0 B8R0.9 C(C(=O)NCC(=O)O)N D302344 [0,0,0,0,0,0|4,0,0]=4 1 B8R0.9 C(C(=O)NCC(=O)O)N G105429 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.9 C(C(=O)NCC(=O)O)N G119491 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.9 C(C(=O)NCC(=O)O)N G119492 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.9 C(C(=O)NCC(=O)O)N G424736 [0,0,0,0,0,0|4,0,0]=4 5 B8R0.9 C(C(=O)O)NC(=O)CCl N159827 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.9 C(CC(=O)O)C(=O)CN A107209 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.9 C=CC(=O)NCC(=O)N N588400 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.9 C=CC(=O)NCC(=O)O A352738 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.9 CC(=O)C=CC(=O)OC M157976 [0,0,0,0,0,0|0,0,2]=2 10 B8R0.9 CC(=O)C=CC(=O)OC M464501 [0,0,0,0,0,0|0,0,2]=2 11 B8R0.9 CC(=O)CCC(=O)OC M157990 [0,0,0,0,0,0|0,0,0]=0 12 B8R0.9 CC(=O)CCC(=O)OC N196982 [0,0,0,0,0,0|0,0,0]=0 13 B8R0.9 CC(=O)NCC(=O)NC A342681 [0,0,0,0,0,0|2,0,0]=2 14 B8R0.9 CC(=O)OCC(=O)CCl A135505 [0,0,0,0,0,0|3,0,0]=3 15 B8R0.9 CC(C)CCC(=O)OC M464241 [0,0,0,0,0,0|1,0,1]=2 16 B8R0.9 CCC(=CCC(=O)O)C M193916 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.9 CCC(=O)CCC(=O)O O165944 [0,0,0,0,0,0|2,0,0]=2 18 B8R0.9 CCC(=O)OCC(C)C I157498 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.9 CCC(C)CCC(=O)O M138303 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.9 CCC(C)COC(=O)C M111920 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.9 CN(C)CCC(=O)OC M170066 [0,0,0,0,0,0|2,0,0]=2 22 B8R0.9 CNC(=O)C=CC(=O)O N159546 [0,0,0,0,0,0|2,0,2]=4 23 B8R0.9 COC(=O)C=CC(=O)O M158075 [0,0,0,0,0,0|1,0,2]=3 24 B8R0.9 COC(=O)C=CC(=O)O M158861 [0,0,0,0,0,0|1,0,2]=3 25 B8R0.9 COC(=O)C=CC(=O)O M422970 [0,0,0,0,0,0|1,0,2]=3 26 B8R0.9 COC(=O)CCC(=O)Cl M132641 [0,0,0,0,0,0|1,0,0]=1 27 B8R0.9 COC(=O)CCC(=O)N M158316 [0,0,0,0,0,0|1,0,0]=1 28 B8R0.9 COC(=O)CCC(=O)O M102991 [0,0,0,0,0,0|1,0,0]=1 29 B8R0.9 COC(=O)CCS(=O)[O-] S139412 [0,0,0,0,0,0|2,0,0]=2 30 B8R0.9 NCC(=O)CCC(O)=O A409271 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.3 CCCCC(=C)CC E156236 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.3 CCCCC(=O)CC H103766 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.3 CCCCC(=O)NN P135113 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.3 CCCCC(=O)OC M108213 [1,0,0,0,0,0|0,0,1]=2 35 B7R0.3 CCCCC(=O)OC M108214 [1,0,0,0,0,0|0,0,1]=2 36 B7R0.3 CCCOC(=O)CC P111531 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.3 CCCOC(=O)CC P111532 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.3 COC(=O)C=CC=C M167458 [1,0,0,0,0,0|0,0,3]=4 39 B7R0.3 COC(=O)C=CC=O M158237 [1,0,0,0,0,0|0,0,2]=3 40 B7R0.3 COC(=O)CCC#N M135512 [1,0,0,0,0,0|1,0,1]=3 41 B7R0.3 COC(=O)CCC#N M293045 [1,0,0,0,0,0|1,0,1]=3 42 B7R0.3 COC(=O)CCC=C M338666 [1,0,0,0,0,0|0,0,1]=2 43 B7R0.3 COC(=O)CCCBr M158832 [1,0,0,0,0,0|1,0,1]=3 44 B7R0.3 COC(=O)CCCBr M492178 [1,0,0,0,0,0|1,0,1]=3 45 B7R0.3 COC(=O)CCCCl C108118 [1,0,0,0,0,0|1,0,1]=3 46 B7R0.3 COC(=O)CCCI M167258 [1,0,0,0,0,0|1,0,1]=3 47 B7R0.3 COC(=O)CCCN M124081 [1,0,0,0,0,0|1,0,1]=3 48 B7R0.3 COC(=O)CCSC M302466 [1,0,0,0,0,0|1,0,0]=2 49 B7R0.3 COC(=O)CN=[N+]=[N-] M168057 [1,0,0,0,0,0|3,0,0]=4 50 B7R0.3 COC(=O)OCC=C A136273 [1,0,0,0,0,0|1,0,1]=3 51 B7R0.3 COC=CC(=O)OC M105075 [1,0,0,0,0,0|1,0,2]=4 52 B7R0.3 COC=CC(=O)OC M135197 [1,0,0,0,0,0|1,0,2]=4 53 B7R0.3 COCCC(=O)OC M134953 [1,0,0,0,0,0|1,0,0]=2 54 B7R0.4 CC(=O)CCCC#N K157732 [1,0,0,0,0,0|2,0,1]=4 55 B7R0.4 CC(=O)CCCCCl C108058 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.4 CC(=O)OCCOC M106167 [1,0,0,0,0,0|1,0,1]=3 57 B7R0.4 CC=CC=CC(=O)C H156931 [1,0,0,0,0,0|1,0,2]=4 58 B7R0.4 CCC=CCC(=O)O H101494 [1,0,0,0,0,0|2,0,1]=4 59 B7R0.4 CCCCCC(=C)C M158504 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.4 CCCCCC(=O)C H103803 [1,0,0,0,0,0|1,0,1]=3 61 B7R0.4 CCCCCC(=O)C H103827 [1,0,0,0,0,0|1,0,1]=3 62 B7R0.4 CCCCCC(=O)Cl H102419 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.4 CCCCCC(=O)Cl H130076 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.4 CCCCCC(=O)N H157108 [1,0,0,0,0,0|2,0,1]=4 65 B7R0.4 CCCCCC(=O)O H103630 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.4 CCCCCC(=O)O H103631 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.4 CCCCCC(=O)O H103632 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.4 CCCCCC(=O)O H278778 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.4 CCCCCC(=O)O H432079 [1,0,0,0,0,0|2,0,1]=4 70 B7R0.4 CCCCCC(=O)[O-] S161313 [1,0,0,0,0,0|2,0,1]=4 71 B7R0.4 CCCCOC(=O)C B116224 [1,0,0,0,0,0|2,0,1]=4 72 B7R0.4 CCCCOC(=O)C B116225 [1,0,0,0,0,0|2,0,1]=4 73 B7R0.4 CCCCOC(=O)C B116227 [1,0,0,0,0,0|2,0,1]=4 74 B7R0.4 CCCCOC(=O)C B116228 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.4 CCCCOC(=O)C B119685 [1,0,0,0,0,0|2,0,1]=4 76 B7R0.4 CCOCCC(=O)C E156453 [1,0,0,0,0,0|2,0,0]=3 77 B7R0.4 CCOCCC(=O)O E156172 [1,0,0,0,0,0|3,0,0]=4 78 B7R0.4 CNCCCC(=O)O M276212 [1,0,0,0,0,0|2,0,1]=4 79 B7R0.4 CNCCCC(=O)O M397624 [1,0,0,0,0,0|2,0,1]=4 80 B7R0.4 COCCCC(=O)O M192558 [1,0,0,0,0,0|1,0,1]=3 81 B7R0.4 COCCOC(=O)Cl M158778 [1,0,0,0,0,0|2,0,1]=4 82 B7R0.6 C(#CC(=O)O)C(=O)O A113362 [1,0,0,0,0,0|1,0,2]=4 83 B7R0.6 C(=CC(=O)O)C(=O)N M158400 [1,0,0,0,0,0|1,0,2]=4 84 B7R0.6 C(=CC(=O)O)C(=O)O A100862 [1,0,0,0,0,0|1,0,2]=4 85 B7R0.6 C(=CC(=O)O)C(=O)O F110741 [1,0,0,0,0,0|1,0,2]=4 86 B7R0.6 C(=CC(=O)O)C(=O)O F110742 [1,0,0,0,0,0|1,0,2]=4 87 B7R0.6 C(=CC(=O)O)C(=O)O F118459 [1,0,0,0,0,0|1,0,2]=4 88 B7R0.6 C(=CC(=O)O)C(=O)O F336547 [1,0,0,0,0,0|1,0,2]=4 89 B7R0.6 C(=CC(=O)O)C(=O)O F420591 [1,0,0,0,0,0|1,0,2]=4 90 B7R0.6 C(=CC(=O)O)C(=O)O F471975 [1,0,0,0,0,0|1,0,2]=4 91 B7R0.6 C(=CC(=O)O)C(=O)O M108864 [1,0,0,0,0,0|1,0,2]=4 92 B7R0.6 C(=CC(=O)O)C(=O)O M108865 [1,0,0,0,0,0|1,0,2]=4 93 B7R0.6 C(=CC(=O)O)C(=O)O M108866 [1,0,0,0,0,0|1,0,2]=4 94 B7R0.6 C(=CC(=O)O)C(=O)O M420590 [1,0,0,0,0,0|1,0,2]=4 95 B7R0.6 C(=CC(=O)O)C(=O)O P100894 [1,0,0,0,0,0|1,0,2]=4 96 B7R0.6 C(=CC(=O)O)C(=O)O P192380 [1,0,0,0,0,0|1,0,2]=4 97 B7R0.6 C(=CC(=O)[O-])C(=O)O M158061 [1,0,0,0,0,0|1,0,2]=4 98 B7R0.6 C(C(=O)O)N=C(N)N G156848 [1,0,0,0,0,0|3,0,0]=4 99 B7R0.6 C(C(=O)O)NC(=O)N H157226 [1,0,0,0,0,0|2,0,0]=3 100 B7R0.6 C(C(=O)O)SC(=N)N S303941 [1,0,0,0,0,0|3,0,0]=4 101 B7R0.6 C(CC(=O)Cl)C(=O)Cl S108669 [1,0,0,0,0,0|2,0,0]=3 102 B7R0.6 C(CC(=O)N)C(=O)N S161127 [1,0,0,0,0,0|2,0,0]=3 103 B7R0.6 C(CC(=O)O)C(=O)O P111885 [1,0,0,0,0,0|1,0,0]=2 104 B7R0.6 C(CC(=O)O)C(=O)O S108852 [1,0,0,0,0,0|1,0,0]=2 105 B7R0.6 C(CC(=O)O)C(=O)O S108853 [1,0,0,0,0,0|1,0,0]=2 106 B7R0.6 C(CC(=O)O)C(=O)O S108854 [1,0,0,0,0,0|1,0,0]=2 107 B7R0.6 C(CC(=O)O)C(=O)O S108855 [1,0,0,0,0,0|1,0,0]=2 108 B7R0.6 C(CC(=O)O)C(=O)O S108856 [1,0,0,0,0,0|1,0,0]=2 109 B7R0.6 C(CC(=O)O)C(=O)O S303059 [1,0,0,0,0,0|1,0,0]=2 110 B7R0.6 C(CC(=O)O)C(=O)O S346179 [1,0,0,0,0,0|1,0,0]=2 111 B7R0.6 C(CC(=O)O)C(=O)O S420589 [1,0,0,0,0,0|1,0,0]=2 112 B7R0.6 C(CC(=O)O)C(=O)O S431423 [1,0,0,0,0,0|1,0,0]=2 113 B7R0.6 C(CC(=O)O)C(=O)O S431424 [1,0,0,0,0,0|1,0,0]=2 114 B7R0.6 C(CC(=O)O)C(=O)O S472090 [1,0,0,0,0,0|1,0,0]=2 115 B7R0.6 C(CC(=O)[O-])C(=O)O M158056 [1,0,0,0,0,0|1,0,0]=2 116 B7R0.6 C(CC(=O)[O-])C(=O)[O-] A112576 [1,0,0,0,0,0|1,0,1]=3 117 B7R0.6 C(CC(=O)[O-])C(=O)[O-] A406520 [1,0,0,0,0,0|1,0,1]=3 118 B7R0.6 C(CC(=O)[O-])C(=O)[O-] D154287 [1,0,0,0,0,0|1,0,1]=3 119 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S112882 [1,0,0,0,0,0|1,0,1]=3 120 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S299565 [1,0,0,0,0,0|1,0,1]=3 121 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S299566 [1,0,0,0,0,0|1,0,1]=3 122 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S421786 [1,0,0,0,0,0|1,0,1]=3 123 B7R0.6 C(C[N+](=O)[O-])C(=O)O N106587 [1,0,0,0,0,0|2,0,0]=3 124 B7R0.6 CC(=C)CCC(=C)C D155280 [1,0,0,0,0,0|2,0,0]=3 125 B7R0.6 CC(=C)COC(=O)C M158238 [1,0,0,0,0,0|2,0,0]=3 126 B7R0.6 CC(=O)CCC(=O)C H106697 [1,0,0,0,0,0|0,0,0]=1 127 B7R0.6 CC(=O)CCC(=O)C H106698 [1,0,0,0,0,0|0,0,0]=1 128 B7R0.6 CC(=O)CCC(=O)C H106699 [1,0,0,0,0,0|0,0,0]=1 129 B7R0.6 CC(=O)CCC(=O)O L104281 [1,0,0,0,0,0|0,0,0]=1 130 B7R0.6 CC(=O)CCC(=O)O L278641 [1,0,0,0,0,0|0,0,0]=1 131 B7R0.6 CC(=O)CCC(=O)O L298748 [1,0,0,0,0,0|0,0,0]=1 132 B7R0.6 CC(=O)CCC(=O)O L421026 [1,0,0,0,0,0|0,0,0]=1 133 B7R0.6 CC(=O)COC(=O)C A151657 [1,0,0,0,0,0|1,0,0]=2 134 B7R0.6 CC(=O)NCC(=O)O A103973 [1,0,0,0,0,0|1,0,0]=2 135 B7R0.6 CC(=O)OCC(=O)Cl A100732 [1,0,0,0,0,0|2,0,0]=3 136 B7R0.6 CC(=O)OCC(=O)O A167143 [1,0,0,0,0,0|1,0,0]=2 137 B7R0.6 CC(=O)SCC(=O)O S131714 [1,0,0,0,0,0|1,0,0]=2 138 B7R0.6 CC(=S)NCC(=O)O N159832 [1,0,0,0,0,0|1,1,0]=3 139 B7R0.6 CC(C)CCC(=C)C D155278 [1,0,0,0,0,0|2,0,1]=4 140 B7R0.6 CC(C)CCC(=O)C M106666 [1,0,0,0,0,0|1,0,1]=3 141 B7R0.6 CC(C)CCC(=O)Cl M158759 [1,0,0,0,0,0|2,0,1]=4 142 B7R0.6 CC(C)CCC(=O)O M117869 [1,0,0,0,0,0|1,0,1]=3 143 B7R0.6 CC(C)COC(=O)C I110418 [1,0,0,0,0,0|2,0,1]=4 144 B7R0.6 CC(C)COC(=O)C I110419 [1,0,0,0,0,0|2,0,1]=4 145 B7R0.6 CN(C)CCC(=O)O D132248 [1,0,0,0,0,0|2,0,0]=3 146 B7R0.6 C[S+](C)CCC(=O)O C153876 [1,0,0,0,0,0|2,0,0]=3 147 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K105570 [0,1,0,0,0,0|3,0,0]=4 148 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K105571 [0,1,0,0,0,0|3,0,0]=4 149 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K423350 [0,1,0,0,0,0|3,0,0]=4 150 B9R0.7 C(CC(=O)[O-])C(=O)C(=O)[O-] D154292 [0,1,0,0,0,0|3,0,0]=4 151 B9R0.7 CC(C(=O)NCC(=O)O)N A121374 [0,1,0,0,0,0|3,0,0]=4 152 B9R0.7 CC(C(=O)NCC(=O)O)N D299795 [0,1,0,0,0,0|3,0,0]=4 153 B9R0.7 CC(C(=O)NCC(=O)O)S M106464 [0,1,0,0,0,0|3,0,0]=4 154 B9R0.7 CC(C)C(=O)NCC(=O)O I352817 [0,1,0,0,0,0|3,0,0]=4 155 B9R0.7 CC(S)C(=O)NCC(O)=O T408799 [0,1,0,0,0,0|3,0,0]=4 156 B9R0.7 CN(C)C(=O)CCC(=O)O N491469 [0,1,0,0,0,0|2,0,0]=3 157 B9R0.21 COC(=O)CCS(=O)(=O)Cl M181729 [0,1,0,0,0,0|2,0,0]=3 158 B9R0.23 CC(=O)CC(=O)C(=O)OC M132958 [0,1,0,0,0,0|0,0,1]=2 159 B9R0.23 CC(=O)NC(=C)C(=O)OC M157974 [0,1,0,0,0,0|1,0,1]=3 160 B9R0.23 CC(C(=O)OC)NC(=O)C M157975 [0,1,0,0,0,0|1,0,0]=2 161 B9R0.23 CC(C)CC(C(=O)OC)N L109004 [0,1,0,0,0,0|1,0,1]=3 162 B9R0.23 CC(C)CC(C(=O)OC)N L113357 [0,1,0,0,0,0|1,0,1]=3 163 B9R0.23 COC(=O)C(CC(=O)O)N A116967 [0,1,0,0,0,0|1,0,0]=2 164 B9R0.23 COC(=O)C(CC(=O)O)N D351608 [0,1,0,0,0,0|1,0,0]=2 165 B9R0.23 COC(=O)C(CC(=O)O)N H185839 [0,1,0,0,0,0|1,0,0]=2 166 B9R0.24 C(CC(=O)NN)C(=O)NN S161141 [0,1,0,0,0,0|3,0,0]=4 167 B9R0.24 COC(=O)/C=C/C(=O)OC D408186 [0,1,0,0,0,0|0,0,2]=3 168 B9R0.24 COC(=O)C#CC(=O)OC D102918 [0,1,0,0,0,0|0,0,2]=3 169 B9R0.24 COC(=O)C=CC(=O)OC D106459 [0,1,0,0,0,0|0,0,2]=3 170 B9R0.24 COC(=O)C=CC(=O)OC D106460 [0,1,0,0,0,0|0,0,2]=3 171 B9R0.24 COC(=O)C=CC(=O)OC D108608 [0,1,0,0,0,0|0,0,2]=3 172 B9R0.24 COC(=O)CCC(=O)CN M158394 [0,1,0,0,0,0|0,0,0]=1 173 B9R0.24 COC(=O)CCC(=O)CN M426001 [0,1,0,0,0,0|0,0,0]=1 174 B9R0.24 COC(=O)CCC(=O)OC D103952 [0,1,0,0,0,0|0,0,0]=1 175 B9R0.24 COC(=O)CCC(=O)OC D103953 [0,1,0,0,0,0|0,0,0]=1 176 B9R0.24 COC(=O)NN=C(CCl)N N347712 [0,1,0,0,0,0|3,0,0]=4 177 B9R0.42 CC(C)C(=O)CC(=O)OC M106811 [0,1,0,0,0,0|1,0,2]=4 178 B9R0.42 COC(=O)CC(=C)C(=O)O M158383 [0,1,0,0,0,0|1,0,1]=3 179 B9R0.42 COC(=O)CC(=C)C(=O)O M298585 [0,1,0,0,0,0|1,0,1]=3 180 B9R0.42 COC(=O)CC(C(=O)O)N A100440 [0,1,0,0,0,0|1,0,0]=2 181 B9R0.42 COC(=O)CC(C(=O)O)N L591069 [0,1,0,0,0,0|1,0,0]=2 182 B9R0.43 CCC(COC(=O)C)OC M158006 [0,1,0,0,0,0|2,0,1]=4 183 B9R0.48 CCOC(=O)C=CC(=O)Cl E131474 [0,1,0,0,0,0|1,0,2]=4 184 B9R0.48 CCOC(=O)C=CC(=O)O M157991 [0,1,0,0,0,0|1,0,2]=4 185 B9R0.48 CCOC(=O)C=CC(=O)O Z135126 [0,1,0,0,0,0|1,0,2]=4 186 B9R0.48 CCOC(=O)CCC(=O)C E117674 [0,1,0,0,0,0|0,0,0]=1 187 B9R0.48 CCOC(=O)CCC(=O)Cl E131894 [0,1,0,0,0,0|1,0,0]=2 188 B9R0.48 CCOC(=O)CCC(=O)O M102994 [0,1,0,0,0,0|1,0,0]=2 189 B9R0.48 CCOC(=O)CCC(C)C E169064 [0,1,0,0,0,0|1,0,1]=3 190 B9R0.48 CCOC(=O)CNC(=O)C A109217 [0,1,0,0,0,0|1,0,0]=2 191 B9R1.1 CCC1CCC(=O)CC1 E115523 [0,0,0,1,0,0|2,0,1]=4 192 B9R1.1 CCN1CCC(=O)CC1 E156493 [0,0,0,1,0,0|3,0,0]=4 193 B9R1.1 COC1CCC(=O)CC1 M587028 [0,0,0,1,0,0|1,0,1]=3 194 B9R1.10 C1CS(=O)(=O)CCC1=O T161723 [0,0,0,1,0,0|3,0,0]=4 195 B9R1.10 CC1(CCC(=O)CC1)C D120758 [0,0,0,1,0,0|2,0,1]=4 196 B9R1.35 C1C(CNC1=O)C(=O)O O177293 [0,0,0,1,0,0|2,0,0]=3 197 B9R1.35 C1C(NC(=O)S1)C(=O)O S161109 [0,0,0,1,0,0|2,1,0]=4 198 B9R1.35 C1CC(=O)CC1C(=O)O S177273 [0,0,0,1,0,0|2,0,0]=3 199 B9R1.35 C1CC(=O)NC1C(=O)O H427210 [0,0,0,1,0,0|3,0,0]=4 200 B9R1.35 C1CC(=O)NC1C(=O)O P106003 [0,0,0,1,0,0|3,0,0]=4 201 B9R1.35 C1CC(=O)NC1C(=O)O P106004 [0,0,0,1,0,0|3,0,0]=4 202 B9R1.35 C1CC(=O)NC1C(=O)O P106190 [0,0,0,1,0,0|3,0,0]=4 203 B9R1.35 C1CC(=O)NC1C(=O)O P106219 [0,0,0,1,0,0|3,0,0]=4 204 B9R1.35 C1CC(=O)NC1C(=O)[O-] L303332 [0,0,0,1,0,0|3,0,0]=4 205 B9R1.35 C1CC(=O)NC1C(=O)[O-] S300331 [0,0,0,1,0,0|3,0,0]=4 206 B9R1.35 C1CC(=O)OC1C(=O)O O589119 [0,0,0,1,0,0|3,0,0]=4 207 B9R1.35 C1CC(=O)OC1C(=O)O R160887 [0,0,0,1,0,0|3,0,0]=4 208 B9R1.35 C1CC(=O)OC1C(=O)O S161230 [0,0,0,1,0,0|3,0,0]=4 209 B9R1.35 CC(C)C1COC(=O)N1 I107588 [0,0,0,1,0,0|2,0,1]=4 210 B9R1.35 CC(C)C1COC(=O)N1 I107589 [0,0,0,1,0,0|2,0,1]=4 211 B9R1.49 CN1CCCC(=O)CC1 M587966 [0,0,0,1,0,0|3,0,0]=4 212 B9R1.69 CC1C(=O)NCC(=O)N1 C184604 [0,0,0,1,0,0|3,0,0]=4 213 B9R1.69 CC1CCC(=O)CC1C D154364 [0,0,0,1,0,0|2,0,1]=4 214 B9R1.69 CC1CN(CCC1=O)C D154313 [0,0,0,1,0,0|3,0,0]=4 215 B9R1.82 COC(=O)C1CC(=O)C1 M589916 [0,0,0,1,0,0|0,0,0]=1 216 B9R1.82 COC(=O)C1CC(C1)O M176607 [0,0,0,1,0,0|0,0,2]=3 217 B9R1.82 COC(=O)C1CC(C1)O M176998 [0,0,0,1,0,0|0,0,2]=3 218 B9R1.82 COC(=O)C1CC(C1)O M176999 [0,0,0,1,0,0|0,0,2]=3 219 B7R0.2 CC(=CC(=O)OC)C M102001 [0,0,0,0,1,0|1,0,1]=3 220 B7R0.2 CC(=CC(=O)OC)N A102015 [0,0,0,0,1,0|1,0,1]=3 221 B7R0.2 CC(=O)/C=C(/C)O[Rh] A118542 [0,0,0,0,1,0|2,0,1]=4 222 B7R0.2 CC(=O)/C=C(/C)O[Rh] A293954 [0,0,0,0,1,0|2,0,1]=4 223 B7R0.2 CC(=O)CC(=O)OC M108598 [0,0,0,0,1,0|0,0,0]=1 224 B7R0.2 CC(=O)CC(=O)OC M108599 [0,0,0,0,1,0|0,0,0]=1 225 B7R0.2 CC(=O)CC(=O)OC M108601 [0,0,0,0,1,0|0,0,0]=1 226 B7R0.2 CC(=O)NC(=O)NC A151230 [0,0,0,0,1,0|2,0,0]=3 227 B7R0.2 CC(C)CC(=O)OC M157988 [0,0,0,0,1,0|1,0,1]=3 228 B7R0.2 CC(CC(=O)OC)N R190811 [0,0,0,0,1,0|1,0,1]=3 229 B7R0.2 CC(CC(=O)OC)N S587134 [0,0,0,0,1,0|1,0,1]=3 230 B7R0.2 CC(CC(=O)OC)O H124084 [0,0,0,0,1,0|0,0,2]=3 231 B7R0.2 CC(CC(=O)OC)O H124101 [0,0,0,0,1,0|0,0,2]=3 232 B7R0.2 CCC(=O)CC(=O)C H192611 [0,0,0,0,1,0|1,0,0]=2 233 B7R0.2 CCC(=O)CC(C)C E156458 [0,0,0,0,1,0|2,0,1]=4 234 B7R0.2 CN(C)CC(=O)OC N304465 [0,0,0,0,1,0|2,0,0]=3 235 B7R0.2 COC(=O)CC(=O)Cl M106674 [0,0,0,0,1,0|1,0,0]=2 236 B7R0.2 COC(=O)CC(=O)Cl M489935 [0,0,0,0,1,0|1,0,0]=2 237 B7R0.2 COC(=O)CC(=O)Cl M615708 [0,0,0,0,1,0|1,0,0]=2 238 B7R0.2 COC(=O)CC(=O)O M132669 [0,0,0,0,1,0|1,0,0]=2 239 B7R0.2 COC(=O)CC(=O)[O-] H135114 [0,0,0,0,1,0|1,0,0]=2 240 B7R0.2 COC(=O)C[N+](=O)[O-] M158866 [0,0,0,0,1,0|2,0,0]=3 241 B7R0.2 C\C(=C\C(=O)OC)\[O-] M579792 [0,0,0,0,1,0|0,0,2]=3 242 B9R0.1 C=CC(=O)OCCC(=O)O C303186 [0,0,0,0,0,1|2,0,1]=4 243 B9R0.1 CC(=O)CCCC(=O)OC M299485 [0,0,0,0,0,1|0,0,0]=1 244 B9R0.1 CC(CCOC(=O)C)OC M118697 [0,0,0,0,0,1|1,0,1]=3 245 B9R0.1 CCC(=O)OCCC(C)C I101112 [0,0,0,0,0,1|2,0,1]=4 246 B9R0.1 CCC(C)OCCC(=O)C S161386 [0,0,0,0,0,1|2,0,1]=4 247 B9R0.1 COC(=O)CCCC(=O)Cl G104122 [0,0,0,0,0,1|1,0,0]=2 248 B9R0.1 COC(=O)CCCC(=O)O M102986 [0,0,0,0,0,1|1,0,0]=2 249 B9R0.1 COC(=O)CCC[N+](=O)[O-] N131960 [0,0,0,0,0,1|2,0,0]=3 250 B6R0.1 CC#CC(=O)OC M158860 [2,0,0,0,0,0|0,0,2]=4 251 B6R0.1 CC=CC(=O)OC M109486 [2,0,0,0,0,0|0,0,1]=3 252 B6R0.1 CCC(=O)C=CC E404567 [2,0,0,0,0,0|1,0,1]=4 253 B6R0.1 CCC(=O)C=CC H111425 [2,0,0,0,0,0|1,0,1]=4 254 B6R0.1 CCC(=O)OCC E103457 [2,0,0,0,0,0|2,0,0]=4 255 B6R0.1 CCC(=O)OCC E103458 [2,0,0,0,0,0|2,0,0]=4 256 B6R0.1 CCC(=O)OCC E103459 [2,0,0,0,0,0|2,0,0]=4 257 B6R0.1 CCC(=O)OCC E103460 [2,0,0,0,0,0|2,0,0]=4 258 B6R0.1 CCC(=O)OCC E278958 [2,0,0,0,0,0|2,0,0]=4 259 B6R0.1 CCC(=O)SCC S133123 [2,0,0,0,0,0|2,0,0]=4 260 B6R0.1 CCCC(=O)CC H106710 [2,0,0,0,0,0|1,0,0]=3 261 B6R0.1 CCCC(=O)NN B183968 [2,0,0,0,0,0|2,0,0]=4 262 B6R0.1 CCCC(=O)OC M100038 [2,0,0,0,0,0|0,0,0]=2 263 B6R0.1 CCCC(=O)OC M100039 [2,0,0,0,0,0|0,0,0]=2 264 B6R0.1 CCCC(=O)OC M100040 [2,0,0,0,0,0|0,0,0]=2 265 B6R0.1 CCCC(=O)SC M102997 [2,0,0,0,0,0|0,1,0]=3 266 B6R0.1 CCOC(=O)OC E110111 [2,0,0,0,0,0|1,0,0]=3 267 B6R0.1 CCOC(=O)OC E433135 [2,0,0,0,0,0|1,0,0]=3 268 B6R0.1 COC(=O)C=CI E589680 [2,0,0,0,0,0|1,0,1]=4 269 B6R0.1 COC(=O)CC#N M110112 [2,0,0,0,0,0|1,0,1]=4 270 B6R0.1 COC(=O)CC=C M341924 [2,0,0,0,0,0|0,0,1]=3 271 B6R0.1 COC(=O)CCBr M158830 [2,0,0,0,0,0|1,0,0]=3 272 B6R0.1 COC(=O)CCN A104532 [2,0,0,0,0,0|1,0,0]=3 273 B6R0.1 COC(=O)CCO D304149 [2,0,0,0,0,0|0,0,1]=3 274 B6R0.1 COC(=O)CCS M107600 [2,0,0,0,0,0|0,1,0]=3 275 B6R0.1 COC(=O)CSC M120419 [2,0,0,0,0,0|1,0,0]=3 276 B6R0.1 COC(=O)C[N+]#[C-] M157837 [2,0,0,0,0,0|1,0,1]=4 277 B6R0.1 COC(=O)OCCl C347908 [2,0,0,0,0,0|2,0,0]=4 278 B6R0.1 COCC(=O)OC M106398 [2,0,0,0,0,0|1,0,0]=3 279 B6R0.4 C#CCCC(=O)O P133515 [2,0,0,0,0,0|0,0,2]=4 280 B6R0.4 C(C(=O)O)NC=O N159822 [2,0,0,0,0,0|1,0,0]=3 281 B6R0.4 C(CC(=O)O)C#N C191241 [2,0,0,0,0,0|1,0,1]=4 282 B6R0.4 C(CC(=O)O)CBr B106907 [2,0,0,0,0,0|1,0,1]=4 283 B6R0.4 C(CC(=O)O)CCl C134513 [2,0,0,0,0,0|1,0,1]=4 284 B6R0.4 C(CC(=O)O)CN A104200 [2,0,0,0,0,0|1,0,1]=4 285 B6R0.4 C(CC(=O)O)CN A293557 [2,0,0,0,0,0|1,0,1]=4 286 B6R0.4 C(CC(=O)O)CN A424756 [2,0,0,0,0,0|1,0,1]=4 287 B6R0.4 C(CC(=O)O)CN A468499 [2,0,0,0,0,0|1,0,1]=4 288 B6R0.4 C(CC(=O)O)CN A472038 [2,0,0,0,0,0|1,0,1]=4 289 B6R0.4 C(CC(=O)O)CN G276591 [2,0,0,0,0,0|1,0,1]=4 290 B6R0.4 C=CCCC(=O)Cl P278805 [2,0,0,0,0,0|1,0,1]=4 291 B6R0.4 C=CCCC(=O)O P160582 [2,0,0,0,0,0|0,0,1]=3 292 B6R0.4 CC(=O)C=COC M113467 [2,0,0,0,0,0|0,0,1]=3 293 B6R0.4 CC(=O)C=COC M434875 [2,0,0,0,0,0|0,0,1]=3 294 B6R0.4 CC(=O)CCC=C H113634 [2,0,0,0,0,0|0,0,1]=3 295 B6R0.4 CC(=O)CCCBr B345087 [2,0,0,0,0,0|1,0,1]=4 296 B6R0.4 CC(=O)CCCCl C108070 [2,0,0,0,0,0|1,0,1]=4 297 B6R0.4 CC(=O)CCSC M135087 [2,0,0,0,0,0|0,1,0]=3 298 B6R0.4 CC(=O)NCCO A112970 [2,0,0,0,0,0|1,0,1]=4 299 B6R0.4 CC(=O)NCCO A112971 [2,0,0,0,0,0|1,0,1]=4 300 B6R0.4 CC(=O)OCC=C A107305 [2,0,0,0,0,0|1,0,1]=4 301 B6R0.4 CC(=O)OCCO H156959 [2,0,0,0,0,0|1,0,1]=4 302 B6R0.4 CC(C)CCC=O M586390 [2,0,0,0,0,0|1,0,1]=4 303 B6R0.4 CC=CCC(=O)O P165142 [2,0,0,0,0,0|0,0,1]=3 304 B6R0.4 CCCCC(=O)Br V162931 [2,0,0,0,0,0|1,0,1]=4 305 B6R0.4 CCCCC(=O)C H105743 [2,0,0,0,0,0|0,0,1]=3 306 B6R0.4 CCCCC(=O)C H105744 [2,0,0,0,0,0|0,0,1]=3 307 B6R0.4 CCCCC(=O)C H111491 [2,0,0,0,0,0|0,0,1]=3 308 B6R0.4 CCCCC(=O)C H141140 [2,0,0,0,0,0|0,0,1]=3 309 B6R0.4 CCCCC(=O)Cl V107241 [2,0,0,0,0,0|1,0,1]=4 310 B6R0.4 CCCCC(=O)N V162967 [2,0,0,0,0,0|1,0,1]=4 311 B6R0.4 CCCCC(=O)O V108269 [2,0,0,0,0,0|0,0,1]=3 312 B6R0.4 CCCCC(=O)O V108270 [2,0,0,0,0,0|0,0,1]=3 313 B6R0.4 CCCCC(=O)O V108271 [2,0,0,0,0,0|0,0,1]=3 314 B6R0.4 CCCCC(=O)O V108272 [2,0,0,0,0,0|0,0,1]=3 315 B6R0.4 CCCCC(=O)O V302252 [2,0,0,0,0,0|0,0,1]=3 316 B6R0.4 CCCCC(=O)[O-] S194180 [2,0,0,0,0,0|0,0,2]=4 317 B6R0.4 CCCC[Sn](=O)O M107696 [2,0,0,0,0,0|1,0,1]=4 318 B6R0.4 CCCOC(=O)C P103882 [2,0,0,0,0,0|1,0,1]=4 319 B6R0.4 CCCOC(=O)C P103883 [2,0,0,0,0,0|1,0,1]=4 320 B6R0.4 CCCSC(=O)C S161333 [2,0,0,0,0,0|1,0,1]=4 321 B6R0.4 CCNCC(=O)O N159193 [2,0,0,0,0,0|1,0,1]=4 322 B6R0.4 CCOCC(=O)O E156174 [2,0,0,0,0,0|1,0,1]=4 323 B6R0.4 CCSCC(=O)O E300419 [2,0,0,0,0,0|1,0,1]=4 324 B6R0.4 CNCCC(=O)O M183299 [2,0,0,0,0,0|1,0,0]=3 325 B6R0.4 COCCC(=O)O M169065 [2,0,0,0,0,0|1,0,0]=3 326 B6R0.4 CSCCC(=O)Cl M158416 [2,0,0,0,0,0|1,1,0]=4 327 B6R0.4 CSCCC(=O)O M158072 [2,0,0,0,0,0|1,0,0]=3 328 B6R0.6 CCCCCC=O C109199 [2,0,0,0,0,0|1,0,1]=4 329 B6R0.6 CCCCCC=O C109200 [2,0,0,0,0,0|1,0,1]=4 330 B8R0.1 CCCCC(=O)C=CC O160046 [1,1,0,0,0,0|1,0,1]=4 331 B8R0.1 CCCCC(=O)CCC O160045 [1,1,0,0,0,0|1,0,1]=4 332 B8R0.1 CCCCC(=O)OCC E105293 [1,1,0,0,0,0|0,0,1]=3 333 B8R0.1 CCCCC(=O)OCC E105294 [1,1,0,0,0,0|0,0,1]=3 334 B8R0.1 CCCCC(=O)OCC E118465 [1,1,0,0,0,0|0,0,1]=3 335 B8R0.1 CCOC(=O)C=CC=O E189100 [1,1,0,0,0,0|0,0,2]=4 336 B8R0.1 CCOC(=O)CCC=C E156151 [1,1,0,0,0,0|0,0,1]=3 337 B8R0.1 CCOC(=O)CCCBr E106908 [1,1,0,0,0,0|1,0,1]=4 338 B8R0.1 CCOC(=O)CCCBr E639064 [1,1,0,0,0,0|1,0,1]=4 339 B8R0.1 CCOC(=O)CCCCl E135072 [1,1,0,0,0,0|1,0,1]=4 340 B8R0.1 CCOC(=O)CCCCl E493598 [1,1,0,0,0,0|1,0,1]=4 341 B8R0.1 CCOC(=O)CCCN E122453 [1,1,0,0,0,0|1,0,1]=4 342 B8R0.1 CCOC(=O)CCC[CH2-] E465916 [1,1,0,0,0,0|0,0,2]=4 343 B8R0.1 CCOC(=O)CCSC E107629 [1,1,0,0,0,0|1,0,0]=3 344 B8R0.1 CCOC(=O)CN=C=O E156271 [1,1,0,0,0,0|1,0,1]=4 345 B8R0.1 CCOC(=O)CNC=O N159320 [1,1,0,0,0,0|1,0,0]=3 346 B8R0.1 CCOC(=O)OCC=C A151039 [1,1,0,0,0,0|1,0,1]=4 347 B8R0.1 CCOCC(=O)OCC E195171 [1,1,0,0,0,0|1,0,1]=4 348 B8R0.3 CC(COC)C(=O)OC M157985 [1,1,0,0,0,0|1,0,0]=3 349 B8R0.3 CCCC(C)C(=O)OC B300583 [1,1,0,0,0,0|0,0,1]=3 350 B8R0.3 COC(=O)C(CCBr)Br M588617 [1,1,0,0,0,0|1,0,1]=4 351 B8R0.6 CC=CC=CC(=O)OC M158512 [1,1,0,0,0,0|0,0,2]=4 352 B8R0.6 CCCC=CC(=O)OC M134288 [1,1,0,0,0,0|0,0,2]=4 353 B8R0.6 CCCCCC(=O)CC O106928 [1,1,0,0,0,0|1,0,1]=4 354 B8R0.6 CCCCCC(=O)CC O106929 [1,1,0,0,0,0|1,0,1]=4 355 B8R0.6 CCCCCC(=O)OC M112312 [1,1,0,0,0,0|0,0,1]=3 356 B8R0.6 CCCCCC(=O)OC M112313 [1,1,0,0,0,0|0,0,1]=3 357 B8R0.6 CCCCCC(=O)OC M112314 [1,1,0,0,0,0|0,0,1]=3 358 B8R0.6 CCCCOC(=O)CC B152863 [1,1,0,0,0,0|1,0,1]=4 359 B8R0.6 COC(=O)CCCC=C M158008 [1,1,0,0,0,0|0,0,1]=3 360 B8R0.6 COC(=O)CCCC=O M589623 [1,1,0,0,0,0|0,0,0]=2 361 B8R0.6 COC(=O)CCCCBr M157983 [1,1,0,0,0,0|0,0,1]=3 362 B8R0.6 COC(=O)CCCCCl M167259 [1,1,0,0,0,0|0,0,1]=3 363 B8R0.6 COC(=O)COCCCl M195238 [1,1,0,0,0,0|1,0,1]=4 364 B8R0.8 CCCCC(=O)C(=O)C H106591 [1,1,0,0,0,0|1,0,1]=4 365 B8R0.8 CCCCC(=O)C(C)C M158862 [1,1,0,0,0,0|1,0,1]=4 366 B8R0.8 CN(C)C(=O)CCOC M404748 [1,1,0,0,0,0|2,0,0]=4 367 B8R0.19 CCC(=O)CC(=O)OC M109572 [1,1,0,0,0,0|0,0,2]=4 368 B8R0.19 CCC(C)CC(=O)CC M158857 [1,1,0,0,0,0|1,0,1]=4 369 B8R0.19 CCC(CC(=O)OC)O M465384 [1,1,0,0,0,0|0,0,1]=3 370 B8R0.19 COC(=O)CC(=O)OC D103051 [1,1,0,0,0,0|1,0,1]=4 371 B8R0.5 CC(COC)OC(=O)C P106790 [1,1,0,0,0,0|1,0,1]=4 372 B8R0.5 CC(COC)OC(=O)C P299435 [1,1,0,0,0,0|1,0,1]=4 373 B8R0.7 CC(=O)OCCCSC M157982 [1,1,0,0,0,0|0,1,1]=4 374 B8R0.7 CCCCCCC(=O)C O111186 [1,1,0,0,0,0|1,0,1]=4 375 B8R0.7 CCCCCCC(=O)C O111187 [1,1,0,0,0,0|1,0,1]=4 376 B8R0.7 CCCCCOC(=O)C A103450 [1,1,0,0,0,0|1,0,1]=4 377 B8R0.7 CCCCCOC(=O)C A103451 [1,1,0,0,0,0|1,0,1]=4 378 B8R0.7 CCCCCOC(=O)C A103452 [1,1,0,0,0,0|1,0,1]=4 379 B8R0.7 CCOCCOC(=O)C E105181 [1,1,0,0,0,0|1,0,1]=4 380 B8R0.7 CCOCCOC(=O)C E105183 [1,1,0,0,0,0|1,0,1]=4 381 B8R0.7 CCOCCOC(=O)C E105184 [1,1,0,0,0,0|1,0,1]=4 382 B8R0.7 COCCOCC(=O)O M138320 [1,1,0,0,0,0|1,0,1]=4 383 B8R0.28 CC(=CCCC(=O)C)C M117483 [1,1,0,0,0,0|1,0,0]=3 384 B8R0.28 CC(=CCOC(=O)C)C P138080 [1,1,0,0,0,0|2,0,0]=4 385 B8R0.28 CC(C)CCCC(=O)C M158865 [1,1,0,0,0,0|1,0,1]=4 386 B8R0.23 C(C(=O)C(=O)O)C(=O)O O107187 [1,1,0,0,0,0|1,0,1]=4 387 B8R0.23 C(C(C(=O)N)N)C(=O)O D182538 [1,1,0,0,0,0|1,0,0]=3 388 B8R0.23 C(C(C(=O)O)Br)C(=O)O B106958 [1,1,0,0,0,0|1,0,0]=3 389 B8R0.23 C(C(C(=O)O)N)C(=O)N A105949 [1,1,0,0,0,0|1,0,0]=3 390 B8R0.23 C(C(C(=O)O)N)C(=O)N A108223 [1,1,0,0,0,0|1,0,0]=3 391 B8R0.23 C(C(C(=O)O)N)C(=O)N A108224 [1,1,0,0,0,0|1,0,0]=3 392 B8R0.23 C(C(C(=O)O)N)C(=O)N A110994 [1,1,0,0,0,0|1,0,0]=3 393 B8R0.23 C(C(C(=O)O)N)C(=O)N A117781 [1,1,0,0,0,0|1,0,0]=3 394 B8R0.23 C(C(C(=O)O)N)C(=O)N A119452 [1,1,0,0,0,0|1,0,0]=3 395 B8R0.23 C(C(C(=O)O)N)C(=O)N D121586 [1,1,0,0,0,0|1,0,0]=3 396 B8R0.23 C(C(C(=O)O)N)C(=O)N L424868 [1,1,0,0,0,0|1,0,0]=3 397 B8R0.23 C(C(C(=O)O)N)C(=O)N L425606 [1,1,0,0,0,0|1,0,0]=3 398 B8R0.23 C(C(C(=O)O)N)C(=O)N L478521 [1,1,0,0,0,0|1,0,0]=3 399 B8R0.23 C(C(C(=O)O)N)C(=O)O A105951 [1,1,0,0,0,0|1,0,0]=3 400 B8R0.23 C(C(C(=O)O)N)C(=O)O A108708 [1,1,0,0,0,0|1,0,0]=3 401 B8R0.23 C(C(C(=O)O)N)C(=O)O A108860 [1,1,0,0,0,0|1,0,0]=3 402 B8R0.23 C(C(C(=O)O)N)C(=O)O A108861 [1,1,0,0,0,0|1,0,0]=3 403 B8R0.23 C(C(C(=O)O)N)C(=O)O A117776 [1,1,0,0,0,0|1,0,0]=3 404 B8R0.23 C(C(C(=O)O)N)C(=O)O A117777 [1,1,0,0,0,0|1,0,0]=3 405 B8R0.23 C(C(C(=O)O)N)C(=O)O A137730 [1,1,0,0,0,0|1,0,0]=3 406 B8R0.23 C(C(C(=O)O)N)C(=O)O A304400 [1,1,0,0,0,0|1,0,0]=3 407 B8R0.23 C(C(C(=O)O)N)C(=O)O L274318 [1,1,0,0,0,0|1,0,0]=3 408 B8R0.23 C(C(C(=O)O)N)C(=O)O L424798 [1,1,0,0,0,0|1,0,0]=3 409 B8R0.23 C(C(C(=O)O)N)C(=O)O L471827 [1,1,0,0,0,0|1,0,0]=3 410 B8R0.23 C(C(C(=O)O)N)C(=O)O L475308 [1,1,0,0,0,0|1,0,0]=3 411 B8R0.23 C(C(C(=O)O)N)C(=O)O L476204 [1,1,0,0,0,0|1,0,0]=3 412 B8R0.23 C(C(C(=O)O)N)C(=O)O M132322 [1,1,0,0,0,0|1,0,0]=3 413 B8R0.23 C(C(C(=O)O)N)C(=O)O P303238 [1,1,0,0,0,0|1,0,0]=3 414 B8R0.23 C(C(C(=O)O)N)C(=O)O S432943 [1,1,0,0,0,0|1,0,0]=3 415 B8R0.23 C(C(C(=O)O)N)C(=O)[O-] L182670 [1,1,0,0,0,0|1,0,0]=3 416 B8R0.23 C(C(C(=O)O)N)S(=O)O L288573 [1,1,0,0,0,0|2,0,0]=4 417 B8R0.23 C(C(C(=O)O)O)C(=O)O D425543 [1,1,0,0,0,0|1,0,0]=3 418 B8R0.23 C(C(C(=O)O)O)C(=O)O D433328 [1,1,0,0,0,0|1,0,0]=3 419 B8R0.23 C(C(C(=O)O)O)C(=O)O L427197 [1,1,0,0,0,0|1,0,0]=3 420 B8R0.23 C(C(C(=O)O)O)C(=O)O M101126 [1,1,0,0,0,0|1,0,0]=3 421 B8R0.23 C(C(C(=O)O)O)C(=O)O M105695 [1,1,0,0,0,0|1,0,0]=3 422 B8R0.23 C(C(C(=O)O)O)C(=O)O M105696 [1,1,0,0,0,0|1,0,0]=3 423 B8R0.23 C(C(C(=O)O)O)C(=O)O M109342 [1,1,0,0,0,0|1,0,0]=3 424 B8R0.23 C(C(C(=O)O)O)C(=O)O M119455 [1,1,0,0,0,0|1,0,0]=3 425 B8R0.23 C(C(C(=O)O)O)C(=O)O P160725 [1,1,0,0,0,0|1,0,0]=3 426 B8R0.23 C(C(C(=O)O)S)C(=O)O M109507 [1,1,0,0,0,0|1,0,0]=3 427 B8R0.23 C(C(C(=O)[O-])N)C(=O)O D465226 [1,1,0,0,0,0|1,0,0]=3 428 B8R0.23 C(C(C(=O)[O-])N)C(=O)O L193085 [1,1,0,0,0,0|1,0,0]=3 429 B8R0.23 C(C(C(=O)[O-])N)C(=O)O L465034 [1,1,0,0,0,0|1,0,0]=3 430 B8R0.23 C(C(C(=O)[O-])N)C(=O)O P160327 [1,1,0,0,0,0|1,0,0]=3 431 B8R0.23 C(C(C(=O)[O-])N)C(=O)O S169558 [1,1,0,0,0,0|1,0,0]=3 432 B8R0.23 C(C(C(=O)[O-])N)C(=O)[O-] D351328 [1,1,0,0,0,0|1,0,1]=4 433 B8R0.23 C(C(C(=O)[O-])N)C(=O)[O-] S193941 [1,1,0,0,0,0|1,0,1]=4 434 B8R0.23 C(C(C(=O)[O-])O)C(=O)[O-] C305183 [1,1,0,0,0,0|1,0,1]=4 435 B8R0.23 C(C(C(=O)[O-])O)C(=O)[O-] D154290 [1,1,0,0,0,0|1,0,1]=4 436 B8R0.23 C(C(C(=O)[O-])O)C(=O)[O-] D302750 [1,1,0,0,0,0|1,0,1]=4 437 B8R0.23 C(C(C(=O)[O-])O)C(=O)[O-] L332299 [1,1,0,0,0,0|1,0,1]=4 438 B8R0.23 C=C(CC(=O)O)C(=O)O I106139 [1,1,0,0,0,0|1,0,1]=4 439 B8R0.23 C=C(CC(=O)O)C(=O)O I106140 [1,1,0,0,0,0|1,0,1]=4 440 B8R0.23 CC(=O)NC(=C)C(=O)O A113943 [1,1,0,0,0,0|1,0,1]=4 441 B8R0.23 CC(C(=O)C)OC(=O)C A102527 [1,1,0,0,0,0|1,0,0]=3 442 B8R0.23 CC(C(=O)Cl)OC(=O)C A151625 [1,1,0,0,0,0|2,0,0]=4 443 B8R0.23 CC(C(=O)Cl)OC(=O)C R303922 [1,1,0,0,0,0|2,0,0]=4 444 B8R0.23 CC(C(=O)O)NC(=O)C A105813 [1,1,0,0,0,0|1,0,0]=3 445 B8R0.23 CC(C(=O)O)NC(=O)C A109205 [1,1,0,0,0,0|1,0,0]=3 446 B8R0.23 CC(C(=O)O)NC(=O)C A117196 [1,1,0,0,0,0|1,0,0]=3 447 B8R0.23 CC(C(=O)O)NC(=O)C A427198 [1,1,0,0,0,0|1,0,0]=3 448 B8R0.23 CC(C(=O)O)OC(=O)C A151194 [1,1,0,0,0,0|1,0,0]=3 449 B8R0.23 CC(C(=O)O)OC(=O)C R405630 [1,1,0,0,0,0|1,0,0]=3 450 B8R0.23 CC(C(=O)O)OC(=O)C S161041 [1,1,0,0,0,0|1,0,0]=3 451 B8R0.23 CC(C(CC(=O)O)N)O H352839 [1,1,0,0,0,0|0,0,2]=4 452 B8R0.23 CC(C)C(CC(=O)O)N L102509 [1,1,0,0,0,0|1,0,1]=4 453 B8R0.23 CC(C)C(CC(=O)O)N L182849 [1,1,0,0,0,0|1,0,1]=4 454 B8R0.23 CC(C)C(CC(=O)O)N R194939 [1,1,0,0,0,0|1,0,1]=4 455 B8R0.23 CC(C)C(CC(=O)O)N S193261 [1,1,0,0,0,0|1,0,1]=4 456 B8R0.23 CC(C)CC(C(=O)O)Br B193385 [1,1,0,0,0,0|1,0,1]=4 457 B8R0.23 CC(C)CC(C(=O)O)Cl S161181 [1,1,0,0,0,0|1,0,1]=4 458 B8R0.23 CC(C)CC(C(=O)O)N L100046 [1,1,0,0,0,0|1,0,1]=4 459 B8R0.23 CC(C)CC(C(=O)O)N L104898 [1,1,0,0,0,0|1,0,1]=4 460 B8R0.23 CC(C)CC(C(=O)O)N L110997 [1,1,0,0,0,0|1,0,1]=4 461 B8R0.23 CC(C)CC(C(=O)O)N L117742 [1,1,0,0,0,0|1,0,1]=4 462 B8R0.23 CC(C)CC(C(=O)O)N L425126 [1,1,0,0,0,0|1,0,1]=4 463 B8R0.23 CC(C)CC(C(=O)O)N L433130 [1,1,0,0,0,0|1,0,1]=4 464 B8R0.23 CC(C)CC(C(=O)O)O L421425 [1,1,0,0,0,0|1,0,1]=4 465 B8R0.23 CC(C)CC(C(=O)O)O R182597 [1,1,0,0,0,0|1,0,1]=4 466 B8R0.23 CC(C)CC(C(=O)O)O S161033 [1,1,0,0,0,0|1,0,1]=4 467 B8R0.23 CC(C)CC(C(=O)O)O S161215 [1,1,0,0,0,0|1,0,1]=4 468 B8R0.23 CC(CC(=O)C)C(=O)O A151464 [1,1,0,0,0,0|0,0,0]=2 469 B8R0.23 CC(CC(=O)O)C(=O)C B152315 [1,1,0,0,0,0|0,0,0]=2 470 B8R0.23 CC(CC(=O)O)C(=O)O M101729 [1,1,0,0,0,0|1,0,0]=3 471 B8R0.23 CN(CC(=O)O)C(=O)N A344926 [1,1,0,0,0,0|2,0,0]=4 472 B8R0.23 CS(=O)CC(C(=O)O)N M106189 [1,1,0,0,0,0|1,0,0]=3 473 B8R0.29 C(CP(=O)(O)O)C(=O)O P113856 [1,1,0,0,0,0|2,0,0]=4 474 B8R0.29 CC(CCC(=O)O)(F)F D586779 [1,1,0,0,0,0|1,0,1]=4 475 B8R0.29 CP(=O)(CCC(=O)O)O M133020 [1,1,0,0,0,0|1,0,0]=3 476 B8R0.29 CS(=O)(=O)NCC(=O)O N169871 [1,1,0,0,0,0|2,0,0]=4 477 B8R0.2 CC(=O)C(C(=O)OC)Cl M135839 [0,1,0,0,1,0|0,0,0]=2 478 B8R0.2 CC(C(C(=O)OC)N)O T117005 [0,1,0,0,1,0|0,0,2]=4 479 B8R0.2 CC(C)C(C(=O)OC)N D133919 [0,1,0,0,1,0|1,0,1]=4 480 B8R0.2 CC(C)C(C(=O)OC)N V105985 [0,1,0,0,1,0|1,0,1]=4 481 B8R0.2 CC(C)C(C(=O)OC)N V117182 [0,1,0,0,1,0|1,0,1]=4 482 B8R0.16 CC(=O)CC(OC)OC D100739 [0,1,0,0,1,0|0,0,2]=4 483 B8R0.16 CC(=O)CC(OC)OC D498461 [0,1,0,0,1,0|0,0,2]=4 484 B8R0.24 COC(=O)CS(=O)(=O)C M123593 [0,1,0,0,1,0|1,0,0]=3 485 B8R0.24 COC(=O)CS(=O)(=O)Cl M589492 [0,1,0,0,1,0|2,0,0]=4 486 B8R0.24 COC(=O)C[Si](C)(C)C M342470 [0,1,0,0,1,0|1,1,0]=4 487 B8R0.34 CC(=O)CC(C)(C)OC M158819 [0,1,0,0,1,0|1,0,1]=4 488 B10R0.3 CCCC(=O)CCCC(=O)O O303557 [0,1,0,0,0,1|2,0,0]=4 489 B10R0.3 CCOC(=O)CCCC(=O)C E138206 [0,1,0,0,0,1|0,0,0]=2 490 B10R0.3 CCOC(=O)CCCC(=O)Cl E138942 [0,1,0,0,0,1|1,0,0]=3 491 B10R0.3 CCOC(=O)CCCC(=O)O M158393 [0,1,0,0,0,1|1,0,0]=3 492 B10R0.44 CC(C)CC(=O)CC(=O)OC M588645 [0,1,0,0,0,1|1,0,1]=4 493 B10R0.57 CC(=O)OCC(=C)C(=O)OC M588669 [0,1,0,0,0,1|0,0,1]=3 494 B10R0.57 CC(CSC(=O)C)C(=O)OC M158845 [0,1,0,0,0,1|0,0,0]=2 495 B10R0.57 COC(=O)C(CCC(=O)O)N G116980 [0,1,0,0,0,1|1,0,0]=3 496 B10R0.59 CC(CCOC(=O)CS)OC M158005 [0,1,0,0,0,1|1,0,1]=4 497 B10R0.59 COC(=O)CC=CC(=O)OC D170731 [0,1,0,0,0,1|0,0,1]=3 498 B10R0.59 COC(=O)CCCC(=O)OC D102756 [0,1,0,0,0,1|0,0,0]=2 499 B10R0.59 COC(=O)CNCC(=O)OC D164724 [0,1,0,0,0,1|0,0,0]=2 500 B10R0.59 COC(=O)COCC(=O)OC D350020 [0,1,0,0,0,1|0,0,0]=2 501 B10R0.59 COC(=O)CSCC(=O)OC D587476 [0,1,0,0,0,1|0,0,0]=2 502 B10R0.65 CC(=O)OCCC(C)(C)OC M157992 [0,1,0,0,0,1|1,0,1]=4 503 B10R0.82 COC(=O)CCC(C(=O)N)N S588448 [0,1,0,0,0,1|1,0,0]=3 504 B10R0.82 COC(=O)CCC(C(=O)O)N D351855 [0,1,0,0,0,1|1,0,0]=3 505 B10R0.82 COC(=O)CCC(C(=O)O)N G116984 [0,1,0,0,0,1|1,0,0]=3 506 B10R0.82 COC(=O)CCC(C(=O)O)N H194380 [0,1,0,0,0,1|1,0,0]=3 507 B10R0.109 CCOC(=O)CCC(C)(F)F E578725 [0,2,0,0,0,0|1,0,1]=4 508 B10R0.32 CCOC(=O)C(=O)CC(=O)C E136676 [0,2,0,0,0,0|0,0,1]=3 509 B10R0.32 CCOC(=O)C(CC(C)C)N L100533 [0,2,0,0,0,0|1,0,1]=4 510 B10R0.32 CCOC(=O)C(CC(C)C)O E156251 [0,2,0,0,0,0|1,0,1]=4 511 B10R0.46 CC(CC(=O)OC)C(=O)OC D167667 [0,2,0,0,0,0|0,0,0]=2 512 B10R0.46 COC(=O)CC(=C)C(=O)OC D154394 [0,2,0,0,0,0|0,0,1]=3 513 B10R0.46 COC(=O)CC(C(=O)OC)N A109002 [0,2,0,0,0,0|0,0,0]=2 514 B10R0.46 COC(=O)CC(C(=O)OC)N H194638 [0,2,0,0,0,0|0,0,0]=2 515 B10R0.46 COC(=O)CC(C(=O)OC)O D102009 [0,2,0,0,0,0|0,0,0]=2 516 B10R0.46 COC(=O)CC(C(=O)OC)O D103127 [0,2,0,0,0,0|0,0,0]=2 517 B10R0.54 CC(=O)NC(CCl)C(=O)OC M191747 [0,2,0,0,0,0|1,0,0]=3 518 B10R0.54 CC(=O)NC(CO)C(=O)OC S589424 [0,2,0,0,0,0|1,0,0]=3 519 B10R0.54 CC(=O)NC(CS)C(=O)OC N463185 [0,2,0,0,0,0|1,0,0]=3 520 B10R0.141 CC(C)(CC(=O)O)C(=O)OC C347909 [0,2,0,0,0,0|1,0,0]=3 521 B10R0.45 CCN(CC)CCC(=O)OC M404112 [0,2,0,0,0,0|2,0,0]=4 522 B10R0.108 CCOC(=O)CNC(=O)CCl I170250 [0,2,0,0,0,0|1,0,0]=3 523 B10R0.108 CCOC(=O)CNC(=O)CN G182698 [0,2,0,0,0,0|1,0,0]=3 524 B10R0.26 CCOC(=O)CC(=C)C(=O)O M158390 [0,2,0,0,0,0|1,0,1]=4 525 B10R0.78 CCCOC(=O)CCC(=O)C P404929 [0,2,0,0,0,0|0,0,0]=2 526 B10R0.96 CC(=O)CC(=O)CCC(=O)O S133736 [0,2,0,0,0,0|2,0,0]=4 527 B10R0.96 CN(C)NC(=O)CCC(=O)O D105965 [0,2,0,0,0,0|2,0,0]=4 528 B10R0.96 CN(C)NC(=O)CCC(=O)O D105966 [0,2,0,0,0,0|2,0,0]=4 529 B10R0.96 CN(C)NC(=O)CCC(=O)O D421912 [0,2,0,0,0,0|2,0,0]=4 530 B8R1.1 C=CC1COC(=O)O1 V107647 [1,0,0,1,0,0|1,0,1]=4 531 B8R1.1 COC1=CC(=O)CC1 M170478 [1,0,0,1,0,0|1,0,0]=3 532 B8R1.1 COC1=CC(=O)NC1 M194648 [1,0,0,1,0,0|2,0,0]=4 533 B8R1.3 C1C(=O)NCC(=O)N1 G156851 [1,0,0,1,0,0|2,0,0]=4 534 B8R1.3 C1C(=O)OCC(=O)O1 G156824 [1,0,0,1,0,0|1,0,0]=3 535 B8R1.3 C1CC(=O)CCC1=O C110959 [1,0,0,1,0,0|1,0,0]=3 536 B8R1.3 CC1=NNC(=O)CC1 D135167 [1,0,0,1,0,0|2,0,0]=4 537 B8R1.3 CC1CCC(=O)CC1 M106719 [1,0,0,1,0,0|1,0,1]=4 538 B8R1.3 CC1CCC(=O)CC1 M113653 [1,0,0,1,0,0|1,0,1]=4 539 B8R1.3 CN1CCC(=O)CC1 N138232 [1,0,0,1,0,0|2,0,0]=4 540 B8R1.5 CC1CCCCC1=O M100791 [1,0,0,1,0,0|1,0,1]=4 541 B8R1.5 CC1CNCCC1=O M589544 [1,0,0,1,0,0|2,0,0]=4 542 B8R1.5 CN1CCCCC1=O N335945 [1,0,0,1,0,0|1,0,1]=4 543 B8R1.22 C1CC(=O)CCNC1 H121983 [1,0,0,1,0,0|2,0,0]=4 544 B8R1.22 C1CCC(=O)NCC1 C111698 [1,0,0,1,0,0|1,0,1]=4 545 B8R1.22 C1CCC(=O)NCC1 C111700 [1,0,0,1,0,0|1,0,1]=4 546 B8R1.22 C1CCC(=O)OCC1 C109521 [1,0,0,1,0,0|0,0,1]=3 547 B8R1.22 C1CCC(=O)OCC1 C398060 [1,0,0,1,0,0|0,0,1]=3 548 B8R1.22 C1CCC(=O)OCC1 P299385 [1,0,0,1,0,0|0,0,1]=3 549 B8R1.22 C1CCC(=O)OCC1 P398622 [1,0,0,1,0,0|0,0,1]=3 550 B8R1.22 C1CCC(=O)OCC1 P478241 [1,0,0,1,0,0|0,0,1]=3 551 B8R1.22 C1CCC(=O)OCC1 P485972 [1,0,0,1,0,0|0,0,1]=3 552 B8R1.22 C1CCC(=O)OCC1 P579406 [1,0,0,1,0,0|0,0,1]=3 553 B8R1.22 C1CCCC(=O)CC1 C111127 [1,0,0,1,0,0|1,0,1]=4 554 B8R1.22 C1COCCNC1=O O189427 [1,0,0,1,0,0|2,0,0]=4 555 B8R1.38 COC(=O)C1CNC1 A132584 [1,0,0,1,0,0|1,0,0]=3 556 B8R1.50 C1CC(=O)N(C1=O)Br B105057 [1,0,0,1,0,0|2,0,0]=4 557 B8R1.50 C1CC(=O)N(C1=O)Br B105059 [1,0,0,1,0,0|2,0,0]=4 558 B8R1.50 C1CC(=O)N(C1=O)Cl C105072 [1,0,0,1,0,0|2,0,0]=4 559 B8R1.50 C1CC(=O)N(C1=O)I I107018 [1,0,0,1,0,0|2,0,0]=4 560 B8R1.50 C1CC(=O)N(C1=O)O H109330 [1,0,0,1,0,0|2,0,0]=4 561 B8R1.50 CC1=C(C(=O)CC1)Br B472647 [1,0,0,1,0,0|2,0,0]=4 562 B8R1.50 CC1=C(C(=O)CC1)O H139285 [1,0,0,1,0,0|2,0,0]=4 563 B8R1.50 CC1C(=O)CCC1=O M136868 [1,0,0,1,0,0|1,0,0]=3 564 B8R1.50 CC1CCC(=O)N1C D467310 [1,0,0,1,0,0|1,0,1]=4 565 B8R1.50 CN1C(=O)CCC1=O N159128 [1,0,0,1,0,0|1,0,0]=3 566 B8R1.4 CC1CC(=O)CCO1 M172463 [1,0,0,1,0,0|2,0,0]=4 567 B8R1.4 CC1CCCC(=O)C1 M117710 [1,0,0,1,0,0|1,0,1]=4 568 B8R1.4 CC1CCCC(=O)C1 R472235 [1,0,0,1,0,0|1,0,1]=4 569 B8R1.7 C1C=CCC1C(=O)O C153744 [1,0,0,1,0,0|2,0,0]=4 570 B8R1.7 C1COCC1C(=O)O R194491 [1,0,0,1,0,0|1,0,1]=4 571 B8R1.7 C1COCC1C(=O)O T135700 [1,0,0,1,0,0|1,0,1]=4 572 B8R1.7 CC(=O)C1CCCC1 C194132 [1,0,0,1,0,0|1,0,1]=4 573 B8R1.23 C1C(CC1=O)C(=O)O O129102 [1,0,0,1,0,0|0,0,0]=2 574 B8R1.23 C=C1CC(C1)C(=O)O M174562 [1,0,0,1,0,0|1,0,0]=3 575 B8R1.23 CN1CC(C1)C(=O)O M177850 [1,0,0,1,0,0|2,0,0]=4 576 B8R1.51 C1CS(=O)(=O)CC1=O T182043 [1,0,0,1,0,0|1,0,1]=4 577 B8R1.51 CC1(CCC(=O)C1)C D175598 [1,0,0,1,0,0|1,0,1]=4 578 B8R1.77 CC1(CC1C(=O)O)C D194933 [1,0,0,1,0,0|1,0,1]=4 579 B8R1.77 CC1(CC1C(=O)O)C S161036 [1,0,0,1,0,0|1,0,1]=4 580 B8R1.18 CC1=NN(C(=O)C1)C D105385 [0,0,0,1,1,0|2,0,0]=4 581 B8R1.18 CC1CC(=O)OC1=O M102626 [0,0,0,1,1,0|2,0,0]=4 582 B8R1.18 CN1CC(=O)NC1=O M158526 [0,0,0,1,1,0|2,0,0]=4 583 B10R1.13 C1CC(=O)CCC1C(=O)O O177831 [0,0,0,1,0,1|2,0,0]=4 584 B10R1.13 CC(=O)N1CCC(=O)CC1 A117232 [0,0,0,1,0,1|1,0,0]=3 585 B10R1.14 COC(=O)C1CC(=O)NC1 M176238 [0,0,0,1,0,1|0,0,0]=2 586 B10R1.14 COC(=O)C1CC(CN1)F M176855 [0,0,0,1,0,1|1,0,1]=4 587 B10R1.14 COC(=O)C1CC(CN1)F M578760 [0,0,0,1,0,1|1,0,1]=4 588 B10R1.14 COC(=O)C1CC(CN1)O C135503 [0,0,0,1,0,1|0,0,2]=4 589 B10R1.14 COC(=O)C1CC(CN1)O H111052 [0,0,0,1,0,1|0,0,2]=4 590 B10R1.14 COC(=O)C1CC(CN1)O R589232 [0,0,0,1,0,1|0,0,2]=4 591 B10R1.14 COC(=O)C1CCC(=O)N1 M138905 [0,0,0,1,0,1|1,0,0]=3 592 B10R1.14 COC(=O)C1CCC(=O)N1 M158587 [0,0,0,1,0,1|1,0,0]=3 593 B10R1.14 COC(=O)C1CCC(=O)N1 R194385 [0,0,0,1,0,1|1,0,0]=3 594 B10R1.14 COC(=O)C1CCC(C1)N M175133 [0,0,0,1,0,1|1,0,1]=4 595 B10R1.408 COC(=O)C1CC1C(=O)O M173371 [0,0,0,1,0,1|1,0,0]=3 596 B10R1.211 C1CC1C(=O)CCC(=O)O C170865 [0,1,0,1,0,0|2,0,0]=4 597 B10R1.64 C1CC(C(=O)C1)CC(=O)O O167346 [0,1,0,1,0,0|2,0,0]=4 598 B10R1.64 CC(=O)NC1CCOC1=O A333729 [0,1,0,1,0,0|1,0,0]=3 599 B10R1.64 CC(=O)NC1CCSC1=O A108031 [0,1,0,1,0,0|1,1,0]=4 600 B10R1.64 CC(=O)NC1CCSC1=O A151087 [0,1,0,1,0,0|1,1,0]=4 601 B10R1.113 C1CC(CC(=O)C1)C(=O)O O191300 [0,1,0,1,0,0|2,0,0]=4 602 B10R1.118 CN1CC(=O)N(CC1=O)C S358734 [0,1,0,1,0,0|2,0,0]=4 603 B10R1.140 CCOC(=O)C1CC(=O)C1 E139366 [0,1,0,1,0,0|0,0,0]=2 604 B6R0.2 C(C(=O)Cl)C(=O)Cl M104009 [1,0,0,0,1,0|2,0,0]=4 605 B6R0.2 C(C(=O)N)C(=O)N M104019 [1,0,0,0,1,0|2,0,0]=4 606 B6R0.2 C(C(=O)N)C(=O)O M168857 [1,0,0,0,1,0|1,0,0]=3 607 B6R0.2 C(C(=O)O)C(=O)O M103513 [1,0,0,0,1,0|1,0,0]=3 608 B6R0.2 C(C(=O)O)C(=O)O M103514 [1,0,0,0,1,0|1,0,0]=3 609 B6R0.2 C(C(=O)O)C(=O)O M305754 [1,0,0,0,1,0|1,0,0]=3 610 B6R0.2 C(C(=O)O)C(=O)O M421547 [1,0,0,0,1,0|1,0,0]=3 611 B6R0.2 C(C(=O)[O-])C(=O)[O-] S104172 [1,0,0,0,1,0|1,0,1]=4 612 B6R0.2 C(C(=O)[O-])C(=O)[O-] S140213 [1,0,0,0,1,0|1,0,1]=4 613 B6R0.2 CC(=C)OC(=O)C I108612 [1,0,0,0,1,0|2,0,0]=4 614 B6R0.2 CC(=CC(=O)C)C M105926 [1,0,0,0,1,0|1,0,1]=4 615 B6R0.2 CC(=CC(=O)C)C M105927 [1,0,0,0,1,0|1,0,1]=4 616 B6R0.2 CC(=CC(=O)C)C M105928 [1,0,0,0,1,0|1,0,1]=4 617 B6R0.2 CC(=CC(=O)C)N F156686 [1,0,0,0,1,0|1,0,1]=4 618 B6R0.2 CC(=CC(=O)C)O A118525 [1,0,0,0,1,0|0,0,2]=4 619 B6R0.2 CC(=CC(=O)C)O A118538 [1,0,0,0,1,0|0,0,2]=4 620 B6R0.2 CC(=CC(=O)C)O A579873 [1,0,0,0,1,0|0,0,2]=4 621 B6R0.2 CC(=CC(=O)C)O B152272 [1,0,0,0,1,0|0,0,2]=4 622 B6R0.2 CC(=CC(=O)C)O C109323 [1,0,0,0,1,0|0,0,2]=4 623 B6R0.2 CC(=CC(=O)C)O C140817 [1,0,0,0,1,0|0,0,2]=4 624 B6R0.2 CC(=CC(=O)C)O C283471 [1,0,0,0,1,0|0,0,2]=4 625 B6R0.2 CC(=CC(=O)C)O C486854 [1,0,0,0,1,0|0,0,2]=4 626 B6R0.2 CC(=CC(=O)C)O D302912 [1,0,0,0,1,0|0,0,2]=4 627 B6R0.2 CC(=CC(=O)C)O E302901 [1,0,0,0,1,0|0,0,2]=4 628 B6R0.2 CC(=CC(=O)C)O E347622 [1,0,0,0,1,0|0,0,2]=4 629 B6R0.2 CC(=CC(=O)C)O G304265 [1,0,0,0,1,0|0,0,2]=4 630 B6R0.2 CC(=CC(=O)C)O H107857 [1,0,0,0,1,0|0,0,2]=4 631 B6R0.2 CC(=CC(=O)C)O I138305 [1,0,0,0,1,0|0,0,2]=4 632 B6R0.2 CC(=CC(=O)C)O I294571 [1,0,0,0,1,0|0,0,2]=4 633 B6R0.2 CC(=CC(=O)C)O M106182 [1,0,0,0,1,0|0,0,2]=4 634 B6R0.2 CC(=CC(=O)C)O P101065 [1,0,0,0,1,0|0,0,2]=4 635 B6R0.2 CC(=CC(=O)C)O P119025 [1,0,0,0,1,0|0,0,2]=4 636 B6R0.2 CC(=CC(=O)C)O P119026 [1,0,0,0,1,0|0,0,2]=4 637 B6R0.2 CC(=CC(=O)C)O P293928 [1,0,0,0,1,0|0,0,2]=4 638 B6R0.2 CC(=CC(=O)C)O R118502 [1,0,0,0,1,0|0,0,2]=4 639 B6R0.2 CC(=CC(=O)C)O R118539 [1,0,0,0,1,0|0,0,2]=4 640 B6R0.2 CC(=CC(=O)C)O R118540 [1,0,0,0,1,0|0,0,2]=4 641 B6R0.2 CC(=CC(=O)C)O R294372 [1,0,0,0,1,0|0,0,2]=4 642 B6R0.2 CC(=CC(=O)C)O R639975 [1,0,0,0,1,0|0,0,2]=4 643 B6R0.2 CC(=CC(=O)C)O S298504 [1,0,0,0,1,0|0,0,2]=4 644 B6R0.2 CC(=CC(=O)C)O T283063 [1,0,0,0,1,0|0,0,2]=4 645 B6R0.2 CC(=CC(=O)C)O T302818 [1,0,0,0,1,0|0,0,2]=4 646 B6R0.2 CC(=CC(=O)C)O T302908 [1,0,0,0,1,0|0,0,2]=4 647 B6R0.2 CC(=CC(=O)C)O V109324 [1,0,0,0,1,0|0,0,2]=4 648 B6R0.2 CC(=CC(=O)C)O V109325 [1,0,0,0,1,0|0,0,2]=4 649 B6R0.2 CC(=CC(=O)C)O Y191992 [1,0,0,0,1,0|0,0,2]=4 650 B6R0.2 CC(=CC(=O)C)O Y283039 [1,0,0,0,1,0|0,0,2]=4 651 B6R0.2 CC(=CC(=O)C)[O-] B107855 [1,0,0,0,1,0|0,0,2]=4 652 B6R0.2 CC(=CC(=O)C)[O-] B109340 [1,0,0,0,1,0|0,0,2]=4 653 B6R0.2 CC(=CC(=O)C)[O-] B152965 [1,0,0,0,1,0|0,0,2]=4 654 B6R0.2 CC(=CC(=O)C)[O-] B283467 [1,0,0,0,1,0|0,0,2]=4 655 B6R0.2 CC(=CC(=O)C)[O-] C100527 [1,0,0,0,1,0|0,0,2]=4 656 B6R0.2 CC(=CC(=O)C)[O-] C432320 [1,0,0,0,1,0|0,0,2]=4 657 B6R0.2 CC(=CC(=O)C)[O-] H302906 [1,0,0,0,1,0|0,0,2]=4 658 B6R0.2 CC(=CC(=O)C)[O-] I106157 [1,0,0,0,1,0|0,0,2]=4 659 B6R0.2 CC(=CC(=O)C)[O-] L102502 [1,0,0,0,1,0|0,0,2]=4 660 B6R0.2 CC(=CC(=O)C)[O-] M107860 [1,0,0,0,1,0|0,0,2]=4 661 B6R0.2 CC(=CC(=O)C)[O-] N105676 [1,0,0,0,1,0|0,0,2]=4 662 B6R0.2 CC(=CC(=O)C)[O-] N107859 [1,0,0,0,1,0|0,0,2]=4 663 B6R0.2 CC(=CC(=O)C)[O-] N359157 [1,0,0,0,1,0|0,0,2]=4 664 B6R0.2 CC(=CC(=O)C)[O-] S488282 [1,0,0,0,1,0|0,0,2]=4 665 B6R0.2 CC(=CC(=O)C)[O-] T161967 [1,0,0,0,1,0|0,0,2]=4 666 B6R0.2 CC(=CC(=O)C)[O-] Z106186 [1,0,0,0,1,0|0,0,2]=4 667 B6R0.2 CC(=CC(=O)C)[O-] Z107220 [1,0,0,0,1,0|0,0,2]=4 668 B6R0.2 CC(=CC(=O)C)[O-] Z431381 [1,0,0,0,1,0|0,0,2]=4 669 B6R0.2 CC(=CC(=O)C)[O-] Z573179 [1,0,0,0,1,0|0,0,2]=4 670 B6R0.2 CC(=CC(=O)O)C D102028 [1,0,0,0,1,0|1,0,1]=4 671 B6R0.2 CC(=O)CC(=O)C A110366 [1,0,0,0,1,0|0,0,0]=2 672 B6R0.2 CC(=O)CC(=O)C A110367 [1,0,0,0,1,0|0,0,0]=2 673 B6R0.2 CC(=O)CC(=O)C A110370 [1,0,0,0,1,0|0,0,0]=2 674 B6R0.2 CC(=O)CC(=O)N A194123 [1,0,0,0,1,0|1,0,0]=3 675 B6R0.2 CC(=O)CC(=O)[O-] L102932 [1,0,0,0,1,0|0,0,1]=3 676 B6R0.2 CC(=O)CC(=O)[O-] L490061 [1,0,0,0,1,0|0,0,1]=3 677 B6R0.2 CC(=O)CN(C)C D167514 [1,0,0,0,1,0|2,0,0]=4 678 B6R0.2 CC(=O)NC(=O)N A114125 [1,0,0,0,1,0|2,0,0]=4 679 B6R0.2 CC(=O)OC(=O)C A302240 [1,0,0,0,1,0|1,0,0]=3 680 B6R0.2 CC(=O)OC(=O)C A474130 [1,0,0,0,1,0|1,0,0]=3 681 B6R0.2 CC(=O)SC(=O)C A151355 [1,0,0,0,1,0|1,0,0]=3 682 B6R0.2 CC(=O)[CH-]C(=O)C T190897 [1,0,0,0,1,0|0,0,1]=3 683 B6R0.2 CC(=O)[CH-]C(=O)C Z302876 [1,0,0,0,1,0|0,0,1]=3 684 B6R0.2 CC(=[OH+])CC(=[OH+])C L492409 [1,0,0,0,1,0|0,0,2]=4 685 B6R0.2 CC(C)CC(=O)C M108736 [1,0,0,0,1,0|1,0,1]=4 686 B6R0.2 CC(C)CC(=O)C M108737 [1,0,0,0,1,0|1,0,1]=4 687 B6R0.2 CC(C)CC(=O)C M108738 [1,0,0,0,1,0|1,0,1]=4 688 B6R0.2 CC(C)CC(=O)C M108740 [1,0,0,0,1,0|1,0,1]=4 689 B6R0.2 CC(C)CC(=O)C M108741 [1,0,0,0,1,0|1,0,1]=4 690 B6R0.2 CC(C)CC(=O)C M492092 [1,0,0,0,1,0|1,0,1]=4 691 B6R0.2 CC(C)CC(=O)O I108280 [1,0,0,0,1,0|1,0,1]=4 692 B6R0.2 CC(C)CC(=O)O I108281 [1,0,0,0,1,0|1,0,1]=4 693 B6R0.2 CC(C)CC(=O)O I424338 [1,0,0,0,1,0|1,0,1]=4 694 B6R0.2 CC(C)CC(=O)O I432771 [1,0,0,0,1,0|1,0,1]=4 695 B6R0.2 CC(CC(=O)O)Br B169132 [1,0,0,0,1,0|1,0,1]=4 696 B6R0.2 CC(CC(=O)O)Cl C153466 [1,0,0,0,1,0|1,0,1]=4 697 B6R0.2 CC(CC(=O)O)N A100948 [1,0,0,0,1,0|1,0,1]=4 698 B6R0.2 CC(CC(=O)O)N H117041 [1,0,0,0,1,0|1,0,1]=4 699 B6R0.2 CC(CC(=O)O)N R184127 [1,0,0,0,1,0|1,0,1]=4 700 B6R0.2 CC(CC(=O)O)N S193074 [1,0,0,0,1,0|1,0,1]=4 701 B6R0.2 CC(CC(=O)O)O P347707 [1,0,0,0,1,0|0,0,2]=4 702 B6R0.2 CC(CC(=O)O)O R304188 [1,0,0,0,1,0|0,0,2]=4 703 B6R0.2 CC(CC(=O)O)O R425172 [1,0,0,0,1,0|0,0,2]=4 704 B6R0.2 CC(CC(=O)O)O S161108 [1,0,0,0,1,0|0,0,2]=4 705 B6R0.2 CC(CC(=O)O)O S194215 [1,0,0,0,1,0|0,0,2]=4 706 B6R0.2 CN(C)CC(=O)O D115675 [1,0,0,0,1,0|2,0,0]=4 707 B6R0.2 CN(C)CC(=O)O N159831 [1,0,0,0,1,0|2,0,0]=4 708 B6R0.2 CN(C)CC(=O)O N420632 [1,0,0,0,1,0|2,0,0]=4 709 B6R0.3 CC(=C)C(=O)NC N159439 [0,0,0,0,2,0|2,0,0]=4 710 B6R0.3 CC(=C)C(=O)NC N563684 [0,0,0,0,2,0|2,0,0]=4 711 B6R0.3 CC(=C)C(=O)OC M109623 [0,0,0,0,2,0|1,0,0]=3 712 B6R0.3 CC(=C)C(=O)OC M109626 [0,0,0,0,2,0|1,0,0]=3 713 B6R0.3 CC(=C)C(=O)OC M109629 [0,0,0,0,2,0|1,0,0]=3 714 B6R0.3 CC(=C)C(=O)OC P141442 [0,0,0,0,2,0|1,0,0]=3 715 B6R0.3 CC(=C)C(=O)OC P141443 [0,0,0,0,2,0|1,0,0]=3 716 B6R0.3 CC(=C)C(=O)OC P141444 [0,0,0,0,2,0|1,0,0]=3 717 B6R0.3 CC(=C)C(=O)OC P434521 [0,0,0,0,2,0|1,0,0]=3 718 B6R0.3 CC(=C)C(=O)OC P434523 [0,0,0,0,2,0|1,0,0]=3 719 B6R0.3 CC(=C)C(=O)OC P434524 [0,0,0,0,2,0|1,0,0]=3 720 B6R0.3 CC(=C)C(=O)OC P478276 [0,0,0,0,2,0|1,0,0]=3 721 B6R0.3 CC(=C)C(=O)OC P598682 [0,0,0,0,2,0|1,0,0]=3 722 B6R0.3 CC(=O)C(=O)CBr B185016 [0,0,0,0,2,0|2,0,0]=4 723 B6R0.3 CC(=O)C(=O)OC M136953 [0,0,0,0,2,0|0,0,0]=2 724 B6R0.3 CC(=O)N(C)OC N159405 [0,0,0,0,2,0|2,0,0]=4 725 B6R0.3 CC(C(=O)OC)Br M117975 [0,0,0,0,2,0|1,0,1]=4 726 B6R0.3 CC(C(=O)OC)Cl M102467 [0,0,0,0,2,0|1,0,1]=4 727 B6R0.3 CC(C(=O)OC)Cl M110142 [0,0,0,0,2,0|1,0,1]=4 728 B6R0.3 CC(C(=O)OC)Cl M158574 [0,0,0,0,2,0|1,0,1]=4 729 B6R0.3 CC(C(=O)OC)N A100771 [0,0,0,0,2,0|1,0,1]=4 730 B6R0.3 CC(C(=O)OC)N A100815 [0,0,0,0,2,0|1,0,1]=4 731 B6R0.3 CC(C(=O)OC)N A116955 [0,0,0,0,2,0|1,0,1]=4 732 B6R0.3 CC(C(=O)OC)O M132799 [0,0,0,0,2,0|0,0,2]=4 733 B6R0.3 CC(C(=O)OC)O M158257 [0,0,0,0,2,0|0,0,2]=4 734 B6R0.3 CC(C(=O)OC)O M158854 [0,0,0,0,2,0|0,0,2]=4 735 B6R0.3 CC(C)C(=O)OC M100041 [0,0,0,0,2,0|1,0,1]=4 736 B6R0.3 CC=C(C)C(=O)C M158812 [0,0,0,0,2,0|2,0,0]=4 737 B6R0.3 CC=C(C)C(=O)C M401547 [0,0,0,0,2,0|2,0,0]=4 738 B6R0.3 CCC(=O)C(=O)C P106293 [0,0,0,0,2,0|1,0,0]=3 739 B6R0.3 CCC(=O)C(=O)O K106253 [0,0,0,0,2,0|2,0,0]=4 740 B6R0.3 CCC(=O)C(=O)[O-] S161412 [0,0,0,0,2,0|2,0,0]=4 741 B6R0.3 CNC(=O)C(=O)O M588605 [0,0,0,0,2,0|2,0,0]=4 742 B6R0.3 COC(=O)C(=C)Br M193464 [0,0,0,0,2,0|1,0,1]=4 743 B6R0.3 COC(=O)C(=C)Cl M158644 [0,0,0,0,2,0|1,0,1]=4 744 B6R0.3 COC(=O)C(=C)F M138536 [0,0,0,0,2,0|1,0,1]=4 745 B6R0.3 COC(=O)C(=N)N M589620 [0,0,0,0,2,0|2,0,0]=4 746 B6R0.3 COC(=O)C(=O)Cl M111140 [0,0,0,0,2,0|1,0,0]=3 747 B10R0.55 CC(=O)CCCCC(=O)OC M294064 [0,0,0,0,0,2|0,0,0]=2 748 B10R0.55 COC(=O)CCCCC(=O)Cl M169854 [0,0,0,0,0,2|1,0,0]=3 749 B10R0.55 COC(=O)CCCCC(=O)O M102995 [0,0,0,0,0,2|1,0,0]=3