0 B8R0.2 CC[C@@H](C)[C@@H](C(=O)O)N HAA1515 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.2 CC[C@@H](C)[C@H](C(=O)O)N HAA1029 [0,0,0,0,0,0|0,0,0]=0 2 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N HAA1093 [0,0,0,0,0,0|0,0,0]=0 3 B8R0.2 CC[C@H](C)[C@H](C(=O)O)N HAA1186 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.2 C[C@@H]([C@@H](C(=O)O)N)OC HAA1660 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.2 C[C@H]([C@H](C(=O)O)N)OC HAA1665 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.2 C([C@@H](CO)N)C(=O)O HAA8460 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.2 C([C@H](CO)N)C(=O)O HAA8570 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.2 C=CC(CC(=O)O)N HAA2510 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.2 C=CC(CC(=O)O)N HAA2700 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.5 C#CC[C@@H](C(=O)O)N HAA7150 [1,0,0,0,0,0|0,0,2]=3 11 B7R0.5 C#CC[C@@H](C(=O)O)N HAA7151 [1,0,0,0,0,0|0,0,2]=3 12 B7R0.5 C#CC[C@H](C(=O)O)N HAA6490 [1,0,0,0,0,0|0,0,2]=3 13 B7R0.5 C(C#N)[C@@H](C(=O)O)N HAA5740 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.5 C(CN)[C@@H](C(=O)O)N HAA1224 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.5 C(CN)[C@H](C(=O)O)N HAA1179 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.5 C(CO)[C@@H](C(=O)O)N HAA1090 [1,0,0,0,0,0|1,0,0]=2 17 B7R0.5 C(CO)[C@H](C(=O)O)N HAA1028 [1,0,0,0,0,0|1,0,0]=2 18 B7R0.5 C=CC[C@@H](C(=O)O)N HAA7320 [1,0,0,0,0,0|0,0,2]=3 19 B7R0.5 C=CC[C@H](C(=O)O)N HAA7260 [1,0,0,0,0,0|0,0,2]=3 20 B7R0.5 CCC[C@@H](C(=O)O)N HAA1114 [1,0,0,0,0,0|0,0,0]=1 21 B7R0.5 CCC[C@H](C(=O)O)N HAA1040 [1,0,0,0,0,0|0,0,0]=1 22 B7R0.5 CNC[C@@H](C(=O)O)N HAA1680 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.5 CNC[C@H](C(=O)O)N HAA1685 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.5 CSC[C@@H](C(=O)O)N HAA1078 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.10 CC[C@H](C)[C@@H](CO)N FAL1026 [1,0,0,0,0,0|0,0,1]=2 26 B7R0.16 CC(C)[C@@H](C(=O)N)N HAA7500 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.16 CC(C)[C@@H](C(=O)O)N HAA1143 [1,0,0,0,0,0|0,0,0]=1 28 B7R0.16 CC(C)[C@H](C(=O)O)N HAA1060 [1,0,0,0,0,0|0,0,0]=1 29 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O HAA1188 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O HAA1053 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O HAA1166 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O HAA1131 [1,0,0,0,0,0|1,0,0]=2 33 B7R0.16 C[C@H]([C@H](C(=O)O)N)O HAA1187 [1,0,0,0,0,0|1,0,0]=2 34 B9R0.6 CCO[C@@H](C)[C@@H](C(=O)O)N HAA1670 [0,1,0,0,0,0|0,0,0]=1 35 B9R0.6 CCO[C@H](C)[C@H](C(=O)O)N HAA1675 [0,1,0,0,0,0|0,0,0]=1 36 B9R0.27 CC[C@H](C)[C@@H](C(=O)OC)N HAA6760 [0,1,0,0,0,0|0,0,0]=1 37 B9R0.29 CC[C@H](C)[C@@H](C(=O)O)NC HAA6920 [0,1,0,0,0,0|0,0,0]=1 38 B9R0.79 CC(C)[C@@H]([C@H](C(=O)O)N)O HAA1655 [0,1,0,0,0,0|1,0,0]=2 39 B9R0.79 CC(C)[C@H]([C@@H](C(=O)O)N)O HAA1650 [0,1,0,0,0,0|1,0,0]=2 40 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O HAA2365 [0,0,0,1,0,0|2,0,0]=3 41 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O HAA2555 [0,0,0,1,0,0|2,0,0]=3 42 B9R1.41 CN1CCC[C@H]1C(=O)O HAA2250 [0,0,0,1,0,0|2,0,0]=3 43 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O HAA1785 [0,0,0,1,0,0|0,0,0]=1 44 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O HAA1780 [0,0,0,1,0,0|0,0,0]=1 45 B9R0.23 CC[C@@H](C)[C@@H](CC(=O)O)N HAA8650 [0,0,0,0,0,1|0,0,0]=1 46 B9R0.23 CC[C@H](C)[C@H](CC(=O)O)N HAA8510 [0,0,0,0,0,1|0,0,0]=1 47 B9R0.42 COC(=O)C[C@@H](C(=O)O)N HAA5190 [0,0,0,0,0,1|2,0,1]=4 48 B6R0.2 *[C@@H](C)CC(=O)* EZK9050 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.2 C[C@@H](CC(=O)O)N HAA8470 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.2 C[C@H](CC(=O)O)N HAA8430 [2,0,0,0,0,0|1,0,0]=3 51 B6R0.4 C(CC(=O)O)CN HAA1061 [2,0,0,0,0,0|1,0,0]=3 52 B6R0.3 C(C(C(=O)O)N)N HAA7960 [2,0,0,0,0,0|1,0,0]=3 53 B6R0.3 C([C@@H](C(=O)O)N)N HAA1081 [2,0,0,0,0,0|1,0,0]=3 54 B6R0.3 C([C@@H](C(=O)O)N)O HAA1129 [2,0,0,0,0,0|1,0,0]=3 55 B6R0.3 C([C@@H](C(=O)O)N)S HAA1080 [2,0,0,0,0,0|1,0,0]=3 56 B6R0.3 C([C@@H](C(=O)O)O)N HAA1900 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.3 C([C@H](C(=O)O)N)N HAA1019 [2,0,0,0,0,0|1,0,0]=3 58 B6R0.3 C([C@H](C(=O)O)N)O HAA1051 [2,0,0,0,0,0|1,0,0]=3 59 B6R0.3 C([C@H](C(=O)O)N)S HAA1017 [2,0,0,0,0,0|1,0,0]=3 60 B6R0.3 CC(C)[C@@H](CO)N FAL1018 [2,0,0,0,0,0|0,0,1]=3 61 B6R0.3 CC[C@@H](C(=O)O)N HAA1247 [2,0,0,0,0,0|0,0,0]=2 62 B6R0.3 CC[C@H](C(=O)O)N HAA1006 [2,0,0,0,0,0|0,0,0]=2 63 B6R0.3 C[C@@H](C(=O)O)NC HAA1206 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.3 C[C@H](C(=O)O)NC HAA1193 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.3 C[C@H]([C@@H](CO)N)O FAL1016 [2,0,0,0,0,0|1,0,1]=4 66 B8R0.5 C=CCC(CC(=O)O)N HAA2515 [1,1,0,0,0,0|1,0,1]=4 67 B8R0.5 C=CCC(CC(=O)O)N HAA2705 [1,1,0,0,0,0|1,0,1]=4 68 B8R0.5 C=CC[C@@H](CC(=O)O)N HAA8700 [1,1,0,0,0,0|1,0,1]=4 69 B8R0.5 C=CC[C@H](CC(=O)O)N HAA8690 [1,1,0,0,0,0|1,0,1]=4 70 B8R0.5 CCCC(CC(=O)O)N HAA2445 [1,1,0,0,0,0|1,0,0]=3 71 B8R0.5 CCCC(CC(=O)O)N HAA2635 [1,1,0,0,0,0|1,0,0]=3 72 B8R0.23 CC(=O)N(C)CC(=O)O PSR1200 [1,1,0,0,0,0|1,0,1]=4 73 B8R0.23 CC(=O)N(C)CC(=O)O PSR1210 [1,1,0,0,0,0|1,0,1]=4 74 B8R0.23 CC(=O)N(C)CC(=O)O PSR1220 [1,1,0,0,0,0|1,0,1]=4 75 B8R0.23 CC(=O)N(C)CC(=O)O PSR1230 [1,1,0,0,0,0|1,0,1]=4 76 B8R0.23 CC(C)C(CC(=O)O)N HAA2470 [1,1,0,0,0,0|1,0,0]=3 77 B8R0.23 CC(C)C(CC(=O)O)N HAA2660 [1,1,0,0,0,0|1,0,0]=3 78 B8R0.23 CC(C)[C@@H](CC(=O)O)N HAA8610 [1,1,0,0,0,0|1,0,0]=3 79 B8R0.23 CC(C)[C@H](CC(=O)O)N HAA8680 [1,1,0,0,0,0|1,0,0]=3 80 B8R0.23 C[C@@H]([C@H](CC(=O)O)N)O HAA8580 [1,1,0,0,0,0|1,0,0]=3 81 B8R0.34 CC(CC(=O)O)(C=C)N HAA2520 [1,1,0,0,0,0|0,0,2]=4 82 B8R0.34 CC(CC(=O)O)(C=C)N HAA2710 [1,1,0,0,0,0|0,0,2]=4 83 B8R0.34 CC(CC(=O)O)(CCl)N HAA2475 [1,1,0,0,0,0|1,0,0]=3 84 B8R0.34 CC(CC(=O)O)(CCl)N HAA2665 [1,1,0,0,0,0|1,0,0]=3 85 B8R0.8 C(C[C@@H](C(=O)O)N)C#N HAA5700 [1,1,0,0,0,0|0,0,1]=3 86 B8R0.8 C(C[C@@H](C(=O)O)N)CN HAA1115 [1,1,0,0,0,0|0,0,0]=2 87 B8R0.8 C(C[C@H](C(=O)O)N)CN HAA1041 [1,1,0,0,0,0|0,0,0]=2 88 B8R0.8 C([C@@H](C(=O)O)N)N=[N+]=[N-] HAA1880 [1,1,0,0,0,0|2,0,0]=4 89 B8R0.8 C([C@H](C(=O)O)N)N=[N+]=[N-] HAA1885 [1,1,0,0,0,0|2,0,0]=4 90 B8R0.8 CCCC[C@@H](C(=O)O)N HAA1113 [1,1,0,0,0,0|0,0,0]=2 91 B8R0.8 CCCC[C@H](C(=O)O)N HAA1039 [1,1,0,0,0,0|0,0,0]=2 92 B8R0.8 CSCC[C@@H](C(=O)N)N HAA6930 [1,1,0,0,0,0|1,0,0]=3 93 B8R0.8 CSCC[C@@H](C(=O)O)N HAA1109 [1,1,0,0,0,0|0,0,0]=2 94 B8R0.8 CSCC[C@H](C(=O)O)N HAA1037 [1,1,0,0,0,0|0,0,0]=2 95 B8R0.12 CCC[C@@](C)(C(=O)O)N HAA1635 [1,1,0,0,0,0|0,0,0]=2 96 B8R0.12 CCC[C@](C)(C(=O)O)N HAA1558 [1,1,0,0,0,0|0,0,0]=2 97 B8R0.12 C[C@@](CC#C)(C(=O)O)N HAA5500 [1,1,0,0,0,0|0,0,2]=4 98 B8R0.12 C[C@@](CC=C)(C(=O)O)N HAA5240 [1,1,0,0,0,0|0,0,2]=4 99 B8R0.12 C[C@](CC#C)(C(=O)O)N HAA5510 [1,1,0,0,0,0|0,0,2]=4 100 B8R0.12 C[C@](CC=C)(C(=O)O)N HAA5250 [1,1,0,0,0,0|0,0,2]=4 101 B8R0.18 CC(C)[C@@H](C(=O)O)NC HAA1222 [1,1,0,0,0,0|0,0,0]=2 102 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N HAA1134 [1,1,0,0,0,0|0,0,0]=2 103 B8R0.27 CC(C)(C)[C@H](C(=O)O)N HAA1514 [1,1,0,0,0,0|0,0,0]=2 104 B8R0.27 CC(C)([C@@H](C(=O)O)N)O HAA1640 [1,1,0,0,0,0|0,0,0]=2 105 B8R0.27 CC(C)([C@H](C(=O)O)N)O HAA1645 [1,1,0,0,0,0|0,0,0]=2 106 B8R0.37 CC(C)[C@@](C)(C(=O)O)N HAA1549 [1,1,0,0,0,0|0,0,0]=2 107 B8R0.37 CC(C)[C@](C)(C(=O)O)N HAA5380 [1,1,0,0,0,0|0,0,0]=2 108 B8R1.7 C1C=C[C@H](N1)C(=O)O HAA6180 [1,0,0,1,0,0|0,0,2]=4 109 B8R1.7 C1C[C@@H](NC1)C(=O)N HAA1047 [1,0,0,1,0,0|1,0,0]=3 110 B8R1.7 C1C[C@@H](NC1)C(=O)O HAA1048 [1,0,0,1,0,0|0,0,0]=2 111 B8R1.7 C1C[C@H](NC1)C(=O)N HAA7160 [1,0,0,1,0,0|1,0,0]=3 112 B8R1.7 C1C[C@H](NC1)C(=O)O HAA1126 [1,0,0,1,0,0|0,0,0]=2 113 B8R1.7 C1[C@H](NCS1)C(=O)O HAA1132 [1,0,0,1,0,0|1,0,0]=3 114 B8R1.78 C1CC(C1)(C(=O)O)N HAA5170 [1,0,0,1,0,0|0,0,0]=2 115 B10R1.113 C1C[C@H](C[C@H](C1)N)C(=O)O HAA5220 [0,0,0,1,0,1|2,0,0]=4 116 B10R1.203 CC1(N=N1)C[C@@H](C(=O)O)N HAA3100 [0,0,0,1,0,1|2,0,0]=4 117 B10R1.23 C1CCC(C1)[C@@H](C(=O)O)N HAA1076 [0,1,0,1,0,0|0,0,0]=2 118 B10R1.23 C1CCC(C1)[C@H](C(=O)O)N HAA1016 [0,1,0,1,0,0|0,0,0]=2 119 B10R1.61 C1CC[C@@H]([C@@H](C1)C(=O)O)N HAA2415 [0,1,0,1,0,0|2,0,0]=4 120 B10R1.61 C1CC[C@H]([C@H](C1)C(=O)O)N HAA2605 [0,1,0,1,0,0|2,0,0]=4 121 B10R1.128 C[C@@]1(CCC[C@H]1C(=O)O)N HAA2595 [0,1,0,1,0,0|1,0,0]=3 122 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N HAA2405 [0,1,0,1,0,0|1,0,0]=3