0 B9R0.7 CC(=O)OC[C@H](N)C(=O)O T4722 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.7 CC(=O)OC[C@H](N)C(=O)O T8095 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.7 CC(CCC(=O)O)C(=O)O T5063 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.7 CC(CCC(=O)O)C(=O)O T5260 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.7 CS(=O)CCC(N)C(=O)O T19418 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O T19264 [0,0,0,0,0,0|2,0,0]=2 6 B9R0.7 CS(=O)CC[C@H](N)C(=O)O T19397 [0,0,0,0,0,0|2,0,0]=2 7 B9R0.7 C[S+](C)CCC(N)C(=O)O T7908 [0,0,0,0,0,0|3,0,0]=3 8 B9R0.7 NC(=O)CCC(N)C(=O)O T0326 [0,0,0,0,0,0|1,0,0]=1 9 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O T6468 [0,0,0,0,0,0|1,0,0]=1 10 B9R0.7 NC(=O)CC[C@H](N)C(=O)O T0326L [0,0,0,0,0,0|1,0,0]=1 11 B9R0.7 NC(=O)NC[C@H](N)C(=O)O T20121 [0,0,0,0,0,0|2,0,0]=2 12 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O T2A2497 [0,0,0,0,0,0|0,0,0]=0 13 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] T6871 [0,0,0,0,0,0|0,0,1]=1 14 B9R0.7 N[C@H](CCC(=O)O)C(=O)O T10935 [0,0,0,0,0,0|0,0,0]=0 15 B9R0.7 O=C(O)CCC(=O)C(=O)O T5980 [0,0,0,0,0,0|1,0,1]=2 16 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] T4920 [0,0,0,0,0,0|1,0,2]=3 17 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] T6820 [0,0,0,0,0,0|1,0,2]=3 18 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] T13748 [0,0,0,0,0,0|1,0,2]=3 19 B8R0.8 CCCCC(O)C(=O)O T5224 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.8 CCCC[C@H](N)C(=O)O T4765 [1,0,0,0,0,0|1,0,1]=3 21 B8R0.8 CSCCC(N)C(=O)O TJO2742 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.8 CSCC[C@H](N)C(=O)O T4844 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.8 C[Se]CCC(N)C(=O)O T1658 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.8 C[Se]CC[C@H](N)C(=O)O T5372 [1,0,0,0,0,0|2,0,0]=3 25 B8R0.8 NCCC[C@@H](N)C(=O)O T0551 [1,0,0,0,0,0|1,0,1]=3 26 B8R0.8 NCCC[C@H](N)C(=O)O T0737 [1,0,0,0,0,0|1,0,1]=3 27 B8R0.8 NCCC[C@H](N)C(=O)O T2O2701 [1,0,0,0,0,0|1,0,1]=3 28 B8R0.9 C=CC(N)CCC(=O)O T0128 [1,0,0,0,0,0|1,0,0]=2 29 B8R0.28 CC(=O)NCCC(=O)O T1373 [1,0,0,0,0,0|2,0,0]=3 30 B8R0.28 N=C(N)NCCC(=O)O T7535 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.28 NC(=O)NCCC(=O)O T4919 [1,0,0,0,0,0|2,0,0]=3 32 B8R0.28 O=C(O)CCCC(=O)O T4794 [1,0,0,0,0,0|0,0,0]=1 33 B10R0.13 C[C@H](CC(=O)O)[C@H](N)C(=O)O T22485 [0,1,0,0,0,0|0,0,0]=1 34 B10R0.82 NCC(O)CCC(N)C(=O)O T4937 [0,1,0,0,0,0|1,0,1]=3 35 B10R0.92 NC(COP(=O)(O)O)C(=O)O T5057 [0,1,0,0,0,0|2,0,0]=3 36 B10R0.92 N[C@@H](CCP(=O)(O)O)C(=O)O T15692 [0,1,0,0,0,0|1,0,0]=2 37 B10R0.92 N[C@@H](COP(=O)(O)O)C(=O)O T1324 [0,1,0,0,0,0|2,0,0]=3 38 B10R0.92 N[C@H](CCP(=O)(O)O)C(=O)O T22704 [0,1,0,0,0,0|1,0,0]=2 39 B10R0.92 N[C@H](CC[P@](=O)([O-])O)C(=O)O T22731 [0,1,0,0,0,0|1,0,0]=2 40 B10R0.92 [C@H](N)(CSS(=O)(=O)O)C(=O)[O-] T23303 [0,1,0,0,0,0|2,0,1]=4 41 B10R0.93 C[C@H](C[C@H](N)C(=O)O)C(=O)O T16963 [0,1,0,0,0,0|0,0,0]=1 42 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 T8091 [0,0,0,1,0,0|2,0,1]=4 43 B8R0.23 C=C(CC(=O)O)C(=O)O T4837 [0,0,0,0,1,0|1,0,1]=3 44 B8R0.23 CC(=O)N[C@@H](C)C(=O)O T4839 [0,0,0,0,1,0|3,0,0]=4 45 B8R0.23 CC(C)C(N)CC(=O)O T5569 [0,0,0,0,1,0|2,0,1]=4 46 B8R0.23 CC(C)CC(N)C(=O)O T4772 [0,0,0,0,1,0|2,0,1]=4 47 B8R0.23 CC(C)C[C@H](N)C(=O)O T3O2749 [0,0,0,0,1,0|2,0,1]=4 48 B8R0.23 CC(CC(=O)O)C(=O)O T5231 [0,0,0,0,1,0|1,0,0]=2 49 B8R0.23 C\C(=C/C(=O)O)C(=O)O T20880 [0,0,0,0,1,0|1,0,2]=4 50 B8R0.23 C\C(=C\C(=O)O)C(=O)O T4525 [0,0,0,0,1,0|1,0,2]=4 51 B8R0.23 NC(=O)C[C@H](N)C(=O)O T2O2774 [0,0,0,0,1,0|1,0,0]=2 52 B8R0.23 NC(=O)C[C@H](N)C(=O)O T8392 [0,0,0,0,1,0|1,0,0]=2 53 B8R0.23 N[C@@H](CC(=O)O)C(=O)O T2O2731 [0,0,0,0,1,0|0,0,0]=1 54 B8R0.23 N[C@@H](CC(=O)[O-])C(=O)[O-] T8267 [0,0,0,0,1,0|0,0,2]=3 55 B8R0.23 N[C@H](CC(=O)O)C(=O)O T4885 [0,0,0,0,1,0|0,0,0]=1 56 B8R0.23 O=C(O)CC(=O)C(=O)O T4862 [0,0,0,0,1,0|1,0,1]=3 57 B8R0.23 O=C(O)CC(O)C(=O)O T2S0850 [0,0,0,0,1,0|1,0,0]=2 58 B8R0.23 O=C(O)C[C@H](O)C(=O)O T4838 [0,0,0,0,1,0|1,0,0]=2 59 B10R0.96 CC(=O)CC(=O)CCC(=O)O T8273 [0,0,0,0,0,1|2,0,1]=4 60 B10R0.96 CC(CCC(=O)O)CC(=O)O T5253 [0,0,0,0,0,1|1,0,0]=2 61 B10R0.98 NC(CCCC(=O)O)C(=O)O T4705 [0,0,0,0,0,1|0,0,0]=1 62 B10R0.98 NC(CSCC(=O)O)C(=O)O T13440 [0,0,0,0,0,1|0,0,0]=1 63 B10R0.98 N[C@@H](CSCC(=O)O)C(=O)O T3612 [0,0,0,0,0,1|0,0,0]=1 64 B10R0.98 O=C(O)CCCC(=O)C(=O)O T4921 [0,0,0,0,0,1|1,0,1]=3 65 B7R0.4 NCCCCC(=O)O T5089 [2,0,0,0,0,0|1,0,1]=4 66 B7R0.5 CCCC(C)C(=O)O T5685 [2,0,0,0,0,0|1,0,1]=4 67 B7R0.5 CCCC(N)C(=O)O T11054 [2,0,0,0,0,0|0,0,1]=3 68 B7R0.5 CCC[C@H](N)C(=O)O T4788 [2,0,0,0,0,0|0,0,1]=3 69 B7R0.5 CNC[C@H](N)C(=O)O T22911 [2,0,0,0,0,0|1,0,1]=4 70 B7R0.5 CSC[C@H](N)C(=O)O T8072 [2,0,0,0,0,0|1,0,1]=4 71 B7R0.5 NC(CCS)C(=O)O T4863 [2,0,0,0,0,0|0,1,0]=3 72 B7R0.5 NCC[C@H](N)C(=O)O T7595 [2,0,0,0,0,0|1,0,0]=3 73 B7R0.5 N[C@@H](CCO)C(=O)O T4757 [2,0,0,0,0,0|0,0,0]=2 74 B7R0.6 CC(=O)CCC(=O)O T5551 [2,0,0,0,0,0|1,0,1]=4 75 B7R0.6 O=C(O)CCC(=O)O T2719 [2,0,0,0,0,0|1,0,1]=4 76 B7R0.6 O=C(O)CC[N+](=O)[O-] T3009 [2,0,0,0,0,0|2,0,0]=4 77 B9R0.42 N[C@@H](CN(O)N=O)C(=O)O T15691 [1,1,0,0,0,0|2,0,0]=4 78 B9R0.47 C=CCSC[C@H](N)C(=O)O T2772 [1,1,0,0,0,0|1,0,0]=3 79 B9R0.47 NCCCCC(N)C(=O)O T19290 [1,1,0,0,0,0|1,0,1]=4 80 B9R0.47 NCCCC[C@H](N)C(=O)O T2A2498 [1,1,0,0,0,0|1,0,1]=4 81 B9R0.47 NCCCC[C@H](N)C(=O)O T8071 [1,1,0,0,0,0|1,0,1]=4 82 B9R0.47 NCCOC[C@H](N)C(=O)O T11795 [1,1,0,0,0,0|1,0,1]=4 83 B9R0.1 COC(=O)CCCC(=O)O T4764 [1,1,0,0,0,0|0,0,0]=2 84 B9R0.53 CC(CC(=O)O)CC(=O)O T4766 [1,1,0,0,0,0|0,0,0]=2 85 B9R0.53 O=C(O)CC(=O)CC(=O)O T5614 [1,1,0,0,0,0|0,0,1]=3 86 B9R0.53 O=C(O)CC(O)CC(=O)O TQ0024 [1,1,0,0,0,0|0,0,0]=2 87 B9R0.39 CN[C@H](CC(=O)O)C(=O)O T6608 [0,1,0,0,1,0|0,0,0]=2 88 B9R0.57 NC(CP(=O)(O)O)C(=O)O T22730 [0,1,0,0,1,0|1,0,0]=3 89 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O T5083 [0,1,0,0,1,0|1,0,0]=3 90 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O T7448 [0,1,0,0,1,0|1,0,1]=4 91 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O T2P2919 [0,1,0,0,1,0|1,0,1]=4 92 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O T22916 [0,1,0,0,1,0|0,0,0]=2 93 B9R0.79 O=C(O)C(O)C(O)C(=O)O T5803 [0,1,0,0,1,0|1,0,0]=3 94 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O T5062 [0,1,0,0,1,0|1,0,0]=3 95 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O T19182 [0,1,0,0,1,0|1,0,0]=3 96 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O T4906 [0,1,0,0,1,0|1,0,0]=3 97 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O T5059 [0,1,0,0,1,0|1,0,0]=3 98 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O TN1595 [0,1,0,0,1,0|1,0,0]=3 99 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O T2552 [0,1,0,0,1,0|1,0,0]=3 100 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O T6805 [0,1,0,0,1,0|1,0,1]=4 101 B11R0.150 N[C@@H](CNC(=O)C(=O)O)C(=O)O TL0001 [0,1,0,0,0,1|0,0,1]=3 102 B11R0.318 NC(CCCP(=O)(O)O)C(=O)O T22733 [0,1,0,0,0,1|1,0,0]=3 103 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O T10930 [0,1,0,0,0,1|1,0,0]=3 104 B11R0.318 N[C@H](CCCP(=O)(O)O)C(=O)O T22909 [0,1,0,0,0,1|1,0,0]=3 105 B11R0.429 CC(N)(COP(=O)(O)O)C(=O)O T12118 [0,2,0,0,0,0|2,0,0]=4 106 B11R0.429 C[C@](N)(CCP(=O)(O)O)C(=O)O T22961 [0,2,0,0,0,0|1,0,0]=3 107 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC T7658 [0,2,0,0,0,0|0,0,0]=2 108 B11R0.290 CP(=O)(O)CCC(N)C(=O)O[NH4] T15391 [0,2,0,0,0,0|1,0,0]=3 109 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O T2800 [0,2,0,0,0,0|1,0,0]=3 110 B11R0.141 [N-]=[N+]=CC(=O)CC[C@H](N)C(=O)O T8373 [0,2,0,0,0,0|1,0,0]=3 111 B11R0.141 [N-]=[N+]=CC(=O)OC[C@H](N)C(=O)O TQ0158 [0,2,0,0,0,0|2,0,0]=4 112 B9R1.6 O=C(O)C1CCCCN1 T4819 [1,0,0,1,0,0|1,0,1]=4 113 B9R1.6 O=C(O)[C@@H]1CCCCN1 T4762 [1,0,0,1,0,0|1,0,1]=4 114 B9R1.6 O=C(O)[C@H]1CCCCN1 T13634 [1,0,0,1,0,0|1,0,1]=4 115 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 T0507 [1,0,0,1,0,0|0,0,0]=2 116 B9R1.35 O=C1CC[C@H](C(=O)O)N1 T4814 [1,0,0,1,0,0|0,0,0]=2 117 B9R1.35 O=C1N[C@H](C(=O)O)CS1 T5365 [1,0,0,1,0,0|1,0,0]=3 118 B11R1.175 O=C(O)[C@@H]1C[C@@H](C(=O)O)CN1 T22918 [0,0,0,1,0,1|1,0,0]=3 119 B11R1.704 N[C@H](C(=O)O)[C@H]1C[C@@H]1C(=O)O T22912 [0,0,0,1,0,1|0,0,0]=2 120 B11R1.704 [C@@H](N)(C(=O)O)[C@H]1C[C@H]1C(=O)O T22913 [0,0,0,1,0,1|0,0,0]=2 121 B11R1.1389 N[C@]1(C(=O)O)C[C@@H](C(=O)O)C1 T3471 [0,1,0,1,0,0|0,0,0]=2 122 B11R1.1389 N[C@]1(C(=O)O)C[C@H](C(=O)O)C1 T3470 [0,1,0,1,0,0|0,0,0]=2 123 B7R0.16 CC(C(=O)O)C(=O)O T4817 [0,0,0,0,2,0|1,0,0]=3 124 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O T2O2777 [0,0,0,0,2,0|1,0,1]=4 125 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O T21248 [0,0,0,0,2,0|1,0,1]=4 126 B7R0.16 C[C@H](O)[C@H](N)C(=O)O T5076 [0,0,0,0,2,0|1,0,1]=4 127 B7R0.16 NC(C(=O)O)C(=O)O T5244 [0,0,0,0,2,0|0,0,0]=2 128 B9R0.55 CC(=O)NCCCC(=O)O T4728 [1,0,0,0,0,1|1,0,0]=3 129 B9R0.55 N=C(N)NCCCC(=O)O T4927 [1,0,0,0,0,1|2,0,0]=4 130 B9R0.55 O=C(O)CCCCC(=O)O T2228 [1,0,0,0,0,1|0,0,0]=2 131 B9R0.55 O=C(O)CCCCC(=O)O T7146 [1,0,0,0,0,1|0,0,0]=2 132 B9R0.55 O=C(O)C\C=C\CC(=O)O T5246 [1,0,0,0,0,1|0,0,1]=3 133 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O T11806 [0,0,0,0,0,2|2,0,0]=4 134 B11R0.29 N=C(N)NCCCC(N)C(=O)O T19288 [0,0,0,0,0,2|2,0,0]=4 135 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O T0670 [0,0,0,0,0,2|2,0,0]=4 136 B11R0.29 N=C(N)NCCC[C@H](N)C(=O)O T3S0364 [0,0,0,0,0,2|2,0,0]=4 137 B11R0.29 N=C(N)NOCC[C@H](N)C(=O)O T5838 [0,0,0,0,0,2|2,0,0]=4 138 B11R0.29 NC(=O)NCCCC(N)C(=O)O T2931 [0,0,0,0,0,2|1,0,0]=3 139 B11R0.29 NC(=O)NCCC[C@H](N)C(=O)O T4813 [0,0,0,0,0,2|1,0,0]=3 140 B11R0.29 N[C@@H](CSCCB(O)O)C(=O)O T6779 [0,0,0,0,0,2|1,0,1]=4