0 B12R0.138 CC(=O)C(CSC(C)=O)NC(C)=O Amb22460699 [0,0,0,0,0,0|3,0,0]=3 1 B12R0.138 CC(=O)N(CC(O)=O)CCC(O)=O Amb18611636 [0,0,0,0,0,0|4,0,0]=4 2 B12R0.138 CC(=O)NC(CCC(N)=O)C(N)=O Amb22730316 [0,0,0,0,0,0|2,0,0]=2 3 B12R0.138 CC(=O)N[C@@H](CCC(O)=O)C(N)=O Amb22800330 [0,0,0,0,0,0|1,0,0]=1 4 B12R0.138 CC(=O)N[C@@H](CCP(O)=O)C(O)=O Amb22396063 [0,0,0,0,0,0|1,0,0]=1 5 B12R0.138 CC(=O)N[C@@H](CCS(C)=O)C(O)=O Amb22799513 [0,0,0,0,0,0|2,0,0]=2 6 B12R0.138 CC(=O)N\C(=C\CC(O)=O)\C(O)=O Amb25188013 [0,0,0,0,0,0|0,0,2]=2 7 B12R0.138 CC(=O)OCC(NC(C)C)C(O)=O Amb22484088 [0,0,0,0,0,0|3,0,1]=4 8 B12R0.138 CC(=O)SCC(C(=O)O)NC(=O)C Amb17595479 [0,0,0,0,0,0|2,0,0]=2 9 B12R0.138 CC(=O)SCC(CC(O)=O)C(O)=O Amb20668815 [0,0,0,0,0,0|4,0,0]=4 10 B12R0.138 CC(=O)SC[C@@H](NC(C)=O)C(O)=O Amb19131710 [0,0,0,0,0,0|2,0,0]=2 11 B12R0.138 CC(C)CC(CCC(O)=O)C(O)=O Amb20668896 [0,0,0,0,0,0|2,0,1]=3 12 B12R0.138 NC(=N)NC(CCC(O)=O)C(O)=O Amb22348167 [0,0,0,0,0,0|2,0,0]=2 13 B12R0.138 NC(=N)N[C@@H](CCC(O)=O)C(O)=O Amb22801455 [0,0,0,0,0,0|2,0,0]=2 14 B12R0.138 NC(=N)N[C@@H](CCC(O)=O)C(O)=O Amb24325322 [0,0,0,0,0,0|2,0,0]=2 15 B12R0.138 NC(=O)CCC(C(=O)O)NC(=O)N Amb1042310 [0,0,0,0,0,0|2,0,0]=2 16 B12R0.138 OC(=O)CCC(C(=O)O)NC(=O)N Amb1152860 [0,0,0,0,0,0|1,0,0]=1 17 B12R0.138 OC(=O)CC[C@@H](C(=O)O)NC(=O)N Amb16232094 [0,0,0,0,0,0|1,0,0]=1 18 B11R0.146 CCCC(C(=O)O)CCC(=O)O Amb17619597 [1,0,0,0,0,0|1,0,1]=3 19 B11R0.146 N=CNC(CCC(O)=O)C(O)=O Amb22732898 [1,0,0,0,0,0|1,0,0]=2 20 B11R0.146 O=CNC(C(=O)O)CCC(=O)N Amb2582546 [1,0,0,0,0,0|1,0,0]=2 21 B11R0.160 CC(=O)NC(CCSC)C(O)=O Amb22734380 [1,0,0,0,0,0|2,0,0]=3 22 B11R0.160 CC(=O)N[C@@H](CCCN)C(O)=O Amb22801209 [1,0,0,0,0,0|1,0,1]=3 23 B11R0.160 CC(=O)N[C@@H](CCSC)C(N)=O Amb22800241 [1,0,0,0,0,0|3,0,0]=4 24 B11R0.160 CCCCC(NC(C)=O)C(C)=O Amb21961247 [1,0,0,0,0,0|2,0,1]=4 25 B11R0.160 CCSC[C@@H](C(=O)O)NC(=O)C Amb17607536 [1,0,0,0,0,0|2,0,1]=4 26 B11R0.160 COCCC(C(=O)O)NC(=O)C Amb13952178 [1,0,0,0,0,0|2,0,0]=3 27 B11R0.160 CSCCC(C(=O)O)NC(=O)N Amb1107591 [1,0,0,0,0,0|3,0,0]=4 28 B13R0.253 CC(=O)N[C@@H](CCC(O)=O)C(=O)OC Amb22745968 [0,1,0,0,0,0|0,0,0]=1 29 B13R0.256 NC(=O)CCC(NC(=O)CF)C(O)=O Amb24081340 [0,1,0,0,0,0|1,0,0]=2 30 B13R0.256 NC(=O)CC[C@@H](NC(=O)CN)C(O)=O Amb22745260 [0,1,0,0,0,0|1,0,0]=2 31 B13R0.256 NC(=O)CC[C@@H](NC(=O)CN)C(O)=O Amb22747683 [0,1,0,0,0,0|1,0,0]=2 32 B13R0.256 NCC(=O)NC(CCC(O)=O)C(O)=O Amb22350006 [0,1,0,0,0,0|0,0,0]=1 33 B13R0.256 NCC(=O)N[C@@H](CCC(O)=O)C(O)=O Amb22801466 [0,1,0,0,0,0|0,0,0]=1 34 B13R0.256 NCC(=O)N[C@H](C(=O)O)CCC(=O)N Amb10807525 [0,1,0,0,0,0|1,0,0]=2 35 B13R0.256 OC(=O)CCC(NC(=O)CCl)C(O)=O Amb24093584 [0,1,0,0,0,0|0,0,0]=1 36 B13R0.256 OC(=O)CCC(NC(=O)CF)C(O)=O Amb24080660 [0,1,0,0,0,0|0,0,0]=1 37 B13R0.432 CC(=O)NC(CSC(=O)NC)C(O)=O Amb22352795 [0,1,0,0,0,0|2,0,0]=3 38 B13R0.432 CNC(=O)SC[C@@H](C(=O)O)NC(=O)C Amb17607603 [0,1,0,0,0,0|2,0,0]=3 39 B13R0.432 ClC=C(SC[C@@H](C(=O)O)NC(=O)C)Cl Amb17607507 [0,1,0,0,0,0|3,0,0]=4 40 B13R0.613 CC(C)C[C@@H](C[C@H](N)C(O)=O)C(O)=O Amb19888431 [0,1,0,0,0,0|2,0,1]=4 41 B13R0.613 CC(C)C[C@H](C[C@@H](N)C(O)=O)C(O)=O Amb19887697 [0,1,0,0,0,0|2,0,1]=4 42 B13R0.617 CC(=O)NC(C)(CCC(C)C)C(O)=O Amb23443355 [0,1,0,0,0,0|2,0,1]=4 43 B13R0.630 CC(=O)NC(CCC(F)(F)F)C(O)=O Amb22756947 [0,1,0,0,0,0|2,0,1]=4 44 B13R0.630 CC(=O)NC(CCP(C)([O-])=O)C([O-])=O Amb22054222 [0,1,0,0,0,0|1,0,2]=4 45 B13R0.1418 OC(=O)CCC(C(=O)O)NS(=O)(=O)C Amb17466622 [0,1,0,0,0,0|1,0,0]=2 46 B13R0.1418 OC(=O)CCC(CP(O)(O)=O)C(O)=O Amb21858756 [0,1,0,0,0,0|3,0,0]=4 47 B13R1.126 C=C1C[C@@H](N[C@@H](C1)C(O)=O)C(O)=O Amb24366654 [0,0,0,1,0,0|3,0,0]=4 48 B13R1.126 CN1CC(CC(C1)C(O)=O)C(O)=O Amb23571894 [0,0,0,1,0,0|3,0,0]=4 49 B13R1.126 C[C@@H]1C[C@H](C[C@H](C1)C(O)=O)C(O)=O Amb24693936 [0,0,0,1,0,0|2,0,1]=4 50 B13R1.126 OC(=O)C1CC(=O)CC(C1)C(O)=O Amb22499038 [0,0,0,1,0,0|1,0,0]=2 51 B13R1.126 OC(=O)C1CC(=O)CC(N1)C(O)=O Amb18821779 [0,0,0,1,0,0|2,0,0]=3 52 B13R1.126 OC(=O)C1CC(=O)CC(O1)C(O)=O Amb24651041 [0,0,0,1,0,0|2,0,0]=3 53 B13R1.126 OC(=O)C1CC(NC(=O)N1)C(O)=O Amb25232632 [0,0,0,1,0,0|1,0,0]=2 54 B13R1.126 OC(=O)C=1CC(=O)OC(C1)C(O)=O Amb24496289 [0,0,0,1,0,0|1,0,2]=4 55 B13R1.126 OC(=O)[C@H]1CC(=O)C[C@H](C1)C(O)=O Amb25752170 [0,0,0,1,0,0|1,0,0]=2 56 B13R1.126 OC(=O)[C@H]1CS(=O)C[C@H](N1)C(O)=O Amb25725973 [0,0,0,1,0,0|3,0,0]=4 57 B13R1.126 OC(=O)[C@H]1C[C@H](NC(=O)N1)C(O)=O Amb25320911 [0,0,0,1,0,0|1,0,0]=2 58 B13R1.138 OC(=O)CC1CC(CC1=O)C(O)=O Amb25321903 [0,0,0,1,0,0|3,0,0]=4 59 B13R1.138 OC(=O)CC1CC(OC1=O)C(O)=O Amb25700982 [0,0,0,1,0,0|2,0,0]=3 60 B13R1.165 CC(=O)N1CC(C)CCC1C(O)=O Amb25108643 [0,0,0,1,0,0|2,0,1]=4 61 B13R1.165 NC(=O)N1CC(=O)NCC1C(O)=O Amb25062170 [0,0,0,1,0,0|3,0,0]=4 62 B13R1.165 OC(=O)[C@H]1CCC(=O)C[C@H]1C(O)=O Amb25264131 [0,0,0,1,0,0|3,0,0]=4 63 B13R1.784 CC1=CCC(=O)NC(CS1)C(O)=O Amb24418033 [0,0,0,1,0,0|3,0,0]=4 64 B13R1.784 CC1=CCC(=O)N[C@@H](CS1)C(O)=O Amb24490426 [0,0,0,1,0,0|3,0,0]=4 65 B13R1.893 NC(=O)CC[C@@H]1NC(=O)CNC1=O Amb22757065 [0,0,0,1,0,0|2,0,0]=3 66 B13R1.893 OC(=O)CCC1CC(=O)CCC1=O Amb18129341 [0,0,0,1,0,0|2,0,0]=3 67 B13R1.893 OC(=O)CCC1NC(=O)CNC1=O Amb24677894 [0,0,0,1,0,0|1,0,0]=2 68 B13R1.893 OC(=O)CCC1NC(=O)CSC1=O Amb25706915 [0,0,0,1,0,0|0,1,0]=2 69 B13R1.893 OC(=O)CCN1NC(=O)C=CC1=O Amb18303252 [0,0,0,1,0,0|2,0,1]=4 70 B13R1.893 OC(=O)CC[C@@H]1NC(=O)CNC1=O Amb22799942 [0,0,0,1,0,0|1,0,0]=2 71 B13R1.893 OC(=O)CC[C@@H]1NC(=O)CSC1=O Amb25237560 [0,0,0,1,0,0|0,1,0]=2 72 B13R1.1012 CC(=O)N1C(CC1C(O)=O)C(O)=O Amb25725038 [0,0,0,1,0,0|0,0,0]=1 73 B13R1.1012 CC(=O)N1[C@H](C[C@H]1C(O)=O)C(O)=O Amb25108347 [0,0,0,1,0,0|0,0,0]=1 74 B13R1.1012 CC(C)C1C(CC1C(O)=O)C(O)=O Amb24692811 [0,0,0,1,0,0|2,0,1]=4 75 B13R1.1012 OC(=O)C1C(CC1C(O)=O)C(O)=O Amb24355317 [0,0,0,1,0,0|2,0,0]=3 76 B13R1.1053 CC1(C)CC(CC1C(O)=O)C(O)=O Amb24688734 [0,0,0,1,0,0|2,0,1]=4 77 B13R1.1053 CC1(C)C[C@H](C[C@H]1C(O)=O)C(O)=O Amb24608444 [0,0,0,1,0,0|2,0,1]=4 78 B13R1.1053 C[C@@]1(O)C[C@H](C[C@H]1C(O)=O)C(O)=O Amb24628966 [0,0,0,1,0,0|1,0,2]=4 79 B13R1.1053 C[C@]1(O)C[C@H](C[C@@H]1C(O)=O)C(O)=O Amb24649994 [0,0,0,1,0,0|1,0,2]=4 80 B13R1.1109 CC(=O)NC1CC(C(O)=O)C1(C)C Amb25779331 [0,0,0,1,0,0|2,0,1]=4 81 B13R1.2015 CC1(C)CC(C1CC(O)=O)C(O)=O Amb25779989 [0,0,0,1,0,0|2,0,1]=4 82 B13R1.2015 CC1(C)C[C@@H]([C@H]1CC(O)=O)C(O)=O Amb24753019 [0,0,0,1,0,0|2,0,1]=4 83 B13R1.2018 CC1(C)CCC1(NC(C)=O)C(O)=O Amb24636469 [0,0,0,1,0,0|2,0,1]=4 84 B13R1.2023 CC(=O)N[C@]1(C[C@H]1C(O)=O)C(O)=O Amb24602435 [0,0,0,1,0,0|0,0,0]=1 85 B13R1.3451 CC1(C)CC(CCC(O)=O)C(=O)O1 Amb24627117 [0,0,0,1,0,0|2,0,1]=4 86 B13R1.3487 CC(C)[C@@H]1NC(=O)C[C@H]1CC(O)=O Amb18191379 [0,0,0,1,0,0|2,0,1]=4 87 B13R1.3487 CC(C)[C@H]1NC(=O)C[C@@H]1CC(O)=O Amb25277390 [0,0,0,1,0,0|2,0,1]=4 88 B13R1.3487 OC(=O)C1=CC(=O)OC1CC(O)=O Amb25295467 [0,0,0,1,0,0|2,0,1]=4 89 B13R1.3487 OC(=O)C1=CC(=O)O[C@H]1CC(O)=O Amb25815266 [0,0,0,1,0,0|2,0,1]=4 90 B13R1.3487 OC(=O)CC1CC(=O)NC1C(O)=O Amb25758686 [0,0,0,1,0,0|0,0,0]=1 91 B13R1.3487 OC(=O)CC1CC(=O)OC1C(O)=O Amb17778124 [0,0,0,1,0,0|1,0,0]=2 92 B13R1.3487 OC(=O)C[C@H]1CC(=O)N[C@H]1C(O)=O Amb25266829 [0,0,0,1,0,0|0,0,0]=1 93 B13R1.3487 OC(=O)[C@@H]1NC(=O)O[C@H]1CC(O)=O Amb25179099 [0,0,0,1,0,0|1,0,0]=2 94 B13R1.5889 CC(=O)NC1(CCC(=O)O1)C(O)=O Amb25685375 [0,0,0,1,0,0|0,0,0]=1 95 B13R1.5889 CC(=O)NC1(CN(C)CC1)C(O)=O Amb25744654 [0,0,0,1,0,0|3,0,0]=4 96 B13R1.5889 OC(=O)CC1(CCC(=O)O1)C(O)=O Amb22899792 [0,0,0,1,0,0|2,0,0]=3 97 B11R0.28 CC(=O)C(\C=C\C(O)=O)C(C)=O Amb22371895 [0,0,0,0,1,0|1,0,2]=4 98 B11R0.28 OC(=O)CCC(C(=O)O)C(C)C Amb10553099 [0,0,0,0,1,0|1,0,1]=3 99 B11R0.28 OC(=O)CCN(C(=O)C)C(=O)C Amb17232927 [0,0,0,0,1,0|2,0,0]=3 100 B11R0.32 CC(=O)C(CC(O)=O)NC(C)C Amb18610978 [0,0,0,0,1,0|2,0,1]=4 101 B11R0.32 CC(=O)C(NC(C)=O)NC(C)=O Amb25161376 [0,0,0,0,1,0|3,0,0]=4 102 B11R0.32 CC(=O)NC(CC(O)=O)C(N)=O Amb21811914 [0,0,0,0,1,0|1,0,0]=2 103 B11R0.32 CC(=O)NC(CC([O-])=O)C([O-])=O Amb22334841 [0,0,0,0,1,0|0,0,2]=3 104 B11R0.32 CC(=O)NC(NC(C)=O)C(O)=O Amb25101652 [0,0,0,0,1,0|2,0,0]=3 105 B11R0.32 CC(=O)N[C@@H](CC(C)=C)C(O)=O Amb22801708 [0,0,0,0,1,0|2,0,0]=3 106 B11R0.32 CC(=O)N[C@@H](CC(O)=O)C(N)=O Amb19374681 [0,0,0,0,1,0|1,0,0]=2 107 B11R0.32 CC(C)OC(CC(O)=O)C(O)=O Amb23536087 [0,0,0,0,1,0|2,0,1]=4 108 B11R0.32 CC(CC(C(=O)O)NC(=O)C)C Amb1118665 [0,0,0,0,1,0|2,0,1]=4 109 B11R0.32 NC(=N)NC(CC(O)=O)C(O)=O Amb22349845 [0,0,0,0,1,0|2,0,0]=3 110 B11R0.32 NC(=N)N[C@@H](CC(O)=O)C(O)=O Amb22801189 [0,0,0,0,1,0|2,0,0]=3 111 B11R0.32 NC(=O)CC(C(=O)O)NC(=O)C Amb1118662 [0,0,0,0,1,0|1,0,0]=2 112 B11R0.32 NC(=O)CC(C(=O)O)NC(=O)N Amb1066530 [0,0,0,0,1,0|2,0,0]=3 113 B11R0.32 OC(=O)CC(C(=O)O)NC(=O)N Amb2222280 [0,0,0,0,1,0|1,0,0]=2 114 B11R0.32 OC(=O)C[C@H](C(=O)O)NC(=O)C Amb10072238 [0,0,0,0,1,0|0,0,0]=1 115 B11R0.32 OC(=O)C\C(=C\C(=O)O)\C(=O)O Amb1808152 [0,0,0,0,1,0|2,0,1]=4 116 B11R0.32 [O-]P(=O)CC(C(=O)[O-])NC(=O)C Amb1035191 [0,0,0,0,1,0|1,0,2]=4 117 B13R0.177 CC(=C)CN(CC(O)=O)CCC(O)=O Amb18100608 [0,0,0,0,0,1|3,0,0]=4 118 B13R0.177 NC(=O)CN(CC(O)=O)CCC(O)=O Amb18099462 [0,0,0,0,0,1|3,0,0]=4 119 B13R0.177 OC(=O)CCN(CC(O)=O)CC(O)=O Amb18612091 [0,0,0,0,0,1|3,0,0]=4 120 B13R0.443 CC(=O)N[C@H](C(=O)O)CSC=C(Cl)Cl Amb17607505 [0,0,0,0,0,1|2,0,1]=4 121 B13R0.443 CC(CSC[C@@H](C(=O)O)NC(=O)C)O Amb17607573 [0,0,0,0,0,1|1,0,1]=3 122 B10R0.96 CC(=O)CCC(C)NC(C)=O Amb25385797 [2,0,0,0,0,0|1,0,1]=4 123 B10R0.96 CC(=O)NC(=O)NCC(O)=O Amb24373173 [2,0,0,0,0,0|1,0,1]=4 124 B10R0.96 CC(=O)NN(C)CCC(O)=O Amb24764551 [2,0,0,0,0,0|1,0,1]=4 125 B10R0.96 CC(C)=CC(O)CCC(O)=O Amb25384601 [2,0,0,0,0,0|2,0,0]=4 126 B10R0.96 OC(=O)CCC(=O)CC(=O)C Amb10843902 [2,0,0,0,0,0|1,0,1]=4 127 B10R0.96 OC(=O)C[13CH2][13C](=O)[13CH2][13C](=O)[13CH3] Amb17620214 [2,0,0,0,0,0|1,0,1]=4 128 B10R0.96 OC(CC(O)=O)CCC(O)=O Amb22727761 [2,0,0,0,0,0|2,0,0]=4 129 B10R0.84 CCC(C(=O)O)CCC(=O)O Amb10552864 [2,0,0,0,0,0|0,0,1]=3 130 B10R0.84 CCC(C(=O)O)SCC(=O)O Amb17501325 [2,0,0,0,0,0|1,0,1]=4 131 B10R0.84 CNC(C(=O)O)CCC(=O)O Amb13884886 [2,0,0,0,0,0|0,0,0]=2 132 B10R0.84 CN[C@@H](C(=O)O)CCC(=O)O Amb10604040 [2,0,0,0,0,0|0,0,0]=2 133 B10R0.84 CN[C@@H](CCC(N)=O)C(O)=O Amb22270246 [2,0,0,0,0,0|1,0,0]=3 134 B10R0.84 CN[C@@H](CCC(O)=O)C(O)=O Amb24117978 [2,0,0,0,0,0|0,0,0]=2 135 B10R0.84 CN[C@H](C(=O)O)CCC(=O)O Amb13884885 [2,0,0,0,0,0|0,0,0]=2 136 B10R0.84 C\C=C(\CCC(O)=O)/C(O)=O Amb25386289 [2,0,0,0,0,0|0,0,1]=3 137 B10R0.88 CCCC[C@@H](NC=O)C(O)=O Amb22799714 [2,0,0,0,0,0|1,0,1]=4 138 B10R0.88 CSCC[C@@H](C(=O)O)NC=O Amb16232222 [2,0,0,0,0,0|2,0,0]=4 139 B10R0.88 CSCC[C@@H](NC=O)C(O)=O Amb18180656 [2,0,0,0,0,0|2,0,0]=4 140 B10R0.88 N#CCCC(NC=O)C(O)=O Amb25386038 [2,0,0,0,0,0|1,0,1]=4 141 B10R0.23 CC(=O)C(CC=C)NC(C)=O Amb25383492 [2,0,0,0,0,0|1,0,1]=4 142 B10R0.23 CC(=O)NC(CC#C)C(O)=O Amb19929448 [2,0,0,0,0,0|0,0,2]=4 143 B10R0.23 CC(=O)NC(CC=O)C(O)=O Amb24105950 [2,0,0,0,0,0|0,0,0]=2 144 B10R0.23 CC(=O)NC(CCCl)C(O)=O Amb25385679 [2,0,0,0,0,0|1,0,0]=3 145 B10R0.23 CC(=O)NC(CCS)C(O)=O Amb18127932 [2,0,0,0,0,0|0,1,0]=3 146 B10R0.23 CC(=O)NC(CNO)C(O)=O Amb25381561 [2,0,0,0,0,0|1,0,0]=3 147 B10R0.23 CC(=O)NC(CSCl)C(O)=O Amb25383450 [2,0,0,0,0,0|2,0,0]=4 148 B10R0.23 CC(=O)NC(OCC)C(O)=O Amb24092463 [2,0,0,0,0,0|1,0,1]=4 149 B10R0.23 CC(=O)NC(\C=C/C)C(O)=O Amb18126048 [2,0,0,0,0,0|1,0,1]=4 150 B10R0.23 CC(=O)NC(\C=C\C)C(O)=O Amb24655979 [2,0,0,0,0,0|1,0,1]=4 151 B10R0.23 CC(=O)N[C@@H](C(=O)O)CC=C Amb16182994 [2,0,0,0,0,0|0,0,1]=3 152 B10R0.23 CC(=O)N[C@@H](CC=C)C(O)=O Amb24270992 [2,0,0,0,0,0|0,0,1]=3 153 B10R0.23 CC(=O)N[C@@H](CCN)C(O)=O Amb25384051 [2,0,0,0,0,0|1,0,0]=3 154 B10R0.23 CC(=O)N[C@@H](CNC)C(O)=O Amb25383164 [2,0,0,0,0,0|1,0,1]=4 155 B10R0.23 CC(=O)N[C@H](CC#C)C(O)=O Amb25798940 [2,0,0,0,0,0|0,0,2]=4 156 B10R0.23 CCCC(NC(C)=O)C(C)=O Amb25384460 [2,0,0,0,0,0|1,0,1]=4 157 B10R0.23 CCC[C@H](NC(N)=O)C(O)=O Amb25385025 [2,0,0,0,0,0|1,0,1]=4 158 B10R0.23 CSC[C@@H](C(=O)O)NC(=O)C Amb17607605 [2,0,0,0,0,0|1,0,1]=4 159 B10R0.23 NC(=N)N[C@@H](CCO)C(O)=O Amb25385000 [2,0,0,0,0,0|2,0,0]=4 160 B10R0.23 NC(=O)C(CCO)NC(N)=O Amb24766230 [2,0,0,0,0,0|2,0,0]=4 161 B10R0.23 NC(=O)NC(CCN)C(O)=O Amb25383440 [2,0,0,0,0,0|2,0,0]=4 162 B10R0.23 NC(=O)NC(CCO)C(O)=O Amb18305492 [2,0,0,0,0,0|1,0,0]=3 163 B10R0.23 NC(=O)N[C@H](CCO)C(O)=O Amb25383714 [2,0,0,0,0,0|1,0,0]=3 164 B10R0.23 NCCC(NC(O)=O)C(O)=O Amb24091186 [2,0,0,0,0,0|2,0,0]=4 165 B12R0.55 O=C\N=N/C(C(=O)O)CCC(=O)O Amb17614618 [1,1,0,0,0,0|0,0,1]=3 166 B12R0.120 CC(=O)NC(C(=O)O)CCCCN Amb16227243 [1,1,0,0,0,0|1,0,1]=4 167 B12R0.120 CC(=O)N[C@H](C(=O)O)CSCC=C Amb17607405 [1,1,0,0,0,0|1,0,0]=3 168 B12R0.120 CC(=O)N[C@H](CC#CCO)C(O)=O Amb24374606 [1,1,0,0,0,0|0,0,2]=4 169 B12R0.120 CCCSC[C@@H](C(=O)O)NC(=O)C Amb17607397 [1,1,0,0,0,0|1,0,1]=4 170 B12R0.129 CCCCC(NC(=O)CCl)C(O)=O Amb24093583 [1,1,0,0,0,0|1,0,1]=4 171 B12R0.129 CCCC[C@@H](NC(=O)OC)C(O)=O Amb22749017 [1,1,0,0,0,0|1,0,1]=4 172 B12R0.129 CCCC[C@H](C(=O)O)NC(=O)CCl Amb10842256 [1,1,0,0,0,0|1,0,1]=4 173 B12R0.129 CSCCC(C(=O)O)NC(=O)CC Amb1111725 [1,1,0,0,0,0|2,0,0]=4 174 B12R0.129 CSCCC(NC(=O)CCl)C(O)=O Amb24093581 [1,1,0,0,0,0|2,0,0]=4 175 B12R0.129 CSCC[C@@H](NC(=O)CN)C(O)=O Amb22801020 [1,1,0,0,0,0|2,0,0]=4 176 B12R0.247 CSCCC(C(=O)OC)NC(=O)C Amb17607599 [1,1,0,0,0,0|2,0,0]=4 177 B12R0.247 CSCC[C@@H](C(=O)OC)NC(=O)C Amb15691928 [1,1,0,0,0,0|2,0,0]=4 178 B12R0.146 COC(=O)CCC(C(=O)C)C(=O)C Amb1153582 [0,1,0,0,1,0|1,0,0]=3 179 B12R0.339 NC(CC(C(O)=O)C(O)=O)C(O)=O Amb22361222 [0,1,0,0,1,0|1,0,0]=3 180 B12R0.395 OC(=O)CCC(C(=O)O)(C(=O)O)C Amb10552865 [0,1,0,0,1,0|1,0,0]=3 181 B12R0.395 OC(=O)CCC(O)(C(O)=O)C(O)=O Amb22348378 [0,1,0,0,1,0|1,0,0]=3 182 B12R0.43 OC(C(CC(O)=O)C(O)=O)C(O)=O Amb18129940 [0,1,0,0,1,0|2,0,0]=4 183 B12R0.43 OC(C(CC(O)=O)C(O)=O)C(O)=O Amb22352379 [0,1,0,0,1,0|2,0,0]=4 184 B12R0.43 [O-]C(=O)C(O)C(CC(O)=O)C(O)=O Amb19960003 [0,1,0,0,1,0|2,0,0]=4 185 B12R0.43 [O-]C(=O)C(O)C(CC(O)=O)C(O)=O Amb22349265 [0,1,0,0,1,0|2,0,0]=4 186 B12R0.180 CC(=O)N[C@@H](CC(O)=O)C(=O)OC Amb22800827 [0,1,0,0,1,0|0,0,0]=2 187 B12R0.180 COC(=O)C(OC(=O)C)CC(=O)O Amb17617128 [0,1,0,0,1,0|1,0,0]=3 188 B12R0.180 COC(=O)[C@@H](OC(=O)C)CC(=O)O Amb17617129 [0,1,0,0,1,0|1,0,0]=3 189 B12R0.393 CS(=O)(=O)O[C@@H](CC(O)=O)C(O)=O Amb25743063 [0,1,0,0,1,0|2,0,0]=4 190 B12R0.393 NC(=O)CC(C(=O)O)NS(=O)(=O)C Amb1111608 [0,1,0,0,1,0|2,0,0]=4 191 B12R0.393 OC(=O)CC(C(=O)O)NS(=O)(=O)C Amb17466623 [0,1,0,0,1,0|1,0,0]=3 192 B12R0.694 OC(=O)C(CC(=O)O)(CC(=O)O)O Amb10070578 [0,1,0,0,1,0|2,0,0]=4 193 B12R0.694 OC(=O)C(CC(=O)O)(CC(=O)O)O Amb16192936 [0,1,0,0,1,0|2,0,0]=4 194 B12R0.694 OC(=O)C(O)(CC(O)=O)CC(O)=O Amb19958282 [0,1,0,0,1,0|2,0,0]=4 195 B12R0.694 OC(=O)C(O)(CC(O)=O)CC(O)=O Amb21947902 [0,1,0,0,1,0|2,0,0]=4 196 B12R0.694 OC(=O)C(O)(CC(O)=O)CC(O)=O Amb22000691 [0,1,0,0,1,0|2,0,0]=4 197 B12R0.694 OC(=O)C(O)(CC(O)=O)CC(O)=O Amb22167468 [0,1,0,0,1,0|2,0,0]=4 198 B12R0.694 OC(=O)C(O)(CC(O)=O)CC(O)=O Amb22264824 [0,1,0,0,1,0|2,0,0]=4 199 B12R0.694 OC(=O)C(O)(CC(O)=O)CC(O)=O Amb22264888 [0,1,0,0,1,0|2,0,0]=4 200 B12R0.694 OC(=O)C(O)(CC(O)=O)CC(O)=O Amb22349892 [0,1,0,0,1,0|2,0,0]=4 201 B12R0.694 OC(=O)C(O)(CC(O)=O)CC(O)=O Amb22360651 [0,1,0,0,1,0|2,0,0]=4 202 B12R0.694 OC(=O)C(O)(CC(O)=O)CC(O)=O Amb22360663 [0,1,0,0,1,0|2,0,0]=4 203 B12R0.694 OC(=O)C(O)(CC(O)=O)CC(O)=O Amb24079735 [0,1,0,0,1,0|2,0,0]=4 204 B12R0.694 OC(=O)C(O)(C[14C](O)=O)C[14C](O)=O Amb22352096 [0,1,0,0,1,0|2,0,0]=4 205 B12R0.694 OC(=O)C(O)([13CH2]C(O)=O)[13CH2]C(O)=O Amb22336666 [0,1,0,0,1,0|2,0,0]=4 206 B12R0.694 OC(=O)CC(C(=O)O)(CC(=O)O)O Amb16226578 [0,1,0,0,1,0|2,0,0]=4 207 B12R0.694 OC(=O)CC(C(=O)O)(CC(=O)O)O Amb16232172 [0,1,0,0,1,0|2,0,0]=4 208 B12R0.694 O[13C](=O)C(O)(C[13C](O)=O)C[13C](O)=O Amb22338411 [0,1,0,0,1,0|2,0,0]=4 209 B12R0.694 O[13C](=O)[13C](O)([13CH2][13C](O)=O)[13CH2][13C](O)=O Amb22367329 [0,1,0,0,1,0|2,0,0]=4 210 B12R0.694 [O-]C(=O)CC(O)(CC(O)=O)C(O)=O Amb20246421 [0,1,0,0,1,0|2,0,0]=4 211 B12R0.694 [O-]C(=O)CC(O)(CC(O)=O)C(O)=O Amb22049484 [0,1,0,0,1,0|2,0,0]=4 212 B12R0.694 [O-]C(=O)CC(O)(CC(O)=O)C(O)=O Amb22051663 [0,1,0,0,1,0|2,0,0]=4 213 B12R0.694 [O-]C(=O)CC(O)(CC(O)=O)C(O)=O Amb22360665 [0,1,0,0,1,0|2,0,0]=4 214 B12R0.694 [O-]C(CC(O)=O)(CC(O)=O)C(O)=O Amb22453017 [0,1,0,0,1,0|2,0,0]=4 215 B14R0.1418 C[C@@H](N)C(=O)N[C@H](CCC(O)=O)C(O)=O Amb22799701 [0,1,0,0,0,1|1,0,1]=4 216 B14R0.3411 CC(CCC(O)=O)(CCC(O)=O)C(O)=O Amb21963914 [0,1,0,0,0,1|2,0,0]=4 217 B14R0.252 CNC(=O)CN(CC(O)=O)CCC(O)=O Amb18100728 [0,1,0,0,0,1|2,0,0]=4 218 B14R0.1624 CC(=O)N[C@@H](CSCC(=C)Br)C(=O)OC Amb24220879 [0,1,0,0,0,1|2,0,0]=4 219 B14R0.1624 CC(=O)N[C@@H](CSCC(=C)Cl)C(=O)OC Amb24220857 [0,1,0,0,0,1|2,0,0]=4 220 B14R0.1425 CC(C)(C(CCC(O)=O)C(O)=O)C(O)=O Amb23589734 [0,2,0,0,0,0|2,0,0]=4 221 B14R0.123 CCOC(=O)[C@@H](CSC(C)=O)NC(C)=O Amb22756659 [0,2,0,0,0,0|2,0,0]=4 222 B12R1.11 OC(=O)C1CC(CC(=O)C1)CO Amb18647605 [1,0,0,1,0,0|1,0,1]=4 223 B12R1.11 OC(=O)C1CC(CO)NC(=O)N1 Amb24341878 [1,0,0,1,0,0|1,0,1]=4 224 B12R1.11 OC(=O)[C@@H]1C[C@@H](CO)NC(=O)N1 Amb25198842 [1,0,0,1,0,0|1,0,1]=4 225 B12R1.65 CCC1NC(=O)CC1CC(O)=O Amb24710373 [1,0,0,1,0,0|1,0,1]=4 226 B12R1.65 CC[C@@H]1NC(=O)C[C@H]1CC(O)=O Amb18198651 [1,0,0,1,0,0|1,0,1]=4 227 B12R1.65 NC(=O)CC1CC(=O)NC1CO Amb25843719 [1,0,0,1,0,0|1,0,1]=4 228 B12R1.65 NC(=O)C[C@H]1CC(=O)N[C@@H]1CO Amb24512089 [1,0,0,1,0,0|1,0,1]=4 229 B12R1.226 OC(=O)CCC1CCCC(=O)N1 Amb18825448 [1,0,0,1,0,0|1,0,1]=4 230 B12R1.233 CC(=O)NC1CCC(=O)NC1=O Amb24682600 [1,0,0,1,0,0|1,0,0]=3 231 B12R1.233 CC(=O)NC1CCC(=O)OC1=O Amb25234120 [1,0,0,1,0,0|0,0,0]=2 232 B12R1.233 CC(=O)NC1CCC(=O)OC1C Amb24410108 [1,0,0,1,0,0|1,0,1]=4 233 B12R1.233 CC(=O)OC1CCC(=O)CC1=O Amb25370587 [1,0,0,1,0,0|2,0,0]=4 234 B12R1.233 NC(=O)NC1CCC(=O)NC1=O Amb25150073 [1,0,0,1,0,0|2,0,0]=4 235 B12R1.389 CC(=O)NC1CC(C=C1)C(O)=O Amb18647131 [1,0,0,1,0,0|1,0,0]=3 236 B12R1.389 CC(=O)NC1CSC(C1)C(O)=O Amb18190166 [1,0,0,1,0,0|0,1,1]=4 237 B12R1.389 CC(=O)N[C@@H]1CC[C@@H](C1)C(O)=O Amb25783230 [1,0,0,1,0,0|1,0,1]=4 238 B12R1.389 CC(=O)N[C@@H]1CN[C@@H](C1)C(O)=O Amb25324168 [1,0,0,1,0,0|1,0,1]=4 239 B12R1.389 CC(=O)N[C@@H]1C[C@@H](C=C1)C(O)=O Amb24670477 [1,0,0,1,0,0|1,0,0]=3 240 B12R1.389 CC(=O)N[C@H]1C[C@H](C=C1)C(O)=O Amb24652353 [1,0,0,1,0,0|1,0,0]=3 241 B12R1.389 NC(=O)NC1CC(C=C1)C(O)=O Amb24435119 [1,0,0,1,0,0|2,0,0]=4 242 B12R1.861 CC1=CC(=O)N(CCC(O)=O)N1 Amb18967764 [1,0,0,1,0,0|2,0,0]=4 243 B12R1.861 CC1=NC(CCC(O)=O)C(=O)O1 Amb24591817 [1,0,0,1,0,0|0,0,2]=4 244 B12R1.861 NC(=O)CC[C@@H]1NC(=O)OC1=O Amb22226708 [1,0,0,1,0,0|2,0,0]=4 245 B12R1.861 OC(=O)CCC1NC(=O)NC1=O Amb2500868 [1,0,0,1,0,0|1,0,0]=3 246 B12R1.861 OC(=O)CCC1NC(=O)OC1=O Amb25700913 [1,0,0,1,0,0|1,0,0]=3 247 B12R1.861 OC(=O)CC[C@@H]1NC(=O)NC1=O Amb19517081 [1,0,0,1,0,0|1,0,0]=3 248 B12R1.861 OC(=O)CC[C@@H]1NC(=O)OC1=O Amb25774949 [1,0,0,1,0,0|1,0,0]=3 249 B12R1.111 CC=1CC(CC1C(O)=O)C(O)=O Amb25768923 [1,0,0,1,0,0|1,0,1]=4 250 B12R1.111 CN1CC(CC1C(O)=O)C(O)=O Amb24614460 [1,0,0,1,0,0|2,0,0]=4 251 B12R1.111 C[C@H]1C[C@H](C[C@H]1C(O)=O)C(O)=O Amb24512158 [1,0,0,1,0,0|1,0,1]=4 252 B12R1.111 OC(=O)[C@@H]1CC(C(=O)N1)C(O)=O Amb24341554 [1,0,0,1,0,0|0,0,0]=2 253 B12R1.213 CC(=O)NC1C(NC1=O)C(O)=O Amb25708498 [1,0,0,1,0,0|2,0,0]=4 254 B12R1.213 C[C@@H]1N[C@@H]([C@H]1CC(O)=O)C(O)=O Amb24693987 [1,0,0,1,0,0|0,0,1]=3 255 B12R1.258 NC(=O)C1CC(CCN1)C(O)=O Amb20669376 [1,0,0,1,0,0|1,0,1]=4 256 B12R1.258 OC(=O)C1CC(CC=C1)C(O)=O Amb25108620 [1,0,0,1,0,0|1,0,0]=3 257 B12R1.258 OC(=O)C1CC(CCN1)C(O)=O Amb18647703 [1,0,0,1,0,0|0,0,1]=3 258 B12R1.258 OC(=O)C1CNCC(C1)C(=O)O Amb13885741 [1,0,0,1,0,0|2,0,0]=4 259 B12R1.258 OC(=O)C1C[C@@H](CCC1)C(O)=O Amb25111123 [1,0,0,1,0,0|1,0,1]=4 260 B12R1.258 OC(=O)[C@@H]1CCN[C@@H](C1)C(=O)O Amb13885721 [1,0,0,1,0,0|0,0,1]=3 261 B12R1.258 OC(=O)[C@@H]1C[C@@H](CC=C1)C(O)=O Amb25109542 [1,0,0,1,0,0|1,0,0]=3 262 B12R1.258 OC(=O)[C@@H]1C[C@H](CC=C1)C(O)=O Amb25210817 [1,0,0,1,0,0|1,0,0]=3 263 B12R1.258 OC(=O)[C@@H]1C[C@H](CCC1)C(O)=O Amb22899260 [1,0,0,1,0,0|1,0,1]=4 264 B12R1.258 OC(=O)[C@H]1C[C@@H](CC=C1)C(O)=O Amb25766013 [1,0,0,1,0,0|1,0,0]=3 265 B12R1.258 OC(=O)[C@H]1C[C@@H](CCC1)C(O)=O Amb24725578 [1,0,0,1,0,0|1,0,1]=4 266 B12R1.258 OC(=O)[C@H]1C[C@@H](CCN1)C(O)=O Amb24519628 [1,0,0,1,0,0|0,0,1]=3 267 B12R1.258 OC(=O)[C@H]1C[C@H](CCN1)C(O)=O Amb24672560 [1,0,0,1,0,0|0,0,1]=3 268 B12R1.274 CCCC1CC(OC1=O)C(O)=O Amb17705263 [1,0,0,1,0,0|1,0,1]=4 269 B12R1.392 OC(=O)CC1CCNC1C(O)=O Amb18127007 [1,0,0,1,0,0|0,0,1]=3 270 B12R1.392 OC(=O)CC1CNCC1C(O)=O Amb25288102 [1,0,0,1,0,0|2,0,0]=4 271 B12R1.392 OC(=O)C[C@@H]1CCC[C@@H]1C(O)=O Amb25348218 [1,0,0,1,0,0|1,0,1]=4 272 B12R1.392 OC(=O)C[C@H]1CCC[C@H]1C(O)=O Amb24602457 [1,0,0,1,0,0|1,0,1]=4 273 B12R1.392 OC(=O)C[C@H]1CCNC1C(O)=O Amb25069554 [1,0,0,1,0,0|0,0,1]=3 274 B12R1.392 OC(=O)C[C@H]1CCN[C@@H]1C(O)=O Amb25326507 [1,0,0,1,0,0|0,0,1]=3 275 B12R1.1218 OC(=O)C1CCC(=O)OC(=O)N1 Amb25108106 [1,0,0,1,0,0|0,0,0]=2 276 B12R1.1493 C=CCC1(CCC(=O)O1)C(O)=O Amb25232629 [1,0,0,1,0,0|1,0,1]=4 277 B12R1.261 CC(=O)N1C=CSCC1C(O)=O Amb24634166 [1,0,0,1,0,0|2,0,0]=4 278 B12R1.261 CC(=O)N1CCCCC1C(=O)O Amb1113381 [1,0,0,1,0,0|1,0,1]=4 279 B12R1.261 CC(=O)N1CCCC[C@@H]1C(O)=O Amb25715695 [1,0,0,1,0,0|1,0,1]=4 280 B12R1.261 CC(=O)N1CCCC[C@H]1C(O)=O Amb25336488 [1,0,0,1,0,0|1,0,1]=4 281 B12R1.276 CCCC1CC(=O)NC1C(O)=O Amb25732823 [1,0,0,1,0,0|1,0,1]=4 282 B12R1.427 CC(=O)NC1(CC1CO)C(O)=O Amb25764366 [1,0,0,1,0,0|0,0,1]=3 283 B12R1.427 CC(=O)N[C@@]1(C[C@@H]1CO)C(O)=O Amb24546436 [1,0,0,1,0,0|0,0,1]=3 284 B12R1.498 CC(=O)N1C(=O)CCN1C(C)=O Amb24062254 [1,0,0,1,0,0|2,0,0]=4 285 B12R1.498 CC(=O)N1C(CCC1=O)C(=O)Cl Amb24399248 [1,0,0,1,0,0|1,0,0]=3 286 B12R1.498 CC(=O)N1C(CCC1=O)C(C)=O Amb25034653 [1,0,0,1,0,0|1,0,0]=3 287 B12R1.498 CC(=O)N1C(COC1=O)C(O)=O Amb25689513 [1,0,0,1,0,0|1,0,0]=3 288 B12R1.498 CC(=O)N1[C@@H](CCC1=O)C(O)=O Amb24635710 [1,0,0,1,0,0|0,0,0]=2 289 B12R1.498 CC(C)N1[C@@H](CCC1=O)C(O)=O Amb25294494 [1,0,0,1,0,0|1,0,1]=4 290 B12R1.498 NC(=N)N1C(CCC1=O)C(O)=O Amb24439523 [1,0,0,1,0,0|2,0,0]=4 291 B12R1.498 OC(=O)C1CCC(=O)N1C(=O)C Amb17334836 [1,0,0,1,0,0|0,0,0]=2 292 B12R1.871 CC(=O)NC1(CCC1=C)C(O)=O Amb24390254 [1,0,0,1,0,0|1,0,0]=3 293 B12R1.871 CC(=O)N[C@@]1(CC[C@@H]1C)C(O)=O Amb25227462 [1,0,0,1,0,0|1,0,1]=4 294 B12R1.1813 CC(=O)N[C@H](C1CCC1)C(O)=O Amb22641895 [1,0,0,1,0,0|1,0,1]=4 295 B12R1.1852 CC(=O)OC1CC(CO)OC1=O Amb24379860 [1,0,0,1,0,0|1,0,1]=4 296 B12R1.3171 CC(=O)NC1(CSCC1)C(O)=O Amb18956249 [1,0,0,1,0,0|2,0,0]=4 297 B12R1.3579 CC(=O)NC(CC1CC1)C(O)=O Amb22489683 [1,0,0,1,0,0|1,0,1]=4 298 B12R1.3579 CC(=O)N[C@@H](CC1CC1)C(O)=O Amb22747004 [1,0,0,1,0,0|1,0,1]=4 299 B12R1.895 CC(=O)CCC1C(=O)CCC1=O Amb19134320 [0,0,0,1,1,0|2,0,0]=4 300 B12R1.895 CC1COC(=O)C1CCC(O)=O Amb18647585 [0,0,0,1,1,0|1,0,1]=4 301 B12R1.895 OC(=O)CCC1C(=NNC1=O)C Amb2499780 [0,0,0,1,1,0|2,0,0]=4 302 B12R1.895 OC(=O)CCN1C(=O)CCC1=O Amb1151949 [0,0,0,1,1,0|2,0,0]=4 303 B12R1.895 OC(=O)CCN1C(=O)CNC1=O Amb1127379 [0,0,0,1,1,0|2,0,0]=4 304 B12R1.895 OC(=O)CCN1C(=O)CSC1=O Amb1128218 [0,0,0,1,1,0|1,1,0]=4 305 B12R1.1380 CC(C)C1(CC1C(O)=O)C(O)=O Amb25189525 [0,0,0,1,1,0|1,0,1]=4 306 B12R1.1380 CC(C)[C@@]1(C[C@@H]1C(O)=O)C(O)=O Amb24745841 [0,0,0,1,1,0|1,0,1]=4 307 B12R1.1380 OC(=O)C1CC1(C(=O)O)C(=O)O Amb1199910 [0,0,0,1,1,0|1,0,0]=3 308 B12R1.1822 CC1(C)[C@H](CC(O)=O)[C@H]1C(O)=O Amb25363312 [0,0,0,1,1,0|1,0,1]=4 309 B12R1.3802 CC(C)C1(CCC(=O)O1)C(O)=O Amb25362155 [0,0,0,1,1,0|1,0,1]=4 310 B12R1.3802 OC(=O)C1(CC(=O)CC1)C(O)=O Amb25299444 [0,0,0,1,1,0|2,0,0]=4 311 B12R1.127 CC(=O)NC1CC(=O)NOC1=O Amb24411568 [0,0,0,1,1,0|1,0,0]=3 312 B12R1.127 NC(=O)C[C@@H]1NC(=O)CNC1=O Amb25151043 [0,0,0,1,1,0|2,0,0]=4 313 B12R1.127 OC(=O)CC1CC(=O)CCC1=O Amb18647270 [0,0,0,1,1,0|2,0,0]=4 314 B12R1.127 OC(=O)CN1NC(=O)CCC1=O Amb23554954 [0,0,0,1,1,0|2,0,0]=4 315 B12R1.127 OC(=O)C[C@@H]1NC(=O)CNC1=O Amb22800920 [0,0,0,1,1,0|1,0,0]=3 316 B12R1.850 CC(=O)N1CC(=S)CC1C(O)=O Amb24566181 [0,0,0,1,1,0|1,1,0]=4 317 B12R1.850 CC(=O)N1CC(=S)C[C@H]1C(O)=O Amb24693844 [0,0,0,1,1,0|1,1,0]=4 318 B12R1.850 CC(=O)N1CC(O)C[C@@H]1C(O)=O Amb18794751 [0,0,0,1,1,0|1,0,1]=4 319 B12R1.850 CC(=O)N1CS(=O)C[C@@H]1C(O)=O Amb24390255 [0,0,0,1,1,0|2,0,0]=4 320 B12R1.850 CC(=O)N1C[C@@H](O)C[C@@H]1C(O)=O Amb22746162 [0,0,0,1,1,0|1,0,1]=4 321 B12R1.850 CC(=O)N1NC(=O)CC1C(O)=O Amb18647579 [0,0,0,1,1,0|1,0,0]=3 322 B12R1.850 CC=1CC(C(C1)C(O)=O)C(O)=O Amb25786733 [0,0,0,1,1,0|2,0,0]=4 323 B12R1.850 CC=1C[C@H]([C@@H](C1)C(O)=O)C(O)=O Amb24552917 [0,0,0,1,1,0|2,0,0]=4 324 B12R1.850 CC=1C[C@H]([C@H](C1)C(O)=O)C(O)=O Amb24602479 [0,0,0,1,1,0|2,0,0]=4 325 B12R1.850 NC(=O)C1CC(=O)NC1C(O)=O Amb25159599 [0,0,0,1,1,0|1,0,0]=3 326 B12R1.850 NC(=O)[C@@H]1CC(=O)N[C@H]1C(O)=O Amb25321013 [0,0,0,1,1,0|1,0,0]=3 327 B12R1.850 O=C1CC(N(C1)C(=O)C)C(=O)O Amb17334835 [0,0,0,1,1,0|1,0,0]=3 328 B12R1.850 OC(=O)C1CC(=O)NC1C(O)=O Amb24724568 [0,0,0,1,1,0|0,0,0]=2 329 B12R1.850 OC(=O)C1CC(=O)N[C@@H]1C(O)=O Amb25269453 [0,0,0,1,1,0|0,0,0]=2 330 B12R1.850 OC(=O)C1CC(=O)OC1C(O)=O Amb17678843 [0,0,0,1,1,0|1,0,0]=3 331 B12R1.850 OC(=O)C1OC(=O)OC1C(O)=O Amb24447162 [0,0,0,1,1,0|2,0,0]=4 332 B12R1.850 OC(=O)[C@@H]1CC(=O)C[C@H]1C(O)=O Amb25168932 [0,0,0,1,1,0|1,0,0]=3 333 B12R1.850 OC(=O)[C@@H]1CC(=O)O[C@H]1C(O)=O Amb25347174 [0,0,0,1,1,0|1,0,0]=3 334 B12R1.850 OC(=O)[C@H]1CC(=O)N[C@H]1C(O)=O Amb25201491 [0,0,0,1,1,0|0,0,0]=2 335 B12R1.850 OC(=O)[C@H]1NC(=O)N[C@H]1C(O)=O Amb24442956 [0,0,0,1,1,0|1,0,0]=3 336 B12R1.850 OC(=O)[C@H]1NC(=O)O[C@H]1C(O)=O Amb25314550 [0,0,0,1,1,0|1,0,0]=3 337 B12R1.850 OC1CC(N(C1)C(=O)C)C(=O)O Amb1117705 [0,0,0,1,1,0|1,0,1]=4 338 B12R1.1383 OC(=O)[C@@H]1[C@@H]([C@@H]1C(O)=O)C(O)=O Amb24365988 [0,0,0,1,1,0|2,0,0]=4 339 B12R1.1383 OC(=O)[C@@H]1[C@H]([C@H]1C(O)=O)C(O)=O Amb24341793 [0,0,0,1,1,0|2,0,0]=4 340 B12R1.3005 OC(=O)C1CP(=O)(S)CC(=O)N1 Amb24401655 [0,0,0,1,1,0|1,1,0]=4 341 B12R1.3005 OC(=O)[C@@H]1CC(O)(O)CC(=O)N1 Amb24353892 [0,0,0,1,1,0|0,0,2]=4 342 B14R1.164 CC(=O)C1COC(=O)CC1CC(O)=O Amb24418377 [0,0,0,1,0,1|2,0,0]=4 343 B14R1.164 CC1CNC(C(CC(O)=O)C1)C(O)=O Amb24647725 [0,0,0,1,0,1|1,0,1]=4 344 B14R1.6375 CC(C)C1NC(CC1C(O)=O)C(O)=O Amb24638224 [0,0,0,1,0,1|1,0,1]=4 345 B14R1.6375 OC(=O)C1CC(C(C1)C(O)=O)C(O)=O Amb18653740 [0,0,0,1,0,1|2,0,0]=4 346 B14R1.6375 OC(=O)[C@@H]1C[C@H](N[C@@H]1C(O)=O)C(O)=O Amb24513250 [0,0,0,1,0,1|1,0,0]=3 347 B14R1.124 CC(=O)NC1CNC(CC1O)C(O)=O Amb24420347 [0,0,0,1,0,1|1,0,1]=4 348 B14R1.1502 NC(=O)NC1(CCC1C(O)=O)C(O)=O Amb24521281 [0,0,0,1,0,1|1,0,0]=3 349 B14R1.4274 CC(=O)NC(C(O)=O)=C1CNC(=O)O1 Amb25790620 [0,0,0,1,0,1|0,0,2]=4 350 B14R1.4274 CC(=O)NC(C1CC(=O)CC1)C(O)=O Amb24622409 [0,0,0,1,0,1|1,0,0]=3 351 B14R1.4274 CC(=O)NC(C1CNC(=O)O1)C(C)=O Amb24374034 [0,0,0,1,0,1|1,0,0]=3 352 B14R1.4329 CC(=O)NC1CN(CC(O)=O)CC1O Amb25825186 [0,0,0,1,0,1|1,0,1]=4 353 B14R1.6401 CC(=O)N1C(CSC1C(O)=O)C(O)=O Amb25743012 [0,0,0,1,0,1|0,0,0]=2 354 B14R1.6401 OC(=O)C1C(CCC1C(O)=O)C(O)=O Amb18653738 [0,0,0,1,0,1|2,0,0]=4 355 B14R1.6401 OC(=O)C=1C(CCC1C(O)=O)C(O)=O Amb18653170 [0,0,0,1,0,1|2,0,0]=4 356 B14R1.6401 OC(=O)[C@@H]1[C@H](CC[C@H]1C(O)=O)C(O)=O Amb25785592 [0,0,0,1,0,1|2,0,0]=4 357 B14R1.3145 CN1C(CC(=O)CC1C(O)=O)C(O)=O Amb18187252 [0,1,0,1,0,0|2,0,0]=4 358 B14R1.4358 CC(=O)NC1C(O)C(OC1=O)C(C)O Amb25112135 [0,1,0,1,0,0|1,0,1]=4 359 B14R1.4358 CC(=O)N[C@@H]1[C@@H](O)C(OC1=O)[C@@H](C)O Amb25346383 [0,1,0,1,0,0|1,0,1]=4 360 B14R1.13141 OC(=O)CC1(OC(=O)CC1O)C(O)=O Amb24521273 [0,1,0,1,0,0|2,0,0]=4 361 B14R1.13141 OC(=O)C[C@@]1(OC(=O)C[C@@H]1O)C(O)=O Amb25366403 [0,1,0,1,0,0|2,0,0]=4 362 B14R1.13264 CC(=O)O[C@@H]1COC(=O)[C@@H]1NC(C)=O Amb25229103 [0,1,0,1,0,0|2,0,0]=4 363 B14R1.14211 NC1C(CC(NC1=O)C(O)=O)C(O)=O Amb25313086 [0,1,0,1,0,0|0,0,0]=2 364 B14R1.712 COC(=O)C1CC(=O)CC(N1)C(O)=O Amb18187253 [0,1,0,1,0,0|2,0,0]=4 365 B14R1.712 COC(=O)C1CC(=O)NN(C1)C(=O)N Amb2437242 [0,1,0,1,0,0|2,0,0]=4 366 B14R1.712 COC(=O)[C@@H]1CC(CC(=O)N1)C(=O)S Amb24381505 [0,1,0,1,0,0|0,1,0]=3 367 B14R1.3150 CN1CC(=O)NC(CCC(O)=O)C1=O Amb25682402 [0,1,0,1,0,0|1,0,0]=3 368 B14R1.707 COC(=O)N1CC(=O)NCC1C(O)=O Amb25308480 [0,1,0,1,0,0|2,0,0]=4 369 B14R1.707 COC(=O)N1C[C@H](O)CC[C@H]1C(O)=O Amb24512933 [0,1,0,1,0,0|1,0,1]=4 370 B14R1.4353 CC1C(CC(O)=O)C(OC1=O)C(O)=O Amb25063136 [0,1,0,1,0,0|1,0,0]=3 371 B14R1.6036 C[C@@H]1NC(=O)[C@H](CCC(N)=O)NC1=O Amb24621799 [0,1,0,1,0,0|2,0,0]=4 372 B14R1.6036 C[C@@H]1NC(=O)[C@H](CCC(O)=O)NC1=O Amb22747873 [0,1,0,1,0,0|1,0,0]=3 373 B14R1.681 CC(=O)NC1(CCC(O)CC1)C(O)=O Amb25166161 [0,1,0,1,0,0|1,0,1]=4 374 B14R1.681 CC(=O)N[C@]1(CC[C@@H](O)CC1)C(O)=O Amb25827540 [0,1,0,1,0,0|1,0,1]=4 375 B14R1.3299 COC(=O)C[C@@H]1NC(=O)C[C@H]1C(O)=O Amb18810368 [0,1,0,1,0,0|2,0,0]=4 376 B14R1.7748 CC(=O)NC1CC(OC1=O)C(=O)OC Amb24402140 [0,1,0,1,0,0|0,0,0]=2 377 B14R1.4350 C=C1CC(C(N)C(O)=O)C(C1)C(O)=O Amb25817544 [0,1,0,1,0,0|2,0,0]=4 378 B14R1.4350 C=C1C[C@@H]([C@H](N)C(O)=O)[C@H](C1)C(O)=O Amb24634051 [0,1,0,1,0,0|2,0,0]=4 379 B14R1.13113 CC1(CC(CC(O)=O)C(=O)O1)C(O)=O Amb24640320 [0,1,0,1,0,0|2,0,0]=4 380 B14R1.15555 CC1(CC(CC(=O)O1)C(O)=O)C(O)=O Amb25743000 [0,1,0,1,0,0|1,0,0]=3 381 B14R2.31392 OC(=O)[C@H]1N[C@@H]2C[C@@H]([C@H]1C2)C(O)=O Amb24652360 [0,0,0,2,0,0|1,0,1]=4 382 B14R2.8416 NC(=O)C12CCC(=O)N1CC(=O)N2 Amb24101783 [0,0,0,2,0,0|2,0,0]=4 383 B14R2.8416 OC(=O)C12CCC(=O)N1CC(=O)N2 Amb24101784 [0,0,0,2,0,0|1,0,0]=3 384 B14R2.13402 OC(=O)[C@]12CC(=O)O[C@H]1CC(=O)O2 Amb24512211 [0,0,0,2,0,0|2,0,0]=4 385 B10R0.70 CC(=O)NC(CC(C)=O)C=C Amb25384399 [1,0,0,0,1,0|2,0,0]=4 386 B10R0.70 CC(=O)NC(CC(O)=O)CC Amb25384609 [1,0,0,0,1,0|1,0,1]=4 387 B10R0.70 CC(=O)NC(CC(O)=O)CN Amb18645288 [1,0,0,0,1,0|1,0,1]=4 388 B10R0.70 CC(=O)NC(CC(O)=O)CO Amb25386029 [1,0,0,0,1,0|0,0,1]=3 389 B10R0.70 CC(=O)N[C@H](CC(O)=O)CC Amb25383139 [1,0,0,0,1,0|1,0,1]=4 390 B10R0.17 CC(=O)\C(\CCC=O)=C(/C)\O Amb25384549 [1,0,0,0,1,0|1,0,1]=4 391 B10R0.162 CC(=C)C(CC(O)=O)C(O)=O Amb18644989 [0,0,0,0,2,0|1,0,0]=3 392 B10R0.162 CC(C)C(CC(O)=O)C(O)=O Amb18645268 [0,0,0,0,2,0|1,0,1]=4 393 B10R0.162 CN(C)C(CC(O)=O)C(O)=O Amb18126273 [0,0,0,0,2,0|2,0,0]=4 394 B10R0.162 CN(C)[C@H](CC(O)=O)C(O)=O Amb25386307 [0,0,0,0,2,0|2,0,0]=4 395 B10R0.162 [O-][N+](=O)[C@@H](CC(O)=O)C(O)=O Amb24762931 [0,0,0,0,2,0|2,0,0]=4 396 B12R0.136 OC(=O)CCCN(C(=O)C)C(=O)C Amb17234376 [0,0,0,0,1,1|2,0,0]=4 397 B12R0.41 OC(=O)CC(CC(O)=O)CC(O)=O Amb22486810 [0,0,0,0,1,1|2,0,0]=4 398 B12R0.41 OC(=O)CN(NC(=O)N)CC(=O)O Amb1146051 [0,0,0,0,1,1|2,0,0]=4 399 B14R0.225 CC(=O)N(CCNC(C)=O)CCC(O)=O Amb18096457 [0,0,0,0,0,2|2,0,0]=4 400 B14R0.2681 CC(=O)N[13CH]([13CH2]SCCC(O)=O)[13C](O)=O Amb22054197 [0,0,0,0,0,2|0,0,0]=2 401 B14R0.2681 NC(=O)NCCC[C@@H](C(=O)O)NC(=O)C Amb16232063 [0,0,0,0,0,2|1,0,0]=3 402 B14R0.2681 OC(=O)CCSC[C@@H](C(=O)O)NC(=O)C Amb17607400 [0,0,0,0,0,2|0,0,0]=2