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CC(C)[C@H](CC(=O)O)N HAA8680 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.23 CN(C)C[C@@H](C(=O)O)N HAA1690 [0,0,0,0,0,0|3,0,0]=3 18 B8R0.23 CN(C)C[C@H](C(=O)O)N HAA1695 [0,0,0,0,0,0|3,0,0]=3 19 B8R0.23 C[C@@H](C(=O)O)NC(=O)C AAA1911 [0,0,0,0,0,0|3,0,0]=3 20 B8R0.23 C[C@@H]([C@H](CC(=O)O)N)O HAA8580 [0,0,0,0,0,0|2,0,1]=3 21 B8R0.23 C[C@H](C(=O)O)NC(=O)C AAA1909 [0,0,0,0,0,0|3,0,0]=3 22 B7R0.2 C([C@@H](CO)N)C(=O)O HAA8460 [1,0,0,0,0,0|1,0,1]=3 23 B7R0.2 C([C@H](CO)N)C(=O)O HAA8570 [1,0,0,0,0,0|1,0,1]=3 24 B7R0.2 C=CC(CC(=O)O)N HAA2510 [1,0,0,0,0,0|2,0,0]=3 25 B7R0.2 C=CC(CC(=O)O)N HAA2700 [1,0,0,0,0,0|2,0,0]=3 26 B7R0.5 C#CC[C@@H](C(=O)O)N HAA7150 [1,0,0,0,0,0|1,0,1]=3 27 B7R0.5 C#CC[C@@H](C(=O)O)N HAA7151 [1,0,0,0,0,0|1,0,1]=3 28 B7R0.5 C#CC[C@H](C(=O)O)N HAA6490 [1,0,0,0,0,0|1,0,1]=3 29 B7R0.5 C(C#N)[C@@H](C(=O)O)N HAA5740 [1,0,0,0,0,0|0,0,2]=3 30 B7R0.5 C(CN)[C@@H](C(=O)O)N HAA1224 [1,0,0,0,0,0|0,0,1]=2 31 B7R0.5 C(CN)[C@H](C(=O)O)N HAA1179 [1,0,0,0,0,0|0,0,1]=2 32 B7R0.5 C(CO)[C@@H](C(=O)O)N HAA1090 [1,0,0,0,0,0|0,0,2]=3 33 B7R0.5 C(CO)[C@H](C(=O)O)N HAA1028 [1,0,0,0,0,0|0,0,2]=3 34 B7R0.5 C=CC[C@@H](C(=O)O)N HAA7320 [1,0,0,0,0,0|1,0,0]=2 35 B7R0.5 C=CC[C@H](C(=O)O)N HAA7260 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.5 CCC[C@@H](C(=O)O)N HAA1114 [1,0,0,0,0,0|1,0,1]=3 37 B7R0.5 CCC[C@H](C(=O)O)N HAA1040 [1,0,0,0,0,0|1,0,1]=3 38 B7R0.5 CNC[C@@H](C(=O)O)N HAA1680 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.5 CNC[C@H](C(=O)O)N HAA1685 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.5 CSC[C@@H](C(=O)O)N HAA1078 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.6 CC(=O)NCC(=O)O AAA1915 [1,0,0,0,0,0|2,0,0]=3 42 B9R0.11 CC(=C)C(C)(CC(=O)O)N HAA2500 [0,1,0,0,0,0|3,0,0]=4 43 B9R0.11 CC(=C)C(C)(CC(=O)O)N HAA2690 [0,1,0,0,0,0|3,0,0]=4 44 B9R0.11 CC(C)C[C@@](C)(C(=O)O)N HAA5400 [0,1,0,0,0,0|2,0,1]=4 45 B9R0.11 CC(C)C[C@](C)(C(=O)O)N HAA5280 [0,1,0,0,0,0|2,0,1]=4 46 B9R0.11 C[C@@](CC(=O)O)(C(=O)O)N HAA7540 [0,1,0,0,0,0|1,0,0]=2 47 B9R0.11 C[C@](CC(=O)O)(C(=O)O)N HAA7550 [0,1,0,0,0,0|1,0,0]=2 48 B9R0.23 CC(C)C[C@@H](C(=O)OC)N HAA1095 [0,1,0,0,0,0|2,0,1]=4 49 B9R0.23 CC(C)C[C@H](C(=O)OC)N HAA1031 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.23 C[C@@H](C(=O)OC)NC(=O)C AAA1912 [0,1,0,0,0,0|3,0,0]=4 51 B9R0.23 C[C@H](C(=O)OC)NC(=O)C AAA1910 [0,1,0,0,0,0|3,0,0]=4 52 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O AAA1300 [0,1,0,0,0,0|3,0,0]=4 53 B9R0.39 CC(C)C[C@@H](C(=O)O)NC HAA1210 [0,1,0,0,0,0|2,0,1]=4 54 B9R0.42 COC(=O)C[C@@H](C(=O)O)N HAA5190 [0,1,0,0,0,0|1,0,0]=2 55 B9R0.57 CC(C)(C)C[C@@H](C(=O)O)N HAA1111 [0,1,0,0,0,0|2,0,1]=4 56 B9R0.57 CC(C)(C)C[C@H](C(=O)O)N HAA8620 [0,1,0,0,0,0|2,0,1]=4 57 B9R0.79 CC(C)[C@@H]([C@H](C(=O)O)N)O HAA1655 [0,1,0,0,0,0|2,0,1]=4 58 B9R0.79 CC(C)[C@H]([C@@H](C(=O)O)N)O HAA1650 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.35 C1C(N=C(S1)N)C(=O)O HAA5890 [0,0,0,1,0,0|2,1,0]=4 60 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O HAA1189 [0,0,0,1,0,0|3,0,0]=4 61 B9R1.35 C1CC(=O)N[C@H]1C(=O)O HAA1049 [0,0,0,1,0,0|3,0,0]=4 62 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O HAA1172 [0,0,0,1,0,0|1,0,2]=4 63 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O HAA1169 [0,0,0,1,0,0|1,0,2]=4 64 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O HAA1159 [0,0,0,1,0,0|1,0,2]=4 65 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O HAA1171 [0,0,0,1,0,0|1,0,2]=4 66 B7R0.16 CC(C)[C@@H](C(=O)N)N HAA7500 [0,0,0,0,1,0|2,0,1]=4 67 B7R0.16 CC(C)[C@@H](C(=O)O)N HAA1143 [0,0,0,0,1,0|2,0,1]=4 68 B7R0.16 CC(C)[C@H](C(=O)O)N HAA1060 [0,0,0,0,1,0|2,0,1]=4 69 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O HAA1188 [0,0,0,0,1,0|1,0,2]=4 70 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O HAA1053 [0,0,0,0,1,0|1,0,2]=4 71 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O HAA1166 [0,0,0,0,1,0|1,0,1]=3 72 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O HAA1131 [0,0,0,0,1,0|1,0,2]=4 73 B7R0.16 C[C@H]([C@H](C(=O)O)N)O HAA1187 [0,0,0,0,1,0|1,0,2]=4 74 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N HAA1083 [0,0,0,0,0,1|0,0,0]=1 75 B9R0.7 C(CC(=O)N)[C@H](C(=O)O)N HAA1021 [0,0,0,0,0,1|0,0,0]=1 76 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N HAA1087 [0,0,0,0,0,1|1,0,0]=2 77 B9R0.7 C([C@@H](C(=O)O)N)NC(=O)N HAA8150 [0,0,0,0,0,1|0,0,0]=1 78 B9R0.7 CC(C)CC[C@@H](C(=O)O)N HAA2290 [0,0,0,0,0,1|2,0,1]=4 79 B9R0.7 CS(=O)CCC(C(=O)O)N HAA8160 [0,0,0,0,0,1|2,0,0]=3 80 B9R0.53 C(C(CC(=O)O)N)C(=O)O HAA8480 [0,0,0,0,0,1|1,0,0]=2 81 B9R0.53 CC(C)CC(CC(=O)O)N HAA2495 [0,0,0,0,0,1|2,0,1]=4 82 B9R0.53 CC(C)CC(CC(=O)O)N HAA2685 [0,0,0,0,0,1|2,0,1]=4 83 B9R0.53 CC(C)C[C@@H](CC(=O)O)N HAA8520 [0,0,0,0,0,1|2,0,1]=4 84 B9R0.53 CC(C)C[C@H](CC(=O)O)N HAA8660 [0,0,0,0,0,1|2,0,1]=4 85 B6R0.2 C[C@@H](CC(=O)O)N HAA8470 [2,0,0,0,0,0|1,0,1]=4 86 B6R0.2 C[C@H](CC(=O)O)N HAA8430 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.4 C(CC(=O)O)CN HAA1061 [2,0,0,0,0,0|0,0,1]=3 88 B6R0.3 C(C(C(=O)O)N)N HAA7960 [2,0,0,0,0,0|0,0,0]=2 89 B6R0.3 C([C@@H](C(=O)O)N)N HAA1081 [2,0,0,0,0,0|0,0,0]=2 90 B6R0.3 C([C@@H](C(=O)O)N)O HAA1129 [2,0,0,0,0,0|0,0,1]=3 91 B6R0.3 C([C@@H](C(=O)O)N)S HAA1080 [2,0,0,0,0,0|0,1,0]=3 92 B6R0.3 C([C@@H](C(=O)O)O)N HAA1900 [2,0,0,0,0,0|1,0,0]=3 93 B6R0.3 C([C@H](C(=O)O)N)N HAA1019 [2,0,0,0,0,0|0,0,0]=2 94 B6R0.3 C([C@H](C(=O)O)N)O HAA1051 [2,0,0,0,0,0|0,0,1]=3 95 B6R0.3 C([C@H](C(=O)O)N)S HAA1017 [2,0,0,0,0,0|0,1,0]=3 96 B6R0.3 CC[C@@H](C(=O)O)N HAA1247 [2,0,0,0,0,0|0,0,1]=3 97 B6R0.3 CC[C@H](C(=O)O)N HAA1006 [2,0,0,0,0,0|0,0,1]=3 98 B8R0.5 C=CCC(CC(=O)O)N HAA2515 [1,1,0,0,0,0|2,0,0]=4 99 B8R0.5 C=CCC(CC(=O)O)N HAA2705 [1,1,0,0,0,0|2,0,0]=4 100 B8R0.5 C=CC[C@@H](CC(=O)O)N HAA8700 [1,1,0,0,0,0|2,0,0]=4 101 B8R0.5 C=CC[C@H](CC(=O)O)N HAA8690 [1,1,0,0,0,0|2,0,0]=4 102 B8R0.34 CC(CC(=O)O)(C=C)N HAA2520 [1,1,0,0,0,0|2,0,0]=4 103 B8R0.34 CC(CC(=O)O)(C=C)N HAA2710 [1,1,0,0,0,0|2,0,0]=4 104 B8R0.8 C(C[C@@H](C(=O)O)N)C#N HAA5700 [1,1,0,0,0,0|0,0,2]=4 105 B8R0.8 C(C[C@@H](C(=O)O)N)CN HAA1115 [1,1,0,0,0,0|0,0,1]=3 106 B8R0.8 C(C[C@H](C(=O)O)N)CN HAA1041 [1,1,0,0,0,0|0,0,1]=3 107 B8R0.8 C([C@@H](C(=O)O)N)N=[N+]=[N-] HAA1880 [1,1,0,0,0,0|1,0,1]=4 108 B8R0.8 C([C@H](C(=O)O)N)N=[N+]=[N-] HAA1885 [1,1,0,0,0,0|1,0,1]=4 109 B8R0.8 CCCC[C@@H](C(=O)O)N HAA1113 [1,1,0,0,0,0|1,0,1]=4 110 B8R0.8 CCCC[C@H](C(=O)O)N HAA1039 [1,1,0,0,0,0|1,0,1]=4 111 B8R0.8 CSCC[C@@H](C(=O)O)N HAA1109 [1,1,0,0,0,0|0,1,1]=4 112 B8R0.8 CSCC[C@H](C(=O)O)N HAA1037 [1,1,0,0,0,0|0,1,1]=4 113 B8R0.12 CCC[C@@](C)(C(=O)O)N HAA1635 [1,1,0,0,0,0|1,0,1]=4 114 B8R0.12 CCC[C@](C)(C(=O)O)N HAA1558 [1,1,0,0,0,0|1,0,1]=4 115 B8R0.12 C[C@@](CC#C)(C(=O)O)N HAA5500 [1,1,0,0,0,0|1,0,1]=4 116 B8R0.12 C[C@@](CC=C)(C(=O)O)N HAA5240 [1,1,0,0,0,0|1,0,0]=3 117 B8R0.12 C[C@](CC#C)(C(=O)O)N HAA5510 [1,1,0,0,0,0|1,0,1]=4 118 B8R0.12 C[C@](CC=C)(C(=O)O)N HAA5250 [1,1,0,0,0,0|1,0,0]=3 119 B10R0.57 COC(=O)[C@@H](CCC(=O)N)N HAA1022 [0,1,0,0,0,1|0,0,0]=2 120 B10R0.82 COC(=O)CC[C@@H](C(=O)N)N HAA1910 [0,1,0,0,0,1|2,0,0]=4 121 B10R0.82 COC(=O)CC[C@@H](C(=O)O)N HAA1236 [0,1,0,0,0,1|1,0,0]=3 122 B10R0.82 COC(=O)CC[C@H](C(=O)O)N HAA1564 [0,1,0,0,0,1|1,0,0]=3 123 B10R0.92 CS(=O)(=O)CC[C@@H](C(=O)O)N HAA1165 [0,1,0,0,0,1|2,0,0]=4 124 B10R0.92 CS(=O)(=O)CC[C@H](C(=O)O)N HAA2025 [0,1,0,0,0,1|2,0,0]=4 125 B10R0.46 COC(=O)C[C@@H](C(=O)OC)N HAA1071 [0,2,0,0,0,0|1,0,0]=3 126 B10R0.46 COC(=O)C[C@H](C(=O)OC)N HAA1590 [0,2,0,0,0,0|1,0,0]=3 127 B8R1.7 C1C=C[C@H](N1)C(=O)O HAA6180 [1,0,0,1,0,0|1,0,1]=4 128 B8R1.7 C1C[C@@H](NC1)C(=O)O HAA1048 [1,0,0,1,0,0|1,0,1]=4 129 B8R1.7 C1C[C@H](NC1)C(=O)O HAA1126 [1,0,0,1,0,0|1,0,1]=4 130 B8R1.7 C1[C@H](NCS1)C(=O)O HAA1132 [1,0,0,1,0,0|2,0,0]=4 131 B8R1.78 C1CC(C1)(C(=O)O)N HAA5170 [1,0,0,1,0,0|1,0,1]=4 132 B8R0.28 CC(=O)NCCC(=O)N AAA1906 [1,0,0,0,0,1|1,0,0]=3 133 B8R0.28 CC(=O)NCCC(=O)O AAA1907 [1,0,0,0,0,1|1,0,0]=3 134 B10R0.96 C(CC(=O)N)[C@@H](CC(=O)O)N HAA8490 [0,0,0,0,0,2|0,0,0]=2 135 B10R0.96 C(CC(=O)N)[C@H](CC(=O)O)N HAA8630 [0,0,0,0,0,2|0,0,0]=2 136 B10R0.96 C(CC(=O)O)[C@@H](CC(=O)O)N HAA8500 [0,0,0,0,0,2|1,0,0]=3 137 B10R0.96 C(CC(=O)O)[C@H](CC(=O)O)N HAA8640 [0,0,0,0,0,2|1,0,0]=3 138 B10R0.98 C(C[C@@H](C(=O)O)N)CC(=O)O HAA1089 [0,0,0,0,0,2|1,0,0]=3 139 B10R0.98 C([C@@H](C(=O)O)N)SCC(=O)O HAA1077 [0,0,0,0,0,2|1,0,0]=3 140 B10R0.98 CC(=O)NCC[C@@H](C(=O)O)N HAA1985 [0,0,0,0,0,2|1,0,0]=3