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[0,1,0,0,0,0|1,0,0]=2 35 B7R0.5 CCC[C@H](C(=O)O)N HAA1040 [0,1,0,0,0,0|1,0,0]=2 36 B7R0.5 CNC[C@@H](C(=O)O)N HAA1680 [0,1,0,0,0,0|1,0,0]=2 37 B7R0.5 CNC[C@H](C(=O)O)N HAA1685 [0,1,0,0,0,0|1,0,0]=2 38 B7R0.5 CSC[C@@H](C(=O)O)N HAA1078 [0,1,0,0,0,0|0,1,0]=2 39 B7R0.10 CC[C@H](C)[C@@H](CO)N FAL1026 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.10 COC(=O)[C@@H](CO)N HAA6540 [0,1,0,0,0,0|0,0,0]=1 41 B7R0.10 COC(=O)[C@H](CO)N HAA7210 [0,1,0,0,0,0|0,0,0]=1 42 B7R0.13 CC[C@@](C)(C(=O)O)N HAA5270 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.13 CC[C@](C)(C(=O)O)N HAA5260 [0,1,0,0,0,0|1,0,0]=2 44 B7R0.13 C[C@@](CS)(C(=O)O)N HAA5180 [0,1,0,0,0,0|0,1,0]=2 45 B7R0.13 C[C@](CS)(C(=O)O)N HAA2075 [0,1,0,0,0,0|0,1,0]=2 46 B7R0.16 CC(C)[C@@H](C(=O)N)N HAA7500 [0,1,0,0,0,0|2,0,0]=3 47 B7R0.16 CC(C)[C@@H](C(=O)O)N HAA1143 [0,1,0,0,0,0|1,0,0]=2 48 B7R0.16 CC(C)[C@H](C(=O)O)N HAA1060 [0,1,0,0,0,0|1,0,0]=2 49 B7R0.16 C[C@@H]([C@@H](C(=O)O)N)O HAA1188 [0,1,0,0,0,0|0,0,0]=1 50 B7R0.16 C[C@@H]([C@H](C(=O)O)N)O HAA1053 [0,1,0,0,0,0|0,0,0]=1 51 B7R0.16 C[C@H]([C@@H](C(=O)N)N)O HAA1166 [0,1,0,0,0,0|1,0,0]=2 52 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O HAA1131 [0,1,0,0,0,0|0,0,0]=1 53 B7R0.16 C[C@H]([C@H](C(=O)O)N)O HAA1187 [0,1,0,0,0,0|0,0,0]=1 54 B7R1.4 C1COC(=O)[C@@H]1N HAA1538 [0,0,0,1,0,0|1,0,0]=2 55 B7R1.4 C1COC(=O)[C@H]1N HAA1543 [0,0,0,1,0,0|1,0,0]=2 56 B7R1.4 C1[C@@H](C(=O)NO1)N HAA1519 [0,0,0,1,0,0|1,0,0]=2 57 B7R0.2 C([C@@H](CO)N)C(=O)O HAA8460 [0,0,0,0,0,1|0,0,0]=1 58 B7R0.2 C([C@H](CO)N)C(=O)O HAA8570 [0,0,0,0,0,1|0,0,0]=1 59 B7R0.2 C=CC(CC(=O)O)N HAA2510 [0,0,0,0,0,1|1,0,1]=3 60 B7R0.2 C=CC(CC(=O)O)N HAA2700 [0,0,0,0,0,1|1,0,1]=3 61 B7R0.2 CC(C)C[C@@H](CO)N FAL1011 [0,0,0,0,0,1|2,0,1]=4 62 B7R0.2 CC(C)C[C@H](CO)N FAL1005 [0,0,0,0,0,1|2,0,1]=4 63 B4R0.1 C(C(=O)N)N HAA6570 [2,0,0,0,0,0|1,0,0]=3 64 B4R0.1 CN(C)C=O SOL-004 [2,0,0,0,0,0|2,0,0]=4 65 B4R0.1 C[C@@H](CN)O FAL1033 [2,0,0,0,0,0|1,0,1]=4 66 B4R0.1 C[C@H](CO)N FAL1004 [2,0,0,0,0,0|0,0,1]=3 67 B4R0.2 COCCO S-30130 [2,0,0,0,0,0|2,0,0]=4 68 B4R0.2 COCCO S-30900 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.1 CNCC(=O)OC HAA7240 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.1 COC(=O)CCN HAA5560 [1,1,0,0,0,0|1,0,0]=3 71 B6R0.2 *[C@@H](C)CC(=O)* EZK9050 [1,1,0,0,0,0|2,0,0]=4 72 B6R0.2 C[C@@H](CC(=O)O)N HAA8470 [1,1,0,0,0,0|1,0,0]=3 73 B6R0.2 C[C@H](CC(=O)O)N HAA8430 [1,1,0,0,0,0|1,0,0]=3 74 B6R0.4 C(CC(=O)O)CN HAA1061 [1,1,0,0,0,0|1,0,0]=3 75 B6R0.7 C(=O)(C(F)(F)F)O SOL-011 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.7 CC(C)(C(=O)O)N HAA1511 [1,1,0,0,0,0|0,0,0]=2 77 B8R0.2 CC[C@@H](C)[C@@H](C(=O)O)N HAA1515 [0,1,0,0,0,1|2,0,0]=4 78 B8R0.2 CC[C@@H](C)[C@H](C(=O)O)N HAA1029 [0,1,0,0,0,1|2,0,0]=4 79 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N HAA1093 [0,1,0,0,0,1|2,0,0]=4 80 B8R0.2 CC[C@H](C)[C@H](C(=O)O)N HAA1186 [0,1,0,0,0,1|2,0,0]=4 81 B8R0.5 C=CCC(CC(=O)O)N HAA2515 [0,1,0,0,0,1|1,0,0]=3 82 B8R0.5 C=CCC(CC(=O)O)N HAA2705 [0,1,0,0,0,1|1,0,0]=3 83 B8R0.5 C=CC[C@@H](CC(=O)O)N HAA8700 [0,1,0,0,0,1|1,0,0]=3 84 B8R0.5 C=CC[C@H](CC(=O)O)N HAA8690 [0,1,0,0,0,1|1,0,0]=3 85 B8R0.5 CCCC(CC(=O)O)N HAA2445 [0,1,0,0,0,1|1,0,0]=3 86 B8R0.5 CCCC(CC(=O)O)N HAA2635 [0,1,0,0,0,1|1,0,0]=3 87 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N HAA1070 [0,1,0,0,0,1|1,0,1]=4 88 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O HAA1073 [0,1,0,0,0,1|0,0,1]=3 89 B8R0.23 C([C@H](C(=O)O)N)C(=O)N HAA1010 [0,1,0,0,0,1|1,0,1]=4 90 B8R0.23 C([C@H](C(=O)O)N)C(=O)O HAA1013 [0,1,0,0,0,1|0,0,1]=3 91 B8R0.23 CC(C)C(CC(=O)O)N HAA2470 [0,1,0,0,0,1|1,0,0]=3 92 B8R0.23 CC(C)C(CC(=O)O)N HAA2660 [0,1,0,0,0,1|1,0,0]=3 93 B8R0.23 CC(C)[C@@H](CC(=O)O)N HAA8610 [0,1,0,0,0,1|1,0,0]=3 94 B8R0.23 CC(C)[C@H](CC(=O)O)N HAA8680 [0,1,0,0,0,1|1,0,0]=3 95 B8R0.23 C[C@@H]([C@H](CC(=O)O)N)O HAA8580 [0,1,0,0,0,1|0,0,0]=2 96 B8R0.34 CC(CC(=O)O)(C=C)N HAA2520 [0,1,0,0,0,1|1,0,1]=4 97 B8R0.34 CC(CC(=O)O)(C=C)N HAA2710 [0,1,0,0,0,1|1,0,1]=4 98 B8R0.34 CC(CC(=O)O)(CCl)N HAA2475 [0,1,0,0,0,1|1,0,0]=3 99 B8R0.34 CC(CC(=O)O)(CCl)N HAA2665 [0,1,0,0,0,1|1,0,0]=3 100 B8R0.8 C(C[C@@H](C(=O)O)N)C#N HAA5700 [0,2,0,0,0,0|1,0,0]=3 101 B8R0.8 C(C[C@@H](C(=O)O)N)CN HAA1115 [0,2,0,0,0,0|1,0,0]=3 102 B8R0.8 C(C[C@H](C(=O)O)N)CN HAA1041 [0,2,0,0,0,0|1,0,0]=3 103 B8R0.8 C([C@@H](C(=O)O)N)N=[N+]=[N-] HAA1880 [0,2,0,0,0,0|1,0,0]=3 104 B8R0.8 C([C@H](C(=O)O)N)N=[N+]=[N-] HAA1885 [0,2,0,0,0,0|1,0,0]=3 105 B8R0.8 CCCC[C@@H](C(=O)O)N HAA1113 [0,2,0,0,0,0|1,0,0]=3 106 B8R0.8 CCCC[C@H](C(=O)O)N HAA1039 [0,2,0,0,0,0|1,0,0]=3 107 B8R0.8 CSCC[C@@H](C(=O)N)N HAA6930 [0,2,0,0,0,0|1,1,0]=4 108 B8R0.8 CSCC[C@@H](C(=O)O)N HAA1109 [0,2,0,0,0,0|0,1,0]=3 109 B8R0.8 CSCC[C@H](C(=O)O)N HAA1037 [0,2,0,0,0,0|0,1,0]=3 110 B8R0.12 CCC[C@@](C)(C(=O)O)N HAA1635 [0,2,0,0,0,0|1,0,0]=3 111 B8R0.12 CCC[C@](C)(C(=O)O)N HAA1558 [0,2,0,0,0,0|1,0,0]=3 112 B8R0.12 C[C@@](CC#C)(C(=O)O)N HAA5500 [0,2,0,0,0,0|1,0,0]=3 113 B8R0.12 C[C@@](CC=C)(C(=O)O)N HAA5240 [0,2,0,0,0,0|1,0,0]=3 114 B8R0.12 C[C@](CC#C)(C(=O)O)N HAA5510 [0,2,0,0,0,0|1,0,0]=3 115 B8R0.12 C[C@](CC=C)(C(=O)O)N HAA5250 [0,2,0,0,0,0|1,0,0]=3 116 B8R0.37 CC(C)[C@@](C)(C(=O)O)N HAA1549 [0,2,0,0,0,0|1,0,0]=3 117 B8R0.37 CC(C)[C@](C)(C(=O)O)N HAA5380 [0,2,0,0,0,0|1,0,0]=3 118 B8R0.27 CC(C)(C)[C@@H](C(=O)O)N HAA1134 [0,2,0,0,0,0|1,0,0]=3 119 B8R0.27 CC(C)(C)[C@H](C(=O)O)N HAA1514 [0,2,0,0,0,0|1,0,0]=3 120 B8R0.27 CC(C)([C@@H](C(=O)O)N)O HAA1640 [0,2,0,0,0,0|0,0,0]=2 121 B8R0.27 CC(C)([C@H](C(=O)O)N)O HAA1645 [0,2,0,0,0,0|0,0,0]=2 122 B8R0.18 CC(C)[C@@H](C(=O)O)NC HAA1222 [0,2,0,0,0,0|1,0,0]=3 123 B8R1.7 C1C=C[C@H](N1)C(=O)O HAA6180 [0,1,0,1,0,0|1,0,1]=4 124 B8R1.7 C1C[C@@H](NC1)C(=O)N HAA1047 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.7 C1C[C@@H](NC1)C(=O)O HAA1048 [0,1,0,1,0,0|1,0,0]=3 126 B8R1.7 C1C[C@H](NC1)C(=O)N HAA7160 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.7 C1C[C@H](NC1)C(=O)O HAA1126 [0,1,0,1,0,0|1,0,0]=3 128 B8R1.7 C1[C@H](NCS1)C(=O)O HAA1132 [0,1,0,1,0,0|0,1,0]=3 129 B8R1.78 C1CC(C1)(C(=O)O)N HAA5170 [0,1,0,1,0,0|1,0,0]=3