0 B11R0.160 C#CCCC(NC(C)=O)C(=O)O Amb33042801 [0,0,0,0,0,0|1,0,1]=2 1 B11R0.160 C=CCCC(NC(C)=O)C(=O)O Amb33042697 [0,0,0,0,0,0|1,0,1]=2 2 B11R0.160 CC#CCC(NC(C)=O)C(=O)O Amb25949940 [0,0,0,0,0,0|1,0,1]=2 3 B11R0.160 CC#CCC(NC(N)=O)C(=O)O Amb27864120 [0,0,0,0,0,0|2,0,1]=3 4 B11R0.160 CC(=O)NC(CCC#N)C(=O)O Amb33308987 [0,0,0,0,0,0|2,0,0]=2 5 B11R0.160 CC(=O)NC(CCCF)C(=O)O Amb33308610 [0,0,0,0,0,0|2,0,0]=2 6 B11R0.160 CC(=O)NC(CCCO)C(=O)O Amb33036789 [0,0,0,0,0,0|2,0,0]=2 7 B11R0.160 CC(=O)NC(C\C=C\Cl)C(=O)O Amb33037024 [0,0,0,0,0,0|2,0,1]=3 8 B11R0.160 CCCCC(CC(=O)O)C(=O)O Amb17933248 [0,0,0,0,0,0|3,0,0]=3 9 B11R0.160 CCCCC(NC(C)=O)C(=O)O Amb2732387 [0,0,0,0,0,0|1,0,0]=1 10 B11R0.160 CCCCC(NC(N)=O)C(=O)O Amb9329824 [0,0,0,0,0,0|2,0,0]=2 11 B11R0.160 CCCC[C@H](NC(C)=O)C(=O)O Amb2732388 [0,0,0,0,0,0|1,0,0]=1 12 B11R0.160 CCOCC(NC(C)=O)C(=O)O Amb33308943 [0,0,0,0,0,0|2,0,0]=2 13 B11R0.160 CCSCC(CC(=O)O)C(=O)O Amb33323654 [0,0,0,0,0,0|4,0,0]=4 14 B11R0.160 COCCC(CC(=O)O)C(=O)O Amb33377343 [0,0,0,0,0,0|2,1,0]=3 15 B11R0.160 COCCC(NC(C)=O)C(=O)O Amb13952178 [0,0,0,0,0,0|0,1,0]=1 16 B11R0.160 CSCCC(CC(=O)O)C(=O)O Amb33475227 [0,0,0,0,0,0|2,0,0]=2 17 B11R0.160 CSCCC(NC(C)=O)C(=O)O Amb9706349 [0,0,0,0,0,0|0,0,0]=0 18 B11R0.160 CSCCC(NC(C)=O)C(=O)[O-] Amb33513247 [0,0,0,0,0,0|0,0,1]=1 19 B11R0.160 CSCCC(NC(N)=O)C(=O)O Amb1107591 [0,0,0,0,0,0|1,0,0]=1 20 B11R0.160 CSCC[C@@H](NC(C)=O)C(=O)O Amb8629159 [0,0,0,0,0,0|0,0,0]=0 21 B11R0.160 CSCC[C@H](NC(C)=O)C(=O)O Amb2720580 [0,0,0,0,0,0|0,0,0]=0 22 B11R0.160 CSCC[C@H](NC(C)=O)C(N)=O Amb22800241 [0,0,0,0,0,0|1,0,0]=1 23 B11R0.160 CSCC[C@H](NC(N)=O)C(=O)O Amb32668794 [0,0,0,0,0,0|1,0,0]=1 24 B11R0.160 CSC\C=C(/NC(C)=O)C(=O)O Amb27233575 [0,0,0,0,0,0|0,0,2]=2 25 B11R0.160 C\C=C\CC(NC(C)=O)C(=O)O Amb33065773 [0,0,0,0,0,0|1,0,1]=2 26 B10R0.23 C#CCC(NC(C)=O)C(=O)O Amb19929448 [1,0,0,0,0,0|0,0,2]=3 27 B10R0.23 C#CCC(NS(C)=O)C(=O)O Amb27272514 [1,0,0,0,0,0|1,0,2]=4 28 B10R0.23 C#CC[C@H](NC(C)=O)C(=O)O Amb27495396 [1,0,0,0,0,0|0,0,2]=3 29 B10R0.23 C=CCC(NC(C)=O)C(=O)O Amb4013580 [1,0,0,0,0,0|0,0,2]=3 30 B10R0.23 C=CCC(NC(N)=O)C(=O)O Amb27990271 [1,0,0,0,0,0|1,0,2]=4 31 B10R0.23 C=CC[C@@H](NC(C)=O)C(=O)O Amb16182994 [1,0,0,0,0,0|0,0,2]=3 32 B10R0.23 C=CC[C@H](NC(C)=O)C(=O)O Amb24270992 [1,0,0,0,0,0|0,0,2]=3 33 B10R0.23 CC#CC(NC(C)=O)C(=O)O Amb27985934 [1,0,0,0,0,0|0,0,2]=3 34 B10R0.23 CC(=O)NC(CC#N)C(=O)O Amb33127537 [1,0,0,0,0,0|1,0,1]=3 35 B10R0.23 CC(=O)NC(CCF)C(=O)O Amb26651079 [1,0,0,0,0,0|1,0,0]=2 36 B10R0.23 CC(=O)NC(CCO)C(=O)O Amb8631250 [1,0,0,0,0,0|0,1,0]=2 37 B10R0.23 CC(=O)NC(CCS)C(=O)O Amb18127932 [1,0,0,0,0,0|0,0,0]=1 38 B10R0.23 CC(=O)NN(CCO)C(C)=O Amb27989600 [1,0,0,0,0,0|2,1,0]=4 39 B10R0.23 CC(=O)N[C@@H](CCS)C(=O)O Amb27990115 [1,0,0,0,0,0|0,0,0]=1 40 B10R0.23 CCCC(CC(=O)O)C(=O)O Amb18645267 [1,0,0,0,0,0|2,0,0]=3 41 B10R0.23 CCCC(CC(C)=O)C(=O)O Amb533160 [1,0,0,0,0,0|1,0,0]=2 42 B10R0.23 CCCC(CC(C)C)C(=O)O Amb18791931 [1,0,0,0,0,0|2,0,1]=4 43 B10R0.23 CCCC(NC(C)=O)C(=O)Cl Amb27673640 [1,0,0,0,0,0|1,0,0]=2 44 B10R0.23 CCCC(NC(C)=O)C(=O)O Amb4013563 [1,0,0,0,0,0|0,0,0]=1 45 B10R0.23 CCCC(NC(C)=O)C(N)=O Amb27988366 [1,0,0,0,0,0|1,0,0]=2 46 B10R0.23 CCCC(NC(C)C)C(=O)O Amb28960316 [1,0,0,0,0,0|1,0,1]=3 47 B10R0.23 CCCC(NC(C)C)C(=O)O Amb9496296 [1,0,0,0,0,0|1,0,1]=3 48 B10R0.23 CCCC(NC(N)=O)C(=N)N Amb27987103 [1,0,0,0,0,0|3,0,0]=4 49 B10R0.23 CCCC(NC(N)=O)C(=O)O Amb9495809 [1,0,0,0,0,0|1,0,0]=2 50 B10R0.23 CCCC(NC(N)=O)C(N)=O Amb26990652 [1,0,0,0,0,0|2,0,0]=3 51 B10R0.23 CCC[C@@H](NC(C)=O)C(=O)O Amb3941420 [1,0,0,0,0,0|0,0,0]=1 52 B10R0.23 CCC[C@@H](NC(N)=O)C(=O)O Amb27000197 [1,0,0,0,0,0|1,0,0]=2 53 B10R0.23 CCC[C@H](NC(C)=O)C(=O)O Amb3941421 [1,0,0,0,0,0|0,0,0]=1 54 B10R0.23 CCC[C@H](NC(C)=O)C(N)=O Amb27671257 [1,0,0,0,0,0|1,0,0]=2 55 B10R0.23 CCSC(NC(C)=O)C(=O)O Amb27989933 [1,0,0,0,0,0|1,0,0]=2 56 B10R0.23 CC\C=C(\CC(C)=O)C(=O)O Amb27001155 [1,0,0,0,0,0|1,0,2]=4 57 B10R0.23 CC\C=C(\NC(C)=O)C(=O)O Amb27789885 [1,0,0,0,0,0|0,0,2]=3 58 B10R0.23 CC\C=C(\OC(C)=O)C(=O)O Amb26659894 [1,0,0,0,0,0|1,0,2]=4 59 B10R0.23 CNCC(NC(C)=O)C(=O)O Amb27269521 [1,0,0,0,0,0|1,0,0]=2 60 B10R0.23 CNC[C@H](NC(C)=O)C(=O)O Amb25383164 [1,0,0,0,0,0|1,0,0]=2 61 B10R0.23 COCC(CC(=O)O)C(=O)O Amb4007524 [1,0,0,0,0,0|2,1,0]=4 62 B10R0.23 COCC(NC(=O)Cl)C(=O)O Amb27673662 [1,0,0,0,0,0|1,1,0]=3 63 B10R0.23 COCC(NC(C)=O)C(=O)O Amb8385373 [1,0,0,0,0,0|0,1,0]=2 64 B10R0.23 COC[C@@H](NC(C)=O)C(=O)O Amb27990008 [1,0,0,0,0,0|0,1,0]=2 65 B10R0.23 COC[C@H](NC(C)=O)C(=O)O Amb26999845 [1,0,0,0,0,0|0,1,0]=2 66 B10R0.23 CSCC(CC(=O)O)C(=O)O Amb32953699 [1,0,0,0,0,0|2,0,0]=3 67 B10R0.23 CSCC(NC(C)=O)C(=O)O Amb4013561 [1,0,0,0,0,0|0,0,0]=1 68 B10R0.23 CSC[C@H](NC(C)=O)C(=O)O Amb17607605 [1,0,0,0,0,0|0,0,0]=1 69 B10R0.23 CSC[C@H](NC(C)=O)C(N)=O Amb27989966 [1,0,0,0,0,0|1,0,0]=2 70 B10R0.23 NC(=O)NC(CCS)C(=O)O Amb27271753 [1,0,0,0,0,0|1,0,0]=2 71 B10R0.23 NC(=O)N[C@@H](CCO)C(=O)O Amb26993170 [1,0,0,0,0,0|1,1,0]=3 72 B10R0.23 NCCC(NC(=O)O)C(=O)O Amb24091186 [1,0,0,0,0,0|2,0,0]=3 73 B10R0.23 O=C(O)CC(CCF)C(=O)O Amb33196068 [1,0,0,0,0,0|3,0,0]=4 74 B10R0.87 CC(=O)N[C@H](C=O)CN=[N+]=[N-] Amb27673346 [1,0,0,0,0,0|3,0,0]=4 75 B10R0.87 C\C=C\CC(CO)NC(C)=O Amb28326470 [1,0,0,0,0,0|1,0,2]=4 76 B10R0.88 C#CCCC(NC=O)C(=O)O Amb26077063 [1,0,0,0,0,0|1,0,1]=3 77 B10R0.88 C=CCCC(NC=O)C(=O)O Amb33065581 [1,0,0,0,0,0|1,0,1]=3 78 B10R0.88 CC#CCC(NC=O)C(=O)O Amb26628786 [1,0,0,0,0,0|1,0,1]=3 79 B10R0.88 CCCCC(NC=O)C(=O)O Amb18179873 [1,0,0,0,0,0|1,0,0]=2 80 B10R0.88 CCCCC(OCC)C(=O)O Amb33624644 [1,0,0,0,0,0|2,0,1]=4 81 B10R0.88 CCCC[C@@H](N=C=O)C(=O)O Amb33471346 [1,0,0,0,0,0|1,0,2]=4 82 B10R0.88 CCCC[C@@H](NCC)C(=O)O Amb33347490 [1,0,0,0,0,0|1,0,1]=3 83 B10R0.88 CCCC[C@H](N=C=O)C(=O)O Amb33471343 [1,0,0,0,0,0|1,0,2]=4 84 B10R0.88 CCCC[C@H](NC=O)C(=O)O Amb33774736 [1,0,0,0,0,0|1,0,0]=2 85 B10R0.88 CCN[C@@H](COCC)C(=O)O Amb33347504 [1,0,0,0,0,0|2,0,1]=4 86 B10R0.88 CCN[C@H](CCSC)C(=O)O Amb33347486 [1,0,0,0,0,0|0,0,1]=2 87 B10R0.88 CCOCC(NC=O)C(=O)O Amb33309089 [1,0,0,0,0,0|2,0,0]=3 88 B10R0.88 COCCC(N=C=O)C(=O)O Amb33471358 [1,0,0,0,0,0|0,1,2]=4 89 B10R0.88 COCCC(NC=O)C(=O)O Amb18183451 [1,0,0,0,0,0|0,1,0]=2 90 B10R0.88 CSCCC(N=C=O)C(=O)O Amb33471293 [1,0,0,0,0,0|0,0,2]=3 91 B10R0.88 CSCCC(N=C=S)C(=O)O Amb33194605 [1,0,0,0,0,0|0,1,2]=4 92 B10R0.88 CSCC[C@@H](N=[N+]=[N-])C(=O)O Amb32620204 [1,0,0,0,0,0|2,0,1]=4 93 B10R0.88 CSCC[C@@H](NC=O)C(=O)O Amb18180656 [1,0,0,0,0,0|0,0,0]=1 94 B10R0.88 CSCC[C@H](N=C=O)C(=O)O Amb33471339 [1,0,0,0,0,0|0,0,2]=3 95 B10R0.88 CSCC[C@H](N=C=S)C(=O)O Amb33471567 [1,0,0,0,0,0|0,1,2]=4 96 B10R0.88 CSCC[C@H](N=[N+]=[N-])C(=O)O Amb32620233 [1,0,0,0,0,0|2,0,1]=4 97 B10R0.88 CSCC[C@H](NC=O)C(=O)O Amb16232222 [1,0,0,0,0,0|0,0,0]=1 98 B10R0.88 C\C=C\CC(NC=O)C(=O)O Amb33036726 [1,0,0,0,0,0|1,0,1]=3 99 B10R0.88 N#CCCC(NC=O)C(=O)O Amb25386038 [1,0,0,0,0,0|2,0,0]=3 100 B10R0.88 O=CNC(CCCF)C(=O)O Amb33127554 [1,0,0,0,0,0|2,0,0]=3 101 B10R0.88 O=CNC(CCCO)C(=O)O Amb33037084 [1,0,0,0,0,0|2,0,0]=3 102 B10R0.88 O=CNC(C\C=C\Cl)C(=O)O Amb27492443 [1,0,0,0,0,0|2,0,1]=4 103 B10R0.88 [N-]=[N+]=NCC(NC=O)C(=O)O Amb27271423 [1,0,0,0,0,0|3,0,0]=4 104 B12R0.73 C=CCC(C)C(NC(C)=O)C(=O)O Amb33308568 [0,1,0,0,0,0|1,0,1]=3 105 B12R0.73 CC(=O)NC(C(=O)O)C(C)CC#N Amb33308843 [0,1,0,0,0,0|2,0,0]=3 106 B12R0.73 CCCC(C)C(CC(=O)O)C(=O)O Amb33080054 [0,1,0,0,0,0|3,0,0]=4 107 B12R0.73 CCCC(C)C(NC(C)=O)C(=O)O Amb33036589 [0,1,0,0,0,0|1,0,0]=2 108 B12R0.73 CCOC(=O)C(NC(C)=O)C(=O)O Amb753101 [0,1,0,0,0,0|2,0,1]=4 109 B12R0.73 CCOC(C)C(NC(C)=O)C(=O)O Amb33308739 [0,1,0,0,0,0|2,0,0]=3 110 B12R0.73 COCC(C)C(NC(C)=O)C(=O)O Amb33066211 [0,1,0,0,0,0|0,1,0]=2 111 B12R0.120 C#CCCCC(NC(C)=O)C(=O)O Amb33042800 [0,1,0,0,0,0|1,0,1]=3 112 B12R0.120 C=CCCCC(NC(C)=O)C(=O)O Amb33042797 [0,1,0,0,0,0|1,0,1]=3 113 B12R0.120 C=CCOCC(NC(C)=O)C(=O)O Amb33309043 [0,1,0,0,0,0|1,0,1]=3 114 B12R0.120 CC#CCCC(NC(C)=O)C(=O)O Amb33036977 [0,1,0,0,0,0|1,0,0]=2 115 B12R0.120 CC(=O)NC(CC#CCO)C(=O)O Amb27776849 [0,1,0,0,0,0|1,0,1]=3 116 B12R0.120 CC(=O)NC(CCCC#N)C(=O)O Amb33127590 [0,1,0,0,0,0|1,0,1]=3 117 B12R0.120 CC(=O)NC(CCCCF)C(=O)O Amb33065408 [0,1,0,0,0,0|1,0,0]=2 118 B12R0.120 CC(=O)NC(CCCCO)C(=O)O Amb33036927 [0,1,0,0,0,0|1,0,0]=2 119 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)O Amb8514726 [0,1,0,0,0,0|1,0,0]=2 120 B12R0.120 CCCCCC(NC(C)=O)C(=O)O Amb33309213 [0,1,0,0,0,0|1,0,0]=2 121 B12R0.120 CCCOCC(NC(C)=O)C(=O)O Amb33037093 [0,1,0,0,0,0|1,0,0]=2 122 B12R0.120 CCOCCC(NC(C)=O)C(=O)O Amb33042809 [0,1,0,0,0,0|0,1,0]=2 123 B12R0.120 CCSCCC(NC(C)=O)C(=O)O Amb4001722 [0,1,0,0,0,0|0,0,0]=1 124 B12R0.120 COCCCC(NC(C)=O)C(=O)O Amb33042719 [0,1,0,0,0,0|0,1,0]=2 125 B12R0.120 CSCCCC(NC(C)=O)C(=O)O Amb33036957 [0,1,0,0,0,0|0,0,0]=1 126 B12R0.120 N=C(\N)NC(CCCCN)C(=O)O Amb32416011 [0,1,0,0,0,0|3,0,0]=4 127 B12R0.129 CCC(=O)NC(CCSC)C(=O)O Amb9704541 [0,1,0,0,0,0|0,0,0]=1 128 B12R0.129 CCCCC(NC(=O)CCl)C(=O)O Amb24093583 [0,1,0,0,0,0|1,0,0]=2 129 B12R0.129 CSCCC(NC(=O)CN)C(=O)O Amb3987864 [0,1,0,0,0,0|0,0,0]=1 130 B12R0.138 C=C(C)CCC(NC(C)=O)C(=O)O Amb33308627 [0,1,0,0,0,0|1,0,0]=2 131 B12R0.138 CC(=O)CCC(NC(C)=O)C(=O)O Amb33036575 [0,1,0,0,0,0|1,0,0]=2 132 B12R0.138 CC(=O)NC(CC=C(C)C)C(=O)O Amb33042720 [0,1,0,0,0,0|1,0,1]=3 133 B12R0.138 CC(=O)NC(CC=C(Cl)Cl)C(=O)O Amb32867933 [0,1,0,0,0,0|2,0,1]=4 134 B12R0.138 CC(=O)NC(CCC(=O)O)C(=O)O Amb533294 [0,1,0,0,0,0|2,0,0]=3 135 B12R0.138 CC(=O)NC(CCC(C)C)C(=O)O Amb28555942 [0,1,0,0,0,0|1,0,0]=2 136 B12R0.138 CC(=O)NC(CCC(C)N)C(=O)O Amb32455360 [0,1,0,0,0,0|1,0,0]=2 137 B12R0.138 CC(=O)NC(CCC(C)O)C(=O)O Amb32455361 [0,1,0,0,0,0|1,0,0]=2 138 B12R0.138 CC(=O)NC(CCC(N)=O)C(=O)O Amb6661579 [0,1,0,0,0,0|2,0,0]=3 139 B12R0.138 CC(=O)NC(CCN(C)C)C(=O)O Amb33309026 [0,1,0,0,0,0|1,0,0]=2 140 B12R0.138 CC(=O)NC(CCS(C)=O)C(=O)O Amb33065752 [0,1,0,0,0,0|0,0,1]=2 141 B12R0.138 CC(=O)NC(COC(C)C)C(=O)O Amb32788602 [0,1,0,0,0,0|2,0,0]=3 142 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O Amb2719700 [0,1,0,0,0,0|2,0,0]=3 143 B12R0.138 CC(=O)N[C@@H](CCC(N)=O)C(=O)O Amb3939919 [0,1,0,0,0,0|2,0,0]=3 144 B12R0.138 CC(=O)N[C@@H](CCS(C)=O)C(=O)O Amb22799513 [0,1,0,0,0,0|0,0,1]=2 145 B12R0.138 CC(=O)N[C@H](CCC(=O)O)C(=O)O Amb6295801 [0,1,0,0,0,0|2,0,0]=3 146 B12R0.138 CN(C)CCC(CC(=O)O)C(=O)O Amb33271640 [0,1,0,0,0,0|3,0,0]=4 147 B12R0.138 NC(=O)NC(CCC(=O)O)C(=O)O Amb1152860 [0,1,0,0,0,0|3,0,0]=4 148 B12R0.138 NC(=O)N[C@@H](CCC(=O)O)C(=O)O Amb16232094 [0,1,0,0,0,0|3,0,0]=4 149 B12R0.151 C=C(CC)CC(NC(C)=O)C(=O)O Amb33035582 [0,1,0,0,0,0|1,0,1]=3 150 B12R0.151 CC(=O)NC(CC(C)C#N)C(=O)O Amb33065433 [0,1,0,0,0,0|2,0,0]=3 151 B12R0.151 CC(=O)NC(CC(C)CO)C(=O)O Amb33065530 [0,1,0,0,0,0|2,0,0]=3 152 B12R0.151 CC(=O)NC(CC(O)CF)C(=O)O Amb33065771 [0,1,0,0,0,0|2,0,0]=3 153 B12R0.151 CC(=O)NC(CC(O)CO)C(=O)O Amb33066119 [0,1,0,0,0,0|2,0,0]=3 154 B12R0.151 CC(=O)NC(C\C(C)=C\Cl)C(=O)O Amb33065890 [0,1,0,0,0,0|2,0,1]=4 155 B12R0.151 CCC(=O)CC(NC(C)=O)C(=O)O Amb33036669 [0,1,0,0,0,0|1,0,1]=3 156 B12R0.151 CCC(C)CC(NC(C)=O)C(=O)O Amb33042722 [0,1,0,0,0,0|1,0,0]=2 157 B12R0.151 CCC(O)CC(NC(C)=O)C(=O)O Amb33065943 [0,1,0,0,0,0|1,0,0]=2 158 B12R0.151 COC(=O)CC(NC(C)=O)C(=O)O Amb32661518 [0,1,0,0,0,0|0,1,1]=3 159 B12R0.151 COC(=O)CC(NC(C)=O)C(=O)[O-] Amb34916569 [0,1,0,0,0,0|0,1,2]=4 160 B12R0.151 COC(=O)C[C@H](NC(C)=O)C(=O)O Amb24271277 [0,1,0,0,0,0|0,1,1]=3 161 B12R0.151 COC(C)CC(NC(C)=O)C(=O)O Amb33037068 [0,1,0,0,0,0|0,1,0]=2 162 B12R0.247 CNC(=O)C(CCSC)NC(C)=O Amb32753173 [0,1,0,0,0,0|1,0,0]=2 163 B12R0.247 CNC(=O)[C@H](CCSC)NC(C)=O Amb32671108 [0,1,0,0,0,0|1,0,0]=2 164 B12R0.247 COC(=O)[C@H](CCSC)NC(C)=O Amb15691928 [0,1,0,0,0,0|0,0,0]=1 165 B12R0.253 CCCCC(C(=O)O)C(O)C(=O)O Amb33041387 [0,1,0,0,0,0|3,0,0]=4 166 B12R0.288 CCCCC(NS(C)(=O)=O)C(=O)O Amb9239729 [0,1,0,0,0,0|2,0,0]=3 167 B12R0.288 CSCCC(NS(C)(=O)=O)C(=O)O Amb1111631 [0,1,0,0,0,0|1,0,0]=2 168 B12R0.356 CCCCC(O)(CC(=O)O)C(=O)O Amb32687542 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.11 CCC1CC(C(=O)O)CC(=O)N1 Amb28401239 [0,0,0,1,0,0|3,0,0]=4 170 B12R1.11 CCN1CC(=O)CC(C(=O)O)C1 Amb25826254 [0,0,0,1,0,0|3,0,0]=4 171 B12R1.11 O=C1NC(CS)CC(C(=O)O)N1 Amb26883257 [0,0,0,1,0,0|3,0,0]=4 172 B12R1.11 O=C1N[C@H](CO)C[C@H](C(=O)O)N1 Amb27232232 [0,0,0,1,0,0|3,0,0]=4 173 B12R1.210 CC(=O)NC1CCCCNC1=S Amb28186547 [0,0,0,1,0,0|2,1,0]=4 174 B12R1.210 CC(=O)N[C@@H]1CCNCC[C@H]1O Amb30530928 [0,0,0,1,0,0|2,0,1]=4 175 B12R1.210 CC(=O)N[C@H]1CCCCNC1=O Amb27751272 [0,0,0,1,0,0|2,0,0]=3 176 B12R1.210 CC(=O)OC1CCCCNC1=O Amb27840746 [0,0,0,1,0,0|3,0,0]=4 177 B12R1.210 CC(=O)O[C@@H]1CCCCCC1=O Amb27177916 [0,0,0,1,0,0|3,0,0]=4 178 B12R1.210 NC(=O)NC1CCCCNC1=O Amb25328510 [0,0,0,1,0,0|3,0,0]=4 179 B12R1.210 O=C(O)C[C@@H]1CCCCOC1=O Amb27389145 [0,0,0,1,0,0|3,0,0]=4 180 B12R1.217 CC1CC1C(CC(=O)O)C(=O)O Amb33143854 [0,0,0,1,0,0|3,0,0]=4 181 B12R1.233 CC(=O)NC1CCC(=O)OC1=O Amb25234120 [0,0,0,1,0,0|2,0,0]=3 182 B12R1.233 CC(=O)NC1CCC(C)OC1=O Amb27616520 [0,0,0,1,0,0|1,0,0]=2 183 B12R1.233 CC(=O)NC1CCC(O)OC1=O Amb27969228 [0,0,0,1,0,0|2,0,0]=3 184 B12R1.233 CC(=O)N[C@H]1CCC(O)OC1=O Amb28040913 [0,0,0,1,0,0|2,0,0]=3 185 B12R1.233 CC(=O)OC1CCC(C)=CC1=O Amb17594203 [0,0,0,1,0,0|3,0,0]=4 186 B12R1.261 CC(=O)C1CCCCC1C(=O)O Amb25966565 [0,0,0,1,0,0|2,0,0]=3 187 B12R1.261 CC(=O)C1CCCCC1C(C)=O Amb28397272 [0,0,0,1,0,0|3,0,0]=4 188 B12R1.261 CC(=O)C1CCCCN1S(C)=O Amb27257216 [0,0,0,1,0,0|3,0,0]=4 189 B12R1.261 CC(=O)N1CCCCC1C(=O)O Amb9703955 [0,0,0,1,0,0|1,0,0]=2 190 B12R1.261 CC(=O)N1CCCCC1C(C)O Amb27970713 [0,0,0,1,0,0|2,0,1]=4 191 B12R1.261 CC(=O)N1CCCCC1C(N)=S Amb27770024 [0,0,0,1,0,0|2,1,0]=4 192 B12R1.261 CC(=O)N1CCCC[C@@H]1C(=O)O Amb25715695 [0,0,0,1,0,0|1,0,0]=2 193 B12R1.261 CC(=O)N1CCNCC1C(N)=O Amb20061320 [0,0,0,1,0,0|3,0,0]=4 194 B12R1.261 CC(=O)N1CCOCC1C(=O)O Amb33547760 [0,0,0,1,0,0|2,0,0]=3 195 B12R1.261 CC(=O)N1CCOCC1C(N)=O Amb28204637 [0,0,0,1,0,0|3,0,0]=4 196 B12R1.261 CC(=O)N1CCSCC1C(N)=O Amb27802053 [0,0,0,1,0,0|3,0,0]=4 197 B12R1.261 CC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O Amb27848568 [0,0,0,1,0,0|2,0,1]=4 198 B12R1.261 CC(=O)[C@@H]1CCCC[C@@H]1C(=O)O Amb27632423 [0,0,0,1,0,0|2,0,0]=3 199 B12R1.261 CC(=O)[C@H]1CC=CC[C@@H]1C(=O)O Amb28129545 [0,0,0,1,0,0|2,0,1]=4 200 B12R1.261 CC(=O)[C@H]1CCCC[C@@H]1C(=O)O Amb27965025 [0,0,0,1,0,0|2,0,0]=3 201 B12R1.261 CC(=O)[C@H]1CCCC[C@@H]1C(C)=O Amb27789988 [0,0,0,1,0,0|3,0,0]=4 202 B12R1.261 CC(C)N1CCCCC1C(=O)O Amb33551648 [0,0,0,1,0,0|2,0,1]=4 203 B12R1.261 CC(C)N1CCCCC1C(=O)O Amb9299682 [0,0,0,1,0,0|2,0,1]=4 204 B12R1.261 CC(C)N1CCCC[C@H]1C(=O)O Amb13886258 [0,0,0,1,0,0|2,0,1]=4 205 B12R1.261 CS(=O)N1CCCC[C@H]1C(=O)O Amb27784330 [0,0,0,1,0,0|2,0,0]=3 206 B12R1.261 CS(=O)N1CCSCC1C(=O)O Amb27431930 [0,0,0,1,0,0|3,0,0]=4 207 B12R1.261 NC(=O)C1CCCCC1C(=O)O Amb2732939 [0,0,0,1,0,0|3,0,0]=4 208 B12R1.261 NC(=O)C1CCCCN1C(N)=O Amb18806864 [0,0,0,1,0,0|3,0,0]=4 209 B12R1.261 NC(=O)N1CCCCC1C(=O)O Amb9705058 [0,0,0,1,0,0|2,0,0]=3 210 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O Amb25225612 [0,0,0,1,0,0|3,0,0]=4 211 B12R1.261 NC(=O)[C@@H]1CCCC[C@H]1C(=O)O Amb22737172 [0,0,0,1,0,0|3,0,0]=4 212 B12R1.261 NC(=O)[C@H]1CCCC[C@@H]1C(=O)O Amb22737173 [0,0,0,1,0,0|3,0,0]=4 213 B12R1.261 NC(=O)[C@H]1CCCC[C@H]1C(=O)O Amb28052093 [0,0,0,1,0,0|3,0,0]=4 214 B12R1.261 O=C(O)C1CCCCC1C(=O)O Amb2555292 [0,0,0,1,0,0|3,0,0]=4 215 B12R1.261 O=C(O)C1CCCCN1[N+](=O)[O-] Amb27880870 [0,0,0,1,0,0|3,0,0]=4 216 B12R1.261 O=C(O)C1CCCC[C@@H]1C(=O)O Amb27445486 [0,0,0,1,0,0|3,0,0]=4 217 B12R1.261 O=C(O)C1CCCC[C@H]1C(=O)O Amb25329514 [0,0,0,1,0,0|3,0,0]=4 218 B12R1.261 O=C(O)C1CCNCC1C(=O)O Amb26371620 [0,0,0,1,0,0|3,0,0]=4 219 B12R1.261 O=C(O)C1CCNCC1C(=O)O Amb28653060 [0,0,0,1,0,0|3,0,0]=4 220 B12R1.261 O=C(O)C1CCSCC1C(=O)O Amb27445067 [0,0,0,1,0,0|2,0,0]=3 221 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O Amb30628538 [0,0,0,1,0,0|3,0,0]=4 222 B12R1.261 O=C(O)[C@@H]1CCCC[C@H]1C(=O)O Amb33523567 [0,0,0,1,0,0|3,0,0]=4 223 B12R1.261 O=C(O)[C@@H]1CCNC[C@@H]1C(=O)O Amb27477788 [0,0,0,1,0,0|3,0,0]=4 224 B12R1.261 O=C(O)[C@H]1CCCC[C@@H]1C(=O)O Amb3941630 [0,0,0,1,0,0|3,0,0]=4 225 B12R1.261 O=C(O)[C@H]1CCCC[C@H]1C(=O)O Amb4012860 [0,0,0,1,0,0|3,0,0]=4 226 B12R1.276 CCCN1CC(=O)CC1C(=O)O Amb25851504 [0,0,0,1,0,0|3,0,0]=4 227 B12R1.276 CCC[C@@H]1CC(=O)N[C@H]1C(=O)O Amb28384100 [0,0,0,1,0,0|1,0,0]=2 228 B12R1.276 CCC[C@@H]1CC(=O)OC1C(=O)O Amb27233499 [0,0,0,1,0,0|2,0,0]=3 229 B12R1.276 COCC1NC(=O)CC1C(=O)O Amb18198108 [0,0,0,1,0,0|2,1,0]=4 230 B12R1.374 CCCCC1NC(=O)OCC1=O Amb28073009 [0,0,0,1,0,0|3,0,0]=4 231 B12R1.374 CCOC[C@@H]1NC(=O)CNC1=O Amb27248261 [0,0,0,1,0,0|3,0,0]=4 232 B12R1.374 CSCCC1NC(=O)CNC1=O Amb28252421 [0,0,0,1,0,0|1,0,0]=2 233 B12R1.374 CSCCC1NC(C)=CNC1=O Amb27845399 [0,0,0,1,0,0|2,0,0]=3 234 B12R1.374 CSCCC1NC(C)=NNC1=O Amb18454733 [0,0,0,1,0,0|2,0,0]=3 235 B12R1.374 CSCCC1NC(C)CNC1=O Amb27655128 [0,0,0,1,0,0|2,0,1]=4 236 B12R1.374 CSCC[C@H]1NC(C)CNC1=O Amb18820658 [0,0,0,1,0,0|2,0,1]=4 237 B12R1.377 CSCCC1NS(=O)(=O)NC1=O Amb27238939 [0,0,0,1,0,0|3,0,0]=4 238 B12R1.498 CC(=O)C1CCC(=O)N1C(C)=O Amb25034653 [0,0,0,1,0,0|3,0,0]=4 239 B12R1.498 CC(=O)N1C(=N)SCC1C(=O)O Amb28385430 [0,0,0,1,0,0|3,0,0]=4 240 B12R1.498 CC(=O)N1C(=N)SC[C@H]1C(=O)O Amb28119931 [0,0,0,1,0,0|3,0,0]=4 241 B12R1.498 CC(=O)N1C(=O)CCC1C(=O)O Amb17334836 [0,0,0,1,0,0|2,0,0]=3 242 B12R1.498 CC(=O)N1C(=O)CC[C@H]1C(=O)Cl Amb26477860 [0,0,0,1,0,0|3,0,0]=4 243 B12R1.498 CC(=O)N1C(=O)SC[C@H]1C(=O)O Amb27984735 [0,0,0,1,0,0|3,0,0]=4 244 B12R1.498 CC(=O)N1C(C)CCC1C(=O)O Amb26359930 [0,0,0,1,0,0|1,0,0]=2 245 B12R1.498 CC(=O)N1C(C)SC[C@H]1C(=O)O Amb27484063 [0,0,0,1,0,0|2,0,0]=3 246 B12R1.498 CC(=O)N1C(N)=NCC1C(=O)O Amb25941414 [0,0,0,1,0,0|3,0,0]=4 247 B12R1.498 CC1=C(C(=O)O)C(C(=O)O)CC1 Amb4014265 [0,0,0,1,0,0|3,0,0]=4 248 B12R1.498 C[C@@H]1CC[C@@H](C(=O)O)[C@@H]1C(=O)O Amb27212341 [0,0,0,1,0,0|3,0,0]=4 249 B12R1.498 C[C@H]1CC[C@H](C(=O)O)[C@H]1C(=O)O Amb27637694 [0,0,0,1,0,0|3,0,0]=4 250 B12R1.871 CC(=O)NC1(C(=O)O)CCC1C Amb28342381 [0,0,0,1,0,0|1,0,0]=2 251 B12R1.871 CC(=O)N[C@]1(C(=O)O)CC[C@H]1C Amb27444184 [0,0,0,1,0,0|1,0,0]=2 252 B12R1.871 CC(C)NC1(C(=O)O)CCC1C Amb27417114 [0,0,0,1,0,0|2,0,1]=4 253 B12R1.1011 CC(=O)C1CCCCCC(=O)C1 Amb27211944 [0,0,0,1,0,0|3,0,0]=4 254 B12R1.1011 NC(=O)C1CCCCCC(=O)C1 Amb27207261 [0,0,0,1,0,0|3,0,0]=4 255 B12R1.1011 O=C1CCCCCC(C(=O)O)C1 Amb25187509 [0,0,0,1,0,0|2,0,0]=3 256 B12R1.1011 O=C1CCSCCC(C(=O)O)N1 Amb27166504 [0,0,0,1,0,0|0,0,0]=1 257 B12R1.1011 O=C1CCSCC[C@H](C(=O)O)N1 Amb28198021 [0,0,0,1,0,0|0,0,0]=1 258 B12R1.1218 CC1=CC(C)=NCC(C(=O)O)N1 Amb27768016 [0,0,0,1,0,0|3,0,0]=4 259 B12R1.1789 CCCCC1(C(=O)O)CC(=O)C1 Amb33310475 [0,0,0,1,0,0|2,0,0]=3 260 B12R1.1789 CCCSC1(C(=O)O)CC(=O)C1 Amb32716413 [0,0,0,1,0,0|3,0,0]=4 261 B12R1.1789 CCSCC1(C(=O)O)CC(=O)C1 Amb33223910 [0,0,0,1,0,0|3,0,0]=4 262 B12R1.1789 COCCC1(C(=O)O)CC(=O)C1 Amb33377298 [0,0,0,1,0,0|1,1,0]=3 263 B12R1.1789 CSCCC1(C(=O)O)CC(=O)C1 Amb33203354 [0,0,0,1,0,0|1,0,0]=2 264 B12R1.1789 CSCCC1(C(=O)O)CC(N)C1 Amb33203352 [0,0,0,1,0,0|2,0,1]=4 265 B12R1.1789 CSCCC1(C(=O)O)CC(O)C1 Amb33203353 [0,0,0,1,0,0|1,0,2]=4 266 B12R1.1800 CSCCC1(C(=O)O)CC1(C)C Amb33197639 [0,0,0,1,0,0|2,0,1]=4 267 B12R1.1813 CC(=O)NC(C(=O)O)C1CCC1 Amb27392290 [0,0,0,1,0,0|1,0,0]=2 268 B12R1.1813 CC(=O)NC(C(=O)O)C1COC1 Amb33065546 [0,0,0,1,0,0|0,1,0]=2 269 B12R1.1813 CC(=O)N[C@@H](C(=O)O)C1CCC1 Amb22641895 [0,0,0,1,0,0|1,0,0]=2 270 B12R1.1813 CC(=O)N[C@H](C(=O)O)C1CCC1 Amb33715655 [0,0,0,1,0,0|1,0,0]=2 271 B12R1.1813 NC(=O)NC(C(=O)O)C1CCC1 Amb28344291 [0,0,0,1,0,0|2,0,0]=3 272 B12R1.1813 O=C(O)CC(C(=O)O)C1CCC1 Amb33171778 [0,0,0,1,0,0|3,0,0]=4 273 B12R1.3171 CC(=O)CC1(C(=O)O)CCCC1 Amb33466978 [0,0,0,1,0,0|2,0,0]=3 274 B12R1.3171 CC(=O)CC1(C(=O)O)CCNC1 Amb33804707 [0,0,0,1,0,0|2,0,0]=3 275 B12R1.3171 CC(=O)NC1(C(=O)O)CCCC1 Amb9212906 [0,0,0,1,0,0|1,0,0]=2 276 B12R1.3171 CC(=O)NC1(C(=O)O)CCNC1 Amb30010174 [0,0,0,1,0,0|1,0,0]=2 277 B12R1.3171 CC(=O)NC1(C(=O)O)CCSC1 Amb18956249 [0,0,0,1,0,0|0,0,0]=1 278 B12R1.3171 CC(=O)NC1(C(N)=O)CCCC1 Amb28343099 [0,0,0,1,0,0|2,0,0]=3 279 B12R1.3171 CC(=O)OC1(C(=O)O)CCCC1 Amb18647589 [0,0,0,1,0,0|2,0,0]=3 280 B12R1.3171 CC(C)NC1(C(=O)O)CCNC1 Amb30010325 [0,0,0,1,0,0|2,0,1]=4 281 B12R1.3171 CC(C)NC1(C(N)=O)CCSC1 Amb18970285 [0,0,0,1,0,0|2,0,1]=4 282 B12R1.3171 CC(C)OC1(C(=O)O)CCSC1 Amb18291697 [0,0,0,1,0,0|2,0,1]=4 283 B12R1.3171 CS(=O)NC1(C(=O)O)CCCC1 Amb27629883 [0,0,0,1,0,0|2,0,0]=3 284 B12R1.3171 NC(=O)NC1(C(=O)O)CCNC1 Amb30010353 [0,0,0,1,0,0|2,0,0]=3 285 B12R1.3171 O=C(O)CC1(C(=O)O)CCCC1 Amb2726377 [0,0,0,1,0,0|3,0,0]=4 286 B12R1.3171 O=C(O)CC1(C(=O)O)CCNC1 Amb22713519 [0,0,0,1,0,0|3,0,0]=4 287 B12R1.3171 O=C(O)CC1(C(=O)O)CCNC1 Amb28963362 [0,0,0,1,0,0|3,0,0]=4 288 B12R1.3171 O=C(O)CC1(C(=O)O)CCSC1 Amb27847588 [0,0,0,1,0,0|2,0,0]=3 289 B12R1.3579 CC(=O)NC(CC1CC1)C(=O)O Amb22489683 [0,0,0,1,0,0|1,0,0]=2 290 B12R1.3579 CC(=O)N[C@H](CC1CC1)C(=O)O Amb8631227 [0,0,0,1,0,0|1,0,0]=2 291 B12R1.3579 O=C(O)CC(CC1CC1)C(=O)O Amb33172195 [0,0,0,1,0,0|3,0,0]=4 292 B10R0.17 CC(=O)C(CCC#N)C(C)=O Amb2693774 [0,0,0,0,1,0|3,0,0]=4 293 B10R0.17 CCCCC(C(=O)O)C(=O)O Amb2759447 [0,0,0,0,1,0|2,0,0]=3 294 B10R0.17 CCCCC(C(=O)O)C(C)C Amb18179821 [0,0,0,0,1,0|2,0,1]=4 295 B10R0.17 CCCCC(C(=O)O)N(C)C Amb18787861 [0,0,0,0,1,0|3,0,0]=4 296 B10R0.17 CCCCC(C(N)=O)C(N)=O Amb341379 [0,0,0,0,1,0|3,0,0]=4 297 B10R0.17 CCCC[C@H](C(=O)O)N(C)C Amb32660269 [0,0,0,0,1,0|3,0,0]=4 298 B10R0.17 COCCC(C(=O)O)C(C)C Amb18179972 [0,0,0,0,1,0|1,1,1]=4 299 B10R0.17 CSCCC(C(=O)O)C(C)C Amb33429469 [0,0,0,0,1,0|1,0,1]=3 300 B10R0.17 CSCC\C(C(=O)O)=C(/N)O Amb27818530 [0,0,0,0,1,0|1,0,2]=4 301 B10R0.17 C\C=C\CC(C(C)=O)C(C)=O Amb27673579 [0,0,0,0,1,0|2,0,1]=4 302 B10R0.17 NCCCC(C(=O)O)C(=O)O Amb33621254 [0,0,0,0,1,0|3,0,0]=4 303 B10R0.17 NCCCC(C(=O)O)C(=O)O Amb5395772 [0,0,0,0,1,0|3,0,0]=4 304 B12R0.55 CCCCC(ON=C(C)C)C(=O)O Amb33068951 [0,0,0,0,0,1|2,0,1]=4 305 B12R0.55 CSCCC(NCC(C)C)C(=O)O Amb19879405 [0,0,0,0,0,1|1,0,1]=3 306 B12R0.242 CCCCC(CC(=O)O)CC(=O)O Amb17594877 [0,0,0,0,0,1|3,0,0]=4 307 B12R0.242 CCCCC(CC(=O)O)NC(C)=O Amb32787921 [0,0,0,0,0,1|1,0,0]=2 308 B12R0.242 COCCC(CC(=O)O)CC(=O)O Amb33377344 [0,0,0,0,0,1|2,1,0]=4 309 B12R0.242 CSCCC(CC(=O)O)CC(=O)O Amb33203366 [0,0,0,0,0,1|2,0,0]=3 310 B12R0.242 CSCCC(CC(=O)O)NC(C)=O Amb32787988 [0,0,0,0,0,1|0,0,0]=1 311 B12R0.242 CSCCN(CC(=O)O)CC(=O)O Amb32667019 [0,0,0,0,0,1|3,0,0]=4 312 B9R0.14 C#CC(CCC)NC(C)=O Amb28143405 [2,0,0,0,0,0|1,0,1]=4 313 B9R0.14 C=CC(CCC)OC(C)=O Amb22227963 [2,0,0,0,0,0|2,0,0]=4 314 B9R0.14 CC(=O)NC(C=O)CC=O Amb27424810 [2,0,0,0,0,0|0,1,1]=4 315 B9R0.14 CC(=O)NC(CO)CCO Amb26855329 [2,0,0,0,0,0|0,1,1]=4 316 B9R0.14 CC(=O)N[C@@H](C=O)CC=O Amb27950711 [2,0,0,0,0,0|0,1,1]=4 317 B9R0.14 CC(=O)N[C@H](CO)CCO Amb28043105 [2,0,0,0,0,0|0,1,1]=4 318 B9R0.14 CCCC(C=O)OC(C)=O Amb18644107 [2,0,0,0,0,0|1,0,0]=3 319 B9R0.14 COC[C@H](CO)NC(C)=O Amb28342322 [2,0,0,0,0,0|0,1,1]=4 320 B9R0.15 C#CCC(NC=O)C(=O)O Amb25069360 [2,0,0,0,0,0|0,0,2]=4 321 B9R0.15 C=CCC(CCC)C(=O)O Amb17619617 [2,0,0,0,0,0|1,0,1]=4 322 B9R0.15 C=CCC(NC=O)C(=O)O Amb24641210 [2,0,0,0,0,0|0,0,2]=4 323 B9R0.15 CC#CC(CCC)C(=O)O Amb27590192 [2,0,0,0,0,0|1,0,1]=4 324 B9R0.15 CCCC(CC=O)C(=O)O Amb27786319 [2,0,0,0,0,0|1,0,0]=3 325 B9R0.15 CCCC(CCC)C(=O)O Amb3940097 [2,0,0,0,0,0|1,0,1]=4 326 B9R0.15 CCCC(NC=O)C(=O)O Amb9871545 [2,0,0,0,0,0|0,0,0]=2 327 B9R0.15 CCCC(NCC)C(=O)O Amb9496319 [2,0,0,0,0,0|0,0,1]=3 328 B9R0.15 CCCC(OCC)C(=O)O Amb28050125 [2,0,0,0,0,0|1,0,1]=4 329 B9R0.15 CCC[C@@H](N=C=O)C(=O)O Amb33471348 [2,0,0,0,0,0|0,0,2]=4 330 B9R0.15 CCC[C@@H](NC=O)C(=O)O Amb27831939 [2,0,0,0,0,0|0,0,0]=2 331 B9R0.15 CCC[C@@H](NCC)C(=O)O Amb33347491 [2,0,0,0,0,0|0,0,1]=3 332 B9R0.15 CCC[C@H](N=C=O)C(=O)O Amb33471344 [2,0,0,0,0,0|0,0,2]=4 333 B9R0.15 CCC[C@H](NCC)C(=O)O Amb33347483 [2,0,0,0,0,0|0,0,1]=3 334 B9R0.15 CCNC(CCN)C(=O)O Amb27830036 [2,0,0,0,0,0|1,0,1]=4 335 B9R0.15 CCNC(CSC)C(N)=O Amb18788150 [2,0,0,0,0,0|1,0,1]=4 336 B9R0.15 CCN[C@H](COC)C(=O)O Amb33347499 [2,0,0,0,0,0|0,1,1]=4 337 B9R0.15 COCC(NC=O)C(=O)O Amb25378764 [2,0,0,0,0,0|0,1,0]=3 338 B9R0.15 COC[C@H](NC=O)C(=O)O Amb27390202 [2,0,0,0,0,0|0,1,0]=3 339 B9R0.15 CSCC(CSC)C(=O)O Amb26392213 [2,0,0,0,0,0|2,0,0]=4 340 B9R0.15 CSCC(N=C=O)C(=O)O Amb33471313 [2,0,0,0,0,0|0,0,2]=4 341 B9R0.15 CSCC(NCO)C(=O)O Amb28137810 [2,0,0,0,0,0|0,0,2]=4 342 B9R0.15 C\C=C\C(CCC)C(=O)O Amb18643916 [2,0,0,0,0,0|1,0,0]=3 343 B9R0.15 N#CCC(NC=O)C(=O)O Amb33066274 [2,0,0,0,0,0|1,0,1]=4 344 B9R0.15 O=CNC(CCF)C(=O)O Amb26995646 [2,0,0,0,0,0|1,0,0]=3 345 B9R0.15 O=CNC(CCO)C(=O)O Amb18305692 [2,0,0,0,0,0|0,1,0]=3 346 B9R0.15 O=CN[C@H](CCO)C(=O)O Amb27238455 [2,0,0,0,0,0|0,1,0]=3 347 B9R0.39 C#CC(NC(C)=O)C(=O)O Amb27411184 [2,0,0,0,0,0|0,0,2]=4 348 B9R0.39 C#C[C@@H](NC(C)=O)C(=O)O Amb27393972 [2,0,0,0,0,0|0,0,2]=4 349 B9R0.39 C=C(C)C[C@@H](CC)C(=O)O Amb27785162 [2,0,0,0,0,0|2,0,0]=4 350 B9R0.39 C=C[C@@H](NC(C)=O)C(=O)O Amb28050121 [2,0,0,0,0,0|0,0,2]=4 351 B9R0.39 CC(=N)N[C@@H](CO)C(=O)O Amb27192588 [2,0,0,0,0,0|1,1,0]=4 352 B9R0.39 CC(=O)NC(CCl)C(=O)O Amb27494110 [2,0,0,0,0,0|1,0,0]=3 353 B9R0.39 CC(=O)NC(CN)C(=O)O Amb28128874 [2,0,0,0,0,0|1,0,0]=3 354 B9R0.39 CC(=O)NC(CO)C(=O)O Amb1115493 [2,0,0,0,0,0|0,1,0]=3 355 B9R0.39 CC(=O)NC(CO)C(N)=O Amb4018749 [2,0,0,0,0,0|1,1,0]=4 356 B9R0.39 CC(=O)NC(CS)C(=O)O Amb1112748 [2,0,0,0,0,0|0,0,0]=2 357 B9R0.39 CC(=O)NC(CS)C(N)=O Amb24482241 [2,0,0,0,0,0|1,0,0]=3 358 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O Amb22746917 [2,0,0,0,0,0|0,1,0]=3 359 B9R0.39 CC(=O)N[C@@H](CO)C(N)=O Amb28461160 [2,0,0,0,0,0|1,1,0]=4 360 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Amb2684240 [2,0,0,0,0,0|0,0,0]=2 361 B9R0.39 CC(=O)N[C@@H](CS)C(N)=O Amb24183864 [2,0,0,0,0,0|1,0,0]=3 362 B9R0.39 CC(=O)N[C@H](CCl)C(=O)O Amb27171775 [2,0,0,0,0,0|1,0,0]=3 363 B9R0.39 CC(=O)N[C@H](CS)C(=O)O Amb25887589 [2,0,0,0,0,0|0,0,0]=2 364 B9R0.39 CC(=O)N[C@H](CS)C(N)=O Amb27232938 [2,0,0,0,0,0|1,0,0]=3 365 B9R0.39 CC(=O)OC(CCl)C(=O)O Amb27796012 [2,0,0,0,0,0|2,0,0]=4 366 B9R0.39 CC(=O)O[C@@H](CN)C(=O)O Amb27874054 [2,0,0,0,0,0|2,0,0]=4 367 B9R0.39 CC(C)NC(CS)C(=O)O Amb27233014 [2,0,0,0,0,0|1,0,1]=4 368 B9R0.39 CC(C)N[C@@H](CS)C(=O)O Amb25299344 [2,0,0,0,0,0|1,0,1]=4 369 B9R0.39 CC(N)NC(CS)C(=O)O Amb27792112 [2,0,0,0,0,0|1,0,1]=4 370 B9R0.39 CCC(CC(=O)O)C(=O)O Amb10071696 [2,0,0,0,0,0|2,0,0]=4 371 B9R0.39 CCC(CC(C)=O)C(=O)O Amb18644109 [2,0,0,0,0,0|1,0,0]=3 372 B9R0.39 CCC(CC(C)=O)C(C)=O Amb27403023 [2,0,0,0,0,0|2,0,0]=4 373 B9R0.39 CCC(NC(C)=O)C(=O)O Amb2099651 [2,0,0,0,0,0|0,0,0]=2 374 B9R0.39 CCC(NC(C)=O)C(C)=O Amb28348733 [2,0,0,0,0,0|1,0,0]=3 375 B9R0.39 CCC(NC(C)C)C(=O)O Amb28555426 [2,0,0,0,0,0|1,0,1]=4 376 B9R0.39 CCC(NC(C)C)C(=O)O Amb9620437 [2,0,0,0,0,0|1,0,1]=4 377 B9R0.39 CCC(NC(N)=O)C(=O)O Amb435947 [2,0,0,0,0,0|1,0,0]=3 378 B9R0.39 CCC(OC(C)=O)C(=O)Cl Amb28059233 [2,0,0,0,0,0|2,0,0]=4 379 B9R0.39 CCC(OC(C)=O)C(N)=O Amb25274332 [2,0,0,0,0,0|2,0,0]=4 380 B9R0.39 CCC(OC(N)=O)C(=O)O Amb28283574 [2,0,0,0,0,0|2,0,0]=4 381 B9R0.39 CC[C@@H](CC(=O)O)C(=O)O Amb27830576 [2,0,0,0,0,0|2,0,0]=4 382 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O Amb3941467 [2,0,0,0,0,0|0,0,0]=2 383 B9R0.39 CC[C@H](CC(=O)O)C(=O)O Amb24643194 [2,0,0,0,0,0|2,0,0]=4 384 B9R0.39 CC[C@H](NC(C)=O)C(=O)O Amb3990111 [2,0,0,0,0,0|0,0,0]=2 385 B9R0.39 CC[C@H](OC(C)=O)C(=O)O Amb27948340 [2,0,0,0,0,0|1,0,0]=3 386 B9R0.39 CS(=O)NC(CO)C(=O)O Amb28193924 [2,0,0,0,0,0|1,1,0]=4 387 B9R0.39 CSC(CC(=O)O)C(=O)O Amb18646024 [2,0,0,0,0,0|2,0,0]=4 388 B9R0.39 C\C=C(\NC(C)=O)C(=O)O Amb27781271 [2,0,0,0,0,0|0,0,2]=4 389 B9R0.39 N=C(N)NC(CS)C(=O)O Amb24711320 [2,0,0,0,0,0|2,0,0]=4 390 B9R0.39 NC(=O)NC(CF)C(=O)O Amb28187932 [2,0,0,0,0,0|2,0,0]=4 391 B9R0.39 NC(=O)NC(CO)C(=O)O Amb1055147 [2,0,0,0,0,0|1,1,0]=4 392 B9R0.39 NC(=O)NC(CS)C(=O)O Amb1119403 [2,0,0,0,0,0|1,0,0]=3 393 B9R0.39 NC(=O)N[C@@H](CF)C(=O)O Amb26454171 [2,0,0,0,0,0|2,0,0]=4 394 B9R0.39 NC(=O)N[C@@H](CS)C(=O)O Amb17610484 [2,0,0,0,0,0|1,0,0]=3 395 B9R0.4 C=C(C)CC(O)CCSC Amb27805568 [2,0,0,0,0,0|2,0,0]=4 396 B9R0.4 CCCCC(C)NC(C)=O Amb27487886 [2,0,0,0,0,0|1,0,1]=4 397 B9R0.4 CCCCC(O)CC(C)=O Amb28325992 [2,0,0,0,0,0|2,0,0]=4 398 B9R0.4 CCCC[C@H](C)NC(C)=O Amb27173638 [2,0,0,0,0,0|1,0,1]=4 399 B9R0.4 CSCCC(C)NC(C)=O Amb27868995 [2,0,0,0,0,0|0,0,1]=3 400 B9R0.4 CSCCC(O)CC(=O)O Amb18798349 [2,0,0,0,0,0|2,0,0]=4 401 B9R0.4 CSCC[C@@H](O)CC(=O)O Amb33198734 [2,0,0,0,0,0|2,0,0]=4 402 B9R0.4 CSCC[C@H](O)CC(=O)O Amb33198733 [2,0,0,0,0,0|2,0,0]=4 403 B9R0.40 CCOC(C=O)CCSC Amb27955424 [2,0,0,0,0,0|1,0,1]=4 404 B9R0.40 COCCC(CO)NC=O Amb27433889 [2,0,0,0,0,0|0,1,1]=4 405 B9R0.13 C=CC(CCCC)C(=O)O Amb27759693 [2,0,0,0,0,0|1,0,1]=4 406 B9R0.13 C=C[C@@H](CCCC)C(=O)O Amb28050245 [2,0,0,0,0,0|1,0,1]=4 407 B9R0.13 C=C[C@H](CCCC)C(=O)O Amb27838910 [2,0,0,0,0,0|1,0,1]=4 408 B9R0.13 CCC(CCOC)C(=O)O Amb25289946 [2,0,0,0,0,0|0,1,1]=4 409 B9R0.13 CCC(CCSC)C(=O)O Amb24373794 [2,0,0,0,0,0|0,0,1]=3 410 B9R0.13 CCCCC(CC)C(=O)O Amb3939821 [2,0,0,0,0,0|1,0,1]=4 411 B9R0.13 CCCCC(NC)C(=O)O Amb24116642 [2,0,0,0,0,0|1,0,0]=3 412 B9R0.13 CCCCC(NC)C(N)=O Amb24116641 [2,0,0,0,0,0|2,0,0]=4 413 B9R0.13 CCCCC(NCl)C(=O)O Amb27863591 [2,0,0,0,0,0|2,0,0]=4 414 B9R0.13 CCCCC(NN)C(=O)O Amb18644274 [2,0,0,0,0,0|2,0,0]=4 415 B9R0.13 CCCCC(NO)C(=O)O Amb27619251 [2,0,0,0,0,0|1,0,1]=4 416 B9R0.13 CCCCC(OC)C(=O)O Amb25889001 [2,0,0,0,0,0|2,0,0]=4 417 B9R0.13 CCCC[C@@H](CC)C(=O)O Amb28398235 [2,0,0,0,0,0|1,0,1]=4 418 B9R0.13 CCCC[C@@H](NC)C(=O)O Amb22799980 [2,0,0,0,0,0|1,0,0]=3 419 B9R0.13 CCCC[C@@H](NO)C(=O)O Amb27162541 [2,0,0,0,0,0|1,0,1]=4 420 B9R0.13 CCCC[C@H](CC)C(=O)O Amb24671282 [2,0,0,0,0,0|1,0,1]=4 421 B9R0.13 CCCC[C@H](NC)C(=O)O Amb25887554 [2,0,0,0,0,0|1,0,0]=3 422 B9R0.13 CCCC[C@H](NC)C(N)=O Amb27264530 [2,0,0,0,0,0|2,0,0]=4 423 B9R0.13 CCOC[C@H](NC)C(=O)O Amb33347475 [2,0,0,0,0,0|2,0,0]=4 424 B9R0.13 CNC(CCCN)C(=O)O Amb18644280 [2,0,0,0,0,0|2,0,0]=4 425 B9R0.13 CNC(CCSC)C(=O)O Amb18792506 [2,0,0,0,0,0|0,0,0]=2 426 B9R0.13 CNC(CCSC)C(N)=O Amb18792442 [2,0,0,0,0,0|1,0,0]=3 427 B9R0.13 CN[C@@H](CCOC)C(N)=O Amb27175032 [2,0,0,0,0,0|1,1,0]=4 428 B9R0.13 CN[C@@H](CCSC)C(=O)O Amb26844419 [2,0,0,0,0,0|0,0,0]=2 429 B9R0.13 CN[C@H](CCCN)C(=O)O Amb28060751 [2,0,0,0,0,0|2,0,0]=4 430 B9R0.13 CN[C@H](CCSC)C(=O)O Amb27974159 [2,0,0,0,0,0|0,0,0]=2 431 B9R0.13 COC(CCSC)C(=O)O Amb28288804 [2,0,0,0,0,0|1,0,0]=3 432 B9R0.13 COCCC(OC)C(=O)O Amb33428673 [2,0,0,0,0,0|1,1,0]=4 433 B9R0.13 CSCCC(CN)C(=O)O Amb24618199 [2,0,0,0,0,0|1,0,1]=4 434 B9R0.13 CSCCC(NCl)C(=O)O Amb27635192 [2,0,0,0,0,0|1,0,0]=3 435 B9R0.13 CSCCC(NF)C(=O)O Amb27233599 [2,0,0,0,0,0|1,0,0]=3 436 B9R0.13 CSCC[C@@H](CN)C(=O)O Amb28458297 [2,0,0,0,0,0|1,0,1]=4 437 B11R0.16 CCCC(NS(C)(=O)=O)C(=O)O Amb9495872 [1,1,0,0,0,0|1,0,0]=3 438 B11R0.32 C=C(C)CC(NC(C)=O)C(=O)O Amb6334605 [1,1,0,0,0,0|0,0,1]=3 439 B11R0.32 C=C(C)C[C@H](NC(C)=O)C(=O)O Amb22801708 [1,1,0,0,0,0|0,0,1]=3 440 B11R0.32 C=C(Cl)CC(NC(C)=O)C(=O)O Amb33065887 [1,1,0,0,0,0|0,0,2]=4 441 B11R0.32 CC(=O)CC(NC(C)=O)C(=O)O Amb32679425 [1,1,0,0,0,0|0,0,1]=3 442 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O Amb3499381 [1,1,0,0,0,0|0,1,1]=4 443 B11R0.32 CC(=O)NC(CC(C)C)C(=O)O Amb2543580 [1,1,0,0,0,0|0,0,0]=2 444 B11R0.32 CC(=O)NC(CC(C)C)C(C)=O Amb17594289 [1,1,0,0,0,0|1,0,0]=3 445 B11R0.32 CC(=O)NC(CC(C)O)C(=O)O Amb33308548 [1,1,0,0,0,0|0,0,0]=2 446 B11R0.32 CC(=O)NC(CC(F)F)C(=O)O Amb33042687 [1,1,0,0,0,0|1,0,0]=3 447 B11R0.32 CC(=O)NC(CC(N)=O)C(=O)O Amb1118662 [1,1,0,0,0,0|0,1,1]=4 448 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O Amb8628593 [1,1,0,0,0,0|0,1,1]=4 449 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)O Amb2722946 [1,1,0,0,0,0|0,0,0]=2 450 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(N)=O Amb4006834 [1,1,0,0,0,0|1,0,0]=3 451 B11R0.32 CC(=O)N[C@@H](CC(N)=O)C(=O)O Amb2755870 [1,1,0,0,0,0|0,1,1]=4 452 B11R0.32 CC(=O)N[C@H](CC(C)C)C(=O)O Amb2732384 [1,1,0,0,0,0|0,0,0]=2 453 B11R0.32 CC(=O)N[C@H](CC(N)=O)C(=O)O Amb2732381 [1,1,0,0,0,0|0,1,1]=4 454 B11R0.32 CC(C)CC(CC(=O)O)C(=O)O Amb33072394 [1,1,0,0,0,0|2,0,0]=4 455 B11R0.32 CC(C)CC(NC(C)C)C(=O)O Amb33446957 [1,1,0,0,0,0|1,0,1]=4 456 B11R0.32 CC(C)CC(NC(C)C)C(=O)O Amb9620425 [1,1,0,0,0,0|1,0,1]=4 457 B11R0.32 CC(C)CC(NC(N)=O)C(=O)O Amb1150066 [1,1,0,0,0,0|1,0,0]=3 458 B11R0.39 CC(=O)NC(CCS)C(=O)NN Amb22735120 [1,1,0,0,0,0|1,0,0]=3 459 B11R0.39 COC(=O)C(CCBr)OC(C)=O Amb30588583 [1,1,0,0,0,0|2,0,0]=4 460 B11R0.39 COC(=O)C(CCBr)SC(C)=O Amb32412857 [1,1,0,0,0,0|2,0,0]=4 461 B11R0.44 CCCC(C(=O)O)C(O)C(=O)O Amb33041388 [1,1,0,0,0,0|2,0,0]=4 462 B11R0.115 C#CC(C)C(NC(C)=O)C(=O)O Amb27816267 [1,1,0,0,0,0|0,0,2]=4 463 B11R0.115 C=CC(C)C(NC(C)=O)C(=O)O Amb33308641 [1,1,0,0,0,0|0,0,2]=4 464 B11R0.115 CC(=O)NC(C(=O)O)C(C)C#N Amb33065636 [1,1,0,0,0,0|1,0,1]=4 465 B11R0.115 CC(=O)NC(C(=O)O)C(C)CO Amb33065442 [1,1,0,0,0,0|0,1,0]=3 466 B11R0.115 CCC(C)C(CC(=O)O)C(=O)O Amb33449650 [1,1,0,0,0,0|2,0,0]=4 467 B11R0.115 CCC(C)C(NC(C)=O)C(=O)O Amb9706300 [1,1,0,0,0,0|0,0,0]=2 468 B11R0.115 CCC(C)C(NC(N)=O)C(=O)O Amb9745677 [1,1,0,0,0,0|1,0,0]=3 469 B11R0.115 CCC(C)[C@H](NC(C)=O)C(=O)O Amb33523725 [1,1,0,0,0,0|0,0,0]=2 470 B11R0.115 CC[C@H](C)[C@@H](NC(C)=O)C(=O)O Amb22230215 [1,1,0,0,0,0|0,0,0]=2 471 B11R0.115 CC[C@H](C)[C@H](NC(C)=O)C(=O)O Amb3939886 [1,1,0,0,0,0|0,0,0]=2 472 B11R0.115 CC[C@H](C)[C@H](NC(C)=O)C(N)=O Amb31291748 [1,1,0,0,0,0|1,0,0]=3 473 B11R0.115 CC\C(C)=C(/NC(C)=O)C(=O)O Amb27634857 [1,1,0,0,0,0|0,0,2]=4 474 B11R0.115 COC(C)C(NC(C)=O)C(=O)O Amb33036550 [1,1,0,0,0,0|0,1,0]=3 475 B11R0.181 CCCC(O)(CC(=O)O)C(=O)O Amb33346916 [1,1,0,0,0,0|2,0,0]=4 476 B11R0.236 C#CCC(NC(=O)NC)C(=O)O Amb27202159 [1,1,0,0,0,0|0,0,2]=4 477 B11R0.236 CCCC(NC(=O)CC)C(=O)O Amb9494928 [1,1,0,0,0,0|0,0,0]=2 478 B11R0.236 CCC[C@@H](NC(=O)CC)C(=O)O Amb32757138 [1,1,0,0,0,0|0,0,0]=2 479 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)O Amb32757125 [1,1,0,0,0,0|0,0,0]=2 480 B11R0.236 CCC[C@H](NC(=O)CCl)C(=O)O Amb2781696 [1,1,0,0,0,0|0,0,0]=2 481 B11R0.47 CSCCC(CC(=O)O)NC=O Amb32787472 [1,1,0,0,0,0|2,0,0]=4 482 B11R0.57 C=CCC(C)C(NC=O)C(=O)O Amb33065754 [1,1,0,0,0,0|1,0,1]=4 483 B11R0.57 CC(CC#N)C(NC=O)C(=O)O Amb33309011 [1,1,0,0,0,0|2,0,0]=4 484 B11R0.57 CCCC(C)C(NC=O)C(=O)O Amb33308621 [1,1,0,0,0,0|1,0,0]=3 485 B11R0.57 CCOC(C)C(NC=O)C(=O)O Amb33065732 [1,1,0,0,0,0|2,0,0]=4 486 B11R0.57 COCC(C)C(NC=O)C(=O)O Amb33066039 [1,1,0,0,0,0|0,1,0]=3 487 B11R0.78 C#CCCCC(NC=O)C(=O)O Amb33308688 [1,1,0,0,0,0|1,0,1]=4 488 B11R0.78 C=CCCCC(NC=O)C(=O)O Amb33036670 [1,1,0,0,0,0|1,0,1]=4 489 B11R0.78 C=CCOCC(NC=O)C(=O)O Amb33036701 [1,1,0,0,0,0|1,0,1]=4 490 B11R0.78 CC#CCCC(NC=O)C(=O)O Amb33308908 [1,1,0,0,0,0|1,0,0]=3 491 B11R0.78 CCCCCC(NC=O)C(=O)O Amb33065973 [1,1,0,0,0,0|1,0,0]=3 492 B11R0.78 CCCOCC(NC=O)C(=O)O Amb33066142 [1,1,0,0,0,0|1,0,0]=3 493 B11R0.78 CCOCCC(NC=O)C(=O)O Amb33065796 [1,1,0,0,0,0|0,1,0]=3 494 B11R0.78 CCSCCC(NC=O)C(=O)O Amb24325309 [1,1,0,0,0,0|0,0,0]=2 495 B11R0.78 COCCCC(NC=O)C(=O)O Amb32788600 [1,1,0,0,0,0|0,1,0]=3 496 B11R0.78 CSCCCC(NC=O)C(=O)O Amb33066297 [1,1,0,0,0,0|0,0,0]=2 497 B11R0.78 N#CCCCC(NC=O)C(=O)O Amb33036142 [1,1,0,0,0,0|1,0,1]=4 498 B11R0.78 O=CNC(CCCCF)C(=O)O Amb33065800 [1,1,0,0,0,0|1,0,0]=3 499 B11R0.78 O=CNC(CCCCO)C(=O)O Amb33036711 [1,1,0,0,0,0|1,0,0]=3 500 B11R0.146 C=C(C)CCC(NC=O)C(=O)O Amb33036842 [1,1,0,0,0,0|1,0,0]=3 501 B11R0.146 CC(=O)CCC(NC=O)C(=O)O Amb33309217 [1,1,0,0,0,0|1,0,0]=3 502 B11R0.146 CC(C)=CCC(NC=O)C(=O)O Amb33042689 [1,1,0,0,0,0|1,0,1]=4 503 B11R0.146 CC(C)CCC(NC=O)C(=O)O Amb33066147 [1,1,0,0,0,0|1,0,0]=3 504 B11R0.146 CC(C)OCC(NC=O)C(=O)O Amb33066115 [1,1,0,0,0,0|2,0,0]=4 505 B11R0.146 CC(O)CCC(NC=O)C(=O)O Amb33308944 [1,1,0,0,0,0|1,0,0]=3 506 B11R0.146 CN(C)CCC(NC=O)C(=O)O Amb33036865 [1,1,0,0,0,0|1,0,0]=3 507 B11R0.146 CS(=O)CCC(NC=O)C(=O)O Amb33065731 [1,1,0,0,0,0|0,0,1]=3 508 B11R0.153 CCCCCC(C(=O)O)C(=O)O Amb9786433 [0,1,0,0,1,0|2,0,0]=4 509 B13R0.160 C=C(C)C(=O)NC(CCSC)C(=O)O Amb17143686 [0,1,0,0,0,1|1,0,0]=3 510 B13R0.160 CSCCC(NC(=O)C(C)C)C(=O)O Amb1118290 [0,1,0,0,0,1|1,0,1]=4 511 B13R0.160 CSCCC(NC(=O)C(C)N)C(=O)O Amb533735 [0,1,0,0,0,1|1,0,1]=4 512 B13R0.160 CSCC[C@H](NC(=O)[C@H](C)N)C(=O)O Amb33804478 [0,1,0,0,0,1|1,0,1]=4 513 B13R0.160 CSCC[C@H](NC(=O)[C@H](C)N)C(=O)O Amb536882 [0,1,0,0,0,1|1,0,1]=4 514 B13R0.158 CCCCC(CC(=O)O)CC(=O)OC Amb33428078 [0,1,0,0,0,1|2,0,0]=4 515 B13R0.158 COC(=O)CC(CCSC)CC(=O)O Amb33203365 [0,1,0,0,0,1|1,0,0]=3 516 B13R0.158 COCCC(CC(=O)O)CC(=O)OC Amb33377340 [0,1,0,0,0,1|1,1,0]=4 517 B13R0.146 CNC(=O)[C@H](CCCCN)NC(C)=O Amb22801241 [0,2,0,0,0,0|2,0,0]=4 518 B13R0.146 COC(=O)[C@H](CCCCN)NC(C)=O Amb2719999 [0,2,0,0,0,0|1,0,0]=3 519 B13R0.281 CCCCCCC(NC(C)=O)C(=O)O Amb32660489 [0,2,0,0,0,0|1,0,0]=3 520 B13R0.432 CNC(=O)SC[C@@H](NC(C)=O)C(=O)O Amb33872313 [0,2,0,0,0,0|1,0,1]=4 521 B13R0.443 CC(=O)NC(CSCC(=O)O)C(=O)O Amb32668336 [0,2,0,0,0,0|2,0,0]=4 522 B13R0.443 CC(=O)N[C@@H](CSCC(=O)O)C(=O)O Amb32668767 [0,2,0,0,0,0|2,0,0]=4 523 B13R0.1306 CCCCC(NC(=O)NCC)C(=O)O Amb9329803 [0,2,0,0,0,0|1,0,0]=3 524 B13R0.1306 COCC(=O)NC(CCSC)C(=O)O Amb1118931 [0,2,0,0,0,0|0,0,0]=2 525 B13R0.1531 CCS(=O)(=O)NC(CCSC)C(=O)O Amb1153577 [0,2,0,0,0,0|1,0,0]=3 526 B13R0.253 COC(=O)[C@@H](CSC(C)=O)NC(C)=O Amb30621853 [0,2,0,0,0,0|2,0,0]=4 527 B13R0.253 COC(=O)[C@H](CCC(=O)O)NC(C)=O Amb22745968 [0,2,0,0,0,0|2,0,0]=4 528 B13R0.617 CC(=O)NC(C)(CCC(C)C)C(=O)O Amb23443355 [0,2,0,0,0,0|1,0,0]=3 529 B13R0.630 CC(=O)N[C@@H](COC(C)(C)C)C(=O)O Amb16182978 [0,2,0,0,0,0|2,0,0]=4 530 B13R0.200 COC(=O)C[C@H](NC(C)=O)C(=O)OC Amb22746781 [0,2,0,0,0,0|0,1,1]=4 531 B13R0.159 CCOC(=O)C(CCSC)NC(C)=O Amb2447007 [0,2,0,0,0,0|0,0,0]=2 532 B13R0.501 COCCC(C)(NC(C)=O)C(=O)OC Amb24122910 [0,2,0,0,0,0|0,1,0]=3 533 B11R1.49 CCC1CC(=O)CC1C(=O)O Amb27657710 [1,0,0,1,0,0|1,0,0]=3 534 B11R1.49 CCC1NC(=O)CC1C(=O)O Amb18200025 [1,0,0,1,0,0|2,0,0]=4 535 B11R1.49 CCC1NC(=O)NC1C(=O)O Amb28385625 [1,0,0,1,0,0|1,0,0]=3 536 B11R1.49 CCC1NC(=O)NC1C(N)=O Amb27670182 [1,0,0,1,0,0|2,0,0]=4 537 B11R1.49 CCN1CC(=O)CC1C(=O)O Amb25722959 [1,0,0,1,0,0|2,0,0]=4 538 B11R1.49 CC[C@@H]1CC(=O)N[C@H]1C(=O)O Amb25179312 [1,0,0,1,0,0|0,0,0]=2 539 B11R1.49 CC[C@@H]1NC(=O)C[C@H]1C(=O)O Amb27632492 [1,0,0,1,0,0|2,0,0]=4 540 B11R1.49 CC[C@H]1CC(=O)C[C@H]1C(=O)O Amb28144970 [1,0,0,1,0,0|1,0,0]=3 541 B11R1.49 CC[C@H]1CC(=O)N[C@@H]1C(=O)O Amb27421994 [1,0,0,1,0,0|0,0,0]=2 542 B11R1.74 CC(=O)C1CC(=O)CC(C)C1 Amb25937018 [1,0,0,1,0,0|2,0,0]=4 543 B11R1.74 CC1=CC(C(=O)O)CC(C)C1 Amb26585310 [1,0,0,1,0,0|2,0,0]=4 544 B11R1.74 CC1CC(=O)CC(C(=O)O)N1 Amb18200027 [1,0,0,1,0,0|2,0,0]=4 545 B11R1.74 CC1CC(=O)NC(C(=O)O)C1 Amb26352891 [1,0,0,1,0,0|0,0,0]=2 546 B11R1.74 CC1CC(C(=O)O)CC(=O)N1 Amb27628365 [1,0,0,1,0,0|2,0,0]=4 547 B11R1.74 CC1CC(C)NC(C(=O)O)C1 Amb24588101 [1,0,0,1,0,0|1,0,1]=4 548 B11R1.74 C[C@@H]1CC(=O)N[C@H](C(=O)O)C1 Amb28134065 [1,0,0,1,0,0|0,0,0]=2 549 B11R1.74 C[C@@H]1CC(=O)N[C@H](C(N)=O)C1 Amb27854487 [1,0,0,1,0,0|1,0,0]=3 550 B11R1.74 C[C@@H]1C[C@@H](C(=O)O)NC(=S)N1 Amb10608553 [1,0,0,1,0,0|1,1,0]=4 551 B11R1.74 C[C@H]1CC(=O)N[C@@H](C(=O)O)C1 Amb28284476 [1,0,0,1,0,0|0,0,0]=2 552 B11R1.74 C[C@H]1C[C@@H](C)N[C@@H](C(=O)O)C1 Amb28132155 [1,0,0,1,0,0|1,0,1]=4 553 B11R1.74 NC1CC(=O)NC(C(=O)O)C1 Amb18199921 [1,0,0,1,0,0|1,0,0]=3 554 B11R1.74 O=C1CC(=O)NC(C(=O)O)C1 Amb18200050 [1,0,0,1,0,0|0,1,1]=4 555 B11R1.74 O=C1CC(=O)N[C@H](C(=O)O)C1 Amb27985272 [1,0,0,1,0,0|0,1,1]=4 556 B11R1.74 O=C1CC(O)CC(C(=O)O)N1 Amb28077591 [1,0,0,1,0,0|0,1,0]=3 557 B11R1.74 O=C1CS(=O)CC(C(=O)O)N1 Amb27444598 [1,0,0,1,0,0|1,0,1]=4 558 B11R1.86 CC(=O)CC1CCCCC1=O Amb17593853 [1,0,0,1,0,0|2,0,0]=4 559 B11R1.86 CC(=O)NC1CCCCC1O Amb18797124 [1,0,0,1,0,0|1,0,1]=4 560 B11R1.86 CC(=O)N[C@H]1CCCC[C@H]1O Amb28320855 [1,0,0,1,0,0|1,0,1]=4 561 B11R1.86 CC(=O)N[C@H]1CCCNC1=O Amb27475880 [1,0,0,1,0,0|1,0,0]=3 562 B11R1.86 CC(=O)OC1CCCCC1=O Amb10576141 [1,0,0,1,0,0|2,0,0]=4 563 B11R1.86 CC(=O)O[C@@H]1CCCNC1=O Amb27655051 [1,0,0,1,0,0|2,0,0]=4 564 B11R1.86 CC(=O)O[C@H]1CCCNC1=O Amb27830801 [1,0,0,1,0,0|2,0,0]=4 565 B11R1.108 CC1CC(C(=O)O)C1C(=O)O Amb26595927 [1,0,0,1,0,0|2,0,0]=4 566 B11R1.151 CC(=O)OC1(C(N)=O)CC1C Amb26928970 [1,0,0,1,0,0|2,0,0]=4 567 B11R1.151 CC(=O)O[C@@]1(C(N)=O)C[C@@H]1C Amb27422061 [1,0,0,1,0,0|2,0,0]=4 568 B11R1.151 CC(=O)O[C@]1(C(N)=O)C[C@H]1C Amb27768014 [1,0,0,1,0,0|2,0,0]=4 569 B11R1.178 C=C(C)N1CCCC1C(=O)O Amb27176559 [1,0,0,1,0,0|1,0,0]=3 570 B11R1.178 CC(=O)C1CCCC1C(=O)O Amb28120981 [1,0,0,1,0,0|1,0,0]=3 571 B11R1.178 CC(=O)C1CCCC1C(C)=O Amb25792934 [1,0,0,1,0,0|2,0,0]=4 572 B11R1.178 CC(=O)C1CNCC1C(=O)O Amb2694843 [1,0,0,1,0,0|2,0,0]=4 573 B11R1.178 CC(=O)N1CC=CC1C(=O)O Amb28254452 [1,0,0,1,0,0|0,0,2]=4 574 B11R1.178 CC(=O)N1CCC=C1C(=O)O Amb27249478 [1,0,0,1,0,0|0,0,2]=4 575 B11R1.178 CC(=O)N1CCCC1C(=N)N Amb24509062 [1,0,0,1,0,0|2,0,0]=4 576 B11R1.178 CC(=O)N1CCCC1C(=O)O Amb9745654 [1,0,0,1,0,0|0,0,0]=2 577 B11R1.178 CC(=O)N1CCCC1C(C)O Amb27971076 [1,0,0,1,0,0|1,0,1]=4 578 B11R1.178 CC(=O)N1CCCC1C(N)=O Amb4013544 [1,0,0,1,0,0|1,0,0]=3 579 B11R1.178 CC(=O)N1CCCC1C(N)=S Amb26513658 [1,0,0,1,0,0|1,1,0]=4 580 B11R1.178 CC(=O)N1CCCN1C(C)=O Amb27596957 [1,0,0,1,0,0|2,0,0]=4 581 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O Amb10072246 [1,0,0,1,0,0|0,0,0]=2 582 B11R1.178 CC(=O)N1CCC[C@@H]1C(N)=O Amb22756686 [1,0,0,1,0,0|1,0,0]=3 583 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)Cl Amb27265756 [1,0,0,1,0,0|1,0,0]=3 584 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O Amb1154281 [1,0,0,1,0,0|0,0,0]=2 585 B11R1.178 CC(=O)N1CCC[C@H]1C(N)=O Amb8393632 [1,0,0,1,0,0|1,0,0]=3 586 B11R1.178 CC(=O)N1CCSC1C(=O)O Amb18647907 [1,0,0,1,0,0|1,0,0]=3 587 B11R1.178 CC(=O)N1COCC1C(=O)O Amb27237614 [1,0,0,1,0,0|0,1,0]=3 588 B11R1.178 CC(=O)N1CSCC1C(=O)O Amb9723702 [1,0,0,1,0,0|0,0,0]=2 589 B11R1.178 CC(=O)N1CSCC1C(N)=O Amb27662068 [1,0,0,1,0,0|1,0,0]=3 590 B11R1.178 CC(=O)N1CSC[C@@H]1C(=O)O Amb18795582 [1,0,0,1,0,0|0,0,0]=2 591 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)O Amb17608078 [1,0,0,1,0,0|0,0,0]=2 592 B11R1.178 CC(=O)[C@@H]1CCCN1C(C)=O Amb28422607 [1,0,0,1,0,0|1,0,0]=3 593 B11R1.178 CC(=O)[C@@H]1CCC[C@H]1C(C)=O Amb25270242 [1,0,0,1,0,0|2,0,0]=4 594 B11R1.178 CC(C)N1CCCC1C(=O)O Amb9300413 [1,0,0,1,0,0|1,0,1]=4 595 B11R1.178 CC(C)N1CCC[C@@H]1C(=O)O Amb22587572 [1,0,0,1,0,0|1,0,1]=4 596 B11R1.178 CC(C)N1CCC[C@@H]1C(=O)O Amb23385291 [1,0,0,1,0,0|1,0,1]=4 597 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O Amb10608520 [1,0,0,1,0,0|1,0,1]=4 598 B11R1.178 CS(=O)N1CCCC1C(=O)O Amb28195242 [1,0,0,1,0,0|1,0,0]=3 599 B11R1.178 CS(=O)N1CCC[C@H]1C(=O)O Amb27777985 [1,0,0,1,0,0|1,0,0]=3 600 B11R1.178 CS(=O)N1CSCC1C(=O)O Amb27220675 [1,0,0,1,0,0|1,0,0]=3 601 B11R1.178 C[C@@H](Cl)N1CCC[C@H]1C(=O)O Amb24564235 [1,0,0,1,0,0|1,0,1]=4 602 B11R1.178 C[C@H](Cl)N1CCC[C@H]1C(=O)O Amb26929670 [1,0,0,1,0,0|1,0,1]=4 603 B11R1.178 N=C(N)N1CCCC1C(=O)O Amb22330609 [1,0,0,1,0,0|2,0,0]=4 604 B11R1.178 N=C(N)N1CCC[C@@H]1C(=O)O Amb28342282 [1,0,0,1,0,0|2,0,0]=4 605 B11R1.178 N=C(N)N1CCC[C@H]1C(=O)O Amb22586483 [1,0,0,1,0,0|2,0,0]=4 606 B11R1.178 NC(=O)C1CCCC1C(=O)O Amb25714211 [1,0,0,1,0,0|2,0,0]=4 607 B11R1.178 NC(=O)C1CCCN1C(=O)Cl Amb28069587 [1,0,0,1,0,0|2,0,0]=4 608 B11R1.178 NC(=O)C1CCCN1C(N)=O Amb6751002 [1,0,0,1,0,0|2,0,0]=4 609 B11R1.178 NC(=O)N1CCCC1C(=O)Cl Amb27859012 [1,0,0,1,0,0|2,0,0]=4 610 B11R1.178 NC(=O)N1CCCC1C(=O)O Amb9745667 [1,0,0,1,0,0|1,0,0]=3 611 B11R1.178 NC(=O)N1CCC[C@@H]1C(=O)O Amb18787750 [1,0,0,1,0,0|1,0,0]=3 612 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)Cl Amb25921470 [1,0,0,1,0,0|2,0,0]=4 613 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O Amb6893269 [1,0,0,1,0,0|1,0,0]=3 614 B11R1.178 NC(=O)N1CSCC1C(=O)O Amb6263476 [1,0,0,1,0,0|1,0,0]=3 615 B11R1.178 NC(=O)[C@@H]1CCCN1C(=O)Cl Amb28284714 [1,0,0,1,0,0|2,0,0]=4 616 B11R1.178 NC(=O)[C@H]1CCCN1C(N)=O Amb27649102 [1,0,0,1,0,0|2,0,0]=4 617 B11R1.178 NC(=O)[C@H]1CCC[C@H]1C(=O)O Amb28142020 [1,0,0,1,0,0|2,0,0]=4 618 B11R1.178 O=C(O)C1CCCC1C(=O)Cl Amb27876458 [1,0,0,1,0,0|2,0,0]=4 619 B11R1.178 O=C(O)C1CCCC1C(=O)O Amb2732979 [1,0,0,1,0,0|2,0,0]=4 620 B11R1.178 O=C(O)C1CCCN1C(=O)O Amb24060622 [1,0,0,1,0,0|1,0,0]=3 621 B11R1.178 O=C(O)[C@@H]1CCCN1C(=O)Cl Amb24407327 [1,0,0,1,0,0|1,0,0]=3 622 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O Amb6299712 [1,0,0,1,0,0|2,0,0]=4 623 B11R1.178 O=C(O)[C@@H]1CSC[C@H]1C(=O)O Amb28193749 [1,0,0,1,0,0|2,0,0]=4 624 B11R1.178 O=C(O)[C@H]1CCCN1[N+](=O)[O-] Amb27214020 [1,0,0,1,0,0|2,0,0]=4 625 B11R1.178 O=C(O)[C@H]1CCC[C@H]1C(=O)O Amb13890829 [1,0,0,1,0,0|2,0,0]=4 626 B11R1.182 CCCC1NC(=O)CNC1=O Amb27248073 [1,0,0,1,0,0|1,0,0]=3 627 B11R1.182 CCC[C@H]1NC(=O)CC[C@@H]1O Amb28286997 [1,0,0,1,0,0|1,0,1]=4 628 B11R1.182 COCC1NC(=O)CNC1=O Amb27465149 [1,0,0,1,0,0|1,1,0]=4 629 B11R1.182 COC[C@@H]1NC(=O)CNC1=O Amb27815171 [1,0,0,1,0,0|1,1,0]=4 630 B11R1.182 O=C1CNC(=O)C(CCO)N1 Amb24564424 [1,0,0,1,0,0|1,1,0]=4 631 B11R1.182 O=C1CNC(=O)C(CCS)N1 Amb27850802 [1,0,0,1,0,0|1,0,0]=3 632 B11R1.182 O=C1CNC(=O)[C@H](CCBr)N1 Amb10601675 [1,0,0,1,0,0|2,0,0]=4 633 B11R1.182 O=C1NNC(=O)C(CCS)N1 Amb27823398 [1,0,0,1,0,0|2,0,0]=4 634 B11R1.497 CC(=O)C1CCCCC(=O)N1 Amb27873410 [1,0,0,1,0,0|1,0,0]=3 635 B11R1.497 CC1=NC(C(=O)O)CCCN1 Amb25807925 [1,0,0,1,0,0|1,0,1]=4 636 B11R1.497 CC1=NCCC[C@H](C(=O)O)N1 Amb27231815 [1,0,0,1,0,0|1,0,0]=3 637 B11R1.497 CC1=N[C@H](C(=O)O)CCCN1 Amb25060168 [1,0,0,1,0,0|1,0,1]=4 638 B11R1.497 NC(=O)C1CCCCC(=O)N1 Amb26852005 [1,0,0,1,0,0|1,0,0]=3 639 B11R1.497 NC(=O)C1CSCCC(=O)N1 Amb21943337 [1,0,0,1,0,0|1,0,0]=3 640 B11R1.497 O=C1CCCCC(C(=O)O)C1 Amb10603800 [1,0,0,1,0,0|1,0,0]=3 641 B11R1.497 O=C1CCCCC(C(=O)O)N1 Amb19515429 [1,0,0,1,0,0|0,0,0]=2 642 B11R1.497 O=C1CCOCC(C(=O)O)C1 Amb27414004 [1,0,0,1,0,0|1,1,0]=4 643 B11R1.497 O=C1CCOC[C@H](C(=O)O)N1 Amb27483038 [1,0,0,1,0,0|0,1,0]=3 644 B11R1.497 O=C1CCSCC(C(=O)O)N1 Amb21937059 [1,0,0,1,0,0|0,0,0]=2 645 B11R1.497 O=C1CCSCC(C(O)O)N1 Amb27646488 [1,0,0,1,0,0|0,0,2]=4 646 B11R1.497 O=C1NCCCC(C(=O)O)N1 Amb27657613 [1,0,0,1,0,0|1,0,0]=3 647 B11R1.497 O=C1NCCC[C@H](C(=O)O)N1 Amb27803711 [1,0,0,1,0,0|1,0,0]=3 648 B11R1.596 CCCC1C(=O)OC1C(=O)O Amb27793087 [1,0,0,1,0,0|2,0,0]=4 649 B11R1.596 CCC[C@H]1C(=O)O[C@@H]1C(=O)O Amb27657741 [1,0,0,1,0,0|2,0,0]=4 650 B11R1.645 CC(=O)NC1CC(=O)OC1=O Amb19664157 [1,0,0,1,0,0|0,1,1]=4 651 B11R1.645 CC(=O)NC1CC(C)NC1=O Amb27403452 [1,0,0,1,0,0|1,0,0]=3 652 B11R1.645 CC(=O)NC1CC(C)OC1=O Amb27597010 [1,0,0,1,0,0|0,0,0]=2 653 B11R1.645 CC(=O)N[C@@H]1C[C@@H](C)OC1O Amb28193800 [1,0,0,1,0,0|0,0,2]=4 654 B11R1.645 CC(=O)N[C@H]1CC(=O)OC1=O Amb22737462 [1,0,0,1,0,0|0,1,1]=4 655 B11R1.645 CC(=O)N[C@H]1C[C@@H](C)OC1=O Amb28052689 [1,0,0,1,0,0|0,0,0]=2 656 B11R1.645 CC(=O)OC1CC(C)NC1=O Amb28292684 [1,0,0,1,0,0|2,0,0]=4 657 B11R1.645 CC(C)NC1CC(C)OC1=O Amb27840174 [1,0,0,1,0,0|1,0,1]=4 658 B11R1.730 CC1(C)CSC[C@@H](C(=O)O)N1 Amb28142682 [1,0,0,1,0,0|1,0,1]=4 659 B11R1.782 CCCC1(C(=O)O)CC(=O)C1 Amb33374800 [1,0,0,1,0,0|1,0,0]=3 660 B11R1.782 CCSC1(C(=O)O)CC(=O)C1 Amb27470440 [1,0,0,1,0,0|2,0,0]=4 661 B11R1.782 COCC1(C(=O)O)CC(=O)C1 Amb33429411 [1,0,0,1,0,0|1,1,0]=4 662 B11R1.782 CSCC1(C(=O)O)CC(=O)C1 Amb33269654 [1,0,0,1,0,0|1,0,0]=3 663 B11R1.782 O=C1CC(CCF)(C(=O)O)C1 Amb33195740 [1,0,0,1,0,0|2,0,0]=4 664 B11R1.925 CC(=O)NC(C(=O)O)C1CC1 Amb18300436 [1,0,0,1,0,0|0,0,0]=2 665 B11R1.925 CS(=O)NC(C(=O)O)C1CC1 Amb27272518 [1,0,0,1,0,0|1,0,0]=3 666 B11R1.925 O=C(O)CC(C(=O)O)C1CC1 Amb27990116 [1,0,0,1,0,0|2,0,0]=4 667 B11R1.929 CC(=O)CC1(C(=O)O)CCC1 Amb25893452 [1,0,0,1,0,0|1,0,0]=3 668 B11R1.929 CC(=O)CC1(C(N)=O)CCC1 Amb27853639 [1,0,0,1,0,0|2,0,0]=4 669 B11R1.929 CC(=O)NC1(C(N)=O)CNC1 Amb27471171 [1,0,0,1,0,0|2,0,0]=4 670 B11R1.929 NC(=O)CC1(C(=O)O)CCC1 Amb28367169 [1,0,0,1,0,0|2,0,0]=4 671 B11R1.20 CC(=O)NC1CCC(C)OC1 Amb29860494 [1,0,0,1,0,0|1,0,1]=4 672 B11R1.24 CCCC[C@H]1C=CCC(=O)N1 Amb27176608 [1,0,0,1,0,0|2,0,0]=4 673 B11R1.24 CSCCC1C=NNC(=O)N1 Amb27856141 [1,0,0,1,0,0|2,0,0]=4 674 B11R1.24 CSCCC1CNCC(=O)N1 Amb27975683 [1,0,0,1,0,0|1,0,1]=4 675 B11R1.43 CCC1CC(NC(C)=O)CO1 Amb35614712 [1,0,0,1,0,0|1,0,1]=4 676 B11R1.53 C=CC1CCCCN1C(C)=O Amb26880396 [1,0,0,1,0,0|2,0,0]=4 677 B11R1.53 CC(=O)N1CCCCC1CO Amb9277476 [1,0,0,1,0,0|1,0,1]=4 678 B11R1.53 CC(=O)N1CCCC[C@@H]1CO Amb25829477 [1,0,0,1,0,0|1,0,1]=4 679 B11R1.53 CC(=O)N1CCCC[C@H]1CO Amb25268937 [1,0,0,1,0,0|1,0,1]=4 680 B11R1.53 CC(=O)[C@H]1CCCC[C@@H]1C=O Amb27789881 [1,0,0,1,0,0|2,0,0]=4 681 B11R1.183 CSCC1OC(=O)NC1CO Amb27173731 [1,0,0,1,0,0|1,0,1]=4 682 B11R1.183 CSC[C@@H]1OC(=O)N[C@H]1CO Amb27222866 [1,0,0,1,0,0|1,0,1]=4 683 B11R1.230 CCCCC1NC(=O)CC1=O Amb35711627 [1,0,0,1,0,0|1,0,0]=3 684 B11R1.230 CCCCC1NC(=O)NC1=O Amb9330281 [1,0,0,1,0,0|2,0,0]=4 685 B11R1.230 CCCCC1NC(=O)OC1=O Amb27754115 [1,0,0,1,0,0|2,0,0]=4 686 B11R1.230 CCCC[C@@H]1NC(=O)OC1=O Amb33624536 [1,0,0,1,0,0|2,0,0]=4 687 B11R1.230 CSCCC1CC(=O)OC1=O Amb33203368 [1,0,0,1,0,0|2,0,0]=4 688 B11R1.230 CSCCC1NC(=O)N=C1O Amb22579144 [1,0,0,1,0,0|1,0,0]=3 689 B11R1.230 CSCCC1NC(=O)NC1=O Amb1105494 [1,0,0,1,0,0|1,0,0]=3 690 B11R1.230 CSCCC1NC(=O)OC1=O Amb9826941 [1,0,0,1,0,0|1,0,0]=3 691 B11R1.230 CSCCC1NC(=S)SC1=O Amb28071100 [1,0,0,1,0,0|1,1,0]=4 692 B11R1.230 CSCCC1OC(=O)NC1=O Amb28368269 [1,0,0,1,0,0|2,0,0]=4 693 B11R1.230 CSCCN1CC(=O)CC1=O Amb27945644 [1,0,0,1,0,0|2,0,0]=4 694 B11R1.230 CSCC[C@@H]1NC(=O)CC1=O Amb18197918 [1,0,0,1,0,0|0,0,0]=2 695 B11R1.230 CSCC[C@@H]1NC(=O)OC1=O Amb28250006 [1,0,0,1,0,0|1,0,0]=3 696 B11R1.245 C=CC1CCCCCC(=O)N1 Amb28290513 [1,0,0,1,0,0|2,0,0]=4 697 B11R1.313 CC(=N)NC1CCN(C)C1=O Amb27955047 [1,0,0,1,0,0|2,0,0]=4 698 B11R1.313 CC(=O)CC1CCC(C)C1=O Amb22342539 [1,0,0,1,0,0|2,0,0]=4 699 B11R1.313 CC(=O)C[C@H]1CC[C@H](C)C1=O Amb28057442 [1,0,0,1,0,0|2,0,0]=4 700 B11R1.398 CC(=O)NC1(CO)CCC1C Amb28367716 [1,0,0,1,0,0|1,0,1]=4 701 B11R1.471 CC(=O)N1C(C)CCC1CO Amb26601700 [1,0,0,1,0,0|1,0,1]=4 702 B11R1.471 CC(=O)N1[C@@H](C)CC[C@@H]1CO Amb27978512 [1,0,0,1,0,0|1,0,1]=4 703 B11R1.471 CC(=O)N1[C@@H](C)CC[C@H]1CO Amb28250207 [1,0,0,1,0,0|1,0,1]=4 704 B11R1.471 CC(=O)N1[C@H](C)CC[C@@H]1CO Amb27767852 [1,0,0,1,0,0|1,0,1]=4 705 B11R1.742 CC(=O)NC1CCCSCC1 Amb35691520 [1,0,0,1,0,0|1,0,1]=4 706 B11R1.1032 CC(=O)NC(CO)CC1CC1 Amb27270357 [1,0,0,1,0,0|1,0,1]=4 707 B11R1.1062 CC(=O)CC1(C=O)CCCC1 Amb28208364 [1,0,0,1,0,0|2,0,0]=4 708 B11R1.21 CC1=C(C)CC(C(=O)O)CC1 Amb7088978 [1,0,0,1,0,0|2,0,0]=4 709 B11R1.21 CC1=C(C)C[C@@H](C(=O)O)CC1 Amb24432806 [1,0,0,1,0,0|2,0,0]=4 710 B11R1.21 CC1CCC(C(=O)O)NC1C Amb27862874 [1,0,0,1,0,0|1,0,1]=4 711 B11R1.21 CC1CCC(C(=O)O)NC1C Amb28594270 [1,0,0,1,0,0|1,0,1]=4 712 B11R1.21 CC1SCC(C(=O)O)NC1=O Amb23590306 [1,0,0,1,0,0|2,0,0]=4 713 B11R1.21 CN1CCC(C(=O)O)CC1=O Amb6892357 [1,0,0,1,0,0|2,0,0]=4 714 B11R1.48 CCN1CC(C(=O)O)NC1=O Amb25920920 [1,0,0,1,0,0|2,0,0]=4 715 B11R1.48 O=C1N[C@H](C(=O)O)C[C@@H]1CF Amb28320761 [1,0,0,1,0,0|2,0,0]=4 716 B11R1.64 CC1SC[C@@H](C(=O)O)N1C=O Amb27401997 [1,0,0,1,0,0|2,0,0]=4 717 B11R1.193 CCCC1CCNC1C(=O)O Amb25241187 [1,0,0,1,0,0|1,0,1]=4 718 B11R1.193 CCCC1CCNC1C(=O)O Amb28652947 [1,0,0,1,0,0|1,0,1]=4 719 B11R1.193 CCCC1CCN[C@@H]1C(=O)O Amb28340938 [1,0,0,1,0,0|1,0,1]=4 720 B11R1.193 CCC[C@@H]1CCN[C@H]1C(=O)O Amb26452406 [1,0,0,1,0,0|1,0,1]=4 721 B11R1.266 CCC1CCNC(C(=O)O)C1 Amb18830613 [1,0,0,1,0,0|1,0,1]=4 722 B11R1.266 CCC1CCNC(C(=O)O)C1 Amb33338905 [1,0,0,1,0,0|1,0,1]=4 723 B11R1.266 CC[C@@H]1CCN[C@H](C(=O)O)C1 Amb27421998 [1,0,0,1,0,0|1,0,1]=4 724 B11R1.266 CC[C@H]1CCN[C@@H](C(=O)O)C1 Amb25937982 [1,0,0,1,0,0|1,0,1]=4 725 B11R1.266 CC[C@H]1CCN[C@@H](C(=O)O)C1 Amb33338984 [1,0,0,1,0,0|1,0,1]=4 726 B11R1.266 CO[C@H]1CCN[C@@H](C(=O)O)C1 Amb27984982 [1,0,0,1,0,0|0,1,1]=4 727 B11R1.266 CSC1CCCC(C(=O)O)C1 Amb28322463 [1,0,0,1,0,0|1,0,1]=4 728 B11R1.565 CC1CCNC(C(=O)O)CC1 Amb27441897 [1,0,0,1,0,0|1,0,1]=4 729 B11R1.565 CN1CCNC(C(=O)O)CC1 Amb27246780 [1,0,0,1,0,0|1,0,1]=4 730 B11R1.706 O=C(O)C1C=CCCCCC1 Amb27401809 [1,0,0,1,0,0|2,0,0]=4 731 B11R1.706 O=C(O)C1CCCCCCN1 Amb27760420 [1,0,0,1,0,0|1,0,1]=4 732 B11R1.706 O=C(O)C1CCCCCCN1 Amb28652940 [1,0,0,1,0,0|1,0,1]=4 733 B11R1.760 O=CNC(C(=O)O)C1CCC1 Amb26889263 [1,0,0,1,0,0|1,0,0]=3 734 B11R1.760 O=CNC(C(=O)O)C1COC1 Amb33066228 [1,0,0,1,0,0|0,1,0]=3 735 B11R1.905 CSCCC1(C(=O)O)CCC1 Amb27271788 [1,0,0,1,0,0|1,0,1]=4 736 B11R1.1239 N#CNC1(C(=O)O)CCSC1 Amb30031322 [1,0,0,1,0,0|1,0,1]=4 737 B11R1.1239 O=CNC1(C(=O)O)CCCC1 Amb18951589 [1,0,0,1,0,0|1,0,0]=3 738 B11R1.50 CC(=O)C1CC(CCl)OC1=O Amb17594497 [0,0,0,1,1,0|2,0,0]=4 739 B11R1.50 CCC1CC(C(C)=O)C(=O)O1 Amb23455751 [0,0,0,1,1,0|1,0,0]=3 740 B11R1.50 CC[C@@H]1C[C@@H](C(C)=O)C(=O)O1 Amb24546414 [0,0,0,1,1,0|1,0,0]=3 741 B11R1.50 CC[C@H]1C[C@@H](C(C)=O)C(=O)O1 Amb27974112 [0,0,0,1,1,0|1,0,0]=3 742 B11R1.143 CC(=O)C1CCCCCC1=O Amb18796759 [0,0,0,1,1,0|2,0,0]=4 743 B11R1.143 CC(=O)C1CCCCNC1=O Amb28041381 [0,0,0,1,1,0|2,0,0]=4 744 B11R1.143 CC(=O)C1CCCCOC1=O Amb24635386 [0,0,0,1,1,0|1,0,0]=3 745 B11R1.143 NC1CCSCCC1C(=O)O Amb28051654 [0,0,0,1,1,0|1,0,1]=4 746 B11R1.143 O=C(O)C1CCCCNC1=O Amb33803563 [0,0,0,1,1,0|2,0,0]=4 747 B11R1.166 CC(=O)C1CCC(C)OC1=O Amb28351551 [0,0,0,1,1,0|1,0,0]=3 748 B11R1.166 CC1CCC(C(=O)O)C(=O)N1 Amb24694827 [0,0,0,1,1,0|2,0,0]=4 749 B11R1.166 CC1CCC(C(=O)O)C(=O)O1 Amb27475565 [0,0,0,1,1,0|2,0,0]=4 750 B11R1.259 CCC1CC1(C(=O)O)C(=O)O Amb22741072 [0,0,0,1,1,0|2,0,0]=4 751 B11R1.465 CNCCN1C(=O)COC1=O Amb22642617 [0,0,0,1,1,0|2,0,0]=4 752 B11R1.465 CNCCN1C(=O)COC1=O Amb32662323 [0,0,0,1,1,0|2,0,0]=4 753 B11R1.465 CSCCC1C(=O)COC1C Amb29857033 [0,0,0,1,1,0|1,0,1]=4 754 B11R1.669 CC(=O)C1(C(C)=O)CCC1C Amb25347411 [0,0,0,1,1,0|2,0,0]=4 755 B11R1.721 O=C(O)C(C(=O)O)C1CCC1 Amb23452563 [0,0,0,1,1,0|2,0,0]=4 756 B11R1.1381 CC(=O)C(CC1CO1)C(C)=O Amb27672363 [0,0,0,1,1,0|1,1,0]=4 757 B11R1.1381 O=C(O)C(CC1CC1)C(=O)O Amb25379825 [0,0,0,1,1,0|2,0,0]=4 758 B11R1.1381 O=C(O)C(CC1CO1)C(=O)O Amb27990204 [0,0,0,1,1,0|1,1,0]=4 759 B11R1.1385 C=C(C)C1(C(=O)O)CCCC1 Amb26372578 [0,0,0,1,1,0|2,0,0]=4 760 B11R1.1385 CC(=O)C1(C(N)=O)CCCC1 Amb26929641 [0,0,0,1,1,0|2,0,0]=4 761 B11R1.1385 CN(C)C1(C(=O)O)CCSC1 Amb9669713 [0,0,0,1,1,0|2,0,0]=4 762 B11R1.1385 NC(=O)C1(C(=O)O)CCCC1 Amb21927516 [0,0,0,1,1,0|2,0,0]=4 763 B11R1.1385 O=C(O)C1(C(=O)O)CCCC1 Amb16230758 [0,0,0,1,1,0|2,0,0]=4 764 B13R1.13 CC(=O)N1CC(C(=O)O)CCC1C Amb28058058 [0,0,0,1,0,1|1,0,0]=3 765 B13R1.589 CC(=O)CC1CCCCC1C(=O)O Amb18129441 [0,0,0,1,0,1|2,0,0]=4 766 B13R1.589 CC(=O)C[C@@H]1CCCCC1C(=O)O Amb27210081 [0,0,0,1,0,1|2,0,0]=4 767 B13R1.589 CC(=O)NC1CCCCC1C(=O)O Amb27751066 [0,0,0,1,0,1|1,0,0]=3 768 B13R1.589 CC(=O)N[C@@H]1CCNC[C@@H]1C(=O)O Amb27448152 [0,0,0,1,0,1|2,0,0]=4 769 B13R1.589 CC(=O)N[C@H]1CCCC[C@H]1C(=O)O Amb28052103 [0,0,0,1,0,1|1,0,0]=3 770 B13R1.589 NC(=O)CN1CCCCC1C(=O)O Amb9299677 [0,0,0,1,0,1|2,0,0]=4 771 B13R1.589 NC(=O)NC1CCCCC1C(=O)O Amb27390251 [0,0,0,1,0,1|2,0,0]=4 772 B13R1.589 NC(=O)N[C@@H]1CCCC[C@@H]1C(=O)O Amb27201313 [0,0,0,1,0,1|2,0,0]=4 773 B13R1.589 NC(=O)N[C@H]1CCCC[C@@H]1C(=O)O Amb27974154 [0,0,0,1,0,1|2,0,0]=4 774 B13R1.589 O=C(O)CN1CCCCC1C(=O)O Amb17561089 [0,0,0,1,0,1|2,0,0]=4 775 B13R1.1060 CC(=O)N1CCCCC(C(=O)O)C1 Amb25843726 [0,0,0,1,0,1|1,0,0]=3 776 B13R1.1060 NC(=O)C1CCCCC(C(=O)O)N1 Amb27268405 [0,0,0,1,0,1|2,0,0]=4 777 B13R1.1060 NC(=O)[C@@H]1CCCC[C@H](C(=O)O)N1 Amb27662164 [0,0,0,1,0,1|2,0,0]=4 778 B13R1.8685 CC(=O)NCC1(C(=O)O)CCOC1 Amb32993177 [0,0,0,1,0,1|0,1,0]=3 779 B13R1.8685 CC(=O)NCC1(C(N)=O)CCCC1 Amb28319872 [0,0,0,1,0,1|2,0,0]=4 780 B13R1.8685 NC(=O)NCC1(C(=O)O)CCCC1 Amb28251910 [0,0,0,1,0,1|2,0,0]=4 781 B13R1.855 CC(=O)NC1(CC(=O)O)CCC1C Amb32787285 [0,0,0,1,0,1|1,0,0]=3 782 B13R1.3741 CC(=O)NC(CC(=O)O)C1CC1C Amb33255622 [0,0,0,1,0,1|1,0,0]=3 783 B13R1.3741 CC(=O)N[C@@H](CC(=O)O)C1CC1C Amb32787268 [0,0,0,1,0,1|1,0,0]=3 784 B13R1.3741 CC(=O)N[C@H](CC(=O)O)C1CC1C Amb33255018 [0,0,0,1,0,1|1,0,0]=3 785 B13R1.5121 CC(=O)NC(CC(=O)O)CC1CC1 Amb33254259 [0,0,0,1,0,1|1,0,0]=3 786 B13R1.5138 CC(=O)NC(CC(=O)O)C1CCC1 Amb33254908 [0,0,0,1,0,1|1,0,0]=3 787 B13R1.5138 CC(=O)N[C@@H](CC(=O)O)C1CCC1 Amb33254494 [0,0,0,1,0,1|1,0,0]=3 788 B13R1.5138 CC(=O)N[C@H](CC(=O)O)C1CCC1 Amb33255745 [0,0,0,1,0,1|1,0,0]=3 789 B13R1.8836 CC(=O)NC1(CC(=O)O)CCCC1 Amb27166859 [0,0,0,1,0,1|1,0,0]=3 790 B13R1.8836 CC(=O)NC1(CC(=O)O)CCNC1 Amb33255864 [0,0,0,1,0,1|1,0,0]=3 791 B13R1.8836 CC(=O)NC1(CC(=O)O)CCOC1 Amb33308204 [0,0,0,1,0,1|0,1,0]=3 792 B13R1.8836 CC(=O)NC1(CC(=O)O)CCSC1 Amb33254238 [0,0,0,1,0,1|0,0,0]=2 793 B13R1.8836 CC(=O)NC1(OC(C)=O)CCCC1 Amb25761935 [0,0,0,1,0,1|2,0,0]=4 794 B13R1.141 CCCC1CCC(=O)CC1C(=O)O Amb32867787 [0,1,0,1,0,0|2,0,0]=4 795 B13R1.295 CC(=O)N1CCCC(O)C1C(=O)O Amb28285645 [0,1,0,1,0,0|1,0,0]=3 796 B13R1.295 CC(=O)N1CCC[C@H](O)[C@H]1C(=O)O Amb28384081 [0,1,0,1,0,0|1,0,0]=3 797 B13R1.295 CC(=O)N1CCOC(C)C1C(=O)O Amb28043420 [0,1,0,1,0,0|2,0,0]=4 798 B13R1.1113 CC(=O)NC(C(=O)O)C1CCCC1 Amb463305 [0,1,0,1,0,0|1,0,0]=3 799 B13R1.1113 CC(=O)NC(C(=O)O)C1CCCO1 Amb24492226 [0,1,0,1,0,0|1,0,0]=3 800 B13R1.1113 CC(=O)NC(C(=O)O)C1CCOC1 Amb26366612 [0,1,0,1,0,0|0,1,0]=3 801 B13R1.1113 CC(=O)NC(C(=O)O)C1CCSC1 Amb27807117 [0,1,0,1,0,0|0,0,0]=2 802 B13R1.1113 CC(=O)NC(C(N)=O)C1CCCO1 Amb28065468 [0,1,0,1,0,0|2,0,0]=4 803 B13R1.1113 CC(=O)NC(C(N)=O)C1CCOC1 Amb27753568 [0,1,0,1,0,0|1,1,0]=4 804 B13R1.1113 CC(=O)N[C@@H](C(=O)O)C1CCCC1 Amb26421709 [0,1,0,1,0,0|1,0,0]=3 805 B13R1.1113 CC(=O)N[C@@H](C(=O)O)[C@H]1C=CCC1 Amb27637737 [0,1,0,1,0,0|1,0,1]=4 806 B13R1.1113 CC(=O)N[C@H](C(=O)O)C1CCCC1 Amb25331329 [0,1,0,1,0,0|1,0,0]=3 807 B13R1.1113 CC(=O)N[C@H](C(=O)O)[C@@H]1C=CCC1 Amb27659252 [0,1,0,1,0,0|1,0,1]=4 808 B13R1.1113 O=C(O)CC(C(=O)O)C1CCSC1 Amb33344982 [0,1,0,1,0,0|2,0,0]=4 809 B13R1.1555 CCCC(C)C1(C(=O)O)CC(=O)C1 Amb33320806 [0,1,0,1,0,0|2,0,0]=4 810 B13R1.3004 CC(=O)NC1C(=O)O[C@H](CO)[C@H]1O Amb27203365 [0,1,0,1,0,0|2,0,0]=4 811 B13R1.3004 CC(=O)N[C@@H]1C(=O)O[C@H](CO)[C@H]1O Amb27969070 [0,1,0,1,0,0|2,0,0]=4 812 B13R1.3004 CC(=O)N[C@H]1C(=O)O[C@@H](CO)[C@@H]1O Amb24513263 [0,1,0,1,0,0|2,0,0]=4 813 B13R1.3004 CC(=O)N[C@H]1C(=O)O[C@H](CO)[C@@H]1O Amb27853223 [0,1,0,1,0,0|2,0,0]=4 814 B13R1.3462 CC(=O)N1C(=O)CC(F)C1C(=O)O Amb28316662 [0,1,0,1,0,0|2,0,0]=4 815 B13R1.3770 CC(=O)NC1(C(=O)O)COCC1C Amb35646782 [0,1,0,1,0,0|0,1,0]=3 816 B13R1.3770 CC(=O)NC1(C(=O)O)CSCC1C Amb27590016 [0,1,0,1,0,0|0,0,0]=2 817 B13R1.3770 CC(C)NC1(C(=O)O)CSCC1C Amb28283949 [0,1,0,1,0,0|1,0,1]=4 818 B13R1.9143 CCCC1(C)CC(=O)NC1C(=O)O Amb27436404 [0,1,0,1,0,0|1,0,0]=3 819 B13R1.31 CCCN1CC(=O)CC(C(=O)O)C1 Amb26489120 [0,1,0,1,0,0|2,0,0]=4 820 B13R1.194 CC(=O)NC(C(=O)O)C1CCC1O Amb33036444 [0,1,0,1,0,0|1,0,0]=3 821 B13R1.1082 CC(=O)N1CCCCCC1C(=O)O Amb8631239 [0,1,0,1,0,0|1,0,0]=3 822 B13R1.3398 CCC1SCC(C(=O)O)N1C(C)=O Amb28351783 [0,1,0,1,0,0|1,0,0]=3 823 B13R1.3398 CCC1SCC(C(=O)O)N1C(N)=O Amb27836122 [0,1,0,1,0,0|2,0,0]=4 824 B13R1.3398 CCC1SC[C@@H](C(=O)O)N1C(C)=O Amb27797369 [0,1,0,1,0,0|1,0,0]=3 825 B13R1.3760 CC(=O)NC(CC1CC1C)C(=O)O Amb32937032 [0,1,0,1,0,0|1,0,0]=3 826 B13R1.8842 CC(=O)CC1(C(=O)O)CCNCC1 Amb33802948 [0,1,0,1,0,0|2,0,0]=4 827 B13R1.8842 CC(=O)NC1(C(=O)O)CCCCC1 Amb6262317 [0,1,0,1,0,0|1,0,0]=3 828 B13R1.8842 CC(=O)NC1(C(=O)O)CCNCC1 Amb24122884 [0,1,0,1,0,0|1,0,0]=3 829 B13R1.8842 CC(=O)NC1(C(N)=O)CCCCC1 Amb26847852 [0,1,0,1,0,0|2,0,0]=4 830 B13R1.8842 CS(=O)NC1(C(=O)O)CCCCC1 Amb27862069 [0,1,0,1,0,0|2,0,0]=4 831 B13R1.8842 NC(=O)NC1(C(=O)O)CCCCC1 Amb6269628 [0,1,0,1,0,0|2,0,0]=4 832 B13R1.8842 NC(=O)NC1(C(=O)O)CCNCC1 Amb35647255 [0,1,0,1,0,0|2,0,0]=4 833 B13R1.8853 CC(=O)NC(CC1CCC1)C(=O)O Amb32666174 [0,1,0,1,0,0|1,0,0]=3 834 B13R1.8853 CC(=O)N[C@H](CC1CCC1)C(=O)O Amb28556148 [0,1,0,1,0,0|1,0,0]=3 835 B13R1.8854 CC(=O)NC(CCC1CC1)C(=O)O Amb33309099 [0,1,0,1,0,0|1,0,0]=3 836 B13R1.349 CS(=N)(=O)N1CCCCC1C(=O)O Amb35687845 [0,1,0,1,0,0|2,0,0]=4 837 B13R1.349 CS(=N)(=O)N1CCCC[C@@H]1C(=O)O Amb29867474 [0,1,0,1,0,0|2,0,0]=4 838 B13R1.349 CS(=N)(=O)N1CCCC[C@H]1C(=O)O Amb29867472 [0,1,0,1,0,0|2,0,0]=4 839 B13R1.349 CS(=O)(=O)N1CCCCC1C(=O)O Amb9745687 [0,1,0,1,0,0|2,0,0]=4 840 B13R1.349 CS(=O)(=O)N1CCCC[C@H]1C(=O)O Amb27825904 [0,1,0,1,0,0|2,0,0]=4 841 B13R1.527 COC(=O)NC1CCCCCC1=O Amb27464452 [0,1,0,1,0,0|2,0,0]=4 842 B13R1.527 COC(=O)NC1CCCCNC1=O Amb28283598 [0,1,0,1,0,0|2,0,0]=4 843 B13R1.527 O=C(CBr)NC1CCCCNC1=O Amb27604858 [0,1,0,1,0,0|2,0,0]=4 844 B13R1.527 O=C(CCl)NC1CCCCNC1=O Amb7969542 [0,1,0,1,0,0|2,0,0]=4 845 B13R1.547 C#CC(=O)N1CCCC[C@@H]1C(=O)O Amb27875041 [0,1,0,1,0,0|1,0,1]=4 846 B13R1.547 C#CC(=O)N1CCCC[C@H]1C(=O)O Amb27971897 [0,1,0,1,0,0|1,0,1]=4 847 B13R1.547 C=CC(=O)N1CCCCC1C(=O)O Amb9727790 [0,1,0,1,0,0|1,0,1]=4 848 B13R1.547 CC(=O)N1CCOCC1C(=O)NO Amb27980227 [0,1,0,1,0,0|2,0,0]=4 849 B13R1.547 CCC(=O)C1CCCCC1C(=O)O Amb28193420 [0,1,0,1,0,0|2,0,0]=4 850 B13R1.547 CCC(=O)C1CCCCN1C(C)=O Amb24576797 [0,1,0,1,0,0|2,0,0]=4 851 B13R1.547 CCC(=O)N1CCCCC1C(=O)O Amb9705381 [0,1,0,1,0,0|1,0,0]=3 852 B13R1.547 CCC(=O)N1CCCC[C@H]1C(=O)O Amb28318035 [0,1,0,1,0,0|1,0,0]=3 853 B13R1.547 CCC(=O)N1CCSCC1C(=O)O Amb27406182 [0,1,0,1,0,0|2,0,0]=4 854 B13R1.547 CCS(=O)N1CCCC[C@H]1C(=O)O Amb27202923 [0,1,0,1,0,0|2,0,0]=4 855 B13R1.547 CNC(=O)C1CCCCC1C(=O)O Amb9390755 [0,1,0,1,0,0|2,0,0]=4 856 B13R1.547 CNC(=O)C1CCCCN1C(C)=O Amb25897524 [0,1,0,1,0,0|2,0,0]=4 857 B13R1.547 CNC(=O)N1CCSCC1C(=O)O Amb28288795 [0,1,0,1,0,0|2,0,0]=4 858 B13R1.547 CNC(=O)[C@@H]1CCCCN1C(C)=O Amb27451607 [0,1,0,1,0,0|2,0,0]=4 859 B13R1.547 CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O Amb23441200 [0,1,0,1,0,0|2,0,0]=4 860 B13R1.547 CNC(=O)[C@H]1CCCC[C@H]1C(=O)O Amb27231632 [0,1,0,1,0,0|2,0,0]=4 861 B13R1.547 COC(=O)C1CCCCC1C(=O)O Amb4014526 [0,1,0,1,0,0|2,0,0]=4 862 B13R1.547 COC(=O)C1CCCCN1C(=O)Cl Amb24678984 [0,1,0,1,0,0|2,0,0]=4 863 B13R1.547 COC(=O)C1CNCCC1C(=O)O Amb26505446 [0,1,0,1,0,0|2,0,0]=4 864 B13R1.547 COC(=O)C1CNCCC1C(=O)O Amb33743517 [0,1,0,1,0,0|2,0,0]=4 865 B13R1.547 COC(=O)C1CNCCN1C(C)=O Amb21861349 [0,1,0,1,0,0|2,0,0]=4 866 B13R1.547 COC(=O)N1CC=CCC1C(=O)O Amb18129493 [0,1,0,1,0,0|1,0,1]=4 867 B13R1.547 COC(=O)N1CCCCC1C(=O)O Amb9735823 [0,1,0,1,0,0|1,0,0]=3 868 B13R1.547 COC(=O)N1CCCC[C@@H]1C(=O)O Amb27771861 [0,1,0,1,0,0|1,0,0]=3 869 B13R1.547 COC(=O)N1CCOCC1C(=O)O Amb27415595 [0,1,0,1,0,0|2,0,0]=4 870 B13R1.547 COC(=O)N1CCSCC1C(=O)O Amb27162481 [0,1,0,1,0,0|2,0,0]=4 871 B13R1.547 COC(=O)[C@@H]1CCCCN1C(C)=O Amb28119529 [0,1,0,1,0,0|1,0,0]=3 872 B13R1.547 COC(=O)[C@@H]1CCCC[C@@H]1C(=O)O Amb27620026 [0,1,0,1,0,0|2,0,0]=4 873 B13R1.547 COC(=O)[C@@H]1CCCC[C@H]1C(=O)O Amb22735906 [0,1,0,1,0,0|2,0,0]=4 874 B13R1.547 COC(=O)[C@H]1CCCCN1C(=O)Cl Amb33296733 [0,1,0,1,0,0|2,0,0]=4 875 B13R1.547 COC(=O)[C@H]1CCCC[C@H]1C(=O)O Amb6299839 [0,1,0,1,0,0|2,0,0]=4 876 B13R1.547 CSC(=S)N1CCCC[C@@H]1C(=O)O Amb27463364 [0,1,0,1,0,0|1,1,0]=4 877 B13R1.547 NC(=O)C1CCCCN1C(=O)CCl Amb459621 [0,1,0,1,0,0|2,0,0]=4 878 B13R1.547 NCC(=O)C1CCCCC1C(=O)O Amb27403533 [0,1,0,1,0,0|2,0,0]=4 879 B13R1.547 NCC(=O)N1CCCCC1C(=O)O Amb18951665 [0,1,0,1,0,0|1,0,0]=3 880 B13R1.547 NCC(=O)N1CCCC[C@H]1C(=O)O Amb28140224 [0,1,0,1,0,0|1,0,0]=3 881 B13R1.547 NCC(=O)N1CCOCC1C(=O)O Amb27949477 [0,1,0,1,0,0|2,0,0]=4 882 B13R1.547 O=C(O)C1CCCCN1C(=O)CCl Amb21956218 [0,1,0,1,0,0|1,0,0]=3 883 B13R1.547 O=C(O)C1CCCCN1C(=O)CO Amb5798104 [0,1,0,1,0,0|1,0,0]=3 884 B13R1.1814 CCC(=O)N1C(=O)CCC1C(=O)O Amb17335734 [0,1,0,1,0,0|2,0,0]=4 885 B13R1.1814 CNC(=O)N1C(C)SCC1C(=O)O Amb27454184 [0,1,0,1,0,0|2,0,0]=4 886 B13R1.1814 COC(=O)N1C(C)SCC1C(=O)O Amb28242097 [0,1,0,1,0,0|2,0,0]=4 887 B13R1.1814 COC(=O)[C@@H]1[C@H](C)CC[C@H]1C(=O)O Amb27967069 [0,1,0,1,0,0|2,0,0]=4 888 B13R1.1814 NCC(=O)N1C(=O)CCC1C(=O)O Amb27647988 [0,1,0,1,0,0|2,0,0]=4 889 B13R1.2679 COC(=O)N[C@H]1CCC(=O)OC1=O Amb27772629 [0,1,0,1,0,0|2,0,0]=4 890 B13R1.4107 CCCC1C(C)C(=O)CC1C(=O)O Amb27632472 [0,1,0,1,0,0|2,0,0]=4 891 B13R1.4930 C#CC(=O)NC1(C(=O)O)CCOC1 Amb28289167 [0,1,0,1,0,0|0,1,1]=4 892 B13R1.4930 CCC(=O)NC1(C(=O)O)CCNC1 Amb30010199 [0,1,0,1,0,0|1,0,0]=3 893 B13R1.4930 CNC(=O)NC1(C(=O)O)CCCC1 Amb1140156 [0,1,0,1,0,0|1,0,0]=3 894 B13R1.4930 CNC(=O)NC1(C(=O)O)CCNC1 Amb30010354 [0,1,0,1,0,0|1,0,0]=3 895 B13R1.4930 CNC(=O)NC1(C(=O)O)CCSC1 Amb27857341 [0,1,0,1,0,0|0,0,0]=2 896 B13R1.4930 COC(=O)NC1(C(=O)O)CCCC1 Amb33531920 [0,1,0,1,0,0|1,0,0]=3 897 B13R1.4930 COC(=O)NC1(C(=O)O)CCNC1 Amb30010355 [0,1,0,1,0,0|1,0,0]=3 898 B13R1.4930 NCC(=O)NC1(C(=O)O)CCOC1 Amb28243547 [0,1,0,1,0,0|0,1,0]=3 899 B13R1.4930 NCC(=O)NC1(C(N)=O)CCCC1 Amb28186510 [0,1,0,1,0,0|2,0,0]=4 900 B13R1.4930 O=C(CCl)NC1(C(=O)O)CCCC1 Amb25190613 [0,1,0,1,0,0|1,0,0]=3 901 B13R1.6212 CNC(=O)NC(C(=O)O)C1CCC1 Amb27475322 [0,1,0,1,0,0|1,0,0]=3 902 B13R1.165 CC(=O)C1CCC(C)CC1C(=O)O Amb27952088 [0,1,0,1,0,0|2,0,0]=4 903 B13R1.165 CC(=O)N1CC(=O)NCC1C(=O)O Amb27167433 [0,1,0,1,0,0|2,0,0]=4 904 B13R1.165 CC(=O)N1CCC(C)CC1C(N)=O Amb27652559 [0,1,0,1,0,0|2,0,0]=4 905 B13R1.165 CC(=O)N1NC(=O)CCC1C(=O)O Amb26843044 [0,1,0,1,0,0|2,0,0]=4 906 B13R1.2023 CC(=O)NC1(C(=O)O)CC1C(=O)O Amb27883450 [0,1,0,1,0,0|2,0,0]=4 907 B13R1.3487 CC(C)CC1CC(=O)NC1C(=O)O Amb27407450 [0,1,0,1,0,0|1,0,0]=3 908 B13R1.5889 CC(=O)NC1(C(=O)O)CCC(C)C1 Amb28383646 [0,1,0,1,0,0|1,0,0]=3 909 B13R1.5889 CC(=O)NC1(C(=O)O)COC(C)C1 Amb30011004 [0,1,0,1,0,0|0,1,0]=3 910 B13R1.8011 CN(C)CCC1(C(=O)O)CC(=O)C1 Amb33271632 [0,1,0,1,0,0|2,0,0]=4 911 B13R1.8761 CC(=O)N1C(C(=O)O)CCC1(C)C Amb26552368 [0,1,0,1,0,0|1,0,0]=3 912 B13R1.2988 COC1CC(C(=O)O)N(C(C)=O)C1 Amb6256816 [0,1,0,1,0,0|0,1,0]=3 913 B13R1.2988 COC1CC(C(=O)O)N(S(C)=O)C1 Amb28254411 [0,1,0,1,0,0|1,1,0]=4 914 B13R1.2988 CO[C@H]1C[C@H](C(=O)O)N(C(C)=O)C1 Amb27422215 [0,1,0,1,0,0|0,1,0]=3 915 B13R1.3472 CC(=O)N1C(=O)C(F)CC1C(=O)O Amb28291591 [0,1,0,1,0,0|2,0,0]=4 916 B13R1.3472 CC(=O)N1C(C(=O)O)CC(=O)N1C Amb25320326 [0,1,0,1,0,0|1,0,1]=4 917 B13R1.7002 CC(=O)NC1CC(C)(CO)OC1=O Amb27879609 [0,1,0,1,0,0|2,0,0]=4 918 B13R1.7002 CC(=O)N[C@@H]1C[C@](C)(CO)OC1=O Amb27207760 [0,1,0,1,0,0|2,0,0]=4 919 B13R1.314 COC(=O)C1CC(OC)NC(=O)N1 Amb28118465 [0,1,0,1,0,0|1,1,0]=4 920 B13R1.1779 CNC(=O)C1CCC(C)N1C(C)=O Amb27815233 [0,1,0,1,0,0|2,0,0]=4 921 B13R1.1779 COC(=O)[C@@H]1CCC(O)N1C(C)=O Amb27397098 [0,1,0,1,0,0|2,0,0]=4 922 B13R1.1828 C=C1CCC1(NC(C)=O)C(=O)OC Amb26651871 [0,1,0,1,0,0|1,0,1]=4 923 B13R1.1828 COC(=O)[C@@]1(NC(C)=O)CC[C@@H]1C Amb27621091 [0,1,0,1,0,0|1,0,0]=3 924 B13R1.1828 COC(=O)[C@@]1(NC(C)=O)CC[C@H]1C Amb27206610 [0,1,0,1,0,0|1,0,0]=3 925 B13R1.1828 COC(=O)[C@]1(NC(C)=O)CC[C@@H]1O Amb27201644 [0,1,0,1,0,0|2,0,0]=4 926 B13R1.3528 CC(=O)NC1CCC(=O)N(O)C1=O Amb27876201 [0,1,0,1,0,0|2,0,0]=4 927 B13R1.4661 CC(=O)NC1(C(=O)NN)CCCC1 Amb27848164 [0,1,0,1,0,0|2,0,0]=4 928 B13R1.4661 CC(=O)NC1(C(=O)NO)CCOC1 Amb27588799 [0,1,0,1,0,0|0,1,0]=3 929 B13R1.4661 CC(=O)NC1(\C(N)=N/O)CCCC1 Amb10609821 [0,1,0,1,0,0|2,0,0]=4 930 B13R1.4661 CC(=O)NC1(\C(N)=N\O)CCCC1 Amb10764660 [0,1,0,1,0,0|2,0,0]=4 931 B13R1.4661 CC(=O)NC1(\C(N)=N\O)CCOC1 Amb28056238 [0,1,0,1,0,0|1,1,0]=4 932 B13R1.4661 COC(=O)C1(CC(C)=O)CCNC1 Amb33804555 [0,1,0,1,0,0|2,0,0]=4 933 B13R1.4661 COC(=O)C1(NC(C)=O)CC=CC1 Amb27786943 [0,1,0,1,0,0|1,0,1]=4 934 B13R1.4661 COC(=O)C1(NC(C)=O)CCCC1 Amb13998588 [0,1,0,1,0,0|1,0,0]=3 935 B13R1.4661 COC(=O)C1(NC(C)=O)CCN=N1 Amb27751279 [0,1,0,1,0,0|2,0,0]=4 936 B13R1.4661 COC(=O)C1(NC(C)=O)CCOC1 Amb28365017 [0,1,0,1,0,0|0,1,0]=3 937 B13R1.4661 COC(=O)C1(NC(C)=O)CCSC1 Amb28058362 [0,1,0,1,0,0|0,0,0]=2 938 B13R1.873 CC(=O)N(C)C1(C(=O)O)CCC1C Amb28075685 [0,1,0,1,0,0|1,0,0]=3 939 B13R1.4029 CCCC1CC(=O)C(C)C1C(=O)O Amb27634923 [0,1,0,1,0,0|2,0,0]=4 940 B13R1.11086 CN(C(N)=O)C1(C(=O)O)CCOC1 Amb27851211 [0,1,0,1,0,0|1,1,0]=4 941 B13R1.2791 C[C@H]1CC[C@@H](C(=O)O)N1S(C)(=O)=O Amb28324464 [0,1,0,1,0,0|2,0,0]=4 942 B13R1.8660 CS(=N)(=O)NC1(C(=O)O)CCCC1 Amb30019501 [0,1,0,1,0,0|2,0,0]=4 943 B13R1.8660 CS(=N)(=O)NC1(C(=O)O)CCOC1 Amb35688398 [0,1,0,1,0,0|1,1,0]=4 944 B13R1.8660 CS(=O)(=O)NC1(C(=O)O)CCNC1 Amb30010378 [0,1,0,1,0,0|2,0,0]=4 945 B13R1.813 CC(=O)NC(C)(C(=O)O)C1CC1C Amb28382204 [0,1,0,1,0,0|1,0,0]=3 946 B13R1.3988 CCCC1CC(=O)OC1(C)C(=O)O Amb27816289 [0,1,0,1,0,0|2,0,0]=4 947 B13R2.4670 O=C(O)C1CC2CCC1C(=O)C2 Amb27408491 [0,0,0,2,0,0|2,0,0]=4 948 B13R2.4670 O=C(O)[C@H]1C[C@H]2CC[C@@H]1C(=O)C2 Amb28320716 [0,0,0,2,0,0|2,0,0]=4 949 B13R2.4670 O=C1C[C@@H]2CC[C@H]1[C@H](C(=O)O)C2 Amb27657568 [0,0,0,2,0,0|2,0,0]=4 950 B13R2.10845 O=C1CC2CCC(C(=O)O)(C2)N1 Amb23596977 [0,0,0,2,0,0|1,0,0]=3 951 B13R2.10992 CC1CC1C2(C(=O)O)CC(=O)C2 Amb33143742 [0,0,0,2,0,0|2,0,0]=4 952 B13R2.13981 CC(=O)N1CC2CC2C1C(=O)O Amb26401840 [0,0,0,2,0,0|1,0,0]=3 953 B13R2.13981 CC(=O)N1C[C@H]2C[C@H]2[C@@H]1C(=O)O Amb27633648 [0,0,0,2,0,0|1,0,0]=3 954 B13R2.371 O=C1CCC(=O)N2CCCCC12 Amb18827181 [0,0,0,2,0,0|2,0,0]=4 955 B13R2.371 O=C1CCC(=O)N2CCCC[C@@H]12 Amb28249227 [0,0,0,2,0,0|2,0,0]=4 956 B13R2.371 O=C1CCC(=O)N2CCCC[C@H]12 Amb28381122 [0,0,0,2,0,0|2,0,0]=4 957 B13R2.371 O=C1NCC(=O)N2CCCCC12 Amb10073770 [0,0,0,2,0,0|2,0,0]=4 958 B13R2.12973 O=C(O)C1CCCC2CC(=O)N21 Amb28205561 [0,0,0,2,0,0|1,0,0]=3 959 B13R2.12973 O=C(O)C1NCCC2CC(=O)N21 Amb28458337 [0,0,0,2,0,0|2,0,0]=4 960 B13R2.354 O=C1CC2CCCC2(C(=O)O)C1 Amb26448839 [0,0,0,2,0,0|2,0,0]=4 961 B13R2.354 O=C1C[C@@H]2CCC[C@]2(C(=O)O)C1 Amb24634077 [0,0,0,2,0,0|2,0,0]=4 962 B13R2.3014 O=C1CC(C2CC2)C(C(=O)O)N1 Amb27816112 [0,0,0,2,0,0|1,0,0]=3 963 B13R2.12149 O=C1CC(C(=O)O)C2(CCC2)C1 Amb33744302 [0,0,0,2,0,0|2,0,0]=4 964 B13R2.12149 O=C1CC2(CCC2)C(C(=O)O)N1 Amb27494501 [0,0,0,2,0,0|1,0,0]=3 965 B13R2.12149 O=C1CC2(CNC2)C(C(=O)O)N1 Amb33804730 [0,0,0,2,0,0|1,0,0]=3 966 B13R2.12149 O=C1CC2(COC2)C(C(=O)O)N1 Amb35651838 [0,0,0,2,0,0|0,1,0]=3 967 B13R2.12149 O=C1NC(C(=O)O)C2(CCC2)O1 Amb35788273 [0,0,0,2,0,0|2,0,0]=4 968 B13R2.330 O=C1NC2CCCCC1NC2=O Amb28243989 [0,0,0,2,0,0|2,0,0]=4 969 B13R2.330 O=C1N[C@@H]2CCCC[C@H]1NC2=O Amb27798355 [0,0,0,2,0,0|2,0,0]=4 970 B13R2.7172 O=C1CNC(=O)C2(CCCC2)N1 Amb21937000 [0,0,0,2,0,0|2,0,0]=4 971 B13R2.7172 O=C1CNC(=O)C2(CCOC2)N1 Amb31197950 [0,0,0,2,0,0|1,1,0]=4 972 B13R2.3749 NC(=O)C1CCC2CCC(=O)N21 Amb27246149 [0,0,0,2,0,0|2,0,0]=4 973 B13R2.3749 O=C(O)C1CCC2CCC(=O)N21 Amb28397457 [0,0,0,2,0,0|1,0,0]=3 974 B13R2.3749 O=C(O)[C@@H]1CC[C@@H]2CCC(=O)N12 Amb26884877 [0,0,0,2,0,0|1,0,0]=3 975 B13R2.11696 O=C1CC(CC2CC2)(C(=O)O)C1 Amb33361158 [0,0,0,2,0,0|2,0,0]=4 976 B13R2.11731 O=C1CC(C(=O)O)(C2CCC2)C1 Amb33225932 [0,0,0,2,0,0|2,0,0]=4 977 B9R0.33 C=C(C)C(NCC)C(=O)O Amb28050492 [1,0,0,0,1,0|2,0,0]=4 978 B9R0.33 CC(=O)C(CCBr)C(C)=O Amb27955999 [1,0,0,0,1,0|2,0,0]=4 979 B9R0.33 CCCC(C(=O)O)C(=O)O Amb8384909 [1,0,0,0,1,0|1,0,0]=3 980 B9R0.33 CCCC(C(=O)O)C(C)C Amb17616275 [1,0,0,0,1,0|1,0,1]=4 981 B9R0.33 CCCC(C(=O)O)C(C)N Amb33036414 [1,0,0,0,1,0|1,0,1]=4 982 B9R0.33 CCCC(C(=O)O)C(C)O Amb26422276 [1,0,0,0,1,0|0,0,2]=4 983 B9R0.33 CCCC(C(=O)O)N(C)C Amb33534626 [1,0,0,0,1,0|2,0,0]=4 984 B9R0.33 CCCC(C(=O)O)S(C)=O Amb27255158 [1,0,0,0,1,0|1,0,0]=3 985 B9R0.33 CCCC(C(C)=O)C(N)=O Amb24744722 [1,0,0,0,1,0|1,0,0]=3 986 B9R0.33 CCCC(C(N)=O)C(N)=O Amb24380863 [1,0,0,0,1,0|2,0,0]=4 987 B9R0.33 CCC[C@H](C(=O)O)N(C)C Amb32660270 [1,0,0,0,1,0|2,0,0]=4 988 B9R0.33 CCC[C@H](C(=O)O)[C@H](C)O Amb27221692 [1,0,0,0,1,0|0,0,2]=4 989 B9R0.33 CCC\C(C(C)=O)=C(\C)O Amb28324383 [1,0,0,0,1,0|1,0,1]=4 990 B9R0.33 COCC(C(=O)O)C(=O)O Amb27866758 [1,0,0,0,1,0|1,1,0]=4 991 B9R0.33 CS(=O)C(CCN)C(=O)O Amb27425024 [1,0,0,0,1,0|2,0,0]=4 992 B9R0.33 CSCC(C(=O)O)C(C)C Amb27639484 [1,0,0,0,1,0|1,0,1]=4 993 B9R0.33 CSC[C@@H](C(=O)O)N(C)C Amb27974193 [1,0,0,0,1,0|2,0,0]=4 994 B9R0.33 NCCC(C(=O)O)C(=O)O Amb27797430 [1,0,0,0,1,0|2,0,0]=4 995 B9R0.33 O=C(O)C(CCF)C(=O)O Amb27958814 [1,0,0,0,1,0|2,0,0]=4 996 B11R0.35 CCCC(CC(=O)O)CC(=O)O Amb2720782 [1,0,0,0,0,1|2,0,0]=4 997 B11R0.35 CCCC(CC(=O)O)NC(C)=O Amb33042695 [1,0,0,0,0,1|0,0,0]=2 998 B11R0.35 COCC(CC(=O)O)NC(C)=O Amb33253848 [1,0,0,0,0,1|0,1,0]=3 999 B11R0.35 CSCC(CC(=O)O)CC(=O)O Amb33269665 [1,0,0,0,0,1|2,0,0]=4 1000 B13R0.1298 CSCCC(NCCC(C)C)C(=O)O Amb18119180 [0,0,0,0,0,2|1,0,1]=4