0 B12R0.138 C=C(C)CCC(NC(C)=O)C(=O)O Amb33308627 [0,0,0,0,0,0|2,0,0]=2 1 B12R0.138 CC(=O)CCC(NC(C)=O)C(=O)O Amb33036575 [0,0,0,0,0,0|1,0,0]=1 2 B12R0.138 CC(=O)N(CCC(=O)O)CC(=O)O Amb18611636 [0,0,0,0,0,0|4,0,0]=4 3 B12R0.138 CC(=O)NC(CC=C(C)C)C(=O)O Amb33042720 [0,0,0,0,0,0|2,0,1]=3 4 B12R0.138 CC(=O)NC(CC=C(Cl)Cl)C(=O)O Amb32867933 [0,0,0,0,0,0|2,0,1]=3 5 B12R0.138 CC(=O)NC(CCC(=O)O)C(=O)O Amb533294 [0,0,0,0,0,0|0,0,0]=0 6 B12R0.138 CC(=O)NC(CCC(=O)O)C(C)C Amb32430201 [0,0,0,0,0,0|2,0,1]=3 7 B12R0.138 CC(=O)NC(CCC(C)C)C(=O)O Amb28555942 [0,0,0,0,0,0|2,0,1]=3 8 B12R0.138 CC(=O)NC(CCC(C)N)C(=O)O Amb32455360 [0,0,0,0,0,0|2,0,1]=3 9 B12R0.138 CC(=O)NC(CCC(C)O)C(=O)O Amb32455361 [0,0,0,0,0,0|1,0,1]=2 10 B12R0.138 CC(=O)NC(CCC(N)=O)C(=O)O Amb6661579 [0,0,0,0,0,0|1,0,0]=1 11 B12R0.138 CC(=O)NC(CCN(C)C)C(=O)O Amb33309026 [0,0,0,0,0,0|3,0,0]=3 12 B12R0.138 CC(=O)NC(CCS(C)=O)C(=O)O Amb33065752 [0,0,0,0,0,0|2,0,0]=2 13 B12R0.138 CC(=O)NC(COC(C)C)C(=O)O Amb32788602 [0,0,0,0,0,0|3,0,1]=4 14 B12R0.138 CC(=O)N[C@@H](CCC(=O)O)C(=O)O Amb2719700 [0,0,0,0,0,0|0,0,0]=0 15 B12R0.138 CC(=O)N[C@@H](CCC(N)=O)C(=O)O Amb3939919 [0,0,0,0,0,0|1,0,0]=1 16 B12R0.138 CC(=O)N[C@@H](CCS(C)=O)C(=O)O Amb22799513 [0,0,0,0,0,0|2,0,0]=2 17 B12R0.138 CC(=O)N[C@H](CCC(=O)O)C(=O)O Amb6295801 [0,0,0,0,0,0|0,0,0]=0 18 B12R0.138 CC(=O)N\C(=C\CC(=O)O)C(=O)O Amb27488855 [0,0,0,0,0,0|0,0,2]=2 19 B12R0.138 CC(=O)SCC(CC(=O)O)C(=O)O Amb20668815 [0,0,0,0,0,0|4,0,0]=4 20 B12R0.138 CC(C)CC(CCC(=O)O)C(=O)O Amb20668896 [0,0,0,0,0,0|2,0,1]=3 21 B12R0.138 NC(=O)NC(CCC(=O)O)C(=O)O Amb1152860 [0,0,0,0,0,0|1,0,0]=1 22 B12R0.138 NC(=O)N[C@@H](CCC(=O)O)C(=O)O Amb16232094 [0,0,0,0,0,0|1,0,0]=1 23 B12R0.138 O=C(O)CCC(CC(=O)O)C(=O)O Amb4006191 [0,0,0,0,0,0|2,0,0]=2 24 B12R0.138 O=C(O)CSC(CC(=O)O)C(=O)O Amb4034647 [0,0,0,0,0,0|3,0,0]=3 25 B11R0.146 C=C(C)CCC(NC=O)C(=O)O Amb33036842 [1,0,0,0,0,0|2,0,0]=3 26 B11R0.146 CC(=O)CCC(NC=O)C(=O)O Amb33309217 [1,0,0,0,0,0|1,0,0]=2 27 B11R0.146 CC(C)=CCC(NC=O)C(=O)O Amb33042689 [1,0,0,0,0,0|2,0,1]=4 28 B11R0.146 CC(C)CCC(NC=O)C(=O)O Amb33066147 [1,0,0,0,0,0|2,0,1]=4 29 B11R0.146 CC(O)CCC(NC=O)C(=O)O Amb33308944 [1,0,0,0,0,0|1,0,1]=3 30 B11R0.146 CCCC(CCC(C)=O)C(=O)O Amb533087 [1,0,0,0,0,0|2,0,1]=4 31 B11R0.146 CCN[C@@H](CCC(N)=O)C(=O)O Amb16232996 [1,0,0,0,0,0|1,0,1]=3 32 B11R0.146 CN(C)CCC(NC=O)C(=O)O Amb33036865 [1,0,0,0,0,0|3,0,0]=4 33 B11R0.146 CS(=O)CCC(NC=O)C(=O)O Amb33065731 [1,0,0,0,0,0|2,0,0]=3 34 B11R0.146 O=CNC(CC=C(Cl)Cl)C(=O)O Amb33036854 [1,0,0,0,0,0|2,0,1]=4 35 B11R0.146 O=CN\C(=C\CC(=O)O)C(=O)O Amb27592158 [1,0,0,0,0,0|0,0,2]=3 36 B11R0.160 C#CCCC(NC(C)=O)C(=O)O Amb33042801 [1,0,0,0,0,0|1,0,1]=3 37 B11R0.160 C=CCCC(NC(C)=O)C(=O)O Amb33042697 [1,0,0,0,0,0|1,0,0]=2 38 B11R0.160 CC#CCC(NC(C)=O)C(=O)O Amb25949940 [1,0,0,0,0,0|1,0,2]=4 39 B11R0.160 CC(=O)NC(CCC#N)C(=O)O Amb33308987 [1,0,0,0,0,0|1,0,1]=3 40 B11R0.160 CC(=O)NC(CCCF)C(=O)O Amb33308610 [1,0,0,0,0,0|1,0,1]=3 41 B11R0.160 CC(=O)NC(CCCO)C(=O)O Amb33036789 [1,0,0,0,0,0|0,0,1]=2 42 B11R0.160 CC(=O)NC(C\C=C\Cl)C(=O)O Amb33037024 [1,0,0,0,0,0|1,0,1]=3 43 B11R0.160 CCCCC(NC(C)=O)C(=O)O Amb2732387 [1,0,0,0,0,0|1,0,1]=3 44 B11R0.160 CCCCC(NC(N)=O)C(=O)O Amb9329824 [1,0,0,0,0,0|2,0,1]=4 45 B11R0.160 CCCC[C@H](NC(C)=O)C(=O)O Amb2732388 [1,0,0,0,0,0|1,0,1]=3 46 B11R0.160 CCOCC(NC(C)=O)C(=O)O Amb33308943 [1,0,0,0,0,0|2,0,1]=4 47 B11R0.160 COCCC(NC(C)=O)C(=O)O Amb13952178 [1,0,0,0,0,0|2,0,0]=3 48 B11R0.160 CSCCC(NC(C)=O)C(=O)O Amb9706349 [1,0,0,0,0,0|2,0,0]=3 49 B11R0.160 CSCCC(NC(C)=O)C(=O)[O-] Amb33513247 [1,0,0,0,0,0|2,0,1]=4 50 B11R0.160 CSCCC(NC(N)=O)C(=O)O Amb1107591 [1,0,0,0,0,0|3,0,0]=4 51 B11R0.160 CSCC[C@@H](NC(C)=O)C(=O)O Amb8629159 [1,0,0,0,0,0|2,0,0]=3 52 B11R0.160 CSCC[C@H](NC(C)=O)C(=O)O Amb2720580 [1,0,0,0,0,0|2,0,0]=3 53 B11R0.160 CSCC[C@H](NC(C)=O)C(N)=O Amb22800241 [1,0,0,0,0,0|3,0,0]=4 54 B11R0.160 CSCC[C@H](NC(N)=O)C(=O)O Amb32668794 [1,0,0,0,0,0|3,0,0]=4 55 B11R0.160 C\C=C\CC(NC(C)=O)C(=O)O Amb33065773 [1,0,0,0,0,0|1,0,1]=3 56 B13R0.253 COC(=O)[C@@H](CSC(C)=O)NC(C)=O Amb30621853 [0,1,0,0,0,0|2,0,0]=3 57 B13R0.253 COC(=O)[C@H](CCC(=O)O)NC(C)=O Amb22745968 [0,1,0,0,0,0|0,0,0]=1 58 B13R0.256 NCC(=O)NC(CCC(N)=O)C(=O)O Amb3990294 [0,1,0,0,0,0|1,0,0]=2 59 B13R0.256 NCC(=O)N[C@@H](CCC(N)=O)C(=O)O Amb10807525 [0,1,0,0,0,0|1,0,0]=2 60 B13R0.256 NCC(=O)N[C@H](CCC(N)=O)C(=O)O Amb22745260 [0,1,0,0,0,0|1,0,0]=2 61 B13R0.256 NCC(=O)N[C@H](CCC(N)=O)C(=O)O Amb22747683 [0,1,0,0,0,0|1,0,0]=2 62 B13R0.256 O=C(O)CCC(NC(=O)CCl)C(=O)O Amb24093584 [0,1,0,0,0,0|0,0,0]=1 63 B13R0.432 CNC(=O)SC[C@@H](NC(C)=O)C(=O)O Amb33872313 [0,1,0,0,0,0|2,0,0]=3 64 B13R0.617 CC(=O)NC(C)(CCC(C)C)C(=O)O Amb23443355 [0,1,0,0,0,0|2,0,1]=4 65 B13R0.815 CC(=O)NC(CCC(=O)O)C(F)(F)F Amb32430158 [0,1,0,0,0,0|2,0,1]=4 66 B13R0.1418 CS(=O)(=O)NC(CCC(=O)O)C(=O)O Amb17466622 [0,1,0,0,0,0|1,0,0]=2 67 B13R0.1418 CS(=O)(=O)NC(CCC(N)=O)C(=O)O Amb6245716 [0,1,0,0,0,0|2,0,0]=3 68 B13R1.126 NC(=O)C1CC(C(N)=O)NC(=O)N1 Amb27179088 [0,0,0,1,0,0|3,0,0]=4 69 B13R1.126 O=C(O)C1CC(O)CC(C(=O)O)C1 Amb4007881 [0,0,0,1,0,0|1,0,2]=4 70 B13R1.126 O=C(O)[C@@H]1C[C@H](O)C[C@H](C(=O)O)C1 Amb33017247 [0,0,0,1,0,0|1,0,2]=4 71 B13R1.126 O=C1C=C(C(=O)O)CC(C(=O)O)O1 Amb28136984 [0,0,0,1,0,0|1,0,2]=4 72 B13R1.126 O=C1C=C(C(=O)O)NC(C(=O)O)C1 Amb27759301 [0,0,0,1,0,0|2,0,1]=4 73 B13R1.126 O=C1C=C(C(=O)O)N[C@H](C(=O)O)C1 Amb28343158 [0,0,0,1,0,0|2,0,1]=4 74 B13R1.126 O=C1CC(C(=O)O)CC(C(=O)O)O1 Amb27400352 [0,0,0,1,0,0|1,0,0]=2 75 B13R1.126 O=C1CC(C(=O)O)NC(C(=O)O)C1 Amb18821779 [0,0,0,1,0,0|2,0,0]=3 76 B13R1.126 O=C1CC(C(=O)O)OC(C(=O)O)C1 Amb24651041 [0,0,0,1,0,0|2,0,0]=3 77 B13R1.126 O=C1C[C@@H](C(=O)O)N[C@@H](C(=O)O)C1 Amb27415555 [0,0,0,1,0,0|2,0,0]=3 78 B13R1.126 O=C1C[C@H](C(=O)O)C[C@H](C(=O)O)O1 Amb27848080 [0,0,0,1,0,0|1,0,0]=2 79 B13R1.126 O=C1NC(C(=O)O)=CC(C(=O)O)N1 Amb28119861 [0,0,0,1,0,0|1,0,2]=4 80 B13R1.126 O=C1NC(C(=O)O)CC(C(=O)O)N1 Amb25232632 [0,0,0,1,0,0|1,0,0]=2 81 B13R1.138 CC(=O)OC1CC(C(=O)O)OC1C Amb28340789 [0,0,0,1,0,0|2,0,1]=4 82 B13R1.138 CC(C)CC1CC(C(=O)O)OC1=O Amb27179208 [0,0,0,1,0,0|2,0,1]=4 83 B13R1.165 CC(=O)N1CC(=O)NCC1C(=O)O Amb27167433 [0,0,0,1,0,0|2,0,0]=3 84 B13R1.165 CC(=O)N1NC(=O)CCC1C(=O)O Amb26843044 [0,0,0,1,0,0|1,0,0]=2 85 B13R1.165 CS(=O)N1CC(=O)NCC1C(=O)O Amb27243801 [0,0,0,1,0,0|3,0,0]=4 86 B13R1.165 O=C1CCC(C(=O)O)C(C(=O)O)C1 Amb28397336 [0,0,0,1,0,0|3,0,0]=4 87 B13R1.165 O=C1CCC(C(=O)O)C(C(=O)O)O1 Amb28127624 [0,0,0,1,0,0|2,0,0]=3 88 B13R1.165 O=C1CC[C@@H](C(=O)O)[C@@H](C(=O)O)C1 Amb33249772 [0,0,0,1,0,0|3,0,0]=4 89 B13R1.165 O=C1CC[C@H](C(=O)O)[C@H](C(=O)O)C1 Amb25264131 [0,0,0,1,0,0|3,0,0]=4 90 B13R1.893 CC(=O)CCN1NC(=O)CCC1=O Amb27843570 [0,0,0,1,0,0|3,0,0]=4 91 B13R1.893 NC(=O)CCC1NC(=O)CNC1=O Amb26847981 [0,0,0,1,0,0|2,0,0]=3 92 B13R1.893 NC(=O)CC[C@@H]1NC(=O)CNC1=O Amb22757065 [0,0,0,1,0,0|2,0,0]=3 93 B13R1.893 O=C(O)CCC1NC(=O)CNC1=O Amb24677894 [0,0,0,1,0,0|1,0,0]=2 94 B13R1.893 O=C(O)CCN1NC(=O)C=CC1=O Amb18303252 [0,0,0,1,0,0|2,0,1]=4 95 B13R1.893 O=C(O)CC[C@@H]1NC(=O)CNC1=O Amb22799942 [0,0,0,1,0,0|1,0,0]=2 96 B13R1.1012 CC(=O)[C@H]1C[C@@H](C(=O)O)[C@@H]1C(=O)O Amb27419984 [0,0,0,1,0,0|3,0,0]=4 97 B13R1.1053 CC1(O)CC(C(=O)O)CC1C(=O)O Amb27873192 [0,0,0,1,0,0|1,0,2]=4 98 B13R1.2015 CC1(C)C[C@@H](C(=O)O)[C@@H]1CC(=O)O Amb28244798 [0,0,0,1,0,0|2,0,1]=4 99 B13R1.2015 CC1(C)C[C@@H](C(=O)O)[C@H]1CC(=O)O Amb27477851 [0,0,0,1,0,0|2,0,1]=4 100 B13R1.2023 CC(=O)NC1(C(=O)O)CC1C(=O)O Amb27883450 [0,0,0,1,0,0|0,0,0]=1 101 B13R1.3487 CC(C)CC1CC(=O)NC1C(=O)O Amb27407450 [0,0,0,1,0,0|2,0,1]=4 102 B13R1.3487 CC(C)[C@@H]1NC(=O)C[C@H]1CC(=O)O Amb18191379 [0,0,0,1,0,0|2,0,1]=4 103 B13R1.3487 O=C(O)CC1CC(=O)OC1C(=O)O Amb17778124 [0,0,0,1,0,0|1,0,0]=2 104 B13R1.3487 O=C(O)CC1OC(=O)CC1C(=O)O Amb27592113 [0,0,0,1,0,0|2,0,0]=3 105 B13R1.3760 CC(=O)NC(CC1CC1C)C(=O)O Amb32937032 [0,0,0,1,0,0|2,0,1]=4 106 B13R1.5889 CC(=O)NC1(C(=O)O)CCC(C)C1 Amb28383646 [0,0,0,1,0,0|2,0,1]=4 107 B13R1.5889 O=C(O)CC1(C(=O)O)CCC(=O)O1 Amb22899792 [0,0,0,1,0,0|2,0,0]=3 108 B13R1.5889 O=C(O)C[C@@]1(C(=O)O)CCC(=O)O1 Amb25966605 [0,0,0,1,0,0|2,0,0]=3 109 B13R1.8761 CC(=O)N1C(C(=O)O)CCC1(C)C Amb26552368 [0,0,0,1,0,0|2,0,1]=4 110 B13R1.8854 CC(=O)NC(CCC1CC1)C(=O)O Amb33309099 [0,0,0,1,0,0|2,0,1]=4 111 B11R0.28 CC(=O)CCC(C(=O)O)C(C)C Amb533059 [0,0,0,0,1,0|2,0,1]=4 112 B11R0.28 CC(=O)N(CCC(=O)O)C(C)=O Amb17232927 [0,0,0,0,1,0|2,0,0]=3 113 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O Amb32674919 [0,0,0,0,1,0|1,0,1]=3 114 B11R0.28 CC(N)C(CCC(=O)O)C(=O)O Amb32674947 [0,0,0,0,1,0|1,0,1]=3 115 B11R0.32 C=C(C)CC(NC(C)=O)C(=O)O Amb6334605 [0,0,0,0,1,0|2,0,0]=3 116 B11R0.32 C=C(C)C[C@H](NC(C)=O)C(=O)O Amb22801708 [0,0,0,0,1,0|2,0,0]=3 117 B11R0.32 C=C(Cl)CC(NC(C)=O)C(=O)O Amb33065887 [0,0,0,0,1,0|2,0,0]=3 118 B11R0.32 CC(=O)C(CC(=O)O)NC(C)C Amb18610978 [0,0,0,0,1,0|2,0,1]=4 119 B11R0.32 CC(=O)CC(NC(C)=O)C(=O)O Amb32679425 [0,0,0,0,1,0|1,0,0]=2 120 B11R0.32 CC(=O)NC(CC(=O)O)C(=O)O Amb3499381 [0,0,0,0,1,0|0,0,0]=1 121 B11R0.32 CC(=O)NC(CC(=O)O)C(C)C Amb33042693 [0,0,0,0,1,0|2,0,1]=4 122 B11R0.32 CC(=O)NC(CC(=O)O)C(N)=O Amb21811914 [0,0,0,0,1,0|1,0,0]=2 123 B11R0.32 CC(=O)NC(CC(C)C)C(=O)O Amb2543580 [0,0,0,0,1,0|2,0,1]=4 124 B11R0.32 CC(=O)NC(CC(C)O)C(=O)O Amb33308548 [0,0,0,0,1,0|1,0,1]=3 125 B11R0.32 CC(=O)NC(CC(F)F)C(=O)O Amb33042687 [0,0,0,0,1,0|2,0,1]=4 126 B11R0.32 CC(=O)NC(CC(N)=O)C(=O)O Amb1118662 [0,0,0,0,1,0|1,0,0]=2 127 B11R0.32 CC(=O)NC(NC(C)=O)C(N)=O Amb28137993 [0,0,0,0,1,0|3,0,0]=4 128 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(=O)O Amb8628593 [0,0,0,0,1,0|0,0,0]=1 129 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(C)C Amb33253810 [0,0,0,0,1,0|2,0,1]=4 130 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(N)=O Amb19374681 [0,0,0,0,1,0|1,0,0]=2 131 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)O Amb2722946 [0,0,0,0,1,0|2,0,1]=4 132 B11R0.32 CC(=O)N[C@@H](CC(N)=O)C(=O)O Amb2755870 [0,0,0,0,1,0|1,0,0]=2 133 B11R0.32 CC(=O)N[C@H](CC(=O)O)C(C)C Amb33308358 [0,0,0,0,1,0|2,0,1]=4 134 B11R0.32 CC(=O)N[C@H](CC(C)C)C(=O)O Amb2732384 [0,0,0,0,1,0|2,0,1]=4 135 B11R0.32 CC(=O)N[C@H](CC(N)=O)C(=O)O Amb2732381 [0,0,0,0,1,0|1,0,0]=2 136 B11R0.32 CC(C)CC(CC(=O)O)C(=O)O Amb33072394 [0,0,0,0,1,0|2,0,1]=4 137 B11R0.32 NC(=O)NC(CC(=O)O)C(=O)O Amb2222280 [0,0,0,0,1,0|1,0,0]=2 138 B11R0.32 NC(=O)NC(NC(N)=O)C(=O)O Amb2760474 [0,0,0,0,1,0|3,0,0]=4 139 B11R0.32 NC(=O)N[C@@H](CC(=O)O)C(=O)O Amb6600046 [0,0,0,0,1,0|1,0,0]=2 140 B11R0.32 O=C(O)CC(CC(=O)O)C(=O)O Amb2611740 [0,0,0,0,1,0|2,0,0]=3 141 B11R0.32 O=C(O)\C=C(/CC(=O)O)C(=O)O Amb6487375 [0,0,0,0,1,0|2,0,1]=4 142 B11R0.32 O=C(O)\C=C(\CC(=O)O)C(=O)O Amb1808152 [0,0,0,0,1,0|2,0,1]=4 143 B13R0.177 C=C(C)CN(CCC(=O)O)CC(=O)O Amb18100608 [0,0,0,0,0,1|3,0,0]=4 144 B13R0.177 NC(=O)CN(CCC(=O)O)CC(=O)O Amb18099462 [0,0,0,0,0,1|3,0,0]=4 145 B13R0.177 O=C(O)CCN(CC(=O)O)CC(=O)O Amb18612091 [0,0,0,0,0,1|3,0,0]=4 146 B13R0.443 CC(=O)NC(CSCC(=O)O)C(=O)O Amb32668336 [0,0,0,0,0,1|0,0,0]=1 147 B13R0.443 CC(=O)N[C@@H](CSCC(=O)O)C(=O)O Amb32668767 [0,0,0,0,0,1|0,0,0]=1 148 B13R0.443 O=C(O)CCNC(CC(=O)O)C(=O)O Amb4019240 [0,0,0,0,0,1|2,0,0]=3 149 B10R0.96 CC(=O)CC(C)CCC(=O)O Amb32667485 [2,0,0,0,0,0|1,0,1]=4 150 B10R0.96 CC(=O)NC(C)CCC(=O)O Amb27492061 [2,0,0,0,0,0|0,0,1]=3 151 B10R0.96 CC(=O)NN(C)CCC(=O)O Amb24764551 [2,0,0,0,0,0|1,0,1]=4 152 B10R0.96 CC(CCC(=O)O)NC(N)=O Amb27492066 [2,0,0,0,0,0|1,0,1]=4 153 B10R0.96 O=C(O)CCC(O)CC(=O)O Amb22727761 [2,0,0,0,0,0|2,0,0]=4 154 B10R0.84 CCC(SCC(=O)O)C(=O)O Amb17501325 [2,0,0,0,0,0|1,0,1]=4 155 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O Amb13884885 [2,0,0,0,0,0|0,0,0]=2 156 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O Amb24117978 [2,0,0,0,0,0|0,0,0]=2 157 B10R0.84 N#CC(CCC(=O)O)C(=O)O Amb27990272 [2,0,0,0,0,0|1,0,1]=4 158 B10R0.88 C#CCCC(NC=O)C(=O)O Amb26077063 [2,0,0,0,0,0|1,0,1]=4 159 B10R0.88 C=CCCC(NC=O)C(=O)O Amb33065581 [2,0,0,0,0,0|1,0,0]=3 160 B10R0.88 CCCCC(NC=O)C(=O)O Amb18179873 [2,0,0,0,0,0|1,0,1]=4 161 B10R0.88 CCCC[C@H](NC=O)C(=O)O Amb33774736 [2,0,0,0,0,0|1,0,1]=4 162 B10R0.88 COCCC(NC=O)C(=O)O Amb18183451 [2,0,0,0,0,0|2,0,0]=4 163 B10R0.88 CSCC[C@@H](NC=O)C(=O)O Amb18180656 [2,0,0,0,0,0|2,0,0]=4 164 B10R0.88 CSCC[C@H](NC=O)C(=O)O Amb16232222 [2,0,0,0,0,0|2,0,0]=4 165 B10R0.88 C\C=C\CC(NC=O)C(=O)O Amb33036726 [2,0,0,0,0,0|1,0,1]=4 166 B10R0.88 N#CCCC(NC=O)C(=O)O Amb25386038 [2,0,0,0,0,0|1,0,1]=4 167 B10R0.88 O=CNC(CCCF)C(=O)O Amb33127554 [2,0,0,0,0,0|1,0,1]=4 168 B10R0.88 O=CNC(CCCO)C(=O)O Amb33037084 [2,0,0,0,0,0|0,0,1]=3 169 B10R0.88 O=CNC(C\C=C\Cl)C(=O)O Amb27492443 [2,0,0,0,0,0|1,0,1]=4 170 B10R0.23 C#CCC(NC(C)=O)C(=O)O Amb19929448 [2,0,0,0,0,0|0,0,2]=4 171 B10R0.23 C#CC[C@H](NC(C)=O)C(=O)O Amb27495396 [2,0,0,0,0,0|0,0,2]=4 172 B10R0.23 C=CCC(NC(C)=O)C(=O)O Amb4013580 [2,0,0,0,0,0|0,0,1]=3 173 B10R0.23 C=CCC(NC(N)=O)C(=O)O Amb27990271 [2,0,0,0,0,0|1,0,1]=4 174 B10R0.23 C=CC[C@@H](NC(C)=O)C(=O)O Amb16182994 [2,0,0,0,0,0|0,0,1]=3 175 B10R0.23 C=CC[C@H](NC(C)=O)C(=O)O Amb24270992 [2,0,0,0,0,0|0,0,1]=3 176 B10R0.23 CC(=O)CC(NC=O)C(=O)O Amb26998851 [2,0,0,0,0,0|2,0,0]=4 177 B10R0.23 CC(=O)NC(CC#N)C(=O)O Amb33127537 [2,0,0,0,0,0|1,0,1]=4 178 B10R0.23 CC(=O)NC(CCF)C(=O)O Amb26651079 [2,0,0,0,0,0|1,0,0]=3 179 B10R0.23 CC(=O)NC(CCO)C(=O)O Amb8631250 [2,0,0,0,0,0|0,0,0]=2 180 B10R0.23 CC(=O)NC(CCS)C(=O)O Amb18127932 [2,0,0,0,0,0|0,1,0]=3 181 B10R0.23 CC(=O)NN(CCO)C(C)=O Amb27989600 [2,0,0,0,0,0|2,0,0]=4 182 B10R0.23 CC(=O)N[C@@H](CCS)C(=O)O Amb27990115 [2,0,0,0,0,0|0,1,0]=3 183 B10R0.23 CCCC(CC(C)=O)C(=O)O Amb533160 [2,0,0,0,0,0|1,0,1]=4 184 B10R0.23 CCCC(NC(C)=O)C(=O)Cl Amb27673640 [2,0,0,0,0,0|1,0,1]=4 185 B10R0.23 CCCC(NC(C)=O)C(=O)O Amb4013563 [2,0,0,0,0,0|0,0,1]=3 186 B10R0.23 CCCC(NC(C)=O)C(N)=O Amb27988366 [2,0,0,0,0,0|1,0,1]=4 187 B10R0.23 CCCC(NC(N)=O)C(=O)O Amb9495809 [2,0,0,0,0,0|1,0,1]=4 188 B10R0.23 CCC[C@@H](NC(C)=O)C(=O)O Amb3941420 [2,0,0,0,0,0|0,0,1]=3 189 B10R0.23 CCC[C@@H](NC(N)=O)C(=O)O Amb27000197 [2,0,0,0,0,0|1,0,1]=4 190 B10R0.23 CCC[C@H](NC(C)=O)C(=O)O Amb3941421 [2,0,0,0,0,0|0,0,1]=3 191 B10R0.23 CCC[C@H](NC(C)=O)C(N)=O Amb27671257 [2,0,0,0,0,0|1,0,1]=4 192 B10R0.23 CCSC(NC(C)=O)C(=O)O Amb27989933 [2,0,0,0,0,0|1,0,1]=4 193 B10R0.23 CNCC(NC(C)=O)C(=O)O Amb27269521 [2,0,0,0,0,0|1,0,1]=4 194 B10R0.23 CNC[C@H](NC(C)=O)C(=O)O Amb25383164 [2,0,0,0,0,0|1,0,1]=4 195 B10R0.23 COCC(NC(C)=O)C(=O)O Amb8385373 [2,0,0,0,0,0|1,0,1]=4 196 B10R0.23 COC[C@@H](NC(C)=O)C(=O)O Amb27990008 [2,0,0,0,0,0|1,0,1]=4 197 B10R0.23 COC[C@H](NC(C)=O)C(=O)O Amb26999845 [2,0,0,0,0,0|1,0,1]=4 198 B10R0.23 CSCC(NC(C)=O)C(=O)O Amb4013561 [2,0,0,0,0,0|1,0,1]=4 199 B10R0.23 CSC[C@H](NC(C)=O)C(=O)O Amb17607605 [2,0,0,0,0,0|1,0,1]=4 200 B10R0.23 NC(=O)NC(CCS)C(=O)O Amb27271753 [2,0,0,0,0,0|1,1,0]=4 201 B10R0.23 NC(=O)N[C@@H](CCO)C(=O)O Amb26993170 [2,0,0,0,0,0|1,0,0]=3 202 B10R0.23 NCCC(NC(=O)O)C(=O)O Amb24091186 [2,0,0,0,0,0|2,0,0]=4 203 B12R0.550 CC(C)(O)CCC(NC=O)C(=O)O Amb33036793 [1,1,0,0,0,0|1,0,1]=4 204 B12R0.550 CS(=O)(=O)CCC(NC=O)C(=O)O Amb33042717 [1,1,0,0,0,0|1,0,1]=4 205 B12R0.73 C=CCC(C)C(NC(C)=O)C(=O)O Amb33308568 [1,1,0,0,0,0|1,0,0]=3 206 B12R0.73 CC(=O)NC(C(=O)O)C(C)CC#N Amb33308843 [1,1,0,0,0,0|1,0,1]=4 207 B12R0.73 CCCC(C)C(NC(C)=O)C(=O)O Amb33036589 [1,1,0,0,0,0|1,0,1]=4 208 B12R0.73 COCC(C)C(NC(C)=O)C(=O)O Amb33066211 [1,1,0,0,0,0|2,0,0]=4 209 B12R0.120 C#CCCCC(NC(C)=O)C(=O)O Amb33042800 [1,1,0,0,0,0|1,0,1]=4 210 B12R0.120 C=CCCCC(NC(C)=O)C(=O)O Amb33042797 [1,1,0,0,0,0|1,0,0]=3 211 B12R0.120 C=CCOCC(NC(C)=O)C(=O)O Amb33309043 [1,1,0,0,0,0|1,0,0]=3 212 B12R0.120 CC#CCCC(NC(C)=O)C(=O)O Amb33036977 [1,1,0,0,0,0|1,0,1]=4 213 B12R0.120 CC(=O)NC(CC#CCO)C(=O)O Amb27776849 [1,1,0,0,0,0|0,0,2]=4 214 B12R0.120 CC(=O)NC(CCCC#N)C(=O)O Amb33127590 [1,1,0,0,0,0|1,0,1]=4 215 B12R0.120 CC(=O)NC(CCCCF)C(=O)O Amb33065408 [1,1,0,0,0,0|1,0,1]=4 216 B12R0.120 CC(=O)NC(CCCCO)C(=O)O Amb33036927 [1,1,0,0,0,0|0,0,1]=3 217 B12R0.120 CC(=O)N[C@@H](CCCCN)C(=O)O Amb8514726 [1,1,0,0,0,0|1,0,1]=4 218 B12R0.120 CCCCCC(NC(C)=O)C(=O)O Amb33309213 [1,1,0,0,0,0|1,0,1]=4 219 B12R0.120 CCCOCC(NC(C)=O)C(=O)O Amb33037093 [1,1,0,0,0,0|1,0,1]=4 220 B12R0.120 CCOCCC(NC(C)=O)C(=O)O Amb33042809 [1,1,0,0,0,0|1,0,1]=4 221 B12R0.120 CCSCCC(NC(C)=O)C(=O)O Amb4001722 [1,1,0,0,0,0|1,0,1]=4 222 B12R0.120 COCCCC(NC(C)=O)C(=O)O Amb33042719 [1,1,0,0,0,0|0,0,1]=3 223 B12R0.120 CSCCCC(NC(C)=O)C(=O)O Amb33036957 [1,1,0,0,0,0|0,1,1]=4 224 B12R0.129 CCC(=O)NC(CCSC)C(=O)O Amb9704541 [1,1,0,0,0,0|2,0,0]=4 225 B12R0.129 CCCCC(NC(=O)CCl)C(=O)O Amb24093583 [1,1,0,0,0,0|1,0,1]=4 226 B12R0.129 CSCCC(NC(=O)CN)C(=O)O Amb3987864 [1,1,0,0,0,0|2,0,0]=4 227 B12R0.151 CC(=O)NC(CC(C)C#N)C(=O)O Amb33065433 [1,1,0,0,0,0|1,0,1]=4 228 B12R0.151 CC(=O)NC(CC(C)CO)C(=O)O Amb33065530 [1,1,0,0,0,0|0,0,1]=3 229 B12R0.151 CC(=O)NC(CC(O)CF)C(=O)O Amb33065771 [1,1,0,0,0,0|1,0,1]=4 230 B12R0.151 CC(=O)NC(CC(O)CO)C(=O)O Amb33066119 [1,1,0,0,0,0|0,0,1]=3 231 B12R0.151 CC(=O)NC(C\C(C)=C\Cl)C(=O)O Amb33065890 [1,1,0,0,0,0|1,0,1]=4 232 B12R0.151 CCC(C)CC(NC(C)=O)C(=O)O Amb33042722 [1,1,0,0,0,0|1,0,1]=4 233 B12R0.151 CCC(O)CC(NC(C)=O)C(=O)O Amb33065943 [1,1,0,0,0,0|1,0,1]=4 234 B12R0.151 COC(C)CC(NC(C)=O)C(=O)O Amb33037068 [1,1,0,0,0,0|2,0,0]=4 235 B12R0.247 COC(=O)[C@H](CCSC)NC(C)=O Amb15691928 [1,1,0,0,0,0|2,0,0]=4 236 B12R0.146 COC(=O)CCC(C(C)=O)C(C)=O Amb1153582 [0,1,0,0,1,0|1,0,0]=3 237 B12R0.339 N[C@@H](CC(C(=O)O)C(=O)O)C(=O)O Amb4025822 [0,1,0,0,1,0|1,0,0]=3 238 B12R0.43 C=C(C(=O)O)C(CC(=O)O)C(=O)O Amb540579 [0,1,0,0,1,0|2,0,0]=4 239 B12R0.43 CC(=O)NC(C(=O)O)C(C)C(C)O Amb33065849 [0,1,0,0,1,0|1,0,1]=4 240 B12R0.43 O=C(O)CC(C(=O)O)C(O)C(=O)[O-] Amb19960003 [0,1,0,0,1,0|2,0,0]=4 241 B12R0.43 O=C(O)CC(C(=O)O)C(O)C(=O)[O-] Amb22349265 [0,1,0,0,1,0|2,0,0]=4 242 B12R0.180 CNC(=O)C(CC(N)=O)NC(C)=O Amb32789635 [0,1,0,0,1,0|2,0,0]=4 243 B12R0.180 COC(=O)[C@H](CC(=O)O)NC(C)=O Amb22800827 [0,1,0,0,1,0|0,0,0]=2 244 B12R0.180 COC(C)C(CC(=O)O)NC(C)=O Amb32787498 [0,1,0,0,1,0|1,0,1]=4 245 B12R0.393 CC(=O)NC(CC(C)(C)O)C(=O)O Amb33065913 [0,1,0,0,1,0|1,0,1]=4 246 B12R0.393 CS(=O)(=O)NC(CC(=O)O)C(=O)O Amb17466623 [0,1,0,0,1,0|1,0,0]=3 247 B12R0.393 CS(=O)(=O)NC(CC(N)=O)C(=O)O Amb1111608 [0,1,0,0,1,0|2,0,0]=4 248 B12R0.694 CC(=O)NC(C)(NC(C)=O)C(=O)O Amb4005925 [0,1,0,0,1,0|2,0,0]=4 249 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb10070578 [0,1,0,0,1,0|2,0,0]=4 250 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb16232172 [0,1,0,0,1,0|2,0,0]=4 251 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb19958282 [0,1,0,0,1,0|2,0,0]=4 252 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb21947902 [0,1,0,0,1,0|2,0,0]=4 253 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb22000691 [0,1,0,0,1,0|2,0,0]=4 254 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb22167468 [0,1,0,0,1,0|2,0,0]=4 255 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb22264824 [0,1,0,0,1,0|2,0,0]=4 256 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb22264888 [0,1,0,0,1,0|2,0,0]=4 257 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb24079735 [0,1,0,0,1,0|2,0,0]=4 258 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb6335855 [0,1,0,0,1,0|2,0,0]=4 259 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb8513233 [0,1,0,0,1,0|2,0,0]=4 260 B12R0.694 O=C(O)CC(O)(CC(=O)O)C(=O)O Amb9825337 [0,1,0,0,1,0|2,0,0]=4 261 B12R0.694 O=C([O-])CC(O)(CC(=O)O)C(=O)O Amb20246421 [0,1,0,0,1,0|2,0,0]=4 262 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]=4 263 B14R0.252 CNC(=O)CN(CCC(=O)O)CC(=O)O Amb18100728 [0,1,0,0,0,1|2,0,0]=4 264 B14R0.123 CCOC(=O)[C@@H](CSC(C)=O)NC(C)=O Amb22756659 [0,2,0,0,0,0|2,0,0]=4 265 B14R0.414 CCOC(=O)CCC(NC(C)=O)C(=O)O Amb32425139 [0,2,0,0,0,0|0,0,0]=2 266 B12R1.11 CCC1CC(C(=O)O)CC(=O)N1 Amb28401239 [1,0,0,1,0,0|1,0,1]=4 267 B12R1.11 O=C1N[C@H](CO)C[C@H](C(=O)O)N1 Amb27232232 [1,0,0,1,0,0|1,0,1]=4 268 B12R1.65 CC[C@@H]1NC(=O)C[C@H]1CC(=O)O Amb18198651 [1,0,0,1,0,0|1,0,1]=4 269 B12R1.65 O=C(O)C[C@H]1CC(=O)N[C@@H]1CO Amb27966825 [1,0,0,1,0,0|0,0,1]=3 270 B12R1.226 O=C(O)CCC1CCCC(=O)N1 Amb18825448 [1,0,0,1,0,0|1,0,1]=4 271 B12R1.233 CC(=N)NC1CCC(=O)NC1=O Amb27861801 [1,0,0,1,0,0|2,0,0]=4 272 B12R1.233 CC(=O)NC1CCC(=O)OC1=O Amb25234120 [1,0,0,1,0,0|0,0,0]=2 273 B12R1.233 CC(=O)NC1CCC(C)OC1=O Amb27616520 [1,0,0,1,0,0|1,0,1]=4 274 B12R1.233 CC(=O)NC1CCC(O)OC1=O Amb27969228 [1,0,0,1,0,0|0,0,2]=4 275 B12R1.233 CC(=O)N[C@H]1CCC(=O)O[C@@H]1C Amb27493428 [1,0,0,1,0,0|1,0,1]=4 276 B12R1.233 CC(=O)N[C@H]1CCC(O)OC1=O Amb28040913 [1,0,0,1,0,0|0,0,2]=4 277 B12R1.389 CC(=O)NC1C=CC(C(=O)O)C1 Amb18647131 [1,0,0,1,0,0|1,0,0]=3 278 B12R1.389 CC(=O)NC1CCC(C(=O)O)C1 Amb27878808 [1,0,0,1,0,0|1,0,1]=4 279 B12R1.389 CC(=O)NC1CSC(C(=O)O)C1 Amb18190166 [1,0,0,1,0,0|0,1,1]=4 280 B12R1.389 CS(=O)NC1C=CC(C(=O)O)C1 Amb27447399 [1,0,0,1,0,0|2,0,0]=4 281 B12R1.861 CC(=O)CCC1NC(=O)NC1=O Amb33503356 [1,0,0,1,0,0|2,0,0]=4 282 B12R1.861 CC1=CC(=O)N(CCC(=O)O)N1 Amb18967764 [1,0,0,1,0,0|2,0,0]=4 283 B12R1.861 CC1=NC(CCC(=O)O)C(=O)O1 Amb24591817 [1,0,0,1,0,0|0,0,2]=4 284 B12R1.861 NC(=O)CCC1NC(=O)NC1=O Amb26371462 [1,0,0,1,0,0|2,0,0]=4 285 B12R1.861 NC(=O)CCC1NC(=O)OC1=O Amb9826940 [1,0,0,1,0,0|2,0,0]=4 286 B12R1.861 NC(=O)CC[C@@H]1NC(=O)OC1=O Amb22226708 [1,0,0,1,0,0|2,0,0]=4 287 B12R1.861 O=C(O)CCC1CC(=O)OC1=O Amb28291418 [1,0,0,1,0,0|2,0,0]=4 288 B12R1.861 O=C(O)CCC1NC(=O)NC1=O Amb1063501 [1,0,0,1,0,0|1,0,0]=3 289 B12R1.861 O=C(O)CCC1NC(=O)OC1=O Amb25700913 [1,0,0,1,0,0|1,0,0]=3 290 B12R1.861 O=C(O)CCC1NC(=S)NC1=O Amb836887 [1,0,0,1,0,0|1,1,0]=4 291 B12R1.861 O=C(O)CCC1NC(=S)SC1=O Amb28255678 [1,0,0,1,0,0|1,1,0]=4 292 B12R1.861 O=C(O)CC[C@@H]1NC(=O)NC1=O Amb19517081 [1,0,0,1,0,0|1,0,0]=3 293 B12R1.861 O=C(O)CC[C@@H]1NC(=O)OC1=O Amb25774949 [1,0,0,1,0,0|1,0,0]=3 294 B12R1.57 CCN1CC(=O)CCC1C(=O)O Amb26539907 [1,0,0,1,0,0|1,0,1]=4 295 B12R1.111 CC1NC(C(=O)O)CC1C(=O)O Amb2695728 [1,0,0,1,0,0|0,0,1]=3 296 B12R1.111 O=C(O)C1CC(C(=O)O)C(=O)N1 Amb27828140 [1,0,0,1,0,0|0,0,0]=2 297 B12R1.258 NC(=O)C1CC(C(=O)O)CCN1 Amb20669376 [1,0,0,1,0,0|1,0,1]=4 298 B12R1.258 NC(=O)C1CC(C(=O)O)CCN1 Amb26872288 [1,0,0,1,0,0|1,0,1]=4 299 B12R1.258 NC(=O)[C@@H]1C[C@H](C(=O)O)CCN1 Amb33482646 [1,0,0,1,0,0|1,0,1]=4 300 B12R1.258 NC(=O)[C@@H]1C[C@H](C(=O)O)CCN1 Amb33482647 [1,0,0,1,0,0|1,0,1]=4 301 B12R1.258 O=C(O)C1C=CCC(C(=O)O)C1 Amb25108620 [1,0,0,1,0,0|1,0,0]=3 302 B12R1.258 O=C(O)C1CCCC(C(=O)O)C1 Amb6456609 [1,0,0,1,0,0|1,0,1]=4 303 B12R1.258 O=C(O)C1CNCC(C(=O)O)C1 Amb13885741 [1,0,0,1,0,0|2,0,0]=4 304 B12R1.258 O=C(O)[C@@H]1CCC[C@@H](C(=O)O)C1 Amb24725578 [1,0,0,1,0,0|1,0,1]=4 305 B12R1.258 O=C(O)[C@@H]1C[C@H](C(=O)O)CCN1 Amb13885721 [1,0,0,1,0,0|0,0,1]=3 306 B12R1.258 O=C(O)[C@H]1CCC[C@@H](C(=O)O)C1 Amb6357922 [1,0,0,1,0,0|1,0,1]=4 307 B12R1.258 O=C(O)[C@H]1CCC[C@H](C(=O)O)C1 Amb22899260 [1,0,0,1,0,0|1,0,1]=4 308 B12R1.258 O=C(O)[C@H]1CCN[C@@H](C(=O)O)C1 Amb24672560 [1,0,0,1,0,0|0,0,1]=3 309 B12R1.258 O=C(O)[C@H]1CCN[C@H](C(=O)O)C1 Amb27204652 [1,0,0,1,0,0|0,0,1]=3 310 B12R1.392 O=C(O)CC1CCCC1C(=O)O Amb26371587 [1,0,0,1,0,0|1,0,1]=4 311 B12R1.392 O=C(O)C[C@@H]1CNN[C@H]1C(=O)O Amb27858487 [1,0,0,1,0,0|1,0,0]=3 312 B12R1.392 O=C(O)C[C@H]1CCN[C@H]1C(=O)O Amb27659001 [1,0,0,1,0,0|0,0,1]=3 313 B12R1.261 CC(=O)N1CCCCC1C(=O)O Amb9703955 [1,0,0,1,0,0|1,0,1]=4 314 B12R1.261 CC(=O)N1CCCC[C@@H]1C(=O)O Amb25715695 [1,0,0,1,0,0|1,0,1]=4 315 B12R1.276 CCC[C@@H]1CC(=O)N[C@H]1C(=O)O Amb28384100 [1,0,0,1,0,0|1,0,1]=4 316 B12R1.498 CC(=O)C1CCC(=O)N1C(C)=O Amb25034653 [1,0,0,1,0,0|1,0,0]=3 317 B12R1.498 CC(=O)N1C(=N)SCC1C(=O)O Amb28385430 [1,0,0,1,0,0|2,0,0]=4 318 B12R1.498 CC(=O)N1C(=N)SC[C@H]1C(=O)O Amb28119931 [1,0,0,1,0,0|2,0,0]=4 319 B12R1.498 CC(=O)N1C(=O)CCC1C(=O)O Amb17334836 [1,0,0,1,0,0|0,0,0]=2 320 B12R1.498 CC(=O)N1C(=O)CC[C@H]1C(=O)Cl Amb26477860 [1,0,0,1,0,0|1,0,0]=3 321 B12R1.498 CC(=O)N1C(=O)SC[C@H]1C(=O)O Amb27984735 [1,0,0,1,0,0|1,0,0]=3 322 B12R1.498 CC(=O)N1C(C)CCC1C(=O)O Amb26359930 [1,0,0,1,0,0|1,0,1]=4 323 B12R1.498 CC(=O)N1C(N)=NCC1C(=O)O Amb25941414 [1,0,0,1,0,0|2,0,0]=4 324 B12R1.498 CC(C)N1C(=O)CCC1C(=O)O Amb3484434 [1,0,0,1,0,0|1,0,1]=4 325 B12R1.498 CC(C)N1C(=O)CC[C@@H]1C(=O)O Amb32675013 [1,0,0,1,0,0|1,0,1]=4 326 B12R1.498 CC(C)N1C(=O)CC[C@H]1C(=O)O Amb25294494 [1,0,0,1,0,0|1,0,1]=4 327 B12R1.871 CC(=O)NC1(C(=O)O)CCC1C Amb28342381 [1,0,0,1,0,0|1,0,1]=4 328 B12R1.871 CC(=O)N[C@]1(C(=O)O)CC[C@H]1C Amb27444184 [1,0,0,1,0,0|1,0,1]=4 329 B12R1.1011 O=C1CCSCCC(C(=O)O)N1 Amb27166504 [1,0,0,1,0,0|2,0,0]=4 330 B12R1.1011 O=C1CCSCC[C@H](C(=O)O)N1 Amb28198021 [1,0,0,1,0,0|2,0,0]=4 331 B12R1.1813 CC(=O)NC(C(=O)O)C1CCC1 Amb27392290 [1,0,0,1,0,0|1,0,1]=4 332 B12R1.1813 CC(=O)NC(C(=O)O)C1COC1 Amb33065546 [1,0,0,1,0,0|2,0,0]=4 333 B12R1.1813 CC(=O)N[C@@H](C(=O)O)C1CCC1 Amb22641895 [1,0,0,1,0,0|1,0,1]=4 334 B12R1.1813 CC(=O)N[C@H](C(=O)O)C1CCC1 Amb33715655 [1,0,0,1,0,0|1,0,1]=4 335 B12R1.3171 CC(=O)NC1(C(=O)O)CCCC1 Amb9212906 [1,0,0,1,0,0|1,0,1]=4 336 B12R1.3171 CC(=O)NC1(C(=O)O)CCNC1 Amb30010174 [1,0,0,1,0,0|2,0,0]=4 337 B12R1.3171 CC(=O)NC1(C(=O)O)CCSC1 Amb18956249 [1,0,0,1,0,0|2,0,0]=4 338 B12R1.3579 CC(=O)NC(CC1CC1)C(=O)O Amb22489683 [1,0,0,1,0,0|1,0,1]=4 339 B12R1.3579 CC(=O)N[C@H](CC1CC1)C(=O)O Amb8631227 [1,0,0,1,0,0|1,0,1]=4 340 B12R1.895 CC(=O)CCC1C(=O)CCC1=O Amb19134320 [0,0,0,1,1,0|2,0,0]=4 341 B12R1.895 CC1=NNC(=O)C1CCC(=O)O Amb1161438 [0,0,0,1,1,0|2,0,0]=4 342 B12R1.895 CC1=NOC(=O)C1CCC(=O)O Amb6892606 [0,0,0,1,1,0|1,0,0]=3 343 B12R1.895 O=C(O)CCC1C(=O)COC1=O Amb28043447 [0,0,0,1,1,0|0,0,0]=2 344 B12R1.895 O=C(O)CCC1C(=O)NNC1=O Amb26357691 [0,0,0,1,1,0|2,0,0]=4 345 B12R1.895 O=C(O)CCN1C(=O)CCC1=O Amb1151949 [0,0,0,1,1,0|2,0,0]=4 346 B12R1.895 O=C(O)CCN1C(=O)CSC1=O Amb1128218 [0,0,0,1,1,0|1,1,0]=4 347 B12R1.1280 CC1(C)OC(=O)CCC1C(=O)O Amb27865443 [0,0,0,1,1,0|1,0,1]=4 348 B12R1.1337 CC1(C)C(C(=O)O)CC1C(=O)O Amb4010856 [0,0,0,1,1,0|1,0,1]=4 349 B12R1.1337 CC1(C)[C@@H](C(=O)O)C[C@@H]1C(=O)O Amb34913095 [0,0,0,1,1,0|1,0,1]=4 350 B12R1.1337 CC1(C)[C@@H](C(=O)O)C[C@H]1C(=O)O Amb26849740 [0,0,0,1,1,0|1,0,1]=4 351 B12R1.1337 CC1(C)[C@H](C(=O)O)C[C@H]1C(=O)O Amb26532169 [0,0,0,1,1,0|1,0,1]=4 352 B12R1.1380 CC(C)[C@]1(C(=O)O)C[C@H]1C(=O)O Amb26527888 [0,0,0,1,1,0|1,0,1]=4 353 B12R1.1380 O=C(O)C1CC1(C(=O)O)C(=O)O Amb1199910 [0,0,0,1,1,0|1,0,0]=3 354 B12R1.1822 CC1(C)[C@@H](C(=O)O)[C@H]1CC(=O)O Amb27431793 [0,0,0,1,1,0|1,0,1]=4 355 B12R1.1822 CC1(C)[C@@H](CC(=O)O)[C@@H]1C(=O)O Amb28051885 [0,0,0,1,1,0|1,0,1]=4 356 B12R1.3802 CC(=O)C1(C(C)=O)CCC(=O)O1 Amb27802599 [0,0,0,1,1,0|1,0,0]=3 357 B12R1.3802 O=C1CCC(C(=O)O)(C(=O)O)N1 Amb27984782 [0,0,0,1,1,0|2,0,0]=4 358 B12R1.127 NC(=O)C[C@@H]1NC(=O)CNC1=O Amb25151043 [0,0,0,1,1,0|2,0,0]=4 359 B12R1.127 O=C(O)CC1NC(=O)CNC1=O Amb26371424 [0,0,0,1,1,0|1,0,0]=3 360 B12R1.127 O=C(O)CN1NC(=O)CCC1=O Amb23554954 [0,0,0,1,1,0|2,0,0]=4 361 B12R1.844 C[Si]1(C)N[C@@H](CC(=O)O)C(=O)O1 Amb28396575 [0,0,0,1,1,0|1,1,0]=4 362 B12R1.850 C=C1CC(C(=O)O)C(C(=O)O)C1 Amb8395539 [0,0,0,1,1,0|2,0,0]=4 363 B12R1.850 C=C1C[C@@H](C(=O)O)[C@H](C(=O)O)C1 Amb27776829 [0,0,0,1,1,0|2,0,0]=4 364 B12R1.850 CC(=O)N1CC(=O)CC1C(=O)O Amb17334835 [0,0,0,1,1,0|1,0,0]=3 365 B12R1.850 CC(=O)N1CC(=O)C[C@H]1C(=O)O Amb28047648 [0,0,0,1,1,0|1,0,0]=3 366 B12R1.850 CC(=O)N1CC(O)CC1C(=O)O Amb1117705 [0,0,0,1,1,0|1,0,1]=4 367 B12R1.850 CC(=O)N1CC(O)C[C@@H]1C(=O)O Amb18794751 [0,0,0,1,1,0|1,0,1]=4 368 B12R1.850 CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)O Amb22746162 [0,0,0,1,1,0|1,0,1]=4 369 B12R1.850 CC(=O)N1C[C@@H](O)C[C@H]1C(=O)O Amb27452611 [0,0,0,1,1,0|1,0,1]=4 370 B12R1.850 CC(=O)N1C[C@H](O)C[C@@H]1C(=O)O Amb26601238 [0,0,0,1,1,0|1,0,1]=4 371 B12R1.850 CC(=O)N1C[C@H](O)C[C@H]1C(=O)O Amb8629077 [0,0,0,1,1,0|1,0,1]=4 372 B12R1.850 CC(=O)N1NC(=O)CC1C(=O)O Amb18647579 [0,0,0,1,1,0|1,0,0]=3 373 B12R1.850 C[C@@H]1C[C@H](C(=O)O)[C@@H](C(=O)O)N1 Amb28256740 [0,0,0,1,1,0|1,0,1]=4 374 B12R1.850 C[C@H]1C[C@@H](C(=O)O)[C@@H](C(=O)O)N1 Amb27437188 [0,0,0,1,1,0|1,0,1]=4 375 B12R1.850 O=C(O)[C@@H]1CS(=O)C[C@H]1C(=O)O Amb27789840 [0,0,0,1,1,0|2,0,0]=4 376 B12R1.850 O=C1CC(C(=O)O)C(C(=O)O)C1 Amb8395543 [0,0,0,1,1,0|1,0,0]=3 377 B12R1.850 O=C1CC(C(=O)O)C(C(=O)O)O1 Amb17678843 [0,0,0,1,1,0|1,0,0]=3 378 B12R1.850 O=C1CC(C(=O)O)[C@H](C(=O)O)C1 Amb27793186 [0,0,0,1,1,0|1,0,0]=3 379 B12R1.850 O=C1CC(C(=O)O)[C@H](C(=O)O)N1 Amb28343140 [0,0,0,1,1,0|0,0,0]=2 380 B12R1.850 O=C1C[C@@H](C(=O)O)[C@H](C(=O)O)C1 Amb25168932 [0,0,0,1,1,0|1,0,0]=3 381 B12R1.850 O=C1NC(C(=O)O)C(C(=O)O)O1 Amb28076956 [0,0,0,1,1,0|1,0,0]=3 382 B12R1.850 O=C1N[C@@H](C(=O)O)[C@H](C(=O)O)O1 Amb27478042 [0,0,0,1,1,0|1,0,0]=3 383 B12R1.1383 O=C(O)C1[C@H](C(=O)O)[C@@H]1C(=O)O Amb4153174 [0,0,0,1,1,0|2,0,0]=4 384 B12R1.3005 O=C1CP(=O)(O)CC(C(=O)O)N1 Amb27791742 [0,0,0,1,1,0|1,0,0]=3 385 B12R1.3005 O=C1CS(=O)(=O)CC(C(=O)O)N1 Amb33072443 [0,0,0,1,1,0|1,0,1]=4 386 B12R1.3005 O=C1CS(=O)(=O)C[C@@H](C(=O)O)N1 Amb32992582 [0,0,0,1,1,0|1,0,1]=4 387 B12R1.3005 O=C1C[P@@](=O)(S)C[C@@H](C(=O)O)N1 Amb28064029 [0,0,0,1,1,0|1,1,0]=4 388 B14R1.164 C[C@H]1CN[C@H](C(=O)O)[C@@H](CC(=O)O)C1 Amb27841190 [0,0,0,1,0,1|1,0,1]=4 389 B14R1.164 NC(=O)CN1CC(=O)NCC1C(=O)O Amb27856580 [0,0,0,1,0,1|2,0,0]=4 390 B14R1.5802 CC(=O)NCC1CC(C(=O)O)CC1O Amb27469064 [0,0,0,1,0,1|1,0,1]=4 391 B14R1.5802 CC(=O)NC[C@H]1CC(C(=O)O)C[C@H]1O Amb27628023 [0,0,0,1,0,1|1,0,1]=4 392 B14R1.6375 O=C(O)C1CC(C(=O)O)C(C(=O)O)C1 Amb18653740 [0,0,0,1,0,1|2,0,0]=4 393 B14R1.4256 NC(=O)CC1NC(=O)CC(C(=O)O)N1 Amb28207454 [0,0,0,1,0,1|2,0,0]=4 394 B14R1.4256 O=C(O)CC1CC(=O)NC(C(=O)O)C1 Amb27832553 [0,0,0,1,0,1|2,0,0]=4 395 B14R1.124 CC(=O)N[C@H]1CN[C@@H](C(=O)O)C[C@@H]1O Amb26569067 [0,0,0,1,0,1|1,0,1]=4 396 B14R1.124 CC(=O)N[C@H]1CN[C@H](C(=O)O)C[C@@H]1O Amb26610156 [0,0,0,1,0,1|1,0,1]=4 397 B14R1.1502 NC(=O)N[C@]1(C(=O)O)CC[C@@H]1C(=O)O Amb28052629 [0,0,0,1,0,1|1,0,0]=3 398 B14R1.4274 CC(=O)NC(C(=O)O)C1CCC(C)O1 Amb27954941 [0,0,0,1,0,1|1,0,1]=4 399 B14R1.6401 O=C(O)C1[C@H](C(=O)O)CC[C@H]1C(=O)O Amb28061627 [0,0,0,1,0,1|2,0,0]=4 400 B14R1.6401 O=C(O)[C@H]1CC[C@@H](C(=O)O)[C@H]1C(=O)O Amb28241423 [0,0,0,1,0,1|2,0,0]=4 401 B14R1.3145 CN1C(C(=O)O)CC(=O)CC1C(=O)O Amb18187252 [0,1,0,1,0,0|2,0,0]=4 402 B14R1.13141 O=C(O)C[C@]1(C(=O)O)OC(=O)C[C@H]1O Amb27626847 [0,1,0,1,0,0|2,0,0]=4 403 B14R1.13264 CC(=O)N[C@@H]1C(=O)OC[C@H]1OC(C)=O Amb27780167 [0,1,0,1,0,0|2,0,0]=4 404 B14R1.4387 O=C(O)CC1OC(=O)C(O)C1C(=O)O Amb28199999 [0,1,0,1,0,0|2,0,0]=4 405 B14R1.22953 CC(C(=O)O)C1(C(=O)O)CCC(=O)O1 Amb27649336 [0,1,0,1,0,0|2,0,0]=4 406 B14R1.712 COC(=O)C1CC(=O)CC(C(=O)O)N1 Amb18187253 [0,1,0,1,0,0|2,0,0]=4 407 B14R1.712 COC(=O)C1CC(=O)NN(C(N)=O)C1 Amb2437242 [0,1,0,1,0,0|2,0,0]=4 408 B14R1.712 COC(=O)C1CC(C(=O)S)CC(=O)N1 Amb27850577 [0,1,0,1,0,0|0,1,0]=3 409 B14R1.1122 COC(=O)C1CCS(=O)(=O)CC(=O)N1 Amb33483659 [0,1,0,1,0,0|1,0,1]=4 410 B14R1.3150 CN1CC(=O)NC(CCC(=O)O)C1=O Amb25682402 [0,1,0,1,0,0|1,0,0]=3 411 B14R1.707 CCC(=O)N1CC(=O)NCC1C(=O)O Amb27597742 [0,1,0,1,0,0|2,0,0]=4 412 B14R1.4353 C[C@H]1C(=O)O[C@H](C(=O)O)[C@@H]1CC(=O)O Amb28436719 [0,1,0,1,0,0|1,0,0]=3 413 B14R1.5849 CC1CC(C(=O)O)CCC(=O)OC1=O Amb27592936 [0,1,0,1,0,0|1,0,1]=4 414 B14R1.6036 C[C@@H]1NC(=O)[C@H](CCC(=O)O)NC1=O Amb22747873 [0,1,0,1,0,0|1,0,0]=3 415 B14R1.681 CC(=O)NC1(C(=O)O)CCC(C)OC1 Amb35694661 [0,1,0,1,0,0|1,0,1]=4 416 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]=4 417 B14R1.7748 CC(=O)NC1CC(C(O)CO)OC1=O Amb27464433 [0,1,0,1,0,0|0,0,2]=4 418 B14R1.7748 COC(=O)C1CC(NC(C)=O)C(=O)N1 Amb28248106 [0,1,0,1,0,0|1,0,0]=3 419 B14R1.7748 COC(=O)[C@@H]1C[C@H](NC(C)=O)C(=O)N1 Amb27482047 [0,1,0,1,0,0|1,0,0]=3 420 B14R1.4308 CC1CC(CC(=O)O)(C(=O)O)OC1=O Amb27958321 [0,1,0,1,0,0|2,0,0]=4 421 B14R1.16679 N[C@H](C(=O)O)C1[C@@H](C(=O)O)[C@@H]1C(=O)O Amb33714388 [0,1,0,1,0,0|2,0,0]=4 422 B14R1.20948 CC(=O)NC1(C(=O)O)CCS(=O)(=O)C1 Amb27245495 [0,1,0,1,0,0|1,0,1]=4 423 B14R2.31392 O=C(O)C1CC2CC1C(C(=O)O)N2 Amb28240427 [0,0,0,2,0,0|1,0,1]=4 424 B14R2.31392 O=C(O)[C@H]1CC2CC1[C@@H](C(=O)O)N2 Amb28131388 [0,0,0,2,0,0|1,0,1]=4 425 B14R2.22291 O=C1C[C@@H]2[C@@H](C(=O)O)CC(=O)[C@@H]2C1 Amb27788391 [0,0,0,2,0,0|2,0,0]=4 426 B14R2.8416 O=C1CN2C(=O)CCC2(C(=O)Cl)N1 Amb28074053 [0,0,0,2,0,0|2,0,0]=4 427 B14R2.30944 O=C(O)CC1C(C(=O)O)NC2CC21 Amb27455060 [0,0,0,2,0,0|1,0,1]=4 428 B10R0.70 CCC(CC(=O)O)NC(C)=O Amb25384609 [1,0,0,0,1,0|1,0,1]=4 429 B10R0.70 CC[C@H](CC(=O)O)NC(C)=O Amb27272274 [1,0,0,0,1,0|1,0,1]=4 430 B10R0.162 C=C(C)C(CC(=O)O)C(=O)O Amb18644989 [0,0,0,0,2,0|1,0,0]=3 431 B10R0.162 CC(=O)\C(CC(=O)O)=C(/C)O Amb28351515 [0,0,0,0,2,0|1,0,1]=4 432 B10R0.162 CC(C)C(CC(=O)O)C(=O)O Amb18645268 [0,0,0,0,2,0|1,0,1]=4 433 B10R0.162 O=C(O)CC(C(=O)O)C(=O)O Amb4035259 [0,0,0,0,2,0|1,0,0]=3 434 B10R0.162 O=C(O)CC(C(=O)O)[N+](=O)[O-] Amb26083808 [0,0,0,0,2,0|2,0,0]=4 435 B10R0.162 O=C(O)CC(C(=O)O)[SH](=O)=O Amb27990267 [0,0,0,0,2,0|2,0,0]=4 436 B10R0.162 O=C(O)C[C@@H](C(=O)O)[N+](=O)[O-] Amb24762931 [0,0,0,0,2,0|2,0,0]=4 437 B12R0.397 CC(=O)CCCC(NC=O)C(=O)O Amb33036582 [1,0,0,0,0,1|1,0,0]=3 438 B12R0.397 CC(C)=CCCC(NC=O)C(=O)O Amb33034705 [1,0,0,0,0,1|2,0,0]=4 439 B12R0.397 CC(O)CCCC(NC=O)C(=O)O Amb33309121 [1,0,0,0,0,1|1,0,1]=4 440 B12R0.242 CCCCC(CC(=O)O)NC(C)=O Amb32787921 [1,0,0,0,0,1|1,0,1]=4 441 B12R0.242 CSCCC(CC(=O)O)NC(C)=O Amb32787988 [1,0,0,0,0,1|2,0,0]=4 442 B12R0.136 CC(=O)N(CCCC(=O)O)C(C)=O Amb17234376 [0,0,0,0,1,1|2,0,0]=4 443 B12R0.41 O=C(O)CC(CC(=O)O)CC(=O)O Amb22486810 [0,0,0,0,1,1|2,0,0]=4 444 B14R0.225 CC(=O)NCCN(CCC(=O)O)C(C)=O Amb18096457 [0,0,0,0,0,2|2,0,0]=4 445 B14R0.2681 CC(=O)NC(CCCNC(=N)N)C(=O)O Amb2714810 [0,0,0,0,0,2|2,0,0]=4 446 B14R0.2681 CC(=O)NC(CSCCC(=O)O)C(=O)O Amb32662696 [0,0,0,0,0,2|0,0,0]=2 447 B14R0.2681 CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O Amb2732380 [0,0,0,0,0,2|2,0,0]=4 448 B14R0.2681 CC(=O)N[C@@H](CCCNC(N)=O)C(=O)O Amb16232063 [0,0,0,0,0,2|1,0,0]=3