0 B8R0.28 CC(=CC=CC(=O)C)C M132660 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.28 CC(=CCCC(=O)C)C M117483 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.28 CC(=CCOC(=O)C)C P138080 [0,0,0,0,0,0|0,0,0]=0 3 B8R0.28 CC(=O)CCCC(=O)O O159987 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.28 CC(=O)NCCC(=O)O N133308 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.28 CC(=O)O[Ca]OC(C)=O C339676 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.28 CC(=O)O[Pb]OC(=O)C L100792 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.28 CC(=O)O[Pb]OC(=O)C L100794 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.28 CC(=O)O[Pb]OC(=O)C L193681 [0,0,0,0,0,0|3,0,0]=3 9 B8R0.28 CC(=O)SCCC(=O)O A136318 [0,0,0,0,0,0|2,1,1]=4 10 B8R0.28 CC(C)CCCC(=C)C D155274 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.28 CC(C)CCCC(=O)C M158865 [0,0,0,0,0,0|1,0,2]=3 12 B8R0.28 CC(C)CCCC(=O)O M158389 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.28 CC(C)CCOC(=O)C I112107 [0,0,0,0,0,0|0,0,2]=2 14 B8R0.28 CC(C)CCOC(=O)C I112108 [0,0,0,0,0,0|0,0,2]=2 15 B8R0.28 CC(C)CCOC(=O)C I112110 [0,0,0,0,0,0|0,0,2]=2 16 B8R0.28 CC(C)CCOC(=O)C T119705 [0,0,0,0,0,0|0,0,2]=2 17 B8R0.28 CC(C)CCO[N+](=O)[O-] I157464 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.28 CN(C)CCCC(=O)O D589906 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.28 CN(C)CCCC(=O)O W133561 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.4 CC(=O)OCCCCl C135233 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.4 CC(=O)OCCOC M106167 [1,0,0,0,0,0|1,0,1]=3 22 B7R0.4 CC(C)CCOC=O I117534 [1,0,0,0,0,0|0,0,2]=3 23 B7R0.4 CC(C)CCOC=O I137773 [1,0,0,0,0,0|0,0,2]=3 24 B7R0.4 CC(C)CCON=O I106092 [1,0,0,0,0,0|1,0,2]=4 25 B7R0.4 CC(C)CCON=O I106093 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.4 CC=CC=CC(=O)C H156931 [1,0,0,0,0,0|1,0,1]=3 27 B7R0.4 CC=CC=CC(=O)O H431430 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.4 CC=CC=CC(=O)O S101106 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.4 CC=CC=CC(=O)O S101108 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.4 CC=CC=CC(=O)O S101109 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.4 CC=CC=CC(=O)O S101111 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.4 CC=CC=CC(=O)O S420601 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.4 CC=CC=CC(=O)[O-] P103845 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.4 CC=CC=CC(=O)[O-] P103846 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.4 CC=CC=CC(=O)[O-] P103847 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.4 CC=CC=CC(=O)[O-] P422842 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.4 CC=CC=CC(=O)[O-] S161310 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.4 CCCCCC(=O)C H103803 [1,0,0,0,0,0|1,0,2]=4 39 B7R0.4 CCCCCC(=O)C H103827 [1,0,0,0,0,0|1,0,2]=4 40 B7R0.4 CCCCOC(=O)C B116224 [1,0,0,0,0,0|0,0,2]=3 41 B7R0.4 CCCCOC(=O)C B116225 [1,0,0,0,0,0|0,0,2]=3 42 B7R0.4 CCCCOC(=O)C B116227 [1,0,0,0,0,0|0,0,2]=3 43 B7R0.4 CCCCOC(=O)C B116228 [1,0,0,0,0,0|0,0,2]=3 44 B7R0.4 CCCCOC(=O)C B119685 [1,0,0,0,0,0|0,0,2]=3 45 B7R0.4 CCCCOC(=O)N B152422 [1,0,0,0,0,0|1,0,2]=4 46 B7R0.4 CCOCCC(=O)C E156453 [1,0,0,0,0,0|1,0,2]=4 47 B7R0.4 COCCOC(=O)Cl M158778 [1,0,0,0,0,0|2,0,1]=4 48 B9R0.1 CC(=CCC=C(C)C=C)C O117519 [0,1,0,0,0,0|2,0,0]=3 49 B9R0.1 CC(=CCCC(=C)C=C)C M101320 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.1 CC(=CCCC(=C)C=C)C M101322 [0,1,0,0,0,0|2,0,1]=4 51 B9R0.1 CC(=CCCC(=C)C=C)C M196396 [0,1,0,0,0,0|2,0,1]=4 52 B9R0.1 CC(=O)CCCC(=O)OC M299485 [0,1,0,0,0,0|2,0,1]=4 53 B9R0.1 CC(C)CCOC(=O)C=C I157701 [0,1,0,0,0,0|0,0,3]=4 54 B9R0.1 CC(CCC=C(C)C)C=O M102621 [0,1,0,0,0,0|1,0,1]=3 55 B9R0.1 CC(CCOC(=O)C)OC M118697 [0,1,0,0,0,0|0,0,2]=3 56 B9R0.1 CCC(=O)OCCC(C)C I101112 [0,1,0,0,0,0|0,0,2]=3 57 B9R0.1 CCC(C)OCCC(=O)C S161386 [0,1,0,0,0,0|2,0,1]=4 58 B9R0.1 CN(C)CCOC(=O)C=C D102735 [0,1,0,0,0,0|1,0,2]=4 59 B9R0.7 CC(=O)OCC(C(=O)O)N O159915 [0,1,0,0,0,0|2,0,1]=4 60 B9R0.7 CC(=O)OCC(C(=O)O)N O303851 [0,1,0,0,0,0|2,0,1]=4 61 B9R0.7 CN(C)C(=O)CCC(=O)O N491469 [0,1,0,0,0,0|3,0,0]=4 62 B9R0.53 CC(=CC(=O)C=C(C)C)C D184828 [0,1,0,0,0,0|2,0,1]=4 63 B9R0.53 CC(C)CC(C)CC(=O)C D301469 [0,1,0,0,0,0|1,0,2]=4 64 B9R0.53 CC(OC(=O)C)OC(=O)C E156139 [0,1,0,0,0,0|2,0,0]=3 65 B9R0.56 CC(=O)OCC[N+](C)(C)C A106023 [0,1,0,0,0,0|1,0,1]=3 66 B9R0.56 CC(=O)OCC[N+](C)(C)C A111014 [0,1,0,0,0,0|1,0,1]=3 67 B9R0.56 CC(=O)OCC[N+](C)(C)C A111015 [0,1,0,0,0,0|1,0,1]=3 68 B9R0.56 CC(=O)OCC[N+](C)(C)C A111033 [0,1,0,0,0,0|1,0,1]=3 69 B9R0.56 CC(=O)OCC[N+](C)(C)C A425009 [0,1,0,0,0,0|1,0,1]=3 70 B9R0.56 CC(=O)SCC[N+](C)(C)C A100869 [0,1,0,0,0,0|1,1,1]=4 71 B9R0.56 CC(=O)SCC[N+](C)(C)C A113536 [0,1,0,0,0,0|1,1,1]=4 72 B9R1.35 CC(C)C1COC(=O)N1 I107588 [0,0,0,1,0,0|1,0,2]=4 73 B9R1.35 CC(C)C1COC(=O)N1 I107589 [0,0,0,1,0,0|1,0,2]=4 74 B9R1.35 CC1=CC=C(O1)C(=O)C A113375 [0,0,0,1,0,0|2,0,1]=4 75 B9R1.35 CC1=CC=C(S1)C(=O)C A113376 [0,0,0,1,0,0|2,0,1]=4 76 B9R1.35 CC1=CSC(=C1)C(=O)C A167104 [0,0,0,1,0,0|2,0,1]=4 77 B9R1.35 CC1=CSC(=N1)C(=O)C A469639 [0,0,0,1,0,0|3,0,0]=4 78 B9R1.49 CN1CCCC(=O)CC1 M587966 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.66 CC1(CCCC(=O)C1)C D138628 [0,0,0,1,0,0|1,0,2]=4 80 B9R1.66 CC1(CCOC(=O)C1)O D304342 [0,0,0,1,0,0|1,0,2]=4 81 B7R0.6 CC(=C)CCC(=C)C D155280 [0,0,0,0,1,0|1,0,2]=4 82 B7R0.6 CC(=C)COC(=O)C M158238 [0,0,0,0,1,0|0,0,1]=2 83 B7R0.6 CC(=CC=C(C)C)C D103154 [0,0,0,0,1,0|1,0,1]=3 84 B7R0.6 CC(=NNC(=O)N)C A112969 [0,0,0,0,1,0|3,0,0]=4 85 B7R0.6 CC(=O)CCC(=O)C H106697 [0,0,0,0,1,0|1,0,1]=3 86 B7R0.6 CC(=O)CCC(=O)C H106698 [0,0,0,0,1,0|1,0,1]=3 87 B7R0.6 CC(=O)CCC(=O)C H106699 [0,0,0,0,1,0|1,0,1]=3 88 B7R0.6 CC(=O)CCC(=O)O L104281 [0,0,0,0,1,0|2,0,1]=4 89 B7R0.6 CC(=O)CCC(=O)O L278641 [0,0,0,0,1,0|2,0,1]=4 90 B7R0.6 CC(=O)CCC(=O)O L298748 [0,0,0,0,1,0|2,0,1]=4 91 B7R0.6 CC(=O)CCC(=O)O L421026 [0,0,0,0,1,0|2,0,1]=4 92 B7R0.6 CC(=O)COC(=O)C A151657 [0,0,0,0,1,0|1,0,0]=2 93 B7R0.6 CC(=O)NCC(=O)O A103973 [0,0,0,0,1,0|3,0,0]=4 94 B7R0.6 CC(=O)OCC(=O)Cl A100732 [0,0,0,0,1,0|2,0,0]=3 95 B7R0.6 CC(=O)OCC(=O)O A167143 [0,0,0,0,1,0|2,0,0]=3 96 B7R0.6 CC(=O)OCC(F)F D154397 [0,0,0,0,1,0|2,0,1]=4 97 B7R0.6 CC(=O)SCC(=O)O S131714 [0,0,0,0,1,0|2,1,0]=4 98 B7R0.6 CC(=S)NCC(=O)O N159832 [0,0,0,0,1,0|3,0,0]=4 99 B7R0.6 CC(C)C=CC(=O)C M170732 [0,0,0,0,1,0|0,0,2]=3 100 B7R0.6 CC(C)C=CC(=O)O M158379 [0,0,0,0,1,0|1,0,2]=4 101 B7R0.6 CC(C)CC=C(C)C D155272 [0,0,0,0,1,0|1,0,1]=3 102 B7R0.6 CC(C)CCC(=C)C D155278 [0,0,0,0,1,0|1,0,2]=4 103 B7R0.6 CC(C)CCC(=O)C M106666 [0,0,0,0,1,0|0,0,2]=3 104 B7R0.6 CC(C)CCC(=O)Cl M158759 [0,0,0,0,1,0|1,0,2]=4 105 B7R0.6 CC(C)CCC(=O)O M117869 [0,0,0,0,1,0|1,0,2]=4 106 B7R0.6 CC(C)COC(=O)C I110418 [0,0,0,0,1,0|0,0,1]=2 107 B7R0.6 CC(C)COC(=O)C I110419 [0,0,0,0,1,0|0,0,1]=2 108 B7R0.6 CC(C)COC(=O)Cl I105738 [0,0,0,0,1,0|1,0,1]=3 109 B7R0.6 CC(C)CO[N+](=O)[O-] I334869 [0,0,0,0,1,0|2,0,1]=4 110 B7R0.6 CC(C)NNC(=O)C N193444 [0,0,0,0,1,0|2,0,1]=4 111 B7R0.6 CN(C)CCC(=O)O D132248 [0,0,0,0,1,0|2,0,1]=4 112 B7R0.6 C[S+](C)CCC(=O)O C153876 [0,0,0,0,1,0|2,0,1]=4 113 B9R0.55 CC(=CCCC=C(C)[CH2-])[CH2-] D118513 [0,0,0,0,0,1|2,0,1]=4 114 B9R0.55 CC(=O)OCCOC(=O)C E156135 [0,0,0,0,0,1|1,0,1]=3 115 B9R0.55 CC(=O)OCCOC(=O)C E196368 [0,0,0,0,0,1|1,0,1]=3 116 B6R0.4 C=CCCC(=O)Cl P278805 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.4 C=CCCC(=O)O P160582 [2,0,0,0,0,0|2,0,0]=4 118 B6R0.4 C=CCNC(=O)N A151231 [2,0,0,0,0,0|2,0,0]=4 119 B6R0.4 C=CCOC(=O)N A467193 [2,0,0,0,0,0|1,0,0]=3 120 B6R0.4 CC(=CCCBr)C B470663 [2,0,0,0,0,0|1,0,1]=4 121 B6R0.4 CC(=O)C=COC M113467 [2,0,0,0,0,0|1,0,1]=4 122 B6R0.4 CC(=O)C=COC M434875 [2,0,0,0,0,0|1,0,1]=4 123 B6R0.4 CC(=O)CCC=C H113634 [2,0,0,0,0,0|1,0,0]=3 124 B6R0.4 CC(=O)CCSC M135087 [2,0,0,0,0,0|1,0,1]=4 125 B6R0.4 CC(=O)OCC#C P304196 [2,0,0,0,0,0|0,0,2]=4 126 B6R0.4 CC(=O)OCC=C A107305 [2,0,0,0,0,0|0,0,0]=2 127 B6R0.4 CC(=O)OCCBr B102635 [2,0,0,0,0,0|1,0,1]=4 128 B6R0.4 CC(=O)OCCCl A140396 [2,0,0,0,0,0|1,0,1]=4 129 B6R0.4 CC(=O)OCCN A588049 [2,0,0,0,0,0|1,0,1]=4 130 B6R0.4 CC(=O)OCCO H156959 [2,0,0,0,0,0|1,0,1]=4 131 B6R0.4 CC(C)CCC=O M586390 [2,0,0,0,0,0|0,0,2]=4 132 B6R0.4 CC(C)COC=C I109049 [2,0,0,0,0,0|0,0,2]=4 133 B6R0.4 CC(C)COC=C I109050 [2,0,0,0,0,0|0,0,2]=4 134 B6R0.4 CC(C)COC=O I141415 [2,0,0,0,0,0|0,0,1]=3 135 B6R0.4 CC(C)COC=O I432878 [2,0,0,0,0,0|0,0,1]=3 136 B6R0.4 CC(C)CON=O I157486 [2,0,0,0,0,0|1,0,1]=4 137 B6R0.4 CC=CCC(=O)O P165142 [2,0,0,0,0,0|1,0,0]=3 138 B6R0.4 CCCCC(=O)C H105743 [2,0,0,0,0,0|0,0,2]=4 139 B6R0.4 CCCCC(=O)C H105744 [2,0,0,0,0,0|0,0,2]=4 140 B6R0.4 CCCCC(=O)C H111491 [2,0,0,0,0,0|0,0,2]=4 141 B6R0.4 CCCCC(=O)C H141140 [2,0,0,0,0,0|0,0,2]=4 142 B6R0.4 CCCOC(=O)C P103882 [2,0,0,0,0,0|0,0,1]=3 143 B6R0.4 CCCOC(=O)C P103883 [2,0,0,0,0,0|0,0,1]=3 144 B6R0.4 CCCOC(=O)N P194271 [2,0,0,0,0,0|1,0,1]=4 145 B6R0.4 CCCSC(=O)C S161333 [2,0,0,0,0,0|0,1,1]=4 146 B6R0.4 CN(C)C=CC=O D139445 [2,0,0,0,0,0|1,0,1]=4 147 B6R0.6 CC=CC=CC=O H156882 [2,0,0,0,0,0|1,0,1]=4 148 B6R0.6 CCCCOC=O B109260 [2,0,0,0,0,0|0,0,2]=4 149 B6R0.6 CCCCOC=O B109261 [2,0,0,0,0,0|0,0,2]=4 150 B8R0.5 CC(COC)OC(=O)C P106790 [1,1,0,0,0,0|1,0,1]=4 151 B8R0.5 CC(COC)OC(=O)C P299435 [1,1,0,0,0,0|1,0,1]=4 152 B8R0.5 CCOC(=O)C=C(C)C E156154 [1,1,0,0,0,0|0,0,2]=4 153 B8R0.6 CC=CC=CC(=O)OC M158512 [1,1,0,0,0,0|1,0,1]=4 154 B8R0.6 CCCCOC(=O)CC B152863 [1,1,0,0,0,0|0,0,2]=4 155 B8R0.6 CCCCOC(=O)CCl B152888 [1,1,0,0,0,0|0,0,2]=4 156 B8R0.6 CCCCOC(=O)CO B134012 [1,1,0,0,0,0|0,0,2]=4 157 B8R0.6 CCCCOC(=O)CO B493056 [1,1,0,0,0,0|0,0,2]=4 158 B8R0.6 CCCCOC(=O)CS B152740 [1,1,0,0,0,0|0,0,2]=4 159 B8R0.7 CC(=O)OCCCC=C P160540 [1,1,0,0,0,0|0,0,2]=4 160 B8R0.7 CC(=O)OCCCCBr B136623 [1,1,0,0,0,0|0,0,2]=4 161 B8R0.7 CC(=O)OCCCCCl C133987 [1,1,0,0,0,0|0,0,2]=4 162 B8R0.7 CC(=O)OCCCCI I476998 [1,1,0,0,0,0|0,0,2]=4 163 B8R0.7 CC(=O)OCCCSC M157982 [1,1,0,0,0,0|0,0,2]=4 164 B8R0.7 CCCCCOC(=O)C A103450 [1,1,0,0,0,0|0,0,2]=4 165 B8R0.7 CCCCCOC(=O)C A103451 [1,1,0,0,0,0|0,0,2]=4 166 B8R0.7 CCCCCOC(=O)C A103452 [1,1,0,0,0,0|0,0,2]=4 167 B8R0.7 CCOCCOC(=O)C E105181 [1,1,0,0,0,0|0,0,2]=4 168 B8R0.7 CCOCCOC(=O)C E105183 [1,1,0,0,0,0|0,0,2]=4 169 B8R0.7 CCOCCOC(=O)C E105184 [1,1,0,0,0,0|0,0,2]=4 170 B8R0.9 CC(=O)CCC(=O)OC M157990 [1,1,0,0,0,0|2,0,0]=4 171 B8R0.9 CC(=O)CCC(=O)OC N196982 [1,1,0,0,0,0|2,0,0]=4 172 B8R0.9 CC(=O)NCC(=O)NC A342681 [1,1,0,0,0,0|2,0,0]=4 173 B8R0.9 CC(=O)OCC(=O)CCl A135505 [1,1,0,0,0,0|1,0,1]=4 174 B8R0.9 CCC(C)COC(=O)C M111920 [1,1,0,0,0,0|0,0,2]=4 175 B8R0.23 CC(=O)CC(=O)N(C)C N159276 [0,1,0,0,1,0|1,0,0]=3 176 B8R0.23 CC(C(=O)C)OC(=O)C A102527 [0,1,0,0,1,0|1,0,0]=3 177 B8R0.23 CC(C(=O)Cl)OC(=O)C A151625 [0,1,0,0,1,0|2,0,0]=4 178 B8R0.23 CC(C(=O)Cl)OC(=O)C R303922 [0,1,0,0,1,0|2,0,0]=4 179 B8R0.23 CC(C(=O)O)OC(=O)C A151194 [0,1,0,0,1,0|2,0,0]=4 180 B8R0.23 CC(C(=O)O)OC(=O)C R405630 [0,1,0,0,1,0|2,0,0]=4 181 B8R0.23 CC(C(=O)O)OC(=O)C S161041 [0,1,0,0,1,0|2,0,0]=4 182 B8R0.29 CC(=O)OC[Si](C)(C)C T162333 [0,1,0,0,1,0|0,1,0]=3 183 B8R0.29 CC(=O)ONC(C)(C)C O159950 [0,1,0,0,1,0|1,0,1]=4 184 B8R0.29 CC(C)COS(=O)(=O)C I305089 [0,1,0,0,1,0|1,0,1]=4 185 B10R0.96 CC(COC(=O)C)OC(=O)C D155571 [0,1,0,0,0,1|1,0,1]=4 186 B10R0.98 CC(=O)C(CCOC(=O)C)Cl A347912 [0,1,0,0,0,1|1,0,1]=4 187 B10R0.3 CC(=CCCC(=CC#N)C)C G105815 [0,2,0,0,0,0|2,0,0]=4 188 B10R0.3 CC(=CCCC(=CC=O)C)C C104134 [0,2,0,0,0,0|1,0,0]=3 189 B10R0.3 CC(=CCCC(=CC=O)C)C C424608 [0,2,0,0,0,0|1,0,0]=3 190 B10R0.3 CC(=CCCC(=CCCl)C)C G118377 [0,2,0,0,0,0|2,0,0]=4 191 B10R0.3 CC(=CCCC(=CCO)C)C G107515 [0,2,0,0,0,0|1,0,1]=4 192 B10R0.3 CC(=CCCC(=CCO)C)C G107517 [0,2,0,0,0,0|1,0,1]=4 193 B10R0.3 CC(=CCCC(=CCO)C)C G401338 [0,2,0,0,0,0|1,0,1]=4 194 B10R0.3 CC(=CCCC(=CCO)C)C G420497 [0,2,0,0,0,0|1,0,1]=4 195 B10R0.3 CC(=CCCC(=CCO)C)C N101447 [0,2,0,0,0,0|1,0,1]=4 196 B10R0.3 CC(CCC=C(C)C)CC=O C110150 [0,2,0,0,0,0|1,0,1]=4 197 B10R0.3 CC(CCC=C(C)C)CC=O C118628 [0,2,0,0,0,0|1,0,1]=4 198 B10R0.3 CC(CCC=C(C)C)CC=O C420495 [0,2,0,0,0,0|1,0,1]=4 199 B10R0.3 CC(CCC=C(C)C)CC=O C424959 [0,2,0,0,0,0|1,0,1]=4 200 B10R0.3 CC(CCC=C(C)C)CC=O C573626 [0,2,0,0,0,0|1,0,1]=4 201 B10R0.3 CC(CCC=C(C)C)CC=O S468432 [0,2,0,0,0,0|1,0,1]=4 202 B10R0.3 CCCC(=O)OCCC(C)C I108580 [0,2,0,0,0,0|0,0,2]=4 203 B10R0.3 CCCC(=O)OCCC(C)C I108581 [0,2,0,0,0,0|0,0,2]=4 204 B10R0.57 CC(=O)OCC(=C)C(=O)OC M588669 [0,2,0,0,0,0|1,0,0]=3 205 B10R0.59 CC(CCOC(=O)CS)OC M158005 [0,2,0,0,0,0|0,0,2]=4 206 B10R0.65 CC(=O)OCCC(C)(C)OC M157992 [0,2,0,0,0,0|0,0,2]=4 207 B10R0.31 CC(C[N+](C)(C)C)OC(=O)C A100823 [0,2,0,0,0,0|1,0,1]=4 208 B10R0.31 CC(C[N+](C)(C)C)OC(=O)C M425166 [0,2,0,0,0,0|1,0,1]=4 209 B10R0.31 CC(C[N+](C)(C)C)OC(=O)C O135659 [0,2,0,0,0,0|1,0,1]=4 210 B8R1.7 C1C=CCC1C(=O)O C153744 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.19 CC1(CCOC1=O)C A151224 [1,0,0,1,0,0|0,0,2]=4 212 B8R1.22 C1CCC(=O)OCC1 C109521 [1,0,0,1,0,0|0,0,2]=4 213 B8R1.22 C1CCC(=O)OCC1 C398060 [1,0,0,1,0,0|0,0,2]=4 214 B8R1.22 C1CCC(=O)OCC1 P299385 [1,0,0,1,0,0|0,0,2]=4 215 B8R1.22 C1CCC(=O)OCC1 P398622 [1,0,0,1,0,0|0,0,2]=4 216 B8R1.22 C1CCC(=O)OCC1 P478241 [1,0,0,1,0,0|0,0,2]=4 217 B8R1.22 C1CCC(=O)OCC1 P485972 [1,0,0,1,0,0|0,0,2]=4 218 B8R1.22 C1CCC(=O)OCC1 P579406 [1,0,0,1,0,0|0,0,2]=4 219 B8R1.3 C1C(=O)OCC(=O)O1 G156824 [0,0,0,1,1,0|2,0,0]=4 220 B8R1.3 C1CC(=O)CCC1=O C110959 [0,0,0,1,1,0|1,0,1]=4 221 B8R1.3 CC1=NNC(=O)CC1 D135167 [0,0,0,1,1,0|2,0,0]=4 222 B8R1.3 CC1CCC(=O)CC1 M106719 [0,0,0,1,1,0|0,0,2]=4 223 B8R1.3 CC1CCC(=O)CC1 M113653 [0,0,0,1,1,0|0,0,2]=4 224 B8R1.3 CN1CCC(=O)CC1 N138232 [0,0,0,1,1,0|1,0,1]=4 225 B8R1.51 CC1(CC(=O)C=C1)C D168778 [0,0,0,1,1,0|0,0,2]=4 226 B8R1.51 CC1(CC(=O)NC1)C D194493 [0,0,0,1,1,0|1,0,1]=4 227 B8R1.51 CC1(CCC(=O)C1)C D175598 [0,0,0,1,1,0|0,0,2]=4 228 B8R1.51 CC1(COC(=O)N1)C D135412 [0,0,0,1,1,0|1,0,1]=4 229 B8R1.51 CC1=NC(CO1)(C)C T141476 [0,0,0,1,1,0|1,0,1]=4 230 B10R1.54 CC(=O)OC1CC(C=C1)O R176918 [0,0,0,1,0,1|1,0,1]=4 231 B10R1.13 CC1=CCC(=C(C)C)CC1 T111094 [0,1,0,1,0,0|2,0,0]=4 232 B10R1.13 CC1=CCC(=C(C)C)CC1 T435004 [0,1,0,1,0,0|2,0,0]=4 233 B10R1.13 CC1=CCC(CC1)C(=C)C D106755 [0,1,0,1,0,0|2,0,0]=4 234 B10R1.13 CC1=CCC(CC1)C(=C)C D106756 [0,1,0,1,0,0|2,0,0]=4 235 B10R1.13 CC1=CCC(CC1)C(=C)C D304599 [0,1,0,1,0,0|2,0,0]=4 236 B10R1.13 CC1=CCC(CC1)C(=C)C L106923 [0,1,0,1,0,0|2,0,0]=4 237 B10R1.13 CC1=CCC(CC1)C(=C)C L128108 [0,1,0,1,0,0|2,0,0]=4 238 B10R1.13 CC1=CCC(CC1)C(=C)C L157739 [0,1,0,1,0,0|2,0,0]=4 239 B10R1.13 CC1=CCC(CC1)C(=C)C L424983 [0,1,0,1,0,0|2,0,0]=4 240 B10R1.13 CC1=CCC(CC1)C(=C)C R433044 [0,1,0,1,0,0|2,0,0]=4 241 B10R1.13 CC1=CCC(CC1)C(=C)C R463296 [0,1,0,1,0,0|2,0,0]=4 242 B6R0.2 CC(=C)OC(=O)C I108612 [0,0,0,0,2,0|0,0,1]=3 243 B6R0.2 CC(=CC(=O)C)C M105926 [0,0,0,0,2,0|0,0,0]=2 244 B6R0.2 CC(=CC(=O)C)C M105927 [0,0,0,0,2,0|0,0,0]=2 245 B6R0.2 CC(=CC(=O)C)C M105928 [0,0,0,0,2,0|0,0,0]=2 246 B6R0.2 CC(=CC(=O)C)N F156686 [0,0,0,0,2,0|1,0,0]=3 247 B6R0.2 CC(=CC(=O)C)O A118525 [0,0,0,0,2,0|1,0,0]=3 248 B6R0.2 CC(=CC(=O)C)O A118538 [0,0,0,0,2,0|1,0,0]=3 249 B6R0.2 CC(=CC(=O)C)O A579873 [0,0,0,0,2,0|1,0,0]=3 250 B6R0.2 CC(=CC(=O)C)O B152272 [0,0,0,0,2,0|1,0,0]=3 251 B6R0.2 CC(=CC(=O)C)O C109323 [0,0,0,0,2,0|1,0,0]=3 252 B6R0.2 CC(=CC(=O)C)O C140817 [0,0,0,0,2,0|1,0,0]=3 253 B6R0.2 CC(=CC(=O)C)O C283471 [0,0,0,0,2,0|1,0,0]=3 254 B6R0.2 CC(=CC(=O)C)O C486854 [0,0,0,0,2,0|1,0,0]=3 255 B6R0.2 CC(=CC(=O)C)O D302912 [0,0,0,0,2,0|1,0,0]=3 256 B6R0.2 CC(=CC(=O)C)O E302901 [0,0,0,0,2,0|1,0,0]=3 257 B6R0.2 CC(=CC(=O)C)O E347622 [0,0,0,0,2,0|1,0,0]=3 258 B6R0.2 CC(=CC(=O)C)O G304265 [0,0,0,0,2,0|1,0,0]=3 259 B6R0.2 CC(=CC(=O)C)O H107857 [0,0,0,0,2,0|1,0,0]=3 260 B6R0.2 CC(=CC(=O)C)O I138305 [0,0,0,0,2,0|1,0,0]=3 261 B6R0.2 CC(=CC(=O)C)O I294571 [0,0,0,0,2,0|1,0,0]=3 262 B6R0.2 CC(=CC(=O)C)O M106182 [0,0,0,0,2,0|1,0,0]=3 263 B6R0.2 CC(=CC(=O)C)O P101065 [0,0,0,0,2,0|1,0,0]=3 264 B6R0.2 CC(=CC(=O)C)O P119025 [0,0,0,0,2,0|1,0,0]=3 265 B6R0.2 CC(=CC(=O)C)O P119026 [0,0,0,0,2,0|1,0,0]=3 266 B6R0.2 CC(=CC(=O)C)O P293928 [0,0,0,0,2,0|1,0,0]=3 267 B6R0.2 CC(=CC(=O)C)O R118502 [0,0,0,0,2,0|1,0,0]=3 268 B6R0.2 CC(=CC(=O)C)O R118539 [0,0,0,0,2,0|1,0,0]=3 269 B6R0.2 CC(=CC(=O)C)O R118540 [0,0,0,0,2,0|1,0,0]=3 270 B6R0.2 CC(=CC(=O)C)O R294372 [0,0,0,0,2,0|1,0,0]=3 271 B6R0.2 CC(=CC(=O)C)O R639975 [0,0,0,0,2,0|1,0,0]=3 272 B6R0.2 CC(=CC(=O)C)O S298504 [0,0,0,0,2,0|1,0,0]=3 273 B6R0.2 CC(=CC(=O)C)O T283063 [0,0,0,0,2,0|1,0,0]=3 274 B6R0.2 CC(=CC(=O)C)O T302818 [0,0,0,0,2,0|1,0,0]=3 275 B6R0.2 CC(=CC(=O)C)O T302908 [0,0,0,0,2,0|1,0,0]=3 276 B6R0.2 CC(=CC(=O)C)O V109324 [0,0,0,0,2,0|1,0,0]=3 277 B6R0.2 CC(=CC(=O)C)O V109325 [0,0,0,0,2,0|1,0,0]=3 278 B6R0.2 CC(=CC(=O)C)O Y191992 [0,0,0,0,2,0|1,0,0]=3 279 B6R0.2 CC(=CC(=O)C)O Y283039 [0,0,0,0,2,0|1,0,0]=3 280 B6R0.2 CC(=CC(=O)C)[O-] B107855 [0,0,0,0,2,0|1,0,0]=3 281 B6R0.2 CC(=CC(=O)C)[O-] B109340 [0,0,0,0,2,0|1,0,0]=3 282 B6R0.2 CC(=CC(=O)C)[O-] B152965 [0,0,0,0,2,0|1,0,0]=3 283 B6R0.2 CC(=CC(=O)C)[O-] B283467 [0,0,0,0,2,0|1,0,0]=3 284 B6R0.2 CC(=CC(=O)C)[O-] C100527 [0,0,0,0,2,0|1,0,0]=3 285 B6R0.2 CC(=CC(=O)C)[O-] C432320 [0,0,0,0,2,0|1,0,0]=3 286 B6R0.2 CC(=CC(=O)C)[O-] H302906 [0,0,0,0,2,0|1,0,0]=3 287 B6R0.2 CC(=CC(=O)C)[O-] I106157 [0,0,0,0,2,0|1,0,0]=3 288 B6R0.2 CC(=CC(=O)C)[O-] L102502 [0,0,0,0,2,0|1,0,0]=3 289 B6R0.2 CC(=CC(=O)C)[O-] M107860 [0,0,0,0,2,0|1,0,0]=3 290 B6R0.2 CC(=CC(=O)C)[O-] N105676 [0,0,0,0,2,0|1,0,0]=3 291 B6R0.2 CC(=CC(=O)C)[O-] N107859 [0,0,0,0,2,0|1,0,0]=3 292 B6R0.2 CC(=CC(=O)C)[O-] N359157 [0,0,0,0,2,0|1,0,0]=3 293 B6R0.2 CC(=CC(=O)C)[O-] S488282 [0,0,0,0,2,0|1,0,0]=3 294 B6R0.2 CC(=CC(=O)C)[O-] T161967 [0,0,0,0,2,0|1,0,0]=3 295 B6R0.2 CC(=CC(=O)C)[O-] Z106186 [0,0,0,0,2,0|1,0,0]=3 296 B6R0.2 CC(=CC(=O)C)[O-] Z107220 [0,0,0,0,2,0|1,0,0]=3 297 B6R0.2 CC(=CC(=O)C)[O-] Z431381 [0,0,0,0,2,0|1,0,0]=3 298 B6R0.2 CC(=CC(=O)C)[O-] Z573179 [0,0,0,0,2,0|1,0,0]=3 299 B6R0.2 CC(=CC(=O)Cl)C D135082 [0,0,0,0,2,0|1,0,0]=3 300 B6R0.2 CC(=CC(=O)O)C D102028 [0,0,0,0,2,0|1,0,0]=3 301 B6R0.2 CC(=O)CC(=O)C A110366 [0,0,0,0,2,0|1,0,0]=3 302 B6R0.2 CC(=O)CC(=O)C A110367 [0,0,0,0,2,0|1,0,0]=3 303 B6R0.2 CC(=O)CC(=O)C A110370 [0,0,0,0,2,0|1,0,0]=3 304 B6R0.2 CC(=O)CC(=O)N A194123 [0,0,0,0,2,0|2,0,0]=4 305 B6R0.2 CC(=O)CC(=O)[O-] L102932 [0,0,0,0,2,0|2,0,0]=4 306 B6R0.2 CC(=O)CC(=O)[O-] L490061 [0,0,0,0,2,0|2,0,0]=4 307 B6R0.2 CC(=O)CN(C)C D167514 [0,0,0,0,2,0|1,0,0]=3 308 B6R0.2 CC(=O)OC(=O)C A302240 [0,0,0,0,2,0|1,0,0]=3 309 B6R0.2 CC(=O)OC(=O)C A474130 [0,0,0,0,2,0|1,0,0]=3 310 B6R0.2 CC(=O)SC(=O)C A151355 [0,0,0,0,2,0|1,1,0]=4 311 B6R0.2 CC(=O)[CH-]C(=O)C T190897 [0,0,0,0,2,0|1,0,1]=4 312 B6R0.2 CC(=O)[CH-]C(=O)C Z302876 [0,0,0,0,2,0|1,0,1]=4 313 B6R0.2 CC(=[OH+])CC(=[OH+])C L492409 [0,0,0,0,2,0|1,0,1]=4 314 B6R0.2 CC(C)C=C(C)C D155423 [0,0,0,0,2,0|1,0,1]=4 315 B6R0.2 CC(C)CC(=O)C M108736 [0,0,0,0,2,0|0,0,1]=3 316 B6R0.2 CC(C)CC(=O)C M108737 [0,0,0,0,2,0|0,0,1]=3 317 B6R0.2 CC(C)CC(=O)C M108738 [0,0,0,0,2,0|0,0,1]=3 318 B6R0.2 CC(C)CC(=O)C M108740 [0,0,0,0,2,0|0,0,1]=3 319 B6R0.2 CC(C)CC(=O)C M108741 [0,0,0,0,2,0|0,0,1]=3 320 B6R0.2 CC(C)CC(=O)C M492092 [0,0,0,0,2,0|0,0,1]=3 321 B6R0.2 CC(C)CC(=O)Cl I157679 [0,0,0,0,2,0|1,0,1]=4 322 B6R0.2 CC(C)CC(=O)O I108280 [0,0,0,0,2,0|1,0,1]=4 323 B6R0.2 CC(C)CC(=O)O I108281 [0,0,0,0,2,0|1,0,1]=4 324 B6R0.2 CC(C)CC(=O)O I424338 [0,0,0,0,2,0|1,0,1]=4 325 B6R0.2 CC(C)CC(=O)O I432771 [0,0,0,0,2,0|1,0,1]=4 326 B6R0.2 CC(C)NC(=O)C N586389 [0,0,0,0,2,0|1,0,1]=4 327 B6R0.2 CC(C)OC(=O)C I103453 [0,0,0,0,2,0|0,0,1]=3 328 B6R0.2 CC(C)OC(=O)C I103454 [0,0,0,0,2,0|0,0,1]=3 329 B6R0.2 CC(C)OC(=O)C I103455 [0,0,0,0,2,0|0,0,1]=3 330 B6R0.2 CC(C)OC(=O)N I157610 [0,0,0,0,2,0|1,0,1]=4 331 B6R0.2 CC(OC(=O)C)Br B303662 [0,0,0,0,2,0|1,0,1]=4 332 B6R0.2 CN(C)CC(=O)O D115675 [0,0,0,0,2,0|2,0,0]=4 333 B6R0.2 CN(C)CC(=O)O N159831 [0,0,0,0,2,0|2,0,0]=4 334 B6R0.2 CN(C)CC(=O)O N420632 [0,0,0,0,2,0|2,0,0]=4