)OCC(=O)N C193030 [1,1,0,0,0,0|2,0,0]=4 971 B7R0.4 C(CNCC(=O)O)N A124646 [1,1,0,0,0,0|2,0,0]=4 972 B7R0.4 C=CCCCC(=O)O H157078 [1,1,0,0,0,0|1,0,1]=4 973 B7R0.4 CC(=O)CCCC#N K157732 [1,1,0,0,0,0|0,0,1]=3 974 B7R0.4 CC(=O)CCCCCl C108058 [1,1,0,0,0,0|0,0,0]=2 975 B7R0.4 CC(=O)OCCCCl C135233 [1,1,0,0,0,0|1,0,0]=3 976 B7R0.4 CC(=O)OCCOC M106167 [1,1,0,0,0,0|1,0,0]=3 977 B7R0.4 CC(=O)SCCCBr B333089 [1,1,0,0,0,0|1,0,0]=3 978 B7R0.4 CC(CCCCO)O H474422 [1,1,0,0,0,0|0,0,2]=4 979 B7R0.4 CCC=CCC(=O)O H101494 [1,1,0,0,0,0|1,0,1]=4 980 B7R0.4 CCCC=CC(=O)C H156932 [1,1,0,0,0,0|0,0,1]=3 981 B7R0.4 CCCC=CC(=O)O H107513 [1,1,0,0,0,0|1,0,1]=4 982 B7R0.4 CCCC=CC(=O)O H400070 [1,1,0,0,0,0|1,0,1]=4 983 B7R0.4 CCCCCC(=C)C M158504 [1,1,0,0,0,0|1,0,0]=3 984 B7R0.4 CCCCCC(=O)C H103803 [1,1,0,0,0,0|0,0,0]=2 985 B7R0.4 CCCCCC(=O)C H103827 [1,1,0,0,0,0|0,0,0]=2 986 B7R0.4 CCCCCC(=O)Cl H102419 [1,1,0,0,0,0|1,0,0]=3 987 B7R0.4 CCCCCC(=O)Cl H130076 [1,1,0,0,0,0|1,0,0]=3 988 B7R0.4 CCCCCC(=O)N H157108 [1,1,0,0,0,0|1,0,0]=3 989 B7R0.4 CCCCCC(=O)O H103630 [1,1,0,0,0,0|1,0,0]=3 990 B7R0.4 CCCCCC(=O)O H103631 [1,1,0,0,0,0|1,0,0]=3 991 B7R0.4 CCCCCC(=O)O H103632 [1,1,0,0,0,0|1,0,0]=3 992 B7R0.4 CCCCCC(=O)O H278778 [1,1,0,0,0,0|1,0,0]=3 993 B7R0.4 CCCCCC(=O)O H432079 [1,1,0,0,0,0|1,0,0]=3 994 B7R0.4 CCCCCC(=O)[O-] S161313 [1,1,0,0,0,0|1,0,0]=3 995 B7R0.4 CCCCCC(C)C M113649 [1,1,0,0,0,0|1,0,1]=4 996 B7R0.4 CCCCCC(C)C M406726 [1,1,0,0,0,0|1,0,1]=4 997 B7R0.4 CCCCCC(C)N A166657 [1,1,0,0,0,0|1,0,1]=4 998 B7R0.4 CCCCCC(C)N A421028 [1,1,0,0,0,0|1,0,1]=4 999 B7R0.4 CCCCCC(C)N S474322 [1,1,0,0,0,0|1,0,1]=4 1000 B7R0.4 CCCCCC(C)O H100747 [1,1,0,0,0,0|0,0,2]=4 1001 B7R0.4 CCCCCC(C)O I137289 [1,1,0,0,0,0|0,0,2]=4 1002 B7R0.4 CCCCNC(=O)N B152704 [1,1,0,0,0,0|1,0,0]=3 1003 B7R0.4 CCCCNC(=S)N B181673 [1,1,0,0,0,0|1,1,0]=4 1004 B7R0.4 CCCCOC(=O)C B116224 [1,1,0,0,0,0|0,0,0]=2 1005 B7R0.4 CCCCOC(=O)C B116225 [1,1,0,0,0,0|0,0,0]=2 1006 B7R0.4 CCCCOC(=O)C B116227 [1,1,0,0,0,0|0,0,0]=2 1007 B7R0.4 CCCCOC(=O)C B116228 [1,1,0,0,0,0|0,0,0]=2 1008 B7R0.4 CCCCOC(=O)C B119685 [1,1,0,0,0,0|0,0,0]=2 1009 B7R0.4 CCCCOC(=O)N B152422 [1,1,0,0,0,0|1,0,0]=3 1010 B7R0.4 CCCCOC(=S)[S-] P160349 [1,1,0,0,0,0|1,1,0]=4 1011 B7R0.4 CCCCO[N+](=O)[O-] N334844 [1,1,0,0,0,0|2,0,0]=4 1012 B7R0.4 CCCOCC(C)O P160113 [1,1,0,0,0,0|0,0,2]=4 1013 B7R0.4 CCNCCN(C)C I166658 [1,1,0,0,0,0|2,0,0]=4 1014 B7R0.4 CCOCCC(=O)C E156453 [1,1,0,0,0,0|0,0,0]=2 1015 B7R0.4 CCOCCC(=O)O E156172 [1,1,0,0,0,0|1,0,0]=3 1016 B7R0.4 CN(C)CCCCN B301211 [1,1,0,0,0,0|2,0,0]=4 1017 B7R0.4 CNCCCC(=O)O M276212 [1,1,0,0,0,0|1,0,0]=3 1018 B7R0.4 CNCCCC(=O)O M397624 [1,1,0,0,0,0|1,0,0]=3 1019 B7R0.4 CNCCCN(C)C I170434 [1,1,0,0,0,0|2,0,0]=4 1020 B7R0.4 COCCCC(=O)O M192558 [1,1,0,0,0,0|1,0,0]=3 1021 B7R0.4 COCCOC(=O)Cl M158778 [1,1,0,0,0,0|2,0,0]=4 1022 B7R0.4 [CH]CCCCC(=O)[N] P111447 [1,1,0,0,0,0|1,0,0]=3 1023 B7R0.4 [CH]CCCCC(=O)[N] P128923 [1,1,0,0,0,0|1,0,0]=3 1024 B7R0.6 CC(=C)CCC(=C)C D155280 [1,1,0,0,0,0|1,0,1]=4 1025 B7R0.6 CC(=C)COC(=O)C M158238 [1,1,0,0,0,0|1,0,1]=4 1026 B7R0.6 CC(=O)CCC(=O)C H106697 [1,1,0,0,0,0|0,0,1]=3 1027 B7R0.6 CC(=O)CCC(=O)C H106698 [1,1,0,0,0,0|0,0,1]=3 1028 B7R0.6 CC(=O)CCC(=O)C H106699 [1,1,0,0,0,0|0,0,1]=3 1029 B7R0.6 CC(=O)CCC(=O)O L104281 [1,1,0,0,0,0|1,0,1]=4 1030 B7R0.6 CC(=O)CCC(=O)O L278641 [1,1,0,0,0,0|1,0,1]=4 1031 B7R0.6 CC(=O)CCC(=O)O L298748 [1,1,0,0,0,0|1,0,1]=4 1032 B7R0.6 CC(=O)CCC(=O)O L421026 [1,1,0,0,0,0|1,0,1]=4 1033 B7R0.6 CC(=O)COC(=O)C A151657 [1,1,0,0,0,0|1,0,1]=4 1034 B7R0.6 CC(=O)OCC(F)F D154397 [1,1,0,0,0,0|2,0,0]=4 1035 B7R0.6 CC(C)C=CC(=O)C M170732 [1,1,0,0,0,0|0,0,2]=4 1036 B7R0.6 CC(C)CC=C(C)C D155272 [1,1,0,0,0,0|1,0,1]=4 1037 B7R0.6 CC(C)CCC(=C)C D155278 [1,1,0,0,0,0|1,0,0]=3 1038 B7R0.6 CC(C)CCC(=O)C M106666 [1,1,0,0,0,0|0,0,0]=2 1039 B7R0.6 CC(C)CCC(=O)Cl M158759 [1,1,0,0,0,0|1,0,0]=3 1040 B7R0.6 CC(C)CCC(=O)O M117869 [1,1,0,0,0,0|1,0,0]=3 1041 B7R0.6 CC(C)CCC(C)C D155219 [1,1,0,0,0,0|1,0,1]=4 1042 B7R0.6 CC(C)CCC(C)N W299301 [1,1,0,0,0,0|1,0,1]=4 1043 B7R0.6 CC(C)CCC(C)O M157779 [1,1,0,0,0,0|0,0,2]=4 1044 B7R0.6 CC(C)COC(=O)C I110418 [1,1,0,0,0,0|1,0,0]=3 1045 B7R0.6 CC(C)COC(=O)C I110419 [1,1,0,0,0,0|1,0,0]=3 1046 B7R0.6 CC(C)COC(=O)Cl I105738 [1,1,0,0,0,0|2,0,0]=4 1047 B7R0.6 CC(C)NNC(=O)C N193444 [1,1,0,0,0,0|2,0,0]=4 1048 B7R0.6 CC(CCC(C)O)O H157400 [1,1,0,0,0,0|0,0,2]=4 1049 B7R0.6 CC(CCC(C)O)O R160953 [1,1,0,0,0,0|0,0,2]=4 1050 B7R0.6 CC(CCC(C)O)O S133391 [1,1,0,0,0,0|0,0,2]=4 1051 B7R0.6 CN(C)CCC(=O)O D132248 [1,1,0,0,0,0|2,0,0]=4 1052 B7R0.6 C[S+](C)CCC(=O)O C153876 [1,1,0,0,0,0|2,0,0]=4 1053 B7R0.8 CCCCC(C)(C)C D106282 [1,1,0,0,0,0|1,0,1]=4 1054 B7R0.8 CCCCC(C)(C)O M157782 [1,1,0,0,0,0|0,0,2]=4 1055 B7R0.8 CCCCP(=O)(O)O B405418 [1,1,0,0,0,0|2,0,0]=4 1056 B7R0.8 CCCCS(=O)(=O)Cl B151910 [1,1,0,0,0,0|2,0,0]=4 1057 B7R0.8 CCCCS(=O)(=O)[O-] S112988 [1,1,0,0,0,0|2,0,0]=4 1058 B7R0.8 CCCCS(=O)(=O)[O-] S118662 [1,1,0,0,0,0|2,0,0]=4 1059 B7R0.8 CCCC[N+](C)(C)C B303274 [1,1,0,0,0,0|2,0,0]=4 1060 B7R0.8 CCCC[Si](C)(C)Cl B152689 [1,1,0,0,0,0|1,1,0]=4 1061 B7R0.8 CCCC[Si](C)(C)Cl B572936 [1,1,0,0,0,0|1,1,0]=4 1062 B7R0.8 CCCOS(=O)(=O)C P160510 [1,1,0,0,0,0|2,0,0]=4 1063 B7R0.8 CS(=O)(=O)CCCBr B493202 [1,1,0,0,0,0|2,0,0]=4 1064 B7R0.1 C(CCCBr)CCBr D106541 [1,1,0,0,0,0|1,0,1]=4 1065 B7R0.1 C(CCCBr)CCCl B111196 [1,1,0,0,0,0|1,0,1]=4 1066 B7R0.1 C(CCCBr)CCF B405383 [1,1,0,0,0,0|1,0,1]=4 1067 B7R0.1 C(CCCBr)CCO B138834 [1,1,0,0,0,0|1,0,1]=4 1068 B7R0.1 C(CCCBr)CCO S304692 [1,1,0,0,0,0|1,0,1]=4 1069 B7R0.1 C(CCCCl)CCCl D110131 [1,1,0,0,0,0|1,0,1]=4 1070 B7R0.1 C(CCCCl)CCO C109454 [1,1,0,0,0,0|1,0,1]=4 1071 B7R0.1 C(CCCI)CCCl C153665 [1,1,0,0,0,0|1,0,1]=4 1072 B7R0.1 C(CCCI)CCI D119377 [1,1,0,0,0,0|1,0,1]=4 1073 B7R0.1 C(CCCN)CCN D134228 [1,1,0,0,0,0|1,0,1]=4 1074 B7R0.1 C(CCCN)CCN H103908 [1,1,0,0,0,0|1,0,1]=4 1075 B7R0.1 C(CCCN)CCN H103909 [1,1,0,0,0,0|1,0,1]=4 1076 B7R0.1 C(CCCN)CCN H103910 [1,1,0,0,0,0|1,0,1]=4 1077 B7R0.1 C(CCCO)CCN A101232 [1,1,0,0,0,0|1,0,1]=4 1078 B7R0.1 C(CCCO)CCO H103707 [1,1,0,0,0,0|1,0,1]=4 1079 B7R0.1 C(CCCO)CCO H103708 [1,1,0,0,0,0|1,0,1]=4 1080 B7R0.1 C(CCCS)CCN A487010 [1,1,0,0,0,0|1,0,1]=4 1081 B7R0.1 C(CCCS)CCO M123042 [1,1,0,0,0,0|1,0,1]=4 1082 B7R0.1 C(CCCS)CCO M299208 [1,1,0,0,0,0|1,0,1]=4 1083 B7R0.1 C(CCCS)CCS H106695 [1,1,0,0,0,0|1,0,1]=4 1084 B7R0.1 C(CCC[NH3+])CC[NH3+] H292837 [1,1,0,0,0,0|1,0,1]=4 1085 B7R0.1 C(CCC[NH3+])CC[NH3+] H292848 [1,1,0,0,0,0|1,0,1]=4 1086 B7R0.1 C(CCC[NH3+])CC[NH3+] H492699 [1,1,0,0,0,0|1,0,1]=4 1087 B7R0.1 C(CN)CNCCO N184580 [1,1,0,0,0,0|2,0,0]=4 1088 B7R0.1 C(CN)CNCCS A134805 [1,1,0,0,0,0|2,0,0]=4 1089 B7R0.1 C(CNCCN)CO N159094 [1,1,0,0,0,0|2,0,0]=4 1090 B7R0.1 C(CO)C=CCCO H341806 [1,1,0,0,0,0|1,0,1]=4 1091 B7R0.1 CCC=CCCC=O C154040 [1,1,0,0,0,0|0,0,2]=4 1092 B7R0.1 CCC=CCCCO C153484 [1,1,0,0,0,0|0,0,1]=3 1093 B7R0.1 CCCC#CCCC O106927 [1,1,0,0,0,0|0,0,2]=4 1094 B7R0.1 CCCC#CCCO H157374 [1,1,0,0,0,0|0,0,2]=4 1095 B7R0.1 CCCC=CCCC C153585 [1,1,0,0,0,0|0,0,1]=3 1096 B7R0.1 CCCC=CCCC T161815 [1,1,0,0,0,0|0,0,1]=3 1097 B7R0.1 CCCC=CCCO C332847 [1,1,0,0,0,0|0,0,1]=3 1098 B7R0.1 CCCCC=CC=O T161484 [1,1,0,0,0,0|0,0,2]=4 1099 B7R0.1 CCCCC=CCC C153584 [1,1,0,0,0,0|0,0,0]=2 1100 B7R0.1 CCCCC=CCC T161817 [1,1,0,0,0,0|0,0,0]=2 1101 B7R0.1 CCCCC=CCO T161435 [1,1,0,0,0,0|0,0,1]=3 1102 B7R0.1 CCCCCC=CC C153583 [1,1,0,0,0,0|0,0,1]=3 1103 B7R0.1 CCCCCC=CC O159996 [1,1,0,0,0,0|0,0,1]=3 1104 B7R0.1 CCCCCC=CC T161814 [1,1,0,0,0,0|0,0,1]=3 1105 B7R0.1 CCCCCCC#C O109633 [1,1,0,0,0,0|0,0,2]=4 1106 B7R0.1 CCCCCCC#N H156965 [1,1,0,0,0,0|0,0,2]=4 1107 B7R0.1 CCCCCCC=C O108659 [1,1,0,0,0,0|0,0,2]=4 1108 B7R0.1 CCCCCCC=C O108660 [1,1,0,0,0,0|0,0,2]=4 1109 B7R0.1 CCCCCCC=O H105934 [1,1,0,0,0,0|0,0,2]=4 1110 B7R0.1 CCCCCCC=O H105935 [1,1,0,0,0,0|0,0,2]=4 1111 B7R0.1 CCCCCCCBr B109258 [1,1,0,0,0,0|0,0,1]=3 1112 B7R0.1 CCCCCCCC O100577 [1,1,0,0,0,0|0,0,1]=3 1113 B7R0.1 CCCCCCCC O100578 [1,1,0,0,0,0|0,0,1]=3 1114 B7R0.1 CCCCCCCC O100580 [1,1,0,0,0,0|0,0,1]=3 1115 B7R0.1 CCCCCCCC O100581 [1,1,0,0,0,0|0,0,1]=3 1116 B7R0.1 CCCCCCCC O119714 [1,1,0,0,0,0|0,0,1]=3 1117 B7R0.1 CCCCCCCCl C153657 [1,1,0,0,0,0|0,0,1]=3 1118 B7R0.1 CCCCCCCI I157581 [1,1,0,0,0,0|0,0,1]=3 1119 B7R0.1 CCCCCCCN H113175 [1,1,0,0,0,0|0,0,1]=3 1120 B7R0.1 CCCCCCCO H108210 [1,1,0,0,0,0|0,0,1]=3 1121 B7R0.1 CCCCCCCO H108211 [1,1,0,0,0,0|0,0,1]=3 1122 B7R0.1 CCCCCCCO H108212 [1,1,0,0,0,0|0,0,1]=3 1123 B7R0.1 CCCCCCCS H102322 [1,1,0,0,0,0|0,0,1]=3 1124 B7R0.1 CCCCCCNC N341547 [1,1,0,0,0,0|0,0,1]=3 1125 B7R0.1 CCCCCCOC H157292 [1,1,0,0,0,0|0,0,1]=3 1126 B7R0.1 CCCCNCCN N159361 [1,1,0,0,0,0|1,0,0]=3 1127 B7R0.1 CCCCNCCO B140397 [1,1,0,0,0,0|1,0,0]=3 1128 B7R0.1 CCCCNCCO B299088 [1,1,0,0,0,0|1,0,0]=3 1129 B7R0.1 CCCCNCCS B469395 [1,1,0,0,0,0|1,0,0]=3 1130 B7R0.1 CCCCOCC=C A151096 [1,1,0,0,0,0|1,0,1]=4 1131 B7R0.1 CCCCOCCCl B152831 [1,1,0,0,0,0|1,0,0]=3 1132 B7R0.1 CCCCOCCN B357161 [1,1,0,0,0,0|1,0,0]=3 1133 B7R0.1 CCCCOCCO E110823 [1,1,0,0,0,0|1,0,0]=3 1134 B7R0.1 CCCCOCCO E110827 [1,1,0,0,0,0|1,0,0]=3 1135 B7R0.1 CCCNCCCN I168897 [1,1,0,0,0,0|1,0,1]=4 1136 B7R0.1 CCCNCCOC N158962 [1,1,0,0,0,0|1,0,1]=4 1137 B7R0.1 CCCSSCCC D102910 [1,1,0,0,0,0|1,0,1]=4 1138 B7R0.1 CCNCCNCC N159359 [1,1,0,0,0,0|1,0,0]=3 1139 B7R0.1 CCOCCOCC E103986 [1,1,0,0,0,0|1,0,0]=3 1140 B7R0.1 CCOCCOCC E103987 [1,1,0,0,0,0|1,0,0]=3 1141 B7R0.1 CCOCCOCC E103989 [1,1,0,0,0,0|1,0,0]=3 1142 B7R0.1 COCCOCCBr B152835 [1,1,0,0,0,0|2,0,0]=4 1143 B7R0.1 COCCOCCI I586239 [1,1,0,0,0,0|2,0,0]=4 1144 B7R0.1 COCCOCCN M122033 [1,1,0,0,0,0|2,0,0]=4 1145 B7R0.1 COCCOCCO D104406 [1,1,0,0,0,0|2,0,0]=4 1146 B7R0.1 COCCOCCO D104407 [1,1,0,0,0,0|2,0,0]=4 1147 B7R0.1 COCCOCCO D104408 [1,1,0,0,0,0|2,0,0]=4 1148 B9R0.4 CCCOC(=O)CC(=O)C P160059 [0,2,0,0,0,0|1,0,0]=3 1149 B9R0.4 CCCOC(=O)CC(C)C D303979 [0,2,0,0,0,0|1,0,0]=3 1150 B9R0.5 CCC=CCC(=O)OCC E117700 [0,2,0,0,0,0|0,0,1]=3 1151 B9R0.5 CCCC=CC(=O)OCC E117526 [0,2,0,0,0,0|0,0,1]=3 1152 B9R0.5 CCCCCC(=O)CCC N158991 [0,2,0,0,0,0|0,0,0]=2 1153 B9R0.5 CCCCCC(=O)OC=C V162949 [0,2,0,0,0,0|0,0,2]=4 1154 B9R0.5 CCCCCC(=O)OCC E103497 [0,2,0,0,0,0|0,0,0]=2 1155 B9R0.5 CCCCCC(=O)OCC E103498 [0,2,0,0,0,0|0,0,0]=2 1156 B9R0.5 CCCCCC(=O)OCC E103499 [0,2,0,0,0,0|0,0,0]=2 1157 B9R0.5 CCCCCC(C)CCC M158520 [0,2,0,0,0,0|1,0,1]=4 1158 B9R0.5 CCCCOC(=O)C=CC B152883 [0,2,0,0,0,0|0,0,1]=3 1159 B9R0.5 CCCCOC(=O)C=CC B293404 [0,2,0,0,0,0|0,0,1]=3 1160 B9R0.5 CCCCOC(=O)CC#N B133488 [0,2,0,0,0,0|0,0,1]=3 1161 B9R0.5 CCCCOC(=O)CCC B103463 [0,2,0,0,0,0|0,0,0]=2 1162 B9R0.5 CCCCOC(=O)CCC B103464 [0,2,0,0,0,0|0,0,0]=2 1163 B9R0.5 CCCCOC(=O)CCS B340486 [0,2,0,0,0,0|0,0,0]=2 1164 B9R0.5 CCOC(=O)CCCCBr E156150 [0,2,0,0,0,0|0,0,0]=2 1165 B9R0.5 CCOC(=O)CCCCN E183506 [0,2,0,0,0,0|0,0,0]=2 1166 B9R0.5 CCOC(=O)CCN=C=O E170679 [0,2,0,0,0,0|1,0,1]=4 1167 B9R0.5 CCOC(=O)COCCCl E305168 [0,2,0,0,0,0|1,0,0]=3 1168 B9R0.5 CCOC=CC(=O)OCC E110293 [0,2,0,0,0,0|0,0,2]=4 1169 B9R0.5 CCOC=CC(=O)OCC E299465 [0,2,0,0,0,0|0,0,2]=4 1170 B9R0.5 CCOC=CC(=O)OCC E589599 [0,2,0,0,0,0|0,0,2]=4 1171 B9R0.5 CCOCCC(=O)OCC E108066 [0,2,0,0,0,0|0,0,0]=2 1172 B9R0.8 CCCCC(C(=O)OC)Br M111380 [0,2,0,0,0,0|1,0,0]=3 1173 B9R0.8 CCCCC(C(=O)OC)N D134849 [0,2,0,0,0,0|1,0,0]=3 1174 B9R0.8 CCCOC(=O)C(C)CC P160535 [0,2,0,0,0,0|1,0,0]=3 1175 B9R0.8 COC(=O)C(CCCBr)Br M184869 [0,2,0,0,0,0|1,0,0]=3 1176 B9R0.8 COC(=O)C(CCCN)N O116997 [0,2,0,0,0,0|1,0,0]=3 1177 B9R0.8 COC(=O)C(CCSC)N M109222 [0,2,0,0,0,0|1,0,0]=3 1178 B9R0.8 COC(=O)C(CCSC)N M587493 [0,2,0,0,0,0|1,0,0]=3 1179 B9R0.18 C(CC(=O)CCCCl)CCl D193277 [0,2,0,0,0,0|1,0,0]=3 1180 B9R0.18 CCCCC(=O)CCCC N102321 [0,2,0,0,0,0|0,0,0]=2 1181 B9R0.18 CCCCC(C)CCCC M158523 [0,2,0,0,0,0|1,0,1]=4 1182 B9R0.18 CCCCC(CCCC)O N159700 [0,2,0,0,0,0|0,0,2]=4 1183 B9R0.18 CCCCN(C)CCCC I169712 [0,2,0,0,0,0|2,0,0]=4 1184 B9R0.18 CCCCN(C)CCCC N494461 [0,2,0,0,0,0|2,0,0]=4 1185 B9R0.18 CCCCS(=O)CCCC D155298 [0,2,0,0,0,0|1,0,0]=3 1186 B9R0.18 CCCC[Sn](=O)CCCC D112984 [0,2,0,0,0,0|1,0,0]=3 1187 B9R0.18 CCCOC(=O)OCCC D107452 [0,2,0,0,0,0|1,0,0]=3 1188 B9R0.34 CCC(=O)CC(=O)OCC E122416 [0,2,0,0,0,0|0,0,1]=3 1189 B9R0.34 CCC(C)CC(=O)OCC E117866 [0,2,0,0,0,0|0,0,0]=2 1190 B9R0.34 CCC(C)OC(=O)C=CC S161086 [0,2,0,0,0,0|1,0,1]=4 1191 B9R0.34 CCCC(=O)CC(=O)OC M158148 [0,2,0,0,0,0|1,0,0]=3 1192 B9R0.34 CCCC(=O)OC(C)CC S161087 [0,2,0,0,0,0|1,0,0]=3 1193 B9R0.34 CCCC(C)CC(C)CC D155216 [0,2,0,0,0,0|1,0,1]=4 1194 B9R0.34 CCOC(=O)CC(=O)CCl E156137 [0,2,0,0,0,0|1,0,1]=4 1195 B9R0.34 CCOC(=O)CC(CCl)O C108078 [0,2,0,0,0,0|1,0,0]=3 1196 B9R0.34 CCOC(=O)CC(CCl)O C108079 [0,2,0,0,0,0|1,0,0]=3 1197 B9R0.34 COCC(=O)CC(=O)OC M119946 [0,2,0,0,0,0|1,0,1]=4 1198 B9R0.35 CCCC(C(=O)CCC)O H101582 [0,2,0,0,0,0|0,0,0]=2 1199 B9R0.35 CCCC(C(=O)OCC)Br E139089 [0,2,0,0,0,0|0,0,0]=2 1200 B9R0.35 CCCC(C(=O)OCC)N L135831 [0,2,0,0,0,0|0,0,0]=2 1201 B9R0.35 CCCC(C)C(=O)OCC E110162 [0,2,0,0,0,0|0,0,0]=2 1202 B9R0.35 CCOC(=N)C(=O)OCC E195169 [0,2,0,0,0,0|1,0,1]=4 1203 B9R0.35 CCOC(=O)C(=O)OCC D110943 [0,2,0,0,0,0|1,0,1]=4 1204 B9R0.35 CCOC(=O)C(=O)OCC D110944 [0,2,0,0,0,0|1,0,1]=4 1205 B9R0.35 CCOC(=O)C(=O)OCC D489097 [0,2,0,0,0,0|1,0,1]=4 1206 B9R0.48 CC(C)COC(=O)CC#N I157668 [0,2,0,0,0,0|1,0,1]=4 1207 B9R0.48 CC=CC(=O)OCC(C)C I157503 [0,2,0,0,0,0|1,0,1]=4 1208 B9R0.48 CCCC(=O)OCC(C)C I157497 [0,2,0,0,0,0|1,0,0]=3 1209 B9R0.48 CCOC(=O)CCC(=O)C E117674 [0,2,0,0,0,0|0,0,1]=3 1210 B9R0.48 CCOC(=O)CCC(=O)Cl E131894 [0,2,0,0,0,0|1,0,1]=4 1211 B9R0.48 CCOC(=O)CCC(=O)O M102994 [0,2,0,0,0,0|1,0,1]=4 1212 B9R0.48 CCOC(=O)CCC(C)C E169064 [0,2,0,0,0,0|0,0,0]=2 1213 B9R0.48 CCOC(=O)CNC(=O)C A109217 [0,2,0,0,0,0|1,0,1]=4 1214 B9R0.6 CCOC(=O)C(=O)C(C)Br B194008 [0,2,0,0,0,0|1,0,1]=4 1215 B9R0.6 CCOC(=O)C(=O)C(C)C E302716 [0,2,0,0,0,0|1,0,1]=4 1216 B9R0.23 CC(C)CC(C(=O)OC)N L109004 [0,2,0,0,0,0|1,0,0]=3 1217 B9R0.23 CC(C)CC(C(=O)OC)N L113357 [0,2,0,0,0,0|1,0,0]=3 1218 B9R0.27 C(C(C(C(=O)CO)O)O)O D333689 [0,2,0,0,0,0|2,0,0]=4 1219 B9R0.27 CCC(=O)C(C(=O)OC)F M404753 [0,2,0,0,0,0|1,0,1]=4 1220 B9R0.27 CCC(C)C(C(=O)OC)N I109005 [0,2,0,0,0,0|1,0,0]=3 1221 B9R0.27 CCC(C)C(C(=O)OC)N M169087 [0,2,0,0,0,0|1,0,0]=3 1222 B9R0.37 CCCC(C(CC)CO)O E106163 [0,2,0,0,0,0|0,0,2]=4 1223 B9R0.37 CCCC(C(CC)CO)O E106164 [0,2,0,0,0,0|0,0,2]=4 1224 B9R0.1 CC(=O)CCCC(=O)OC M299485 [0,2,0,0,0,0|1,0,0]=3 1225 B9R0.1 CC(C)CCOC(=O)C=C I157701 [0,2,0,0,0,0|0,0,2]=4 1226 B9R0.1 CCC(=O)OCCC(C)C I101112 [0,2,0,0,0,0|0,0,0]=2 1227 B9R0.1 CCC(C)CCCC(C)C D154774 [0,2,0,0,0,0|1,0,1]=4 1228 B9R0.1 COC(=O)CCCC(=O)Cl G104122 [0,2,0,0,0,0|1,0,1]=4 1229 B9R0.1 COC(=O)CCCC(=O)O M102986 [0,2,0,0,0,0|1,0,1]=4 1230 B9R0.1 COC(=O)CCC[N+](=O)[O-] N131960 [0,2,0,0,0,0|2,0,0]=4 1231 B9R0.24 CCC(CCC(CC)O)O R160954 [0,2,0,0,0,0|0,0,2]=4 1232 B9R0.24 COC(=O)CCC(=O)CN M158394 [0,2,0,0,0,0|1,0,1]=4 1233 B9R0.24 COC(=O)CCC(=O)CN M426001 [0,2,0,0,0,0|1,0,1]=4 1234 B9R0.24 COC(=O)CCC(=O)OC D103952 [0,2,0,0,0,0|1,0,1]=4 1235 B9R0.24 COC(=O)CCC(=O)OC D103953 [0,2,0,0,0,0|1,0,1]=4 1236 B9R0.46 C=CC(=O)OCCCCO H156908 [0,2,0,0,0,0|0,0,2]=4 1237 B9R0.46 CCCCCCC(=O)CC N158994 [0,2,0,0,0,0|0,0,0]=2 1238 B9R0.46 CCCCCCC(=O)OC M158054 [0,2,0,0,0,0|1,0,0]=3 1239 B9R0.46 CCCCCCC(=O)OC M158149 [0,2,0,0,0,0|1,0,0]=3 1240 B9R0.46 CCCCCCC(C)CC M158519 [0,2,0,0,0,0|1,0,1]=4 1241 B9R0.46 CCCCCCC(CC)O N159698 [0,2,0,0,0,0|0,0,2]=4 1242 B9R0.46 CCCCCOC(=O)C=C P588632 [0,2,0,0,0,0|0,0,2]=4 1243 B9R0.46 CCCCCOC(=O)CC P137733 [0,2,0,0,0,0|0,0,0]=2 1244 B9R0.46 CCOCCOC(=O)C=C E586300 [0,2,0,0,0,0|0,0,2]=4 1245 B9R0.46 COC(=O)CCCCCN M138421 [0,2,0,0,0,0|1,0,0]=3 1246 B9R0.46 COCCCNC(=O)C=C N477318 [0,2,0,0,0,0|0,0,2]=4 1247 B9R0.47 CC(=C)C(=O)NCCCN N129096 [0,2,0,0,0,0|1,0,1]=4 1248 B9R0.47 CC(=C)C(=O)OCCOC E102359 [0,2,0,0,0,0|1,0,1]=4 1249 B9R0.47 CC(=C)C(=O)OCCOC P109711 [0,2,0,0,0,0|1,0,1]=4 1250 B9R0.47 CC(=C)C(=O)OCCOC P432527 [0,2,0,0,0,0|1,0,1]=4 1251 B9R0.47 CC(=C)C(=O)OCCOC P432529 [0,2,0,0,0,0|1,0,1]=4 1252 B9R0.47 CC(=C)C(=O)OCCOC P432531 [0,2,0,0,0,0|1,0,1]=4 1253 B9R0.47 CC(=C)C(=O)OCCSC M468079 [0,2,0,0,0,0|1,0,1]=4 1254 B9R0.47 CCCCCC(=O)C(=O)C O589566 [0,2,0,0,0,0|0,0,1]=3 1255 B9R0.47 CCCCOC(=O)C(=C)C B110902 [0,2,0,0,0,0|0,0,1]=3 1256 B9R0.47 CCCCOC(=O)C(=C)C B110903 [0,2,0,0,0,0|0,0,1]=3 1257 B9R0.47 CCCCOC(=O)C(=C)C B110904 [0,2,0,0,0,0|0,0,1]=3 1258 B9R0.47 CCCCOC(=O)C(C)C B152857 [0,2,0,0,0,0|0,0,0]=2 1259 B9R0.47 CCCCOC(=O)C(C)O B111190 [0,2,0,0,0,0|0,0,0]=2 1260 B9R0.47 CCCCOC(=O)C(C)O B303494 [0,2,0,0,0,0|0,0,0]=2 1261 B9R0.50 CCCCOC(CC)CO P117874 [0,2,0,0,0,0|0,0,2]=4 1262 B9R0.50 CCCCOC(CC)CO P118599 [0,2,0,0,0,0|0,0,2]=4 1263 B9R0.50 CCCCOC(CC)CO P141386 [0,2,0,0,0,0|0,0,2]=4 1264 B9R0.50 CCCCOC(CC)CO P432410 [0,2,0,0,0,0|0,0,2]=4 1265 B9R0.50 CCN(CC)CCCCN D478917 [0,2,0,0,0,0|2,0,0]=4 1266 B9R0.50 CCNCCN(CC)CC N159371 [0,2,0,0,0,0|2,0,0]=4 1267 B9R0.3 CC(C)(C(=O)OCCO)Br H404582 [0,2,0,0,0,0|2,0,0]=4 1268 B9R0.7 CC(C)COC(=O)C(=C)C I106679 [0,2,0,0,0,0|1,0,1]=4 1269 B9R0.7 CC(C)COC(=O)C(=C)C I304907 [0,2,0,0,0,0|1,0,1]=4 1270 B9R0.7 CC(C)COC(=O)C(=C)C I401365 [0,2,0,0,0,0|1,0,1]=4 1271 B9R0.7 CC(C)COC(=O)C(C)C I105925 [0,2,0,0,0,0|1,0,0]=3 1272 B9R0.7 CC(C)COC(=O)C(C)O I469449 [0,2,0,0,0,0|1,0,0]=3 1273 B9R0.7 CC(CNC(=O)C(=C)C)O N404588 [0,2,0,0,0,0|1,0,1]=4 1274 B9R0.7 CC(COC(=O)C(=C)C)O H109880 [0,2,0,0,0,0|1,0,1]=4 1275 B9R0.13 CCCCC(CC)C(=O)Cl E139249 [0,2,0,0,0,0|0,0,1]=3 1276 B9R0.13 CCCCC(CC)C(=O)O E103541 [0,2,0,0,0,0|0,0,1]=3 1277 B9R0.13 CCCCC(CC)C(=O)O E103542 [0,2,0,0,0,0|0,0,1]=3 1278 B9R0.13 CCCCC(CC)C(=O)O E103543 [0,2,0,0,0,0|0,0,1]=3 1279 B9R0.13 CCCCC(CC)C(=O)O M282652 [0,2,0,0,0,0|0,0,1]=3 1280 B9R0.13 CCCCC(CC)C(=O)[O-] B133552 [0,2,0,0,0,0|0,0,1]=3 1281 B9R0.13 CCCCC(CC)C(=O)[O-] C189027 [0,2,0,0,0,0|0,0,1]=3 1282 B9R0.13 CCCCC(CC)C(=O)[O-] C282475 [0,2,0,0,0,0|0,0,1]=3 1283 B9R0.13 CCCCC(CC)C(=O)[O-] C303493 [0,2,0,0,0,0|0,0,1]=3 1284 B9R0.13 CCCCC(CC)C(=O)[O-] C304535 [0,2,0,0,0,0|0,0,1]=3 1285 B9R0.13 CCCCC(CC)C(=O)[O-] C419796 [0,2,0,0,0,0|0,0,1]=3 1286 B9R0.13 CCCCC(CC)C(=O)[O-] C472850 [0,2,0,0,0,0|0,0,1]=3 1287 B9R0.13 CCCCC(CC)C(=O)[O-] I304503 [0,2,0,0,0,0|0,0,1]=3 1288 B9R0.13 CCCCC(CC)C(=O)[O-] L283256 [0,2,0,0,0,0|0,0,1]=3 1289 B9R0.13 CCCCC(CC)C(=O)[O-] L283537 [0,2,0,0,0,0|0,0,1]=3 1290 B9R0.13 CCCCC(CC)C(=O)[O-] M283339 [0,2,0,0,0,0|0,0,1]=3 1291 B9R0.13 CCCCC(CC)C(=O)[O-] N283360 [0,2,0,0,0,0|0,0,1]=3 1292 B9R0.13 CCCCC(CC)C(=O)[O-] P160178 [0,2,0,0,0,0|0,0,1]=3 1293 B9R0.13 CCCCC(CC)C(=O)[O-] S133057 [0,2,0,0,0,0|0,0,1]=3 1294 B9R0.13 CCCCC(CC)C(=O)[O-] S282573 [0,2,0,0,0,0|0,0,1]=3 1295 B9R0.13 CCCCC(CC)C(=O)[O-] T100108 [0,2,0,0,0,0|0,0,1]=3 1296 B9R0.13 CCCCC(CC)C(=O)[O-] T333163 [0,2,0,0,0,0|0,0,1]=3 1297 B9R0.13 CCCCC(CC)C(=O)[O-] Z282550 [0,2,0,0,0,0|0,0,1]=3 1298 B9R0.13 CCCCC(CC)C(=O)[O-] Z283372 [0,2,0,0,0,0|0,0,1]=3 1299 B9R0.42 CC(C)C(=O)CC(=O)OC M106811 [0,2,0,0,0,0|1,0,1]=4 1300 B9R0.26 CCN(CC)CC(=O)OC N159623 [0,2,0,0,0,0|2,0,0]=4 1301 B9R0.26 COC(CC(=O)OC)OC M102770 [0,2,0,0,0,0|2,0,0]=4 1302 B7R1.1 CCC1=NCCN1 E156339 [1,0,0,1,0,0|2,0,0]=4 1303 B7R1.1 CCC1=NCCO1 E137961 [1,0,0,1,0,0|1,0,1]=4 1304 B7R1.1 CCC1=NCCO1 P303248 [1,0,0,1,0,0|1,0,1]=4 1305 B7R1.1 CCC1=NCCO1 P432473 [1,0,0,1,0,0|1,0,1]=4 1306 B7R1.1 CCC1=NCCO1 P432474 [1,0,0,1,0,0|1,0,1]=4 1307 B7R1.1 CCC1CCCC1 E156243 [1,0,0,1,0,0|1,0,1]=4 1308 B7R1.1 CCN1CCCC1 E156259 [1,0,0,1,0,0|2,0,0]=4 1309 B7R1.2 C1C(CNC1=O)N A587603 [1,0,0,1,0,0|2,0,0]=4 1310 B7R1.2 C1C(CNC1=O)O H119311 [1,0,0,1,0,0|2,0,0]=4 1311 B7R1.2 C1C(CNC1=O)O H119312 [1,0,0,1,0,0|2,0,0]=4 1312 B7R1.2 C1C(CNC1=O)O H183207 [1,0,0,1,0,0|2,0,0]=4 1313 B7R1.2 C1C(COC1=O)N R189910 [1,0,0,1,0,0|2,0,0]=4 1314 B7R1.2 C1C(COC1=O)N S189909 [1,0,0,1,0,0|2,0,0]=4 1315 B7R1.2 C1C(COC1=O)O H107941 [1,0,0,1,0,0|2,0,0]=4 1316 B7R1.2 C1CC(=O)CC1=O C138777 [1,0,0,1,0,0|1,0,1]=4 1317 B7R1.2 CC1=CC(=O)CC1 M109537 [1,0,0,1,0,0|0,0,2]=4 1318 B7R1.2 CC1CCC(=O)C1 M113659 [1,0,0,1,0,0|0,0,0]=2 1319 B7R1.2 CC1CCC(=O)N1 M158429 [1,0,0,1,0,0|1,0,0]=3 1320 B7R1.2 CC1CCC(=O)O1 V106294 [1,0,0,1,0,0|1,0,0]=3 1321 B7R1.2 CC1CCC(C1)O M351118 [1,0,0,1,0,0|0,0,2]=4 1322 B7R1.2 CC1COC(=O)O1 P105723 [1,0,0,1,0,0|2,0,0]=4 1323 B7R1.2 CC1COC(=O)O1 P105724 [1,0,0,1,0,0|2,0,0]=4 1324 B7R1.2 CC1COC(=O)O1 P105725 [1,0,0,1,0,0|2,0,0]=4 1325 B7R1.2 CC1COC(=O)O1 P105726 [1,0,0,1,0,0|2,0,0]=4 1326 B7R1.2 CC1COC(=O)O1 P122960 [1,0,0,1,0,0|2,0,0]=4 1327 B7R1.2 CC1COC(=O)O1 S135940 [1,0,0,1,0,0|2,0,0]=4 1328 B7R1.2 CN1CCC(=O)C1 M343187 [1,0,0,1,0,0|1,0,0]=3 1329 B7R1.3 C1CC(=O)CNC1 P301951 [1,0,0,1,0,0|1,0,0]=3 1330 B7R1.3 C1CC(=O)COC1 O175840 [1,0,0,1,0,0|1,0,0]=3 1331 B7R1.3 C1CCC(=O)CC1 C116449 [1,0,0,1,0,0|0,0,0]=2 1332 B7R1.3 C1CCC(=O)CC1 C116451 [1,0,0,1,0,0|0,0,0]=2 1333 B7R1.3 C1CCC(=O)CC1 C116453 [1,0,0,1,0,0|0,0,0]=2 1334 B7R1.3 C1CCC(=O)CC1 C116454 [1,0,0,1,0,0|0,0,0]=2 1335 B7R1.3 C1CCC(=O)CC1 C295202 [1,0,0,1,0,0|0,0,0]=2 1336 B7R1.3 C1CCC(=O)CC1 C471914 [1,0,0,1,0,0|0,0,0]=2 1337 B7R1.3 C1CCC(=O)CC1 C615386 [1,0,0,1,0,0|0,0,0]=2 1338 B7R1.3 C1CCC(CC1)Br B109675 [1,0,0,1,0,0|1,0,1]=4 1339 B7R1.3 C1CCC(CC1)Cl C106088 [1,0,0,1,0,0|1,0,1]=4 1340 B7R1.3 C1CCC(CC1)F F156720 [1,0,0,1,0,0|1,0,1]=4 1341 B7R1.3 C1CCC(CC1)I I157579 [1,0,0,1,0,0|1,0,1]=4 1342 B7R1.3 C1CCC(CC1)N C103892 [1,0,0,1,0,0|1,0,1]=4 1343 B7R1.3 C1CCC(CC1)N C105033 [1,0,0,1,0,0|1,0,1]=4 1344 B7R1.3 C1CCC(CC1)N C105034 [1,0,0,1,0,0|1,0,1]=4 1345 B7R1.3 C1CCC(CC1)N C105035 [1,0,0,1,0,0|1,0,1]=4 1346 B7R1.3 C1CCC(CC1)N C105036 [1,0,0,1,0,0|1,0,1]=4 1347 B7R1.3 C1CCC(CC1)N C136515 [1,0,0,1,0,0|1,0,1]=4 1348 B7R1.3 C1CCC(CC1)N C405536 [1,0,0,1,0,0|1,0,1]=4 1349 B7R1.3 C1CCC(CC1)N C492170 [1,0,0,1,0,0|1,0,1]=4 1350 B7R1.3 C1CCC(CC1)N C492176 [1,0,0,1,0,0|1,0,1]=4 1351 B7R1.3 C1CCC(CC1)O C110399 [1,0,0,1,0,0|0,0,2]=4 1352 B7R1.3 C1CCC(CC1)O C110400 [1,0,0,1,0,0|0,0,2]=4 1353 B7R1.3 C1CCC(CC1)O C110401 [1,0,0,1,0,0|0,0,2]=4 1354 B7R1.3 C1CCC(CC1)O C121272 [1,0,0,1,0,0|0,0,2]=4 1355 B7R1.3 C1CCC(CC1)S C107602 [1,0,0,1,0,0|0,1,1]=4 1356 B7R1.3 C1CCC(CC1)[NH3+] C494008 [1,0,0,1,0,0|1,0,1]=4 1357 B7R1.3 C1CCN(CC1)N A103012 [1,0,0,1,0,0|2,0,0]=4 1358 B7R1.3 C1CCN(CC1)N A113934 [1,0,0,1,0,0|2,0,0]=4 1359 B7R1.3 C1CCNC(=O)C1 P160613 [1,0,0,1,0,0|1,0,0]=3 1360 B7R1.3 C1CCOC(=O)C1 V100560 [1,0,0,1,0,0|1,0,0]=3 1361 B7R1.3 C1CNC(=O)CN1 P135012 [1,0,0,1,0,0|2,0,0]=4 1362 B7R1.3 C1CNC(=O)NC1 T162348 [1,0,0,1,0,0|2,0,0]=4 1363 B7R1.3 C1CNC(=O)OC1 O170792 [1,0,0,1,0,0|2,0,0]=4 1364 B7R1.3 C1COC(=O)CO1 D122246 [1,0,0,1,0,0|2,0,0]=4 1365 B7R1.3 C1COC(=O)OC1 D155394 [1,0,0,1,0,0|2,0,0]=4 1366 B7R1.3 C1COCC(=O)N1 M157861 [1,0,0,1,0,0|2,0,0]=4 1367 B7R1.3 C1COCCC1=O T107483 [1,0,0,1,0,0|1,0,0]=3 1368 B7R1.3 C1CSCCC1=O T121984 [1,0,0,1,0,0|1,0,0]=3 1369 B7R1.3 C=C1CCCCC1 M158229 [1,0,0,1,0,0|1,0,0]=3 1370 B7R1.3 CC1=CCCCC1 M158209 [1,0,0,1,0,0|1,0,1]=4 1371 B7R1.3 CC1CCCCC1 M103329 [1,0,0,1,0,0|1,0,1]=4 1372 B7R1.3 CC1CCCCC1 M103330 [1,0,0,1,0,0|1,0,1]=4 1373 B7R1.3 CC1CCCCC1 M103331 [1,0,0,1,0,0|1,0,1]=4 1374 B7R1.3 CC1CCCCC1 M118385 [1,0,0,1,0,0|1,0,1]=4 1375 B7R1.3 CC1CCCCC1 M119670 [1,0,0,1,0,0|1,0,1]=4 1376 B7R1.3 CN1CCCCC1 M106736 [1,0,0,1,0,0|2,0,0]=4 1377 B7R1.3 [CH2-]C1CCCCC1 C140721 [1,0,0,1,0,0|1,0,1]=4 1378 B7R1.4 C1CC(C(=O)C1)Cl C103555 [1,0,0,1,0,0|1,0,0]=3 1379 B7R1.4 C1CC(C(=O)C1)Cl C598656 [1,0,0,1,0,0|1,0,0]=3 1380 B7R1.4 C1CNC(=O)C1O H486731 [1,0,0,1,0,0|2,0,0]=4 1381 B7R1.4 C1COC(=O)C1Br B107924 [1,0,0,1,0,0|2,0,0]=4 1382 B7R1.4 C1COC(=O)C1N A101211 [1,0,0,1,0,0|2,0,0]=4 1383 B7R1.4 C1COC(=O)C1N I167498 [1,0,0,1,0,0|2,0,0]=4 1384 B7R1.4 C1COC(=O)C1N R137962 [1,0,0,1,0,0|2,0,0]=4 1385 B7R1.4 C1COC(=O)C1O H113417 [1,0,0,1,0,0|2,0,0]=4 1386 B7R1.4 C1COC(=O)C1O R591020 [1,0,0,1,0,0|2,0,0]=4 1387 B7R1.4 C1COC(=O)C1O S161076 [1,0,0,1,0,0|2,0,0]=4 1388 B7R1.4 C1CSC(=O)C1N H108030 [1,0,0,1,0,0|2,0,0]=4 1389 B7R1.4 C1CSC(=O)C1N S169532 [1,0,0,1,0,0|2,0,0]=4 1390 B7R1.4 CC1=CCCC1=O M165952 [1,0,0,1,0,0|0,0,2]=4 1391 B7R1.4 CC1C(=O)CCO1 M102944 [1,0,0,1,0,0|1,0,0]=3 1392 B7R1.4 CC1C(=O)CCS1 M102985 [1,0,0,1,0,0|1,0,0]=3 1393 B7R1.4 CC1CCCC1=O M138029 [1,0,0,1,0,0|0,0,0]=2 1394 B7R1.4 CC1CCCC1O B300625 [1,0,0,1,0,0|0,0,2]=4 1395 B7R1.4 CC1CCOC1=O A151225 [1,0,0,1,0,0|1,0,0]=3 1396 B7R1.4 CN1CCCC1=O M100588 [1,0,0,1,0,0|1,0,0]=3 1397 B7R1.4 CN1CCCC1=O M100589 [1,0,0,1,0,0|1,0,0]=3 1398 B7R1.4 CN1CCCC1=O M100590 [1,0,0,1,0,0|1,0,0]=3 1399 B7R1.4 CN1CCCC1=O M103246 [1,0,0,1,0,0|1,0,0]=3 1400 B7R1.4 CN1CCCC1=O M103247 [1,0,0,1,0,0|1,0,0]=3 1401 B7R1.4 CN1CCCC1=O M103248 [1,0,0,1,0,0|1,0,0]=3 1402 B7R1.4 CN1CCCC1=O M103250 [1,0,0,1,0,0|1,0,0]=3 1403 B7R1.4 CN1CCCC1=O M119668 [1,0,0,1,0,0|1,0,0]=3 1404 B7R1.4 CN1CCCC1=O M434296 [1,0,0,1,0,0|1,0,0]=3 1405 B7R1.4 CN1CCCC1=S M140448 [1,0,0,1,0,0|1,1,0]=4 1406 B7R1.4 CN1CCNC1=O M304416 [1,0,0,1,0,0|2,0,0]=4 1407 B7R1.4 CN1CCOC1=O M132701 [1,0,0,1,0,0|2,0,0]=4 1408 B7R1.22 C1CC1C(=O)CBr B186063 [1,0,0,1,0,0|1,0,0]=3 1409 B7R1.22 C1CC1C(=O)NN C177206 [1,0,0,1,0,0|2,0,0]=4 1410 B7R1.22 COC(=O)C1CC1 M108025 [1,0,0,1,0,0|1,0,0]=3 1411 B7R1.22 COC(=O)C1CN1 M111108 [1,0,0,1,0,0|2,0,0]=4 1412 B7R1.22 COC(=O)C1CO1 G303748 [1,0,0,1,0,0|2,0,0]=4 1413 B7R1.22 COC(=O)C1CO1 M344543 [1,0,0,1,0,0|2,0,0]=4 1414 B7R1.22 COC(=O)C1CO1 S179901 [1,0,0,1,0,0|2,0,0]=4 1415 B7R1.7 CCCCC1CO1 E156398 [1,0,0,1,0,0|0,0,2]=4 1416 B7R1.12 C1C(C1F)C(=O)O F191156 [1,0,0,1,0,0|2,0,0]=4 1417 B7R1.12 C1C(C1F)C(=O)O R586886 [1,0,0,1,0,0|2,0,0]=4 1418 B7R1.12 C1C(C1F)C(=O)O R587591 [1,0,0,1,0,0|2,0,0]=4 1419 B7R1.12 C1C(C1F)C(=O)O S587590 [1,0,0,1,0,0|2,0,0]=4 1420 B7R1.12 CC1CC1C(=O)O M169350 [1,0,0,1,0,0|1,0,0]=3 1421 B7R1.14 C1CCS(=O)(=O)C1 S110939 [1,0,0,1,0,0|2,0,0]=4 1422 B7R1.14 C1CCS(=O)(=O)C1 S110940 [1,0,0,1,0,0|2,0,0]=4 1423 B7R1.14 C1CCS(=O)(=O)C1 S110941 [1,0,0,1,0,0|2,0,0]=4 1424 B7R1.14 C1CCS(=O)(=O)C1 S110942 [1,0,0,1,0,0|2,0,0]=4 1425 B7R1.14 C1CCS(=O)(=O)C1 S357666 [1,0,0,1,0,0|2,0,0]=4 1426 B7R1.14 CC1(CCCC1)N A468531 [1,0,0,1,0,0|1,0,1]=4 1427 B7R1.14 CC1(CCCC1)O M101087 [1,0,0,1,0,0|0,0,2]=4 1428 B7R1.14 C[Si]1(CCCC1)C D189579 [1,0,0,1,0,0|1,1,0]=4 1429 B7R1.18 C1C(CN1)C(=O)O A103105 [1,0,0,1,0,0|2,0,0]=4 1430 B7R1.18 C1C(CO1)C(=O)O O166062 [1,0,0,1,0,0|2,0,0]=4 1431 B7R1.18 C1CC(C1)C(=O)Cl C170618 [1,0,0,1,0,0|1,0,0]=3 1432 B7R1.18 C1CC(C1)C(=O)O C120879 [1,0,0,1,0,0|1,0,0]=3 1433 B7R1.18 C1CNC1C(=O)O A124088 [1,0,0,1,0,0|2,0,0]=4 1434 B7R1.18 C1CNC1C(=O)O A175896 [1,0,0,1,0,0|2,0,0]=4 1435 B7R1.18 C1CNC1C(=O)O R177416 [1,0,0,1,0,0|2,0,0]=4 1436 B7R1.18 CC(=O)C1CCC1 A151658 [1,0,0,1,0,0|0,0,0]=2 1437 B7R1.20 C1CC1CC(=O)O C134997 [1,0,0,1,0,0|1,0,0]=3 1438 B7R1.24 C1CCC=CCC1 C153473 [1,0,0,1,0,0|0,0,1]=3 1439 B7R1.24 C1CCCCCC1 C110929 [1,0,0,1,0,0|0,0,1]=3 1440 B7R1.24 C1CCCNCC1 H157403 [1,0,0,1,0,0|1,0,0]=3 1441 B7R1.24 C1CCCOCC1 H157291 [1,0,0,1,0,0|1,0,0]=3 1442 B7R1.24 C1CNCCNC1 H106298 [1,0,0,1,0,0|2,0,0]=4 1443 B7R1.24 C1CNCCOC1 O587706 [1,0,0,1,0,0|2,0,0]=4 1444 B9R1.2 CCC1CCCC(C1)C E156078 [0,1,0,1,0,0|1,0,1]=4 1445 B9R1.2 CCN1CCCC(C1)O E156421 [0,1,0,1,0,0|2,0,0]=4 1446 B9R1.7 CCCC1CCC(=O)O1 H111340 [0,1,0,1,0,0|0,0,0]=2 1447 B9R1.7 CCOC1=CC(=O)CC1 E344140 [0,1,0,1,0,0|0,0,2]=4 1448 B9R1.8 C1CCC(=CC1)CC#N C122415 [0,1,0,1,0,0|1,0,1]=4 1449 B9R1.8 C1CCC(=CC1)CCN C153571 [0,1,0,1,0,0|1,0,0]=3 1450 B9R1.8 C1CCC(CC1)CCBr B113782 [0,1,0,1,0,0|1,0,1]=4 1451 B9R1.8 C1CCC(CC1)CCN C153966 [0,1,0,1,0,0|1,0,1]=4 1452 B9R1.8 C1CCC(CC1)CCO C153306 [0,1,0,1,0,0|1,0,1]=4 1453 B9R1.8 C1CCN(CC1)CCCl C113518 [0,1,0,1,0,0|2,0,0]=4 1454 B9R1.8 C1CCN(CC1)CCN A113914 [0,1,0,1,0,0|2,0,0]=4 1455 B9R1.8 C1CCN(CC1)CCN P189302 [0,1,0,1,0,0|2,0,0]=4 1456 B9R1.8 C1CCN(CC1)CCO H113280 [0,1,0,1,0,0|2,0,0]=4 1457 B9R1.8 C1CCNC(C1)CCO P160104 [0,1,0,1,0,0|1,0,1]=4 1458 B9R1.8 C1CCNC(C1)CCO R195067 [0,1,0,1,0,0|1,0,1]=4 1459 B9R1.8 C1CCNC(C1)CCO S186630 [0,1,0,1,0,0|1,0,1]=4 1460 B9R1.8 C1CCNC(C1)CCO S189442 [0,1,0,1,0,0|1,0,1]=4 1461 B9R1.8 CCCC1CCCCC1 P160285 [0,1,0,1,0,0|1,0,1]=4 1462 B9R1.8 CCNC1CCCCC1 E124549 [0,1,0,1,0,0|1,0,1]=4 1463 B9R1.12 CCCCN1CCCC1 B123038 [0,1,0,1,0,0|2,0,0]=4 1464 B9R1.15 C1CCC(=O)C(C1)C#N O589158 [0,1,0,1,0,0|0,0,1]=3 1465 B9R1.15 CCC1CCCCC1C E156070 [0,1,0,1,0,0|1,0,1]=4 1466 B9R1.15 CCC1CCCCC1O E156074 [0,1,0,1,0,0|0,0,2]=4 1467 B9R1.15 CN1CCCCC1CO M106741 [0,1,0,1,0,0|2,0,0]=4 1468 B9R1.15 COC1CCCCC1=O M158813 [0,1,0,1,0,0|0,0,0]=2 1469 B9R1.27 CCC1=C(CNC1=O)C E135294 [0,1,0,1,0,0|1,0,1]=4 1470 B9R1.27 CCC1C(=O)CCC1=O E156451 [0,1,0,1,0,0|1,0,1]=4 1471 B9R1.27 CCN1C(=O)CCC1=O N159134 [0,1,0,1,0,0|1,0,1]=4 1472 B9R1.33 C1CC(=O)N(C1)CCO H124555 [0,1,0,1,0,0|2,0,0]=4 1473 B9R1.33 C1CC(=O)N(C1)CCO H299071 [0,1,0,1,0,0|2,0,0]=4 1474 B9R1.33 C1CN(C(=O)N1)CCN A185652 [0,1,0,1,0,0|2,0,0]=4 1475 B9R1.48 C1CCC(=O)CC(=O)C1 W134267 [0,1,0,1,0,0|0,0,1]=3 1476 B9R1.48 C1CCC(=O)OC(=O)C1 O588008 [0,1,0,1,0,0|1,0,1]=4 1477 B9R1.49 CN1CCCC(=O)CC1 M587966 [0,1,0,1,0,0|0,0,0]=2 1478 B9R1.50 C1CCCC(=O)CCC1 C106984 [0,1,0,1,0,0|0,0,0]=2 1479 B9R1.50 C1CCCC(CCC1)N C153969 [0,1,0,1,0,0|1,0,1]=4 1480 B9R1.50 C1CCCC(CCC1)O C153307 [0,1,0,1,0,0|0,0,2]=4 1481 B9R1.50 C1CCCNC(=O)CC1 O159930 [0,1,0,1,0,0|0,0,0]=2 1482 B9R1.69 CC1CCC(=O)CC1C D154364 [0,1,0,1,0,0|0,0,0]=2 1483 B9R1.69 CC1CCC(C(=O)C1)C D154367 [0,1,0,1,0,0|0,0,0]=2 1484 B9R1.69 CC1CCC(C(C1)C)C T161696 [0,1,0,1,0,0|1,0,1]=4 1485 B9R1.69 CC1CCC(CC1C)O D155902 [0,1,0,1,0,0|0,0,2]=4 1486 B9R1.69 CC1CN(CCC1=O)C D154313 [0,1,0,1,0,0|1,0,0]=3 1487 B9R1.73 CCOC(=O)C1CCC1 E124243 [0,1,0,1,0,0|0,0,0]=2 1488 B9R1.73 CCOC(=O)C1CNC1 E176414 [0,1,0,1,0,0|1,0,0]=3 1489 B9R1.75 CCOC(=O)CC1CC1 E176712 [0,1,0,1,0,0|0,0,0]=2 1490 B9R1.134 CCC[N+]1(CCCC1)C M304773 [0,1,0,1,0,0|2,0,0]=4 1491 B9R1.3 CC1C(=O)CCCC1=O M158810 [0,1,0,1,0,0|0,0,1]=3 1492 B9R1.3 CC1CCCC(C1=O)C D154369 [0,1,0,1,0,0|0,0,0]=2 1493 B9R1.3 CC1CCCC(C1C)O D155904 [0,1,0,1,0,0|0,0,2]=4 1494 B9R1.3 CN1CCCN(C1=O)C D106284 [0,1,0,1,0,0|2,0,0]=4 1495 B9R1.5 C1CCC(C(=O)CC1)Cl C153943 [0,1,0,1,0,0|0,0,0]=2 1496 B9R1.5 C1CCNC(=O)C(C1)N S135609 [0,1,0,1,0,0|1,0,0]=3 1497 B9R1.5 C1CCNC(=O)C(C1)N S588137 [0,1,0,1,0,0|1,0,0]=3 1498 B9R1.5 CN1CCCCCC1=O N159776 [0,1,0,1,0,0|1,0,0]=3 1499 B9R1.11 C1CCN(C1)C(=O)CBr B405233 [0,1,0,1,0,0|1,0,0]=3 1500 B9R1.11 C1CCN(C1)C(=O)CCl C153598 [0,1,0,1,0,0|1,0,0]=3 1501 B9R1.11 COC(=O)C1=CCCC1 M135404 [0,1,0,1,0,0|1,0,1]=4 1502 B9R1.11 COC(=O)C1CC=CC1 M135200 [0,1,0,1,0,0|1,0,1]=4 1503 B9R1.11 COC(=O)C1CCCC1 M158004 [0,1,0,1,0,0|1,0,0]=3 1504 B9R1.11 COC(=O)C1CCCN1 P107637 [0,1,0,1,0,0|1,0,0]=3 1505 B9R1.11 COC(=O)C1CCCN1 P109007 [0,1,0,1,0,0|1,0,0]=3 1506 B9R1.11 COC(=O)C1CCCO1 M158460 [0,1,0,1,0,0|1,0,0]=3 1507 B9R1.11 COC(=O)C1CCNC1 M172004 [0,1,0,1,0,0|1,0,0]=3 1508 B9R1.11 COC(=O)C1CCNC1 M177835 [0,1,0,1,0,0|1,0,0]=3 1509 B9R1.11 COC(=O)C1CCOC1 M176720 [0,1,0,1,0,0|1,0,0]=3 1510 B9R1.11 COC(=O)C1NCCS1 M169641 [0,1,0,1,0,0|2,0,0]=4 1511 B9R1.37 CC1CC(=O)C(=O)C1C D102535 [0,1,0,1,0,0|0,0,1]=3 1512 B9R1.37 CC1CC(C(=O)C1=O)C C304687 [0,1,0,1,0,0|1,0,1]=4 1513 B9R1.37 CC1CC(C(=O)C1=O)C D137771 [0,1,0,1,0,0|1,0,1]=4 1514 B9R1.82 COC(=O)C1CC(=O)C1 M589916 [0,1,0,1,0,0|1,0,1]=4 1515 B9R1.82 COC(=O)C1CC(C1)O M176607 [0,1,0,1,0,0|1,0,0]=3 1516 B9R1.82 COC(=O)C1CC(C1)O M176998 [0,1,0,1,0,0|1,0,0]=3 1517 B9R1.82 COC(=O)C1CC(C1)O M176999 [0,1,0,1,0,0|1,0,0]=3 1518 B9R1.132 CCC1=C(C(=O)CC1)O E102537 [0,1,0,1,0,0|0,0,2]=4 1519 B9R1.186 COC(=O)C1(CCC1)N A182810 [0,1,0,1,0,0|1,0,0]=3 1520 B9R1.1 C1CC(CCC1CO)O H135086 [0,1,0,1,0,0|0,0,2]=4 1521 B9R1.1 CC1CCC(CC1)CO M157909 [0,1,0,1,0,0|0,0,2]=4 1522 B9R1.1 CC1CCC(CC1)OC M158117 [0,1,0,1,0,0|0,0,2]=4 1523 B9R1.1 CCC1CCC(=O)CC1 E115523 [0,1,0,1,0,0|0,0,0]=2 1524 B9R1.1 CCC1CCC(CC1)N E156487 [0,1,0,1,0,0|1,0,1]=4 1525 B9R1.1 CCC1CCC(CC1)O E156092 [0,1,0,1,0,0|0,0,2]=4 1526 B9R1.1 CCC1CCC(CC1)O T162721 [0,1,0,1,0,0|0,0,2]=4 1527 B9R1.1 CCN1CCC(=O)CC1 E156493 [0,1,0,1,0,0|0,0,0]=2 1528 B9R1.1 CCN1CCC(CC1)O N176230 [0,1,0,1,0,0|0,0,2]=4 1529 B9R1.1 CN1CCC(=NO)CC1 M158647 [0,1,0,1,0,0|1,0,1]=4 1530 B9R1.1 CN1CCC(CC1)CN M134828 [0,1,0,1,0,0|2,0,0]=4 1531 B9R1.1 CN1CCC(CC1)CO M121881 [0,1,0,1,0,0|2,0,0]=4 1532 B9R1.1 CNC1CCN(CC1)C M158769 [0,1,0,1,0,0|2,0,0]=4 1533 B9R1.1 COC1CCC(=O)CC1 M587028 [0,1,0,1,0,0|0,0,0]=2 1534 B9R1.1 COC1CCC(CC1)N T586646 [0,1,0,1,0,0|1,0,1]=4 1535 B9R1.1 COC1CCC(CC1)O M191661 [0,1,0,1,0,0|0,0,2]=4 1536 B9R1.89 C1CCCC(=NO)CC1 C153672 [0,1,0,1,0,0|0,0,1]=3 1537 B9R1.89 COC1=NCCCCC1 A169044 [0,1,0,1,0,0|1,0,1]=4 1538 B9R1.118 CCC1(CCCCC1)O E156065 [0,1,0,1,0,0|0,0,2]=4 1539 B9R1.118 CCC1(CCNCC1)C E170182 [0,1,0,1,0,0|1,0,1]=4 1540 B9R1.118 CC[N+]1(CCOCC1)C E156036 [0,1,0,1,0,0|2,0,0]=4 1541 B9R1.6 CC(C)C1CCCCC1 I157551 [0,1,0,1,0,0|1,0,1]=4 1542 B9R1.6 CC(C1CCCCC1)N R160854 [0,1,0,1,0,0|1,0,1]=4 1543 B9R1.6 CC(C1CCCCC1)N S161320 [0,1,0,1,0,0|1,0,1]=4 1544 B9R1.6 CC(C1CCCCC1)O C166344 [0,1,0,1,0,0|1,0,1]=4 1545 B9R1.23 CN1CC(CC1=O)CN A178284 [0,1,0,1,0,0|2,0,0]=4 1546 B9R1.23 CN1CC(CC1=O)CO H176895 [0,1,0,1,0,0|2,0,0]=4 1547 B9R1.35 C1CC(=O)CC1C(=O)O S177273 [0,1,0,1,0,0|1,0,1]=4 1548 B9R1.35 CC(C)C1COC(=O)N1 I107588 [0,1,0,1,0,0|2,0,0]=4 1549 B9R1.35 CC(C)C1COC(=O)N1 I107589 [0,1,0,1,0,0|2,0,0]=4 1550 B9R1.40 CC1(C(=O)NCCN1)C D175799 [0,1,0,1,0,0|2,0,0]=4 1551 B9R1.40 CC1(CCCCC1=O)C D166342 [0,1,0,1,0,0|0,0,0]=2 1552 B9R1.10 C1CC(CCC1=O)(F)F W135372 [0,1,0,1,0,0|1,0,0]=3 1553 B9R1.10 C1CS(=O)(=O)CCC1=O T161723 [0,1,0,1,0,0|2,0,0]=4 1554 B9R1.10 C1CS(=O)(=O)CCC1N A166178 [0,1,0,1,0,0|2,0,0]=4 1555 B9R1.10 C1CS(=O)(=O)CCC1N D175701 [0,1,0,1,0,0|2,0,0]=4 1556 B9R1.10 C1CS(=O)(=O)CCC1O T168269 [0,1,0,1,0,0|2,0,0]=4 1557 B9R1.10 CC1(CCC(=O)C=C1)C D154373 [0,1,0,1,0,0|0,0,2]=4 1558 B9R1.10 CC1(CCC(=O)CC1)C D120758 [0,1,0,1,0,0|0,0,0]=2 1559 B9R1.10 CC1(CCC(CC1)N)C D182662 [0,1,0,1,0,0|1,0,1]=4 1560 B9R1.10 CC1(OCC(=O)CO1)C D155926 [0,1,0,1,0,0|2,0,0]=4 1561 B9R1.133 COC1CCS(=O)(=O)C1 M404772 [0,1,0,1,0,0|2,0,0]=4 1562 B9R1.138 CC1(COC(=O)C1O)C P122332 [0,1,0,1,0,0|2,0,0]=4 1563 B9R1.138 CC1(COC(=O)C1O)C S138963 [0,1,0,1,0,0|2,0,0]=4 1564 B9R1.138 CC1(COC(=O)C1O)C S161101 [0,1,0,1,0,0|2,0,0]=4 1565 B9R2.39 C1CC2CC1CC2=O N158897 [0,0,0,2,0,0|0,0,0]=2 1566 B9R2.39 C1CC2CC1CC2O B299976 [0,0,0,2,0,0|0,0,2]=4 1567 B9R2.39 C1CC2CC1CC2O E156041 [0,0,0,2,0,0|0,0,2]=4 1568 B9R2.49 C1CN2CCC1CC2 Q132740 [0,0,0,2,0,0|2,0,0]=4 1569 B9R2.49 C1CN2CCC1CC2 Q469170 [0,0,0,2,0,0|2,0,0]=4 1570 B9R2.6 CC12CCCCC1O2 M158366 [0,0,0,2,0,0|0,0,2]=4 1571 B9R2.109 C1CC2C(O2)C(=O)C1 O342678 [0,0,0,2,0,0|1,0,0]=3 1572 B9R2.52 C1CCC2C(O2)CC1 E357124 [0,0,0,2,0,0|0,0,2]=4 1573 B9R2.7 C1C=CC2C1C(=O)C2 B586983 [0,0,0,2,0,0|0,0,2]=4