0 B9R0.7 C(=O)([C@@H](N)CCC(=O)N)O T0326L [0,0,0,0,0,0|3,0,0]=3 1 B9R0.7 CC(=O)OC[C@H](N)C(O)=O T4722 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.7 CC(=O)OC[C@H](N)C(O)=O T8095 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.7 CC(CCC(O)=O)C(O)=O T5063 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.7 CC(CCC(O)=O)C(O)=O T5260 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.7 CS(=O)CCC(N)C(O)=O T19418 [0,0,0,0,0,0|1,0,1]=2 6 B9R0.7 CS(=O)CC[C@@H](N)C(O)=O T19265 [0,0,0,0,0,0|1,0,1]=2 7 B9R0.7 CS(=O)CC[C@H](N)C(O)=O T19397 [0,0,0,0,0,0|1,0,1]=2 8 B9R0.7 C[S+](C)CCC(N)C(O)=O T7908 [0,0,0,0,0,0|0,0,0]=0 9 B9R0.7 C[S+](C)CC[C@H](N)C(O)=O T19919 [0,0,0,0,0,0|0,0,0]=0 10 B9R0.7 NC(CCC(N)=O)C(O)=O T0326 [0,0,0,0,0,0|3,0,0]=3 11 B9R0.7 NC(CCC(O)=O)C([O-])=O T20365 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.7 NC(CCC(O)=O)C([O-])=O T30691 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.7 NC(CCC(O)=O)C([O-])=O T35369 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.7 NC(CCC([O-])=O)C([O-])=O T31941 [0,0,0,0,0,0|3,0,1]=4 15 B9R0.7 NC(CC[C@H](N)C(O)=O)=O T34105 [0,0,0,0,0,0|3,0,0]=3 16 B9R0.7 N[C@@H](CCC(N)=O)C(N)=O T25454 [0,0,0,0,0,0|4,0,0]=4 17 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O T24594 [0,0,0,0,0,0|3,0,0]=3 18 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O T2A2497 [0,0,0,0,0,0|3,0,0]=3 19 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O T31266 [0,0,0,0,0,0|3,0,0]=3 20 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O T34937 [0,0,0,0,0,0|3,0,0]=3 21 B9R0.7 N[C@@H](CCC(O)=O)C([O-])=O T6871 [0,0,0,0,0,0|3,0,1]=4 22 B9R0.7 N[C@@H](CC[14C](O)=O)C(O)=O T32734 [0,0,0,0,0,0|3,0,0]=3 23 B9R0.7 N[C@@H](CNC(N)=O)C(O)=O T20121 [0,0,0,0,0,0|4,0,0]=4 24 B9R0.7 N[C@H](CCC(N)=O)C(O)=O T6468 [0,0,0,0,0,0|3,0,0]=3 25 B9R0.7 N[C@H](CCC(O)=O)C(O)=O T10935 [0,0,0,0,0,0|3,0,0]=3 26 B9R0.7 N[C@H](CCS(C)=O)C(O)=O T19264 [0,0,0,0,0,0|1,0,1]=2 27 B9R0.7 O[C@@H](CCC(O)=O)C(O)=O T13749 [0,0,0,0,0,0|4,0,0]=4 28 B8R0.8 C(=O)([C@@H](N)CCCN)O T0737 [1,0,0,0,0,0|2,0,0]=3 29 B8R0.8 CCCCC(C)C(O)=O T8080 [1,0,0,0,0,0|2,0,0]=3 30 B8R0.8 CCCCC(O)C(O)=O T5224 [1,0,0,0,0,0|2,0,0]=3 31 B8R0.8 CCCC[C@H](N)C(O)=O T4765 [1,0,0,0,0,0|1,0,0]=2 32 B8R0.8 COCCC(N)C(O)=O T33328 [1,0,0,0,0,0|0,1,0]=2 33 B8R0.8 CSCCC(N)C(O)=O TJO2742 [1,0,0,0,0,0|0,0,1]=2 34 B8R0.8 CSCCC(O)C(O)=O T20705 [1,0,0,0,0,0|1,0,1]=3 35 B8R0.8 CSCCC(O)C([O-])=O T5082 [1,0,0,0,0,0|1,0,2]=4 36 B8R0.8 CSCC[C@H](N)C(O)=O T32390 [1,0,0,0,0,0|0,0,1]=2 37 B8R0.8 CSCC[C@H](N)C(O)=O T4844 [1,0,0,0,0,0|0,0,1]=2 38 B8R0.8 C[75Se]CC[C@H](N)C(O)=O T34608 [1,0,0,0,0,0|0,1,0]=2 39 B8R0.8 C[Se]CCC(N)C(O)=O T1658 [1,0,0,0,0,0|0,1,0]=2 40 B8R0.8 C[Se]CC[C@H](N)C(O)=O T5372 [1,0,0,0,0,0|0,1,0]=2 41 B8R0.8 NCCC[C@@H](N)C(O)=O T0551 [1,0,0,0,0,0|2,0,0]=3 42 B8R0.8 NCCC[C@H](N)C(O)=O T2O2701 [1,0,0,0,0,0|2,0,0]=3 43 B8R0.8 NOCC[C@H](N)C(O)=O T11802 [1,0,0,0,0,0|1,1,0]=3 44 B8R0.8 N[C@@H](CCC#C)C(O)=O T15694 [1,0,0,0,0,0|1,0,1]=3 45 B8R0.28 CC(=O)CC/C=C(/C)C TN6832 [1,0,0,0,0,0|2,0,1]=4 46 B8R0.28 CC(=O)NCCC(O)=O T1373 [1,0,0,0,0,0|3,0,0]=4 47 B8R0.28 OC(=O)CCCC(O)=O T4794 [1,0,0,0,0,0|3,0,0]=4 48 B10R0.13 C[C@H](CC(O)=O)[C@H](N)C(O)=O T22485 [0,1,0,0,0,0|3,0,0]=4 49 B10R0.13 N[C@@H]([C@@H](F)CC(O)=O)C(O)=O 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[0,0,0,0,1,0|2,0,1]=4 65 B8R0.23 CC(C)CC(N)C(O)=O T4772 [0,0,0,0,1,0|1,0,0]=2 66 B8R0.23 CC(C)C[C@@H](O)C(O)=O T19539 [0,0,0,0,1,0|2,0,0]=3 67 B8R0.23 CC(C)C[C@H](C(O)=O)N T9299 [0,0,0,0,1,0|1,0,0]=2 68 B8R0.23 CC(C)C[C@H](N)C(O)=O T3O2749 [0,0,0,0,1,0|1,0,0]=2 69 B8R0.23 CC(C)C[C@H](N)[13C](O)=O T32811 [0,0,0,0,1,0|1,0,0]=2 70 B8R0.23 CC(C)C[C@H](O)C(O)=O T5294 [0,0,0,0,1,0|2,0,0]=3 71 B8R0.23 CN(C)CC(N)C(O)=O T25128 [0,0,0,0,1,0|1,0,0]=2 72 B8R0.23 CS(=O)C[C@@H](N)C(O)=O T19759 [0,0,0,0,1,0|1,0,1]=3 73 B8R0.23 NC(CC(N)=O)C(O)=O TN3877 [0,0,0,0,1,0|3,0,0]=4 74 B8R0.23 N[C@@H](CC(Cl)Cl)C(O)=O T30135 [0,0,0,0,1,0|3,0,0]=4 75 B8R0.23 N[C@@H](CC(N)=O)C(O)=O T2O2774 [0,0,0,0,1,0|3,0,0]=4 76 B8R0.23 N[C@@H](CC(N)=O)C(O)=O T8392 [0,0,0,0,1,0|3,0,0]=4 77 B8R0.23 N[C@@H](CC(O)=O)C(O)=O T19399 [0,0,0,0,1,0|3,0,0]=4 78 B8R0.23 N[C@@H](CC(O)=O)C(O)=O T2O2731 [0,0,0,0,1,0|3,0,0]=4 79 B8R0.23 N[C@@H](CS(O)=O)C(O)=O T11803 [0,0,0,0,1,0|2,0,1]=4 80 B8R0.23 N[C@@H](CS(O)=O)C(O)=O T41301 [0,0,0,0,1,0|2,0,1]=4 81 B8R0.23 N[C@H](CC(N)=O)C(O)=O TN3748 [0,0,0,0,1,0|3,0,0]=4 82 B8R0.23 N[C@H](CC(O)=O)C(O)=O T4885 [0,0,0,0,1,0|3,0,0]=4 83 B10R0.98 NC(CCCC(O)=O)C(O)=O T4705 [0,0,0,0,0,1|3,0,0]=4 84 B10R0.98 NC(CSCC(O)=O)C(O)=O T13440 [0,0,0,0,0,1|3,0,0]=4 85 B10R0.98 N[C@@H](CSCC(O)=O)C(O)=O T20124 [0,0,0,0,0,1|3,0,0]=4 86 B10R0.98 N[C@@H](CSCC(O)=O)C(O)=O T3612 [0,0,0,0,0,1|3,0,0]=4 87 B7R0.4 NCCCCC(O)=O T5089 [2,0,0,0,0,0|2,0,0]=4 88 B7R0.5 C#CCC(C(=O)O)N T20129 [2,0,0,0,0,0|0,0,2]=4 89 B7R0.5 CCCC(=O)C(O)=O T13484 [2,0,0,0,0,0|1,0,1]=4 90 B7R0.5 CCCC(C)C(O)=O T5685 [2,0,0,0,0,0|1,0,0]=3 91 B7R0.5 CCCC(N)C(O)=O T11054 [2,0,0,0,0,0|0,0,0]=2 92 B7R0.5 CCC[C@H](N)C(O)=O T4788 [2,0,0,0,0,0|0,0,0]=2 93 B7R0.5 CNCC(N)C([O-])=O T33346 [2,0,0,0,0,0|1,0,1]=4 94 B7R0.5 CSC[C@H](N)C(O)=O T8072 [2,0,0,0,0,0|0,0,1]=3 95 B7R0.5 C[Se]C[C@H](N)C(O)=O T7727 [2,0,0,0,0,0|0,1,0]=3 96 B7R0.5 NC(CC=C)C(O)=O T25052 [2,0,0,0,0,0|0,0,2]=4 97 B7R0.5 NC(CCS)C(O)=O T4863 [2,0,0,0,0,0|0,0,1]=3 98 B7R0.5 NCC[C@H](N)C(O)=O T7595 [2,0,0,0,0,0|1,0,0]=3 99 B7R0.5 N[C@@H](CC#N)C(O)=O T13576 [2,0,0,0,0,0|1,0,1]=4 100 B7R0.5 N[C@@H](CC=C)C(O)=O T37190 [2,0,0,0,0,0|0,0,2]=4 101 B7R0.5 N[C@@H](CCO)C(O)=O T4757 [2,0,0,0,0,0|0,1,0]=3 102 B7R0.5 N[C@@H](CCS)C(O)=O T19392 [2,0,0,0,0,0|0,0,1]=3 103 B7R0.5 N[C@@H](CNC)C(O)=O T22911 [2,0,0,0,0,0|1,0,0]=3 104 B7R0.5 N[C@@H](CSS)C(O)=O T26269 [2,0,0,0,0,0|1,0,1]=4 105 B9R0.47 C/C=C/SC[C@H](N)C(O)=O T12789 [1,1,0,0,0,0|1,0,1]=4 106 B9R0.47 CCCCCC(C)C(O)=O T8008 [1,1,0,0,0,0|2,0,0]=4 107 B9R0.47 CCSCC[C@@H](C(O)=O)N T20128 [1,1,0,0,0,0|0,0,1]=3 108 B9R0.47 NCCCCC(N)C(O)=O T19290 [1,1,0,0,0,0|1,0,0]=3 109 B9R0.47 NCCCC[C@@H](N)C(O)=O T21054 [1,1,0,0,0,0|1,0,0]=3 110 B9R0.47 NCCCC[C@@H](N)C(O)=O T33065 [1,1,0,0,0,0|1,0,0]=3 111 B9R0.47 NCCCC[C@H](N)C(N)=O T32814 [1,1,0,0,0,0|2,0,0]=4 112 B9R0.47 NCCCC[C@H](N)C(O)=O T21053 [1,1,0,0,0,0|1,0,0]=3 113 B9R0.47 NCCCC[C@H](N)C(O)=O T21055 [1,1,0,0,0,0|1,0,0]=3 114 B9R0.47 NCCCC[C@H](N)C(O)=O T2A2498 [1,1,0,0,0,0|1,0,0]=3 115 B9R0.47 NCCCC[C@H](N)C(O)=O T2A2498L2 [1,1,0,0,0,0|1,0,0]=3 116 B9R0.47 NCCCC[C@H](N)C(O)=O T32815 [1,1,0,0,0,0|1,0,0]=3 117 B9R0.47 NCCCC[C@H](N)C(O)=O T32819 [1,1,0,0,0,0|1,0,0]=3 118 B9R0.47 NCCCC[C@H](N)C(O)=O T33047 [1,1,0,0,0,0|1,0,0]=3 119 B9R0.47 NCCCC[C@H](N)C(O)=O T33050 [1,1,0,0,0,0|1,0,0]=3 120 B9R0.47 NCCCC[C@H](N)C(O)=O T33051 [1,1,0,0,0,0|1,0,0]=3 121 B9R0.47 NCCCC[C@H](N)C(O)=O T33054 [1,1,0,0,0,0|1,0,0]=3 122 B9R0.47 NCCCC[C@H](N)C(O)=O T33056 [1,1,0,0,0,0|1,0,0]=3 123 B9R0.47 NCCCC[C@H](N)C(O)=O T33057 [1,1,0,0,0,0|1,0,0]=3 124 B9R0.47 NCCCC[C@H](N)C(O)=O T33060 [1,1,0,0,0,0|1,0,0]=3 125 B9R0.47 NCCCC[C@H](N)C(O)=O T33061 [1,1,0,0,0,0|1,0,0]=3 126 B9R0.47 NCCCC[C@H](N)C(O)=O T33063 [1,1,0,0,0,0|1,0,0]=3 127 B9R0.47 NCCCC[C@H](N)C(O)=O T33089 [1,1,0,0,0,0|1,0,0]=3 128 B9R0.47 NCCCC[C@H](N)C(O)=O T8071 [1,1,0,0,0,0|1,0,0]=3 129 B9R0.47 NCCCC[C@H]([NH3+])C(O)=O T2A2498L [1,1,0,0,0,0|1,0,1]=4 130 B9R0.47 NCCOC[C@H](N)C(O)=O T11795 [1,1,0,0,0,0|2,0,0]=4 131 B9R0.47 NCC[Se]C[C@H](N)C(O)=O T26183 [1,1,0,0,0,0|2,0,0]=4 132 B9R0.47 N[C@@H](CCCCN)C(O)=O T24153 [1,1,0,0,0,0|1,0,0]=3 133 B9R0.47 N[C@@H](CCCCN)C(O)=O T2A2498L3 [1,1,0,0,0,0|1,0,0]=3 134 B9R0.47 N[C@@H](CCN=[N+]=[N-])C(O)=O T15693 [1,1,0,0,0,0|2,0,0]=4 135 B9R0.47 N[C@@H](CCSC=C)C(O)=O T35061 [1,1,0,0,0,0|0,0,2]=4 136 B9R0.47 N[C@@H](CCSN=O)C(O)=O T26199 [1,1,0,0,0,0|1,0,1]=4 137 B9R0.47 N[C@@H](CSCC#C)C(O)=O T19728 [1,1,0,0,0,0|1,0,1]=4 138 B9R0.47 N[C@@H](CSCCN)C(O)=O T34844 [1,1,0,0,0,0|2,0,0]=4 139 B9R0.47 OC(=O)[C@@H](N)CSCC=C T2772 [1,1,0,0,0,0|1,0,1]=4 140 B9R0.1 COC(=O)CCCC(O)=O T4764 [1,1,0,0,0,0|2,0,0]=4 141 B9R0.56 C[N+](C)(C)CCCC(O)=O T4702 [1,1,0,0,0,0|1,0,0]=3 142 B9R0.57 CC(C)(C)C[C@H](N)C(O)=O T31907 [0,1,0,0,1,0|1,0,0]=3 143 B9R0.79 CC(O)[C@H](C)[C@H](N)C(O)=O T7448 [0,1,0,0,1,0|2,0,0]=4 144 B9R0.79 CC(O)[C@H](C)[C@H](N)C(O)=O TN6405 [0,1,0,0,1,0|2,0,0]=4 145 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(O)=O T2P2919 [0,1,0,0,1,0|2,0,0]=4 146 B11R0.149 CC(C)C[C@H](N)[C@@H](O)CC(O)=O T13011 [0,1,0,0,0,1|2,0,0]=4 147 B11R0.117 [3H]C(CN)C([3H])C[C@H](N)C(O)=O T33067 [0,2,0,0,0,0|2,0,0]=4 148 B11R0.120 COC(=O)CC[C@H](N)C(=O)OC T7658 [0,2,0,0,0,0|2,0,0]=4 149 B11R0.141 CCNC(=O)CC[C@H](N)C(O)=O T2800 [0,2,0,0,0,0|2,0,0]=4 150 B9R1.6 OC(=O)C1CCCCC1 T5563 [1,0,0,1,0,0|2,0,0]=4 151 B9R1.6 OC(=O)C1CCCCN1 T4819 [1,0,0,1,0,0|1,0,0]=3 152 B9R1.6 OC(=O)C1CCNCC1 T22348 [1,0,0,1,0,0|2,0,0]=4 153 B9R1.6 OC(=O)[C@@H]1CCCCN1 T4762 [1,0,0,1,0,0|1,0,0]=3 154 B9R1.6 OC(=O)[C@H]1CCCCN1 T13634 [1,0,0,1,0,0|1,0,0]=3 155 B9R1.35 C(=O)([C@H]1NC(=O)CC1)O T0507 [1,0,0,1,0,0|2,0,0]=4 156 B9R1.35 O=C(O)C1CCC(N1)=O T9371 [1,0,0,1,0,0|2,0,0]=4 157 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 T31268 [1,0,0,1,0,0|2,0,0]=4 158 B9R1.35 OC(=O)[C@H]1CCC(=O)N1 T4814 [1,0,0,1,0,0|2,0,0]=4 159 B9R1.163 NC1(CCCC1)C(O)=O T9626 [1,0,0,1,0,0|1,0,0]=3 160 B9R1.152 N[C@@]1(C[C@H](F)C1)C(O)=O T31812 [0,0,0,1,1,0|2,0,0]=4 161 B11R1.3 NC[C@H]1CC[C@@H](CC1)C(O)=O T0949 [0,1,0,1,0,0|2,0,0]=4 162 B7R0.2 CC(C)C[C@H](N)C=O T25675 [1,0,0,0,1,0|1,0,0]=3 163 B7R0.2 CC(C)C[C@H](N)CO T5652 [1,0,0,0,1,0|1,0,1]=4 164 B7R0.16 CC(C)C(O)C(O)=O T5273 [0,0,0,0,2,0|2,0,0]=4 165 B7R0.16 CC(C)[C@H](C(O)=O)N T9298 [0,0,0,0,2,0|1,0,0]=3 166 B7R0.16 CC(C)[C@H](N)C(O)=O T2O2776 [0,0,0,0,2,0|1,0,0]=3 167 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O T2O2777 [0,0,0,0,2,0|2,0,0]=4 168 B7R0.16 C[C@@H]([C@H](C(O)=O)N)O T40729 [0,0,0,0,2,0|2,0,0]=4 169 B7R0.16 C[C@H](O)[C@H](N)C(O)=O T5076 [0,0,0,0,2,0|2,0,0]=4 170 B7R0.16 NC(C(C)C)C(O)=O T9294 [0,0,0,0,2,0|1,0,0]=3 171 B7R0.16 N[C@@H]([C@H](O)C)C(O)=O T13656 [0,0,0,0,2,0|2,0,0]=4 172 B7R0.16 O=C([C@@H]([C@@H](O)C)N)O T21248 [0,0,0,0,2,0|2,0,0]=4 173 B9R0.4 NCCC[C@@H](N)CC(O)=O T29260 [1,0,0,0,0,1|2,0,0]=4 174 B9R0.55 CC(=O)NCCCC(O)=O T4728 [1,0,0,0,0,1|2,0,0]=4 175 B9R0.55 CC(=O)OCCCC(O)=O T23605 [1,0,0,0,0,1|2,0,0]=4 176 B11R0.29 CC(=N)NCCC[C@H](N)C(O)=O T11806 [0,0,0,0,0,2|2,0,0]=4 177 B11R0.29 CC(C)=CCSC[C@H](N)C(O)=O T34129 [0,0,0,0,0,2|1,0,0]=3