0 B11R0.32 CC(=O)NC(CC(=O)N)C(=O)C 1458a_200000195199_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B11R0.32 CC(=O)NC(CC(=O)N)C(=O)[13CH3] 1458a_200000195199_200025704644 [0,0,0,0,0,0|3,0,1]=4 2 B11R0.32 CC(=O)N[C@@H](CC(=O)N)C(=O)N 11a_100000143228_100015343762 [0,0,0,0,0,0|3,0,1]=4 3 B11R0.32 CC(=O)N[C@@H](CC(=O)N)C(=O)N 1626a_100000143228_100015343762 [0,0,0,0,0,0|3,0,1]=4 4 B11R0.32 CC(=O)N[C@@H](CC(=O)N)C(=O)N 240690a_100000143228_100015343762 [0,0,0,0,0,0|3,0,1]=4 5 B11R0.32 CC(=O)N[C@@H](CC(=O)N)C(=O)N 527a_100000143228_100103153847 [0,0,0,0,0,0|3,0,1]=4 6 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)C 1458a_100000699969_200000210301 [0,0,0,0,0,0|1,0,0]=1 7 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N 11a_100016989234_100015343762 [0,0,0,0,0,0|1,0,0]=1 8 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N 1626a_100016989234_100015343762 [0,0,0,0,0,0|1,0,0]=1 9 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N 240690a_100016989234_100015343762 [0,0,0,0,0,0|1,0,0]=1 10 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N 527a_100016989234_100103153847 [0,0,0,0,0,0|1,0,0]=1 11 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)[13CH3] 1458a_100000699969_200025704644 [0,0,0,0,0,0|1,0,0]=1 12 B11R0.32 CC(C)C[C@H](NC(C)C)C(=O)N 2230a_100016989234_100000210206 [0,0,0,0,0,0|2,0,1]=3 13 B11R0.32 CC(C)C[C@H](NC(C)C)C(=O)N 34a_100016989234_100000210206 [0,0,0,0,0,0|2,0,1]=3 14 B11R0.32 CC(C)N[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_100000210206 [0,0,0,0,0,0|4,0,0]=4 15 B11R0.32 CC(C)N[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210206 [0,0,0,0,0,0|3,0,0]=3 16 B10R0.23 C=CCC(NC(=O)C)C(=O)C 1458a_100000741017_200000210301 [1,0,0,0,0,0|1,0,2]=4 17 B10R0.23 C=CCC(NC(=O)C)C(=O)[13CH3] 1458a_100000741017_200025704644 [1,0,0,0,0,0|1,0,2]=4 18 B10R0.23 CC(C)C[C@H](NCF)C(=O)N 34a_100016989234_100015361967 [1,0,0,0,0,0|2,0,1]=4 19 B10R0.23 CCC[C@H](NC(=O)C)C(=O)C 1458a_100011995990_200000210301 [1,0,0,0,0,0|1,0,0]=2 20 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 11a_100000729256_100015343762 [1,0,0,0,0,0|1,0,0]=2 21 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 1626a_100000729256_100015343762 [1,0,0,0,0,0|1,0,0]=2 22 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 240690a_100000729256_100015343762 [1,0,0,0,0,0|1,0,0]=2 23 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 527a_100000729256_100103153847 [1,0,0,0,0,0|1,0,0]=2 24 B10R0.23 CCC[C@H](NC(=O)C)C(=O)[13CH3] 1458a_100011995990_200025704644 [1,0,0,0,0,0|1,0,0]=2 25 B10R0.23 CCC[C@H](NC(C)C)C(=O)N 2230a_100000729256_100000210206 [1,0,0,0,0,0|2,0,1]=4 26 B10R0.23 CCC[C@H](NC(C)C)C(=O)N 34a_100000729256_100000210206 [1,0,0,0,0,0|2,0,1]=4 27 B10R0.23 CCC[C@H](NC(C)C)C(=O)O 269956a_100000750406_100000210206 [1,0,0,0,0,0|1,0,1]=3 28 B10R0.23 CCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210202 [1,0,0,0,0,0|1,0,1]=3 29 B10R0.23 CCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000210202 [1,0,0,0,0,0|1,0,1]=3 30 B10R0.23 CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210202 [1,0,0,0,0,0|2,0,1]=4 31 B10R0.23 COCC(NC(=O)C)C(=O)C 1458a_200012277492_200000210301 [1,0,0,0,0,0|2,0,0]=3 32 B10R0.23 COCC(NC(=O)C)C(=O)[13CH3] 1458a_200012277492_200025704644 [1,0,0,0,0,0|2,0,0]=3 33 B10R0.23 COC[C@@H](NC(C)C)C(=O)O 269956a_100011998655_100000210206 [1,0,0,0,0,0|2,0,1]=4 34 B10R0.23 CSC[C@H](NC(C)C)C(=O)O 269956a_100011421858_100000210206 [1,0,0,0,0,0|2,0,1]=4 35 B10R0.23 C[Se]C[C@H](NC(C)C)C(=O)O 269956a_100015254316_100000210206 [1,0,0,0,0,0|2,0,1]=4 36 B10R0.70 CC(=O)NC(C#N)CC(C)C 11a_100000741378_100015343762 [1,0,0,0,0,0|1,0,1]=3 37 B10R0.70 CC(=O)NC(C#N)CC(C)C 1626a_100000741378_100015343762 [1,0,0,0,0,0|1,0,1]=3 38 B10R0.70 CC(=O)NC(C#N)CC(C)C 240690a_100000741378_100015343762 [1,0,0,0,0,0|1,0,1]=3 39 B10R0.70 CC(=O)NC(C#N)CC(C)C 527a_100000741378_100103153847 [1,0,0,0,0,0|1,0,1]=3 40 B10R0.70 CC(=O)N[C@H](CO)CC(C)C 240690a_100011830311_100015343762 [1,0,0,0,0,0|0,0,1]=2 41 B10R0.70 CC(=O)N[C@H](CO)CC(C)C 527a_100011830311_100103153847 [1,0,0,0,0,0|0,0,1]=2 42 B10R0.70 CC(C)C[C@@H](CO)NC(C)C 2230a_100011830311_100000210206 [1,0,0,0,0,0|1,0,2]=4 43 B10R0.70 CC(C)C[C@@H](CO)NC(C)C 34a_100011830311_100000210206 [1,0,0,0,0,0|1,0,2]=4 44 B12R0.43 CC(=O)N[C@H](C(=O)C(C)C)[C@@H](C)O 1458a_100012017110_100000210206 [0,1,0,0,0,0|1,0,2]=4 45 B12R0.151 C#CC(C)N[C@@H](CC(C)C)C(=O)N 34a_100016989234_200000035995 [0,1,0,0,0,0|2,0,1]=4 46 B12R0.151 C=CC(=O)N[C@@H](CC(C)C)C(=O)N 1626a_100016989234_100000185746 [0,1,0,0,0,0|1,0,1]=3 47 B12R0.151 C=CC(=O)N[C@@H](CC(C)C)C(=O)N 240690a_100016989234_200121576911 [0,1,0,0,0,0|1,0,1]=3 48 B12R0.151 CC(C)C[C@H](NC(=O)CO)C(=O)N 240690a_100016989234_100000210174 [0,1,0,0,0,0|1,0,0]=2 49 B12R0.151 CC(C)C[C@H](NC(=O)CO)C(=O)N 527a_100016989234_100000210174 [0,1,0,0,0,0|1,0,0]=2 50 B12R0.151 CC(C)C[C@H](NC(C)C#N)C(=O)N 2230a_100016989234_100000184139 [0,1,0,0,0,0|2,0,1]=4 51 B12R0.151 CC(C)C[C@H](NC(C)CO)C(=O)N 2230a_100016989234_100012180447 [0,1,0,0,0,0|1,0,2]=4 52 B12R0.151 CC(C)C[C@H](NC(C)CO)C(=O)N 34a_100016989234_100012180447 [0,1,0,0,0,0|1,0,2]=4 53 B12R0.151 CCC(=O)N[C@@H](CC(C)C)C(=O)N 11a_100016989234_100000210414 [0,1,0,0,0,0|1,0,0]=2 54 B12R0.151 CCC(=O)N[C@@H](CC(C)C)C(=O)N 1626a_100016989234_100000210414 [0,1,0,0,0,0|1,0,0]=2 55 B12R0.151 CCC(=O)N[C@@H](CC(C)C)C(=O)N 240690a_100016989234_100000210414 [0,1,0,0,0,0|1,0,0]=2 56 B12R0.151 CCC(=O)N[C@@H](CC(C)C)C(=O)N 527a_100016989234_100000210414 [0,1,0,0,0,0|1,0,0]=2 57 B12R0.151 CCC(C)N[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000758301 [0,1,0,0,0,0|2,0,1]=4 58 B12R0.151 CCC(C)N[C@@H](CC(C)C)C(=O)N 34a_100016989234_100011215416 [0,1,0,0,0,0|2,0,1]=4 59 B12R0.151 CCC(C)N[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000758301 [0,1,0,0,0,0|3,0,0]=4 60 B12R0.151 CNC(=O)N[C@@H](CC(C)C)C(=O)N 273464a_100016989234_100102657272 [0,1,0,0,0,0|1,0,0]=2 61 B12R0.151 CNC(=O)N[C@@H](CC(C)C)C(=O)N 273464a_100102657272_100016989234 [0,1,0,0,0,0|1,0,0]=2 62 B12R0.151 CNC(=O)N[C@@H](CC(C)C)C(=O)N 512a_100016989234_100102657272 [0,1,0,0,0,0|1,0,0]=2 63 B12R0.151 COC(=O)C[C@H](NC(=O)C)C(=O)C 1458a_100000766955_200000210301 [0,1,0,0,0,0|2,0,1]=4 64 B12R0.151 COC(=O)C[C@H](NC(=O)C)C(=O)[13CH3] 1458a_100000766955_200025704644 [0,1,0,0,0,0|2,0,1]=4 65 B12R0.151 COC(=O)NC(CC(C)C)C(=O)C 1458a_100000745475_200000210301 [0,1,0,0,0,0|1,0,0]=2 66 B12R0.151 COC(=O)NC(CC(C)C)C(=O)[13CH3] 1458a_100000745475_200025704644 [0,1,0,0,0,0|1,0,0]=2 67 B12R0.151 COC(C)N[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100009879195 [0,1,0,0,0,0|3,0,0]=4 68 B12R0.151 C[C@H](CO)N[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100016084084 [0,1,0,0,0,0|3,0,0]=4 69 B12R0.180 C=C(C)CC(NC(=O)C)C(=O)OC 188690a_103436540025_100015343762 [0,1,0,0,0,0|0,0,2]=3 70 B12R0.180 CC(=O)N[C@@H](CC(C)C)C(=O)CF 1458a_100000699969_100015361967 [0,1,0,0,0,0|1,0,0]=2 71 B12R0.180 CCC(=O)[C@H](CC(C)C)NC(=O)C 1458a_100000699969_100000210202 [0,1,0,0,0,0|1,0,0]=2 72 B12R0.180 CNC(=O)[C@H](CC(C)C)NC(=O)C 11a_106832991635_100000699969 [0,1,0,0,0,0|1,0,0]=2 73 B12R0.180 CNC(=O)[C@H](CC(C)C)NC(=O)C 1626a_100102657272_100000699969 [0,1,0,0,0,0|1,0,0]=2 74 B12R0.180 CNC(=O)[C@H](CC(C)C)NC(=O)C 240690a_100102657272_100000699969 [0,1,0,0,0,0|1,0,0]=2 75 B12R0.180 CNC(=O)[C@H](CC(C)C)NC(=O)C 527a_100102657272_100000699969 [0,1,0,0,0,0|1,0,0]=2 76 B12R0.180 COC(=O)C(CN(C)C)NC(=O)C 269982a_100102631434_100000763271 [0,1,0,0,0,0|1,0,0]=2 77 B12R0.180 COC(=O)[C@@H](CC(C)C)NC(=O)C 188690a_100000005450_100015343762 [0,1,0,0,0,0|0,0,0]=1 78 B12R0.180 COC(=O)[C@@H](CC(C)C)OC(C)C 34a_100014169393_100000210206 [0,1,0,0,0,0|2,0,1]=4 79 B12R0.180 COC(=O)[C@@H](CC(C)C)OC(C)C 7a_100014169393_100000210206 [0,1,0,0,0,0|2,0,1]=4 80 B12R0.393 CC(=O)NC(CC(F)(F)F)C(=O)C 1458a_200012008886_200000210301 [0,1,0,0,0,0|3,0,0]=4 81 B12R0.393 CC(=O)NC(CC(F)(F)F)C(=O)[13CH3] 1458a_200012008886_200025704644 [0,1,0,0,0,0|3,0,0]=4 82 B12R0.393 CC(=O)N[C@@H](CC(C)(C)C)C(=O)C 1458a_200009826755_200000210301 [0,1,0,0,0,0|1,0,0]=2 83 B12R0.393 CC(=O)N[C@@H](CC(C)(C)C)C(=O)[13CH3] 1458a_200009826755_200025704644 [0,1,0,0,0,0|1,0,0]=2 84 B12R0.393 CC(C)C[C@H](NC(C)(C)C)C(=O)N 34a_100016989234_100000210625 [0,1,0,0,0,0|2,0,1]=4 85 B12R0.393 CC(C)C[C@H](NS(=O)(=O)C)C(=O)N 40a_100016989234_100000738038 [0,1,0,0,0,0|2,0,0]=3 86 B12R0.393 CC(C)NC(CC(C)(C)C)C(=O)O 269956a_100000691758_100000210206 [0,1,0,0,0,0|1,0,1]=3 87 B12R0.393 CC(C)N[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_100000210206 [0,1,0,0,0,0|1,0,1]=3 88 B12R0.393 CS(=O)C[C@H](NC(C)(C)C)C(=O)O 269956a_100009817418_100000211941 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.844 CC(=O)C[C@H]1OC(OC1=O)(C)C 1458a_100016176030_200000210301 [0,0,0,1,0,0|2,0,0]=3 90 B12R1.844 CC1(OC(=O)[C@H](O1)CC(=O)[13CH3])C 1458a_100016176030_200025704644 [0,0,0,1,0,0|2,0,0]=3 91 B12R1.850 CC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 240690a_100020587027_100015343762 [0,0,0,1,0,0|2,0,0]=3 92 B12R1.850 CC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 527a_100020587027_100103153847 [0,0,0,1,0,0|2,0,0]=3 93 B12R1.850 CC(=O)N1C[C@@H](C[C@H]1C(=O)[13CH3])O 1458a_100011830302_200025704644 [0,0,0,1,0,0|2,0,0]=3 94 B12R1.850 CC(=O)N1C[C@H](C[C@H]1C(=O)N)F 11a_100020614896_100015343762 [0,0,0,1,0,0|2,0,0]=3 95 B12R1.850 CC(=O)N1C[C@H](C[C@H]1C(=O)N)F 1626a_100020614896_100015343762 [0,0,0,1,0,0|2,0,0]=3 96 B12R1.850 CC(=O)N1C[C@H](C[C@H]1C(=O)N)F 240690a_100020614896_100015343762 [0,0,0,1,0,0|2,0,0]=3 97 B12R1.850 CC(=O)N1C[C@H](C[C@H]1C(=O)N)F 527a_100020614896_100103153847 [0,0,0,1,0,0|2,0,0]=3 98 B12R1.850 CC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 1458a_100011830302_200000210301 [0,0,0,1,0,0|2,0,0]=3 99 B12R1.850 CC(C)N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210206 [0,0,0,1,0,0|2,0,1]=4 100 B12R1.850 CC(C)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210206 [0,0,0,1,0,0|2,0,1]=4 101 B12R1.3579 CC(C)C[C@H](NC1CC1)C(=O)N 34a_100016989234_100000211595 [0,0,0,1,0,0|2,0,1]=4 102 B12R1.3579 CS(=O)C[C@H](NC1CC1)C(=O)O 269956a_100009817418_100000211595 [0,0,0,1,0,0|3,0,0]=4 103 B10R0.162 CC(=O)C(SC(C)C)C(=O)C 62a_100000210206_100000210371 [0,0,0,0,1,0|2,0,0]=3 104 B10R0.162 CC(=O)C(SC(C)C)C(=O)C 62a_100000210371_100000210206 [0,0,0,0,1,0|2,0,0]=3 105 B10R0.162 CC(=O)NC(C(C)C)C(C)C 11a_100000690608_100015343762 [0,0,0,0,1,0|2,0,1]=4 106 B10R0.162 CC(=O)NC(C(C)C)C(C)C 1626a_100000690608_100015343762 [0,0,0,0,1,0|2,0,1]=4 107 B10R0.162 CC(=O)NC(C(C)C)C(C)C 240690a_100000690608_100015343762 [0,0,0,0,1,0|2,0,1]=4 108 B10R0.162 CC(=O)NC(C(C)C)C(C)C 527a_100000690608_100103153847 [0,0,0,0,1,0|2,0,1]=4 109 B10R0.162 CC(=O)N[C@H](C(=O)C)C(C)C 1458a_100011416799_200000210301 [0,0,0,0,1,0|1,0,0]=2 110 B10R0.162 CC(=O)N[C@H](C(=O)C)[C@@H](C)O 1458a_100012017110_200000210301 [0,0,0,0,1,0|2,0,0]=3 111 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 11a_100000119348_100015343762 [0,0,0,0,1,0|1,0,0]=2 112 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 1626a_100000119348_100015343762 [0,0,0,0,1,0|1,0,0]=2 113 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 240690a_100000119348_100015343762 [0,0,0,0,1,0|1,0,0]=2 114 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 527a_100000119348_100103153847 [0,0,0,0,1,0|1,0,0]=2 115 B10R0.162 CC(=O)N[C@H](C(=O)N)[C@@H](C)O 11a_100000003557_100015343762 [0,0,0,0,1,0|2,0,0]=3 116 B10R0.162 CC(=O)N[C@H](C(=O)N)[C@@H](C)O 240690a_100000003557_100015343762 [0,0,0,0,1,0|2,0,0]=3 117 B10R0.162 CC(=O)N[C@H](C(=O)N)[C@@H](C)O 527a_100000003557_100103153847 [0,0,0,0,1,0|2,0,0]=3 118 B10R0.162 CC(=O)N[C@H](C(=O)[13CH3])C(C)C 1458a_100011416799_200025704644 [0,0,0,0,1,0|1,0,0]=2 119 B10R0.162 CC(=O)N[C@H](C(=O)[13CH3])[C@@H](C)O 1458a_100012017110_200025704644 [0,0,0,0,1,0|2,0,0]=3 120 B10R0.162 CC(=O)O[C@@H](C(=O)C)C(C)C 1458a_100016231877_200000210301 [0,0,0,0,1,0|2,0,0]=3 121 B10R0.162 CC(=O)O[C@@H](C(=O)[13CH3])C(C)C 1458a_100016231877_200025704644 [0,0,0,0,1,0|2,0,0]=3 122 B10R0.162 CC(C)NC(C(=O)N)C(=O)N 2230a_100000025885_100000210206 [0,0,0,0,1,0|3,0,0]=4 123 B10R0.162 CC(C)NC(C(=O)N)C(C)C 34a_100138425928_100000230017 [0,0,0,0,1,0|2,0,1]=4 124 B10R0.162 CC(C)NC(C(=O)O)C(C)O 269956a_100000185852_100000210206 [0,0,0,0,1,0|1,0,2]=4 125 B10R0.162 CC(C)N[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210206 [0,0,0,0,1,0|1,0,1]=3 126 B12R0.41 CC(=O)CC(CC(=O)N)CC(C)C 1458a_100000088906_200000210301 [0,0,0,0,0,1|2,0,0]=3 127 B12R0.41 CC(=O)NC(CC(C)C)CC(C)C 11a_100000751966_100015343762 [0,0,0,0,0,1|2,0,1]=4 128 B12R0.41 CC(=O)NC(CC(C)C)CC(C)C 1626a_100000751966_100015343762 [0,0,0,0,0,1|2,0,1]=4 129 B12R0.41 CC(=O)NC(CC(C)C)CC(C)C 240690a_100000751966_100015343762 [0,0,0,0,0,1|2,0,1]=4 130 B12R0.41 CC(=O)NC(CC(C)C)CC(C)C 527a_100000751966_100103153847 [0,0,0,0,0,1|2,0,1]=4 131 B12R0.41 CC(C)CC(CC(=O)[13CH3])CC(=O)N 1458a_100000088906_200025704644 [0,0,0,0,0,1|2,0,0]=3 132 B12R0.138 C=C(C)CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000748629 [0,0,0,0,0,1|2,0,0]=3 133 B12R0.138 C=C(C)CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000748629 [0,0,0,0,0,1|2,0,0]=3 134 B12R0.138 C=C(C)CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000748629 [0,0,0,0,0,1|3,0,0]=4 135 B12R0.138 C=C(F)CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100009893438 [0,0,0,0,0,1|2,0,1]=4 136 B12R0.138 C=C(F)CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100009893438 [0,0,0,0,0,1|2,0,1]=4 137 B12R0.138 CC(=CCC(NC(C)C)C(=O)O)C 269956a_100102631519_100000210206 [0,0,0,0,0,1|1,0,2]=4 138 B12R0.138 CC(=O)N[C@@H](CCS(=O)C)C(=O)C 1458a_200020641884_200000210301 [0,0,0,0,0,1|3,0,0]=4 139 B12R0.138 CC(=O)N[C@@H](CCS(=O)C)C(=O)[13CH3] 1458a_200020641884_200025704644 [0,0,0,0,0,1|3,0,0]=4 140 B12R0.138 CC(=O)N[C@@H](CSC(=O)C)C(=O)C 1458a_200015188492_200000210301 [0,0,0,0,0,1|2,0,1]=4 141 B12R0.138 CC(=O)N[C@@H](CSC(=O)C)C(=O)[13CH3] 1458a_200015188492_200025704644 [0,0,0,0,0,1|2,0,1]=4 142 B12R0.138 CC(C)CN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_100000210760 [0,0,0,0,0,1|3,0,0]=4 143 B12R0.138 CC(C)CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210760 [0,0,0,0,0,1|2,0,1]=4 144 B12R0.138 CC(C)CN[C@@H](CC(C)C)C(=O)N 270004a_100016989234_100000210432 [0,0,0,0,0,1|2,0,1]=4 145 B12R0.138 CC(C)CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000210624 [0,0,0,0,0,1|2,0,1]=4 146 B12R0.138 CC(C)CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210760 [0,0,0,0,0,1|2,0,0]=3 147 B12R0.138 CC(C)C[C@H](NCC(=O)N)C(=O)N 2230a_100016989234_100000747473 [0,0,0,0,0,1|2,0,0]=3 148 B12R0.138 CC(C)C[C@H](NCC(=O)N)C(=O)N 34a_100016989234_100000187820 [0,0,0,0,0,1|2,0,0]=3 149 B12R0.138 CC(C)C[C@H](NCC(=O)[O-])C(=O)N 34a_100016989234_100020667443 [0,0,0,0,0,1|2,0,0]=3 150 B12R0.138 CC(C)C[C@H](NCC(C)O)C(=O)N 2230a_100016989234_100011218427 [0,0,0,0,0,1|1,0,2]=4 151 B12R0.138 CC(C)C[C@H](NCC(C)O)C(=O)N 34a_100016989234_100011218427 [0,0,0,0,0,1|1,0,2]=4 152 B12R0.138 CC(C)C[C@H](NC[C@@H](C)O)C(=O)N 2230a_100016989234_100009817552 [0,0,0,0,0,1|1,0,2]=4 153 B12R0.138 CC(C)C[C@H](NC[C@@H](C)O)C(=O)N 34a_100016989234_100009817552 [0,0,0,0,0,1|1,0,2]=4 154 B12R0.138 CC(C)C[C@H](NC[N+](=O)[O-])C(=O)N 34a_100016989234_100000761209 [0,0,0,0,0,1|3,0,0]=4 155 B12R0.138 CC(C)NC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000210206 [0,0,0,0,0,1|2,0,1]=4 156 B12R0.138 CC(C)N[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210206 [0,0,0,0,0,1|3,0,0]=4 157 B12R0.138 CC(O)CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100011218427 [0,0,0,0,0,1|3,0,0]=4 158 B12R0.138 CS(=O)C[C@H](NCC(=O)N)C(=O)O 269956a_100009817418_100000187820 [0,0,0,0,0,1|3,0,0]=4 159 B12R0.138 CS(=O)C[C@H](NCC(=O)[O-])C(=O)O 269956a_100009817418_100020667443 [0,0,0,0,0,1|3,0,0]=4 160 B12R0.138 C[C@@H](O)CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100009817552 [0,0,0,0,0,1|3,0,0]=4 161 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [2,0,0,0,0,0|1,0,1]=4 162 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [2,0,0,0,0,0|1,0,1]=4 163 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [2,0,0,0,0,0|1,0,1]=4 164 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [2,0,0,0,0,0|1,0,1]=4 165 B9R0.14 CCC[C@@H](CO)NC(=O)C 240690a_100000732646_100015343762 [2,0,0,0,0,0|0,0,1]=3 166 B9R0.14 CCC[C@@H](CO)NC(=O)C 527a_100000732646_100103153847 [2,0,0,0,0,0|0,0,1]=3 167 B9R0.14 CCN[C@H](CO)CC(C)C 2230a_100011830311_100000210202 [2,0,0,0,0,0|0,0,2]=4 168 B9R0.14 CCN[C@H](CO)CC(C)C 34a_100011830311_100000210202 [2,0,0,0,0,0|0,0,2]=4 169 B9R0.14 COCC(CO)NC(=O)C 240690a_100000724102_100015343762 [2,0,0,0,0,0|1,0,1]=4 170 B9R0.14 COCC(CO)NC(=O)C 527a_100000724102_100103153847 [2,0,0,0,0,0|1,0,1]=4 171 B9R0.15 CCC[C@H](NCC)C(=O)N 2230a_100000729256_100000210202 [2,0,0,0,0,0|1,0,1]=4 172 B9R0.15 CCC[C@H](NCC)C(=O)N 34a_100000729256_100000210202 [2,0,0,0,0,0|1,0,1]=4 173 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [2,0,0,0,0,0|0,0,1]=3 174 B9R0.15 CCC[C@H](NCF)C(=O)O 269956a_100000750406_100015361967 [2,0,0,0,0,0|1,0,1]=4 175 B9R0.15 CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210202 [2,0,0,0,0,0|1,0,1]=4 176 B9R0.15 CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210202 [2,0,0,0,0,0|1,0,1]=4 177 B9R0.15 CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210202 [2,0,0,0,0,0|1,0,1]=4 178 B9R0.39 C=C[C@H](NC(C)C)C(=O)O 269956a_100016992060_100000210206 [2,0,0,0,0,0|1,0,1]=4 179 B9R0.39 CC(=O)NC(CO)C(=O)C 1458a_200011194110_200000210301 [2,0,0,0,0,0|2,0,0]=4 180 B9R0.39 CC(=O)NC(CO)C(=O)[13CH3] 1458a_200011194110_200025704644 [2,0,0,0,0,0|2,0,0]=4 181 B9R0.39 CC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100015343762 [2,0,0,0,0,0|2,0,0]=4 182 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 2230a_100016989234_200025704644 [2,0,0,0,0,0|1,0,0]=3 183 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 34a_100016989234_200025704644 [2,0,0,0,0,0|1,0,0]=3 184 B9R0.39 CCC(NC(=O)C)C(=O)C 1458a_100000195128_200000210301 [2,0,0,0,0,0|1,0,0]=3 185 B9R0.39 CCC(NC(=O)C)C(=O)N 11a_100000733705_100015343762 [2,0,0,0,0,0|1,0,0]=3 186 B9R0.39 CCC(NC(=O)C)C(=O)N 1626a_100000733705_100015343762 [2,0,0,0,0,0|1,0,0]=3 187 B9R0.39 CCC(NC(=O)C)C(=O)N 240690a_100000733705_100015343762 [2,0,0,0,0,0|1,0,0]=3 188 B9R0.39 CCC(NC(=O)C)C(=O)N 527a_100000733705_100103153847 [2,0,0,0,0,0|1,0,0]=3 189 B9R0.39 CCC(NC(=O)C)C(=O)[13CH3] 1458a_100000195128_200025704644 [2,0,0,0,0,0|1,0,0]=3 190 B9R0.39 CCC(NC(=O)N)C(=O)C 1458a_100000203762_200000210301 [2,0,0,0,0,0|2,0,0]=4 191 B9R0.39 CCC(NC(=O)N)C(=O)[13CH3] 1458a_100000203762_200025704644 [2,0,0,0,0,0|2,0,0]=4 192 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [2,0,0,0,0,0|1,0,1]=4 193 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 11a_100161114882_100015343762 [2,0,0,0,0,0|1,0,1]=4 194 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 1626a_100161114882_100015343762 [2,0,0,0,0,0|1,0,1]=4 195 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 240690a_100161114882_100015343762 [2,0,0,0,0,0|1,0,1]=4 196 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 527a_100161114882_100103153847 [2,0,0,0,0,0|1,0,1]=4 197 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_200000210301 [2,0,0,0,0,0|1,0,0]=3 198 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_200000210301 [2,0,0,0,0,0|1,0,0]=3 199 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [2,0,0,0,0,0|2,0,0]=4 200 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [2,0,0,0,0,0|2,0,0]=4 201 B9R0.53 CC(=O)NC(=O)CN(C)C 269982a_100102631434_100000183797 [2,0,0,0,0,0|1,0,1]=4 202 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [2,0,0,0,0,0|0,0,1]=3 203 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [2,0,0,0,0,0|0,0,1]=3 204 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [2,0,0,0,0,0|0,0,1]=3 205 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [2,0,0,0,0,0|0,0,1]=3 206 B9R0.53 CC(=O)NC(C)CN(C)C 11a_100016992788_100015343762 [2,0,0,0,0,0|1,0,1]=4 207 B9R0.53 CC(=O)NC(C)CN(C)C 240690a_100016992788_100015343762 [2,0,0,0,0,0|1,0,1]=4 208 B9R0.53 CC(=O)NC(C)CN(C)C 527a_100016992788_100103153847 [2,0,0,0,0,0|1,0,1]=4 209 B11R0.16 CC(C)(C)CC(NCF)C(=O)O 269956a_100000691758_100015361967 [1,1,0,0,0,0|1,0,1]=4 210 B11R0.16 CC(C)(F)C[C@H](NCF)C(=O)O 269956a_100016039316_100015361967 [1,1,0,0,0,0|1,0,1]=4 211 B11R0.16 CCC[C@H](NC(C)(C)C)C(=O)O 269956a_100000750406_100000211941 [1,1,0,0,0,0|1,0,1]=4 212 B11R0.16 CCC[C@H](NS(=O)(=O)C)C(=O)N 40a_100000729256_100000738038 [1,1,0,0,0,0|2,0,0]=4 213 B11R0.16 CCNC(CC(C)(C)C)C(=O)O 269956a_100000691758_100000210202 [1,1,0,0,0,0|0,0,1]=3 214 B11R0.16 CCN[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_100000210202 [1,1,0,0,0,0|0,0,1]=3 215 B11R0.39 C#CC[C@H](NC(=O)C)C(=O)OC 188690a_100020627700_100015343762 [1,1,0,0,0,0|0,0,2]=4 216 B11R0.39 C=CC[C@@H](NC(=O)C)C(=O)OC 188690a_100020629983_100015343762 [1,1,0,0,0,0|0,0,2]=4 217 B11R0.39 CCC(=O)C(COC)NC(=O)C 1458a_200012277492_100000210202 [1,1,0,0,0,0|2,0,0]=4 218 B11R0.39 CCCC(NC(=O)C)C(=O)NC 11a_106256046333_100015343762 [1,1,0,0,0,0|1,0,0]=3 219 B11R0.39 CCCC(NC(=O)C)C(=O)NC 1626a_106256046333_100015343762 [1,1,0,0,0,0|1,0,0]=3 220 B11R0.39 CCCC(NC(=O)C)C(=O)NC 240690a_106256046333_100015343762 [1,1,0,0,0,0|1,0,0]=3 221 B11R0.39 CCCC(NC(=O)C)C(=O)NC 527a_106256046333_100103153847 [1,1,0,0,0,0|1,0,0]=3 222 B11R0.39 CCCC(NC(=O)C)C(=O)OC 188690a_100000696665_100015343762 [1,1,0,0,0,0|0,0,0]=2 223 B11R0.39 CCCC(NC(C)C)C(=O)OC 2230a_100138425928_200009843822 [1,1,0,0,0,0|1,0,1]=4 224 B11R0.39 CCCC(NC(C)C)C(=O)OC 34a_100138425928_200009843822 [1,1,0,0,0,0|1,0,1]=4 225 B11R0.39 CCC[C@H](NC(=O)C)C(=O)CC 1458a_100011995990_100000210202 [1,1,0,0,0,0|1,0,0]=3 226 B11R0.39 CCC[C@H](NC(=O)C)C(=O)CF 1458a_100011995990_100015361967 [1,1,0,0,0,0|1,0,0]=3 227 B11R0.39 CCC[C@H](NC(=O)C)C(=O)NC 11a_106832991635_100011995990 [1,1,0,0,0,0|1,0,0]=3 228 B11R0.39 CCC[C@H](NC(=O)C)C(=O)NC 1626a_100102657272_100011995990 [1,1,0,0,0,0|1,0,0]=3 229 B11R0.39 CCC[C@H](NC(=O)C)C(=O)NC 240690a_100102657272_100011995990 [1,1,0,0,0,0|1,0,0]=3 230 B11R0.39 CCC[C@H](NC(=O)C)C(=O)NC 527a_100102657272_100011995990 [1,1,0,0,0,0|1,0,0]=3 231 B11R0.39 CCO[C@H](CC(C)C)C(=O)OC 34a_100014169393_100000210202 [1,1,0,0,0,0|1,0,1]=4 232 B11R0.39 CCO[C@H](CC(C)C)C(=O)OC 7a_100014169393_100000210202 [1,1,0,0,0,0|1,0,1]=4 233 B11R0.39 CNC(=O)C(COC)NC(=O)C 11a_106832991635_200012277492 [1,1,0,0,0,0|2,0,0]=4 234 B11R0.39 CNC(=O)C(COC)NC(=O)C 1626a_100102657272_200012277492 [1,1,0,0,0,0|2,0,0]=4 235 B11R0.39 CNC(=O)C(COC)NC(=O)C 240690a_100102657272_200012277492 [1,1,0,0,0,0|2,0,0]=4 236 B11R0.39 CNC(=O)C(COC)NC(=O)C 527a_100102657272_200012277492 [1,1,0,0,0,0|2,0,0]=4 237 B11R0.39 COC(=O)C(CSC)NC(=O)C 62a_100000763271_200000210301 [1,1,0,0,0,0|1,0,0]=3 238 B11R0.39 COC(=O)C(CSC)NC(=O)C 62a_200000210301_100000763271 [1,1,0,0,0,0|1,0,0]=3 239 B11R0.39 COC(=O)C(CS[13CH3])NC(=O)C 62a_100000763271_200025704644 [1,1,0,0,0,0|1,0,0]=3 240 B11R0.39 COC(=O)C(CS[13CH3])NC(=O)C 62a_200025704644_100000763271 [1,1,0,0,0,0|1,0,0]=3 241 B11R0.39 COC(=O)[C@H](CSC)NC(=O)C 188690a_100015184942_100015343762 [1,1,0,0,0,0|1,0,0]=3 242 B11R0.39 COCC(NC(=O)C)C(=O)CF 1458a_200012277492_100015361967 [1,1,0,0,0,0|2,0,0]=4 243 B11R0.39 COC[C@@H](NC(=O)C)C(=O)OC 188690a_100025726687_100015343762 [1,1,0,0,0,0|1,0,0]=3 244 B11R0.115 CC[C@H](C)[C@@H](NC(C)C)C(=O)O 269956a_100009815163_100000210206 [1,1,0,0,0,0|1,0,1]=4 245 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)C 1458a_100000729982_200000210301 [1,1,0,0,0,0|1,0,0]=3 246 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N 11a_100000758034_100015343762 [1,1,0,0,0,0|1,0,0]=3 247 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N 1626a_100000758034_100015343762 [1,1,0,0,0,0|1,0,0]=3 248 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N 240690a_100000758034_100015343762 [1,1,0,0,0,0|1,0,0]=3 249 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N 527a_100000758034_100103153847 [1,1,0,0,0,0|1,0,0]=3 250 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)[13CH3] 1458a_100000729982_200025704644 [1,1,0,0,0,0|1,0,0]=3 251 B11R0.160 C=CCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210623 [1,1,0,0,0,0|1,0,1]=4 252 B11R0.160 C=CCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100015514636 [1,1,0,0,0,0|1,0,1]=4 253 B11R0.160 CC(C)C[C@H](NCC=O)C(=O)N 2230a_100016989234_200015260668 [1,1,0,0,0,0|1,0,0]=3 254 B11R0.160 CC(C)C[C@H](NCC=O)C(=O)N 34a_100016989234_200009817547 [1,1,0,0,0,0|1,0,0]=3 255 B11R0.160 CC(C)C[C@H](NCCF)C(=O)N 2230a_100016989234_100011217306 [1,1,0,0,0,0|1,0,1]=4 256 B11R0.160 CC(C)C[C@H](NCCF)C(=O)N 34a_100016989234_100011217306 [1,1,0,0,0,0|1,0,1]=4 257 B11R0.160 CC(C)C[C@H](NCCO)C(=O)N 2230a_100016989234_100000211926 [1,1,0,0,0,0|1,0,1]=4 258 B11R0.160 CC(C)C[C@H](NCCO)C(=O)N 34a_100016989234_100000211926 [1,1,0,0,0,0|1,0,1]=4 259 B11R0.160 CCCCC(NC(=O)C)C(=O)C 1458a_100000194794_200000210301 [1,1,0,0,0,0|1,0,0]=3 260 B11R0.160 CCCCC(NC(=O)C)C(=O)[13CH3] 1458a_100000194794_200025704644 [1,1,0,0,0,0|1,0,0]=3 261 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 11a_100000124899_100015343762 [1,1,0,0,0,0|1,0,0]=3 262 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 1626a_100000124899_100015343762 [1,1,0,0,0,0|1,0,0]=3 263 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 240690a_100000124899_100015343762 [1,1,0,0,0,0|1,0,0]=3 264 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 527a_100000124899_100103153847 [1,1,0,0,0,0|1,0,0]=3 265 B11R0.160 CCCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210303 [1,1,0,0,0,0|1,0,1]=4 266 B11R0.160 CCCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000210303 [1,1,0,0,0,0|1,0,1]=4 267 B11R0.160 CCCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210207 [1,1,0,0,0,0|2,0,0]=4 268 B11R0.160 COCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000766300 [1,1,0,0,0,0|1,0,1]=4 269 B11R0.160 CS(=O)C[C@H](NCC=O)C(=O)O 269956a_100009817418_200015260668 [1,1,0,0,0,0|2,0,0]=4 270 B11R0.160 CSCCC(NC(=O)N)C(=O)C 1458a_100000182937_200000210301 [1,1,0,0,0,0|2,0,0]=4 271 B11R0.160 CSCCC(NC(=O)N)C(=O)[13CH3] 1458a_100000182937_200025704644 [1,1,0,0,0,0|2,0,0]=4 272 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)C 1458a_100011933958_200000210301 [1,1,0,0,0,0|1,0,0]=3 273 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)[13CH3] 1458a_100011933958_200025704644 [1,1,0,0,0,0|1,0,0]=3 274 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 11a_100000119342_100015343762 [1,1,0,0,0,0|1,0,0]=3 275 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 1626a_100000119342_100015343762 [1,1,0,0,0,0|1,0,0]=3 276 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 240690a_100000119342_100015343762 [1,1,0,0,0,0|1,0,0]=3 277 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 527a_100000119342_100103153847 [1,1,0,0,0,0|1,0,0]=3 278 B11R0.160 CSCC[C@H](NC(C)C)C(=O)O 269956a_100000743919_100000210206 [1,1,0,0,0,0|1,0,1]=4 279 B11R0.160 CSCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100011218213 [1,1,0,0,0,0|1,0,1]=4 280 B11R0.160 CSCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100011218213 [1,1,0,0,0,0|1,0,1]=4 281 B11R0.160 C[Se]CC[C@H](NC(C)C)C(=O)O 269956a_100020619752_100000210206 [1,1,0,0,0,0|1,0,1]=4 282 B11R0.236 C#CC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_200000035995 [1,1,0,0,0,0|1,0,1]=4 283 B11R0.236 C=CC(=O)N[C@@H](CCC)C(=O)N 1626a_100000729256_100000185746 [1,1,0,0,0,0|1,0,1]=4 284 B11R0.236 C=CC(=O)N[C@@H](CCC)C(=O)N 240690a_100000729256_200121576911 [1,1,0,0,0,0|1,0,1]=4 285 B11R0.236 C=CC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_100011215867 [1,1,0,0,0,0|1,0,1]=4 286 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 11a_100000729256_100000210414 [1,1,0,0,0,0|1,0,0]=3 287 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 1626a_100000729256_100000210414 [1,1,0,0,0,0|1,0,0]=3 288 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 240690a_100000729256_100000210414 [1,1,0,0,0,0|1,0,0]=3 289 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 527a_100000729256_100000210414 [1,1,0,0,0,0|1,0,0]=3 290 B11R0.236 CCC[C@H](NC(=O)CO)C(=O)N 240690a_100000729256_100000210174 [1,1,0,0,0,0|1,0,0]=3 291 B11R0.236 CCC[C@H](NC(=O)CO)C(=O)N 527a_100000729256_100000210174 [1,1,0,0,0,0|1,0,0]=3 292 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 2708a_100102657272_100000729256 [1,1,0,0,0,0|1,0,0]=3 293 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 273464a_100000729256_100102657272 [1,1,0,0,0,0|1,0,0]=3 294 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 273464a_100102657272_100000729256 [1,1,0,0,0,0|1,0,0]=3 295 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 512a_100000729256_100102657272 [1,1,0,0,0,0|1,0,0]=3 296 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 512a_106832991638_100000729256 [1,1,0,0,0,0|1,0,0]=3 297 B11R0.236 CCC[C@H](NC(C)C#N)C(=O)O 269956a_100000750406_100000184139 [1,1,0,0,0,0|1,0,1]=4 298 B11R0.236 CCC[C@H](NC(C)CC)C(=O)O 269956a_100000750406_100000758301 [1,1,0,0,0,0|1,0,1]=4 299 B11R0.236 CCC[C@H](NC(C)OC)C(=O)O 269956a_100000750406_100009879195 [1,1,0,0,0,0|0,0,2]=4 300 B11R0.236 CCC[C@H](N[C@H](C)CO)C(=O)O 269956a_100000750406_100016084084 [1,1,0,0,0,0|0,0,2]=4 301 B11R0.35 CC(=O)N[C@H](CCO)CC(C)C 1626a_100161151251_100015343762 [1,1,0,0,0,0|0,0,1]=3 302 B11R0.35 CC(=O)N[C@H](CCO)CC(C)C 240690a_100161151251_100015343762 [1,1,0,0,0,0|0,0,1]=3 303 B11R0.35 CC(=O)N[C@H](CCO)CC(C)C 527a_100161151251_100103153847 [1,1,0,0,0,0|0,0,1]=3 304 B11R0.91 C=CC(=O)N[C@H](CO)CC(C)C 240690a_100011830311_200121576911 [1,1,0,0,0,0|0,0,2]=4 305 B11R0.91 CC(C)CC(C#N)NC(=O)CO 240690a_100000741378_100000210174 [1,1,0,0,0,0|1,0,1]=4 306 B11R0.91 CC(C)CC(C#N)NC(=O)CO 527a_100000741378_100000210174 [1,1,0,0,0,0|1,0,1]=4 307 B11R0.91 CC(C)C[C@@H](CO)NC(=O)CO 240690a_100011830311_100000210174 [1,1,0,0,0,0|0,0,1]=3 308 B11R0.91 CC(C)C[C@@H](CO)NC(=O)CO 527a_100011830311_100000210174 [1,1,0,0,0,0|0,0,1]=3 309 B11R0.91 CCC(=O)NC(C#N)CC(C)C 11a_100000741378_100000210414 [1,1,0,0,0,0|1,0,1]=4 310 B11R0.91 CCC(=O)NC(C#N)CC(C)C 1626a_100000741378_100000210414 [1,1,0,0,0,0|1,0,1]=4 311 B11R0.91 CCC(=O)NC(C#N)CC(C)C 240690a_100000741378_100000210414 [1,1,0,0,0,0|1,0,1]=4 312 B11R0.91 CCC(=O)NC(C#N)CC(C)C 527a_100000741378_100000210414 [1,1,0,0,0,0|1,0,1]=4 313 B11R0.91 CCC(=O)N[C@H](CO)CC(C)C 240690a_100011830311_100000210414 [1,1,0,0,0,0|0,0,1]=3 314 B11R0.91 CCC(=O)N[C@H](CO)CC(C)C 527a_100011830311_100000210414 [1,1,0,0,0,0|0,0,1]=3 315 B11R0.91 CNC(=O)NC(C#N)CC(C)C 2708a_100000741378_106832991635 [1,1,0,0,0,0|1,0,1]=4 316 B11R0.91 CNC(=O)NC(C#N)CC(C)C 2708a_100102657272_100000741378 [1,1,0,0,0,0|1,0,1]=4 317 B11R0.91 CNC(=O)NC(C#N)CC(C)C 273464a_100000741378_100102657272 [1,1,0,0,0,0|1,0,1]=4 318 B11R0.91 CNC(=O)NC(C#N)CC(C)C 273464a_100102657272_100000741378 [1,1,0,0,0,0|1,0,1]=4 319 B11R0.91 CNC(=O)NC(C#N)CC(C)C 512a_100000741378_100102657272 [1,1,0,0,0,0|1,0,1]=4 320 B11R0.91 CNC(=O)NC(C#N)CC(C)C 512a_106832991638_100000741378 [1,1,0,0,0,0|1,0,1]=4 321 B11R0.91 CNC(=O)N[C@H](CO)CC(C)C 2708a_100102657272_100011830311 [1,1,0,0,0,0|0,0,1]=3 322 B11R0.91 CNC(=O)N[C@H](CO)CC(C)C 273464a_100011830311_100102657272 [1,1,0,0,0,0|0,0,1]=3 323 B11R0.91 CNC(=O)N[C@H](CO)CC(C)C 273464a_100102657272_100011830311 [1,1,0,0,0,0|0,0,1]=3 324 B11R0.91 CNC(=O)N[C@H](CO)CC(C)C 512a_100011830311_100102657272 [1,1,0,0,0,0|0,0,1]=3 325 B11R0.91 CNC(=O)N[C@H](CO)CC(C)C 512a_106832991638_100011830311 [1,1,0,0,0,0|0,0,1]=3 326 B11R0.144 CC(=O)NC(CO)C(=O)C(C)C 1458a_200011194110_100000210206 [1,1,0,0,0,0|0,0,2]=4 327 B11R0.274 CC(C)C[C@@H](CO)NS(=O)(=O)C 40a_100011830311_100000738038 [1,1,0,0,0,0|1,0,1]=4 328 B11R0.108 C#CC(C)N[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000035995 [0,1,0,0,1,0|1,0,1]=4 329 B11R0.108 C=CC(=O)N[C@H](C(=O)N)C(C)C 1626a_100000119348_100000185746 [0,1,0,0,1,0|1,0,1]=4 330 B11R0.108 C=CC(=O)N[C@H](C(=O)N)C(C)C 240690a_100000119348_200121576911 [0,1,0,0,1,0|1,0,1]=4 331 B11R0.108 C=CC(C)N[C@@H](C(=O)O)C(C)C 269956a_100000745019_100011215867 [0,1,0,0,1,0|1,0,1]=4 332 B11R0.108 CC(=O)C(SC(C)CO)C(=O)C 62a_100012180447_100000210371 [0,1,0,0,1,0|2,0,0]=4 333 B11R0.108 CC(=O)C(S[C@H](C)CO)C(=O)C 62a_100000210371_100016084084 [0,1,0,0,1,0|2,0,0]=4 334 B11R0.108 CC(=O)C(S[C@H](C)CO)C(=O)C 62a_100016084084_100000210371 [0,1,0,0,1,0|2,0,0]=4 335 B11R0.108 CC(C#N)N[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000184139 [0,1,0,0,1,0|1,0,1]=4 336 B11R0.108 CC(C)[C@@H](N[C@H](C)CO)C(=O)O 269956a_100000745019_100016084084 [0,1,0,0,1,0|0,0,2]=4 337 B11R0.108 CC(C)[C@H](NC(=O)CO)C(=O)N 240690a_100000119348_100000210174 [0,1,0,0,1,0|1,0,0]=3 338 B11R0.108 CC(C)[C@H](NC(=O)CO)C(=O)N 527a_100000119348_100000210174 [0,1,0,0,1,0|1,0,0]=3 339 B11R0.108 CCC(=O)N[C@H](C(=O)N)C(C)C 11a_100000119348_100000210414 [0,1,0,0,1,0|1,0,0]=3 340 B11R0.108 CCC(=O)N[C@H](C(=O)N)C(C)C 1626a_100000119348_100000210414 [0,1,0,0,1,0|1,0,0]=3 341 B11R0.108 CCC(=O)N[C@H](C(=O)N)C(C)C 240690a_100000119348_100000210414 [0,1,0,0,1,0|1,0,0]=3 342 B11R0.108 CCC(=O)N[C@H](C(=O)N)C(C)C 527a_100000119348_100000210414 [0,1,0,0,1,0|1,0,0]=3 343 B11R0.108 CCC(=O)N[C@H](C(=O)N)[C@@H](C)O 11a_100000003557_100000210414 [0,1,0,0,1,0|2,0,0]=4 344 B11R0.108 CCC(=O)N[C@H](C(=O)N)[C@@H](C)O 240690a_100000003557_100000210414 [0,1,0,0,1,0|2,0,0]=4 345 B11R0.108 CCC(=O)N[C@H](C(=O)N)[C@@H](C)O 527a_100000003557_100000210414 [0,1,0,0,1,0|2,0,0]=4 346 B11R0.108 CCC(=O)OC(C(=O)C)C(C)C 1458a_100000070787_100016989192 [0,1,0,0,1,0|2,0,0]=4 347 B11R0.108 CCC(C)N[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000758301 [0,1,0,0,1,0|1,0,1]=4 348 B11R0.108 CCC(C)SC(C(=O)C)C(=O)C 62a_100000210371_100000758301 [0,1,0,0,1,0|2,0,0]=4 349 B11R0.108 CCC(C)SC(C(=O)C)C(=O)C 62a_100000758301_100000210371 [0,1,0,0,1,0|2,0,0]=4 350 B11R0.108 CNC(=O)N[C@H](C(=O)N)C(C)C 273464a_100000119348_100102657272 [0,1,0,0,1,0|1,0,0]=3 351 B11R0.108 CNC(=O)N[C@H](C(=O)N)C(C)C 273464a_100102657272_100000119348 [0,1,0,0,1,0|1,0,0]=3 352 B11R0.108 CNC(=O)N[C@H](C(=O)N)C(C)C 512a_100000119348_100102657272 [0,1,0,0,1,0|1,0,0]=3 353 B11R0.108 COC(=O)N[C@H](C(=O)C)C(C)C 1458a_100000753774_200000210301 [0,1,0,0,1,0|1,0,0]=3 354 B11R0.108 COC(=O)N[C@H](C(=O)[13CH3])C(C)C 1458a_100000753774_200025704644 [0,1,0,0,1,0|1,0,0]=3 355 B11R0.108 COC(C)N[C@@H](C(=O)O)C(C)C 269956a_100000745019_100009879195 [0,1,0,0,1,0|0,0,2]=4 356 B11R0.108 COC(C)SC(C(=O)C)C(=O)C 62a_100000210371_100009879195 [0,1,0,0,1,0|2,0,0]=4 357 B11R0.108 COC(C)SC(C(=O)C)C(=O)C 62a_100009879195_100000210371 [0,1,0,0,1,0|2,0,0]=4 358 B11R0.108 C[C@@H](O)[C@H](NC(=O)CO)C(=O)N 240690a_100000003557_100000210174 [0,1,0,0,1,0|2,0,0]=4 359 B11R0.108 C[C@@H](O)[C@H](NC(=O)CO)C(=O)N 527a_100000003557_100000210174 [0,1,0,0,1,0|2,0,0]=4 360 B11R0.234 CC(=O)N[C@@H](C(C)C)C(C)(C)O 11a_100000718284_100015343762 [0,1,0,0,1,0|1,0,1]=4 361 B11R0.234 CC(=O)N[C@@H](C(C)C)C(C)(C)O 1626a_100000718284_100015343762 [0,1,0,0,1,0|1,0,1]=4 362 B11R0.234 CC(=O)N[C@@H](C(C)C)C(C)(C)O 240690a_100000718284_100015343762 [0,1,0,0,1,0|1,0,1]=4 363 B11R0.234 CC(=O)N[C@@H](C(C)C)C(C)(C)O 527a_100000718284_100103153847 [0,1,0,0,1,0|1,0,1]=4 364 B11R0.234 CC(=O)N[C@H](C(=O)C)C(C)(C)C 1458a_100011418088_200000210301 [0,1,0,0,1,0|1,0,0]=3 365 B11R0.234 CC(=O)N[C@H](C(=O)N)C(C)(C)C 11a_100000765447_100015343762 [0,1,0,0,1,0|1,0,0]=3 366 B11R0.234 CC(=O)N[C@H](C(=O)N)C(C)(C)C 1626a_100000765447_100015343762 [0,1,0,0,1,0|1,0,0]=3 367 B11R0.234 CC(=O)N[C@H](C(=O)N)C(C)(C)C 240690a_100000765447_100015343762 [0,1,0,0,1,0|1,0,0]=3 368 B11R0.234 CC(=O)N[C@H](C(=O)N)C(C)(C)C 527a_100000765447_100103153847 [0,1,0,0,1,0|1,0,0]=3 369 B11R0.234 CC(=O)N[C@H](C(=O)[13CH3])C(C)(C)C 1458a_100011418088_200025704644 [0,1,0,0,1,0|1,0,0]=3 370 B11R0.234 CC(C)N[C@@H](C(=O)O)C(C)(C)C 269956a_100000753415_100000210206 [0,1,0,0,1,0|1,0,1]=4 371 B11R0.234 CC(C)N[C@@H](C(=O)O)C(C)(C)O 269956a_100015421311_100000210206 [0,1,0,0,1,0|1,0,1]=4 372 B11R0.317 CC(C)[C@@H](C(=O)O)N(C)C(C)C 269956a_100015941355_100000210206 [0,1,0,0,1,0|1,0,1]=4 373 B11R0.426 CC(=O)C(SC(C)(C)C)C(=O)C 62a_100000210371_100000211941 [0,1,0,0,1,0|2,0,0]=4 374 B11R0.426 CC(=O)C(SC(C)(C)C)C(=O)C 62a_100000211941_100000210371 [0,1,0,0,1,0|2,0,0]=4 375 B11R0.426 CC(C)[C@@H](NC(C)(C)C)C(=O)O 269956a_100000745019_100000211941 [0,1,0,0,1,0|1,0,1]=4 376 B11R0.426 CC(C)[C@H](NS(=O)(=O)C)C(=O)N 40a_100000119348_100000738038 [0,1,0,0,1,0|2,0,0]=4 377 B11R0.427 CC(=O)NC(C)(C(=O)N)C(C)C 11a_100000729261_100015343762 [0,1,0,0,1,0|1,0,0]=3 378 B11R0.427 CC(=O)NC(C)(C(=O)N)C(C)C 1626a_100000729261_100015343762 [0,1,0,0,1,0|1,0,0]=3 379 B11R0.427 CC(=O)NC(C)(C(=O)N)C(C)C 240690a_100000729261_100015343762 [0,1,0,0,1,0|1,0,0]=3 380 B11R0.427 CC(=O)NC(C)(C(=O)N)C(C)C 527a_100000729261_100103153847 [0,1,0,0,1,0|1,0,0]=3 381 B13R0.52 CC(=O)NC(CC(=O)N)C(=O)C(C)C 1458a_200000195199_100000210206 [0,1,0,0,0,1|1,0,1]=4 382 B13R0.197 CC(C)CC(CC(=O)N)CC(=O)CF 1458a_100000088906_100015361967 [0,1,0,0,0,1|2,0,0]=4 383 B13R0.197 CCC(=O)CC(CC(=O)N)CC(C)C 1458a_100000088906_100000210202 [0,1,0,0,0,1|2,0,0]=4 384 B13R0.197 CNC(=O)CC(CC(=O)N)CC(C)C 11a_106832991635_100000088906 [0,1,0,0,0,1|2,0,0]=4 385 B13R0.197 CNC(=O)CC(CC(=O)N)CC(C)C 1626a_100102657272_100000088906 [0,1,0,0,0,1|2,0,0]=4 386 B13R0.197 CNC(=O)CC(CC(=O)N)CC(C)C 240690a_100102657272_100000088906 [0,1,0,0,0,1|2,0,0]=4 387 B13R0.197 CNC(=O)CC(CC(=O)N)CC(C)C 527a_100102657272_100000088906 [0,1,0,0,0,1|2,0,0]=4 388 B13R0.197 COC(=O)CC(CC(=O)C)CC(C)C 1458a_200010428868_200000210301 [0,1,0,0,0,1|1,0,0]=3 389 B13R0.197 COC(=O)CC(CC(=O)[13CH3])CC(C)C 1458a_200010428868_200025704644 [0,1,0,0,0,1|1,0,0]=3 390 B13R0.197 COC(=O)C[C@H](CC(C)C)NC(=O)C 188690a_200054261672_100015343762 [0,1,0,0,0,1|0,0,0]=2 391 B13R0.80 CC(=O)N[C@H](C(=O)CC(C)C)[C@@H](C)O 1458a_100012017110_100000210624 [0,1,0,0,0,1|1,0,1]=4 392 B13R0.253 C=C(C)CO[C@H](CC(C)C)C(=O)OC 34a_100014169393_100000748629 [0,1,0,0,0,1|2,0,0]=4 393 B13R0.253 C=C(C)CO[C@H](CC(C)C)C(=O)OC 7a_100014169393_100000748629 [0,1,0,0,0,1|2,0,0]=4 394 B13R0.253 COC(=O)C(=NNC(=O)C)CC(C)C 4a_100000189765_200000100486 [0,1,0,0,0,1|0,0,1]=3 395 B13R0.253 COC(=O)C(CSC(C)C)NC(=O)C 62a_100000210206_100000763271 [0,1,0,0,0,1|0,0,0]=2 396 B13R0.253 COC(=O)C(CSC(C)C)NC(=O)C 62a_100000763271_100000210206 [0,1,0,0,0,1|0,0,0]=2 397 B13R0.253 COC(=O)[C@@H](CC(C)C)OCC(=O)N 34a_100014169393_100000187820 [0,1,0,0,0,1|2,0,0]=4 398 B13R0.253 COC(=O)[C@@H](CC(C)C)OCC(=O)N 7a_100014169393_100000187820 [0,1,0,0,0,1|2,0,0]=4 399 B13R0.253 COC(=O)[C@@H](CC(C)C)OCC(=O)[O-] 34a_100014169393_100020667443 [0,1,0,0,0,1|2,0,0]=4 400 B13R0.253 COC(=O)[C@H](CCC(=O)C)NC(=O)C 1458a_200010776074_200000210301 [0,1,0,0,0,1|1,0,1]=4 401 B13R0.253 COC(=O)[C@H](CCC(=O)[13CH3])NC(=O)C 1458a_200010776074_200025704644 [0,1,0,0,0,1|1,0,1]=4 402 B13R0.432 CCC(=O)CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000747405 [0,1,0,0,0,1|2,0,0]=4 403 B13R0.432 CCC(C)CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000748023 [0,1,0,0,0,1|2,0,0]=4 404 B13R0.432 CC[C@H](C)CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100009816398 [0,1,0,0,0,1|2,0,0]=4 405 B13R0.432 CNC(=O)CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000183359 [0,1,0,0,0,1|1,0,0]=3 406 B13R0.432 CNC(=O)CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000183359 [0,1,0,0,0,1|1,0,0]=3 407 B13R0.432 CNC(=O)CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000183359 [0,1,0,0,0,1|2,0,0]=4 408 B13R0.432 COC(=O)CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000747449 [0,1,0,0,0,1|1,0,0]=3 409 B13R0.432 COC(=O)CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000747449 [0,1,0,0,0,1|1,0,0]=3 410 B13R0.432 COC(=O)CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000747449 [0,1,0,0,0,1|2,0,0]=4 411 B13R0.432 C[C@@H](CO)CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000059175 [0,1,0,0,0,1|2,0,0]=4 412 B13R0.613 C=C(C)C(=O)N[C@@H](CC(C)C)C(=O)N 11a_100016989234_100000185857 [0,1,0,0,0,1|2,0,0]=4 413 B13R0.613 C=C(C)C(=O)N[C@@H](CC(C)C)C(=O)N 1626a_100016989234_100000185857 [0,1,0,0,0,1|2,0,0]=4 414 B13R0.613 CC(=O)C(C)N[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100009814033 [0,1,0,0,0,1|1,0,0]=3 415 B13R0.613 CC(=O)C(C)N[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100009814033 [0,1,0,0,0,1|2,0,0]=4 416 B13R0.613 CC(C)C[C@H](NC(=O)C(=O)N)C(=O)N 240690a_100016989234_100011215815 [0,1,0,0,0,1|2,0,0]=4 417 B13R0.613 CC(C)C[C@H](NC(C)C(=O)N)C(=O)N 2230a_100016989234_100000702099 [0,1,0,0,0,1|2,0,0]=4 418 B13R0.613 CC(C)C[C@H](NC(C)C(=O)N)C(=O)N 34a_100016989234_100000702099 [0,1,0,0,0,1|2,0,0]=4 419 B13R0.613 CC(C)C[C@H](NC(F)C(=O)N)C(=O)N 2230a_100016989234_100009813875 [0,1,0,0,0,1|2,0,0]=4 420 B13R0.613 CC(C)C[C@H](NC(F)C(=O)N)C(=O)N 34a_100016989234_100009813875 [0,1,0,0,0,1|2,0,0]=4 421 B13R0.613 CC(C)C[C@H](NC(F)C(=O)[O-])C(=O)N 34a_100016989234_100020610796 [0,1,0,0,0,1|2,0,0]=4 422 B13R0.630 CC(C)N[C@@H](CCC(C)(C)C)C(=O)O 269956a_200014094532_100000210206 [0,1,0,0,0,1|1,0,1]=4 423 B13R0.630 CC(C)N[C@@H](COC(C)(C)C)C(=O)O 269956a_100000704425_100000210206 [0,1,0,0,0,1|1,0,1]=4 424 B13R0.630 CC(C)N[C@H](CSC(C)(C)C)C(=O)O 269956a_100015207734_100000210206 [0,1,0,0,0,1|1,0,1]=4 425 B13R0.630 CS(=O)C[C@H](NCC(C)(C)C)C(=O)O 269956a_100009817418_100011219605 [0,1,0,0,0,1|2,0,0]=4 426 B13R0.630 CS(=O)C[C@H](NCC(C)(C)F)C(=O)O 269956a_100009817418_100011997219 [0,1,0,0,0,1|2,0,0]=4 427 B13R0.630 CS(=O)C[C@H](NCC(C)(C)O)C(=O)O 269956a_100009817418_100000764493 [0,1,0,0,0,1|2,0,0]=4 428 B13R0.1418 C=C(C)CNC(CC(C)(C)C)C(=O)O 269956a_100000691758_100000748629 [0,1,0,0,0,1|1,0,0]=3 429 B13R0.1418 C=C(C)CN[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_100000748629 [0,1,0,0,0,1|1,0,0]=3 430 B13R0.1418 C=C(F)CNC(CC(C)(C)C)C(=O)O 269956a_100000691758_100000042424 [0,1,0,0,0,1|1,0,1]=4 431 B13R0.1418 C=C(F)CN[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_100000042424 [0,1,0,0,0,1|1,0,1]=4 432 B13R0.1418 CC(C)(C)CC(NCC(=O)N)C(=O)O 269956a_100000691758_100000187820 [0,1,0,0,0,1|1,0,0]=3 433 B13R0.1418 CC(C)(C)CC(NCC(=O)[O-])C(=O)O 269956a_100000691758_100020667443 [0,1,0,0,0,1|1,0,0]=3 434 B13R0.1418 CC(C)(C)CC(NC[N+](=O)[O-])C(=O)O 269956a_100000691758_100000761209 [0,1,0,0,0,1|2,0,0]=4 435 B13R0.1418 CC(C)(F)C[C@H](NCC(=O)N)C(=O)O 269956a_100016039316_100000187820 [0,1,0,0,0,1|1,0,0]=3 436 B13R0.1418 CC(C)(F)C[C@H](NCC(=O)[O-])C(=O)O 269956a_100016039316_100020667443 [0,1,0,0,0,1|1,0,0]=3 437 B13R0.1418 CC(C)(F)C[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100016039316_100000761209 [0,1,0,0,0,1|2,0,0]=4 438 B13R0.1418 CC(C)CNC(CC(C)(C)C)C(=O)O 269956a_100000691758_100000210760 [0,1,0,0,0,1|1,0,1]=4 439 B13R0.1418 CC(C)CN[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_100000210760 [0,1,0,0,0,1|1,0,1]=4 440 B13R0.1418 CC(O)CNC(CC(C)(C)C)C(=O)O 269956a_100000691758_100011218427 [0,1,0,0,0,1|0,0,2]=4 441 B13R0.1418 CC(O)CN[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_100011218427 [0,1,0,0,0,1|0,0,2]=4 442 B13R0.1418 C[C@@H](O)CNC(CC(C)(C)C)C(=O)O 269956a_100000691758_100009817552 [0,1,0,0,0,1|0,0,2]=4 443 B13R0.1418 C[C@@H](O)CN[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_100009817552 [0,1,0,0,0,1|0,0,2]=4 444 B13R0.254 COC(=O)[C@H](CC(C)C)N(C)C(=O)C 11a_100000734127_100015343762 [0,2,0,0,0,0|0,0,0]=2 445 B13R0.254 COC(=O)[C@H](CC(C)C)N(C)C(=O)C 1626a_100000734127_100015343762 [0,2,0,0,0,0|0,0,0]=2 446 B13R0.254 COC(=O)[C@H](CC(C)C)N(C)C(=O)C 240690a_100000734127_100015343762 [0,2,0,0,0,0|0,0,0]=2 447 B13R0.254 COC(=O)[C@H](CC(C)C)N(C)C(=O)C 527a_100000734127_100103153847 [0,2,0,0,0,0|0,0,0]=2 448 B13R0.254 COC(=O)[C@H](CC(C)C)N(C)C(C)C 2230a_100000734127_100000210206 [0,2,0,0,0,0|1,0,1]=4 449 B13R0.254 COC(=O)[C@H](CC(C)C)N(C)C(C)C 269982a_100000734127_100000210206 [0,2,0,0,0,0|1,0,1]=4 450 B13R0.22 C#CCC(=O)N[C@@H](CC(C)C)C(=O)N 1626a_100016989234_100011220946 [0,2,0,0,0,0|1,0,0]=3 451 B13R0.22 C#CCC(=O)N[C@@H](CC(C)C)C(=O)N 527a_100016989234_100011220946 [0,2,0,0,0,0|1,0,0]=3 452 B13R0.22 C=CCC(=O)N[C@@H](CC(C)C)C(=O)N 11a_100016989234_100000210193 [0,2,0,0,0,0|1,0,0]=3 453 B13R0.22 C=CCC(=O)N[C@@H](CC(C)C)C(=O)N 1626a_100016989234_100000210193 [0,2,0,0,0,0|1,0,0]=3 454 B13R0.22 C=CCC(=O)N[C@@H](CC(C)C)C(=O)N 240690a_100016989234_100000210193 [0,2,0,0,0,0|1,0,0]=3 455 B13R0.22 C=CCC(=O)N[C@@H](CC(C)C)C(=O)N 527a_100016989234_100000210193 [0,2,0,0,0,0|1,0,0]=3 456 B13R0.22 CC(C)C[C@H](NC(=O)C=CBr)C(=O)N 1626a_100016989234_100016273825 [0,2,0,0,0,0|1,0,1]=4 457 B13R0.22 CC(C)C[C@H](NC(=O)C=CBr)C(=O)N 240690a_100016989234_100016273825 [0,2,0,0,0,0|1,0,1]=4 458 B13R0.22 CC(C)C[C@H](NC(=O)C=CCl)C(=O)N 11a_100016989234_200016279998 [0,2,0,0,0,0|1,0,1]=4 459 B13R0.22 CC(C)C[C@H](NC(=O)C=CCl)C(=O)N 1626a_100016989234_200016279998 [0,2,0,0,0,0|1,0,1]=4 460 B13R0.22 CC(C)C[C@H](NC(=O)C=CCl)C(=O)N 240690a_100016989234_200016279998 [0,2,0,0,0,0|1,0,1]=4 461 B13R0.22 CC(C)C[C@H](NC(=O)C=CI)C(=O)N 1626a_100016989234_100016256311 [0,2,0,0,0,0|1,0,1]=4 462 B13R0.22 CC(C)C[C@H](NC(=O)CC#N)C(=O)N 1626a_100016989234_100051588842 [0,2,0,0,0,0|1,0,0]=3 463 B13R0.22 CC(C)C[C@H](NC(=O)CC#N)C(=O)N 240690a_100016989234_100051588842 [0,2,0,0,0,0|1,0,0]=3 464 B13R0.22 CC(C)C[C@H](NC(=O)CCO)C(=O)N 240690a_100016989234_100011216618 [0,2,0,0,0,0|1,0,0]=3 465 B13R0.22 CC(C)C[C@H](NC(=O)CN[13CH3])C(=O)N 2230a_200000088061_200025704644 [0,2,0,0,0,0|1,0,0]=3 466 B13R0.22 CC(C)C[C@H](NC(=O)CN[13CH3])C(=O)O 269956a_100011424803_200025704644 [0,2,0,0,0,0|0,0,0]=2 467 B13R0.22 CC=CC(=O)N[C@@H](CC(C)C)C(=O)N 11a_100016989234_100000210699 [0,2,0,0,0,0|1,0,0]=3 468 B13R0.22 CC=CC(=O)N[C@@H](CC(C)C)C(=O)N 1626a_100016989234_100000210699 [0,2,0,0,0,0|1,0,0]=3 469 B13R0.22 CC=CC(=O)N[C@@H](CC(C)C)C(=O)N 240690a_100016989234_100000210699 [0,2,0,0,0,0|1,0,0]=3 470 B13R0.22 CCCC(=O)N[C@@H](CC(C)C)C(=O)N 11a_100016989234_100000211992 [0,2,0,0,0,0|1,0,0]=3 471 B13R0.22 CCCC(=O)N[C@@H](CC(C)C)C(=O)N 1626a_100016989234_100000211992 [0,2,0,0,0,0|1,0,0]=3 472 B13R0.22 CCCC(=O)N[C@@H](CC(C)C)C(=O)N 240690a_100016989234_100000211992 [0,2,0,0,0,0|1,0,0]=3 473 B13R0.22 CCCC(=O)N[C@@H](CC(C)C)C(=O)N 527a_100016989234_100000211992 [0,2,0,0,0,0|1,0,0]=3 474 B13R0.22 CCNC(=O)N[C@@H](CC(C)C)C(=O)N 273464a_100015525214_100016989234 [0,2,0,0,0,0|1,0,0]=3 475 B13R0.22 CCNC(=O)N[C@@H](CC(C)C)C(=O)N 273464a_100016989234_100015525214 [0,2,0,0,0,0|1,0,0]=3 476 B13R0.22 CCNC(=O)N[C@@H](CC(C)C)C(=O)N 512a_100016989234_100015525214 [0,2,0,0,0,0|1,0,0]=3 477 B13R0.22 CNCC(=O)N[C@@H](CC(C)C)C(=O)N 2230a_200000088061_200000210301 [0,2,0,0,0,0|1,0,0]=3 478 B13R0.22 CNCC(=O)N[C@@H](CC(C)C)C(=O)O 269956a_100011424803_200000210301 [0,2,0,0,0,0|0,0,0]=2 479 B13R0.22 CNNC(=O)N[C@@H](CC(C)C)C(=O)N 273464a_100016989234_100016993582 [0,2,0,0,0,0|1,0,0]=3 480 B13R0.22 CNNC(=O)N[C@@H](CC(C)C)C(=O)N 512a_100016989234_100016993582 [0,2,0,0,0,0|1,0,0]=3 481 B13R0.22 COCC(=O)N[C@@H](CC(C)C)C(=O)N 11a_100016989234_100000210968 [0,2,0,0,0,0|1,0,0]=3 482 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269956a_100000691758_100011215867 [0,2,0,0,0,0|1,0,1]=4 503 B13R0.839 C=CC(C)N[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_100011215867 [0,2,0,0,0,0|1,0,1]=4 504 B13R0.839 CC(C#N)NC(CC(C)(C)C)C(=O)O 269956a_100000691758_100000184139 [0,2,0,0,0,0|1,0,1]=4 505 B13R0.839 CC(C#N)N[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_100000184139 [0,2,0,0,0,0|1,0,1]=4 506 B13R0.839 CCC(C)NC(CC(C)(C)C)C(=O)O 269956a_100000691758_100000758301 [0,2,0,0,0,0|1,0,1]=4 507 B13R0.839 CCC(C)N[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_100000758301 [0,2,0,0,0,0|1,0,1]=4 508 B13R0.839 COC(C)NC(CC(C)(C)C)C(=O)O 269956a_100000691758_100009879195 [0,2,0,0,0,0|0,0,2]=4 509 B13R0.839 COC(C)N[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_100009879195 [0,2,0,0,0,0|0,0,2]=4 510 B13R0.839 C[C@H](CO)NC(CC(C)(C)C)C(=O)O 269956a_100000691758_100016084084 [0,2,0,0,0,0|0,0,2]=4 511 B13R0.839 C[C@H](CO)N[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_100016084084 [0,2,0,0,0,0|0,0,2]=4 512 B13R0.1149 CC(C)C[C@H](NS(=O)(=O)CCl)C(=O)N 270084a_100016989234_100000031410 [0,2,0,0,0,0|2,0,0]=4 513 B13R0.1149 CC(C)C[C@H](NS(=O)(=O)CCl)C(=O)N 274078a_100016989234_100000031410 [0,2,0,0,0,0|2,0,0]=4 514 B13R0.1149 CCS(=O)(=O)N[C@@H](CC(C)C)C(=O)N 270084a_100016989234_100000211323 [0,2,0,0,0,0|2,0,0]=4 515 B13R0.1149 CCS(=O)(=O)N[C@@H](CC(C)C)C(=O)N 274078a_100016989234_100000211323 [0,2,0,0,0,0|2,0,0]=4 516 B13R0.1149 CCS(=O)(=O)N[C@@H](CC(C)C)C(=O)N 40a_100016989234_100000053943 [0,2,0,0,0,0|2,0,0]=4 517 B13R0.83 C#CCC(=O)[C@H](CC(C)C)NC(=O)C 1458a_100000699969_100000184674 [0,2,0,0,0,0|1,0,0]=3 518 B13R0.83 C=CCC(=O)[C@H](CC(C)C)NC(=O)C 1458a_100000699969_100000210623 [0,2,0,0,0,0|1,0,0]=3 519 B13R0.83 CC(=O)N[C@@H](CC(C)C)C(=O)CC#N 1458a_100000699969_100011214920 [0,2,0,0,0,0|1,0,0]=3 520 B13R0.83 CC(=O)N[C@@H](CC(C)C)C(=O)CCF 1458a_100000699969_100011217306 [0,2,0,0,0,0|1,0,0]=3 521 B13R0.83 CC(=O)N[C@@H](CC(C)C)C(=O)CCO 1458a_100000699969_100000211926 [0,2,0,0,0,0|0,0,0]=2 522 B13R0.83 CCCC(=O)[C@H](CC(C)C)NC(=O)C 1458a_100000699969_100000210303 [0,2,0,0,0,0|1,0,0]=3 523 B13R0.83 CCNC(=O)[C@H](CC(C)C)NC(=O)C 11a_100015525214_100000699969 [0,2,0,0,0,0|1,0,0]=3 524 B13R0.83 CCNC(=O)[C@H](CC(C)C)NC(=O)C 240690a_100015525214_100000699969 [0,2,0,0,0,0|1,0,0]=3 525 B13R0.83 CCNC(=O)[C@H](CC(C)C)NC(=O)C 527a_100015525214_100000699969 [0,2,0,0,0,0|1,0,0]=3 526 B13R0.83 CCOC(=O)C(CC(C)C)NC(C)C 2230a_100138425928_100010269446 [0,2,0,0,0,0|1,0,1]=4 527 B13R0.83 CCOC(=O)C(CC(C)C)NC(C)C 34a_100138425928_100010269446 [0,2,0,0,0,0|1,0,1]=4 528 B13R0.83 CCOC(=O)[C@@H](CC(C)C)NC(=O)C 188690a_100016998262_100015343762 [0,2,0,0,0,0|0,0,0]=2 529 B13R0.83 CNNC(=O)[C@H](CC(C)C)NC(=O)C 22a_100016993582_100000699969 [0,2,0,0,0,0|1,0,0]=3 530 B13R0.888 CC(=O)N[C@@H](CC(C)(C)C)C(=O)CF 1458a_200009826755_100015361967 [0,2,0,0,0,0|1,0,0]=3 531 B13R0.888 CCC(=O)[C@H](CC(C)(C)C)NC(=O)C 1458a_200009826755_100000210202 [0,2,0,0,0,0|1,0,0]=3 532 B13R0.888 CNC(=O)C(CC(C)C)NS(=O)(=O)C 1626a_100102657272_100000165683 [0,2,0,0,0,0|2,0,0]=4 533 B13R0.888 CNC(=O)C(CC(C)C)NS(=O)(=O)C 240690a_100102657272_100000165683 [0,2,0,0,0,0|2,0,0]=4 534 B13R0.888 CNC(=O)[C@H](CC(C)(C)C)NC(=O)C 11a_106832991635_200009826755 [0,2,0,0,0,0|1,0,0]=3 535 B13R0.888 CNC(=O)[C@H](CC(C)(C)C)NC(=O)C 1626a_100102657272_200009826755 [0,2,0,0,0,0|1,0,0]=3 536 B13R0.888 CNC(=O)[C@H](CC(C)(C)C)NC(=O)C 240690a_100102657272_200009826755 [0,2,0,0,0,0|1,0,0]=3 537 B13R0.888 CNC(=O)[C@H](CC(C)(C)C)NC(=O)C 527a_100102657272_200009826755 [0,2,0,0,0,0|1,0,0]=3 538 B13R0.1997 CC(C)(C)CC(NC(C)(C)C)C(=O)O 269956a_100000691758_100000211941 [0,2,0,0,0,0|1,0,1]=4 539 B13R0.1997 CC(C)(F)C[C@H](NC(C)(C)C)C(=O)O 269956a_100016039316_100000211941 [0,2,0,0,0,0|1,0,1]=4 540 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210202 [1,0,0,1,0,0|1,0,1]=4 541 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210202 [1,0,0,1,0,0|1,0,1]=4 542 B11R1.86 CC(=O)NC1CCCNC1=O 11a_100000747585_100015343762 [1,0,0,1,0,0|1,0,0]=3 543 B11R1.86 CC(=O)NC1CCCNC1=O 1626a_100000747585_100015343762 [1,0,0,1,0,0|1,0,0]=3 544 B11R1.86 CC(=O)NC1CCCNC1=O 240690a_100000747585_100015343762 [1,0,0,1,0,0|1,0,0]=3 545 B11R1.86 CC(=O)NC1CCCNC1=O 527a_100000747585_100103153847 [1,0,0,1,0,0|1,0,0]=3 546 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [1,0,0,1,0,0|1,0,1]=4 547 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [1,0,0,1,0,0|1,0,1]=4 548 B11R1.178 CC(=O)C1CCCN1C(=O)N 1458a_200000183025_200000210301 [1,0,0,1,0,0|2,0,0]=4 549 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 11a_100000003125_100015343762 [1,0,0,1,0,0|1,0,0]=3 550 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100015343762 [1,0,0,1,0,0|1,0,0]=3 551 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 527a_100000003125_100103153847 [1,0,0,1,0,0|1,0,0]=3 552 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)[13CH3] 1458a_100011416801_200025704644 [1,0,0,1,0,0|1,0,0]=3 553 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)[13CH3] 1458a_100011417960_200025704644 [1,0,0,1,0,0|2,0,0]=4 554 B11R1.178 CC(=O)[C@@H]1CCCN1C(=O)C 1458a_100011416801_200000210301 [1,0,0,1,0,0|1,0,0]=3 555 B11R1.178 CC(=O)[C@@H]1CSCN1C(=O)C 1458a_100011417960_200000210301 [1,0,0,1,0,0|2,0,0]=4 556 B11R1.178 CC(C)N1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210206 [1,0,0,1,0,0|2,0,0]=4 557 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000210206 [1,0,0,1,0,0|1,0,1]=4 558 B11R1.178 [13CH3]C(=O)C1CCCN1C(=O)N 1458a_200000183025_200025704644 [1,0,0,1,0,0|2,0,0]=4 559 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 11a_100015977457_100015343762 [1,0,0,1,0,0|1,0,1]=4 560 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 1626a_100015977457_100015343762 [1,0,0,1,0,0|1,0,1]=4 561 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 240690a_100015977457_100015343762 [1,0,0,1,0,0|1,0,1]=4 562 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 527a_100015977457_100103153847 [1,0,0,1,0,0|1,0,1]=4 563 B11R1.645 CC(C)NC1CC(OC1=O)C 2230a_100138425928_200000216747 [1,0,0,1,0,0|1,0,1]=4 564 B11R1.645 CC(C)NC1CC(OC1=O)C 34a_100138425928_200000216747 [1,0,0,1,0,0|1,0,1]=4 565 B11R1.806 CCC[C@H](NC1CC1)C(=O)O 269956a_100000750406_100000211595 [1,0,0,1,0,0|1,0,1]=4 566 B11R1.929 CC(C)NC1(CCC1)C(=O)O 269956a_100000688724_100000210206 [1,0,0,1,0,0|1,0,1]=4 567 B11R1.157 CC(=O)NC1CCCC(C1)C 11a_100011194320_100015343762 [1,0,0,1,0,0|1,0,1]=4 568 B11R1.157 CC(=O)NC1CCCC(C1)C 1626a_100011194320_100015343762 [1,0,0,1,0,0|1,0,1]=4 569 B11R1.157 CC(=O)NC1CCCC(C1)C 240690a_100011194320_100015343762 [1,0,0,1,0,0|1,0,1]=4 570 B11R1.157 CC(=O)NC1CCCC(C1)C 527a_100011194320_100103153847 [1,0,0,1,0,0|1,0,1]=4 571 B11R1.933 CC(=O)NC1(CC1)CC(C)C 11a_100000732712_100015343762 [1,0,0,1,0,0|1,0,1]=4 572 B11R1.933 CC(=O)NC1(CC1)CC(C)C 1626a_100000732712_100015343762 [1,0,0,1,0,0|1,0,1]=4 573 B11R1.933 CC(=O)NC1(CC1)CC(C)C 240690a_100000732712_100015343762 [1,0,0,1,0,0|1,0,1]=4 574 B11R1.933 CC(=O)NC1(CC1)CC(C)C 527a_100000732712_100103153847 [1,0,0,1,0,0|1,0,1]=4 575 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)C 269956a_100009817619_200000210301 [0,0,0,1,1,0|2,0,0]=4 576 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)[13CH3] 269956a_100009817619_200025704644 [0,0,0,1,1,0|2,0,0]=4 577 B11R1.495 CC(C)NC1C(=O)CCC1=O 2230a_100138425928_100009820769 [0,0,0,1,1,0|2,0,0]=4 578 B11R1.495 CC(C)NC1C(=O)COC1=O 34a_100138425928_100000032967 [0,0,0,1,1,0|1,0,0]=3 579 B11R1.495 CC(C)OC1C(=O)COC1=O 34a_100000212225_100000032967 [0,0,0,1,1,0|1,0,0]=3 580 B11R1.495 CC(C)SC1C(=O)CCC1=O 62a_100000210206_100009820769 [0,0,0,1,1,0|2,0,0]=4 581 B11R1.495 CC(C)SC1C(=O)CCC1=O 62a_100009820769_100000210206 [0,0,0,1,1,0|2,0,0]=4 582 B11R1.495 CC(C)SC1C(=O)COC1=O 62a_100000210206_100000032967 [0,0,0,1,1,0|1,0,0]=3 583 B11R1.1381 CC(=O)C(SC1CC1)C(=O)C 62a_100000210371_100000211595 [0,0,0,1,1,0|2,0,0]=4 584 B11R1.1381 CC(C)[C@@H](NC1CC1)C(=O)O 269956a_100000745019_100000211595 [0,0,0,1,1,0|1,0,1]=4 585 B13R1.8761 CC(C)N1C(CSC1(C)C)C(=O)O 269956a_100000706825_100000210206 [0,0,0,1,0,1|1,0,1]=4 586 B13R1.8854 CS(=O)C[C@H](NCC1CC1)C(=O)O 269956a_100009817418_100000742324 [0,0,0,1,0,1|2,0,0]=4 587 B13R1.1046 CC(=O)N1CC(C[C@H]1C(=O)N)(F)F 11a_100015192519_100015343762 [0,1,0,1,0,0|2,0,0]=4 588 B13R1.1046 CC(=O)N1CC(C[C@H]1C(=O)N)(F)F 1626a_100015192519_100015343762 [0,1,0,1,0,0|2,0,0]=4 589 B13R1.1046 CC(=O)N1CC(C[C@H]1C(=O)N)(F)F 527a_100015192519_100103153847 [0,1,0,1,0,0|2,0,0]=4 590 B13R1.541 C=C1C[C@H](N(C1)C(=O)C)C(=O)OC 11a_100025771018_100015343762 [0,1,0,1,0,0|0,0,2]=4 591 B13R1.541 C=C1C[C@H](N(C1)C(=O)C)C(=O)OC 1626a_100025771018_100015343762 [0,1,0,1,0,0|0,0,2]=4 592 B13R1.541 C=C1C[C@H](N(C1)C(=O)C)C(=O)OC 240690a_100025771018_100015343762 [0,1,0,1,0,0|0,0,2]=4 593 B13R1.541 C=C1C[C@H](N(C1)C(=O)C)C(=O)OC 527a_100025771018_100103153847 [0,1,0,1,0,0|0,0,2]=4 594 B13R1.541 CC(=O)N1C[C@@H](C[C@H]1C(=O)CF)O 1458a_100011830302_100015361967 [0,1,0,1,0,0|2,0,0]=4 595 B13R1.541 CCC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 240690a_100020587027_100000210414 [0,1,0,1,0,0|2,0,0]=4 596 B13R1.541 CCC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 527a_100020587027_100000210414 [0,1,0,1,0,0|2,0,0]=4 597 B13R1.541 CCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 11a_100020614896_100000210414 [0,1,0,1,0,0|2,0,0]=4 598 B13R1.541 CCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 1626a_100020614896_100000210414 [0,1,0,1,0,0|2,0,0]=4 599 B13R1.541 CCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 240690a_100020614896_100000210414 [0,1,0,1,0,0|2,0,0]=4 600 B13R1.541 CCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 527a_100020614896_100000210414 [0,1,0,1,0,0|2,0,0]=4 601 B13R1.541 CCC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 1458a_100011830302_100000210202 [0,1,0,1,0,0|2,0,0]=4 602 B13R1.541 CNC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 273464a_100102657272_100020587027 [0,1,0,1,0,0|2,0,0]=4 603 B13R1.541 CNC(=O)N1C[C@H](C[C@H]1C(=O)N)F 273464a_100102657272_100020614896 [0,1,0,1,0,0|2,0,0]=4 604 B13R1.541 CNC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 1626a_100102657272_100011830302 [0,1,0,1,0,0|2,0,0]=4 605 B13R1.541 CNC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 240690a_100102657272_100011830302 [0,1,0,1,0,0|2,0,0]=4 606 B13R1.541 COC(=O)[C@@H]1C[C@@H](CN1C(=O)C)F 11a_100000724535_100015343762 [0,1,0,1,0,0|1,0,0]=3 607 B13R1.541 COC(=O)[C@@H]1C[C@@H](CN1C(=O)C)F 1626a_100000724535_100015343762 [0,1,0,1,0,0|1,0,0]=3 608 B13R1.541 COC(=O)[C@@H]1C[C@@H](CN1C(=O)C)F 240690a_100000724535_100015343762 [0,1,0,1,0,0|1,0,0]=3 609 B13R1.541 COC(=O)[C@@H]1C[C@@H](CN1C(=O)C)F 527a_100000724535_100103153847 [0,1,0,1,0,0|1,0,0]=3 610 B13R1.541 COC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 240690a_100000753705_100015343762 [0,1,0,1,0,0|1,0,0]=3 611 B13R1.541 COC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 527a_100000753705_100103153847 [0,1,0,1,0,0|1,0,0]=3 612 B13R1.541 NC(=O)[C@@H]1C[C@@H](CN1C(=O)CO)F 240690a_100020614896_100000210174 [0,1,0,1,0,0|2,0,0]=4 613 B13R1.541 NC(=O)[C@@H]1C[C@@H](CN1C(=O)CO)F 527a_100020614896_100000210174 [0,1,0,1,0,0|2,0,0]=4 614 B13R1.541 NC(=O)[C@@H]1C[C@H](CN1C(=O)CO)O 240690a_100020587027_100000210174 [0,1,0,1,0,0|2,0,0]=4 615 B13R1.541 NC(=O)[C@@H]1C[C@H](CN1C(=O)CO)O 527a_100020587027_100000210174 [0,1,0,1,0,0|2,0,0]=4 616 B13R1.2875 CC1(OC(=O)[C@H](O1)CC(=O)CF)C 1458a_100016176030_100015361967 [0,1,0,1,0,0|2,0,0]=4 617 B13R1.2875 CCC(=O)C[C@H]1OC(OC1=O)(C)C 1458a_100016176030_100000210202 [0,1,0,1,0,0|2,0,0]=4 618 B13R1.2875 CNC(=O)C[C@H]1OC(OC1=O)(C)C 11a_106832991635_100016176030 [0,1,0,1,0,0|2,0,0]=4 619 B13R1.2875 CNC(=O)C[C@H]1OC(OC1=O)(C)C 1626a_100102657272_100016176030 [0,1,0,1,0,0|2,0,0]=4 620 B13R1.4619 COC(=O)[C@H](CC1CC1)NC(=O)C 188690a_200134616747_100015343762 [0,1,0,1,0,0|0,0,0]=2 621 B13R1.10373 CC(=O)NC1CC(OC1(C)C)(C)C 11a_100000697755_100015343762 [0,1,0,1,0,0|1,0,1]=4 622 B13R1.10373 CC(=O)NC1CC(OC1(C)C)(C)C 1626a_100000697755_100015343762 [0,1,0,1,0,0|1,0,1]=4 623 B13R1.10373 CC(=O)NC1CC(OC1(C)C)(C)C 240690a_100000697755_100015343762 [0,1,0,1,0,0|1,0,1]=4 624 B13R1.10373 CC(=O)NC1CC(OC1(C)C)(C)C 527a_100000697755_100103153847 [0,1,0,1,0,0|1,0,1]=4 625 B13R1.8851 CC(C)(C)CC(NC1CC1)C(=O)O 269956a_100000691758_100000211595 [0,1,0,1,0,0|1,0,1]=4 626 B13R1.8851 CC(C)(F)C[C@H](NC1CC1)C(=O)O 269956a_100016039316_100000211595 [0,1,0,1,0,0|1,0,1]=4 627 B9R0.33 CC(C)[C@@H](NCF)C(=O)O 269956a_100000745019_100015361967 [1,0,0,0,1,0|1,0,1]=4 628 B9R0.33 CCNC(C(=O)O)C(C)O 269956a_100000185852_100000210202 [1,0,0,0,1,0|1,0,1]=4 629 B9R0.33 CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210202 [1,0,0,0,1,0|0,0,1]=3 630 B9R0.33 CCSC(C(=O)C)C(=O)C 62a_100000210202_100000210371 [1,0,0,0,1,0|2,0,0]=4 631 B9R0.33 CCSC(C(=O)C)C(=O)C 62a_100000210371_100000210202 [1,0,0,0,1,0|2,0,0]=4 632 B9R0.54 CC(=O)C(C(=O)N)C(C)C 1458a_100000070787_100000230017 [0,0,0,0,2,0|1,0,0]=3 633 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)C 269956a_100015941355_200000210301 [0,0,0,0,2,0|2,0,0]=4 634 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)[13CH3] 269956a_100015941355_200025704644 [0,0,0,0,2,0|2,0,0]=4 635 B11R0.146 C=C(C)CN[C@@H](CCC)C(=O)N 2230a_100000729256_100000748629 [1,0,0,0,0,1|2,0,0]=4 636 B11R0.146 C=C(C)CN[C@@H](CCC)C(=O)N 34a_100000729256_100000748629 [1,0,0,0,0,1|2,0,0]=4 637 B11R0.146 C=C(C)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000748629 [1,0,0,0,0,1|1,0,0]=3 638 B11R0.146 C=C(C)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100000748629 [1,0,0,0,0,1|2,0,0]=4 639 B11R0.146 C=C(C)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000748629 [1,0,0,0,0,1|2,0,0]=4 640 B11R0.146 C=C(C)CN[C@H](COC)C(=O)O 269956a_100011998655_100000748629 [1,0,0,0,0,1|2,0,0]=4 641 B11R0.146 C=C(F)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000042424 [1,0,0,0,0,1|1,0,1]=4 642 B11R0.146 CCC[C@H](NCC(=O)N)C(=O)N 2230a_100000729256_100000747473 [1,0,0,0,0,1|2,0,0]=4 643 B11R0.146 CCC[C@H](NCC(=O)N)C(=O)N 34a_100000729256_100000187820 [1,0,0,0,0,1|2,0,0]=4 644 B11R0.146 CCC[C@H](NCC(=O)N)C(=O)O 269956a_100000750406_100000187820 [1,0,0,0,0,1|1,0,0]=3 645 B11R0.146 CCC[C@H](NCC(=O)[O-])C(=O)N 34a_100000729256_100020667443 [1,0,0,0,0,1|2,0,0]=4 646 B11R0.146 CCC[C@H](NCC(=O)[O-])C(=O)O 269956a_100000750406_100020667443 [1,0,0,0,0,1|1,0,0]=3 647 B11R0.146 CCC[C@H](NCC(C)C)C(=O)O 269956a_100000750406_100000210760 [1,0,0,0,0,1|1,0,1]=4 648 B11R0.146 CCC[C@H](NCC(C)O)C(=O)O 269956a_100000750406_100011218427 [1,0,0,0,0,1|0,0,2]=4 649 B11R0.146 CCC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000750406_100009817552 [1,0,0,0,0,1|0,0,2]=4 650 B11R0.146 CCC[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000750406_100000761209 [1,0,0,0,0,1|2,0,0]=4 651 B11R0.146 CCNC(CC=C(C)C)C(=O)O 269956a_100102631519_100000210202 [1,0,0,0,0,1|0,0,2]=4 652 B11R0.146 CCNC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000210202 [1,0,0,0,0,1|1,0,1]=4 653 B11R0.146 COC[C@@H](NCC(=O)N)C(=O)O 269956a_100011998655_100000187820 [1,0,0,0,0,1|2,0,0]=4 654 B11R0.146 COC[C@@H](NCC(=O)[O-])C(=O)O 269956a_100011998655_100020667443 [1,0,0,0,0,1|2,0,0]=4 655 B11R0.146 COC[C@@H](NCC(C)C)C(=O)O 269956a_100011998655_100000210760 [1,0,0,0,0,1|2,0,0]=4 656 B11R0.146 CSC[C@H](NCC(=O)N)C(=O)O 269956a_100011421858_100000187820 [1,0,0,0,0,1|2,0,0]=4 657 B11R0.146 CSC[C@H](NCC(=O)[O-])C(=O)O 269956a_100011421858_100020667443 [1,0,0,0,0,1|2,0,0]=4 658 B11R0.146 CSC[C@H](NCC(C)C)C(=O)O 269956a_100011421858_100000210760 [1,0,0,0,0,1|2,0,0]=4 659 B11R0.146 C[Se]C[C@H](NCC(=O)N)C(=O)O 269956a_100015254316_100000187820 [1,0,0,0,0,1|2,0,0]=4 660 B11R0.146 C[Se]C[C@H](NCC(=O)[O-])C(=O)O 269956a_100015254316_100020667443 [1,0,0,0,0,1|2,0,0]=4 661 B11R0.146 C[Se]C[C@H](NCC(C)C)C(=O)O 269956a_100015254316_100000210760 [1,0,0,0,0,1|2,0,0]=4 662 B11R0.143 C=C(C)CN[C@H](CO)CC(C)C 2230a_100011830311_100000748629 [1,0,0,0,0,1|1,0,1]=4 663 B11R0.143 C=C(C)CN[C@H](CO)CC(C)C 34a_100011830311_100000748629 [1,0,0,0,0,1|1,0,1]=4 664 B11R0.143 CC(=O)NCC(CO)CC(C)C 240690a_200000723437_100015343762 [1,0,0,0,0,1|0,0,1]=3 665 B11R0.143 CC(=O)NCC(CO)CC(C)C 527a_200000723437_100103153847 [1,0,0,0,0,1|0,0,1]=3 666 B11R0.143 CC(C)C[C@@H](CO)NCC(=O)N 2230a_100011830311_100000747473 [1,0,0,0,0,1|1,0,1]=4 667 B11R0.143 CC(C)C[C@@H](CO)NCC(=O)N 34a_100011830311_100000187820 [1,0,0,0,0,1|1,0,1]=4 668 B11R0.143 CC(C)C[C@@H](CO)NCC(=O)[O-] 34a_100011830311_100020667443 [1,0,0,0,0,1|1,0,1]=4 669 B11R0.28 C=C(C)CNC(C(=O)O)C(C)O 269956a_100000185852_100000748629 [0,0,0,0,1,1|2,0,0]=4 670 B11R0.28 C=C(C)CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000748629 [0,0,0,0,1,1|1,0,0]=3 671 B11R0.28 C=C(F)CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000042424 [0,0,0,0,1,1|1,0,1]=4 672 B11R0.28 CC(=O)C(SCC(C)C)C(=O)C 62a_100000210371_100000210760 [0,0,0,0,1,1|1,0,0]=3 673 B11R0.28 CC(=O)C(SCC(C)C)C(=O)C 62a_100000210624_100000210371 [0,0,0,0,1,1|1,0,0]=3 674 B11R0.28 CC(=O)C(SCC(C)O)C(=O)C 62a_100000210371_100011218427 [0,0,0,0,1,1|2,0,0]=4 675 B11R0.28 CC(=O)C(SCC(C)O)C(=O)C 62a_100011218427_100000210371 [0,0,0,0,1,1|2,0,0]=4 676 B11R0.28 CC(=O)C(SC[C@@H](C)O)C(=O)C 62a_100000210371_100009817552 [0,0,0,0,1,1|2,0,0]=4 677 B11R0.28 CC(=O)C(SC[C@@H](C)O)C(=O)C 62a_100009817552_100000210371 [0,0,0,0,1,1|2,0,0]=4 678 B11R0.28 CC(=O)COC(C(=O)N)C(C)C 34a_100000211253_100000230017 [0,0,0,0,1,1|2,0,0]=4 679 B11R0.28 CC(C)CNC(C(=O)N)C(=O)N 2230a_100000025885_100000210760 [0,0,0,0,1,1|2,0,0]=4 680 B11R0.28 CC(C)CNC(C(=O)N)C(=O)N 270004a_100000025885_100000210432 [0,0,0,0,1,1|2,0,0]=4 681 B11R0.28 CC(C)CNC(C(=O)O)C(C)O 269956a_100000185852_100000210760 [0,0,0,0,1,1|0,0,2]=4 682 B11R0.28 CC(C)CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210760 [0,0,0,0,1,1|1,0,1]=4 683 B11R0.28 CC(C)[C@@H](NCC(=O)N)C(=O)O 269956a_100000745019_100000187820 [0,0,0,0,1,1|1,0,0]=3 684 B11R0.28 CC(C)[C@@H](NCC(=O)[O-])C(=O)O 269956a_100000745019_100020667443 [0,0,0,0,1,1|1,0,0]=3 685 B11R0.28 CC(C)[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100000745019_100009817552 [0,0,0,0,1,1|0,0,2]=4 686 B11R0.28 CC(C)[C@@H](NC[N+](=O)[O-])C(=O)O 269956a_100000745019_100000761209 [0,0,0,0,1,1|2,0,0]=4 687 B11R0.28 CC(O)C(NCC(=O)N)C(=O)O 269956a_100000185852_100000187820 [0,0,0,0,1,1|2,0,0]=4 688 B11R0.28 CC(O)C(NCC(=O)[O-])C(=O)O 269956a_100000185852_100020667443 [0,0,0,0,1,1|2,0,0]=4 689 B11R0.28 CC(O)CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100011218427 [0,0,0,0,1,1|0,0,2]=4 690 B13R0.177 CC(=O)NC[C@@H](CN(C)C)OC(=O)C 2230a_100102631434_100016989752 [0,0,0,0,0,2|2,0,0]=4 691 B13R0.177 CC(=O)NC[C@@H](CN(C)C)OC(=O)C 269982a_100102631434_100016989752 [0,0,0,0,0,2|2,0,0]=4 692 B13R0.53 C=C(C)CNC(CC=C(C)C)C(=O)O 269956a_100102631519_100000748629 [0,0,0,0,0,2|1,0,1]=4 693 B13R0.53 C=C(C)CNC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000748629 [0,0,0,0,0,2|2,0,0]=4 694 B13R0.53 CC(=CCC(NCC(=O)N)C(=O)O)C 269956a_100102631519_100000187820 [0,0,0,0,0,2|1,0,1]=4 695 B13R0.53 CC(=CCC(NCC(=O)[O-])C(=O)O)C 269956a_100102631519_100020667443 [0,0,0,0,0,2|1,0,1]=4 696 B13R0.53 CC(=CCC(NCC(C)C)C(=O)O)C 269956a_100102631519_100000210760 [0,0,0,0,0,2|2,0,0]=4 697 B13R0.53 CC(C)CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210760 [0,0,0,0,0,2|2,0,0]=4 698 B13R0.53 C[S+](C)CCC(NCC(=O)N)C(=O)O 269956a_100000210779_100000187820 [0,0,0,0,0,2|2,0,0]=4 699 B13R0.53 C[S+](C)CCC(NCC(=O)[O-])C(=O)O 269956a_100000210779_100020667443 [0,0,0,0,0,2|2,0,0]=4 700 B13R0.443 C=C(C)CCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000730704 [0,0,0,0,0,2|2,0,0]=4 701 B13R0.443 C=C(C)CCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000730704 [0,0,0,0,0,2|2,0,0]=4 702 B13R0.443 CC(=CCN[C@@H](CC(C)C)C(=O)N)C 2230a_100016989234_100000761012 [0,0,0,0,0,2|2,0,0]=4 703 B13R0.443 CC(=CCN[C@@H](CC(C)C)C(=O)N)C 34a_100016989234_100000761012 [0,0,0,0,0,2|2,0,0]=4 704 B13R0.443 CC(=O)CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000053229 [0,0,0,0,0,2|2,0,0]=4 705 B13R0.443 CC(=O)OCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100009813279 [0,0,0,0,0,2|1,0,0]=3 706 B13R0.443 CC(=O)OCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000076356 [0,0,0,0,0,2|2,0,0]=4 707 B13R0.443 CC(C)CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210312 [0,0,0,0,0,2|2,0,0]=4 708 B13R0.443 CC(C)C[C@H](NCCC(=O)N)C(=O)N 2230a_100016989234_100000744528 [0,0,0,0,0,2|2,0,0]=4 709 B13R0.443 CC(C)C[C@H](NCCC(=O)N)C(=O)N 34a_100016989234_100000731001 [0,0,0,0,0,2|2,0,0]=4 710 B13R0.443 CC(C)OCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000709892 [0,0,0,0,0,2|2,0,0]=4