0 B7R0.3 C(CC(=O)NN)CO B301222 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.3 CCC(=O)NCCO N158966 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.3 CCCCC(=C)CC E156236 [0,0,0,0,0,0|3,0,0]=3 3 B7R0.3 CCCCC(=O)CC H103766 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.3 CCCCC(=O)NN P135113 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.3 CCCCC(=O)OC M108213 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.3 CCCCC(=O)OC M108214 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.3 CCCCC(C)CC M113650 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.3 CCCCC(CC)Br B152441 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.3 CCCCC(CC)O H156872 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.3 CCCNC(=O)C=C N404954 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.3 CCCOC(=O)CC P111531 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.3 CCCOC(=O)CC P111532 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.3 COC(=O)C=CC=C M167458 [0,0,0,0,0,0|1,0,3]=4 14 B7R0.3 COC(=O)C=CC=O M158237 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.3 COC(=O)C=CCBr M137638 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.3 COC(=O)C=CCBr M158855 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.3 COC(=O)CCC#N M135512 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.3 COC(=O)CCC#N M293045 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.3 COC(=O)CCC=C M338666 [0,0,0,0,0,0|1,0,1]=2 20 B7R0.3 COC(=O)CCCBr M158832 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.3 COC(=O)CCCBr M492178 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.3 COC(=O)CCCCl C108118 [0,0,0,0,0,0|2,0,0]=2 23 B7R0.3 COC(=O)CCCI M167258 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.3 COC(=O)CCCN M124081 [0,0,0,0,0,0|2,0,0]=2 25 B7R0.3 COC(=O)CCSC M302466 [0,0,0,0,0,0|0,0,0]=0 26 B7R0.3 COC(=O)CN=[N+]=[N-] M168057 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.3 COC(=O)OCC=C A136273 [0,0,0,0,0,0|2,0,1]=3 28 B7R0.3 COC=CC(=O)OC M105075 [0,0,0,0,0,0|0,1,2]=3 29 B7R0.3 COC=CC(=O)OC M135197 [0,0,0,0,0,0|0,1,2]=3 30 B7R0.3 COCCC(=O)OC M134953 [0,0,0,0,0,0|0,1,0]=1 31 B7R0.3 CSCCC(CO)N D339853 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.3 CSCCC(CO)N M117138 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.3 CSCCC(CO)N S167794 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.1 CC#CC(=O)OC M158860 [1,0,0,0,0,0|0,0,2]=3 35 B6R0.1 CC(CCO)OC M102190 [1,0,0,0,0,0|1,1,1]=4 36 B6R0.1 CC(COC)OC D155537 [1,0,0,0,0,0|1,1,1]=4 37 B6R0.1 CC=CC(=O)OC M109486 [1,0,0,0,0,0|0,0,2]=3 38 B6R0.1 CCC(=O)C=CC E404567 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.1 CCC(=O)C=CC H111425 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.1 CCC(=O)OCC E103457 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.1 CCC(=O)OCC E103458 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.1 CCC(=O)OCC E103459 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.1 CCC(=O)OCC E103460 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.1 CCC(=O)OCC E278958 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.1 CCC(=O)SCC S133123 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.1 CCCC(=O)CC H106710 [1,0,0,0,0,0|1,0,0]=2 47 B6R0.1 CCCC(=O)NN B183968 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.1 CCCC(=O)OC M100038 [1,0,0,0,0,0|0,0,0]=1 49 B6R0.1 CCCC(=O)OC M100039 [1,0,0,0,0,0|0,0,0]=1 50 B6R0.1 CCCC(=O)OC M100040 [1,0,0,0,0,0|0,0,0]=1 51 B6R0.1 CCCC(=O)SC M102997 [1,0,0,0,0,0|0,1,0]=2 52 B6R0.1 CCCC(C)CC M158521 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.1 CCCC(CC)Br B152444 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.1 CCCC(CC)Cl C153662 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.1 CCCC(CC)O H133955 [1,0,0,0,0,0|1,0,2]=4 56 B6R0.1 CCNC(=O)C=C N136947 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.1 CCOC(=O)C#C E107738 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.1 CCOC(=O)C#C E357742 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.1 CCOC(=O)C#N E106582 [1,0,0,0,0,0|3,0,0]=4 60 B6R0.1 CCOC(=O)C#N E298724 [1,0,0,0,0,0|3,0,0]=4 61 B6R0.1 CCOC(=O)C=C E112943 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.1 CCOC(=O)C=C E112944 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.1 CCOC(=O)C=C E112945 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.1 CCOC(=O)C=C E465763 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.1 CCOC(=O)C=O E106246 [1,0,0,0,0,0|3,0,0]=4 66 B6R0.1 CCOC(=O)CBr E106090 [1,0,0,0,0,0|3,0,0]=4 67 B6R0.1 CCOC(=O)CCl E105166 [1,0,0,0,0,0|3,0,0]=4 68 B6R0.1 CCOC(=O)CCl E105167 [1,0,0,0,0,0|3,0,0]=4 69 B6R0.1 CCOC(=O)CF E107563 [1,0,0,0,0,0|3,0,0]=4 70 B6R0.1 CCOC(=O)CN G105477 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.1 CCOC(=O)CO E101730 [1,0,0,0,0,0|3,0,0]=4 72 B6R0.1 CCOC(=O)CS E109439 [1,0,0,0,0,0|3,0,0]=4 73 B6R0.1 CCOC(=O)NN E133700 [1,0,0,0,0,0|3,0,0]=4 74 B6R0.1 CCOC(=O)OC E110111 [1,0,0,0,0,0|1,0,0]=2 75 B6R0.1 CCOC(=O)OC E433135 [1,0,0,0,0,0|1,0,0]=2 76 B6R0.1 CNC(=O)CC#N C185694 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.1 COC(=O)C=CI E589680 [1,0,0,0,0,0|1,0,2]=4 78 B6R0.1 COC(=O)CC#N M110112 [1,0,0,0,0,0|1,0,1]=3 79 B6R0.1 COC(=O)CC=C M341924 [1,0,0,0,0,0|0,0,2]=3 80 B6R0.1 COC(=O)CCBr M158830 [1,0,0,0,0,0|1,0,0]=2 81 B6R0.1 COC(=O)CCN A104532 [1,0,0,0,0,0|1,0,0]=2 82 B6R0.1 COC(=O)CCO D304149 [1,0,0,0,0,0|0,1,0]=2 83 B6R0.1 COC(=O)CCS M107600 [1,0,0,0,0,0|0,0,0]=1 84 B6R0.1 COC(=O)CSC M120419 [1,0,0,0,0,0|0,0,0]=1 85 B6R0.1 COC(=O)C[N+]#[C-] M157837 [1,0,0,0,0,0|1,0,1]=3 86 B6R0.1 COC(=O)OCCl C347908 [1,0,0,0,0,0|2,0,0]=3 87 B6R0.1 COCC(=O)OC M106398 [1,0,0,0,0,0|0,1,0]=2 88 B6R0.4 B(CCCC)(O)O B101013 [1,0,0,0,0,0|2,0,1]=4 89 B6R0.4 C#CCCC(=O)O P133515 [1,0,0,0,0,0|1,0,1]=3 90 B6R0.4 C(C(=O)O)N=[N+]=[N-] A168121 [1,0,0,0,0,0|3,0,0]=4 91 B6R0.4 C(C(=O)O)NC=O N159822 [1,0,0,0,0,0|3,0,0]=4 92 B6R0.4 C(CC(=O)Cl)CBr B102197 [1,0,0,0,0,0|3,0,0]=4 93 B6R0.4 C(CC(=O)Cl)CCl C109449 [1,0,0,0,0,0|3,0,0]=4 94 B6R0.4 C(CC(=O)N)CCl C168978 [1,0,0,0,0,0|3,0,0]=4 95 B6R0.4 C(CC(=O)O)C#N C191241 [1,0,0,0,0,0|2,0,0]=3 96 B6R0.4 C(CC(=O)O)CBr B106907 [1,0,0,0,0,0|2,0,0]=3 97 B6R0.4 C(CC(=O)O)CCl C134513 [1,0,0,0,0,0|2,0,0]=3 98 B6R0.4 C(CC(=O)O)CN A104200 [1,0,0,0,0,0|2,0,0]=3 99 B6R0.4 C(CC(=O)O)CN A293557 [1,0,0,0,0,0|2,0,0]=3 100 B6R0.4 C(CC(=O)O)CN A424756 [1,0,0,0,0,0|2,0,0]=3 101 B6R0.4 C(CC(=O)O)CN A468499 [1,0,0,0,0,0|2,0,0]=3 102 B6R0.4 C(CC(=O)O)CN A472038 [1,0,0,0,0,0|2,0,0]=3 103 B6R0.4 C(CC(=O)O)CN G276591 [1,0,0,0,0,0|2,0,0]=3 104 B6R0.4 C(CN)C[P+](=O)O A275461 [1,0,0,0,0,0|3,0,0]=4 105 B6R0.4 C=CCCC(=O)Cl P278805 [1,0,0,0,0,0|2,0,1]=4 106 B6R0.4 C=CCCC(=O)O P160582 [1,0,0,0,0,0|1,0,1]=3 107 B6R0.4 CC(=O)C=COC M113467 [1,0,0,0,0,0|0,1,2]=4 108 B6R0.4 CC(=O)C=COC M434875 [1,0,0,0,0,0|0,1,2]=4 109 B6R0.4 CC(=O)CCC=C H113634 [1,0,0,0,0,0|1,0,1]=3 110 B6R0.4 CC(=O)CCCBr B345087 [1,0,0,0,0,0|2,0,0]=3 111 B6R0.4 CC(=O)CCCCl C108070 [1,0,0,0,0,0|2,0,0]=3 112 B6R0.4 CC(=O)CCSC M135087 [1,0,0,0,0,0|0,0,0]=1 113 B6R0.4 CC(=O)NCC#N I170553 [1,0,0,0,0,0|3,0,0]=4 114 B6R0.4 CC(=O)NCCN A117219 [1,0,0,0,0,0|3,0,0]=4 115 B6R0.4 CC(=O)NCCO A112970 [1,0,0,0,0,0|3,0,0]=4 116 B6R0.4 CC(=O)NCCO A112971 [1,0,0,0,0,0|3,0,0]=4 117 B6R0.4 CC(=O)NCCS N347842 [1,0,0,0,0,0|3,0,0]=4 118 B6R0.4 CC(=O)OCC#C P304196 [1,0,0,0,0,0|2,0,1]=4 119 B6R0.4 CC(=O)OCC=C A107305 [1,0,0,0,0,0|2,0,1]=4 120 B6R0.4 CC(=O)OCCBr B102635 [1,0,0,0,0,0|3,0,0]=4 121 B6R0.4 CC(=O)OCCCl A140396 [1,0,0,0,0,0|3,0,0]=4 122 B6R0.4 CC(=O)OCCN A588049 [1,0,0,0,0,0|3,0,0]=4 123 B6R0.4 CC(=O)OCCO H156959 [1,0,0,0,0,0|3,0,0]=4 124 B6R0.4 CC(=O)SCCN T340735 [1,0,0,0,0,0|3,0,0]=4 125 B6R0.4 CC=CCC(=O)O P165142 [1,0,0,0,0,0|1,0,1]=3 126 B6R0.4 CCC#CC(=O)O P137286 [1,0,0,0,0,0|1,0,2]=4 127 B6R0.4 CCC=CC(=O)O T162309 [1,0,0,0,0,0|1,0,2]=4 128 B6R0.4 CCCCC(=N)N D305243 [1,0,0,0,0,0|3,0,0]=4 129 B6R0.4 CCCCC(=O)Br V162931 [1,0,0,0,0,0|2,0,0]=3 130 B6R0.4 CCCCC(=O)C H105743 [1,0,0,0,0,0|1,0,0]=2 131 B6R0.4 CCCCC(=O)C H105744 [1,0,0,0,0,0|1,0,0]=2 132 B6R0.4 CCCCC(=O)C H111491 [1,0,0,0,0,0|1,0,0]=2 133 B6R0.4 CCCCC(=O)C H141140 [1,0,0,0,0,0|1,0,0]=2 134 B6R0.4 CCCCC(=O)Cl V107241 [1,0,0,0,0,0|2,0,0]=3 135 B6R0.4 CCCCC(=O)N V162967 [1,0,0,0,0,0|2,0,0]=3 136 B6R0.4 CCCCC(=O)O V108269 [1,0,0,0,0,0|1,0,0]=2 137 B6R0.4 CCCCC(=O)O V108270 [1,0,0,0,0,0|1,0,0]=2 138 B6R0.4 CCCCC(=O)O V108271 [1,0,0,0,0,0|1,0,0]=2 139 B6R0.4 CCCCC(=O)O V108272 [1,0,0,0,0,0|1,0,0]=2 140 B6R0.4 CCCCC(=O)O V302252 [1,0,0,0,0,0|1,0,0]=2 141 B6R0.4 CCCCC(=O)[O-] S194180 [1,0,0,0,0,0|1,0,1]=3 142 B6R0.4 CCCCC(C)C M158516 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.4 CCCCC(C)Cl C153661 [1,0,0,0,0,0|2,0,1]=4 144 B6R0.4 CCCCC(C)N B301374 [1,0,0,0,0,0|2,0,1]=4 145 B6R0.4 CCCCC(C)O H105565 [1,0,0,0,0,0|1,0,2]=4 146 B6R0.4 CCCCC(C)O I170762 [1,0,0,0,0,0|1,0,2]=4 147 B6R0.4 CCCCC(C)O R588494 [1,0,0,0,0,0|1,0,2]=4 148 B6R0.4 CCCCN(C)C D108036 [1,0,0,0,0,0|3,0,0]=4 149 B6R0.4 CCCC[N+](=O)[O-] N300420 [1,0,0,0,0,0|2,0,1]=4 150 B6R0.4 CCCC[Sn](=O)O M107696 [1,0,0,0,0,0|2,0,0]=3 151 B6R0.4 CCCNC(=O)N P589707 [1,0,0,0,0,0|3,0,0]=4 152 B6R0.4 CCCOC(=O)C P103882 [1,0,0,0,0,0|2,0,0]=3 153 B6R0.4 CCCOC(=O)C P103883 [1,0,0,0,0,0|2,0,0]=3 154 B6R0.4 CCCOC(=O)N P194271 [1,0,0,0,0,0|3,0,0]=4 155 B6R0.4 CCCSC(=O)C S161333 [1,0,0,0,0,0|2,0,0]=3 156 B6R0.4 CCNCC(=O)O N159193 [1,0,0,0,0,0|2,0,0]=3 157 B6R0.4 CCOCC(=O)Cl E293992 [1,0,0,0,0,0|3,0,0]=4 158 B6R0.4 CCOCC(=O)O E156174 [1,0,0,0,0,0|2,0,0]=3 159 B6R0.4 CCSCC(=O)O E300419 [1,0,0,0,0,0|2,0,0]=3 160 B6R0.4 CNCCC(=O)O M183299 [1,0,0,0,0,0|1,0,0]=2 161 B6R0.4 CNCCN(C)C N159374 [1,0,0,0,0,0|3,0,0]=4 162 B6R0.4 CNCCN(C)C N192745 [1,0,0,0,0,0|3,0,0]=4 163 B6R0.4 COCCC(=O)O M169065 [1,0,0,0,0,0|0,1,0]=2 164 B6R0.4 CSCCC(=O)Cl M158416 [1,0,0,0,0,0|1,0,0]=2 165 B6R0.4 CSCCC(=O)O M158072 [1,0,0,0,0,0|0,0,0]=1 166 B6R0.6 CC=CCCCO H300983 [1,0,0,0,0,0|3,0,0]=4 167 B6R0.6 CCCCCCC H108102 [1,0,0,0,0,0|2,0,1]=4 168 B6R0.6 CCCCCCC H108103 [1,0,0,0,0,0|2,0,1]=4 169 B6R0.6 CCCCCCC H108105 [1,0,0,0,0,0|2,0,1]=4 170 B6R0.6 CCCCCCC H108108 [1,0,0,0,0,0|2,0,1]=4 171 B6R0.6 CCCCCCC H108111 [1,0,0,0,0,0|2,0,1]=4 172 B6R0.6 CCCCCCC H108112 [1,0,0,0,0,0|2,0,1]=4 173 B6R0.6 CCCCCCC H118382 [1,0,0,0,0,0|2,0,1]=4 174 B6R0.6 CCCCCCC H119701 [1,0,0,0,0,0|2,0,1]=4 175 B6R0.6 CCCCCNC M124210 [1,0,0,0,0,0|2,0,1]=4 176 B6R0.6 CCCCCSC A151354 [1,0,0,0,0,0|1,0,1]=3 177 B6R0.6 CCCCNCC N158928 [1,0,0,0,0,0|3,0,0]=4 178 B6R0.6 CCCCSCC B152507 [1,0,0,0,0,0|3,0,0]=4 179 B6R0.6 CCOCCOC E331012 [1,0,0,0,0,0|2,0,1]=4 180 B6R0.6 CNCCCNC D124206 [1,0,0,0,0,0|2,0,1]=4 181 B6R0.6 COCCCCBr B152834 [1,0,0,0,0,0|2,0,1]=4 182 B6R0.6 COCCCCO B152046 [1,0,0,0,0,0|2,0,1]=4 183 B6R0.6 CSCCCCO M468928 [1,0,0,0,0,0|2,0,1]=4 184 B8R0.1 CCC#CC(=O)OCC E189158 [0,1,0,0,0,0|1,0,2]=4 185 B8R0.1 CCCC(=O)OCCC P100043 [0,1,0,0,0,0|3,0,0]=4 186 B8R0.1 CCCC(=O)OCCC P100044 [0,1,0,0,0,0|3,0,0]=4 187 B8R0.1 CCCCC(=O)C=CC O160046 [0,1,0,0,0,0|2,0,0]=3 188 B8R0.1 CCCCC(=O)CCC O160045 [0,1,0,0,0,0|2,0,0]=3 189 B8R0.1 CCCCC(=O)OCC E105293 [0,1,0,0,0,0|1,0,0]=2 190 B8R0.1 CCCCC(=O)OCC E105294 [0,1,0,0,0,0|1,0,0]=2 191 B8R0.1 CCCCC(=O)OCC E118465 [0,1,0,0,0,0|1,0,0]=2 192 B8R0.1 CCOC(=O)CCC=C E156151 [0,1,0,0,0,0|1,0,1]=3 193 B8R0.1 CCOC(=O)CCCBr E106908 [0,1,0,0,0,0|2,0,0]=3 194 B8R0.1 CCOC(=O)CCCBr E639064 [0,1,0,0,0,0|2,0,0]=3 195 B8R0.1 CCOC(=O)CCCCl E135072 [0,1,0,0,0,0|2,0,0]=3 196 B8R0.1 CCOC(=O)CCCCl E493598 [0,1,0,0,0,0|2,0,0]=3 197 B8R0.1 CCOC(=O)CCCN E122453 [0,1,0,0,0,0|2,0,0]=3 198 B8R0.1 CCOC(=O)CCC[CH2-] E465916 [0,1,0,0,0,0|1,0,1]=3 199 B8R0.1 CCOC(=O)CCSC E107629 [0,1,0,0,0,0|0,0,0]=1 200 B8R0.1 CCOC(=O)CN=C=O E156271 [0,1,0,0,0,0|3,0,0]=4 201 B8R0.1 CCOC(=O)CN=C=S E101903 [0,1,0,0,0,0|3,0,0]=4 202 B8R0.1 CCOC(=O)CN=[N+]=[N-] E189179 [0,1,0,0,0,0|3,0,0]=4 203 B8R0.1 CCOC(=O)CNC=O N159320 [0,1,0,0,0,0|3,0,0]=4 204 B8R0.1 CCOC(=O)OCC=C A151039 [0,1,0,0,0,0|2,0,1]=4 205 B8R0.1 CCOCC(=O)OCC E195171 [0,1,0,0,0,0|2,0,0]=3 206 B8R0.3 CC(COC)C(=O)OC M157985 [0,1,0,0,0,0|0,1,0]=2 207 B8R0.3 CCCC(C(=O)NO)N B300173 [0,1,0,0,0,0|3,0,0]=4 208 B8R0.3 CCCC(C)C(=O)OC B300583 [0,1,0,0,0,0|1,0,0]=2 209 B8R0.3 COC(=O)C(CCBr)Br M588617 [0,1,0,0,0,0|2,0,0]=3 210 B8R0.6 CC=CC=CC(=O)OC M158512 [0,1,0,0,0,0|1,0,2]=4 211 B8R0.6 CCCC=CC(=O)OC M134288 [0,1,0,0,0,0|1,0,1]=3 212 B8R0.6 CCCCCC(=O)C=C O160047 [0,1,0,0,0,0|2,0,1]=4 213 B8R0.6 CCCCCC(=O)CC O106928 [0,1,0,0,0,0|2,0,0]=3 214 B8R0.6 CCCCCC(=O)CC O106929 [0,1,0,0,0,0|2,0,0]=3 215 B8R0.6 CCCCCC(=O)OC M112312 [0,1,0,0,0,0|1,0,0]=2 216 B8R0.6 CCCCCC(=O)OC M112313 [0,1,0,0,0,0|1,0,0]=2 217 B8R0.6 CCCCCC(=O)OC M112314 [0,1,0,0,0,0|1,0,0]=2 218 B8R0.6 CCCCNC(=O)C=C N405436 [0,1,0,0,0,0|2,0,1]=4 219 B8R0.6 CCCCNC(=O)CCl N193799 [0,1,0,0,0,0|3,0,0]=4 220 B8R0.6 CCCCOC(=O)C=C B100034 [0,1,0,0,0,0|2,0,1]=4 221 B8R0.6 CCCCOC(=O)C=C B100035 [0,1,0,0,0,0|2,0,1]=4 222 B8R0.6 CCCCOC(=O)C=C B100036 [0,1,0,0,0,0|2,0,1]=4 223 B8R0.6 CCCCOC(=O)C=C B100037 [0,1,0,0,0,0|2,0,1]=4 224 B8R0.6 CCCCOC(=O)CC B152863 [0,1,0,0,0,0|2,0,0]=3 225 B8R0.6 CCCCOC(=O)CCl B152888 [0,1,0,0,0,0|3,0,0]=4 226 B8R0.6 CCCCOC(=O)CO B134012 [0,1,0,0,0,0|3,0,0]=4 227 B8R0.6 CCCCOC(=O)CO B493056 [0,1,0,0,0,0|3,0,0]=4 228 B8R0.6 CCCCOC(=O)CS B152740 [0,1,0,0,0,0|3,0,0]=4 229 B8R0.6 COC(=O)CCCC=C M158008 [0,1,0,0,0,0|1,0,1]=3 230 B8R0.6 COC(=O)CCCC=O M589623 [0,1,0,0,0,0|1,0,1]=3 231 B8R0.6 COC(=O)CCCCBr M157983 [0,1,0,0,0,0|1,0,0]=2 232 B8R0.6 COC(=O)CCCCCl M167259 [0,1,0,0,0,0|1,0,0]=2 233 B8R0.6 COC(=O)COCCCl M195238 [0,1,0,0,0,0|2,0,0]=3 234 B8R0.6 COCCOC(=O)C=C E102687 [0,1,0,0,0,0|1,1,1]=4 235 B8R0.6 COCCOC(=O)C=C P133111 [0,1,0,0,0,0|1,1,1]=4 236 B8R0.6 COCCOC(=O)C=C P133370 [0,1,0,0,0,0|1,1,1]=4 237 B8R0.6 COCCOC(=O)C=C P136232 [0,1,0,0,0,0|1,1,1]=4 238 B8R0.8 CCCCC(=O)C(=O)C H106591 [0,1,0,0,0,0|2,0,0]=3 239 B8R0.8 CCCCC(=O)C(=O)[O-] K471800 [0,1,0,0,0,0|3,0,0]=4 240 B8R0.8 CCCCC(=O)C(C)C M158862 [0,1,0,0,0,0|2,0,0]=3 241 B8R0.8 CCCOC(=O)C(=C)C N338922 [0,1,0,0,0,0|3,0,0]=4 242 B8R0.8 CCCOC(=O)C(C)C P133971 [0,1,0,0,0,0|3,0,0]=4 243 B8R0.8 CCCOC(=O)C(C)O P160122 [0,1,0,0,0,0|3,0,0]=4 244 B8R0.8 CN(C)C(=O)CCOC M404748 [0,1,0,0,0,0|1,1,0]=3 245 B8R0.9 CC(=O)C=CC(=O)OC M157976 [0,1,0,0,0,0|1,0,2]=4 246 B8R0.9 CC(=O)C=CC(=O)OC M464501 [0,1,0,0,0,0|1,0,2]=4 247 B8R0.9 CC(=O)CCC(=O)OC M157990 [0,1,0,0,0,0|1,0,0]=2 248 B8R0.9 CC(=O)CCC(=O)OC N196982 [0,1,0,0,0,0|1,0,0]=2 249 B8R0.9 CC(=O)NCC(=O)NC A342681 [0,1,0,0,0,0|3,0,0]=4 250 B8R0.9 CC(C)CCC(=O)OC M464241 [0,1,0,0,0,0|1,0,0]=2 251 B8R0.9 CCC(=O)CCC(=O)O O165944 [0,1,0,0,0,0|3,0,0]=4 252 B8R0.9 CCC(=O)OCC(C)C I157498 [0,1,0,0,0,0|3,0,0]=4 253 B8R0.9 CN(C)CCC(=O)OC M170066 [0,1,0,0,0,0|1,0,0]=2 254 B8R0.9 COC(=O)CCC(=O)Cl M132641 [0,1,0,0,0,0|2,0,0]=3 255 B8R0.9 COC(=O)CCC(=O)N M158316 [0,1,0,0,0,0|2,0,0]=3 256 B8R0.9 COC(=O)CCC(=O)O M102991 [0,1,0,0,0,0|2,0,0]=3 257 B8R0.9 COC(=O)CCS(=O)[O-] S139412 [0,1,0,0,0,0|1,0,1]=3 258 B8R0.11 CCCC=C(CC)C=O E156033 [0,1,0,0,0,0|2,0,1]=4 259 B8R0.11 CCCCC(CC)C=O E156034 [0,1,0,0,0,0|2,0,1]=4 260 B8R0.19 CC(=CC(=O)OC)NC M167026 [0,1,0,0,0,0|1,0,2]=4 261 B8R0.19 CC(=CC(=O)OC)OC E170426 [0,1,0,0,0,0|0,1,2]=4 262 B8R0.19 CCC(=O)CC(=O)CC H102410 [0,1,0,0,0,0|2,0,1]=4 263 B8R0.19 CCC(=O)CC(=O)OC M109572 [0,1,0,0,0,0|1,0,1]=3 264 B8R0.19 CCC(C)CC(=O)CC M158857 [0,1,0,0,0,0|2,0,0]=3 265 B8R0.19 CCC(CC(=O)OC)O M465384 [0,1,0,0,0,0|1,0,0]=2 266 B8R0.19 COC(=O)CC(=O)CCl M158829 [0,1,0,0,0,0|2,0,1]=4 267 B8R0.19 COC(=O)CC(=O)OC D103051 [0,1,0,0,0,0|0,1,1]=3 268 B8R0.19 COC(=O)OC(=O)OC D135145 [0,1,0,0,0,0|1,1,1]=4 269 B8R1.1 C1C(OC(=O)O1)CO G156799 [0,0,0,1,0,0|3,0,0]=4 270 B8R1.1 C=CC1COC(=O)O1 V107647 [0,0,0,1,0,0|2,0,1]=4 271 B8R1.1 CCC1CCC(=O)O1 C111339 [0,0,0,1,0,0|3,0,0]=4 272 B8R1.1 COC1=CC(=O)CC1 M170478 [0,0,0,1,0,0|3,0,0]=4 273 B8R1.2 COC1CCCCC1 M158042 [0,0,0,1,0,0|2,0,1]=4 274 B8R1.2 COC1CCCCO1 W196195 [0,0,0,1,0,0|1,0,2]=4 275 B8R1.2 COC1CCNCC1 M176409 [0,0,0,1,0,0|2,0,1]=4 276 B8R1.2 COC1CCNCC1 M176410 [0,0,0,1,0,0|2,0,1]=4 277 B8R1.3 C1C(=O)OCC(=O)O1 G156824 [0,0,0,1,0,0|3,0,0]=4 278 B8R1.3 C1CC(=O)CCC1=O C110959 [0,0,0,1,0,0|3,0,0]=4 279 B8R1.3 C1CC(=O)CCC1N A194532 [0,0,0,1,0,0|3,0,0]=4 280 B8R1.3 C1CC(=O)CCC1O H190648 [0,0,0,1,0,0|3,0,0]=4 281 B8R1.3 C1CC(=O)NCC1O H191838 [0,0,0,1,0,0|3,0,0]=4 282 B8R1.3 CC1=NNC(=O)CC1 D135167 [0,0,0,1,0,0|3,0,0]=4 283 B8R1.3 CC1CCC(=O)CC1 M106719 [0,0,0,1,0,0|2,0,0]=3 284 B8R1.3 CC1CCC(=O)CC1 M113653 [0,0,0,1,0,0|2,0,0]=3 285 B8R1.3 CN1CCC(=O)CC1 N138232 [0,0,0,1,0,0|2,0,0]=3 286 B8R1.5 C1CCC(=O)C(=O)C1 C123365 [0,0,0,1,0,0|3,0,0]=4 287 B8R1.5 C1CCC(=O)C(C1)Br B131549 [0,0,0,1,0,0|3,0,0]=4 288 B8R1.5 C1CCC(=O)C(C1)Cl C103549 [0,0,0,1,0,0|3,0,0]=4 289 B8R1.5 C1CCC(=O)C(C1)O H133366 [0,0,0,1,0,0|3,0,0]=4 290 B8R1.5 C1COCC(C1=O)F F176973 [0,0,0,1,0,0|2,1,0]=4 291 B8R1.5 CC1CCCCC1=O M100791 [0,0,0,1,0,0|2,0,0]=3 292 B8R1.5 CC1CNCCC1=O M589544 [0,0,0,1,0,0|2,0,0]=3 293 B8R1.5 CN1CCCCC1=O N335945 [0,0,0,1,0,0|2,0,0]=3 294 B8R1.5 CN1CCCNC1=O M493197 [0,0,0,1,0,0|3,0,0]=4 295 B8R1.22 C1CC(=O)CCNC1 H121983 [0,0,0,1,0,0|2,0,0]=3 296 B8R1.22 C1CCC(=O)C=CC1 C138031 [0,0,0,1,0,0|2,0,1]=4 297 B8R1.22 C1CCC(=O)NCC1 C111698 [0,0,0,1,0,0|2,0,0]=3 298 B8R1.22 C1CCC(=O)NCC1 C111700 [0,0,0,1,0,0|2,0,0]=3 299 B8R1.22 C1CCC(=O)OCC1 C109521 [0,0,0,1,0,0|1,0,0]=2 300 B8R1.22 C1CCC(=O)OCC1 C398060 [0,0,0,1,0,0|1,0,0]=2 301 B8R1.22 C1CCC(=O)OCC1 P299385 [0,0,0,1,0,0|1,0,0]=2 302 B8R1.22 C1CCC(=O)OCC1 P398622 [0,0,0,1,0,0|1,0,0]=2 303 B8R1.22 C1CCC(=O)OCC1 P478241 [0,0,0,1,0,0|1,0,0]=2 304 B8R1.22 C1CCC(=O)OCC1 P485972 [0,0,0,1,0,0|1,0,0]=2 305 B8R1.22 C1CCC(=O)OCC1 P579406 [0,0,0,1,0,0|1,0,0]=2 306 B8R1.22 C1CCC(=S)NCC1 T140461 [0,0,0,1,0,0|2,1,0]=4 307 B8R1.22 C1CCCC(=O)CC1 C111127 [0,0,0,1,0,0|2,0,0]=3 308 B8R1.22 C1COCCNC1=O O189427 [0,0,0,1,0,0|1,1,0]=3 309 B8R1.22 C=C1OCCCCO1 M194650 [0,0,0,1,0,0|3,0,0]=4 310 B8R1.38 C1CC(C1)C(=O)NN C348580 [0,0,0,1,0,0|3,0,0]=4 311 B8R1.38 COC(=O)C1CNC1 A132584 [0,0,0,1,0,0|1,0,0]=2 312 B8R1.50 CC1=C(C(=O)CC1)Br B472647 [0,0,0,1,0,0|3,0,0]=4 313 B8R1.50 CC1=C(C(=O)CC1)O H139285 [0,0,0,1,0,0|3,0,0]=4 314 B8R1.50 CC1C(=O)CCC1=O M136868 [0,0,0,1,0,0|3,0,0]=4 315 B8R1.50 CC1CCC(=O)C1=O M109224 [0,0,0,1,0,0|3,0,0]=4 316 B8R1.50 CC1CCC(=O)N1C D467310 [0,0,0,1,0,0|2,0,0]=3 317 B8R1.50 CN1C(=O)CCC1=O N159128 [0,0,0,1,0,0|3,0,0]=4 318 B8R1.50 CN1C(CCC1=O)O H351403 [0,0,0,1,0,0|3,0,0]=4 319 B5R0.1 B(CCC)(O)O P120303 [2,0,0,0,0,0|1,0,1]=4 320 B5R0.1 C#CCC(=O)O B168856 [2,0,0,0,0,0|0,0,2]=4 321 B5R0.1 C(C#N)C(=O)O C105698 [2,0,0,0,0,0|1,0,1]=4 322 B5R0.1 C(C(=O)O)ON C109697 [2,0,0,0,0,0|1,1,0]=4 323 B5R0.1 C(CBr)C(=O)Cl B135557 [2,0,0,0,0,0|2,0,0]=4 324 B5R0.1 C(CBr)C(=O)N B152335 [2,0,0,0,0,0|2,0,0]=4 325 B5R0.1 C(CBr)C(=O)O B106081 [2,0,0,0,0,0|1,0,0]=3 326 B5R0.1 C(CCl)C(=O)Cl C109466 [2,0,0,0,0,0|2,0,0]=4 327 B5R0.1 C(CCl)C(=O)N C171099 [2,0,0,0,0,0|2,0,0]=4 328 B5R0.1 C(CCl)C(=O)O C106515 [2,0,0,0,0,0|1,0,0]=3 329 B5R0.1 C(CI)C(=O)O I157542 [2,0,0,0,0,0|1,0,0]=3 330 B5R0.1 C(CN)C(=O)N B135870 [2,0,0,0,0,0|2,0,0]=4 331 B5R0.1 C(CN)C(=O)O A105703 [2,0,0,0,0,0|1,0,0]=3 332 B5R0.1 C(CN)C(=O)O A137901 [2,0,0,0,0,0|1,0,0]=3 333 B5R0.1 C(CN)C(=O)O A494514 [2,0,0,0,0,0|1,0,0]=3 334 B5R0.1 C(CO)C(=O)O H136635 [2,0,0,0,0,0|0,1,0]=3 335 B5R0.1 C(CS(=O)O)N H303371 [2,0,0,0,0,0|2,0,0]=4 336 B5R0.1 C(CS)C(=O)O M103035 [2,0,0,0,0,0|0,0,0]=2 337 B5R0.1 C(CS)C(=O)O M103036 [2,0,0,0,0,0|0,0,0]=2 338 B5R0.1 C(CS)C(=O)O M590994 [2,0,0,0,0,0|0,0,0]=2 339 B5R0.1 C=CCC(=O)O B152769 [2,0,0,0,0,0|0,0,2]=4 340 B5R0.1 C=CCC(=O)O B152771 [2,0,0,0,0,0|0,0,2]=4 341 B5R0.1 CC#CC(=O)O B113384 [2,0,0,0,0,0|0,0,2]=4 342 B5R0.1 CC(=C)CCO M158231 [2,0,0,0,0,0|1,1,0]=4 343 B5R0.1 CC(=O)CCO H106330 [2,0,0,0,0,0|0,1,0]=3 344 B5R0.1 CC(=O)COC M158844 [2,0,0,0,0,0|0,1,0]=3 345 B5R0.1 CC(=O)NCO A151630 [2,0,0,0,0,0|1,1,0]=4 346 B5R0.1 CC(=O)OCBr B122544 [2,0,0,0,0,0|2,0,0]=4 347 B5R0.1 CC(=O)OCCl C194261 [2,0,0,0,0,0|2,0,0]=4 348 B5R0.1 CC(C)CCS M101609 [2,0,0,0,0,0|1,0,1]=4 349 B5R0.1 CC=CC(=O)C P139100 [2,0,0,0,0,0|0,0,2]=4 350 B5R0.1 CC=CC(=O)O C104149 [2,0,0,0,0,0|0,0,2]=4 351 B5R0.1 CC=CC(=O)O C104150 [2,0,0,0,0,0|0,0,2]=4 352 B5R0.1 CCC=C(C)C M158233 [2,0,0,0,0,0|1,0,1]=4 353 B5R0.1 CCCC(=C)C M158211 [2,0,0,0,0,0|1,0,0]=3 354 B5R0.1 CCCC(=O)C P103780 [2,0,0,0,0,0|0,0,0]=2 355 B5R0.1 CCCC(=O)C P103781 [2,0,0,0,0,0|0,0,0]=2 356 B5R0.1 CCCC(=O)C P103782 [2,0,0,0,0,0|0,0,0]=2 357 B5R0.1 CCCC(=O)C P103783 [2,0,0,0,0,0|0,0,0]=2 358 B5R0.1 CCCC(=O)Cl B108666 [2,0,0,0,0,0|1,0,0]=3 359 B5R0.1 CCCC(=O)N B152329 [2,0,0,0,0,0|1,0,0]=3 360 B5R0.1 CCCC(=O)O B110438 [2,0,0,0,0,0|0,0,0]=2 361 B5R0.1 CCCC(=O)O B110439 [2,0,0,0,0,0|0,0,0]=2 362 B5R0.1 CCCC(=O)O B110440 [2,0,0,0,0,0|0,0,0]=2 363 B5R0.1 CCCC(=O)O B110442 [2,0,0,0,0,0|0,0,0]=2 364 B5R0.1 CCCC(=O)O B274612 [2,0,0,0,0,0|0,0,0]=2 365 B5R0.1 CCCC(=O)O B431361 [2,0,0,0,0,0|0,0,0]=2 366 B5R0.1 CCCC(=O)[O-] S102954 [2,0,0,0,0,0|0,0,1]=3 367 B5R0.1 CCCC(=O)[O-] S102956 [2,0,0,0,0,0|0,0,1]=3 368 B5R0.1 CCCC(=O)[O-] S346178 [2,0,0,0,0,0|0,0,1]=3 369 B5R0.1 CCCC(=O)[O-] S421873 [2,0,0,0,0,0|0,0,1]=3 370 B5R0.1 CCCC(C)Br B400517 [2,0,0,0,0,0|1,0,1]=4 371 B5R0.1 CCCC(C)C I157548 [2,0,0,0,0,0|1,0,1]=4 372 B5R0.1 CCCC(C)C M105775 [2,0,0,0,0,0|1,0,1]=4 373 B5R0.1 CCCC(C)C M105776 [2,0,0,0,0,0|1,0,1]=4 374 B5R0.1 CCCC(C)C M105777 [2,0,0,0,0,0|1,0,1]=4 375 B5R0.1 CCCC(C)C M105778 [2,0,0,0,0,0|1,0,1]=4 376 B5R0.1 CCCC(C)C M137744 [2,0,0,0,0,0|1,0,1]=4 377 B5R0.1 CCCC(C)Cl C467357 [2,0,0,0,0,0|1,0,1]=4 378 B5R0.1 CCCC(C)N A151353 [2,0,0,0,0,0|1,0,1]=4 379 B5R0.1 CCCC(C)O P103442 [2,0,0,0,0,0|0,0,2]=4 380 B5R0.1 CCCC(C)O P103443 [2,0,0,0,0,0|0,0,2]=4 381 B5R0.1 CCCC(C)O R138651 [2,0,0,0,0,0|0,0,2]=4 382 B5R0.1 CCCC(C)O S138580 [2,0,0,0,0,0|0,0,2]=4 383 B5R0.1 CCCN(C)C N404354 [2,0,0,0,0,0|2,0,0]=4 384 B5R0.1 CCC[N+](=O)[O-] N109053 [2,0,0,0,0,0|1,0,1]=4 385 B5R0.1 CCNC(=O)C I135660 [2,0,0,0,0,0|1,0,0]=3 386 B5R0.1 CCNC(=O)N E105944 [2,0,0,0,0,0|2,0,0]=4 387 B5R0.1 CCOC(=N)C E132730 [2,0,0,0,0,0|2,0,0]=4 388 B5R0.1 CCOC(=O)C E116131 [2,0,0,0,0,0|1,0,0]=3 389 B5R0.1 CCOC(=O)C E116132 [2,0,0,0,0,0|1,0,0]=3 390 B5R0.1 CCOC(=O)C E116133 [2,0,0,0,0,0|1,0,0]=3 391 B5R0.1 CCOC(=O)C E116134 [2,0,0,0,0,0|1,0,0]=3 392 B5R0.1 CCOC(=O)C E116135 [2,0,0,0,0,0|1,0,0]=3 393 B5R0.1 CCOC(=O)C E116136 [2,0,0,0,0,0|1,0,0]=3 394 B5R0.1 CCOC(=O)C E116137 [2,0,0,0,0,0|1,0,0]=3 395 B5R0.1 CCOC(=O)C E116138 [2,0,0,0,0,0|1,0,0]=3 396 B5R0.1 CCOC(=O)C E116139 [2,0,0,0,0,0|1,0,0]=3 397 B5R0.1 CCOC(=O)C E116141 [2,0,0,0,0,0|1,0,0]=3 398 B5R0.1 CCOC(=O)C E116142 [2,0,0,0,0,0|1,0,0]=3 399 B5R0.1 CCOC(=O)C E119698 [2,0,0,0,0,0|1,0,0]=3 400 B5R0.1 CCOC(=O)C E141165 [2,0,0,0,0,0|1,0,0]=3 401 B5R0.1 CCOC(=O)C E302266 [2,0,0,0,0,0|1,0,0]=3 402 B5R0.1 CCOC(=O)C E432070 [2,0,0,0,0,0|1,0,0]=3 403 B5R0.1 CCOC(=O)N C266075 [2,0,0,0,0,0|2,0,0]=4 404 B5R0.1 CCOC(=O)N E424443 [2,0,0,0,0,0|2,0,0]=4 405 B5R0.1 CCOC(=O)N U108629 [2,0,0,0,0,0|2,0,0]=4 406 B5R0.1 CCOC(=O)N U299635 [2,0,0,0,0,0|2,0,0]=4 407 B5R0.1 CCO[Si](=O)O E302202 [2,0,0,0,0,0|1,1,0]=4 408 B5R0.1 CCSC(=O)C E107950 [2,0,0,0,0,0|1,0,0]=3 409 B5R0.1 CCSC(=S)C E338928 [2,0,0,0,0,0|1,1,0]=4 410 B5R0.1 CNCC(=O)N S115899 [2,0,0,0,0,0|2,0,0]=4 411 B5R0.1 CNCC(=O)O S102891 [2,0,0,0,0,0|1,0,0]=3 412 B5R0.1 CNCC(=O)O S113893 [2,0,0,0,0,0|1,0,0]=3 413 B5R0.1 CNCC(=O)O S420541 [2,0,0,0,0,0|1,0,0]=3 414 B5R0.1 CNCC(=O)[O-] S189142 [2,0,0,0,0,0|1,0,1]=4 415 B5R0.1 COCC(=O)Cl M124203 [2,0,0,0,0,0|1,1,0]=4 416 B5R0.1 COCC(=O)O M158057 [2,0,0,0,0,0|0,1,0]=3 417 B5R0.1 CSCC(=O)N M158330 [2,0,0,0,0,0|1,0,0]=3 418 B5R0.1 CSCC(=O)O M168970 [2,0,0,0,0,0|0,0,0]=2 419 B5R0.1 CSCS(=O)C M158415 [2,0,0,0,0,0|1,0,0]=3 420 B5R0.2 CCC=CCC C153487 [2,0,0,0,0,0|1,0,1]=4 421 B5R0.2 CCC=CCC H157267 [2,0,0,0,0,0|1,0,1]=4 422 B5R0.2 CCC=CCC T162372 [2,0,0,0,0,0|1,0,1]=4 423 B5R0.2 CCCC#CC H157356 [2,0,0,0,0,0|1,0,1]=4 424 B5R0.2 CCCC=CC C153486 [2,0,0,0,0,0|1,0,0]=3 425 B5R0.2 CCCC=CC H157262 [2,0,0,0,0,0|1,0,0]=3 426 B5R0.2 CCCC=CC T162371 [2,0,0,0,0,0|1,0,0]=3 427 B5R0.2 CCCC=NO B152406 [2,0,0,0,0,0|2,0,0]=4 428 B5R0.2 CCCCC=C H109530 [2,0,0,0,0,0|1,0,1]=4 429 B5R0.2 CCCCC=C H109531 [2,0,0,0,0,0|1,0,1]=4 430 B5R0.2 CCCCC=C H109532 [2,0,0,0,0,0|1,0,1]=4 431 B5R0.2 CCCCC=C H109533 [2,0,0,0,0,0|1,0,1]=4 432 B5R0.2 CCCCC=O V103717 [2,0,0,0,0,0|1,0,0]=3 433 B5R0.2 CCCCCC H100107 [2,0,0,0,0,0|1,0,1]=4 434 B5R0.2 CCCCCC H109653 [2,0,0,0,0,0|1,0,1]=4 435 B5R0.2 CCCCCC H109654 [2,0,0,0,0,0|1,0,1]=4 436 B5R0.2 CCCCCC H109656 [2,0,0,0,0,0|1,0,1]=4 437 B5R0.2 CCCCCC H109659 [2,0,0,0,0,0|1,0,1]=4 438 B5R0.2 CCCCCC H119662 [2,0,0,0,0,0|1,0,1]=4 439 B5R0.2 CCCCCC H121283 [2,0,0,0,0,0|1,0,1]=4 440 B5R0.2 CCCCCC H140380 [2,0,0,0,0,0|1,0,1]=4 441 B5R0.2 CCCCCC H298923 [2,0,0,0,0,0|1,0,1]=4 442 B5R0.2 CCCCCC N431441 [2,0,0,0,0,0|1,0,1]=4 443 B5R0.2 CCCCCO N350217 [2,0,0,0,0,0|1,0,1]=4 444 B5R0.2 CCCCCO P108125 [2,0,0,0,0,0|1,0,1]=4 445 B5R0.2 CCCCCO P108126 [2,0,0,0,0,0|1,0,1]=4 446 B5R0.2 CCCCCO P108127 [2,0,0,0,0,0|1,0,1]=4 447 B5R0.2 CCCCCO P108128 [2,0,0,0,0,0|1,0,1]=4 448 B5R0.2 CCCCCO P108129 [2,0,0,0,0,0|1,0,1]=4 449 B5R0.2 CCCCCO P108130 [2,0,0,0,0,0|1,0,1]=4 450 B5R0.2 CCCCCS A100028 [2,0,0,0,0,0|1,0,1]=4 451 B5R0.2 CCCCOC B152821 [2,0,0,0,0,0|0,0,1]=3 452 B5R0.2 CCCCON O184596 [2,0,0,0,0,0|1,0,1]=4 453 B5R0.2 CCCCSC B152508 [2,0,0,0,0,0|0,0,1]=3 454 B5R0.2 CCCNCC N159096 [2,0,0,0,0,0|2,0,0]=4 455 B5R0.2 CCCOC=O P160055 [2,0,0,0,0,0|2,0,0]=4 456 B5R0.2 CCCOCC E156162 [2,0,0,0,0,0|2,0,0]=4 457 B5R0.2 CCCSCC E134963 [2,0,0,0,0,0|2,0,0]=4 458 B5R0.2 CCCSSC M103114 [2,0,0,0,0,0|1,0,1]=4 459 B5R0.2 CCOC=CC E122346 [2,0,0,0,0,0|2,0,0]=4 460 B5R0.2 CNCCCO M133702 [2,0,0,0,0,0|1,0,1]=4 461 B5R0.2 CNCCNC D106275 [2,0,0,0,0,0|2,0,0]=4 462 B5R0.2 CNCCOC N159090 [2,0,0,0,0,0|1,0,0]=3 463 B5R0.2 COCCC#N M158577 [2,0,0,0,0,0|2,0,0]=4 464 B5R0.2 COCCCBr B136284 [2,0,0,0,0,0|1,0,1]=4 465 B5R0.2 COCCCCl C108061 [2,0,0,0,0,0|1,0,1]=4 466 B5R0.2 COCCCN M134485 [2,0,0,0,0,0|1,0,1]=4 467 B5R0.2 COCCCN M587821 [2,0,0,0,0,0|1,0,1]=4 468 B5R0.2 COCCCO M107732 [2,0,0,0,0,0|0,1,1]=4 469 B5R0.2 COCCOC D299631 [2,0,0,0,0,0|0,1,0]=3 470 B5R0.2 COCCOC E104387 [2,0,0,0,0,0|0,1,0]=3 471 B5R0.2 COCCOC E104388 [2,0,0,0,0,0|0,1,0]=3 472 B5R0.2 COCCOC E104391 [2,0,0,0,0,0|0,1,0]=3 473 B5R0.2 COCCOC E119676 [2,0,0,0,0,0|0,1,0]=3 474 B5R0.2 COCCOC I282413 [2,0,0,0,0,0|0,1,0]=3 475 B5R0.2 COCCOC P107530 [2,0,0,0,0,0|0,1,0]=3 476 B5R0.2 COCCOC P432396 [2,0,0,0,0,0|0,1,0]=3 477 B5R0.2 COCCOC P432397 [2,0,0,0,0,0|0,1,0]=3 478 B5R0.2 COCCOC P432398 [2,0,0,0,0,0|0,1,0]=3 479 B5R0.2 CSCCC=O M109548 [2,0,0,0,0,0|0,0,0]=2 480 B5R0.2 CSCCCN M158420 [2,0,0,0,0,0|1,0,1]=4 481 B5R0.2 CSCCCO M102967 [2,0,0,0,0,0|0,0,1]=3 482 B5R0.2 CSSCC=C M103119 [2,0,0,0,0,0|1,0,1]=4 483 B5R0.3 CCC(=C)CC E156179 [2,0,0,0,0,0|2,0,0]=4 484 B5R0.3 CCC(=CC)C T162381 [2,0,0,0,0,0|2,0,0]=4 485 B5R0.3 CCC(=O)CC P103791 [2,0,0,0,0,0|1,0,0]=3 486 B5R0.3 CCC(=O)CC P103792 [2,0,0,0,0,0|1,0,0]=3 487 B5R0.3 CCC(=O)CC P103794 [2,0,0,0,0,0|1,0,0]=3 488 B5R0.3 CCC(=O)CO H193640 [2,0,0,0,0,0|1,1,0]=4 489 B5R0.3 CCC(=O)NC N159394 [2,0,0,0,0,0|1,0,0]=3 490 B5R0.3 CCC(=O)NN P342062 [2,0,0,0,0,0|2,0,0]=4 491 B5R0.3 CCC(=O)OC M110420 [2,0,0,0,0,0|0,0,0]=2 492 B5R0.3 CCC(=O)OC M110421 [2,0,0,0,0,0|0,0,0]=2 493 B5R0.3 CCC(=O)OC M110422 [2,0,0,0,0,0|0,0,0]=2 494 B5R0.3 CCC(=O)OC M491732 [2,0,0,0,0,0|0,0,0]=2 495 B5R0.3 CCC(=O)SC S404755 [2,0,0,0,0,0|0,1,0]=3 496 B5R0.3 CCC(C)OC S161061 [2,0,0,0,0,0|1,0,1]=4 497 B5R0.3 CCS(=O)CC E589941 [2,0,0,0,0,0|2,0,0]=4 498 B5R0.3 CC[P+](=O)CC D332476 [2,0,0,0,0,0|2,0,0]=4 499 B5R0.3 CNC(=O)CBr B588815 [2,0,0,0,0,0|2,0,0]=4 500 B5R0.3 CNC(=O)CCl C124467 [2,0,0,0,0,0|2,0,0]=4 501 B5R0.3 CNC(=O)CN A182951 [2,0,0,0,0,0|2,0,0]=4 502 B5R0.3 CNC(=O)CS M124593 [2,0,0,0,0,0|1,0,0]=3 503 B5R0.3 CNC(=O)NC D104702 [2,0,0,0,0,0|2,0,0]=4 504 B5R0.3 COC(=O)C#C M106792 [2,0,0,0,0,0|0,0,2]=4 505 B5R0.3 COC(=O)C=C M100029 [2,0,0,0,0,0|0,0,2]=4 506 B5R0.3 COC(=O)C=C M100030 [2,0,0,0,0,0|0,0,2]=4 507 B5R0.3 COC(=O)C=C M100032 [2,0,0,0,0,0|0,0,2]=4 508 B5R0.3 COC(=O)C=C M100033 [2,0,0,0,0,0|0,0,2]=4 509 B5R0.3 COC(=O)CBr M106900 [2,0,0,0,0,0|1,0,0]=3 510 B5R0.3 COC(=O)CCl M104120 [2,0,0,0,0,0|1,0,0]=3 511 B5R0.3 COC(=O)CCl M104121 [2,0,0,0,0,0|1,0,0]=3 512 B5R0.3 COC(=O)CCl M305846 [2,0,0,0,0,0|1,0,0]=3 513 B5R0.3 COC(=O)CN G105475 [2,0,0,0,0,0|1,0,0]=3 514 B5R0.3 COC(=O)CO M101718 [2,0,0,0,0,0|0,1,0]=3 515 B5R0.3 COC(=O)CS M103140 [2,0,0,0,0,0|0,0,0]=2 516 B5R0.3 COC(=O)NN M106002 [2,0,0,0,0,0|2,0,0]=4 517 B5R0.3 COC(=O)OC D110623 [2,0,0,0,0,0|0,1,0]=3 518 B5R0.3 COC(=O)OC D110625 [2,0,0,0,0,0|0,1,0]=3 519 B5R0.3 COC(=O)OC D119695 [2,0,0,0,0,0|0,1,0]=3 520 B5R0.3 COC(=O)OC D294884 [2,0,0,0,0,0|0,1,0]=3 521 B5R0.3 COC(=O)OC D433121 [2,0,0,0,0,0|0,1,0]=3 522 B5R0.3 COC(=O)OC D433122 [2,0,0,0,0,0|0,1,0]=3 523 B5R0.3 COC(=O)OC D433123 [2,0,0,0,0,0|0,1,0]=3 524 B5R0.3 COS(=O)OC D106795 [2,0,0,0,0,0|1,1,0]=4 525 B5R0.3 CO[P+](=O)OC D304802 [2,0,0,0,0,0|1,1,0]=4 526 B5R0.3 CSC(=S)SC D349451 [2,0,0,0,0,0|0,2,0]=4 527 B7R0.2 CC(=CC(=O)OC)C M102001 [1,1,0,0,0,0|0,0,2]=4 528 B7R0.2 CC(=CC(=O)OC)N A102015 [1,1,0,0,0,0|0,0,2]=4 529 B7R0.2 CC(=O)CC(=O)OC M108598 [1,1,0,0,0,0|0,0,1]=3 530 B7R0.2 CC(=O)CC(=O)OC M108599 [1,1,0,0,0,0|0,0,1]=3 531 B7R0.2 CC(=O)CC(=O)OC M108601 [1,1,0,0,0,0|0,0,1]=3 532 B7R0.2 CC(C)CC(=O)OC M157988 [1,1,0,0,0,0|0,0,0]=2 533 B7R0.2 CC(CC(=O)OC)N R190811 [1,1,0,0,0,0|0,0,0]=2 534 B7R0.2 CC(CC(=O)OC)N S587134 [1,1,0,0,0,0|0,0,0]=2 535 B7R0.2 CC(CC(=O)OC)O H124084 [1,1,0,0,0,0|0,0,0]=2 536 B7R0.2 CC(CC(=O)OC)O H124101 [1,1,0,0,0,0|0,0,0]=2 537 B7R0.2 CCC(=O)CC(=O)C H192611 [1,1,0,0,0,0|1,0,1]=4 538 B7R0.2 CCC(=O)CC(C)C E156458 [1,1,0,0,0,0|1,0,0]=3 539 B7R0.2 CCC(=O)OC(C)C I157496 [1,1,0,0,0,0|2,0,0]=4 540 B7R0.2 CN(C)CC(=O)OC N304465 [1,1,0,0,0,0|1,0,0]=3 541 B7R0.2 COC(=O)CC(=O)Cl M106674 [1,1,0,0,0,0|0,1,1]=4 542 B7R0.2 COC(=O)CC(=O)Cl M489935 [1,1,0,0,0,0|0,1,1]=4 543 B7R0.2 COC(=O)CC(=O)Cl M615708 [1,1,0,0,0,0|0,1,1]=4 544 B7R0.2 COC(=O)CC(=O)O M132669 [1,1,0,0,0,0|0,1,1]=4 545 B7R0.2 COC(=O)CC(=O)[O-] H135114 [1,1,0,0,0,0|0,1,1]=4 546 B7R0.2 COC(=O)C[N+](=O)[O-] M158866 [1,1,0,0,0,0|1,1,0]=4 547 B7R0.2 C\C(=C\C(=O)OC)\[O-] M579792 [1,1,0,0,0,0|0,0,2]=4 548 B7R0.5 CCCC(=O)C(=O)C H106696 [1,1,0,0,0,0|1,0,0]=3 549 B7R0.5 CCCC(=O)C(=O)O O159954 [1,1,0,0,0,0|2,0,0]=4 550 B7R0.5 CCOC(=O)C(=C)C E103001 [1,1,0,0,0,0|2,0,0]=4 551 B7R0.5 CCOC(=O)C(=C)C E103002 [1,1,0,0,0,0|2,0,0]=4 552 B7R0.5 CCOC(=O)C(=C)C E492609 [1,1,0,0,0,0|2,0,0]=4 553 B7R0.5 CCOC(=O)C(=O)C E113332 [1,1,0,0,0,0|2,0,0]=4 554 B7R0.5 CCOC(=O)C(C)Br E106089 [1,1,0,0,0,0|2,0,0]=4 555 B7R0.5 CCOC(=O)C(C)Br E400066 [1,1,0,0,0,0|2,0,0]=4 556 B7R0.5 CCOC(=O)C(C)C E156123 [1,1,0,0,0,0|2,0,0]=4 557 B7R0.5 CCOC(=O)C(C)Cl E100647 [1,1,0,0,0,0|2,0,0]=4 558 B7R0.5 CCOC(=O)C(C)F E135615 [1,1,0,0,0,0|2,0,0]=4 559 B7R0.5 CCOC(=O)C(C)I E156364 [1,1,0,0,0,0|2,0,0]=4 560 B7R0.5 CCOC(=O)C(C)N A109010 [1,1,0,0,0,0|2,0,0]=4 561 B7R0.5 CCOC(=O)C(C)N A117183 [1,1,0,0,0,0|2,0,0]=4 562 B7R0.5 CCOC(=O)C(C)N D304158 [1,1,0,0,0,0|2,0,0]=4 563 B7R0.5 CCOC(=O)C(C)O E104551 [1,1,0,0,0,0|2,0,0]=4 564 B7R0.5 CCOC(=O)C(C)O E104553 [1,1,0,0,0,0|2,0,0]=4 565 B7R0.5 CCOC(=O)C(C)O E104554 [1,1,0,0,0,0|2,0,0]=4 566 B7R0.5 CCOC(=O)C(C)O E108228 [1,1,0,0,0,0|2,0,0]=4 567 B7R0.5 CCOC(=O)C(C)O E108230 [1,1,0,0,0,0|2,0,0]=4 568 B7R0.5 CCOC(=O)C(C)O E465744 [1,1,0,0,0,0|2,0,0]=4 569 B7R0.5 CCOC(=O)C(C)S E156189 [1,1,0,0,0,0|2,0,0]=4 570 B7R0.5 CN(C)C(=O)COC M589066 [1,1,0,0,0,0|1,1,0]=4 571 B7R0.7 CCCC(=O)CCC H103840 [1,1,0,0,0,0|1,0,0]=3 572 B7R0.7 CCCC(=O)CCC H103841 [1,1,0,0,0,0|1,0,0]=3 573 B7R0.7 CCCC(=O)OC=C V162944 [1,1,0,0,0,0|0,0,1]=3 574 B7R0.7 CCCC(=O)OCC E101116 [1,1,0,0,0,0|0,0,0]=2 575 B7R0.7 CCCC(=O)OCC E101117 [1,1,0,0,0,0|0,0,0]=2 576 B7R0.7 CCCC(=O)OCC E101119 [1,1,0,0,0,0|0,0,0]=2 577 B7R0.7 CCCC(=O)OCCl C153957 [1,1,0,0,0,0|0,0,0]=2 578 B7R0.7 CCNC(=O)NCC D108032 [1,1,0,0,0,0|2,0,0]=4 579 B7R0.7 CCOC(=O)C#CC E106247 [1,1,0,0,0,0|0,0,2]=4 580 B7R0.7 CCOC(=O)C=CC E156252 [1,1,0,0,0,0|0,0,2]=4 581 B7R0.7 CCOC(=O)CC#N E105739 [1,1,0,0,0,0|1,0,1]=4 582 B7R0.7 CCOC(=O)CC#N E105740 [1,1,0,0,0,0|1,0,1]=4 583 B7R0.7 CCOC(=O)CC=C E587504 [1,1,0,0,0,0|0,0,2]=4 584 B7R0.7 CCOC(=O)CCBr E106956 [1,1,0,0,0,0|1,0,0]=3 585 B7R0.7 CCOC(=O)CCCl E100652 [1,1,0,0,0,0|1,0,0]=3 586 B7R0.7 CCOC(=O)CCI E185756 [1,1,0,0,0,0|1,0,0]=3 587 B7R0.7 CCOC(=O)CCN A100434 [1,1,0,0,0,0|1,0,0]=3 588 B7R0.7 CCOC(=O)CCO E185621 [1,1,0,0,0,0|0,1,0]=3 589 B7R0.7 CCOC(=O)CCS E119585 [1,1,0,0,0,0|0,0,0]=2 590 B7R0.7 CCOC(=O)CC[CH2-] E465885 [1,1,0,0,0,0|0,0,1]=3 591 B7R0.7 CCOC(=O)CNC E115901 [1,1,0,0,0,0|1,0,0]=3 592 B7R0.7 CCOC(=O)CNN E134414 [1,1,0,0,0,0|2,0,0]=4 593 B7R0.7 CCOC(=O)COC E136304 [1,1,0,0,0,0|0,1,0]=3 594 B7R0.7 CCOC(=O)CSC E156475 [1,1,0,0,0,0|0,0,0]=2 595 B7R0.7 CCOC(=O)C[N+]#[C-] E156037 [1,1,0,0,0,0|1,0,1]=4 596 B7R0.7 CCOC(=O)C[N+]#[C-] E400243 [1,1,0,0,0,0|1,0,1]=4 597 B7R0.7 CCOC(=O)OCC D103040 [1,1,0,0,0,0|1,0,0]=3 598 B7R0.7 CCOC(=O)OCCl C192930 [1,1,0,0,0,0|1,0,0]=3 599 B7R0.7 CCOS(=O)OCC D122901 [1,1,0,0,0,0|2,0,0]=4 600 B7R0.7 CCO[P+](=O)OCC D109100 [1,1,0,0,0,0|2,0,0]=4 601 B7R0.10 CC(C(=O)OC)NC S587983 [1,1,0,0,0,0|1,0,0]=3 602 B7R0.10 CC(CBr)C(=O)OC M158847 [1,1,0,0,0,0|1,0,0]=3 603 B7R0.10 CC(CBr)C(=O)OC M409449 [1,1,0,0,0,0|1,0,0]=3 604 B7R0.10 CC(CO)C(=O)OC M589106 [1,1,0,0,0,0|0,1,0]=3 605 B7R0.10 CC(CO)C(=O)OC R136025 [1,1,0,0,0,0|0,1,0]=3 606 B7R0.10 CC(CO)C(=O)OC S133601 [1,1,0,0,0,0|0,1,0]=3 607 B7R0.10 CC=C(C)C(=O)OC M158196 [1,1,0,0,0,0|0,0,2]=4 608 B7R0.10 CCC(=O)C(=O)CC H102539 [1,1,0,0,0,0|1,0,1]=4 609 B7R0.10 CCC(C(=O)CC)O P121219 [1,1,0,0,0,0|1,0,0]=3 610 B7R0.10 CCC(C(=O)OC)Br M110203 [1,1,0,0,0,0|0,0,0]=2 611 B7R0.10 CCC(C(=O)OC)N D134538 [1,1,0,0,0,0|0,0,0]=2 612 B7R0.10 CCC(C(=O)OC)N S304011 [1,1,0,0,0,0|0,0,0]=2 613 B7R0.10 CCC(C(=O)OC)O M588620 [1,1,0,0,0,0|0,0,0]=2 614 B7R0.10 CCC(C(=O)OC)O M590030 [1,1,0,0,0,0|0,0,0]=2 615 B7R0.10 CCC(C(=O)OC)O R590029 [1,1,0,0,0,0|0,0,0]=2 616 B7R0.10 CCC(C)C(=O)OC M157989 [1,1,0,0,0,0|0,0,0]=2 617 B7R0.10 COC(=O)C(=C)CBr M138825 [1,1,0,0,0,0|1,0,1]=4 618 B7R0.10 COC(=O)C(=C)CO M167537 [1,1,0,0,0,0|0,1,1]=4 619 B7R0.10 COC(=O)C(=O)CBr M572938 [1,1,0,0,0,0|1,0,1]=4 620 B7R0.10 COC(=O)C(=O)OC D103008 [1,1,0,0,0,0|0,1,1]=4 621 B7R0.10 COC(=O)C(=O)OC D103009 [1,1,0,0,0,0|0,1,1]=4 622 B7R0.10 COC(=O)C(CBr)Br M167887 [1,1,0,0,0,0|1,0,0]=3 623 B7R0.10 COC(=O)C(CCl)Cl M121841 [1,1,0,0,0,0|1,0,0]=3 624 B7R0.10 COC(=O)C(CCl)N M588771 [1,1,0,0,0,0|1,0,0]=3 625 B7R0.10 COC(=O)C(CCl)N S134256 [1,1,0,0,0,0|1,0,0]=3 626 B7R0.10 COC(=O)C(CO)N S101064 [1,1,0,0,0,0|0,1,0]=3 627 B7R0.10 COC(=O)C(CO)N S109008 [1,1,0,0,0,0|0,1,0]=3 628 B7R0.10 COC(=O)C(CO)N S117181 [1,1,0,0,0,0|0,1,0]=3 629 B7R0.10 COC(=O)C(CO)O R587787 [1,1,0,0,0,0|0,1,0]=3 630 B7R0.10 COC(=O)C(CO)O S178884 [1,1,0,0,0,0|0,1,0]=3 631 B7R0.10 COC(=O)C(CS)N C105474 [1,1,0,0,0,0|0,0,0]=2 632 B7R0.10 COC(=O)C(CS)N S133993 [1,1,0,0,0,0|0,0,0]=2 633 B7R0.12 COC(CSC)OC M133839 [1,1,0,0,0,0|0,0,2]=4 634 B7R0.4 C#CCCCC(=O)O H111132 [1,1,0,0,0,0|1,0,1]=4 635 B7R0.4 C(CC#N)CC(=O)O C184246 [1,1,0,0,0,0|1,0,1]=4 636 B7R0.4 C(CCBr)CC(=O)Cl B138857 [1,1,0,0,0,0|2,0,0]=4 637 B7R0.4 C(CCBr)CC(=O)O B106966 [1,1,0,0,0,0|1,0,0]=3 638 B7R0.4 C(CCCl)CC(=O)Cl C102473 [1,1,0,0,0,0|2,0,0]=4 639 B7R0.4 C(CCCl)CC(=O)O C153468 [1,1,0,0,0,0|1,0,0]=3 640 B7R0.4 C(CCN)CC(=O)O A107493 [1,1,0,0,0,0|1,0,0]=3 641 B7R0.4 C(CCN)CC(=O)O A151151 [1,1,0,0,0,0|1,0,0]=3 642 B7R0.4 C(CCN)CC(=O)O A151349 [1,1,0,0,0,0|1,0,0]=3 643 B7R0.4 C(CCN)CC(=O)O A491891 [1,1,0,0,0,0|1,0,0]=3 644 B7R0.4 C(CCN)CC(=O)O A491894 [1,1,0,0,0,0|1,0,0]=3 645 B7R0.4 C(CCO)CC(=O)[O-] H184096 [1,1,0,0,0,0|1,0,1]=4 646 B7R0.4 C(CNCC(=O)O)N A124646 [1,1,0,0,0,0|2,0,0]=4 647 B7R0.4 C=CCCCC(=O)O H157078 [1,1,0,0,0,0|1,0,1]=4 648 B7R0.4 CC(=O)CCCC#N K157732 [1,1,0,0,0,0|1,0,1]=4 649 B7R0.4 CC(=O)CCCCCl C108058 [1,1,0,0,0,0|1,0,0]=3 650 B7R0.4 CC(=O)OCCCCl C135233 [1,1,0,0,0,0|2,0,0]=4 651 B7R0.4 CC(=O)OCCOC M106167 [1,1,0,0,0,0|0,1,0]=3 652 B7R0.4 CC(=O)SCCCBr B333089 [1,1,0,0,0,0|2,0,0]=4 653 B7R0.4 CCC=CCC(=O)O H101494 [1,1,0,0,0,0|1,0,1]=4 654 B7R0.4 CCCC=CC(=O)C H156932 [1,1,0,0,0,0|1,0,1]=4 655 B7R0.4 CCCC=CC(=O)O H107513 [1,1,0,0,0,0|1,0,1]=4 656 B7R0.4 CCCC=CC(=O)O H400070 [1,1,0,0,0,0|1,0,1]=4 657 B7R0.4 CCCCCC(=C)C M158504 [1,1,0,0,0,0|2,0,0]=4 658 B7R0.4 CCCCCC(=O)C H103803 [1,1,0,0,0,0|1,0,0]=3 659 B7R0.4 CCCCCC(=O)C H103827 [1,1,0,0,0,0|1,0,0]=3 660 B7R0.4 CCCCCC(=O)Cl H102419 [1,1,0,0,0,0|2,0,0]=4 661 B7R0.4 CCCCCC(=O)Cl H130076 [1,1,0,0,0,0|2,0,0]=4 662 B7R0.4 CCCCCC(=O)N H157108 [1,1,0,0,0,0|2,0,0]=4 663 B7R0.4 CCCCCC(=O)O H103630 [1,1,0,0,0,0|1,0,0]=3 664 B7R0.4 CCCCCC(=O)O H103631 [1,1,0,0,0,0|1,0,0]=3 665 B7R0.4 CCCCCC(=O)O H103632 [1,1,0,0,0,0|1,0,0]=3 666 B7R0.4 CCCCCC(=O)O H278778 [1,1,0,0,0,0|1,0,0]=3 667 B7R0.4 CCCCCC(=O)O H432079 [1,1,0,0,0,0|1,0,0]=3 668 B7R0.4 CCCCCC(=O)[O-] S161313 [1,1,0,0,0,0|1,0,1]=4 669 B7R0.4 CCCCNC(=O)N B152704 [1,1,0,0,0,0|2,0,0]=4 670 B7R0.4 CCCCOC(=O)C B116224 [1,1,0,0,0,0|1,0,0]=3 671 B7R0.4 CCCCOC(=O)C B116225 [1,1,0,0,0,0|1,0,0]=3 672 B7R0.4 CCCCOC(=O)C B116227 [1,1,0,0,0,0|1,0,0]=3 673 B7R0.4 CCCCOC(=O)C B116228 [1,1,0,0,0,0|1,0,0]=3 674 B7R0.4 CCCCOC(=O)C B119685 [1,1,0,0,0,0|1,0,0]=3 675 B7R0.4 CCCCOC(=O)N B152422 [1,1,0,0,0,0|2,0,0]=4 676 B7R0.4 CCOCCC(=O)C E156453 [1,1,0,0,0,0|0,1,0]=3 677 B7R0.4 CCOCCC(=O)O E156172 [1,1,0,0,0,0|0,1,0]=3 678 B7R0.4 CNCCCC(=O)O M276212 [1,1,0,0,0,0|1,0,0]=3 679 B7R0.4 CNCCCC(=O)O M397624 [1,1,0,0,0,0|1,0,0]=3 680 B7R0.4 COCC=CC(=O)O E589767 [1,1,0,0,0,0|0,1,1]=4 681 B7R0.4 COCCCC(=O)O M192558 [1,1,0,0,0,0|0,1,0]=3 682 B7R0.4 COCCOC(=O)Cl M158778 [1,1,0,0,0,0|1,1,0]=4 683 B7R0.4 [CH]CCCCC(=O)[N] P111447 [1,1,0,0,0,0|2,0,0]=4 684 B7R0.4 [CH]CCCCC(=O)[N] P128923 [1,1,0,0,0,0|2,0,0]=4 685 B7R0.6 C(CC(=O)O)C(=O)O P111885 [1,1,0,0,0,0|2,0,0]=4 686 B7R0.6 C(CC(=O)O)C(=O)O S108852 [1,1,0,0,0,0|2,0,0]=4 687 B7R0.6 C(CC(=O)O)C(=O)O S108853 [1,1,0,0,0,0|2,0,0]=4 688 B7R0.6 C(CC(=O)O)C(=O)O S108854 [1,1,0,0,0,0|2,0,0]=4 689 B7R0.6 C(CC(=O)O)C(=O)O S108855 [1,1,0,0,0,0|2,0,0]=4 690 B7R0.6 C(CC(=O)O)C(=O)O S108856 [1,1,0,0,0,0|2,0,0]=4 691 B7R0.6 C(CC(=O)O)C(=O)O S303059 [1,1,0,0,0,0|2,0,0]=4 692 B7R0.6 C(CC(=O)O)C(=O)O S346179 [1,1,0,0,0,0|2,0,0]=4 693 B7R0.6 C(CC(=O)O)C(=O)O S420589 [1,1,0,0,0,0|2,0,0]=4 694 B7R0.6 C(CC(=O)O)C(=O)O S431423 [1,1,0,0,0,0|2,0,0]=4 695 B7R0.6 C(CC(=O)O)C(=O)O S431424 [1,1,0,0,0,0|2,0,0]=4 696 B7R0.6 C(CC(=O)O)C(=O)O S472090 [1,1,0,0,0,0|2,0,0]=4 697 B7R0.6 C(CC(=O)[O-])C(=O)O M158056 [1,1,0,0,0,0|2,0,0]=4 698 B7R0.6 C(C[N+](=O)[O-])C(=O)O N106587 [1,1,0,0,0,0|2,0,0]=4 699 B7R0.6 CC(=C)CCC(=C)C D155280 [1,1,0,0,0,0|2,0,0]=4 700 B7R0.6 CC(=C)COC(=O)C M158238 [1,1,0,0,0,0|2,0,0]=4 701 B7R0.6 CC(=O)CCC(=O)C H106697 [1,1,0,0,0,0|1,0,0]=3 702 B7R0.6 CC(=O)CCC(=O)C H106698 [1,1,0,0,0,0|1,0,0]=3 703 B7R0.6 CC(=O)CCC(=O)C H106699 [1,1,0,0,0,0|1,0,0]=3 704 B7R0.6 CC(=O)CCC(=O)O L104281 [1,1,0,0,0,0|1,0,0]=3 705 B7R0.6 CC(=O)CCC(=O)O L278641 [1,1,0,0,0,0|1,0,0]=3 706 B7R0.6 CC(=O)CCC(=O)O L298748 [1,1,0,0,0,0|1,0,0]=3 707 B7R0.6 CC(=O)CCC(=O)O L421026 [1,1,0,0,0,0|1,0,0]=3 708 B7R0.6 CC(=O)COC(=O)C A151657 [1,1,0,0,0,0|2,0,0]=4 709 B7R0.6 CC(=O)NCC(=O)O A103973 [1,1,0,0,0,0|2,0,0]=4 710 B7R0.6 CC(=O)OCC(=O)O A167143 [1,1,0,0,0,0|2,0,0]=4 711 B7R0.6 CC(=O)SCC(=O)O S131714 [1,1,0,0,0,0|2,0,0]=4 712 B7R0.6 CC(=S)NCC(=O)O N159832 [1,1,0,0,0,0|2,0,0]=4 713 B7R0.6 CC(C)CCC(=C)C D155278 [1,1,0,0,0,0|2,0,0]=4 714 B7R0.6 CC(C)CCC(=O)C M106666 [1,1,0,0,0,0|1,0,0]=3 715 B7R0.6 CC(C)CCC(=O)Cl M158759 [1,1,0,0,0,0|2,0,0]=4 716 B7R0.6 CC(C)CCC(=O)O M117869 [1,1,0,0,0,0|1,0,0]=3 717 B7R0.6 CC(C)COC(=O)C I110418 [1,1,0,0,0,0|2,0,0]=4 718 B7R0.6 CC(C)COC(=O)C I110419 [1,1,0,0,0,0|2,0,0]=4 719 B7R0.6 CN(C)CCC(=O)O D132248 [1,1,0,0,0,0|1,0,0]=3 720 B7R0.6 C[S+](C)CCC(=O)O C153876 [1,1,0,0,0,0|0,0,1]=3 721 B7R0.8 CCCCP(=O)(O)O B405418 [1,1,0,0,0,0|2,0,0]=4 722 B7R0.8 CNCCS(=O)(=O)O M586325 [1,1,0,0,0,0|2,0,0]=4 723 B7R0.1 CCCCC=CCC C153584 [1,1,0,0,0,0|2,0,0]=4 724 B7R0.1 CCCCC=CCC T161817 [1,1,0,0,0,0|2,0,0]=4 725 B7R0.1 CCCCC=CCO T161435 [1,1,0,0,0,0|2,0,0]=4 726 B7R0.1 CCCCCC=CC C153583 [1,1,0,0,0,0|2,0,0]=4 727 B7R0.1 CCCCCC=CC O159996 [1,1,0,0,0,0|2,0,0]=4 728 B7R0.1 CCCCCC=CC T161814 [1,1,0,0,0,0|2,0,0]=4 729 B7R0.1 CCCCCCOC H157292 [1,1,0,0,0,0|1,0,1]=4 730 B7R0.1 CCCNCCOC N158962 [1,1,0,0,0,0|1,0,1]=4 731 B9R0.5 CCC=CCC(=O)OCC E117700 [0,2,0,0,0,0|1,0,1]=4 732 B9R0.5 CCCC=CC(=O)OCC E117526 [0,2,0,0,0,0|1,0,1]=4 733 B9R0.5 CCCCCC(=O)CCC N158991 [0,2,0,0,0,0|2,0,0]=4 734 B9R0.5 CCCCCC(=O)OC=C V162949 [0,2,0,0,0,0|1,0,1]=4 735 B9R0.5 CCCCCC(=O)OCC E103497 [0,2,0,0,0,0|1,0,0]=3 736 B9R0.5 CCCCCC(=O)OCC E103498 [0,2,0,0,0,0|1,0,0]=3 737 B9R0.5 CCCCCC(=O)OCC E103499 [0,2,0,0,0,0|1,0,0]=3 738 B9R0.5 CCCCOC(=O)C=CC B152883 [0,2,0,0,0,0|2,0,0]=4 739 B9R0.5 CCCCOC(=O)C=CC B293404 [0,2,0,0,0,0|2,0,0]=4 740 B9R0.5 CCCCOC(=O)CCC B103463 [0,2,0,0,0,0|2,0,0]=4 741 B9R0.5 CCCCOC(=O)CCC B103464 [0,2,0,0,0,0|2,0,0]=4 742 B9R0.5 CCCCOC(=O)CCS B340486 [0,2,0,0,0,0|2,0,0]=4 743 B9R0.5 CCOC(=O)CCCCBr E156150 [0,2,0,0,0,0|1,0,0]=3 744 B9R0.5 CCOC(=O)CCCCN E183506 [0,2,0,0,0,0|1,0,0]=3 745 B9R0.5 CCOC(=O)CCN=C=O E170679 [0,2,0,0,0,0|1,0,1]=4 746 B9R0.5 CCOC(=O)COCCCl E305168 [0,2,0,0,0,0|2,0,0]=4 747 B9R0.5 CCOCCC(=O)OCC E108066 [0,2,0,0,0,0|0,1,0]=3 748 B9R0.8 CCCCC(C(=O)OC)Br M111380 [0,2,0,0,0,0|1,0,0]=3 749 B9R0.8 CCCCC(C(=O)OC)N D134849 [0,2,0,0,0,0|1,0,0]=3 750 B9R0.8 COC(=O)C(CCCBr)Br M184869 [0,2,0,0,0,0|1,0,0]=3 751 B9R0.8 COC(=O)C(CCCN)N O116997 [0,2,0,0,0,0|1,0,0]=3 752 B9R0.8 COC(=O)C(CCSC)N M109222 [0,2,0,0,0,0|0,0,0]=2 753 B9R0.8 COC(=O)C(CCSC)N M587493 [0,2,0,0,0,0|0,0,0]=2 754 B9R0.18 CCCCC(=O)CCCC N102321 [0,2,0,0,0,0|2,0,0]=4 755 B9R0.18 CCCOC(=O)OCCC D107452 [0,2,0,0,0,0|2,0,0]=4 756 B9R0.34 CCC(=O)CC(=O)OCC E122416 [0,2,0,0,0,0|1,0,1]=4 757 B9R0.34 CCC(C)CC(=O)OCC E117866 [0,2,0,0,0,0|1,0,0]=3 758 B9R0.34 CCCC(=O)CC(=O)OC M158148 [0,2,0,0,0,0|1,0,0]=3 759 B9R0.34 CCOC(=O)CC(CCl)O C108078 [0,2,0,0,0,0|2,0,0]=4 760 B9R0.34 CCOC(=O)CC(CCl)O C108079 [0,2,0,0,0,0|2,0,0]=4 761 B9R0.34 COCC(=O)CC(=O)OC M119946 [0,2,0,0,0,0|0,1,0]=3 762 B9R0.35 CCCC(C(=O)CCC)O H101582 [0,2,0,0,0,0|2,0,0]=4 763 B9R0.35 CCCC(C(=O)OCC)Br E139089 [0,2,0,0,0,0|1,0,0]=3 764 B9R0.35 CCCC(C(=O)OCC)N L135831 [0,2,0,0,0,0|1,0,0]=3 765 B9R0.35 CCCC(C)C(=O)OCC E110162 [0,2,0,0,0,0|1,0,0]=3 766 B9R0.48 CCOC(=O)CCC(=O)C E117674 [0,2,0,0,0,0|1,0,0]=3 767 B9R0.48 CCOC(=O)CCC(=O)Cl E131894 [0,2,0,0,0,0|2,0,0]=4 768 B9R0.48 CCOC(=O)CCC(=O)O M102994 [0,2,0,0,0,0|2,0,0]=4 769 B9R0.48 CCOC(=O)CCC(C)C E169064 [0,2,0,0,0,0|1,0,0]=3 770 B9R0.48 CCOC(=O)CNC(=O)C A109217 [0,2,0,0,0,0|2,0,0]=4 771 B9R0.23 CC(=O)CC(=O)C(=O)OC M132958 [0,2,0,0,0,0|1,0,1]=4 772 B9R0.23 CC(C(=O)OC)NC(=O)C M157975 [0,2,0,0,0,0|2,0,0]=4 773 B9R0.23 CC(C)CC(C(=O)OC)N L109004 [0,2,0,0,0,0|1,0,0]=3 774 B9R0.23 CC(C)CC(C(=O)OC)N L113357 [0,2,0,0,0,0|1,0,0]=3 775 B9R0.23 COC(=O)C(CC(=O)O)N A116967 [0,2,0,0,0,0|2,0,0]=4 776 B9R0.23 COC(=O)C(CC(=O)O)N D351608 [0,2,0,0,0,0|2,0,0]=4 777 B9R0.23 COC(=O)C(CC(=O)O)N H185839 [0,2,0,0,0,0|2,0,0]=4 778 B9R0.27 CC(C(=O)OC)C(=O)OC D137292 [0,2,0,0,0,0|0,1,1]=4 779 B9R0.27 CCC(=O)C(C(=O)OC)F M404753 [0,2,0,0,0,0|1,0,1]=4 780 B9R0.27 CCC(C)C(C(=O)OC)N I109005 [0,2,0,0,0,0|1,0,0]=3 781 B9R0.27 CCC(C)C(C(=O)OC)N M169087 [0,2,0,0,0,0|1,0,0]=3 782 B9R0.27 COC(=O)C(C(=O)OC)Br D477098 [0,2,0,0,0,0|0,1,1]=4 783 B9R0.27 COC(=O)C(C(=O)OC)Cl D136538 [0,2,0,0,0,0|0,1,1]=4 784 B9R0.27 COC(=O)C(C(=O)OC)F D136261 [0,2,0,0,0,0|0,1,1]=4 785 B9R0.27 COC(=O)C(C(=O)OC)N D470413 [0,2,0,0,0,0|0,1,1]=4 786 B9R0.1 CC(=O)CCCC(=O)OC M299485 [0,2,0,0,0,0|1,0,0]=3 787 B9R0.1 CCC(=O)OCCC(C)C I101112 [0,2,0,0,0,0|2,0,0]=4 788 B9R0.1 COC(=O)CCCC(=O)Cl G104122 [0,2,0,0,0,0|1,0,1]=4 789 B9R0.1 COC(=O)CCCC(=O)O M102986 [0,2,0,0,0,0|1,0,1]=4 790 B9R0.1 COC(=O)CCC[N+](=O)[O-] N131960 [0,2,0,0,0,0|2,0,0]=4 791 B9R0.24 COC(=O)CCC(=O)CN M158394 [0,2,0,0,0,0|1,0,0]=3 792 B9R0.24 COC(=O)CCC(=O)CN M426001 [0,2,0,0,0,0|1,0,0]=3 793 B9R0.24 COC(=O)CCC(=O)OC D103952 [0,2,0,0,0,0|0,1,0]=3 794 B9R0.24 COC(=O)CCC(=O)OC D103953 [0,2,0,0,0,0|0,1,0]=3 795 B9R0.46 CCCCCCC(=O)CC N158994 [0,2,0,0,0,0|2,0,0]=4 796 B9R0.46 CCCCCCC(=O)OC M158054 [0,2,0,0,0,0|1,0,0]=3 797 B9R0.46 CCCCCCC(=O)OC M158149 [0,2,0,0,0,0|1,0,0]=3 798 B9R0.46 CCCCCOC(=O)CC P137733 [0,2,0,0,0,0|2,0,0]=4 799 B9R0.46 COC(=O)CCCCCN M138421 [0,2,0,0,0,0|1,0,0]=3 800 B9R0.47 CC(=C)C(=O)OCCOC E102359 [0,2,0,0,0,0|1,1,0]=4 801 B9R0.47 CC(=C)C(=O)OCCOC P109711 [0,2,0,0,0,0|1,1,0]=4 802 B9R0.47 CC(=C)C(=O)OCCOC P432527 [0,2,0,0,0,0|1,1,0]=4 803 B9R0.47 CC(=C)C(=O)OCCOC P432529 [0,2,0,0,0,0|1,1,0]=4 804 B9R0.47 CC(=C)C(=O)OCCOC P432531 [0,2,0,0,0,0|1,1,0]=4 805 B9R0.47 CC(=C)C(=O)OCCSC M468079 [0,2,0,0,0,0|1,0,0]=3 806 B9R0.47 CCCCCC(=O)C(=O)C O589566 [0,2,0,0,0,0|2,0,0]=4 807 B9R0.47 CCCCOC(=O)C(=C)C B110902 [0,2,0,0,0,0|2,0,0]=4 808 B9R0.47 CCCCOC(=O)C(=C)C B110903 [0,2,0,0,0,0|2,0,0]=4 809 B9R0.47 CCCCOC(=O)C(=C)C B110904 [0,2,0,0,0,0|2,0,0]=4 810 B9R0.47 CCCCOC(=O)C(C)C B152857 [0,2,0,0,0,0|2,0,0]=4 811 B9R0.47 CCCCOC(=O)C(C)O B111190 [0,2,0,0,0,0|2,0,0]=4 812 B9R0.47 CCCCOC(=O)C(C)O B303494 [0,2,0,0,0,0|2,0,0]=4 813 B9R0.42 CC(C)C(=O)CC(=O)OC M106811 [0,2,0,0,0,0|1,0,1]=4 814 B9R0.42 COC(=O)CC(C(=O)O)N A100440 [0,2,0,0,0,0|2,0,0]=4 815 B9R0.42 COC(=O)CC(C(=O)O)N L591069 [0,2,0,0,0,0|2,0,0]=4 816 B9R0.21 COC(=O)CCS(=O)(=O)Cl M181729 [0,2,0,0,0,0|1,0,1]=4 817 B9R0.26 CCN(CC)CC(=O)OC N159623 [0,2,0,0,0,0|2,0,0]=4 818 B9R0.26 COC(CC(=O)OC)OC M102770 [0,2,0,0,0,0|0,1,0]=3 819 B9R0.22 CC(C)(CC(=O)OC)C=C M133963 [0,2,0,0,0,0|1,0,1]=4 820 B7R1.1 COC1CCCC1 C102202 [1,0,0,1,0,0|1,0,1]=4 821 B7R1.1 COC1CCCC1 C119688 [1,0,0,1,0,0|1,0,1]=4 822 B7R1.1 COC1CCCC1 C298967 [1,0,0,1,0,0|1,0,1]=4 823 B7R1.2 C1C(=O)COC1=O T101326 [1,0,0,1,0,0|0,1,1]=4 824 B7R1.2 C1C(CNC1=O)N A587603 [1,0,0,1,0,0|2,0,0]=4 825 B7R1.2 C1C(CNC1=O)O H119311 [1,0,0,1,0,0|1,1,0]=4 826 B7R1.2 C1C(CNC1=O)O H119312 [1,0,0,1,0,0|1,1,0]=4 827 B7R1.2 C1C(CNC1=O)O H183207 [1,0,0,1,0,0|1,1,0]=4 828 B7R1.2 C1C(COC1=O)N R189910 [1,0,0,1,0,0|1,0,0]=3 829 B7R1.2 C1C(COC1=O)N S189909 [1,0,0,1,0,0|1,0,0]=3 830 B7R1.2 C1C(COC1=O)O H107941 [1,0,0,1,0,0|0,1,0]=3 831 B7R1.2 C1C(OC(=O)O1)Cl C154009 [1,0,0,1,0,0|2,0,0]=4 832 B7R1.2 C1C(OC(=O)O1)Cl C298772 [1,0,0,1,0,0|2,0,0]=4 833 B7R1.2 C1C(OC(=O)O1)F F120339 [1,0,0,1,0,0|2,0,0]=4 834 B7R1.2 CC1=CC(=O)OC1 M158202 [1,0,0,1,0,0|0,0,2]=4 835 B7R1.2 CC1CCC(=O)C1 M113659 [1,0,0,1,0,0|1,0,0]=3 836 B7R1.2 CC1CCC(=O)N1 M158429 [1,0,0,1,0,0|2,0,0]=4 837 B7R1.2 CC1CCC(=O)O1 V106294 [1,0,0,1,0,0|2,0,0]=4 838 B7R1.2 CC1COC(=O)O1 P105723 [1,0,0,1,0,0|1,0,0]=3 839 B7R1.2 CC1COC(=O)O1 P105724 [1,0,0,1,0,0|1,0,0]=3 840 B7R1.2 CC1COC(=O)O1 P105725 [1,0,0,1,0,0|1,0,0]=3 841 B7R1.2 CC1COC(=O)O1 P105726 [1,0,0,1,0,0|1,0,0]=3 842 B7R1.2 CC1COC(=O)O1 P122960 [1,0,0,1,0,0|1,0,0]=3 843 B7R1.2 CC1COC(=O)O1 S135940 [1,0,0,1,0,0|1,0,0]=3 844 B7R1.2 CC1COS(=O)O1 M120340 [1,0,0,1,0,0|2,0,0]=4 845 B7R1.2 CN1CCC(=O)C1 M343187 [1,0,0,1,0,0|2,0,0]=4 846 B7R1.3 C1CC(=O)CNC1 P301951 [1,0,0,1,0,0|2,0,0]=4 847 B7R1.3 C1CC(=O)COC1 O175840 [1,0,0,1,0,0|1,1,0]=4 848 B7R1.3 C1CCC(=O)CC1 C116449 [1,0,0,1,0,0|1,0,0]=3 849 B7R1.3 C1CCC(=O)CC1 C116451 [1,0,0,1,0,0|1,0,0]=3 850 B7R1.3 C1CCC(=O)CC1 C116453 [1,0,0,1,0,0|1,0,0]=3 851 B7R1.3 C1CCC(=O)CC1 C116454 [1,0,0,1,0,0|1,0,0]=3 852 B7R1.3 C1CCC(=O)CC1 C295202 [1,0,0,1,0,0|1,0,0]=3 853 B7R1.3 C1CCC(=O)CC1 C471914 [1,0,0,1,0,0|1,0,0]=3 854 B7R1.3 C1CCC(=O)CC1 C615386 [1,0,0,1,0,0|1,0,0]=3 855 B7R1.3 C1CCNC(=O)C1 P160613 [1,0,0,1,0,0|1,0,0]=3 856 B7R1.3 C1CCOC(=O)C1 V100560 [1,0,0,1,0,0|0,0,0]=2 857 B7R1.3 C1CNC(=O)CN1 P135012 [1,0,0,1,0,0|2,0,0]=4 858 B7R1.3 C1CNC(=O)NC1 T162348 [1,0,0,1,0,0|2,0,0]=4 859 B7R1.3 C1CNC(=O)OC1 O170792 [1,0,0,1,0,0|1,0,0]=3 860 B7R1.3 C1COC(=O)C=C1 D155403 [1,0,0,1,0,0|0,0,2]=4 861 B7R1.3 C1COC(=O)CO1 D122246 [1,0,0,1,0,0|0,1,0]=3 862 B7R1.3 C1COC(=O)OC1 D155394 [1,0,0,1,0,0|1,0,0]=3 863 B7R1.3 C1COCC(=O)N1 M157861 [1,0,0,1,0,0|1,1,0]=4 864 B7R1.3 C1COCCC1=O T107483 [1,0,0,1,0,0|1,1,0]=4 865 B7R1.3 C1COS(=O)OC1 D137600 [1,0,0,1,0,0|2,0,0]=4 866 B7R1.3 C1CSCCC1=O T121984 [1,0,0,1,0,0|1,0,0]=3 867 B7R1.3 C=C1CCCCC1 M158229 [1,0,0,1,0,0|2,0,0]=4 868 B7R1.3 CC1=CCCCC1 M158209 [1,0,0,1,0,0|2,0,0]=4 869 B7R1.3 C[Si]1CCCCO1 P107083 [1,0,0,1,0,0|1,1,0]=4 870 B7R1.4 C1CC(C(=O)C1)Cl C103555 [1,0,0,1,0,0|2,0,0]=4 871 B7R1.4 C1CC(C(=O)C1)Cl C598656 [1,0,0,1,0,0|2,0,0]=4 872 B7R1.4 CC1=CCCC1=O M165952 [1,0,0,1,0,0|1,0,1]=4 873 B7R1.4 CC1C(=O)CCO1 M102944 [1,0,0,1,0,0|1,1,0]=4 874 B7R1.4 CC1C(=O)CCS1 M102985 [1,0,0,1,0,0|1,0,0]=3 875 B7R1.4 CC1CCCC1=O M138029 [1,0,0,1,0,0|1,0,0]=3 876 B7R1.4 CC1CCOC1=O A151225 [1,0,0,1,0,0|2,0,0]=4 877 B7R1.4 CN1CCCC1=O M100588 [1,0,0,1,0,0|1,0,0]=3 878 B7R1.4 CN1CCCC1=O M100589 [1,0,0,1,0,0|1,0,0]=3 879 B7R1.4 CN1CCCC1=O M100590 [1,0,0,1,0,0|1,0,0]=3 880 B7R1.4 CN1CCCC1=O M103246 [1,0,0,1,0,0|1,0,0]=3 881 B7R1.4 CN1CCCC1=O M103247 [1,0,0,1,0,0|1,0,0]=3 882 B7R1.4 CN1CCCC1=O M103248 [1,0,0,1,0,0|1,0,0]=3 883 B7R1.4 CN1CCCC1=O M103250 [1,0,0,1,0,0|1,0,0]=3 884 B7R1.4 CN1CCCC1=O M119668 [1,0,0,1,0,0|1,0,0]=3 885 B7R1.4 CN1CCCC1=O M434296 [1,0,0,1,0,0|1,0,0]=3 886 B7R1.4 CN1CCCC1=S M140448 [1,0,0,1,0,0|1,1,0]=4 887 B7R1.4 CN1CCNC1=O M304416 [1,0,0,1,0,0|2,0,0]=4 888 B7R1.4 CN1CCOC1=O M132701 [1,0,0,1,0,0|2,0,0]=4 889 B7R1.22 C1CC1C(=O)CBr B186063 [1,0,0,1,0,0|2,0,0]=4 890 B7R1.22 C1CC1C(=O)NN C177206 [1,0,0,1,0,0|2,0,0]=4 891 B7R1.22 COC(=O)C1CC1 M108025 [1,0,0,1,0,0|0,0,0]=2 892 B7R1.22 COC(=O)C1CN1 M111108 [1,0,0,1,0,0|1,0,0]=3 893 B7R1.22 COC(=O)C1CO1 G303748 [1,0,0,1,0,0|0,1,0]=3 894 B7R1.22 COC(=O)C1CO1 M344543 [1,0,0,1,0,0|0,1,0]=3 895 B7R1.22 COC(=O)C1CO1 S179901 [1,0,0,1,0,0|0,1,0]=3 896 B7R1.12 C1C(C1F)C(=O)O F191156 [1,0,0,1,0,0|2,0,0]=4 897 B7R1.12 C1C(C1F)C(=O)O R586886 [1,0,0,1,0,0|2,0,0]=4 898 B7R1.12 C1C(C1F)C(=O)O R587591 [1,0,0,1,0,0|2,0,0]=4 899 B7R1.12 C1C(C1F)C(=O)O S587590 [1,0,0,1,0,0|2,0,0]=4 900 B7R1.12 CC1CC1C(=O)O M169350 [1,0,0,1,0,0|1,0,0]=3 901 B7R1.18 C1C(CN1)C(=O)O A103105 [1,0,0,1,0,0|1,0,0]=3 902 B7R1.18 C1C(CO1)C(=O)O O166062 [1,0,0,1,0,0|0,1,0]=3 903 B7R1.18 C1CC(C1)C(=O)Cl C170618 [1,0,0,1,0,0|2,0,0]=4 904 B7R1.18 C1CC(C1)C(=O)O C120879 [1,0,0,1,0,0|1,0,0]=3 905 B7R1.18 C1CNC1C(=O)O A124088 [1,0,0,1,0,0|2,0,0]=4 906 B7R1.18 C1CNC1C(=O)O A175896 [1,0,0,1,0,0|2,0,0]=4 907 B7R1.18 C1CNC1C(=O)O R177416 [1,0,0,1,0,0|2,0,0]=4 908 B7R1.18 CC(=O)C1CCC1 A151658 [1,0,0,1,0,0|1,0,0]=3 909 B7R1.20 C1CC1CC(=O)O C134997 [1,0,0,1,0,0|1,0,0]=3 910 B7R1.24 C1CCC=CCC1 C153473 [1,0,0,1,0,0|2,0,0]=4 911 B7R1.24 C1CCCOCC1 H157291 [1,0,0,1,0,0|1,0,1]=4 912 B7R1.24 C1CNCCOC1 O587706 [1,0,0,1,0,0|1,0,1]=4 913 B9R1.7 CCCC1CCC(=O)O1 H111340 [0,1,0,1,0,0|2,0,0]=4 914 B9R1.15 COC1CCCCC1=O M158813 [0,1,0,1,0,0|1,0,0]=3 915 B9R1.48 C1CCC(=O)OC(=O)C1 O588008 [0,1,0,1,0,0|1,0,1]=4 916 B9R1.49 CN1CCCC(=O)CC1 M587966 [0,1,0,1,0,0|2,0,0]=4 917 B9R1.50 C1CCCC(=O)CCC1 C106984 [0,1,0,1,0,0|2,0,0]=4 918 B9R1.50 C1CCCNC(=O)CC1 O159930 [0,1,0,1,0,0|2,0,0]=4 919 B9R1.69 CC1CCC(=O)CC1C D154364 [0,1,0,1,0,0|2,0,0]=4 920 B9R1.69 CC1CCC(C(=O)C1)C D154367 [0,1,0,1,0,0|2,0,0]=4 921 B9R1.69 CC1CN(CCC1=O)C D154313 [0,1,0,1,0,0|2,0,0]=4 922 B9R1.73 CCOC(=O)C1CCC1 E124243 [0,1,0,1,0,0|1,0,0]=3 923 B9R1.73 CCOC(=O)C1CNC1 E176414 [0,1,0,1,0,0|1,0,0]=3 924 B9R1.75 CCOC(=O)CC1CC1 E176712 [0,1,0,1,0,0|1,0,0]=3 925 B9R1.3 CC1CCCC(C1=O)C D154369 [0,1,0,1,0,0|2,0,0]=4 926 B9R1.5 C1CCC(C(=O)CC1)Cl C153943 [0,1,0,1,0,0|2,0,0]=4 927 B9R1.5 C1CCNC(=O)C(C1)N S135609 [0,1,0,1,0,0|2,0,0]=4 928 B9R1.5 C1CCNC(=O)C(C1)N S588137 [0,1,0,1,0,0|2,0,0]=4 929 B9R1.5 CN1CCCCCC1=O N159776 [0,1,0,1,0,0|2,0,0]=4 930 B9R1.11 COC(=O)C1=CCCC1 M135404 [0,1,0,1,0,0|1,0,1]=4 931 B9R1.11 COC(=O)C1=CCSC1 M157933 [0,1,0,1,0,0|0,0,1]=3 932 B9R1.11 COC(=O)C1CC=CC1 M135200 [0,1,0,1,0,0|1,0,0]=3 933 B9R1.11 COC(=O)C1CCCC1 M158004 [0,1,0,1,0,0|1,0,0]=3 934 B9R1.11 COC(=O)C1CCCN1 P107637 [0,1,0,1,0,0|1,0,0]=3 935 B9R1.11 COC(=O)C1CCCN1 P109007 [0,1,0,1,0,0|1,0,0]=3 936 B9R1.11 COC(=O)C1CCCO1 M158460 [0,1,0,1,0,0|1,0,0]=3 937 B9R1.11 COC(=O)C1CCNC1 M172004 [0,1,0,1,0,0|1,0,0]=3 938 B9R1.11 COC(=O)C1CCNC1 M177835 [0,1,0,1,0,0|1,0,0]=3 939 B9R1.11 COC(=O)C1CCOC1 M176720 [0,1,0,1,0,0|0,1,0]=3 940 B9R1.11 COC(=O)C1NCCS1 M169641 [0,1,0,1,0,0|2,0,0]=4 941 B9R1.82 COC(=O)C1CC(=O)C1 M589916 [0,1,0,1,0,0|1,0,0]=3 942 B9R1.82 COC(=O)C1CC(C1)O M176607 [0,1,0,1,0,0|1,0,0]=3 943 B9R1.82 COC(=O)C1CC(C1)O M176998 [0,1,0,1,0,0|1,0,0]=3 944 B9R1.82 COC(=O)C1CC(C1)O M176999 [0,1,0,1,0,0|1,0,0]=3 945 B9R1.186 COC(=O)C1(CCC1)N A182810 [0,1,0,1,0,0|1,0,0]=3 946 B9R1.1 CCC1CCC(=O)CC1 E115523 [0,1,0,1,0,0|2,0,0]=4 947 B9R1.1 CCN1CCC(=O)CC1 E156493 [0,1,0,1,0,0|2,0,0]=4 948 B9R1.1 COC1CCC(=O)CC1 M587028 [0,1,0,1,0,0|1,1,0]=4 949 B9R1.89 COC1=NCCCCC1 A169044 [0,1,0,1,0,0|2,0,0]=4 950 B9R1.35 CC(C)C1COC(=O)N1 I107588 [0,1,0,1,0,0|2,0,0]=4 951 B9R1.35 CC(C)C1COC(=O)N1 I107589 [0,1,0,1,0,0|2,0,0]=4 952 B9R1.40 CC1(CCCCC1=O)C D166342 [0,1,0,1,0,0|2,0,0]=4 953 B9R1.10 CC1(CCC(=O)CC1)C D120758 [0,1,0,1,0,0|2,0,0]=4 954 B9R2.39 C1CC2CC1CC2=O N158897 [0,0,0,2,0,0|2,0,0]=4