0 B8R0.23 C(C(=O)C(=O)O)C(=O)O O107187 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.23 C(C(C(=O)N)N)C(=O)O D182538 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.23 C(C(C(=O)O)Br)C(=O)O B106958 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.23 C(C(C(=O)O)N)C(=O)N A105949 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.23 C(C(C(=O)O)N)C(=O)N A108223 [0,0,0,0,0,0|0,0,0]=0 5 B8R0.23 C(C(C(=O)O)N)C(=O)N A108224 [0,0,0,0,0,0|0,0,0]=0 6 B8R0.23 C(C(C(=O)O)N)C(=O)N A110994 [0,0,0,0,0,0|0,0,0]=0 7 B8R0.23 C(C(C(=O)O)N)C(=O)N A117781 [0,0,0,0,0,0|0,0,0]=0 8 B8R0.23 C(C(C(=O)O)N)C(=O)N A119452 [0,0,0,0,0,0|0,0,0]=0 9 B8R0.23 C(C(C(=O)O)N)C(=O)N D121586 [0,0,0,0,0,0|0,0,0]=0 10 B8R0.23 C(C(C(=O)O)N)C(=O)N L424868 [0,0,0,0,0,0|0,0,0]=0 11 B8R0.23 C(C(C(=O)O)N)C(=O)N L425606 [0,0,0,0,0,0|0,0,0]=0 12 B8R0.23 C(C(C(=O)O)N)C(=O)N L478521 [0,0,0,0,0,0|0,0,0]=0 13 B8R0.23 C(C(C(=O)O)N)C(=O)O A105951 [0,0,0,0,0,0|1,0,0]=1 14 B8R0.23 C(C(C(=O)O)N)C(=O)O A108708 [0,0,0,0,0,0|1,0,0]=1 15 B8R0.23 C(C(C(=O)O)N)C(=O)O A108860 [0,0,0,0,0,0|1,0,0]=1 16 B8R0.23 C(C(C(=O)O)N)C(=O)O A108861 [0,0,0,0,0,0|1,0,0]=1 17 B8R0.23 C(C(C(=O)O)N)C(=O)O A117776 [0,0,0,0,0,0|1,0,0]=1 18 B8R0.23 C(C(C(=O)O)N)C(=O)O A117777 [0,0,0,0,0,0|1,0,0]=1 19 B8R0.23 C(C(C(=O)O)N)C(=O)O A137730 [0,0,0,0,0,0|1,0,0]=1 20 B8R0.23 C(C(C(=O)O)N)C(=O)O A304400 [0,0,0,0,0,0|1,0,0]=1 21 B8R0.23 C(C(C(=O)O)N)C(=O)O L274318 [0,0,0,0,0,0|1,0,0]=1 22 B8R0.23 C(C(C(=O)O)N)C(=O)O L424798 [0,0,0,0,0,0|1,0,0]=1 23 B8R0.23 C(C(C(=O)O)N)C(=O)O L471827 [0,0,0,0,0,0|1,0,0]=1 24 B8R0.23 C(C(C(=O)O)N)C(=O)O L475308 [0,0,0,0,0,0|1,0,0]=1 25 B8R0.23 C(C(C(=O)O)N)C(=O)O L476204 [0,0,0,0,0,0|1,0,0]=1 26 B8R0.23 C(C(C(=O)O)N)C(=O)O M132322 [0,0,0,0,0,0|1,0,0]=1 27 B8R0.23 C(C(C(=O)O)N)C(=O)O P303238 [0,0,0,0,0,0|1,0,0]=1 28 B8R0.23 C(C(C(=O)O)N)C(=O)O S432943 [0,0,0,0,0,0|1,0,0]=1 29 B8R0.23 C(C(C(=O)O)N)C(=O)[O-] L182670 [0,0,0,0,0,0|1,0,0]=1 30 B8R0.23 C(C(C(=O)O)N)S(=O)O L288573 [0,0,0,0,0,0|2,0,0]=2 31 B8R0.23 C(C(C(=O)O)O)C(=O)O D425543 [0,0,0,0,0,0|2,0,0]=2 32 B8R0.23 C(C(C(=O)O)O)C(=O)O D433328 [0,0,0,0,0,0|2,0,0]=2 33 B8R0.23 C(C(C(=O)O)O)C(=O)O L427197 [0,0,0,0,0,0|2,0,0]=2 34 B8R0.23 C(C(C(=O)O)O)C(=O)O M101126 [0,0,0,0,0,0|2,0,0]=2 35 B8R0.23 C(C(C(=O)O)O)C(=O)O M105695 [0,0,0,0,0,0|2,0,0]=2 36 B8R0.23 C(C(C(=O)O)O)C(=O)O M105696 [0,0,0,0,0,0|2,0,0]=2 37 B8R0.23 C(C(C(=O)O)O)C(=O)O M109342 [0,0,0,0,0,0|2,0,0]=2 38 B8R0.23 C(C(C(=O)O)O)C(=O)O M119455 [0,0,0,0,0,0|2,0,0]=2 39 B8R0.23 C(C(C(=O)O)O)C(=O)O P160725 [0,0,0,0,0,0|2,0,0]=2 40 B8R0.23 C(C(C(=O)O)S)C(=O)O M109507 [0,0,0,0,0,0|2,0,0]=2 41 B8R0.23 C(C(C(=O)[O-])N)C(=O)O D465226 [0,0,0,0,0,0|1,0,1]=2 42 B8R0.23 C(C(C(=O)[O-])N)C(=O)O L193085 [0,0,0,0,0,0|1,0,1]=2 43 B8R0.23 C(C(C(=O)[O-])N)C(=O)O L465034 [0,0,0,0,0,0|1,0,1]=2 44 B8R0.23 C(C(C(=O)[O-])N)C(=O)O P160327 [0,0,0,0,0,0|1,0,1]=2 45 B8R0.23 C(C(C(=O)[O-])N)C(=O)O S169558 [0,0,0,0,0,0|1,0,1]=2 46 B8R0.23 C(C(C(=O)[O-])N)C(=O)[O-] D351328 [0,0,0,0,0,0|1,0,1]=2 47 B8R0.23 C(C(C(=O)[O-])N)C(=O)[O-] S193941 [0,0,0,0,0,0|1,0,1]=2 48 B8R0.23 C(C(C(=O)[O-])O)C(=O)[O-] C305183 [0,0,0,0,0,0|2,0,1]=3 49 B8R0.23 C(C(C(=O)[O-])O)C(=O)[O-] D154290 [0,0,0,0,0,0|2,0,1]=3 50 B8R0.23 C(C(C(=O)[O-])O)C(=O)[O-] D302750 [0,0,0,0,0,0|2,0,1]=3 51 B8R0.23 C(C(C(=O)[O-])O)C(=O)[O-] L332299 [0,0,0,0,0,0|2,0,1]=3 52 B8R0.23 C=C(CC(=O)O)C(=O)O I106139 [0,0,0,0,0,0|2,0,1]=3 53 B8R0.23 C=C(CC(=O)O)C(=O)O I106140 [0,0,0,0,0,0|2,0,1]=3 54 B8R0.23 CC(=CC(=O)O)C(=O)O C153469 [0,0,0,0,0,0|2,0,2]=4 55 B8R0.23 CC(=CC(=O)O)C(=O)O C424293 [0,0,0,0,0,0|2,0,2]=4 56 B8R0.23 CC(=CC(=O)O)C(=O)O M158069 [0,0,0,0,0,0|2,0,2]=4 57 B8R0.23 CC(=O)NC(=C)C(=O)O A113943 [0,0,0,0,0,0|3,0,1]=4 58 B8R0.23 CC(C(=O)C)OC(=O)C A102527 [0,0,0,0,0,0|4,0,0]=4 59 B8R0.23 CC(C(=O)Cl)OC(=O)C A151625 [0,0,0,0,0,0|4,0,0]=4 60 B8R0.23 CC(C(=O)Cl)OC(=O)C R303922 [0,0,0,0,0,0|4,0,0]=4 61 B8R0.23 CC(C(=O)O)NC(=O)C A105813 [0,0,0,0,0,0|3,0,0]=3 62 B8R0.23 CC(C(=O)O)NC(=O)C A109205 [0,0,0,0,0,0|3,0,0]=3 63 B8R0.23 CC(C(=O)O)NC(=O)C A117196 [0,0,0,0,0,0|3,0,0]=3 64 B8R0.23 CC(C(=O)O)NC(=O)C A427198 [0,0,0,0,0,0|3,0,0]=3 65 B8R0.23 CC(C(=O)O)OC(=O)C A151194 [0,0,0,0,0,0|3,0,0]=3 66 B8R0.23 CC(C(=O)O)OC(=O)C R405630 [0,0,0,0,0,0|3,0,0]=3 67 B8R0.23 CC(C(=O)O)OC(=O)C S161041 [0,0,0,0,0,0|3,0,0]=3 68 B8R0.23 CC(C(CC(=O)O)N)O H352839 [0,0,0,0,0,0|2,0,1]=3 69 B8R0.23 CC(C)C(CC(=O)O)N L102509 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.23 CC(C)C(CC(=O)O)N L182849 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.23 CC(C)C(CC(=O)O)N R194939 [0,0,0,0,0,0|3,0,1]=4 72 B8R0.23 CC(C)C(CC(=O)O)N S193261 [0,0,0,0,0,0|3,0,1]=4 73 B8R0.23 CC(C)CC(C(=O)N)N H299483 [0,0,0,0,0,0|3,0,1]=4 74 B8R0.23 CC(C)CC(C(=O)N)N S161269 [0,0,0,0,0,0|3,0,1]=4 75 B8R0.23 CC(C)CC(C(=O)N)N S165636 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.23 CC(C)CC(C(=O)O)Br B193385 [0,0,0,0,0,0|3,0,1]=4 77 B8R0.23 CC(C)CC(C(=O)O)Cl S161181 [0,0,0,0,0,0|3,0,1]=4 78 B8R0.23 CC(C)CC(C(=O)O)N L100046 [0,0,0,0,0,0|2,0,1]=3 79 B8R0.23 CC(C)CC(C(=O)O)N L104898 [0,0,0,0,0,0|2,0,1]=3 80 B8R0.23 CC(C)CC(C(=O)O)N L110997 [0,0,0,0,0,0|2,0,1]=3 81 B8R0.23 CC(C)CC(C(=O)O)N L117742 [0,0,0,0,0,0|2,0,1]=3 82 B8R0.23 CC(C)CC(C(=O)O)N L425126 [0,0,0,0,0,0|2,0,1]=3 83 B8R0.23 CC(C)CC(C(=O)O)N L433130 [0,0,0,0,0,0|2,0,1]=3 84 B8R0.23 CC(C)CC(C(=O)O)O L421425 [0,0,0,0,0,0|3,0,1]=4 85 B8R0.23 CC(C)CC(C(=O)O)O R182597 [0,0,0,0,0,0|3,0,1]=4 86 B8R0.23 CC(C)CC(C(=O)O)O S161033 [0,0,0,0,0,0|3,0,1]=4 87 B8R0.23 CC(C)CC(C(=O)O)O S161215 [0,0,0,0,0,0|3,0,1]=4 88 B8R0.23 CC(CC(=O)C)C(=O)O A151464 [0,0,0,0,0,0|2,0,0]=2 89 B8R0.23 CC(CC(=O)O)C(=O)C B152315 [0,0,0,0,0,0|3,0,0]=3 90 B8R0.23 CC(CC(=O)O)C(=O)O M101729 [0,0,0,0,0,0|2,0,0]=2 91 B8R0.23 CN(CC(=O)O)C(=O)N A344926 [0,0,0,0,0,0|4,0,0]=4 92 B8R0.23 CS(=O)CC(C(=O)O)N M106189 [0,0,0,0,0,0|2,0,0]=2 93 B7R0.2 C(C(CO)N)C(=O)O H353181 [1,0,0,0,0,0|1,0,1]=3 94 B7R0.2 C(C(CO)N)C(=O)O S191379 [1,0,0,0,0,0|1,0,1]=3 95 B7R0.2 CCC(CC(=O)O)N A191758 [1,0,0,0,0,0|2,0,1]=4 96 B7R0.2 CCC(CC(=O)O)N I167296 [1,0,0,0,0,0|2,0,1]=4 97 B7R0.5 C#CCC(C(=O)O)N D133969 [1,0,0,0,0,0|1,0,1]=3 98 B7R0.5 C#CCC(C(=O)O)N R192202 [1,0,0,0,0,0|1,0,1]=3 99 B7R0.5 C#CCC(C(=O)O)N R304808 [1,0,0,0,0,0|1,0,1]=3 100 B7R0.5 C#CCC(C(=O)O)N S168837 [1,0,0,0,0,0|1,0,1]=3 101 B7R0.5 C(CBr)C(C(=O)O)N A101191 [1,0,0,0,0,0|1,0,1]=3 102 B7R0.5 C(CN)C(C(=O)O)N D102446 [1,0,0,0,0,0|0,0,1]=2 103 B7R0.5 C(CN)C(C(=O)O)N D113499 [1,0,0,0,0,0|0,0,1]=2 104 B7R0.5 C(CN)C(C(=O)O)N D117019 [1,0,0,0,0,0|0,0,1]=2 105 B7R0.5 C(CN)C(C(=O)O)O H181248 [1,0,0,0,0,0|1,0,1]=3 106 B7R0.5 C(CN)C(C(=O)O)O S161042 [1,0,0,0,0,0|1,0,1]=3 107 B7R0.5 C(CO)C(C(=O)O)N H100541 [1,0,0,0,0,0|0,0,2]=3 108 B7R0.5 C(CO)C(C(=O)O)N H101557 [1,0,0,0,0,0|0,0,2]=3 109 B7R0.5 C(CO)C(C(=O)O)N H105430 [1,0,0,0,0,0|0,0,2]=3 110 B7R0.5 C(CO)C(C(=O)O)N L425384 [1,0,0,0,0,0|0,0,2]=3 111 B7R0.5 C(CS)C(C(=O)O)N H106297 [1,0,0,0,0,0|0,1,1]=3 112 B7R0.5 C(CS)C(C(=O)O)N L134501 [1,0,0,0,0,0|0,1,1]=3 113 B7R0.5 C=CCC(C(=O)O)N A115225 [1,0,0,0,0,0|1,0,0]=2 114 B7R0.5 C=CCC(C(=O)O)N D101189 [1,0,0,0,0,0|1,0,0]=2 115 B7R0.5 C=CCC(C(=O)O)N D107871 [1,0,0,0,0,0|1,0,0]=2 116 B7R0.5 C=CCC(C(=O)O)N S101123 [1,0,0,0,0,0|1,0,0]=2 117 B7R0.5 C=CCC(C(=O)O)N S161223 [1,0,0,0,0,0|1,0,0]=2 118 B7R0.5 CC(C(=O)O)NC=O N159048 [1,0,0,0,0,0|2,0,0]=3 119 B7R0.5 CC(CC=C)C(=O)O M111848 [1,0,0,0,0,0|2,0,0]=3 120 B7R0.5 CCCC(C(=O)O)Br B152768 [1,0,0,0,0,0|2,0,1]=4 121 B7R0.5 CCCC(C(=O)O)N N100542 [1,0,0,0,0,0|1,0,1]=3 122 B7R0.5 CCCC(C(=O)O)N N106191 [1,0,0,0,0,0|1,0,1]=3 123 B7R0.5 CCCC(C(=O)O)N N106215 [1,0,0,0,0,0|1,0,1]=3 124 B7R0.5 CCCC(C(=O)O)O S193305 [1,0,0,0,0,0|2,0,1]=4 125 B7R0.5 CCCC(C)C(=O)O B300596 [1,0,0,0,0,0|2,0,1]=4 126 B7R0.5 CCCC(C)C(=O)O M117868 [1,0,0,0,0,0|2,0,1]=4 127 B7R0.5 CCCC(C)C(=O)O M427193 [1,0,0,0,0,0|2,0,1]=4 128 B7R0.5 CNCC(C(=O)O)N S132658 [1,0,0,0,0,0|2,0,0]=3 129 B7R0.5 COCC(C(=O)O)Cl C133763 [1,0,0,0,0,0|3,0,0]=4 130 B7R0.5 COCC(C(=O)O)N S135785 [1,0,0,0,0,0|2,0,0]=3 131 B7R0.5 CSCC(C(=O)O)N M116973 [1,0,0,0,0,0|2,0,0]=3 132 B7R0.5 C[Se]CC(C(=O)O)N S161277 [1,0,0,0,0,0|2,0,0]=3 133 B7R0.6 C(#CC(=O)O)C(=O)O A113362 [1,0,0,0,0,0|1,0,2]=4 134 B7R0.6 C(=CC(=O)N)C(=O)N F156723 [1,0,0,0,0,0|1,0,2]=4 135 B7R0.6 C(=CC(=O)N)C(=O)N M278875 [1,0,0,0,0,0|1,0,2]=4 136 B7R0.6 C(=CC(=O)O)C(=O)N M158400 [1,0,0,0,0,0|0,0,2]=3 137 B7R0.6 C(=CC(=O)O)C(=O)O A100862 [1,0,0,0,0,0|1,0,2]=4 138 B7R0.6 C(=CC(=O)O)C(=O)O F110741 [1,0,0,0,0,0|1,0,2]=4 139 B7R0.6 C(=CC(=O)O)C(=O)O F110742 [1,0,0,0,0,0|1,0,2]=4 140 B7R0.6 C(=CC(=O)O)C(=O)O F118459 [1,0,0,0,0,0|1,0,2]=4 141 B7R0.6 C(=CC(=O)O)C(=O)O F336547 [1,0,0,0,0,0|1,0,2]=4 142 B7R0.6 C(=CC(=O)O)C(=O)O F420591 [1,0,0,0,0,0|1,0,2]=4 143 B7R0.6 C(=CC(=O)O)C(=O)O F471975 [1,0,0,0,0,0|1,0,2]=4 144 B7R0.6 C(=CC(=O)O)C(=O)O M108864 [1,0,0,0,0,0|1,0,2]=4 145 B7R0.6 C(=CC(=O)O)C(=O)O M108865 [1,0,0,0,0,0|1,0,2]=4 146 B7R0.6 C(=CC(=O)O)C(=O)O M108866 [1,0,0,0,0,0|1,0,2]=4 147 B7R0.6 C(=CC(=O)O)C(=O)O M420590 [1,0,0,0,0,0|1,0,2]=4 148 B7R0.6 C(=CC(=O)O)C(=O)O P100894 [1,0,0,0,0,0|1,0,2]=4 149 B7R0.6 C(=CC(=O)O)C(=O)O P192380 [1,0,0,0,0,0|1,0,2]=4 150 B7R0.6 C(=CC(=O)[O-])C(=O)O M158061 [1,0,0,0,0,0|1,0,2]=4 151 B7R0.6 C(=O)(N)NNC(=O)N B165906 [1,0,0,0,0,0|3,0,0]=4 152 B7R0.6 C(C(=O)O)N=C(N)N G156848 [1,0,0,0,0,0|2,0,0]=3 153 B7R0.6 C(C(=O)O)NC(=O)N H157226 [1,0,0,0,0,0|1,0,0]=2 154 B7R0.6 C(C(=O)O)SC(=N)N S303941 [1,0,0,0,0,0|2,0,0]=3 155 B7R0.6 C(CC(=O)Cl)C(=O)Cl S108669 [1,0,0,0,0,0|2,0,0]=3 156 B7R0.6 C(CC(=O)N)C(=O)N S161127 [1,0,0,0,0,0|1,0,0]=2 157 B7R0.6 C(CC(=O)O)C(=O)O P111885 [1,0,0,0,0,0|1,0,0]=2 158 B7R0.6 C(CC(=O)O)C(=O)O S108852 [1,0,0,0,0,0|1,0,0]=2 159 B7R0.6 C(CC(=O)O)C(=O)O S108853 [1,0,0,0,0,0|1,0,0]=2 160 B7R0.6 C(CC(=O)O)C(=O)O S108854 [1,0,0,0,0,0|1,0,0]=2 161 B7R0.6 C(CC(=O)O)C(=O)O S108855 [1,0,0,0,0,0|1,0,0]=2 162 B7R0.6 C(CC(=O)O)C(=O)O S108856 [1,0,0,0,0,0|1,0,0]=2 163 B7R0.6 C(CC(=O)O)C(=O)O S303059 [1,0,0,0,0,0|1,0,0]=2 164 B7R0.6 C(CC(=O)O)C(=O)O S346179 [1,0,0,0,0,0|1,0,0]=2 165 B7R0.6 C(CC(=O)O)C(=O)O S420589 [1,0,0,0,0,0|1,0,0]=2 166 B7R0.6 C(CC(=O)O)C(=O)O S431423 [1,0,0,0,0,0|1,0,0]=2 167 B7R0.6 C(CC(=O)O)C(=O)O S431424 [1,0,0,0,0,0|1,0,0]=2 168 B7R0.6 C(CC(=O)O)C(=O)O S472090 [1,0,0,0,0,0|1,0,0]=2 169 B7R0.6 C(CC(=O)[O-])C(=O)O M158056 [1,0,0,0,0,0|1,0,0]=2 170 B7R0.6 C(CC(=O)[O-])C(=O)[O-] A112576 [1,0,0,0,0,0|1,0,1]=3 171 B7R0.6 C(CC(=O)[O-])C(=O)[O-] A406520 [1,0,0,0,0,0|1,0,1]=3 172 B7R0.6 C(CC(=O)[O-])C(=O)[O-] D154287 [1,0,0,0,0,0|1,0,1]=3 173 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S112882 [1,0,0,0,0,0|1,0,1]=3 174 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S299565 [1,0,0,0,0,0|1,0,1]=3 175 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S299566 [1,0,0,0,0,0|1,0,1]=3 176 B7R0.6 C(CC(=O)[O-])C(=O)[O-] S421786 [1,0,0,0,0,0|1,0,1]=3 177 B7R0.6 C(C[N+](=O)[O-])C(=O)O N106587 [1,0,0,0,0,0|2,0,0]=3 178 B7R0.6 CC(=O)CCC(=O)C H106697 [1,0,0,0,0,0|2,0,0]=3 179 B7R0.6 CC(=O)CCC(=O)C H106698 [1,0,0,0,0,0|2,0,0]=3 180 B7R0.6 CC(=O)CCC(=O)C H106699 [1,0,0,0,0,0|2,0,0]=3 181 B7R0.6 CC(=O)CCC(=O)O L104281 [1,0,0,0,0,0|1,0,0]=2 182 B7R0.6 CC(=O)CCC(=O)O L278641 [1,0,0,0,0,0|1,0,0]=2 183 B7R0.6 CC(=O)CCC(=O)O L298748 [1,0,0,0,0,0|1,0,0]=2 184 B7R0.6 CC(=O)CCC(=O)O L421026 [1,0,0,0,0,0|1,0,0]=2 185 B7R0.6 CC(=O)COC(=O)C A151657 [1,0,0,0,0,0|3,0,0]=4 186 B7R0.6 CC(=O)NCC(=O)O A103973 [1,0,0,0,0,0|2,0,0]=3 187 B7R0.6 CC(=O)OCC(=O)Cl A100732 [1,0,0,0,0,0|3,0,0]=4 188 B7R0.6 CC(=O)OCC(=O)O A167143 [1,0,0,0,0,0|2,0,0]=3 189 B7R0.6 CC(=O)SCC(=O)O S131714 [1,0,0,0,0,0|2,0,0]=3 190 B7R0.6 CC(=S)NCC(=O)O N159832 [1,0,0,0,0,0|2,1,0]=4 191 B7R0.6 CC(C)CCC(=O)O M117869 [1,0,0,0,0,0|2,0,1]=4 192 B7R0.6 CN(C)CCC(=O)O D132248 [1,0,0,0,0,0|3,0,0]=4 193 B7R0.6 C[S+](C)CCC(=O)O C153876 [1,0,0,0,0,0|3,0,0]=4 194 B9R0.11 CC(C)(CC(=O)O)C(=O)O D107306 [0,1,0,0,0,0|2,0,0]=3 195 B9R0.11 CC(C)CC(C)(C(=O)O)N H352866 [0,1,0,0,0,0|2,0,1]=4 196 B9R0.11 CC(CC(=O)[O-])(C(=O)[O-])O P464056 [0,1,0,0,0,0|2,0,1]=4 197 B9R0.23 CC(=O)CC(=O)C(=O)OC M132958 [0,1,0,0,0,0|2,0,1]=4 198 B9R0.23 CC(C(=O)OC)NC(=O)C M157975 [0,1,0,0,0,0|3,0,0]=4 199 B9R0.23 CC(C)CC(C(=O)OC)N L109004 [0,1,0,0,0,0|2,0,1]=4 200 B9R0.23 CC(C)CC(C(=O)OC)N L113357 [0,1,0,0,0,0|2,0,1]=4 201 B9R0.23 COC(=O)C(CC(=O)O)N A116967 [0,1,0,0,0,0|1,0,0]=2 202 B9R0.23 COC(=O)C(CC(=O)O)N D351608 [0,1,0,0,0,0|1,0,0]=2 203 B9R0.23 COC(=O)C(CC(=O)O)N H185839 [0,1,0,0,0,0|1,0,0]=2 204 B9R0.39 CC(=O)NC(CO)C(=O)O N181909 [0,1,0,0,0,0|3,0,0]=4 205 B9R0.39 CC(=O)NC(CS)C(=O)O A105420 [0,1,0,0,0,0|3,0,0]=4 206 B9R0.39 CC(=O)NC(CS)C(=O)O A105421 [0,1,0,0,0,0|3,0,0]=4 207 B9R0.39 CC(=O)NC(CS)C(=O)O A105422 [0,1,0,0,0,0|3,0,0]=4 208 B9R0.39 CC(=O)NC(CS)C(=O)O S588470 [0,1,0,0,0,0|3,0,0]=4 209 B9R0.39 CC(=O)NC(CS)C(O)=O A408248 [0,1,0,0,0,0|3,0,0]=4 210 B9R0.39 CC(C)CC(C(=O)O)NC B300148 [0,1,0,0,0,0|2,0,1]=4 211 B9R0.39 CC(C)CC(C(=O)O)NC D303245 [0,1,0,0,0,0|2,0,1]=4 212 B9R0.39 CC(C)CC(C(=O)O)NC N137172 [0,1,0,0,0,0|2,0,1]=4 213 B9R0.39 CC(C)CC(C(=O)O)NC N185919 [0,1,0,0,0,0|2,0,1]=4 214 B9R0.39 CCC(C(=O)O)NC(=O)C N159750 [0,1,0,0,0,0|3,0,0]=4 215 B9R0.39 CNC(CC(=O)O)C(=O)O N129532 [0,1,0,0,0,0|1,0,0]=2 216 B9R0.39 CNC(CC(=O)O)C(=O)O N131805 [0,1,0,0,0,0|1,0,0]=2 217 B9R0.39 CNC(CC(=O)O)C(=O)O N276566 [0,1,0,0,0,0|1,0,0]=2 218 B9R0.39 CNC(CC(=O)O)C(=O)O N338153 [0,1,0,0,0,0|1,0,0]=2 219 B9R0.39 CNC(CC(O)=O)C(O)=O N407747 [0,1,0,0,0,0|1,0,0]=2 220 B9R0.42 CC(C(=O)N)NC(=O)CN G355814 [0,1,0,0,0,0|3,0,0]=4 221 B9R0.42 CC(C(=O)O)NC(=O)CCl N159049 [0,1,0,0,0,0|3,0,0]=4 222 B9R0.42 CC(C(=O)O)NC(=O)CN G355788 [0,1,0,0,0,0|2,0,0]=3 223 B9R0.42 CC(C(=O)O)NC(=O)CN G355807 [0,1,0,0,0,0|2,0,0]=3 224 B9R0.42 CC(C(=O)O)NC(=O)CN G465688 [0,1,0,0,0,0|2,0,0]=3 225 B9R0.42 COC(=O)CC(=C)C(=O)O M158383 [0,1,0,0,0,0|2,0,1]=4 226 B9R0.42 COC(=O)CC(=C)C(=O)O M298585 [0,1,0,0,0,0|2,0,1]=4 227 B9R0.42 COC(=O)CC(C(=O)O)N A100440 [0,1,0,0,0,0|1,0,0]=2 228 B9R0.42 COC(=O)CC(C(=O)O)N L591069 [0,1,0,0,0,0|1,0,0]=2 229 B9R0.57 C(C(C(=O)O)N)C(F)(F)F A151473 [0,1,0,0,0,0|2,0,1]=4 230 B9R0.57 C(C(C(=O)O)N)P(=O)(O)O D286664 [0,1,0,0,0,0|2,0,0]=3 231 B9R0.57 C(C(C(=O)O)N)S(=O)(=O)O S161224 [0,1,0,0,0,0|2,0,0]=3 232 B9R0.57 C(C(C(=O)O)N)S(=O)(=O)O S168870 [0,1,0,0,0,0|2,0,0]=3 233 B9R0.57 CC(C)(C)CC(C(=O)O)N H187615 [0,1,0,0,0,0|2,0,1]=4 234 B9R0.57 CC(C)(C)CC(C(=O)O)N S136939 [0,1,0,0,0,0|2,0,1]=4 235 B9R0.79 C(C(C(=O)O)Br)(C(=O)O)Br D106725 [0,1,0,0,0,0|2,0,0]=3 236 B9R0.79 C(C(C(=O)O)Br)(C(=O)O)Br D170796 [0,1,0,0,0,0|2,0,0]=3 237 B9R0.79 C(C(C(=O)O)O)(C(=O)O)N H157320 [0,1,0,0,0,0|1,0,0]=2 238 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O D115662 [0,1,0,0,0,0|2,0,0]=3 239 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O D134225 [0,1,0,0,0,0|2,0,0]=3 240 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O D421263 [0,1,0,0,0,0|2,0,0]=3 241 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O D421725 [0,1,0,0,0,0|2,0,0]=3 242 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O L426628 [0,1,0,0,0,0|2,0,0]=3 243 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O M158070 [0,1,0,0,0,0|2,0,0]=3 244 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O S115663 [0,1,0,0,0,0|2,0,0]=3 245 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T104048 [0,1,0,0,0,0|2,0,0]=3 246 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T107139 [0,1,0,0,0,0|2,0,0]=3 247 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T107140 [0,1,0,0,0,0|2,0,0]=3 248 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T112459 [0,1,0,0,0,0|2,0,0]=3 249 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T112460 [0,1,0,0,0,0|2,0,0]=3 250 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T112462 [0,1,0,0,0,0|2,0,0]=3 251 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T128785 [0,1,0,0,0,0|2,0,0]=3 252 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T291742 [0,1,0,0,0,0|2,0,0]=3 253 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T291743 [0,1,0,0,0,0|2,0,0]=3 254 B9R0.79 C(C(C(=O)O)O)(C(=O)O)O T291770 [0,1,0,0,0,0|2,0,0]=3 255 B9R0.79 C(C(C(=O)O)S)(C(=O)O)S D107254 [0,1,0,0,0,0|2,0,0]=3 256 B9R0.79 C(C(C(=O)O)S)(C(=O)O)S D303164 [0,1,0,0,0,0|2,0,0]=3 257 B9R0.79 C(C(C(=O)O)S)(C(=O)O)S M423151 [0,1,0,0,0,0|2,0,0]=3 258 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O A112564 [0,1,0,0,0,0|2,0,0]=3 259 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O C113873 [0,1,0,0,0,0|2,0,0]=3 260 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O C301989 [0,1,0,0,0,0|2,0,0]=3 261 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O C426624 [0,1,0,0,0,0|2,0,0]=3 262 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O P101331 [0,1,0,0,0,0|2,0,0]=3 263 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O P299369 [0,1,0,0,0,0|2,0,0]=3 264 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O P358957 [0,1,0,0,0,0|2,0,0]=3 265 B9R0.79 C(C(C(=O)[O-])O)(C(=O)O)O S298746 [0,1,0,0,0,0|2,0,0]=3 266 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O A103700 [0,1,0,0,0,0|2,0,1]=4 267 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O C110533 [0,1,0,0,0,0|2,0,1]=4 268 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O C110534 [0,1,0,0,0,0|2,0,1]=4 269 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O D433096 [0,1,0,0,0,0|2,0,1]=4 270 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O F332028 [0,1,0,0,0,0|2,0,1]=4 271 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O L109091 [0,1,0,0,0,0|2,0,1]=4 272 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O L303402 [0,1,0,0,0,0|2,0,1]=4 273 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O P112433 [0,1,0,0,0,0|2,0,1]=4 274 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O P112435 [0,1,0,0,0,0|2,0,1]=4 275 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O P112611 [0,1,0,0,0,0|2,0,1]=4 276 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O P112616 [0,1,0,0,0,0|2,0,1]=4 277 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O P112617 [0,1,0,0,0,0|2,0,1]=4 278 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O P196337 [0,1,0,0,0,0|2,0,1]=4 279 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O P298754 [0,1,0,0,0,0|2,0,1]=4 280 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O P433187 [0,1,0,0,0,0|2,0,1]=4 281 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O P639655 [0,1,0,0,0,0|2,0,1]=4 282 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O S111691 [0,1,0,0,0,0|2,0,1]=4 283 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O S111693 [0,1,0,0,0,0|2,0,1]=4 284 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O S304799 [0,1,0,0,0,0|2,0,1]=4 285 B9R0.79 C(C(C(=O)[O-])O)(C(=O)[O-])O S397539 [0,1,0,0,0,0|2,0,1]=4 286 B9R0.79 CC(C(C(=O)O)N)C(=O)O D137663 [0,1,0,0,0,0|1,0,0]=2 287 B9R0.79 CC(C(C)C(=O)O)C(=O)O D167070 [0,1,0,0,0,0|2,0,0]=3 288 B9R0.79 CC(C(C)C(=O)O)C(=O)O M344284 [0,1,0,0,0,0|2,0,0]=3 289 B9R0.79 CC(C(C)O)C(C(=O)O)N H102974 [0,1,0,0,0,0|1,0,2]=4 290 B9R0.79 CC(C(C)O)C(C(=O)O)N H134438 [0,1,0,0,0,0|1,0,2]=4 291 B9R0.79 CC(C)C(C(C(=O)O)N)O A114504 [0,1,0,0,0,0|2,0,1]=4 292 B9R1.35 C1(=NC(=NN1)N)C(=O)O A151263 [0,0,0,1,0,0|2,0,1]=4 293 B9R1.35 C1(=NC(=NN1)N)C(=O)O A169427 [0,0,0,1,0,0|2,0,1]=4 294 B9R1.35 C1=C(NC(=O)N1)C(=O)O D138792 [0,0,0,1,0,0|2,0,1]=4 295 B9R1.35 C1C(C=CC1N)C(=O)O S181238 [0,0,0,1,0,0|2,0,1]=4 296 B9R1.35 C1C(CNC1=O)C(=O)O O177293 [0,0,0,1,0,0|1,0,0]=2 297 B9R1.35 C1C(CNC1C(=O)O)F S171572 [0,0,0,1,0,0|2,0,1]=4 298 B9R1.35 C1C(CNC1C(=O)O)F S183102 [0,0,0,1,0,0|2,0,1]=4 299 B9R1.35 C1C(CNC1C(=O)O)F T162045 [0,0,0,1,0,0|2,0,1]=4 300 B9R1.35 C1C(CNC1C(=O)O)O C177424 [0,0,0,1,0,0|1,0,2]=4 301 B9R1.35 C1C(CNC1C(=O)O)O C422902 [0,0,0,1,0,0|1,0,2]=4 302 B9R1.35 C1C(CNC1C(=O)O)O H110730 [0,0,0,1,0,0|1,0,2]=4 303 B9R1.35 C1C(CNC1C(=O)O)O H111005 [0,0,0,1,0,0|1,0,2]=4 304 B9R1.35 C1C(CNC1C(=O)O)O I132870 [0,0,0,1,0,0|1,0,2]=4 305 B9R1.35 C1C(CNC1C(=O)O)O I134121 [0,0,0,1,0,0|1,0,2]=4 306 B9R1.35 C1C(CNC1C(=O)O)O R174124 [0,0,0,1,0,0|1,0,2]=4 307 B9R1.35 C1C(CNC1C(=O)O)O T424412 [0,0,0,1,0,0|1,0,2]=4 308 B9R1.35 C1C(CNC1C(=O)O)O T485298 [0,0,0,1,0,0|1,0,2]=4 309 B9R1.35 C1C(NC(=O)S1)C(=O)O S161109 [0,0,0,1,0,0|3,0,0]=4 310 B9R1.35 C1CC(=O)CC1C(=O)O S177273 [0,0,0,1,0,0|2,0,0]=3 311 B9R1.35 C1CC(=O)NC1C(=O)O H427210 [0,0,0,1,0,0|3,0,0]=4 312 B9R1.35 C1CC(=O)NC1C(=O)O P106003 [0,0,0,1,0,0|3,0,0]=4 313 B9R1.35 C1CC(=O)NC1C(=O)O P106004 [0,0,0,1,0,0|3,0,0]=4 314 B9R1.35 C1CC(=O)NC1C(=O)O P106190 [0,0,0,1,0,0|3,0,0]=4 315 B9R1.35 C1CC(=O)NC1C(=O)O P106219 [0,0,0,1,0,0|3,0,0]=4 316 B9R1.35 C1CC(=O)OC1C(=O)O O589119 [0,0,0,1,0,0|3,0,0]=4 317 B9R1.35 C1CC(=O)OC1C(=O)O R160887 [0,0,0,1,0,0|3,0,0]=4 318 B9R1.35 C1CC(=O)OC1C(=O)O S161230 [0,0,0,1,0,0|3,0,0]=4 319 B9R1.35 C1CC(CC1C(=O)O)N A187884 [0,0,0,1,0,0|2,0,1]=4 320 B9R1.112 C1CC1CC(C(=O)O)N C117163 [0,0,0,1,0,0|2,0,1]=4 321 B9R1.112 C1CC1CC(C(=O)O)N C117208 [0,0,0,1,0,0|2,0,1]=4 322 B9R1.161 C1(C(O1)C(=O)O)C(=O)O C153802 [0,0,0,1,0,0|2,0,0]=3 323 B9R1.161 C1(C(O1)C(=O)O)C(=O)O P160610 [0,0,0,1,0,0|2,0,0]=3 324 B9R1.161 C1C(C1C(=O)O)C(=O)O C332473 [0,0,0,1,0,0|2,0,0]=3 325 B7R0.16 C(C(=O)N)(C(=O)N)N A185601 [0,0,0,0,1,0|1,0,0]=2 326 B7R0.16 C(C(=O)O)(C(=O)O)N A179126 [0,0,0,0,1,0|1,0,0]=2 327 B7R0.16 C(C(=O)O)(C(=O)O)O T137374 [0,0,0,0,1,0|2,0,0]=3 328 B7R0.16 CC(=O)C(C(=O)C)Cl C153944 [0,0,0,0,1,0|3,0,0]=4 329 B7R0.16 CC(C(=O)O)C(=O)O M158074 [0,0,0,0,1,0|2,0,0]=3 330 B7R0.16 CC(C(C(=O)N)N)O S303459 [0,0,0,0,1,0|1,0,1]=3 331 B7R0.16 CC(C(C(=O)O)N)O L425658 [0,0,0,0,1,0|1,0,2]=4 332 B7R0.16 CC(C(C(=O)O)N)O L471819 [0,0,0,0,1,0|1,0,2]=4 333 B7R0.16 CC(C(C(=O)O)N)O S138236 [0,0,0,0,1,0|1,0,2]=4 334 B7R0.16 CC(C(C(=O)O)N)O S161020 [0,0,0,0,1,0|1,0,2]=4 335 B7R0.16 CC(C(C(=O)O)N)O T100459 [0,0,0,0,1,0|1,0,2]=4 336 B7R0.16 CC(C(C(=O)O)N)O T100954 [0,0,0,0,1,0|1,0,2]=4 337 B7R0.16 CC(C(C(=O)O)N)O T108221 [0,0,0,0,1,0|1,0,2]=4 338 B7R0.16 CC(C(C(=O)O)N)O T108222 [0,0,0,0,1,0|1,0,2]=4 339 B7R0.16 CC(C(C(=O)O)N)O T114829 [0,0,0,0,1,0|1,0,2]=4 340 B7R0.16 CC(C)C(C(=O)N)N S132765 [0,0,0,0,1,0|2,0,1]=4 341 B7R0.16 CC(C)C(C(=O)N)N V117016 [0,0,0,0,1,0|2,0,1]=4 342 B7R0.16 CC(C)C(C(=O)O)N L358417 [0,0,0,0,1,0|2,0,1]=4 343 B7R0.16 CC(C)C(C(=O)O)N L425655 [0,0,0,0,1,0|2,0,1]=4 344 B7R0.16 CC(C)C(C(=O)O)N V101067 [0,0,0,0,1,0|2,0,1]=4 345 B7R0.16 CC(C)C(C(=O)O)N V103487 [0,0,0,0,1,0|2,0,1]=4 346 B7R0.16 CC(C)C(C(=O)O)N V104896 [0,0,0,0,1,0|2,0,1]=4 347 B7R0.16 CC(C)C(C(=O)O)N V139523 [0,0,0,0,1,0|2,0,1]=4 348 B9R0.7 C(C(=O)O)NC(=O)C(=O)O N341017 [0,0,0,0,0,1|2,0,1]=4 349 B9R0.7 C(C(C(=O)O)N)NC(=O)N L344148 [0,0,0,0,0,1|0,0,0]=1 350 B9R0.7 C(CC(=O)N)C(C(=O)N)N L355054 [0,0,0,0,0,1|1,0,0]=2 351 B9R0.7 C(CC(=O)N)C(C(=O)O)N D107632 [0,0,0,0,0,1|0,0,0]=1 352 B9R0.7 C(CC(=O)N)C(C(=O)O)N D424964 [0,0,0,0,0,1|0,0,0]=1 353 B9R0.7 C(CC(=O)N)C(C(=O)O)N D425535 [0,0,0,0,0,1|0,0,0]=1 354 B9R0.7 C(CC(=O)N)C(C(=O)O)N G105425 [0,0,0,0,0,1|0,0,0]=1 355 B9R0.7 C(CC(=O)N)C(C(=O)O)N L424801 [0,0,0,0,0,1|0,0,0]=1 356 B9R0.7 C(CC(=O)N)C(C(=O)O)N L432948 [0,0,0,0,0,1|0,0,0]=1 357 B9R0.7 C(CC(=O)N)C(C(=O)O)N L471811 [0,0,0,0,0,1|0,0,0]=1 358 B9R0.7 C(CC(=O)N)C(C(=O)O)N S161022 [0,0,0,0,0,1|0,0,0]=1 359 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K105570 [0,0,0,0,0,1|2,0,1]=4 360 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K105571 [0,0,0,0,0,1|2,0,1]=4 361 B9R0.7 C(CC(=O)O)C(=O)C(=O)O K423350 [0,0,0,0,0,1|2,0,1]=4 362 B9R0.7 C(CC(=O)O)C(C(=O)O)N A590090 [0,0,0,0,0,1|1,0,0]=2 363 B9R0.7 C(CC(=O)O)C(C(=O)O)N G100444 [0,0,0,0,0,1|1,0,0]=2 364 B9R0.7 C(CC(=O)O)C(C(=O)O)N G103978 [0,0,0,0,0,1|1,0,0]=2 365 B9R0.7 C(CC(=O)O)C(C(=O)O)N G103979 [0,0,0,0,0,1|1,0,0]=2 366 B9R0.7 C(CC(=O)O)C(C(=O)O)N G107510 [0,0,0,0,0,1|1,0,0]=2 367 B9R0.7 C(CC(=O)O)C(C(=O)O)N G111546 [0,0,0,0,0,1|1,0,0]=2 368 B9R0.7 C(CC(=O)O)C(C(=O)O)N G111548 [0,0,0,0,0,1|1,0,0]=2 369 B9R0.7 C(CC(=O)O)C(C(=O)O)N G113196 [0,0,0,0,0,1|1,0,0]=2 370 B9R0.7 C(CC(=O)O)C(C(=O)O)N G117739 [0,0,0,0,0,1|1,0,0]=2 371 B9R0.7 C(CC(=O)O)C(C(=O)O)N G301751 [0,0,0,0,0,1|1,0,0]=2 372 B9R0.7 C(CC(=O)O)C(C(=O)O)N L424802 [0,0,0,0,0,1|1,0,0]=2 373 B9R0.7 C(CC(=O)O)C(C(=O)O)N P420080 [0,0,0,0,0,1|1,0,0]=2 374 B9R0.7 C(CC(=O)O)C(C(=O)O)N S161021 [0,0,0,0,0,1|1,0,0]=2 375 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N L355121 [0,0,0,0,0,1|1,0,0]=2 376 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N L478518 [0,0,0,0,0,1|1,0,0]=2 377 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N S108801 [0,0,0,0,0,1|1,0,0]=2 378 B9R0.7 C(CC(=O)[O-])C(C(=O)O)N S108802 [0,0,0,0,0,1|1,0,0]=2 379 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])N L465222 [0,0,0,0,0,1|1,0,1]=3 380 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O D420421 [0,0,0,0,0,1|2,0,1]=4 381 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O S135663 [0,0,0,0,0,1|2,0,1]=4 382 B9R0.7 C(CC(=O)[O-])C(C(=O)[O-])O S137414 [0,0,0,0,0,1|2,0,1]=4 383 B9R0.7 CC(=O)OCC(C(=O)O)N O159915 [0,0,0,0,0,1|1,0,0]=2 384 B9R0.7 CC(=O)OCC(C(=O)O)N O303851 [0,0,0,0,0,1|1,0,0]=2 385 B9R0.7 CC(CCC(=O)O)C(=O)O M136432 [0,0,0,0,0,1|2,0,0]=3 386 B9R0.7 CS(=O)CCC(C(=O)O)N L134616 [0,0,0,0,0,1|2,0,0]=3 387 B9R0.7 CS(=O)CCC(C(=O)O)N S161195 [0,0,0,0,0,1|2,0,0]=3 388 B9R0.7 C[S+](C)CCC(C(=O)O)N L354322 [0,0,0,0,0,1|3,0,0]=4 389 B9R0.7 C[S+](C)CCC(C(=O)O)N S161187 [0,0,0,0,0,1|3,0,0]=4 390 B9R0.53 C(C(=O)CC(=O)O)C(=O)O A106799 [0,0,0,0,0,1|2,0,1]=4 391 B9R0.53 C(C(=O)CC(=O)O)C(=O)O A424629 [0,0,0,0,0,1|2,0,1]=4 392 B9R0.53 C(C(CC(=O)O)N)C(=O)O A191855 [0,0,0,0,0,1|1,0,0]=2 393 B9R0.53 C(C(CC(=O)O)N)C(=O)O G404504 [0,0,0,0,0,1|1,0,0]=2 394 B9R0.53 CC(C)CC(CC(=O)O)N D404546 [0,0,0,0,0,1|2,0,1]=4 395 B9R0.53 CC(C)CC(CC(=O)O)N H117054 [0,0,0,0,0,1|2,0,1]=4 396 B9R0.53 CC(CC(=O)O)CC(=O)O M158378 [0,0,0,0,0,1|2,0,0]=3 397 B9R0.53 CC(CC(=O)O)CC(=O)O M425178 [0,0,0,0,0,1|2,0,0]=3 398 B9R0.53 CN(CC(=O)O)CC(=O)O M129189 [0,0,0,0,0,1|3,0,0]=4 399 B6R0.2 C(=O)(N)NC(=O)N B111665 [2,0,0,0,0,0|1,0,1]=4 400 B6R0.2 C(=O)(N)NC(=O)N B111666 [2,0,0,0,0,0|1,0,1]=4 401 B6R0.2 C(=O)(N)NC(=O)N B196397 [2,0,0,0,0,0|1,0,1]=4 402 B6R0.2 C(C(=N)N)C(=O)N A136566 [2,0,0,0,0,0|1,0,1]=4 403 B6R0.2 C(C(=O)N)C(=O)N M104019 [2,0,0,0,0,0|0,0,1]=3 404 B6R0.2 C(C(=O)N)C(=O)O M168857 [2,0,0,0,0,0|1,0,1]=4 405 B6R0.2 CC(=O)CC(=O)N A194123 [2,0,0,0,0,0|1,0,1]=4 406 B6R0.2 CC(CC(=O)O)N A100948 [2,0,0,0,0,0|1,0,1]=4 407 B6R0.2 CC(CC(=O)O)N H117041 [2,0,0,0,0,0|1,0,1]=4 408 B6R0.2 CC(CC(=O)O)N R184127 [2,0,0,0,0,0|1,0,1]=4 409 B6R0.2 CC(CC(=O)O)N S193074 [2,0,0,0,0,0|1,0,1]=4 410 B6R0.2 CC(CC(=O)O)O P347707 [2,0,0,0,0,0|2,0,0]=4 411 B6R0.2 CC(CC(=O)O)O R304188 [2,0,0,0,0,0|2,0,0]=4 412 B6R0.2 CC(CC(=O)O)O R425172 [2,0,0,0,0,0|2,0,0]=4 413 B6R0.2 CC(CC(=O)O)O S161108 [2,0,0,0,0,0|2,0,0]=4 414 B6R0.2 CC(CC(=O)O)O S194215 [2,0,0,0,0,0|2,0,0]=4 415 B6R0.2 CC(CC(=O)[O-])O B301134 [2,0,0,0,0,0|2,0,0]=4 416 B6R0.2 CC(CC(=O)[O-])O H121822 [2,0,0,0,0,0|2,0,0]=4 417 B6R0.2 CC(CC(=O)[O-])O X131756 [2,0,0,0,0,0|2,0,0]=4 418 B6R0.4 C#CCCC(=O)O P133515 [2,0,0,0,0,0|1,0,1]=4 419 B6R0.4 C(C(=O)O)NC=O N159822 [2,0,0,0,0,0|1,0,0]=3 420 B6R0.4 C(CC(=O)N)CCl C168978 [2,0,0,0,0,0|1,0,1]=4 421 B6R0.4 C(CC(=O)O)C#N C191241 [2,0,0,0,0,0|0,0,2]=4 422 B6R0.4 C(CC(=O)O)CBr B106907 [2,0,0,0,0,0|1,0,1]=4 423 B6R0.4 C(CC(=O)O)CCl C134513 [2,0,0,0,0,0|1,0,1]=4 424 B6R0.4 C(CC(=O)O)CN A104200 [2,0,0,0,0,0|0,0,1]=3 425 B6R0.4 C(CC(=O)O)CN A293557 [2,0,0,0,0,0|0,0,1]=3 426 B6R0.4 C(CC(=O)O)CN A424756 [2,0,0,0,0,0|0,0,1]=3 427 B6R0.4 C(CC(=O)O)CN A468499 [2,0,0,0,0,0|0,0,1]=3 428 B6R0.4 C(CC(=O)O)CN A472038 [2,0,0,0,0,0|0,0,1]=3 429 B6R0.4 C(CC(=O)O)CN G276591 [2,0,0,0,0,0|0,0,1]=3 430 B6R0.4 C(CN)C[P+](=O)O A275461 [2,0,0,0,0,0|1,0,1]=4 431 B6R0.4 C(CO)NC(=O)N H136122 [2,0,0,0,0,0|1,0,1]=4 432 B6R0.4 C=CCCC(=O)Cl P278805 [2,0,0,0,0,0|2,0,0]=4 433 B6R0.4 C=CCCC(=O)O P160582 [2,0,0,0,0,0|1,0,0]=3 434 B6R0.4 C=CCNC(=O)N A151231 [2,0,0,0,0,0|2,0,0]=4 435 B6R0.4 C=CCOC(=O)N A467193 [2,0,0,0,0,0|2,0,0]=4 436 B6R0.4 CC(=O)CCC=C H113634 [2,0,0,0,0,0|2,0,0]=4 437 B6R0.4 CC=CCC(=O)O P165142 [2,0,0,0,0,0|1,0,1]=4 438 B6R0.4 CCCCC(=O)N V162967 [2,0,0,0,0,0|1,0,1]=4 439 B6R0.4 CCCCC(=O)O V108269 [2,0,0,0,0,0|1,0,1]=4 440 B6R0.4 CCCCC(=O)O V108270 [2,0,0,0,0,0|1,0,1]=4 441 B6R0.4 CCCCC(=O)O V108271 [2,0,0,0,0,0|1,0,1]=4 442 B6R0.4 CCCCC(=O)O V108272 [2,0,0,0,0,0|1,0,1]=4 443 B6R0.4 CCCCC(=O)O V302252 [2,0,0,0,0,0|1,0,1]=4 444 B6R0.4 CNCCC(=O)O M183299 [2,0,0,0,0,0|2,0,0]=4 445 B6R0.4 COCCC(=O)O M169065 [2,0,0,0,0,0|2,0,0]=4 446 B6R0.4 CSCCC(=O)O M158072 [2,0,0,0,0,0|2,0,0]=4 447 B6R0.3 C(C(C(=O)N)N)O S134102 [2,0,0,0,0,0|1,0,1]=4 448 B6R0.3 C(C(C(=O)O)Br)Br D155446 [2,0,0,0,0,0|2,0,0]=4 449 B6R0.3 C(C(C(=O)O)N)Cl C153754 [2,0,0,0,0,0|1,0,0]=3 450 B6R0.3 C(C(C(=O)O)N)Cl C341469 [2,0,0,0,0,0|1,0,0]=3 451 B6R0.3 C(C(C(=O)O)N)N D102444 [2,0,0,0,0,0|0,0,0]=2 452 B6R0.3 C(C(C(=O)O)N)N D102445 [2,0,0,0,0,0|0,0,0]=2 453 B6R0.3 C(C(C(=O)O)N)N O105987 [2,0,0,0,0,0|0,0,0]=2 454 B6R0.3 C(C(C(=O)O)N)N S161147 [2,0,0,0,0,0|0,0,0]=2 455 B6R0.3 C(C(C(=O)O)N)O D423121 [2,0,0,0,0,0|0,0,1]=3 456 B6R0.3 C(C(C(=O)O)N)O D423225 [2,0,0,0,0,0|0,0,1]=3 457 B6R0.3 C(C(C(=O)O)N)O L424779 [2,0,0,0,0,0|0,0,1]=3 458 B6R0.3 C(C(C(=O)O)N)O L476400 [2,0,0,0,0,0|0,0,1]=3 459 B6R0.3 C(C(C(=O)O)N)O S103483 [2,0,0,0,0,0|0,0,1]=3 460 B6R0.3 C(C(C(=O)O)N)O S105977 [2,0,0,0,0,0|0,0,1]=3 461 B6R0.3 C(C(C(=O)O)N)O S108219 [2,0,0,0,0,0|0,0,1]=3 462 B6R0.3 C(C(C(=O)O)N)O S118658 [2,0,0,0,0,0|0,0,1]=3 463 B6R0.3 C(C(C(=O)O)N)O S137887 [2,0,0,0,0,0|0,0,1]=3 464 B6R0.3 C(C(C(=O)O)N)O S137888 [2,0,0,0,0,0|0,0,1]=3 465 B6R0.3 C(C(C(=O)O)N)O S432938 [2,0,0,0,0,0|0,0,1]=3 466 B6R0.3 C(C(C(=O)O)N)S C108237 [2,0,0,0,0,0|0,1,0]=3 467 B6R0.3 C(C(C(=O)O)N)S C108238 [2,0,0,0,0,0|0,1,0]=3 468 B6R0.3 C(C(C(=O)O)N)S C110184 [2,0,0,0,0,0|0,1,0]=3 469 B6R0.3 C(C(C(=O)O)N)S C110436 [2,0,0,0,0,0|0,1,0]=3 470 B6R0.3 C(C(C(=O)O)N)S C110437 [2,0,0,0,0,0|0,1,0]=3 471 B6R0.3 C(C(C(=O)O)N)S C113143 [2,0,0,0,0,0|0,1,0]=3 472 B6R0.3 C(C(C(=O)O)N)S C118575 [2,0,0,0,0,0|0,1,0]=3 473 B6R0.3 C(C(C(=O)O)N)S D304972 [2,0,0,0,0,0|0,1,0]=3 474 B6R0.3 C(C(C(=O)O)N)S L424532 [2,0,0,0,0,0|0,1,0]=3 475 B6R0.3 C(C(C(=O)O)N)S L424534 [2,0,0,0,0,0|0,1,0]=3 476 B6R0.3 C(C(C(=O)O)N)S L432833 [2,0,0,0,0,0|0,1,0]=3 477 B6R0.3 C(C(C(=O)O)N)S S161428 [2,0,0,0,0,0|0,1,0]=3 478 B6R0.3 C(C(C(=O)O)N)S S588042 [2,0,0,0,0,0|0,1,0]=3 479 B6R0.3 C(C(C(=O)O)O)N I123583 [2,0,0,0,0,0|1,0,0]=3 480 B6R0.3 C(C(C(=O)O)O)N S137278 [2,0,0,0,0,0|1,0,0]=3 481 B6R0.3 C(C(C(=O)O)O)O D278734 [2,0,0,0,0,0|1,0,1]=4 482 B6R0.3 CC(C=C)C(=O)O M404731 [2,0,0,0,0,0|1,0,1]=4 483 B6R0.3 CC(CBr)C(=O)O B135992 [2,0,0,0,0,0|2,0,0]=4 484 B6R0.3 CC(CN)C(=O)O D131745 [2,0,0,0,0,0|1,0,0]=3 485 B6R0.3 CC(CN)C(=O)O R340811 [2,0,0,0,0,0|1,0,0]=3 486 B6R0.3 CC(CN)C(=O)O S340803 [2,0,0,0,0,0|1,0,0]=3 487 B6R0.3 CC(CO)C(=O)O R343446 [2,0,0,0,0,0|1,0,1]=4 488 B6R0.3 CC(CS)C(=O)O M158216 [2,0,0,0,0,0|1,1,0]=4 489 B6R0.3 CCC(C(=O)N)N A119770 [2,0,0,0,0,0|1,0,1]=4 490 B6R0.3 CCC(C(=O)N)N A124384 [2,0,0,0,0,0|1,0,1]=4 491 B6R0.3 CCC(C(=O)O)Br B108037 [2,0,0,0,0,0|1,0,1]=4 492 B6R0.3 CCC(C(=O)O)Cl C153465 [2,0,0,0,0,0|1,0,1]=4 493 B6R0.3 CCC(C(=O)O)Cl S161173 [2,0,0,0,0,0|1,0,1]=4 494 B6R0.3 CCC(C(=O)O)N A109788 [2,0,0,0,0,0|0,0,1]=3 495 B6R0.3 CCC(C(=O)O)N A111241 [2,0,0,0,0,0|0,0,1]=3 496 B6R0.3 CCC(C(=O)O)N A111260 [2,0,0,0,0,0|0,0,1]=3 497 B6R0.3 CCC(C(=O)O)N A414642 [2,0,0,0,0,0|0,0,1]=3 498 B6R0.3 CCC(C(=O)O)N D422924 [2,0,0,0,0,0|0,0,1]=3 499 B6R0.3 CCC(C(=O)O)O D298806 [2,0,0,0,0,0|1,0,1]=4 500 B6R0.3 CCC(C(=O)O)O S192800 [2,0,0,0,0,0|1,0,1]=4 501 B6R0.3 CCC(C)C(=O)O I167890 [2,0,0,0,0,0|1,0,1]=4 502 B6R0.3 CCC(C)C(=O)O M107377 [2,0,0,0,0,0|1,0,1]=4 503 B6R0.3 [13CH2]([C@@H]([13C](=O)O)[15NH2])O L471826 [2,0,0,0,0,0|0,0,1]=3 504 B8R0.3 CCCC(C(=O)NO)N B300173 [1,1,0,0,0,0|1,0,1]=4 505 B8R0.8 C(C(C(=O)O)N)N=[N+]=[N-] A463358 [1,1,0,0,0,0|1,0,1]=4 506 B8R0.8 C(CC(C(=O)O)N)CN L350090 [1,1,0,0,0,0|0,0,1]=3 507 B8R0.8 C(CC(C(=O)O)N)CN L413185 [1,1,0,0,0,0|0,0,1]=3 508 B8R0.8 C(CC(C(=O)O)N)CN L423300 [1,1,0,0,0,0|0,0,1]=3 509 B8R0.8 C(CC(C(=O)O)N)CN L425600 [1,1,0,0,0,0|0,0,1]=3 510 B8R0.8 C(CC(C(=O)O)N)CN L432617 [1,1,0,0,0,0|0,0,1]=3 511 B8R0.8 C(CC(C(=O)O)N)CN O101048 [1,1,0,0,0,0|0,0,1]=3 512 B8R0.8 C(CC(C(=O)O)N)CN O108803 [1,1,0,0,0,0|0,0,1]=3 513 B8R0.8 C(CC(C(=O)O)N)CN S161189 [1,1,0,0,0,0|0,0,1]=3 514 B8R0.8 C(CC(C(=O)O)N)CN S161190 [1,1,0,0,0,0|0,0,1]=3 515 B8R0.8 C(CC(C(=O)O)N)CN S589622 [1,1,0,0,0,0|0,0,1]=3 516 B8R0.8 CCCCC(C(=O)O)N L485252 [1,1,0,0,0,0|1,0,1]=4 517 B8R0.8 CCCCC(C(=O)O)N N105991 [1,1,0,0,0,0|1,0,1]=4 518 B8R0.8 CCCCC(C(=O)O)N N109230 [1,1,0,0,0,0|1,0,1]=4 519 B8R0.8 CCCCC(C(=O)O)N S136235 [1,1,0,0,0,0|1,0,1]=4 520 B8R0.8 CSCCC(C(=O)O)N D423548 [1,1,0,0,0,0|0,1,1]=4 521 B8R0.8 CSCCC(C(=O)O)N D424961 [1,1,0,0,0,0|0,1,1]=4 522 B8R0.8 CSCCC(C(=O)O)N L133003 [1,1,0,0,0,0|0,1,1]=4 523 B8R0.8 CSCCC(C(=O)O)N L425234 [1,1,0,0,0,0|0,1,1]=4 524 B8R0.8 CSCCC(C(=O)O)N M101130 [1,1,0,0,0,0|0,1,1]=4 525 B8R0.8 CSCCC(C(=O)O)N M101131 [1,1,0,0,0,0|0,1,1]=4 526 B8R0.8 CSCCC(C(=O)O)N M104886 [1,1,0,0,0,0|0,1,1]=4 527 B8R0.8 CSCCC(C(=O)O)N M109223 [1,1,0,0,0,0|0,1,1]=4 528 B8R0.8 C[Se]CCC(C(=O)O)N L423306 [1,1,0,0,0,0|0,1,1]=4 529 B8R0.8 C[Se]CCC(C(=O)O)N S130045 [1,1,0,0,0,0|0,1,1]=4 530 B8R0.8 C[Se]CCC(C(=O)O)N S161192 [1,1,0,0,0,0|0,1,1]=4 531 B8R0.12 CC(C)(CC=C)C(=O)O W132414 [1,1,0,0,0,0|2,0,0]=4 532 B8R0.12 CC(CC=C)(C(=O)O)N R465192 [1,1,0,0,0,0|1,0,0]=3 533 B8R0.9 C(C(=O)NCC(=O)O)N D302344 [1,1,0,0,0,0|1,0,0]=3 534 B8R0.9 C(C(=O)NCC(=O)O)N G105429 [1,1,0,0,0,0|1,0,0]=3 535 B8R0.9 C(C(=O)NCC(=O)O)N G119491 [1,1,0,0,0,0|1,0,0]=3 536 B8R0.9 C(C(=O)NCC(=O)O)N G119492 [1,1,0,0,0,0|1,0,0]=3 537 B8R0.9 C(C(=O)NCC(=O)O)N G424736 [1,1,0,0,0,0|1,0,0]=3 538 B8R0.9 C(C(=O)O)NC(=O)CCl N159827 [1,1,0,0,0,0|2,0,0]=4 539 B8R0.9 C(CC(=O)O)C(=O)CN A107209 [1,1,0,0,0,0|0,0,0]=2 540 B8R0.9 C=CC(=O)NCC(=O)N N588400 [1,1,0,0,0,0|2,0,0]=4 541 B8R0.9 C=CC(=O)NCC(=O)O A352738 [1,1,0,0,0,0|2,0,0]=4 542 B8R0.9 C=CC(CCC(=O)O)N V136673 [1,1,0,0,0,0|1,0,1]=4 543 B8R0.9 CC(=O)CCC(=O)OC M157990 [1,1,0,0,0,0|1,0,0]=3 544 B8R0.9 CC(=O)CCC(=O)OC N196982 [1,1,0,0,0,0|1,0,0]=3 545 B8R0.9 CC(=O)NCC(=O)NC A342681 [1,1,0,0,0,0|2,0,0]=4 546 B8R0.9 CCC(=O)CCC(=O)O O165944 [1,1,0,0,0,0|1,0,0]=3 547 B8R0.9 CNC(=O)C=CC(=O)O N159546 [1,1,0,0,0,0|0,0,2]=4 548 B8R0.9 COC(=O)CCC(=O)Cl M132641 [1,1,0,0,0,0|1,0,0]=3 549 B8R0.9 COC(=O)CCC(=O)N M158316 [1,1,0,0,0,0|0,0,0]=2 550 B8R0.9 COC(=O)CCC(=O)O M102991 [1,1,0,0,0,0|1,0,0]=3 551 B8R0.9 COC(=O)CCS(=O)[O-] S139412 [1,1,0,0,0,0|2,0,0]=4 552 B8R0.9 NCC(=O)CCC(O)=O A409271 [1,1,0,0,0,0|0,0,0]=2 553 B8R0.29 C(CP(=O)(O)O)C(=O)O P113856 [1,1,0,0,0,0|2,0,0]=4 554 B8R0.29 CP(=O)(CCC(=O)O)O M133020 [1,1,0,0,0,0|2,0,0]=4 555 B8R0.18 CCC(C(=O)O)C(=O)O E156173 [0,1,0,0,1,0|2,0,0]=4 556 B8R0.37 CC(C)(C(=O)O)C(=O)O D139051 [0,1,0,0,1,0|2,0,0]=4 557 B10R0.43 C(CC(C(=O)O)(F)F)C(=O)O D193098 [0,1,0,0,0,1|2,0,0]=4 558 B10R0.43 CC(C)(CCC(=O)O)C(=O)O D102790 [0,1,0,0,0,1|2,0,0]=4 559 B10R0.57 CC(CSC(=O)C)C(=O)OC M158845 [0,1,0,0,0,1|2,0,0]=4 560 B10R0.57 COC(=O)C(CCC(=O)O)N G116980 [0,1,0,0,0,1|1,0,0]=3 561 B10R0.82 C(CC(=O)NO)C(C(=O)O)N L302676 [0,1,0,0,0,1|0,0,0]=2 562 B10R0.82 C(CC(C(=O)O)N)C(CN)O H112850 [0,1,0,0,0,1|0,0,2]=4 563 B10R0.82 COC(=O)CCC(C(=O)N)N S588448 [0,1,0,0,0,1|2,0,0]=4 564 B10R0.82 COC(=O)CCC(C(=O)O)N D351855 [0,1,0,0,0,1|1,0,0]=3 565 B10R0.82 COC(=O)CCC(C(=O)O)N G116984 [0,1,0,0,0,1|1,0,0]=3 566 B10R0.82 COC(=O)CCC(C(=O)O)N H194380 [0,1,0,0,0,1|1,0,0]=3 567 B10R0.84 CNC(CCC(=O)O)C(=O)O B301363 [0,1,0,0,0,1|1,0,0]=3 568 B10R0.84 CNC(CCC(=O)O)C(=O)O M140199 [0,1,0,0,0,1|1,0,0]=3 569 B10R0.92 C(C(C(=O)O)N)OP(=O)(O)O L423858 [0,1,0,0,0,1|2,0,0]=4 570 B10R0.92 C(C(C(=O)O)N)OP(=O)(O)O O350832 [0,1,0,0,0,1|2,0,0]=4 571 B10R0.92 C(C(C(=O)O)N)OP(=O)(O)O S161191 [0,1,0,0,0,1|2,0,0]=4 572 B10R0.92 C(C(C(=O)O)N)SS(=O)(=O)O L465016 [0,1,0,0,0,1|2,0,0]=4 573 B10R0.92 C(CP(=O)(O)O)C(C(=O)O)N D287137 [0,1,0,0,0,1|2,0,0]=4 574 B10R0.92 C(CP(=O)(O)O)C(C(=O)O)N L274683 [0,1,0,0,0,1|2,0,0]=4 575 B10R0.92 C(CP(=O)(O)O)C(C(=O)O)N x168370 [0,1,0,0,0,1|2,0,0]=4 576 B10R0.92 C(CS(=O)(=O)O)C(C(=O)O)N L486721 [0,1,0,0,0,1|2,0,0]=4 577 B10R0.92 C(CS(=O)(=O)O)C(C(=O)O)N S135161 [0,1,0,0,0,1|2,0,0]=4 578 B10R0.92 CP(=O)(CCC(C(=O)O)N)O G114499 [0,1,0,0,0,1|2,0,0]=4 579 B10R0.92 CS(=N)(=O)CCC(C(=O)O)N M111096 [0,1,0,0,0,1|1,0,1]=4 580 B10R0.92 CS(=O)(=O)CCC(C(=O)O)N L487257 [0,1,0,0,0,1|2,0,0]=4 581 B10R0.92 CS(=O)(=O)CCC(C(=O)O)N S161196 [0,1,0,0,0,1|2,0,0]=4 582 B10R0.93 C(C(C(=O)O)N)C(C(=O)O)O R465245 [0,1,0,0,0,1|1,0,0]=3 583 B10R0.93 CC(CC(C(=O)O)N)C(=O)O S288041 [0,1,0,0,0,1|1,0,0]=3 584 B10R0.165 CC(C)(CC(=O)O)CC(=O)O D138897 [0,1,0,0,0,1|2,0,0]=4 585 B10R0.165 CC(CC(=O)O)(CC(=O)O)O H137616 [0,1,0,0,0,1|2,0,0]=4 586 B10R0.141 CC(C)(CC(=O)O)C(=O)OC C347909 [0,2,0,0,0,0|2,0,0]=4 587 B10R0.46 CC(CC(=O)OC)C(=O)OC D167667 [0,2,0,0,0,0|2,0,0]=4 588 B10R0.46 COC(=O)CC(C(=O)OC)N A109002 [0,2,0,0,0,0|1,0,0]=3 589 B10R0.46 COC(=O)CC(C(=O)OC)N H194638 [0,2,0,0,0,0|1,0,0]=3 590 B10R0.46 COC(=O)CC(C(=O)OC)O D102009 [0,2,0,0,0,0|2,0,0]=4 591 B10R0.46 COC(=O)CC(C(=O)OC)O D103127 [0,2,0,0,0,0|2,0,0]=4 592 B10R0.53 C(C(C(=O)O)NC(=O)CN)O G121424 [0,2,0,0,0,0|2,0,0]=4 593 B10R0.53 C(C(C(=O)O)NC(=O)CN)O G300468 [0,2,0,0,0,0|2,0,0]=4 594 B10R0.53 CCC(C(=O)O)NC(=O)CN B301387 [0,2,0,0,0,0|2,0,0]=4 595 B10R0.26 C=CCS(=O)CC(C(=O)O)N A110692 [0,2,0,0,0,0|2,0,0]=4 596 B10R0.26 C=CCS(=O)CC(C(=O)O)N A110693 [0,2,0,0,0,0|2,0,0]=4 597 B8R1.4 C1CNC(=O)CC1N A174477 [1,0,0,1,0,0|1,0,1]=4 598 B8R1.18 C1C(=O)NC(=O)N1N A114270 [1,0,0,1,0,0|1,0,0]=3 599 B8R1.18 C1C(=O)NC(=O)N1N A115034 [1,0,0,1,0,0|1,0,0]=3 600 B8R1.18 CC1CC(=O)OC1=O M102626 [1,0,0,1,0,0|2,0,0]=4 601 B8R1.18 CN1CC(=O)NC1=O M158526 [1,0,0,1,0,0|2,0,0]=4 602 B8R1.7 C1C(NCS1)C(=O)O T137734 [1,0,0,1,0,0|2,0,0]=4 603 B8R1.7 C1C(NCS1)C(=O)O T303731 [1,0,0,1,0,0|2,0,0]=4 604 B8R1.7 C1C(NCS1)C(=O)O T424020 [1,0,0,1,0,0|2,0,0]=4 605 B8R1.7 C1C=CC(N1)C(=O)O D137596 [1,0,0,1,0,0|1,0,1]=4 606 B8R1.7 C1C=CC(N1)C(=O)O D169706 [1,0,0,1,0,0|1,0,1]=4 607 B8R1.7 C1C=CCC1C(=O)O C153744 [1,0,0,1,0,0|2,0,0]=4 608 B8R1.7 C1CC(NC1)C(=O)O D423511 [1,0,0,1,0,0|1,0,1]=4 609 B8R1.7 C1CC(NC1)C(=O)O L421729 [1,0,0,1,0,0|1,0,1]=4 610 B8R1.7 C1CC(NC1)C(=O)O P105590 [1,0,0,1,0,0|1,0,1]=4 611 B8R1.7 C1CC(NC1)C(=O)O P108709 [1,0,0,1,0,0|1,0,1]=4 612 B8R1.7 C1CC(NC1)C(=O)O P111001 [1,0,0,1,0,0|1,0,1]=4 613 B8R1.7 C1CC(NC1)C(=O)O P120032 [1,0,0,1,0,0|1,0,1]=4 614 B8R1.7 C1CC(NC1)C(=O)O P140375 [1,0,0,1,0,0|1,0,1]=4 615 B8R1.7 C1CC(NC1)C(=O)O P477766 [1,0,0,1,0,0|1,0,1]=4 616 B8R1.7 C1CNCC1C(=O)O P176886 [1,0,0,1,0,0|1,0,1]=4 617 B8R1.7 C1CNCC1C(=O)O P196048 [1,0,0,1,0,0|1,0,1]=4 618 B8R1.7 C1CNCC1C(=O)O S134732 [1,0,0,1,0,0|1,0,1]=4 619 B8R1.7 C1CNCC1C(=O)O S137345 [1,0,0,1,0,0|1,0,1]=4 620 B8R1.23 C1C(CC1=O)C(=O)O O129102 [1,0,0,1,0,0|1,0,0]=3 621 B8R1.23 C=C1CC(C1)C(=O)O M174562 [1,0,0,1,0,0|2,0,0]=4 622 B8R1.54 C1CC1C(C(=O)O)N S170587 [1,0,0,1,0,0|1,0,1]=4 623 B8R1.78 C1CC(C1)(C(=O)O)N A102435 [1,0,0,1,0,0|1,0,1]=4 624 B8R1.78 C1CC(C1)(C(=O)O)N A151474 [1,0,0,1,0,0|1,0,1]=4 625 B8R1.3 C1C(=O)NCC(=O)N1 G156851 [1,0,0,1,0,0|2,0,0]=4 626 B8R1.3 C1C(=O)OCC(=O)O1 G156824 [1,0,0,1,0,0|2,0,0]=4 627 B8R1.3 C1CC(=O)CCC1=O C110959 [1,0,0,1,0,0|2,0,0]=4 628 B8R1.3 C1CC(=O)NCC1O H191838 [1,0,0,1,0,0|1,0,1]=4 629 B8R1.3 CC1=NNC(=O)CC1 D135167 [1,0,0,1,0,0|2,0,0]=4 630 B10R1.13 C1CC(=O)CCC1C(=O)O O177831 [0,0,0,1,0,1|2,0,0]=4 631 B10R1.13 C1CC(=O)NN=C1C(=O)O T162653 [0,0,0,1,0,1|0,0,2]=4 632 B10R1.14 COC(=O)C1CC(=O)NC1 M176238 [0,1,0,1,0,0|1,0,0]=3 633 B10R1.408 COC(=O)C1CC1C(=O)O M173371 [0,1,0,1,0,0|2,0,0]=4 634 B10R1.113 C1CC(CC(=O)C1)C(=O)O O191300 [0,1,0,1,0,0|2,0,0]=4 635 B8R0.28 C(C(=O)Cl)OCC(=O)Cl O159911 [1,0,0,0,0,1|2,0,0]=4 636 B8R0.28 C(C(=O)N)OCC(=O)O A168692 [1,0,0,0,0,1|0,0,0]=2 637 B8R0.28 C(C(=O)O)NCC(=O)O I104451 [1,0,0,0,0,1|1,0,0]=3 638 B8R0.28 C(C(=O)O)OCC(=O)O D155445 [1,0,0,0,0,1|1,0,0]=3 639 B8R0.28 C(C(=O)O)SCC(=O)O T106634 [1,0,0,0,0,1|1,0,0]=3 640 B8R0.28 C(C(=O)[O-])NCC(=O)[O-] S168477 [1,0,0,0,0,1|1,0,1]=4 641 B8R0.28 C(CC(=O)Cl)CC(=O)Cl G109391 [1,0,0,0,0,1|2,0,0]=4 642 B8R0.28 C(CC(=O)N)CC(=O)O A169054 [1,0,0,0,0,1|0,0,0]=2 643 B8R0.28 C(CC(=O)O)CC(=O)O G103515 [1,0,0,0,0,1|1,0,0]=3 644 B8R0.28 C(CC(=O)O)CC(=O)O G103516 [1,0,0,0,0,1|1,0,0]=3 645 B8R0.28 C(CC(=O)O)CC(=O)O G420610 [1,0,0,0,0,1|1,0,0]=3 646 B8R0.28 C(CC(=O)[O-])CC(=O)[O-] D154294 [1,0,0,0,0,1|1,0,1]=4 647 B8R0.28 C(CN=C(N)N)C(=O)O D137194 [1,0,0,0,0,1|1,0,0]=3 648 B8R0.28 C(CNC(=O)N)C(=O)O U170466 [1,0,0,0,0,1|0,0,0]=2 649 B8R0.28 C(CNC(=O)N)C(=O)O U424088 [1,0,0,0,0,1|0,0,0]=2 650 B8R0.28 C(CSC(=N)N)C(=O)O I121960 [1,0,0,0,0,1|1,0,0]=3 651 B8R0.28 CC(=O)CCCC(=O)O O159987 [1,0,0,0,0,1|1,0,0]=3 652 B8R0.28 CC(=O)NCCC(=O)O N133308 [1,0,0,0,0,1|1,0,0]=3 653 B8R0.28 CC(=O)SCCC(=O)O A136318 [1,0,0,0,0,1|1,0,0]=3 654 B10R0.96 C(CC(=O)O)C(CC(=O)O)N H117048 [0,0,0,0,0,2|1,0,0]=3 655 B10R0.96 CC(CCC(=O)O)CC(=O)O M158387 [0,0,0,0,0,2|2,0,0]=4 656 B10R0.98 C(C(C(=O)O)N)SCC(=O)O S161422 [0,0,0,0,0,2|1,0,0]=3 657 B10R0.98 C(C(C(=O)O)N)SCC(=O)O S303159 [0,0,0,0,0,2|1,0,0]=3 658 B10R0.98 C(CC(C(=O)O)N)CC(=O)O A100535 [0,0,0,0,0,2|1,0,0]=3 659 B10R0.98 C(CC(C(=O)O)N)CC(=O)O A117161 [0,0,0,0,0,2|1,0,0]=3 660 B10R0.98 C(CC(C(=O)O)N)CC(=O)O A117210 [0,0,0,0,0,2|1,0,0]=3 661 B10R0.98 CC(=O)OCCC(C(=O)O)N O351769 [0,0,0,0,0,2|1,0,0]=3