0 B9R0.56 CC(=O)OCC[N+](C)(C)C A106023 [0,0,0,0,0,0|0,0,0]=0 1 B9R0.56 CC(=O)OCC[N+](C)(C)C A111014 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.56 CC(=O)OCC[N+](C)(C)C A111015 [0,0,0,0,0,0|0,0,0]=0 3 B9R0.56 CC(=O)OCC[N+](C)(C)C A111033 [0,0,0,0,0,0|0,0,0]=0 4 B9R0.56 CC(=O)OCC[N+](C)(C)C A425009 [0,0,0,0,0,0|0,0,0]=0 5 B9R0.56 CC(=O)SCC[N+](C)(C)C A100869 [0,0,0,0,0,0|0,1,0]=1 6 B9R0.56 CC(=O)SCC[N+](C)(C)C A113536 [0,0,0,0,0,0|0,1,0]=1 7 B9R0.56 C[N+](C)(C)CCCC(=O)O B133529 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] M129859 [0,0,0,0,0,0|3,0,0]=3 9 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] M189201 [0,0,0,0,0,0|3,0,0]=3 10 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] M426428 [0,0,0,0,0,0|3,0,0]=3 11 B8R0.21 C[Si](C)(C)CCOCCl T106619 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.28 CC(=CCCC(=O)C)C M117483 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.28 CC(=CCOC(=O)C)C P138080 [1,0,0,0,0,0|1,0,1]=3 14 B8R0.28 CC(C)CCCC(=C)C D155274 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.28 CC(C)CCCC(=O)C M158865 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.28 CC(C)CCCC(=O)O M158389 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.28 CC(C)CCOC(=O)C I112107 [1,0,0,0,0,0|1,0,0]=2 18 B8R0.28 CC(C)CCOC(=O)C I112108 [1,0,0,0,0,0|1,0,0]=2 19 B8R0.28 CC(C)CCOC(=O)C I112110 [1,0,0,0,0,0|1,0,0]=2 20 B8R0.28 CC(C)CCOC(=O)C T119705 [1,0,0,0,0,0|1,0,0]=2 21 B8R0.28 CC(C)CCO[N+](=O)[O-] I157464 [1,0,0,0,0,0|3,0,0]=4 22 B8R0.28 CN(C)CCCC(=O)O D589906 [1,0,0,0,0,0|2,0,1]=4 23 B8R0.28 CN(C)CCCC(=O)O W133561 [1,0,0,0,0,0|2,0,1]=4 24 B10R0.31 CC(CC(=O)Cl)CC(C)(C)C T161607 [0,1,0,0,0,0|3,0,0]=4 25 B10R0.31 CC(CC(=O)O)CC(C)(C)C T106595 [0,1,0,0,0,0|3,0,0]=4 26 B10R0.31 CC(C[N+](C)(C)C)OC(=O)C A100823 [0,1,0,0,0,0|0,0,0]=1 27 B10R0.31 CC(C[N+](C)(C)C)OC(=O)C M425166 [0,1,0,0,0,0|0,0,0]=1 28 B10R0.31 CC(C[N+](C)(C)C)OC(=O)C O135659 [0,1,0,0,0,0|0,0,0]=1 29 B10R0.31 CC(C[N+](C)(C)C)OC(=O)N B153105 [0,1,0,0,0,0|1,0,0]=2 30 B10R0.31 CC(C[N+](C)(C)C)OC(N)=O B408677 [0,1,0,0,0,0|1,0,0]=2 31 B10R0.31 C[N+](C)(C)CC(CC(=O)O)O C119762 [0,1,0,0,0,0|2,0,0]=3 32 B10R0.31 C[N+](C)(C)CC(CC(=O)O)O C119784 [0,1,0,0,0,0|2,0,0]=3 33 B10R0.31 C[N+](C)(C)CC(CC(=O)O)O L425345 [0,1,0,0,0,0|2,0,0]=3 34 B10R0.31 C[N+](C)(C)CC(CC(=O)[O-])O C104549 [0,1,0,0,0,0|2,0,0]=3 35 B10R0.31 C[N+](C)(C)CC(CC(=O)[O-])O C105423 [0,1,0,0,0,0|2,0,0]=3 36 B10R0.31 C[N+](C)(C)CC(CC(=O)[O-])O C105424 [0,1,0,0,0,0|2,0,0]=3 37 B10R0.31 C[N+](C)(C)CC(CC(=O)[O-])O D413371 [0,1,0,0,0,0|2,0,0]=3 38 B10R0.31 C[N+](C)(C)CC(O)CC(O)=O D408460 [0,1,0,0,0,0|2,0,0]=3 39 B10R0.31 C[N+](C)(C)CC(O)CC([O-])=O L408110 [0,1,0,0,0,0|2,0,0]=3 40 B10R0.60 CCC(=O)SCC[N+](C)(C)C P348764 [0,1,0,0,0,0|0,1,0]=2 41 B10R0.60 C[N+](C)(C)CCOC(=O)C=C A303741 [0,1,0,0,0,0|0,0,1]=2 42 B10R0.65 CC(=O)OCCC(C)(C)OC M157992 [0,1,0,0,0,0|1,0,0]=2 43 B10R0.113 C[N+](C)(C)CCOP(=O)(O)O P302169 [0,1,0,0,0,0|2,0,0]=3 44 B10R0.113 C[N+](C)(C)CCOP(=O)([O-])[O-] C101915 [0,1,0,0,0,0|2,0,0]=3 45 B10R0.113 C[N+](C)(C)CCOP(=O)([O-])[O-] C303796 [0,1,0,0,0,0|2,0,0]=3 46 B10R0.113 C[N+](C)(C)CCOP(=O)([O-])[O-] P305142 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.55 CC(C)(C)C1COC(=O)N1 R474226 [0,0,0,1,0,0|2,0,0]=3 48 B8R0.29 CC(=O)C#C[Si](C)(C)C T115787 [0,0,0,0,1,0|1,0,2]=4 49 B8R0.29 CC(=O)OC[Si](C)(C)C T162333 [0,0,0,0,1,0|1,0,0]=2 50 B8R0.29 CC(=O)ONC(C)(C)C O159950 [0,0,0,0,1,0|2,0,0]=3 51 B8R0.29 CC(C)(C)NCC(=O)O N194621 [0,0,0,0,1,0|3,0,0]=4 52 B8R0.29 CC(C)CCC(C)(C)C T161706 [0,0,0,0,1,0|2,0,1]=4 53 B8R0.29 C[Si](C)(C)CCC(=O)[O-] T303180 [0,0,0,0,1,0|2,0,0]=3 54 B7R0.4 CC(=O)OCCCCl C135233 [2,0,0,0,0,0|2,0,0]=4 55 B7R0.4 CC(=O)OCCOC M106167 [2,0,0,0,0,0|1,0,0]=3 56 B7R0.4 CC(C)CCOC=O I117534 [2,0,0,0,0,0|1,0,0]=3 57 B7R0.4 CC(C)CCOC=O I137773 [2,0,0,0,0,0|1,0,0]=3 58 B7R0.4 CC(C)CCON=O I106092 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.4 CC(C)CCON=O I106093 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.4 CCCCCC(=O)C H103803 [2,0,0,0,0,0|2,0,0]=4 61 B7R0.4 CCCCCC(=O)C H103827 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.4 CCCCOC(=O)C B116224 [2,0,0,0,0,0|1,0,0]=3 63 B7R0.4 CCCCOC(=O)C B116225 [2,0,0,0,0,0|1,0,0]=3 64 B7R0.4 CCCCOC(=O)C B116227 [2,0,0,0,0,0|1,0,0]=3 65 B7R0.4 CCCCOC(=O)C B116228 [2,0,0,0,0,0|1,0,0]=3 66 B7R0.4 CCCCOC(=O)C B119685 [2,0,0,0,0,0|1,0,0]=3 67 B7R0.4 CCCCOC(=O)N B152422 [2,0,0,0,0,0|2,0,0]=4 68 B7R0.4 COCCOC(=O)Cl M158778 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.8 CCCCC(C)(C)C D106282 [2,0,0,0,0,0|1,0,1]=4 70 B7R0.8 CCCC[N+](C)(C)C B303274 [2,0,0,0,0,0|0,0,1]=3 71 B7R0.8 C[N+](C)(C)CCCBr B110907 [2,0,0,0,0,0|1,0,1]=4 72 B7R0.8 C[Si](C)(C)CCC=C B405460 [2,0,0,0,0,0|1,0,1]=4 73 B7R0.8 C[Si](C)(C)CCON O159958 [2,0,0,0,0,0|2,0,0]=4 74 B9R0.38 CC(C)(C)CCCCC=O G110311 [1,1,0,0,0,0|2,0,0]=4 75 B9R0.38 CCCCCC[N+](C)(C)C H157080 [1,1,0,0,0,0|1,0,1]=4 76 B9R0.44 CC(CC=O)CC(C)(C)C T113592 [1,1,0,0,0,0|2,0,0]=4 77 B9R0.1 CC(C)CCOC(=O)C=C I157701 [1,1,0,0,0,0|1,0,1]=4 78 B9R0.1 CC(CCOC(=O)C)OC M118697 [1,1,0,0,0,0|1,0,0]=3 79 B9R0.1 CCC(=O)OCCC(C)C I101112 [1,1,0,0,0,0|1,0,0]=3 80 B9R0.1 CN(C)CCOC(=O)C=C D102735 [1,1,0,0,0,0|0,0,2]=4 81 B9R0.53 CC(C)CC(C)CC(=O)C D301469 [1,1,0,0,0,0|2,0,0]=4 82 B9R0.10 CC(=O)CC(=O)C(C)(C)C D139227 [0,1,0,0,1,0|1,0,1]=4 83 B9R0.10 CC(C)(C)C(CC(=O)O)N B301216 [0,1,0,0,1,0|2,0,0]=4 84 B9R0.57 CC(C)(C)CC(C(=O)O)N H187615 [0,1,0,0,1,0|2,0,0]=4 85 B9R0.57 CC(C)(C)CC(C(=O)O)N S136939 [0,1,0,0,1,0|2,0,0]=4 86 B11R0.114 C[N+](C)(C)CCCNC(=O)C=C A303742 [0,1,0,0,0,1|1,0,1]=4 87 B11R0.318 CC(=C)C(=O)OCC[N+](C)(C)C M102201 [0,1,0,0,0,1|1,0,0]=3 88 B11R0.318 CC(=C)C(=O)OCC[N+](C)(C)C M404762 [0,1,0,0,0,1|1,0,0]=3 89 B11R0.180 CCCC(=O)SCC[N+](C)(C)C B100871 [0,2,0,0,0,0|0,1,0]=3 90 B9R1.66 CC1(CCCC(=O)C1)C D138628 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.66 CC1(CCOC(=O)C1)O D304342 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.35 CC(C)C1COC(=O)N1 I107588 [1,0,0,1,0,0|2,0,0]=4 93 B9R1.35 CC(C)C1COC(=O)N1 I107589 [1,0,0,1,0,0|2,0,0]=4 94 B9R1.49 CN1CCCC(=O)CC1 M587966 [1,0,0,1,0,0|1,0,1]=4 95 B9R1.10 CC1(CCC(=O)CC1)C D120758 [0,0,0,1,1,0|1,0,0]=3 96 B11R1.19 CC(C)(C)C1CCC(=O)CC1 T124578 [0,1,0,1,0,0|2,0,0]=4 97 B7R0.6 CC(=C)COC(=O)C M158238 [1,0,0,0,1,0|1,0,1]=4 98 B7R0.6 CC(=O)CCC(=O)C H106697 [1,0,0,0,1,0|2,0,0]=4 99 B7R0.6 CC(=O)CCC(=O)C H106698 [1,0,0,0,1,0|2,0,0]=4 100 B7R0.6 CC(=O)CCC(=O)C H106699 [1,0,0,0,1,0|2,0,0]=4 101 B7R0.6 CC(=O)COC(=O)C A151657 [1,0,0,0,1,0|2,0,0]=4 102 B7R0.6 CC(C)CCC(=C)C D155278 [1,0,0,0,1,0|2,0,0]=4 103 B7R0.6 CC(C)CCC(=O)C M106666 [1,0,0,0,1,0|1,0,0]=3 104 B7R0.6 CC(C)CCC(=O)Cl M158759 [1,0,0,0,1,0|2,0,0]=4 105 B7R0.6 CC(C)CCC(=O)O M117869 [1,0,0,0,1,0|2,0,0]=4 106 B7R0.6 CC(C)COC(=O)C I110418 [1,0,0,0,1,0|1,0,0]=3 107 B7R0.6 CC(C)COC(=O)C I110419 [1,0,0,0,1,0|1,0,0]=3 108 B7R0.6 CC(C)COC(=O)Cl I105738 [1,0,0,0,1,0|2,0,0]=4 109 B7R0.6 CN(C)CCC(=O)O D132248 [1,0,0,0,1,0|1,0,1]=4 110 B7R0.6 C[S+](C)CCC(=O)O C153876 [1,0,0,0,1,0|2,0,0]=4 111 B7R0.9 CC(=C)CC(C)(C)C D106367 [0,0,0,0,2,0|2,0,0]=4 112 B7R0.9 CC(=C)CC(C)(C)C D106368 [0,0,0,0,2,0|2,0,0]=4 113 B7R0.9 CC(=C)C[Si](C)(C)C T300066 [0,0,0,0,2,0|2,0,0]=4 114 B7R0.9 CC(=C)O[Si](C)(C)C I157569 [0,0,0,0,2,0|2,0,0]=4 115 B7R0.9 CC(=O)CC(C)(C)C D171111 [0,0,0,0,2,0|1,0,0]=3 116 B7R0.9 CC(=O)CC(C)(C)N D466889 [0,0,0,0,2,0|2,0,0]=4 117 B7R0.9 CC(=O)CC(C)(C)O D103435 [0,0,0,0,2,0|2,0,0]=4 118 B7R0.9 CC(=O)CC(C)(C)O D103436 [0,0,0,0,2,0|2,0,0]=4 119 B7R0.9 CC(=O)CC(C)(C)O D103437 [0,0,0,0,2,0|2,0,0]=4 120 B7R0.9 CC(=O)CC(C)(C)O D409502 [0,0,0,0,2,0|2,0,0]=4 121 B7R0.9 CC(=O)CC(C)(C)S M102896 [0,0,0,0,2,0|2,0,0]=4 122 B7R0.9 CC(=O)N[Si](C)(C)C T113605 [0,0,0,0,2,0|2,0,0]=4 123 B7R0.9 CC(=O)OC(C)(C)C B110958 [0,0,0,0,2,0|1,0,0]=3 124 B7R0.9 CC(=O)O[Si](C)(C)C T114036 [0,0,0,0,2,0|1,0,0]=3 125 B7R0.9 CC(C)(C)CC(=O)Cl D115363 [0,0,0,0,2,0|2,0,0]=4 126 B7R0.9 CC(C)(C)CC(=O)O D128107 [0,0,0,0,2,0|2,0,0]=4 127 B7R0.9 CC(C)(C)OC(=O)N B107136 [0,0,0,0,2,0|2,0,0]=4 128 B7R0.9 CC(C[N+](C)(C)C)O B152036 [0,0,0,0,2,0|0,0,2]=4 129 B7R0.9 CC(C[N+](C)(C)C)O B152039 [0,0,0,0,2,0|0,0,2]=4 130 B7R0.9 CC(C[N+](C)(C)C)O B351319 [0,0,0,0,2,0|0,0,2]=4 131 B7R0.9 C[N+](C)(C)CC(=O)O B106221 [0,0,0,0,2,0|1,0,0]=3 132 B7R0.9 C[N+](C)(C)CC(=O)O B113358 [0,0,0,0,2,0|1,0,0]=3 133 B7R0.9 C[N+](C)(C)CC(=O)[O-] B105554 [0,0,0,0,2,0|1,0,0]=3 134 B7R0.9 C[N+](C)(C)CC(=O)[O-] B105555 [0,0,0,0,2,0|1,0,0]=3 135 B7R0.9 C[N+](C)(C)CC(=O)[O-] B105556 [0,0,0,0,2,0|1,0,0]=3 136 B7R0.9 C[N+](C)(C)CC(=O)[O-] B420528 [0,0,0,0,2,0|1,0,0]=3 137 B7R0.9 C[Si](C)(C)CC(=O)O T114555 [0,0,0,0,2,0|2,0,0]=4 138 B9R0.55 CC(=O)OCCOC(=O)C E156135 [1,0,0,0,0,1|2,0,0]=4 139 B9R0.55 CC(=O)OCCOC(=O)C E196368 [1,0,0,0,0,1|2,0,0]=4