0 B9R0.39 C=C[C@H](NC(C)C)C(=O)O 269956a_100016992060_100000210206 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.39 CC(=O)NC(C#N)C(=O)N 1626a_100000039599_100015343762 [0,0,0,0,0,0|2,0,1]=3 2 B9R0.39 CC(=O)NC(CO)C(=O)C 1458a_200011194110_200000210301 [0,0,0,0,0,0|1,1,0]=2 3 B9R0.39 CC(=O)NC(CO)C(=O)[13CH3] 1458a_200011194110_200025704644 [0,0,0,0,0,0|1,1,0]=2 4 B9R0.39 CC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100015343762 [0,0,0,0,0,0|1,1,0]=2 5 B9R0.39 CC(=O)N[C@@H](CO)C(C)C 240690a_100011830312_100015343762 [0,0,0,0,0,0|2,1,1]=4 6 B9R0.39 CC(=O)N[C@@H](CO)C(C)C 527a_100011830312_100103153847 [0,0,0,0,0,0|2,1,1]=4 7 B9R0.39 CC(=O)N[C@H](CO)[C@@H](C)O 240690a_100015196842_100015343762 [0,0,0,0,0,0|1,1,1]=3 8 B9R0.39 CC(=O)N[C@H](CO)[C@@H](C)O 527a_100015196842_100103153847 [0,0,0,0,0,0|1,1,1]=3 9 B9R0.39 CC(C)NC(CO)C(=O)O 269956a_100000187304_100000210206 [0,0,0,0,0,0|1,1,1]=3 10 B9R0.39 CC(C)N[C@@H](CO)C(=O)N 2230a_100000729942_100000210206 [0,0,0,0,0,0|2,1,1]=4 11 B9R0.39 CC(C)N[C@@H](CO)C(=O)N 34a_100000729942_100000210206 [0,0,0,0,0,0|2,1,1]=4 12 B9R0.39 CCC(NC(=O)C)C(=O)C 1458a_100000195128_200000210301 [0,0,0,0,0,0|2,0,0]=2 13 B9R0.39 CCC(NC(=O)C)C(=O)N 11a_100000733705_100015343762 [0,0,0,0,0,0|2,0,0]=2 14 B9R0.39 CCC(NC(=O)C)C(=O)N 1626a_100000733705_100015343762 [0,0,0,0,0,0|2,0,0]=2 15 B9R0.39 CCC(NC(=O)C)C(=O)N 240690a_100000733705_100015343762 [0,0,0,0,0,0|2,0,0]=2 16 B9R0.39 CCC(NC(=O)C)C(=O)N 527a_100000733705_100103153847 [0,0,0,0,0,0|2,0,0]=2 17 B9R0.39 CCC(NC(=O)C)C(=O)[13CH3] 1458a_100000195128_200025704644 [0,0,0,0,0,0|2,0,0]=2 18 B9R0.39 CCC(NC(=O)C)C(C)C 11a_100000745074_100015343762 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.39 CCC(NC(=O)C)C(C)C 1626a_100000745074_100015343762 [0,0,0,0,0,0|3,0,1]=4 20 B9R0.39 CCC(NC(=O)C)C(C)C 240690a_100000745074_100015343762 [0,0,0,0,0,0|3,0,1]=4 21 B9R0.39 CCC(NC(=O)C)C(C)C 527a_100000745074_100103153847 [0,0,0,0,0,0|3,0,1]=4 22 B9R0.39 CCC(NC(=O)N)C(=O)C 1458a_100000203762_200000210301 [0,0,0,0,0,0|3,0,0]=3 23 B9R0.39 CCC(NC(=O)N)C(=O)[13CH3] 1458a_100000203762_200025704644 [0,0,0,0,0,0|3,0,0]=3 24 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100000733705_100000210206 [0,0,0,0,0,0|3,0,1]=4 25 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100138425928_100000750255 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100000733705_100000210206 [0,0,0,0,0,0|3,0,1]=4 27 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100138425928_100000750255 [0,0,0,0,0,0|3,0,1]=4 28 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [0,0,0,0,0,0|2,0,1]=3 29 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 11a_100161114882_100015343762 [0,0,0,0,0,0|2,0,1]=3 30 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 1626a_100161114882_100015343762 [0,0,0,0,0,0|2,0,1]=3 31 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 240690a_100161114882_100015343762 [0,0,0,0,0,0|2,0,1]=3 32 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 527a_100161114882_100103153847 [0,0,0,0,0,0|2,0,1]=3 33 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [0,0,0,0,0,0|4,0,0]=4 34 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [0,0,0,0,0,0|4,0,0]=4 35 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [1,0,0,0,0,0|1,0,2]=4 36 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [1,0,0,0,0,0|2,0,1]=4 37 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [1,0,0,0,0,0|0,1,1]=3 40 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [1,0,0,0,0,0|1,1,1]=4 41 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [1,0,0,0,0,0|1,1,1]=4 42 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [1,0,0,0,0,0|1,0,1]=3 43 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [1,0,0,0,0,0|2,0,1]=4 44 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [1,0,0,0,0,0|1,1,1]=4 45 B8R0.16 C=C[C@@H](CO)NC(=O)C 240690a_100016989147_100015343762 [1,0,0,0,0,0|1,1,0]=3 46 B8R0.16 C=C[C@@H](CO)NC(=O)C 527a_100016989147_100103153847 [1,0,0,0,0,0|1,1,0]=3 47 B8R0.16 CC(=O)NC(CO)CO 240690a_100000759517_100015343762 [1,0,0,0,0,0|0,1,1]=3 48 B8R0.16 CC(=O)NC(CO)CO 527a_100000759517_100103153847 [1,0,0,0,0,0|0,1,1]=3 49 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [1,0,0,0,0,0|2,0,1]=4 52 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [1,0,0,0,0,0|2,0,1]=4 53 B8R0.16 CC[C@@H](CO)NC(=O)C 240690a_100000709445_100015343762 [1,0,0,0,0,0|1,0,1]=3 54 B8R0.16 CC[C@@H](CO)NC(=O)C 527a_100000709445_100103153847 [1,0,0,0,0,0|1,0,1]=3 55 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [1,0,0,0,0,0|3,0,0]=4 57 B8R0.23 CC(=O)CN(C)C(=O)N 1458a_100000218718_200000210301 [1,0,0,0,0,0|3,0,0]=4 58 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [1,0,0,0,0,0|3,0,0]=4 59 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [1,0,0,0,0,0|2,0,1]=4 60 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [1,0,0,0,0,0|2,0,1]=4 61 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [1,0,0,0,0,0|2,0,1]=4 62 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [1,0,0,0,0,0|2,0,1]=4 63 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [1,0,0,0,0,0|1,0,0]=2 64 B8R0.23 CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100015343762 [1,0,0,0,0,0|1,0,0]=2 65 B8R0.23 CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100015343762 [1,0,0,0,0,0|1,0,0]=2 66 B8R0.23 CC(=O)N[C@H](C)C(=O)N 527a_100000119354_100103153847 [1,0,0,0,0,0|1,0,0]=2 67 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [1,0,0,0,0,0|1,0,0]=2 68 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [1,0,0,0,0,0|2,0,0]=3 69 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [1,0,0,0,0,0|2,0,0]=3 70 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [1,0,0,0,0,0|2,0,0]=3 71 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [1,0,0,0,0,0|2,0,1]=4 72 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [1,0,0,0,0,0|2,0,1]=4 73 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [1,0,0,0,0,0|1,0,1]=3 74 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [1,0,0,0,0,0|2,0,1]=4 75 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [1,0,0,0,0,0|2,0,1]=4 76 B8R0.23 CN(CC(=O)[13CH3])C(=O)N 1458a_100000218718_200025704644 [1,0,0,0,0,0|3,0,0]=4 77 B10R0.23 C=CCC(NC(=O)C)C(=O)C 1458a_100000741017_200000210301 [0,1,0,0,0,0|2,0,0]=3 78 B10R0.23 C=CCC(NC(=O)C)C(=O)[13CH3] 1458a_100000741017_200025704644 [0,1,0,0,0,0|2,0,0]=3 79 B10R0.23 CCC[C@H](NC(=O)C)C(=O)C 1458a_100011995990_200000210301 [0,1,0,0,0,0|2,0,0]=3 80 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 11a_100000729256_100015343762 [0,1,0,0,0,0|2,0,0]=3 81 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 1626a_100000729256_100015343762 [0,1,0,0,0,0|2,0,0]=3 82 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 240690a_100000729256_100015343762 [0,1,0,0,0,0|2,0,0]=3 83 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 527a_100000729256_100103153847 [0,1,0,0,0,0|2,0,0]=3 84 B10R0.23 CCC[C@H](NC(=O)C)C(=O)[13CH3] 1458a_100011995990_200025704644 [0,1,0,0,0,0|2,0,0]=3 85 B10R0.23 CCC[C@H](NC(C)C)C(=O)O 269956a_100000750406_100000210206 [0,1,0,0,0,0|2,0,1]=4 86 B10R0.23 CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210202 [0,1,0,0,0,0|3,0,0]=4 87 B10R0.23 COCC(NC(=O)C)C(=O)C 1458a_200012277492_200000210301 [0,1,0,0,0,0|1,1,0]=3 88 B10R0.23 COCC(NC(=O)C)C(=O)[13CH3] 1458a_200012277492_200025704644 [0,1,0,0,0,0|1,1,0]=3 89 B10R0.23 COC[C@@H](NC(C)C)C(=O)O 269956a_100011998655_100000210206 [0,1,0,0,0,0|1,1,1]=4 90 B10R0.23 CS(=O)C[C@H](NCF)C(=O)O 269956a_100009817418_100015361967 [0,1,0,0,0,0|3,0,0]=4 91 B10R0.23 CSC[C@H](NC(C)C)C(=O)O 269956a_100011421858_100000210206 [0,1,0,0,0,0|1,0,1]=3 92 B10R0.23 C[Se]C[C@H](NC(C)C)C(=O)O 269956a_100015254316_100000210206 [0,1,0,0,0,0|1,1,1]=4 93 B10R0.53 C#CC(C)NC(CO)C(=O)O 269956a_100000187304_200000035995 [0,1,0,0,0,0|1,1,1]=4 94 B10R0.53 C#CC(C)N[C@H](CC)C(=O)O 269956a_100000747097_200000035995 [0,1,0,0,0,0|2,0,1]=4 95 B10R0.53 C=CC(=O)NC(CC)C(=O)N 1626a_100000733705_100000185746 [0,1,0,0,0,0|2,0,1]=4 96 B10R0.53 C=CC(=O)NC(CC)C(=O)N 240690a_100000733705_200121576911 [0,1,0,0,0,0|2,0,1]=4 97 B10R0.53 C=CC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_200121576911 [0,1,0,0,0,0|1,1,1]=4 98 B10R0.53 C=CC(C)NC(CO)C(=O)O 269956a_100000187304_100011215867 [0,1,0,0,0,0|1,1,1]=4 99 B10R0.53 C=CC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100011215867 [0,1,0,0,0,0|2,0,1]=4 100 B10R0.53 CC(C#N)NC(CO)C(=O)O 269956a_100000187304_100000184139 [0,1,0,0,0,0|1,1,1]=4 101 B10R0.53 CCC(=O)NC(C#N)C(=O)N 1626a_100000039599_100000210414 [0,1,0,0,0,0|2,0,1]=4 102 B10R0.53 CCC(=O)NC(CC)C(=O)N 11a_100000733705_100000210414 [0,1,0,0,0,0|2,0,0]=3 103 B10R0.53 CCC(=O)NC(CC)C(=O)N 1626a_100000733705_100000210414 [0,1,0,0,0,0|2,0,0]=3 104 B10R0.53 CCC(=O)NC(CC)C(=O)N 240690a_100000733705_100000210414 [0,1,0,0,0,0|2,0,0]=3 105 B10R0.53 CCC(=O)NC(CC)C(=O)N 527a_100000733705_100000210414 [0,1,0,0,0,0|2,0,0]=3 106 B10R0.53 CCC(=O)N[C@@H](CC)[C@@H](C)O 11a_100161114882_100000210414 [0,1,0,0,0,0|2,0,1]=4 107 B10R0.53 CCC(=O)N[C@@H](CC)[C@@H](C)O 1626a_100161114882_100000210414 [0,1,0,0,0,0|2,0,1]=4 108 B10R0.53 CCC(=O)N[C@@H](CC)[C@@H](C)O 240690a_100161114882_100000210414 [0,1,0,0,0,0|2,0,1]=4 109 B10R0.53 CCC(=O)N[C@@H](CC)[C@@H](C)O 527a_100161114882_100000210414 [0,1,0,0,0,0|2,0,1]=4 110 B10R0.53 CCC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100000210414 [0,1,0,0,0,0|1,1,0]=3 111 B10R0.53 CCC(=O)N[C@H](CO)[C@@H](C)O 240690a_100015196842_100000210414 [0,1,0,0,0,0|1,1,1]=4 112 B10R0.53 CCC(=O)N[C@H](CO)[C@@H](C)O 527a_100015196842_100000210414 [0,1,0,0,0,0|1,1,1]=4 113 B10R0.53 CCC(C)NC(CO)C(=O)O 269956a_100000187304_100000758301 [0,1,0,0,0,0|1,1,1]=4 114 B10R0.53 CCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000758301 [0,1,0,0,0,0|2,0,1]=4 115 B10R0.53 CCC(NC(=O)CO)C(=O)N 240690a_100000733705_100000210174 [0,1,0,0,0,0|2,0,0]=3 116 B10R0.53 CCC(NC(=O)CO)C(=O)N 527a_100000733705_100000210174 [0,1,0,0,0,0|2,0,0]=3 117 B10R0.53 CCC(NC(=O)NC)C(=O)N 2708a_100102657272_100000733705 [0,1,0,0,0,0|2,0,0]=3 118 B10R0.53 CCC(NC(=O)NC)C(=O)N 273464a_100000733705_100102657272 [0,1,0,0,0,0|2,0,0]=3 119 B10R0.53 CCC(NC(=O)NC)C(=O)N 273464a_100102657272_100000733705 [0,1,0,0,0,0|2,0,0]=3 120 B10R0.53 CCC(NC(=O)NC)C(=O)N 512a_100000733705_100102657272 [0,1,0,0,0,0|2,0,0]=3 121 B10R0.53 CC[C@@H](NC(C)C#N)C(=O)O 269956a_100000747097_100000184139 [0,1,0,0,0,0|2,0,1]=4 122 B10R0.53 CC[C@@H](NC(C)OC)C(=O)O 269956a_100000747097_100009879195 [0,1,0,0,0,0|1,0,2]=4 123 B10R0.53 CC[C@@H](N[C@H](C)CO)C(=O)O 269956a_100000747097_100016084084 [0,1,0,0,0,0|1,0,2]=4 124 B10R0.53 CC[C@H](NC(=O)CO)[C@@H](C)O 240690a_100161114882_100000210174 [0,1,0,0,0,0|2,0,1]=4 125 B10R0.53 CC[C@H](NC(=O)CO)[C@@H](C)O 527a_100161114882_100000210174 [0,1,0,0,0,0|2,0,1]=4 126 B10R0.53 CC[C@H](NC(=O)NC)[C@@H](C)O 2708a_100102657272_100161114882 [0,1,0,0,0,0|2,0,1]=4 127 B10R0.53 CC[C@H](NC(=O)NC)[C@@H](C)O 512a_100161114882_100102657272 [0,1,0,0,0,0|2,0,1]=4 128 B10R0.53 CC[C@H](NC(=O)NC)[C@@H](C)O 512a_106832991638_100161114882 [0,1,0,0,0,0|2,0,1]=4 129 B10R0.53 CNC(=O)NC(C#N)C(=O)N 273464a_100000039599_100102657272 [0,1,0,0,0,0|2,0,1]=4 130 B10R0.53 CNC(=O)NC(C#N)C(=O)N 273464a_100102657272_100000039599 [0,1,0,0,0,0|2,0,1]=4 131 B10R0.53 CNC(=O)NC(C#N)C(=O)N 512a_106832991638_100000039599 [0,1,0,0,0,0|2,0,1]=4 132 B10R0.53 CNC(=O)N[C@@H](CO)C(=O)N 273464a_100000729942_100102657272 [0,1,0,0,0,0|1,1,0]=3 133 B10R0.53 CNC(=O)N[C@@H](CO)C(=O)N 273464a_100102657272_100000729942 [0,1,0,0,0,0|1,1,0]=3 134 B10R0.53 CNC(=O)N[C@H](CO)[C@@H](C)O 2708a_100102657272_100015196842 [0,1,0,0,0,0|1,1,1]=4 135 B10R0.53 CNC(=O)N[C@H](CO)[C@@H](C)O 512a_100015196842_100102657272 [0,1,0,0,0,0|1,1,1]=4 136 B10R0.53 CNC(=O)N[C@H](CO)[C@@H](C)O 512a_106832991638_100015196842 [0,1,0,0,0,0|1,1,1]=4 137 B10R0.53 COC(C)NC(CO)C(=O)O 269956a_100000187304_100009879195 [0,1,0,0,0,0|0,1,2]=4 138 B10R0.53 C[C@@H](O)[C@@H](CO)NC(=O)CO 240690a_100015196842_100000210174 [0,1,0,0,0,0|1,1,1]=4 139 B10R0.53 C[C@@H](O)[C@@H](CO)NC(=O)CO 527a_100015196842_100000210174 [0,1,0,0,0,0|1,1,1]=4 140 B10R0.53 C[C@H](CO)NC(CO)C(=O)O 269956a_100000187304_100016084084 [0,1,0,0,0,0|0,1,2]=4 141 B10R0.53 NC(=O)[C@H](CO)NC(=O)CO 240690a_100000729942_100000210174 [0,1,0,0,0,0|1,1,0]=3 142 B10R0.54 CC(=O)NC(CO)C(=O)CF 1458a_200011194110_100015361967 [0,1,0,0,0,0|1,1,0]=3 143 B10R0.54 CCC(=O)C(CC)NC(=O)C 1458a_100000195128_100000210202 [0,1,0,0,0,0|2,0,0]=3 144 B10R0.54 CCC(=O)C(CC)NC(=O)N 1458a_100000203762_100000210202 [0,1,0,0,0,0|3,0,0]=4 145 B10R0.54 CCC(=O)C(CO)NC(=O)C 1458a_200011194110_100000210202 [0,1,0,0,0,0|1,1,0]=3 146 B10R0.54 CCC(NC(=O)C)C(=O)CF 1458a_100000195128_100015361967 [0,1,0,0,0,0|2,0,0]=3 147 B10R0.54 CCC(NC(=O)C)C(=O)NC 11a_106832991635_100000195128 [0,1,0,0,0,0|2,0,0]=3 148 B10R0.54 CCC(NC(=O)C)C(=O)NC 1626a_100102657272_100000195128 [0,1,0,0,0,0|2,0,0]=3 149 B10R0.54 CCC(NC(=O)C)C(=O)NC 240690a_100102657272_100000195128 [0,1,0,0,0,0|2,0,0]=3 150 B10R0.54 CCC(NC(=O)C)C(=O)NC 527a_100102657272_100000195128 [0,1,0,0,0,0|2,0,0]=3 151 B10R0.54 CCC(NC(=O)N)C(=O)CF 1458a_100000203762_100015361967 [0,1,0,0,0,0|3,0,0]=4 152 B10R0.54 CCC(NC(=O)N)C(=O)NC 240690a_100102657272_100000203762 [0,1,0,0,0,0|3,0,0]=4 153 B10R0.54 CCC(NC(C)C)C(=O)OC 2230a_100138425928_100000235869 [0,1,0,0,0,0|2,0,1]=4 154 B10R0.54 CCC(NC(C)C)C(=O)OC 34a_100138425928_100000235869 [0,1,0,0,0,0|2,0,1]=4 155 B10R0.54 CC[C@@H](NC(=O)C)C(=O)OC 188690a_100020627782_100015343762 [0,1,0,0,0,0|1,0,0]=2 156 B10R0.54 CC[C@H](NC(=O)C)C(=O)NC 11a_106657271573_100015343762 [0,1,0,0,0,0|2,0,0]=3 157 B10R0.54 CC[C@H](NC(=O)C)C(=O)NC 1626a_106657271573_100015343762 [0,1,0,0,0,0|2,0,0]=3 158 B10R0.54 CC[C@H](NC(=O)C)C(=O)NC 240690a_106657271573_100015343762 [0,1,0,0,0,0|2,0,0]=3 159 B10R0.54 CC[C@H](NC(=O)C)C(=O)NC 527a_106657271573_100103153847 [0,1,0,0,0,0|2,0,0]=3 160 B10R0.54 CNC(=O)C(CO)NC(=O)C 240690a_100102657272_200011194110 [0,1,0,0,0,0|1,1,0]=3 161 B10R0.54 COC(=O)C(CO)NC(C)C 34a_100138425928_100012276630 [0,1,0,0,0,0|1,1,1]=4 162 B10R0.54 COC(=O)[C@@H](CO)NC(=O)C 188690a_100000003586_100015343762 [0,1,0,0,0,0|0,1,0]=2 163 B10R0.76 CC(C)N(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210206 [0,1,0,0,0,0|1,1,1]=4 164 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 11a_103436537554_100015343762 [0,1,0,0,0,0|2,0,0]=3 165 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 1626a_103436537554_100015343762 [0,1,0,0,0,0|2,0,0]=3 166 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 240690a_103436537554_100015343762 [0,1,0,0,0,0|2,0,0]=3 167 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 527a_103436537554_100103153847 [0,1,0,0,0,0|2,0,0]=3 168 B10R0.95 CC(C)(C)NC(CO)C(=O)O 269956a_100000187304_100000211941 [0,1,0,0,0,0|1,1,1]=4 169 B10R0.95 CCC(NS(=O)(=O)C)C(=O)N 40a_100000733705_100000738038 [0,1,0,0,0,0|3,0,0]=4 170 B10R0.95 CC[C@@H](NC(C)(C)C)C(=O)O 269956a_100000747097_100000211941 [0,1,0,0,0,0|2,0,1]=4 171 B10R0.95 CS(=O)(=O)N[C@@H](CO)C(=O)N 40a_100000729942_100000738038 [0,1,0,0,0,0|2,1,0]=4 172 B10R0.119 CCC(C)(NC(C)C)C(=O)O 269956a_100025756313_100000210206 [0,1,0,0,0,0|2,0,1]=4 173 B10R0.162 CC(=O)NC(C(=O)N)C(=O)N 11a_100000025885_100015343762 [0,1,0,0,0,0|1,1,1]=4 174 B10R0.162 CC(=O)NC(C(=O)N)C(=O)N 1626a_100000025885_100015343762 [0,1,0,0,0,0|1,1,1]=4 175 B10R0.162 CC(=O)NC(C(=O)N)C(=O)N 240690a_100000025885_100015343762 [0,1,0,0,0,0|1,1,1]=4 176 B10R0.162 CC(=O)NC(C(=O)N)C(=O)N 527a_100000025885_100103153847 [0,1,0,0,0,0|1,1,1]=4 177 B10R0.162 CC(=O)N[C@H](C(=O)C)C(C)C 1458a_100011416799_200000210301 [0,1,0,0,0,0|2,0,0]=3 178 B10R0.162 CC(=O)N[C@H](C(=O)C)[C@@H](C)O 1458a_100012017110_200000210301 [0,1,0,0,0,0|1,1,0]=3 179 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 11a_100000119348_100015343762 [0,1,0,0,0,0|2,0,0]=3 180 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 1626a_100000119348_100015343762 [0,1,0,0,0,0|2,0,0]=3 181 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 240690a_100000119348_100015343762 [0,1,0,0,0,0|2,0,0]=3 182 B10R0.162 CC(=O)N[C@H](C(=O)N)C(C)C 527a_100000119348_100103153847 [0,1,0,0,0,0|2,0,0]=3 183 B10R0.162 CC(=O)N[C@H](C(=O)N)[C@@H](C)O 11a_100000003557_100015343762 [0,1,0,0,0,0|1,1,0]=3 184 B10R0.162 CC(=O)N[C@H](C(=O)N)[C@@H](C)O 240690a_100000003557_100015343762 [0,1,0,0,0,0|1,1,0]=3 185 B10R0.162 CC(=O)N[C@H](C(=O)N)[C@@H](C)O 527a_100000003557_100103153847 [0,1,0,0,0,0|1,1,0]=3 186 B10R0.162 CC(=O)N[C@H](C(=O)[13CH3])C(C)C 1458a_100011416799_200025704644 [0,1,0,0,0,0|2,0,0]=3 187 B10R0.162 CC(=O)N[C@H](C(=O)[13CH3])[C@@H](C)O 1458a_100012017110_200025704644 [0,1,0,0,0,0|1,1,0]=3 188 B10R0.162 CC(=O)O[C@@H](C(=O)C)C(C)C 1458a_100016231877_200000210301 [0,1,0,0,0,0|3,0,0]=4 189 B10R0.162 CC(=O)O[C@@H](C(=O)[13CH3])C(C)C 1458a_100016231877_200025704644 [0,1,0,0,0,0|3,0,0]=4 190 B10R0.162 CC(C)NC(C(=O)O)C(C)O 269956a_100000185852_100000210206 [0,1,0,0,0,0|1,1,1]=4 191 B10R0.162 CC(C)N[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210206 [0,1,0,0,0,0|2,0,1]=4 192 B10R1.64 CC(=O)CN1CCOC1=O 1458a_100011227918_200000210301 [0,0,0,1,0,0|3,0,0]=4 193 B10R1.64 CC(=O)CN1CSCC1=O 1458a_100000008433_200000210301 [0,0,0,1,0,0|3,0,0]=4 194 B10R1.64 CC(=O)NC1CCNC1=O 11a_100016995588_100015343762 [0,0,0,1,0,0|2,0,0]=3 195 B10R1.64 CC(=O)NC1CCNC1=O 1626a_100016995588_100015343762 [0,0,0,1,0,0|2,0,0]=3 196 B10R1.64 CC(=O)NC1CCNC1=O 240690a_100016995588_100015343762 [0,0,0,1,0,0|2,0,0]=3 197 B10R1.64 CC(=O)NC1CCNC1=O 527a_100016995588_100103153847 [0,0,0,1,0,0|2,0,0]=3 198 B10R1.64 CC(=O)NC1CCSC1=O 11a_100000184058_100015343762 [0,0,0,1,0,0|1,1,0]=3 199 B10R1.64 CC(=O)NC1CCSC1=O 1626a_100000184058_100015343762 [0,0,0,1,0,0|1,1,0]=3 200 B10R1.64 CC(=O)NC1CCSC1=O 240690a_100000184058_100015343762 [0,0,0,1,0,0|1,1,0]=3 201 B10R1.64 CC(=O)NC1CCSC1=O 527a_100000184058_100103153847 [0,0,0,1,0,0|1,1,0]=3 202 B10R1.64 CC(=O)N[C@@H]1CONC1=O 11a_100000765999_100015343762 [0,0,0,1,0,0|1,1,0]=3 203 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [0,0,0,1,0,0|2,0,1]=4 204 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [0,0,0,1,0,0|2,0,1]=4 205 B10R1.64 CC(=O)N[C@H]1COC[C@@H]1O 11a_100015191717_100015343762 [0,0,0,1,0,0|1,1,1]=4 206 B10R1.64 CC(=O)N[C@H]1COC[C@@H]1O 240690a_100015191717_100015343762 [0,0,0,1,0,0|1,1,1]=4 207 B10R1.64 CC(=O)N[C@H]1COC[C@@H]1O 527a_100015191717_100103153847 [0,0,0,1,0,0|1,1,1]=4 208 B10R1.64 CC(C)NC1CCOC1=O 2230a_100138425928_100000211211 [0,0,0,1,0,0|2,0,1]=4 209 B10R1.64 CC(C)NC1CCOC1=O 34a_100138425928_100000211211 [0,0,0,1,0,0|2,0,1]=4 210 B10R1.64 [13CH3]C(=O)CN1CCOC1=O 1458a_100011227918_200025704644 [0,0,0,1,0,0|3,0,0]=4 211 B10R1.64 [13CH3]C(=O)CN1CSCC1=O 1458a_100000008433_200025704644 [0,0,0,1,0,0|3,0,0]=4 212 B10R1.113 CC(=O)C1CSCC(=O)N1 1458a_100000045068_200000210301 [0,0,0,1,0,0|1,0,0]=2 213 B10R1.113 CC(=O)[C@@H]1CCN=C(N1)C 1458a_100015271614_200000210301 [0,0,0,1,0,0|3,0,0]=4 214 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,0,0,1,0,0|2,0,0]=3 215 B10R1.113 CC1=NCC[C@H](N1)C(=O)[13CH3] 1458a_100015271614_200025704644 [0,0,0,1,0,0|3,0,0]=4 216 B10R1.113 [13CH3]C(=O)C1CSCC(=O)N1 1458a_100000045068_200025704644 [0,0,0,1,0,0|1,0,0]=2 217 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,0,0,1,0,0|2,0,0]=3 218 B10R1.361 CC(=O)N1CC[C@H]1C(=O)[13CH3] 1458a_200015362969_200025704644 [0,0,0,1,0,0|2,0,0]=3 219 B10R1.361 CC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_200000210301 [0,0,0,1,0,0|2,0,0]=3 220 B10R1.361 CC(C)N1CCC1C(=O)O 269956a_100000021838_100000210206 [0,0,0,1,0,0|2,0,1]=4 221 B10R1.442 CC(=O)NC1(CC1)C(=O)C 1458a_100012027092_200000210301 [0,0,0,1,0,0|2,0,0]=3 222 B10R1.442 CC(=O)NC1(CC1)C(=O)N 11a_100000687655_100015343762 [0,0,0,1,0,0|2,0,0]=3 223 B10R1.442 CC(=O)NC1(CC1)C(=O)N 240690a_100000687655_100015343762 [0,0,0,1,0,0|2,0,0]=3 224 B10R1.442 CC(=O)NC1(CC1)C(=O)N 527a_100000687655_100103153847 [0,0,0,1,0,0|2,0,0]=3 225 B10R1.442 CC(=O)NC1(CC1)C(=O)[13CH3] 1458a_100012027092_200025704644 [0,0,0,1,0,0|2,0,0]=3 226 B10R1.442 CC(C)NC1(CC1)C(=O)O 269956a_100000746478_100000210206 [0,0,0,1,0,0|2,0,1]=4 227 B10R1.469 CC[C@@H](NC1CC1)C(=O)O 269956a_100000747097_100000211595 [0,0,0,1,0,0|2,0,1]=4 228 B10R1.469 O=C(O)C(CO)NC1CC1 269956a_100000187304_100000211595 [0,0,0,1,0,0|1,1,1]=4 229 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_100000210371_200025704644 [0,0,0,0,1,0|3,0,0]=4 230 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000210371 [0,0,0,0,1,0|3,0,0]=4 231 B8R0.18 CCC(C(=O)C)C(=O)N 1458a_100000070787_100000750255 [0,0,0,0,1,0|2,0,0]=3 232 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [0,0,0,0,1,0|2,1,0]=4 233 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [0,0,0,0,1,0|2,1,0]=4 234 B8R0.18 CSC(C(=O)C)C(=O)C 62a_100000210371_200000210301 [0,0,0,0,1,0|3,0,0]=4 235 B8R0.18 CSC(C(=O)C)C(=O)C 62a_200000210301_100000210371 [0,0,0,0,1,0|3,0,0]=4 236 B10R0.70 CC(C)N[C@H](CO)CC(=O)O 269956a_100009816507_100000210206 [0,0,0,0,0,1|1,1,1]=4 237 B10R0.70 CC[C@H](CC(=O)O)NC(C)C 269956a_100016995926_100000210206 [0,0,0,0,0,1|2,0,1]=4 238 B10R0.84 C=C(C)CNC(CC)C(=O)N 2230a_100000733705_100000748629 [0,0,0,0,0,1|3,0,0]=4 239 B10R0.84 C=C(C)CNC(CC)C(=O)N 34a_100000733705_100000748629 [0,0,0,0,0,1|3,0,0]=4 240 B10R0.84 C=C(C)CNC(CO)C(=O)O 269956a_100000187304_100000748629 [0,0,0,0,0,1|1,1,0]=3 241 B10R0.84 C=C(C)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000748629 [0,0,0,0,0,1|2,1,0]=4 242 B10R0.84 C=C(C)CN[C@@H](CO)C(=O)N 34a_100000729942_100000748629 [0,0,0,0,0,1|2,1,0]=4 243 B10R0.84 C=C(C)CN[C@H](CC)C(=O)O 269956a_100000747097_100000748629 [0,0,0,0,0,1|2,0,0]=3 244 B10R0.84 C=C(F)CNC(CO)C(=O)O 269956a_100000187304_100000042424 [0,0,0,0,0,1|1,1,1]=4 245 B10R0.84 C=C(F)CN[C@H](CC)C(=O)O 269956a_100000747097_100000042424 [0,0,0,0,0,1|2,0,1]=4 246 B10R0.84 C=C[C@H](NCC(=C)C)C(=O)O 269956a_100016992060_100000748629 [0,0,0,0,0,1|2,0,1]=4 247 B10R0.84 C=C[C@H](NCC(=O)N)C(=O)O 269956a_100016992060_100000187820 [0,0,0,0,0,1|2,0,1]=4 248 B10R0.84 C=C[C@H](NCC(=O)[O-])C(=O)O 269956a_100016992060_100020667443 [0,0,0,0,0,1|2,0,1]=4 249 B10R0.84 CC(C)CNC(CO)C(=O)O 269956a_100000187304_100000210760 [0,0,0,0,0,1|1,1,1]=4 250 B10R0.84 CC(O)CNC(CO)C(=O)O 269956a_100000187304_100011218427 [0,0,0,0,0,1|0,1,2]=4 251 B10R0.84 CCC(NCC(=O)N)C(=O)N 2230a_100000711301_100000750255 [0,0,0,0,0,1|3,0,0]=4 252 B10R0.84 CCC(NCC(=O)N)C(=O)N 2230a_100000733705_100000747473 [0,0,0,0,0,1|3,0,0]=4 253 B10R0.84 CCC(NCC(=O)N)C(=O)N 34a_100000733705_100000187820 [0,0,0,0,0,1|3,0,0]=4 254 B10R0.84 CCC(NCC(=O)O)C(=O)N 269956a_100016091260_200011216081 [0,0,0,0,0,1|3,0,0]=4 255 B10R0.84 CCC(NCC(=O)[O-])C(=O)N 34a_100000733705_100020667443 [0,0,0,0,0,1|3,0,0]=4 256 B10R0.84 CCC(OCC(=O)C)C(=O)N 34a_100000211253_100000750255 [0,0,0,0,0,1|3,0,0]=4 257 B10R0.84 CC[C@@H](NCC(=O)N)C(=O)O 269956a_100000747097_100000187820 [0,0,0,0,0,1|2,0,0]=3 258 B10R0.84 CC[C@@H](NCC(=O)[O-])C(=O)O 269956a_100000747097_100020667443 [0,0,0,0,0,1|2,0,0]=3 259 B10R0.84 CC[C@@H](NCC(C)C)C(=O)O 269956a_100000747097_100000210760 [0,0,0,0,0,1|2,0,1]=4 260 B10R0.84 CC[C@@H](NCC(C)O)C(=O)O 269956a_100000747097_100011218427 [0,0,0,0,0,1|1,0,2]=4 261 B10R0.84 CC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100000747097_100009817552 [0,0,0,0,0,1|1,0,2]=4 262 B10R0.84 CC[C@@H](NC[N+](=O)[O-])C(=O)O 269956a_100000747097_100000761209 [0,0,0,0,0,1|3,0,0]=4 263 B10R0.84 C[C@@H](O)CNC(CO)C(=O)O 269956a_100000187304_100009817552 [0,0,0,0,0,1|0,1,2]=4 264 B10R0.84 NC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000187820 [0,0,0,0,0,1|1,1,0]=3 265 B10R0.84 NC(=O)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000747473 [0,0,0,0,0,1|2,1,0]=4 266 B10R0.84 NC(=O)CN[C@@H](CO)C(=O)N 34a_100000729942_100000187820 [0,0,0,0,0,1|2,1,0]=4 267 B10R0.84 NC(=O)[C@H](CO)NCC(=O)[O-] 34a_100000729942_100020667443 [0,0,0,0,0,1|2,1,0]=4 268 B10R0.84 O=C(O)C(CO)NC[N+](=O)[O-] 269956a_100000187304_100000761209 [0,0,0,0,0,1|2,1,0]=4 269 B10R0.84 O=C([O-])CNC(CO)C(=O)O 269956a_100000187304_100020667443 [0,0,0,0,0,1|1,1,0]=3 270 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [2,0,0,0,0,0|2,0,0]=4 271 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [2,0,0,0,0,0|1,0,1]=4 272 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [2,0,0,0,0,0|1,0,1]=4 273 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [2,0,0,0,0,0|0,0,1]=3 274 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [2,0,0,0,0,0|1,0,1]=4 275 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [2,0,0,0,0,0|1,0,1]=4 276 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [2,0,0,0,0,0|2,0,0]=4 277 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [2,0,0,0,0,0|1,0,1]=4 278 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [2,0,0,0,0,0|1,0,1]=4 279 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [2,0,0,0,0,0|1,0,1]=4 280 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [2,0,0,0,0,0|2,0,0]=4 281 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [2,0,0,0,0,0|2,0,0]=4 282 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [2,0,0,0,0,0|2,0,0]=4 283 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [2,0,0,0,0,0|2,0,0]=4 284 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [2,0,0,0,0,0|2,0,0]=4 285 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [2,0,0,0,0,0|2,0,0]=4 286 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [2,0,0,0,0,0|2,0,0]=4 287 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [2,0,0,0,0,0|1,0,0]=3 288 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [2,0,0,0,0,0|1,0,0]=3 289 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [2,0,0,0,0,0|0,1,0]=3 290 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [2,0,0,0,0,0|1,1,0]=4 291 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [2,0,0,0,0,0|1,1,0]=4 292 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [2,0,0,0,0,0|0,1,0]=3 293 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [2,0,0,0,0,0|1,1,0]=4 294 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [2,0,0,0,0,0|1,1,0]=4 295 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [2,0,0,0,0,0|1,0,1]=4 296 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [2,0,0,0,0,0|1,0,1]=4 297 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [2,0,0,0,0,0|1,0,1]=4 298 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [2,0,0,0,0,0|1,0,1]=4 299 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [2,0,0,0,0,0|2,0,0]=4 300 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [2,0,0,0,0,0|2,0,0]=4 301 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [2,0,0,0,0,0|1,0,1]=4 302 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [2,0,0,0,0,0|1,0,1]=4 303 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [2,0,0,0,0,0|1,0,1]=4 304 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [2,0,0,0,0,0|1,0,1]=4 305 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [2,0,0,0,0,0|1,0,1]=4 306 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [2,0,0,0,0,0|1,0,1]=4 307 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [2,0,0,0,0,0|1,0,1]=4 308 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [2,0,0,0,0,0|1,0,1]=4 309 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [2,0,0,0,0,0|0,0,1]=3 310 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [2,0,0,0,0,0|0,0,1]=3 311 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [2,0,0,0,0,0|1,0,1]=4 312 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [2,0,0,0,0,0|1,0,1]=4 313 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [2,0,0,0,0,0|1,0,1]=4 314 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [2,0,0,0,0,0|1,0,1]=4 315 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [2,0,0,0,0,0|2,0,0]=4 316 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [2,0,0,0,0,0|2,0,0]=4 317 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [2,0,0,0,0,0|2,0,0]=4 318 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [2,0,0,0,0,0|2,0,0]=4 319 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [2,0,0,0,0,0|2,0,0]=4 320 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [2,0,0,0,0,0|2,0,0]=4 321 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [2,0,0,0,0,0|2,0,0]=4 322 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [2,0,0,0,0,0|2,0,0]=4 323 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [2,0,0,0,0,0|1,0,0]=3 324 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [2,0,0,0,0,0|2,0,0]=4 325 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [2,0,0,0,0,0|2,0,0]=4 326 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [2,0,0,0,0,0|2,0,0]=4 327 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [2,0,0,0,0,0|1,0,0]=3 328 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [2,0,0,0,0,0|1,0,0]=3 329 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [2,0,0,0,0,0|1,0,0]=3 330 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [2,0,0,0,0,0|1,0,0]=3 331 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [2,0,0,0,0,0|1,0,1]=4 332 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [2,0,0,0,0,0|1,0,1]=4 333 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [2,0,0,0,0,0|1,0,1]=4 334 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [2,0,0,0,0,0|2,0,0]=4 335 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [2,0,0,0,0,0|2,0,0]=4 336 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [2,0,0,0,0,0|2,0,0]=4 337 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [2,0,0,0,0,0|1,0,1]=4 338 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [2,0,0,0,0,0|2,0,0]=4 339 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [2,0,0,0,0,0|2,0,0]=4 340 B9R0.12 CCNC(CC)C(=O)OC 2230a_100015525214_100000235869 [1,1,0,0,0,0|1,0,1]=4 341 B9R0.13 C=CCNC(CO)C(=O)O 269956a_100000187304_100000210623 [1,1,0,0,0,0|0,1,1]=4 342 B9R0.13 C=CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210623 [1,1,0,0,0,0|1,0,1]=4 343 B9R0.13 C=C[C@H](NCC=O)C(=O)O 269956a_100016992060_200015260668 [1,1,0,0,0,0|1,0,1]=4 344 B9R0.13 CCC(NCC=O)C(=O)N 2230a_100000733705_200015260668 [1,1,0,0,0,0|2,0,0]=4 345 B9R0.13 CCC(NCC=O)C(=O)N 34a_100000733705_200009817547 [1,1,0,0,0,0|2,0,0]=4 346 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [1,1,0,0,0,0|0,1,1]=4 347 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [1,1,0,0,0,0|1,0,1]=4 348 B9R0.13 CC[C@@H](NCC=O)C(=O)O 269956a_100000747097_200015260668 [1,1,0,0,0,0|1,0,0]=3 349 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [1,1,0,0,0,0|1,0,1]=4 350 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [1,1,0,0,0,0|1,0,1]=4 351 B9R0.13 CC[C@@H](NCOC)C(=O)O 269956a_100000747097_100000766300 [1,1,0,0,0,0|1,0,1]=4 352 B9R0.13 CC[C@@H](NCSC)C(=O)O 269956a_100000747097_100011218213 [1,1,0,0,0,0|1,0,1]=4 353 B9R0.13 COCNC(CO)C(=O)O 269956a_100000187304_100000766300 [1,1,0,0,0,0|0,1,1]=4 354 B9R0.13 CSCNC(CO)C(=O)O 269956a_100000187304_100011218213 [1,1,0,0,0,0|0,1,1]=4 355 B9R0.13 NC(=O)[C@H](CO)NCC=O 2230a_100000729942_200015260668 [1,1,0,0,0,0|1,1,0]=4 356 B9R0.13 NC(=O)[C@H](CO)NCC=O 34a_100000729942_200009817547 [1,1,0,0,0,0|1,1,0]=4 357 B9R0.13 O=C(O)C(CO)NCCF 269956a_100000187304_100011217306 [1,1,0,0,0,0|0,1,1]=4 358 B9R0.13 O=C(O)C(CO)NCCO 269956a_100000187304_100000211926 [1,1,0,0,0,0|0,1,1]=4 359 B9R0.13 O=CCNC(CO)C(=O)O 269956a_100000187304_200015260668 [1,1,0,0,0,0|0,1,0]=3 360 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [1,1,0,0,0,0|1,0,1]=4 361 B9R0.15 CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210202 [1,1,0,0,0,0|0,0,1]=3 362 B9R0.15 CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210202 [1,1,0,0,0,0|0,1,1]=4 363 B9R0.15 CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210202 [1,1,0,0,0,0|0,1,1]=4 364 B9R0.15 CSC[C@H](NCF)C(=O)O 269956a_100011421858_100015361967 [1,1,0,0,0,0|1,0,1]=4 365 B9R0.29 CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210202 [1,1,0,0,0,0|0,1,1]=4 366 B9R0.33 CCNC(C(=O)O)C(C)O 269956a_100000185852_100000210202 [1,1,0,0,0,0|0,1,1]=4 367 B9R0.33 CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210202 [1,1,0,0,0,0|1,0,1]=4 368 B9R0.74 CCNC(C)(CC)C(=O)O 269956a_100025756313_100000210202 [1,1,0,0,0,0|1,0,1]=4 369 B9R0.14 C=CC[C@H](CO)NC(=O)C 240690a_100020615467_100015343762 [1,1,0,0,0,0|1,0,1]=4 370 B9R0.14 C=CC[C@H](CO)NC(=O)C 527a_100020615467_100103153847 [1,1,0,0,0,0|1,0,1]=4 371 B9R0.14 CCC(COC)NC(=O)C 11a_100000757820_100015343762 [1,1,0,0,0,0|1,0,1]=4 372 B9R0.14 CCC(COC)NC(=O)C 1626a_100000757820_100015343762 [1,1,0,0,0,0|1,0,1]=4 373 B9R0.14 CCC(COC)NC(=O)C 240690a_100000757820_100015343762 [1,1,0,0,0,0|1,0,1]=4 374 B9R0.14 CCC(COC)NC(=O)C 527a_100000757820_100103153847 [1,1,0,0,0,0|1,0,1]=4 375 B9R0.14 CCC[C@@H](CO)NC(=O)C 240690a_100000732646_100015343762 [1,1,0,0,0,0|1,0,1]=4 376 B9R0.14 CCC[C@@H](CO)NC(=O)C 527a_100000732646_100103153847 [1,1,0,0,0,0|1,0,1]=4 377 B9R0.14 COCC(CO)NC(=O)C 240690a_100000724102_100015343762 [1,1,0,0,0,0|0,1,1]=4 378 B9R0.14 COCC(CO)NC(=O)C 527a_100000724102_100103153847 [1,1,0,0,0,0|0,1,1]=4 379 B9R0.26 C=C[C@@H](CO)NC(=O)CC 240690a_100016989147_100000210414 [1,1,0,0,0,0|1,1,0]=4 380 B9R0.26 C=C[C@@H](CO)NC(=O)CC 527a_100016989147_100000210414 [1,1,0,0,0,0|1,1,0]=4 381 B9R0.26 C=C[C@@H](CO)NC(=O)CO 240690a_100016989147_100000210174 [1,1,0,0,0,0|1,1,0]=4 382 B9R0.26 C=C[C@@H](CO)NC(=O)CO 527a_100016989147_100000210174 [1,1,0,0,0,0|1,1,0]=4 383 B9R0.26 C=C[C@@H](CO)NC(=O)NC 2708a_100102657272_100016989147 [1,1,0,0,0,0|1,1,0]=4 384 B9R0.26 C=C[C@@H](CO)NC(=O)NC 273464a_100016989147_100102657272 [1,1,0,0,0,0|1,1,0]=4 385 B9R0.26 C=C[C@@H](CO)NC(=O)NC 273464a_100102657272_100016989147 [1,1,0,0,0,0|1,1,0]=4 386 B9R0.26 C=C[C@@H](CO)NC(=O)NC 512a_106832991638_100016989147 [1,1,0,0,0,0|1,1,0]=4 387 B9R0.26 CCC(=O)NC(CO)CO 240690a_100000759517_100000210414 [1,1,0,0,0,0|0,1,1]=4 388 B9R0.26 CCC(=O)NC(CO)CO 527a_100000759517_100000210414 [1,1,0,0,0,0|0,1,1]=4 389 B9R0.26 CCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000210414 [1,1,0,0,0,0|1,0,1]=4 390 B9R0.26 CCC(=O)N[C@@H](CC)CO 527a_100000709445_100000210414 [1,1,0,0,0,0|1,0,1]=4 391 B9R0.26 CC[C@@H](CO)NC(=O)CO 240690a_100000709445_100000210174 [1,1,0,0,0,0|1,0,1]=4 392 B9R0.26 CC[C@@H](CO)NC(=O)CO 527a_100000709445_100000210174 [1,1,0,0,0,0|1,0,1]=4 393 B9R0.26 CC[C@@H](CO)NC(=O)NC 2708a_100102657272_100000709445 [1,1,0,0,0,0|1,0,1]=4 394 B9R0.26 CC[C@@H](CO)NC(=O)NC 273464a_100000709445_100102657272 [1,1,0,0,0,0|1,0,1]=4 395 B9R0.26 CC[C@@H](CO)NC(=O)NC 273464a_100102657272_100000709445 [1,1,0,0,0,0|1,0,1]=4 396 B9R0.26 CC[C@@H](CO)NC(=O)NC 512a_100000709445_100102657272 [1,1,0,0,0,0|1,0,1]=4 397 B9R0.26 CC[C@@H](CO)NC(=O)NC 512a_106832991638_100000709445 [1,1,0,0,0,0|1,0,1]=4 398 B9R0.26 CNC(=O)NC(CO)CO 2708a_100102657272_100000759517 [1,1,0,0,0,0|0,1,1]=4 399 B9R0.26 CNC(=O)NC(CO)CO 273464a_100000759517_100102657272 [1,1,0,0,0,0|0,1,1]=4 400 B9R0.26 CNC(=O)NC(CO)CO 273464a_100102657272_100000759517 [1,1,0,0,0,0|0,1,1]=4 401 B9R0.26 CNC(=O)NC(CO)CO 512a_106832991638_100000759517 [1,1,0,0,0,0|0,1,1]=4 402 B9R0.26 O=C(CO)NC(CO)CO 240690a_100000759517_100000210174 [1,1,0,0,0,0|0,1,1]=4 403 B9R0.26 O=C(CO)NC(CO)CO 527a_100000759517_100000210174 [1,1,0,0,0,0|0,1,1]=4 404 B9R0.63 CC(=O)NC(C)(CO)CO 240690a_100000764395_100015343762 [1,1,0,0,0,0|0,1,1]=4 405 B9R0.63 CC(=O)NC(C)(CO)CO 527a_100000764395_100103153847 [1,1,0,0,0,0|0,1,1]=4 406 B9R0.63 CCC(C)(CO)NC(=O)C 240690a_100000747662_100015343762 [1,1,0,0,0,0|1,0,1]=4 407 B9R0.63 CCC(C)(CO)NC(=O)C 527a_100000747662_100103153847 [1,1,0,0,0,0|1,0,1]=4 408 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100015343762 [1,1,0,0,0,0|1,0,1]=4 409 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100015343762 [1,1,0,0,0,0|1,0,1]=4 410 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 240690a_100025708725_100015343762 [1,1,0,0,0,0|1,0,1]=4 411 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 527a_100025708725_100103153847 [1,1,0,0,0,0|1,0,1]=4 412 B9R0.11 CC(=O)NC(C)(C)C(=O)C 1458a_100000750020_200000210301 [1,1,0,0,0,0|1,0,0]=3 413 B9R0.11 CC(=O)NC(C)(C)C(=O)N 11a_100000743658_100015343762 [1,1,0,0,0,0|1,0,0]=3 414 B9R0.11 CC(=O)NC(C)(C)C(=O)N 240690a_100000743658_100015343762 [1,1,0,0,0,0|1,0,0]=3 415 B9R0.11 CC(=O)NC(C)(C)C(=O)N 527a_100000743658_100103153847 [1,1,0,0,0,0|1,0,0]=3 416 B9R0.11 CC(=O)NC(C)(C)C(=O)[13CH3] 1458a_100000750020_200025704644 [1,1,0,0,0,0|1,0,0]=3 417 B9R0.11 CC(=O)OC(C)(C)C(=O)C 1458a_200000137501_200000210301 [1,1,0,0,0,0|2,0,0]=4 418 B9R0.11 CC(=O)OC(C)(C)C(=O)[13CH3] 1458a_200000137501_200025704644 [1,1,0,0,0,0|2,0,0]=4 419 B9R0.23 C#CC(=O)C(C)OC(=O)C 1458a_100000211873_100009818208 [1,1,0,0,0,0|2,0,0]=4 420 B9R0.23 C=CC(=O)C(C)OC(=O)C 1458a_100000185746_100009818208 [1,1,0,0,0,0|2,0,0]=4 421 B9R0.23 CC(=O)N[C@H](C)C(=O)CF 1458a_100011504603_100015361967 [1,1,0,0,0,0|1,0,0]=3 422 B9R0.23 CC(=O)OC(C)C(=O)CO 1458a_100000210174_100009818208 [1,1,0,0,0,0|1,0,0]=3 423 B9R0.23 CC(=O)O[C@@H](C)C(=O)CF 1458a_100009816467_100015361967 [1,1,0,0,0,0|2,0,0]=4 424 B9R0.23 CCC(=O)C(C)OC(=O)C 1458a_100000210414_100009818208 [1,1,0,0,0,0|2,0,0]=4 425 B9R0.23 CCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210202 [1,1,0,0,0,0|1,0,0]=3 426 B9R0.23 CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210202 [1,1,0,0,0,0|2,0,0]=4 427 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 11a_100000684985_100015343762 [1,1,0,0,0,0|1,0,0]=3 428 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 11a_106832991635_100011504603 [1,1,0,0,0,0|1,0,0]=3 429 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 1626a_100102657272_100011504603 [1,1,0,0,0,0|1,0,0]=3 430 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 240690a_100000684985_100015343762 [1,1,0,0,0,0|1,0,0]=3 431 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 240690a_100102657272_100011504603 [1,1,0,0,0,0|1,0,0]=3 432 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 527a_100000684985_100103153847 [1,1,0,0,0,0|1,0,0]=3 433 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 527a_100102657272_100011504603 [1,1,0,0,0,0|1,0,0]=3 434 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 11a_106832991635_100009816467 [1,1,0,0,0,0|2,0,0]=4 435 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 1626a_100102657272_100009816467 [1,1,0,0,0,0|2,0,0]=4 436 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 240690a_100102657272_100009816467 [1,1,0,0,0,0|2,0,0]=4 437 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 527a_100102657272_100009816467 [1,1,0,0,0,0|2,0,0]=4 438 B9R0.23 COC(=O)C(C)NC(C)C 2230a_100138425928_100000211248 [1,1,0,0,0,0|1,0,1]=4 439 B9R0.23 COC(=O)C(C)NC(C)C 34a_100138425928_100000211248 [1,1,0,0,0,0|1,0,1]=4 440 B9R0.23 COC(=O)[C@@H](C)NC(=O)C 188690a_100000687819_100015343762 [1,1,0,0,0,0|0,0,0]=2 441 B9R0.42 C#CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200000035995 [1,1,0,0,0,0|1,0,1]=4 442 B9R0.42 C=CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_200121576911 [1,1,0,0,0,0|1,0,1]=4 443 B9R0.42 C=CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011215867 [1,1,0,0,0,0|1,0,1]=4 444 B9R0.42 CC(C#N)N[C@@H](C)C(=O)O 269956a_100000743915_100000184139 [1,1,0,0,0,0|1,0,1]=4 445 B9R0.42 CCC(=O)NC(C)C(=O)C 1458a_100000194823_200000210301 [1,1,0,0,0,0|1,0,0]=3 446 B9R0.42 CCC(=O)NC(C)C(=O)[13CH3] 1458a_100000194823_200025704644 [1,1,0,0,0,0|1,0,0]=3 447 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210414 [1,1,0,0,0,0|1,0,0]=3 448 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210414 [1,1,0,0,0,0|1,0,0]=3 449 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210414 [1,1,0,0,0,0|1,0,0]=3 450 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [1,1,0,0,0,0|1,0,1]=4 451 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 273464a_100000119354_100102657272 [1,1,0,0,0,0|1,0,0]=3 452 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 273464a_100102657272_100000119354 [1,1,0,0,0,0|1,0,0]=3 453 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 512a_100000119354_100102657272 [1,1,0,0,0,0|1,0,0]=3 454 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 512a_106832991638_100000119354 [1,1,0,0,0,0|1,0,0]=3 455 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [1,1,0,0,0,0|2,0,0]=4 456 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [1,1,0,0,0,0|2,0,0]=4 457 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [1,1,0,0,0,0|0,0,2]=4 458 B9R0.42 C[C@@H](NC(=O)CO)C(=O)N 240690a_100000119354_100000210174 [1,1,0,0,0,0|1,0,0]=3 459 B9R0.42 C[C@@H](NC(=O)CO)C(=O)N 527a_100000119354_100000210174 [1,1,0,0,0,0|1,0,0]=3 460 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [1,1,0,0,0,0|0,0,2]=4 461 B9R0.57 C[C@@H](NS(=O)(=O)C)C(=O)N 40a_100000119354_100000738038 [1,1,0,0,0,0|2,0,0]=4 462 B9R0.57 C[C@H](NC(C)(C)C)C(=O)O 269956a_100000743915_100000211941 [1,1,0,0,0,0|1,0,1]=4 463 B9R0.79 CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000210206 [1,1,0,0,0,0|1,0,1]=4 464 B9R0.54 CC(=O)C(C(=O)N)C(C)C 1458a_100000070787_100000230017 [0,1,0,0,1,0|2,0,0]=4 465 B11R0.28 C=C(C)CNC(C(=O)O)C(C)O 269956a_100000185852_100000748629 [0,1,0,0,0,1|1,1,0]=4 466 B11R0.28 C=C(C)CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000748629 [0,1,0,0,0,1|2,0,0]=4 467 B11R0.28 CC(C)[C@@H](NCC(=O)N)C(=O)O 269956a_100000745019_100000187820 [0,1,0,0,0,1|2,0,0]=4 468 B11R0.28 CC(C)[C@@H](NCC(=O)[O-])C(=O)O 269956a_100000745019_100020667443 [0,1,0,0,0,1|2,0,0]=4 469 B11R0.28 CC(O)C(NCC(=O)N)C(=O)O 269956a_100000185852_100000187820 [0,1,0,0,0,1|1,1,0]=4 470 B11R0.28 CC(O)C(NCC(=O)[O-])C(=O)O 269956a_100000185852_100020667443 [0,1,0,0,0,1|1,1,0]=4 471 B11R0.90 C=C[C@H](NCC(=O)CC)C(=O)O 269956a_100016992060_100000747405 [0,1,0,0,0,1|1,0,1]=4 472 B11R0.90 C=C[C@H](NCC(=O)NC)C(=O)O 269956a_100016992060_100000183359 [0,1,0,0,0,1|1,0,1]=4 473 B11R0.90 C=C[C@H](NCC(=O)OC)C(=O)O 269956a_100016992060_100000747449 [0,1,0,0,0,1|1,0,1]=4 474 B11R0.90 CCC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000747405 [0,1,0,0,0,1|0,1,0]=3 475 B11R0.90 CCC(=O)CN[C@H](CC)C(=O)O 269956a_100000747097_100000747405 [0,1,0,0,0,1|1,0,0]=3 476 B11R0.90 CCC(NCC(=O)NC)C(=O)N 2230a_100000693194_100000750255 [0,1,0,0,0,1|2,0,0]=4 477 B11R0.90 CCC(NCC(=O)NC)C(=O)N 2230a_100000733705_100000183359 [0,1,0,0,0,1|2,0,0]=4 478 B11R0.90 CCC(NCC(=O)NC)C(=O)N 34a_100000733705_100000183359 [0,1,0,0,0,1|2,0,0]=4 479 B11R0.90 CCC(NCC(=O)OC)C(=O)N 2230a_100000733705_100000747449 [0,1,0,0,0,1|2,0,0]=4 480 B11R0.90 CCC(NCC(=O)OC)C(=O)N 34a_100000733705_100000747449 [0,1,0,0,0,1|2,0,0]=4 481 B11R0.90 CC[C@@H](NCC(=O)NC)C(=O)O 269956a_100000747097_100000183359 [0,1,0,0,0,1|1,0,0]=3 482 B11R0.90 CC[C@@H](NCC(=O)OC)C(=O)O 269956a_100000747097_100000747449 [0,1,0,0,0,1|1,0,0]=3 483 B11R0.90 CNC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000183359 [0,1,0,0,0,1|0,1,0]=3 484 B11R0.90 CNC(=O)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000183359 [0,1,0,0,0,1|1,1,0]=4 485 B11R0.90 CNC(=O)CN[C@@H](CO)C(=O)N 34a_100000729942_100000183359 [0,1,0,0,0,1|1,1,0]=4 486 B11R0.90 COC(=O)CNC(CO)C(=O)O 269956a_100000187304_100000747449 [0,1,0,0,0,1|0,1,0]=3 487 B11R0.90 COC(=O)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000747449 [0,1,0,0,0,1|1,1,0]=4 488 B11R0.90 COC(=O)CN[C@@H](CO)C(=O)N 34a_100000729942_100000747449 [0,1,0,0,0,1|1,1,0]=4 489 B11R0.118 CCC(=NNC(=O)C)C(=O)OC 4a_100000189765_100000688641 [0,1,0,0,0,1|1,0,1]=4 490 B11R0.118 CCC(NCC(=O)N)C(=O)OC 2230a_100000711301_100000235869 [0,1,0,0,0,1|2,0,0]=4 491 B11R0.118 CCC(OCC(=O)C)C(=O)OC 34a_100000211253_100000235869 [0,1,0,0,0,1|2,0,0]=4 492 B11R0.118 COC(=O)C(CO)OCC(=O)C 34a_100000211253_100012276630 [0,1,0,0,0,1|1,1,0]=4 493 B11R0.146 C=C(C)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000748629 [0,1,0,0,0,1|2,0,0]=4 494 B11R0.146 C=C(C)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100000748629 [0,1,0,0,0,1|1,0,0]=3 495 B11R0.146 C=C(C)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000748629 [0,1,0,0,0,1|1,1,0]=4 496 B11R0.146 C=C(C)CN[C@H](COC)C(=O)O 269956a_100011998655_100000748629 [0,1,0,0,0,1|1,1,0]=4 497 B11R0.146 C=C(F)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100000042424 [0,1,0,0,0,1|1,0,1]=4 498 B11R0.146 CCC[C@H](NCC(=O)N)C(=O)O 269956a_100000750406_100000187820 [0,1,0,0,0,1|2,0,0]=4 499 B11R0.146 CCC[C@H](NCC(=O)[O-])C(=O)O 269956a_100000750406_100020667443 [0,1,0,0,0,1|2,0,0]=4 500 B11R0.146 COC[C@@H](NCC(=O)N)C(=O)O 269956a_100011998655_100000187820 [0,1,0,0,0,1|1,1,0]=4 501 B11R0.146 COC[C@@H](NCC(=O)[O-])C(=O)O 269956a_100011998655_100020667443 [0,1,0,0,0,1|1,1,0]=4 502 B11R0.146 CSC[C@H](NCC(=O)N)C(=O)O 269956a_100011421858_100000187820 [0,1,0,0,0,1|1,0,0]=3 503 B11R0.146 CSC[C@H](NCC(=O)[O-])C(=O)O 269956a_100011421858_100020667443 [0,1,0,0,0,1|1,0,0]=3 504 B11R0.146 CSC[C@H](NCC(C)C)C(=O)O 269956a_100011421858_100000210760 [0,1,0,0,0,1|1,0,1]=4 505 B11R0.146 CSC[C@H](NCC(C)O)C(=O)O 269956a_100011421858_100011218427 [0,1,0,0,0,1|0,0,2]=4 506 B11R0.146 CSC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100011421858_100009817552 [0,1,0,0,0,1|0,0,2]=4 507 B11R0.146 CSC[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100011421858_100000761209 [0,1,0,0,0,1|2,0,0]=4 508 B11R0.146 C[Se]C[C@H](NCC(=O)N)C(=O)O 269956a_100015254316_100000187820 [0,1,0,0,0,1|1,1,0]=4 509 B11R0.146 C[Se]C[C@H](NCC(=O)[O-])C(=O)O 269956a_100015254316_100020667443 [0,1,0,0,0,1|1,1,0]=4 510 B11R0.275 C=C[C@H](NC(C)C(=O)C)C(=O)O 269956a_100016992060_100009814033 [0,1,0,0,0,1|1,0,1]=4 511 B11R0.275 CC(=O)C(C)NC(CO)C(=O)O 269956a_100000187304_100009814033 [0,1,0,0,0,1|0,1,0]=3 512 B11R0.275 CC(=O)C(C)N[C@@H](CO)C(=O)N 2230a_100000729942_100009814033 [0,1,0,0,0,1|1,1,0]=4 513 B11R0.275 CCC(NC(C)C(=O)C)C(=O)N 2230a_100000733705_100009814033 [0,1,0,0,0,1|2,0,0]=4 514 B11R0.275 CC[C@@H](NC(C)C(=O)C)C(=O)O 269956a_100000747097_100009814033 [0,1,0,0,0,1|1,0,0]=3 515 B11R0.282 C=C(C)CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000748629 [0,1,0,0,0,1|1,1,0]=4 516 B11R0.282 CN(CC(=O)N)[C@@H](CO)C(=O)O 269956a_100015362447_100000187820 [0,1,0,0,0,1|1,1,0]=4 517 B11R0.282 CN(CC(=O)[O-])[C@@H](CO)C(=O)O 269956a_100015362447_100020667443 [0,1,0,0,0,1|1,1,0]=4 518 B11R0.371 C=C(C)CNC(C)(CC)C(=O)O 269956a_100025756313_100000748629 [0,1,0,0,0,1|2,0,0]=4 519 B11R0.371 CCC(C)(NCC(=O)N)C(=O)O 269956a_100025756313_100000187820 [0,1,0,0,0,1|2,0,0]=4 520 B11R0.371 CCC(C)(NCC(=O)[O-])C(=O)O 269956a_100025756313_100020667443 [0,1,0,0,0,1|2,0,0]=4 521 B11R0.16 CSC[C@H](NC(C)(C)C)C(=O)O 269956a_100011421858_100000211941 [0,2,0,0,0,0|1,0,1]=4 522 B11R0.39 C#CC[C@H](NC(=O)C)C(=O)OC 188690a_100020627700_100015343762 [0,2,0,0,0,0|1,0,0]=3 523 B11R0.39 C=CCC(NC(=O)C)C(=O)CC 1458a_100000741017_100000210202 [0,2,0,0,0,0|2,0,0]=4 524 B11R0.39 C=CCC(NC(=O)C)C(=O)CF 1458a_100000741017_100015361967 [0,2,0,0,0,0|2,0,0]=4 525 B11R0.39 C=CCC(NC(=O)C)C(=O)NC 11a_106832991635_100000741017 [0,2,0,0,0,0|2,0,0]=4 526 B11R0.39 C=CCC(NC(=O)C)C(=O)NC 1626a_100102657272_100000741017 [0,2,0,0,0,0|2,0,0]=4 527 B11R0.39 C=CCC(NC(=O)C)C(=O)NC 240690a_100102657272_100000741017 [0,2,0,0,0,0|2,0,0]=4 528 B11R0.39 C=CCC(NC(=O)C)C(=O)NC 527a_100102657272_100000741017 [0,2,0,0,0,0|2,0,0]=4 529 B11R0.39 C=CC[C@@H](NC(=O)C)C(=O)OC 188690a_100020629983_100015343762 [0,2,0,0,0,0|1,0,0]=3 530 B11R0.39 CCC(=O)C(COC)NC(=O)C 1458a_200012277492_100000210202 [0,2,0,0,0,0|1,1,0]=4 531 B11R0.39 CCCC(NC(=O)C)C(=O)NC 11a_106256046333_100015343762 [0,2,0,0,0,0|2,0,0]=4 532 B11R0.39 CCCC(NC(=O)C)C(=O)NC 1626a_106256046333_100015343762 [0,2,0,0,0,0|2,0,0]=4 533 B11R0.39 CCCC(NC(=O)C)C(=O)NC 240690a_106256046333_100015343762 [0,2,0,0,0,0|2,0,0]=4 534 B11R0.39 CCCC(NC(=O)C)C(=O)NC 527a_106256046333_100103153847 [0,2,0,0,0,0|2,0,0]=4 535 B11R0.39 CCCC(NC(=O)C)C(=O)OC 188690a_100000696665_100015343762 [0,2,0,0,0,0|1,0,0]=3 536 B11R0.39 CCC[C@H](NC(=O)C)C(=O)CC 1458a_100011995990_100000210202 [0,2,0,0,0,0|2,0,0]=4 537 B11R0.39 CCC[C@H](NC(=O)C)C(=O)CF 1458a_100011995990_100015361967 [0,2,0,0,0,0|2,0,0]=4 538 B11R0.39 CCC[C@H](NC(=O)C)C(=O)NC 11a_106832991635_100011995990 [0,2,0,0,0,0|2,0,0]=4 539 B11R0.39 CCC[C@H](NC(=O)C)C(=O)NC 1626a_100102657272_100011995990 [0,2,0,0,0,0|2,0,0]=4 540 B11R0.39 CCC[C@H](NC(=O)C)C(=O)NC 240690a_100102657272_100011995990 [0,2,0,0,0,0|2,0,0]=4 541 B11R0.39 CCC[C@H](NC(=O)C)C(=O)NC 527a_100102657272_100011995990 [0,2,0,0,0,0|2,0,0]=4 542 B11R0.39 CNC(=O)C(COC)NC(=O)C 11a_106832991635_200012277492 [0,2,0,0,0,0|1,1,0]=4 543 B11R0.39 CNC(=O)C(COC)NC(=O)C 1626a_100102657272_200012277492 [0,2,0,0,0,0|1,1,0]=4 544 B11R0.39 CNC(=O)C(COC)NC(=O)C 240690a_100102657272_200012277492 [0,2,0,0,0,0|1,1,0]=4 545 B11R0.39 CNC(=O)C(COC)NC(=O)C 527a_100102657272_200012277492 [0,2,0,0,0,0|1,1,0]=4 546 B11R0.39 COC(=O)C(CSC)NC(=O)C 62a_100000763271_200000210301 [0,2,0,0,0,0|0,0,0]=2 547 B11R0.39 COC(=O)C(CSC)NC(=O)C 62a_200000210301_100000763271 [0,2,0,0,0,0|0,0,0]=2 548 B11R0.39 COC(=O)C(CS[13CH3])NC(=O)C 62a_100000763271_200025704644 [0,2,0,0,0,0|0,0,0]=2 549 B11R0.39 COC(=O)C(CS[13CH3])NC(=O)C 62a_200025704644_100000763271 [0,2,0,0,0,0|0,0,0]=2 550 B11R0.39 COC(=O)[C@H](CSC)NC(=O)C 188690a_100015184942_100015343762 [0,2,0,0,0,0|0,0,0]=2 551 B11R0.39 COCC(NC(=O)C)C(=O)CF 1458a_200012277492_100015361967 [0,2,0,0,0,0|1,1,0]=4 552 B11R0.39 COC[C@@H](NC(=O)C)C(=O)OC 188690a_100025726687_100015343762 [0,2,0,0,0,0|0,1,0]=3 553 B11R0.115 CC(=O)N[C@H](C(=O)CF)C(C)C 1458a_100011416799_100015361967 [0,2,0,0,0,0|2,0,0]=4 554 B11R0.115 CC(=O)N[C@H](C(=O)CF)[C@@H](C)O 1458a_100012017110_100015361967 [0,2,0,0,0,0|1,1,0]=4 555 B11R0.115 CCC(=O)[C@@H](NC(=O)C)C(C)C 1458a_100011416799_100000210202 [0,2,0,0,0,0|2,0,0]=4 556 B11R0.115 CCC(=O)[C@@H](NC(=O)C)[C@@H](C)O 1458a_100012017110_100000210202 [0,2,0,0,0,0|1,1,0]=4 557 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)C 1458a_100000729982_200000210301 [0,2,0,0,0,0|2,0,0]=4 558 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N 11a_100000758034_100015343762 [0,2,0,0,0,0|2,0,0]=4 559 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N 1626a_100000758034_100015343762 [0,2,0,0,0,0|2,0,0]=4 560 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N 240690a_100000758034_100015343762 [0,2,0,0,0,0|2,0,0]=4 561 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N 527a_100000758034_100103153847 [0,2,0,0,0,0|2,0,0]=4 562 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)[13CH3] 1458a_100000729982_200025704644 [0,2,0,0,0,0|2,0,0]=4 563 B11R0.115 CNC(=O)C(NC(=O)C)C(C)C 11a_100000690981_100015343762 [0,2,0,0,0,0|2,0,0]=4 564 B11R0.115 CNC(=O)C(NC(=O)C)C(C)C 1626a_100000690981_100015343762 [0,2,0,0,0,0|2,0,0]=4 565 B11R0.115 CNC(=O)C(NC(=O)C)C(C)C 240690a_100000690981_100015343762 [0,2,0,0,0,0|2,0,0]=4 566 B11R0.115 CNC(=O)C(NC(=O)C)C(C)C 527a_100000690981_100103153847 [0,2,0,0,0,0|2,0,0]=4 567 B11R0.115 CNC(=O)[C@@H](NC(=O)C)C(C)C 11a_106832991635_100011416799 [0,2,0,0,0,0|2,0,0]=4 568 B11R0.115 CNC(=O)[C@@H](NC(=O)C)C(C)C 1626a_100102657272_100011416799 [0,2,0,0,0,0|2,0,0]=4 569 B11R0.115 CNC(=O)[C@@H](NC(=O)C)C(C)C 240690a_100102657272_100011416799 [0,2,0,0,0,0|2,0,0]=4 570 B11R0.115 CNC(=O)[C@@H](NC(=O)C)C(C)C 527a_100102657272_100011416799 [0,2,0,0,0,0|2,0,0]=4 571 B11R0.115 CNC(=O)[C@@H](NC(=O)C)[C@@H](C)O 240690a_100102634413_100015343762 [0,2,0,0,0,0|1,1,0]=4 572 B11R0.115 CNC(=O)[C@@H](NC(=O)C)[C@@H](C)O 240690a_100102657272_100012017110 [0,2,0,0,0,0|1,1,0]=4 573 B11R0.115 CNC(=O)[C@@H](NC(=O)C)[C@@H](C)O 527a_100102634413_100103153847 [0,2,0,0,0,0|1,1,0]=4 574 B11R0.115 COC(=O)[C@@H](NC(=O)C)C(C)C 188690a_100000004327_100015343762 [0,2,0,0,0,0|1,0,0]=3 575 B11R0.115 COC(=O)[C@@H](NC(=O)C)[C@@H](C)O 188690a_100000004424_100015343762 [0,2,0,0,0,0|0,1,0]=3 576 B11R0.160 CCCCC(NC(=O)C)C(=O)C 1458a_100000194794_200000210301 [0,2,0,0,0,0|2,0,0]=4 577 B11R0.160 CCCCC(NC(=O)C)C(=O)[13CH3] 1458a_100000194794_200025704644 [0,2,0,0,0,0|2,0,0]=4 578 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 11a_100000124899_100015343762 [0,2,0,0,0,0|2,0,0]=4 579 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 1626a_100000124899_100015343762 [0,2,0,0,0,0|2,0,0]=4 580 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 240690a_100000124899_100015343762 [0,2,0,0,0,0|2,0,0]=4 581 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 527a_100000124899_100103153847 [0,2,0,0,0,0|2,0,0]=4 582 B11R0.160 CSCCC(NC(=O)N)C(=O)C 1458a_100000182937_200000210301 [0,2,0,0,0,0|2,0,0]=4 583 B11R0.160 CSCCC(NC(=O)N)C(=O)[13CH3] 1458a_100000182937_200025704644 [0,2,0,0,0,0|2,0,0]=4 584 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)C 1458a_100011933958_200000210301 [0,2,0,0,0,0|1,0,0]=3 585 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)[13CH3] 1458a_100011933958_200025704644 [0,2,0,0,0,0|1,0,0]=3 586 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 11a_100000119342_100015343762 [0,2,0,0,0,0|1,0,0]=3 587 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 1626a_100000119342_100015343762 [0,2,0,0,0,0|1,0,0]=3 588 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 240690a_100000119342_100015343762 [0,2,0,0,0,0|1,0,0]=3 589 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 527a_100000119342_100103153847 [0,2,0,0,0,0|1,0,0]=3 590 B11R0.160 CSCC[C@H](NC(C)C)C(=O)O 269956a_100000743919_100000210206 [0,2,0,0,0,0|1,0,1]=4 591 B11R0.160 CSCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100011218213 [0,2,0,0,0,0|2,0,0]=4 592 B11R0.236 C#CC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_200000035995 [0,2,0,0,0,0|1,0,1]=4 593 B11R0.236 C=CC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100011215867 [0,2,0,0,0,0|1,0,1]=4 594 B11R0.236 C=CC[C@H](NC(=O)OC)C(=O)C 1458a_100025711002_200000210301 [0,2,0,0,0,0|2,0,0]=4 595 B11R0.236 C=CC[C@H](NC(=O)OC)C(=O)[13CH3] 1458a_100025711002_200025704644 [0,2,0,0,0,0|2,0,0]=4 596 B11R0.236 CCC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100000758301 [0,2,0,0,0,0|1,0,1]=4 597 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 11a_100000729256_100000210414 [0,2,0,0,0,0|2,0,0]=4 598 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 1626a_100000729256_100000210414 [0,2,0,0,0,0|2,0,0]=4 599 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 240690a_100000729256_100000210414 [0,2,0,0,0,0|2,0,0]=4 600 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 527a_100000729256_100000210414 [0,2,0,0,0,0|2,0,0]=4 601 B11R0.236 CCC[C@H](NC(=O)CO)C(=O)N 240690a_100000729256_100000210174 [0,2,0,0,0,0|2,0,0]=4 602 B11R0.236 CCC[C@H](NC(=O)CO)C(=O)N 527a_100000729256_100000210174 [0,2,0,0,0,0|2,0,0]=4 603 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 2708a_100102657272_100000729256 [0,2,0,0,0,0|2,0,0]=4 604 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 273464a_100000729256_100102657272 [0,2,0,0,0,0|2,0,0]=4 605 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 273464a_100102657272_100000729256 [0,2,0,0,0,0|2,0,0]=4 606 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 512a_100000729256_100102657272 [0,2,0,0,0,0|2,0,0]=4 607 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 512a_106832991638_100000729256 [0,2,0,0,0,0|2,0,0]=4 608 B11R0.236 COC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100009879195 [0,2,0,0,0,0|0,0,2]=4 609 B11R0.236 CSC[C@H](NC(C)C#N)C(=O)O 269956a_100011421858_100000184139 [0,2,0,0,0,0|1,0,1]=4 610 B11R0.236 CSC[C@H](N[C@H](C)CO)C(=O)O 269956a_100011421858_100016084084 [0,2,0,0,0,0|0,0,2]=4 611 B11R0.55 C#CCC(=O)NC(CC)C(=O)N 1626a_100000733705_100011220946 [0,2,0,0,0,0|2,0,0]=4 612 B11R0.55 C#CCC(=O)NC(CC)C(=O)N 527a_100000733705_100011220946 [0,2,0,0,0,0|2,0,0]=4 613 B11R0.55 C=CCC(=O)NC(CC)C(=O)N 11a_100000733705_100000210193 [0,2,0,0,0,0|2,0,0]=4 614 B11R0.55 C=CCC(=O)NC(CC)C(=O)N 1626a_100000733705_100000210193 [0,2,0,0,0,0|2,0,0]=4 615 B11R0.55 C=CCC(=O)NC(CC)C(=O)N 240690a_100000733705_100000210193 [0,2,0,0,0,0|2,0,0]=4 616 B11R0.55 C=CCC(=O)NC(CC)C(=O)N 527a_100000733705_100000210193 [0,2,0,0,0,0|2,0,0]=4 617 B11R0.55 C=CCC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100000210193 [0,2,0,0,0,0|1,1,0]=4 618 B11R0.55 CC=CC(=O)NC(CC)C(=O)N 11a_100000733705_100000210699 [0,2,0,0,0,0|2,0,0]=4 619 B11R0.55 CC=CC(=O)NC(CC)C(=O)N 1626a_100000733705_100000210699 [0,2,0,0,0,0|2,0,0]=4 620 B11R0.55 CC=CC(=O)NC(CC)C(=O)N 240690a_100000733705_100000210699 [0,2,0,0,0,0|2,0,0]=4 621 B11R0.55 CC=CC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100000210699 [0,2,0,0,0,0|1,1,0]=4 622 B11R0.55 CCC(NC(=O)CC#N)C(=O)N 1626a_100000733705_100051588842 [0,2,0,0,0,0|2,0,0]=4 623 B11R0.55 CCC(NC(=O)CC#N)C(=O)N 240690a_100000733705_100051588842 [0,2,0,0,0,0|2,0,0]=4 624 B11R0.55 CCC(NC(=O)CCO)C(=O)N 240690a_100000733705_100011216618 [0,2,0,0,0,0|2,0,0]=4 625 B11R0.55 CCC(NC(=O)CNC)C(=O)O 269956a_100011216612_200000210301 [0,2,0,0,0,0|1,0,0]=3 626 B11R0.55 CCC(NC(=O)CN[13CH3])C(=O)O 269956a_100011216612_200025704644 [0,2,0,0,0,0|1,0,0]=3 627 B11R0.55 CCC(NC(=O)COC)C(=O)N 11a_100000733705_100000210968 [0,2,0,0,0,0|2,0,0]=4 628 B11R0.55 CCC(NC(=O)COC)C(=O)N 1626a_100000733705_100000210968 [0,2,0,0,0,0|2,0,0]=4 629 B11R0.55 CCC(NC(=O)COC)C(=O)N 240690a_100000733705_100000210968 [0,2,0,0,0,0|2,0,0]=4 630 B11R0.55 CCC(NC(=O)COC)C(=O)N 527a_100000733705_100000210968 [0,2,0,0,0,0|2,0,0]=4 631 B11R0.55 CCC(NC(=O)CSC)C(=O)N 11a_100000733705_100000184570 [0,2,0,0,0,0|2,0,0]=4 632 B11R0.55 CCC(NC(=O)CSC)C(=O)N 1626a_100000733705_100000184570 [0,2,0,0,0,0|2,0,0]=4 633 B11R0.55 CCC(NC(=O)CSC)C(=O)N 240690a_100000733705_100000184570 [0,2,0,0,0,0|2,0,0]=4 634 B11R0.55 CCC(NC(=O)CSC)C(=O)N 527a_100000733705_100000184570 [0,2,0,0,0,0|2,0,0]=4 635 B11R0.55 CCC(NC(=O)NNC)C(=O)N 273464a_100000733705_100016993582 [0,2,0,0,0,0|2,0,0]=4 636 B11R0.55 CCC(NC(=O)NNC)C(=O)N 512a_100000733705_100016993582 [0,2,0,0,0,0|2,0,0]=4 637 B11R0.55 CCCC(=O)NC(CC)C(=O)N 11a_100000733705_100000211992 [0,2,0,0,0,0|2,0,0]=4 638 B11R0.55 CCCC(=O)NC(CC)C(=O)N 1626a_100000733705_100000211992 [0,2,0,0,0,0|2,0,0]=4 639 B11R0.55 CCCC(=O)NC(CC)C(=O)N 240690a_100000733705_100000211992 [0,2,0,0,0,0|2,0,0]=4 640 B11R0.55 CCCC(=O)NC(CC)C(=O)N 527a_100000733705_100000211992 [0,2,0,0,0,0|2,0,0]=4 641 B11R0.55 CCCC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100000211992 [0,2,0,0,0,0|1,1,0]=4 642 B11R0.55 CCNC(=O)NC(CC)C(=O)N 2708a_100015525214_100000733705 [0,2,0,0,0,0|2,0,0]=4 643 B11R0.55 CCNC(=O)NC(CC)C(=O)N 273464a_100000733705_100015525214 [0,2,0,0,0,0|2,0,0]=4 644 B11R0.55 CCNC(=O)NC(CC)C(=O)N 273464a_100015525214_100000733705 [0,2,0,0,0,0|2,0,0]=4 645 B11R0.55 CCNC(=O)NC(CC)C(=O)N 512a_100000733705_100015525214 [0,2,0,0,0,0|2,0,0]=4 646 B11R0.55 CCNC(=O)N[C@@H](CO)C(=O)N 273464a_100000729942_100015525214 [0,2,0,0,0,0|1,1,0]=4 647 B11R0.55 CCNC(=O)N[C@@H](CO)C(=O)N 273464a_100015525214_100000729942 [0,2,0,0,0,0|1,1,0]=4 648 B11R0.55 CNCC(=O)NC(CO)C(=O)O 269956a_203437860990_200000210301 [0,2,0,0,0,0|0,1,0]=3 649 B11R0.55 CNNC(=O)N[C@@H](CO)C(=O)N 273464a_100000729942_100016993582 [0,2,0,0,0,0|1,1,0]=4 650 B11R0.55 COCC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100000210968 [0,2,0,0,0,0|1,1,0]=4 651 B11R0.55 CSCC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100000184570 [0,2,0,0,0,0|1,1,0]=4 652 B11R0.55 N#CCC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100051588842 [0,2,0,0,0,0|1,1,0]=4 653 B11R0.55 NC(=O)[C@H](CO)NC(=O)CCO 240690a_100000729942_100011216618 [0,2,0,0,0,0|1,1,0]=4 654 B11R0.55 [13CH3]NCC(=O)NC(CO)C(=O)O 269956a_203437860990_200025704644 [0,2,0,0,0,0|0,1,0]=3 655 B11R0.88 CCC(=O)N[C@@H](CC)C(=O)NC 11a_106657271573_100000210414 [0,2,0,0,0,0|2,0,0]=4 656 B11R0.88 CCC(=O)N[C@@H](CC)C(=O)NC 1626a_106657271573_100000210414 [0,2,0,0,0,0|2,0,0]=4 657 B11R0.88 CCC(=O)N[C@@H](CC)C(=O)NC 240690a_106657271573_100000210414 [0,2,0,0,0,0|2,0,0]=4 658 B11R0.88 CCC(=O)N[C@@H](CC)C(=O)NC 527a_106657271573_100000210414 [0,2,0,0,0,0|2,0,0]=4 659 B11R0.88 CCC(=O)N[C@H](CC)C(=O)OC 188690a_100020627782_100000210414 [0,2,0,0,0,0|1,0,0]=3 660 B11R0.88 CCC(=O)N[C@H](CO)C(=O)OC 188690a_100000003586_100000210414 [0,2,0,0,0,0|0,1,0]=3 661 B11R0.88 CC[C@@H](NC(=O)CO)C(=O)OC 188690a_100020627782_100000210174 [0,2,0,0,0,0|1,0,0]=3 662 B11R0.88 CC[C@H](NC(=O)CO)C(=O)NC 240690a_106657271573_100000210174 [0,2,0,0,0,0|2,0,0]=4 663 B11R0.88 CC[C@H](NC(=O)CO)C(=O)NC 527a_106657271573_100000210174 [0,2,0,0,0,0|2,0,0]=4 664 B11R0.88 CC[C@H](NC(=O)NC)C(=O)NC 2708a_100102657272_106657271573 [0,2,0,0,0,0|2,0,0]=4 665 B11R0.88 CC[C@H](NC(=O)NC)C(=O)NC 273464a_100102657272_106657271573 [0,2,0,0,0,0|2,0,0]=4 666 B11R0.88 CC[C@H](NC(=O)NC)C(=O)NC 273464a_106657271573_100102657272 [0,2,0,0,0,0|2,0,0]=4 667 B11R0.88 CC[C@H](NC(=O)NC)C(=O)NC 512a_106657271573_100102657272 [0,2,0,0,0,0|2,0,0]=4 668 B11R0.88 CC[C@H](NC(=O)NC)C(=O)NC 512a_106832991638_106657271573 [0,2,0,0,0,0|2,0,0]=4 669 B11R0.88 COC(=O)[C@@H](CO)NC(=O)CO 188690a_100000003586_100000210174 [0,2,0,0,0,0|0,1,0]=3 670 B11R0.108 CC(C)[C@H](NC(=O)CO)C(=O)N 240690a_100000119348_100000210174 [0,2,0,0,0,0|2,0,0]=4 671 B11R0.108 CC(C)[C@H](NC(=O)CO)C(=O)N 527a_100000119348_100000210174 [0,2,0,0,0,0|2,0,0]=4 672 B11R0.108 CCC(=O)N[C@H](C(=O)N)C(C)C 11a_100000119348_100000210414 [0,2,0,0,0,0|2,0,0]=4 673 B11R0.108 CCC(=O)N[C@H](C(=O)N)C(C)C 1626a_100000119348_100000210414 [0,2,0,0,0,0|2,0,0]=4 674 B11R0.108 CCC(=O)N[C@H](C(=O)N)C(C)C 240690a_100000119348_100000210414 [0,2,0,0,0,0|2,0,0]=4 675 B11R0.108 CCC(=O)N[C@H](C(=O)N)C(C)C 527a_100000119348_100000210414 [0,2,0,0,0,0|2,0,0]=4 676 B11R0.108 CCC(=O)N[C@H](C(=O)N)[C@@H](C)O 11a_100000003557_100000210414 [0,2,0,0,0,0|1,1,0]=4 677 B11R0.108 CCC(=O)N[C@H](C(=O)N)[C@@H](C)O 240690a_100000003557_100000210414 [0,2,0,0,0,0|1,1,0]=4 678 B11R0.108 CCC(=O)N[C@H](C(=O)N)[C@@H](C)O 527a_100000003557_100000210414 [0,2,0,0,0,0|1,1,0]=4 679 B11R0.108 CNC(=O)N[C@H](C(=O)N)C(C)C 273464a_100000119348_100102657272 [0,2,0,0,0,0|2,0,0]=4 680 B11R0.108 CNC(=O)N[C@H](C(=O)N)C(C)C 273464a_100102657272_100000119348 [0,2,0,0,0,0|2,0,0]=4 681 B11R0.108 CNC(=O)N[C@H](C(=O)N)C(C)C 512a_100000119348_100102657272 [0,2,0,0,0,0|2,0,0]=4 682 B11R0.108 COC(=O)N[C@H](C(=O)C)C(C)C 1458a_100000753774_200000210301 [0,2,0,0,0,0|2,0,0]=4 683 B11R0.108 COC(=O)N[C@H](C(=O)[13CH3])C(C)C 1458a_100000753774_200025704644 [0,2,0,0,0,0|2,0,0]=4 684 B11R0.108 C[C@@H](O)[C@H](NC(=O)CO)C(=O)N 240690a_100000003557_100000210174 [0,2,0,0,0,0|1,1,0]=4 685 B11R0.108 C[C@@H](O)[C@H](NC(=O)CO)C(=O)N 527a_100000003557_100000210174 [0,2,0,0,0,0|1,1,0]=4 686 B11R0.278 CCC(=O)N(C)[C@@H](CC)C(=O)N 11a_103436537554_100000210414 [0,2,0,0,0,0|2,0,0]=4 687 B11R0.278 CCC(=O)N(C)[C@@H](CC)C(=O)N 1626a_103436537554_100000210414 [0,2,0,0,0,0|2,0,0]=4 688 B11R0.278 CCC(=O)N(C)[C@@H](CC)C(=O)N 240690a_103436537554_100000210414 [0,2,0,0,0,0|2,0,0]=4 689 B11R0.278 CCC(=O)N(C)[C@@H](CC)C(=O)N 527a_103436537554_100000210414 [0,2,0,0,0,0|2,0,0]=4 690 B11R0.278 CC[C@@H](C(=O)N)N(C)C(=O)CO 240690a_103436537554_100000210174 [0,2,0,0,0,0|2,0,0]=4 691 B11R0.278 CC[C@@H](C(=O)N)N(C)C(=O)CO 527a_103436537554_100000210174 [0,2,0,0,0,0|2,0,0]=4 692 B11R0.278 CC[C@@H](C(=O)N)N(C)C(=O)NC 273464a_100102657272_103436537554 [0,2,0,0,0,0|2,0,0]=4 693 B11R0.56 C#CCC(=O)C(CC)NC(=O)C 1458a_100000195128_100000184674 [0,2,0,0,0,0|2,0,0]=4 694 B11R0.56 C#CCC(=O)C(CO)NC(=O)C 1458a_200011194110_100000184674 [0,2,0,0,0,0|1,1,0]=4 695 B11R0.56 C=CCC(=O)C(CC)NC(=O)C 1458a_100000195128_100000210623 [0,2,0,0,0,0|2,0,0]=4 696 B11R0.56 C=CCC(=O)C(CO)NC(=O)C 1458a_200011194110_100000210623 [0,2,0,0,0,0|1,1,0]=4 697 B11R0.56 CC(=O)NC(CO)C(=O)CC#N 1458a_200011194110_100011214920 [0,2,0,0,0,0|1,1,0]=4 698 B11R0.56 CC(=O)NC(CO)C(=O)CCF 1458a_200011194110_100011217306 [0,2,0,0,0,0|1,1,0]=4 699 B11R0.56 CC(=O)NC(CO)C(=O)CCO 1458a_200011194110_100000211926 [0,2,0,0,0,0|0,1,0]=3 700 B11R0.56 CCC(NC(=O)C)C(=O)CC#N 1458a_100000195128_100011214920 [0,2,0,0,0,0|2,0,0]=4 701 B11R0.56 CCC(NC(=O)C)C(=O)CCF 1458a_100000195128_100011217306 [0,2,0,0,0,0|2,0,0]=4 702 B11R0.56 CCC(NC(=O)C)C(=O)CCO 1458a_100000195128_100000211926 [0,2,0,0,0,0|1,0,0]=3 703 B11R0.56 CCC(NC(=O)C)C(=O)NNC 22a_100016993582_100000195128 [0,2,0,0,0,0|2,0,0]=4 704 B11R0.56 CCC(NC(=O)N)C(=O)CCO 1458a_100000203762_100000211926 [0,2,0,0,0,0|2,0,0]=4 705 B11R0.56 CCCC(=O)C(CC)NC(=O)C 1458a_100000195128_100000210303 [0,2,0,0,0,0|2,0,0]=4 706 B11R0.56 CCCC(=O)C(CO)NC(=O)C 1458a_200011194110_100000210303 [0,2,0,0,0,0|1,1,0]=4 707 B11R0.56 CCNC(=O)C(CC)NC(=O)C 11a_100015525214_100000195128 [0,2,0,0,0,0|2,0,0]=4 708 B11R0.56 CCNC(=O)C(CC)NC(=O)C 240690a_100015525214_100000195128 [0,2,0,0,0,0|2,0,0]=4 709 B11R0.56 CCNC(=O)C(CC)NC(=O)C 527a_100015525214_100000195128 [0,2,0,0,0,0|2,0,0]=4 710 B11R0.56 CCNC(=O)C(CO)NC(=O)C 240690a_100015525214_200011194110 [0,2,0,0,0,0|1,1,0]=4 711 B11R0.56 CCOC(=O)[C@@H](CO)NC(=O)C 188690a_100016988294_100015343762 [0,2,0,0,0,0|0,1,0]=3 712 B11R0.56 CCOC(=O)[C@H](CC)NC(=O)C 188690a_100025709693_100015343762 [0,2,0,0,0,0|1,0,0]=3 713 B11R0.56 CNNC(=O)C(CO)NC(=O)C 22a_100016993582_200011194110 [0,2,0,0,0,0|1,1,0]=4 714 B11R0.116 CCC(C(=O)OC)N(C)C(=O)C 11a_100000709176_100015343762 [0,2,0,0,0,0|1,0,0]=3 715 B11R0.116 CCC(C(=O)OC)N(C)C(=O)C 1626a_100000709176_100015343762 [0,2,0,0,0,0|1,0,0]=3 716 B11R0.116 CCC(C(=O)OC)N(C)C(=O)C 240690a_100000709176_100015343762 [0,2,0,0,0,0|1,0,0]=3 717 B11R0.116 CCC(C(=O)OC)N(C)C(=O)C 527a_100000709176_100103153847 [0,2,0,0,0,0|1,0,0]=3 718 B11R0.286 CCC(C)(NC(=O)C)C(=O)OC 188690a_100000748285_100015343762 [0,2,0,0,0,0|1,0,0]=3 719 B11R0.286 COC(=O)C(C)(CO)NC(=O)C 188690a_100015204609_100015343762 [0,2,0,0,0,0|0,1,0]=3 720 B11R0.427 CC(=O)NC(C)(C(=O)N)C(C)C 11a_100000729261_100015343762 [0,2,0,0,0,0|2,0,0]=4 721 B11R0.427 CC(=O)NC(C)(C(=O)N)C(C)C 1626a_100000729261_100015343762 [0,2,0,0,0,0|2,0,0]=4 722 B11R0.427 CC(=O)NC(C)(C(=O)N)C(C)C 240690a_100000729261_100015343762 [0,2,0,0,0,0|2,0,0]=4 723 B11R0.427 CC(=O)NC(C)(C(=O)N)C(C)C 527a_100000729261_100103153847 [0,2,0,0,0,0|2,0,0]=4 724 B11R0.234 CC(=O)N[C@H](C(=O)C)C(C)(C)C 1458a_100011418088_200000210301 [0,2,0,0,0,0|2,0,0]=4 725 B11R0.234 CC(=O)N[C@H](C(=O)N)C(C)(C)C 11a_100000765447_100015343762 [0,2,0,0,0,0|2,0,0]=4 726 B11R0.234 CC(=O)N[C@H](C(=O)N)C(C)(C)C 1626a_100000765447_100015343762 [0,2,0,0,0,0|2,0,0]=4 727 B11R0.234 CC(=O)N[C@H](C(=O)N)C(C)(C)C 240690a_100000765447_100015343762 [0,2,0,0,0,0|2,0,0]=4 728 B11R0.234 CC(=O)N[C@H](C(=O)N)C(C)(C)C 527a_100000765447_100103153847 [0,2,0,0,0,0|2,0,0]=4 729 B11R0.234 CC(=O)N[C@H](C(=O)[13CH3])C(C)(C)C 1458a_100011418088_200025704644 [0,2,0,0,0,0|2,0,0]=4 730 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [1,0,0,1,0,0|1,0,1]=4 731 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [1,0,0,1,0,0|2,0,0]=4 732 B9R1.35 CC(=O)C1CNC(=O)N1 1458a_100000033324_200000210301 [1,0,0,1,0,0|2,0,0]=4 733 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200000210301 [1,0,0,1,0,0|1,0,0]=3 734 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [1,0,0,1,0,0|2,0,0]=4 735 B9R1.35 [13CH3]C(=O)C1CNC(=O)N1 1458a_100000033324_200025704644 [1,0,0,1,0,0|2,0,0]=4 736 B9R1.35 [13CH3]C(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200025704644 [1,0,0,1,0,0|1,0,0]=3 737 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [1,0,0,1,0,0|1,0,1]=4 738 B9R1.179 CCNC1(CC1)C(=O)O 269956a_100000746478_100000210202 [1,0,0,1,0,0|1,0,1]=4 739 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [1,0,0,1,0,0|1,0,1]=4 740 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [1,0,0,1,0,0|1,0,1]=4 741 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [1,0,0,1,0,0|1,0,1]=4 742 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [1,0,0,1,0,0|1,0,1]=4 743 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [1,0,0,1,0,0|1,0,1]=4 744 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [1,0,0,1,0,0|1,0,1]=4 745 B9R1.128 CC(=O)NC1(CC1)CO 240690a_100000692850_100015343762 [1,0,0,1,0,0|1,0,1]=4 746 B9R1.128 CC(=O)NC1(CC1)CO 527a_100000692850_100103153847 [1,0,0,1,0,0|1,0,1]=4 747 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [1,0,0,1,0,0|1,0,1]=4 748 B9R1.27 CNC1C(=O)COC1=O 34a_100102657272_100000032967 [0,0,0,1,1,0|2,0,0]=4 749 B9R1.27 COC1C(=O)COC1=O 34a_100138415774_100000032967 [0,0,0,1,1,0|2,0,0]=4 750 B9R1.27 CSC1C(=O)COC1=O 62a_200000210301_100000032967 [0,0,0,1,1,0|2,0,0]=4 751 B9R1.27 [13CH3]SC1C(=O)COC1=O 62a_200025704644_100000032967 [0,0,0,1,1,0|2,0,0]=4 752 B9R1.168 CC(=O)C1(CC1)C(=O)C 1458a_100000070787_100000086384 [0,0,0,1,1,0|2,0,0]=4 753 B9R1.168 CC(=O)C1(CC1)C(=O)N 1458a_100000070787_100010760883 [0,0,0,1,1,0|2,0,0]=4 754 B9R1.168 CC(=O)C1(CC1)C(=O)N 1458a_100000751805_200000210301 [0,0,0,1,1,0|2,0,0]=4 755 B9R1.168 [13CH3]C(=O)C1(CC1)C(=O)N 1458a_100000751805_200025704644 [0,0,0,1,1,0|2,0,0]=4 756 B11R1.157 CC(=O)NC1CCNC(=O)C1 11a_100016994916_100015343762 [0,0,0,1,0,1|2,0,0]=4 757 B11R1.157 CC(=O)NC1CCNC(=O)C1 1626a_100016994916_100015343762 [0,0,0,1,0,1|2,0,0]=4 758 B11R1.157 CC(=O)NC1CCNC(=O)C1 240690a_100016994916_100015343762 [0,0,0,1,0,1|2,0,0]=4 759 B11R1.157 CC(=O)NC1CCNC(=O)C1 527a_100016994916_100103153847 [0,0,0,1,0,1|2,0,0]=4 760 B11R1.90 CC(=O)CCC1CCOC1=O 1458a_100000117037_200000210301 [0,0,0,1,0,1|2,0,0]=4 761 B11R1.90 CC(=O)COC1CCOC1=O 34a_100000211253_100000211211 [0,0,0,1,0,1|2,0,0]=4 762 B11R1.90 NC(=O)CNC1CCOC1=O 2230a_100000711301_100000211211 [0,0,0,1,0,1|2,0,0]=4 763 B11R1.90 [13CH3]C(=O)CCC1CCOC1=O 1458a_100000117037_200025704644 [0,0,0,1,0,1|2,0,0]=4 764 B11R1.175 CC(=O)N1CCC(C1)C(=O)N 11a_100000752358_100015343762 [0,0,0,1,0,1|2,0,0]=4 765 B11R1.175 CC(=O)N1CCC(C1)C(=O)N 240690a_100000752358_100015343762 [0,0,0,1,0,1|2,0,0]=4 766 B11R1.175 CC(=O)N1CCC(C1)C(=O)N 527a_100000752358_100103153847 [0,0,0,1,0,1|2,0,0]=4 767 B11R1.1391 C=C(C)CNC1(CC1)C(=O)O 269956a_100000746478_100000748629 [0,0,0,1,0,1|2,0,0]=4 768 B11R1.1391 NC(=O)CNC1(CC1)C(=O)O 269956a_100000746478_100000187820 [0,0,0,1,0,1|2,0,0]=4 769 B11R1.1391 O=C([O-])CNC1(CC1)C(=O)O 269956a_100000746478_100020667443 [0,0,0,1,0,1|2,0,0]=4 770 B11R1.86 CC(=O)NC1CCCNC1=O 11a_100000747585_100015343762 [0,1,0,1,0,0|2,0,0]=4 771 B11R1.86 CC(=O)NC1CCCNC1=O 1626a_100000747585_100015343762 [0,1,0,1,0,0|2,0,0]=4 772 B11R1.86 CC(=O)NC1CCCNC1=O 240690a_100000747585_100015343762 [0,1,0,1,0,0|2,0,0]=4 773 B11R1.86 CC(=O)NC1CCCNC1=O 527a_100000747585_100103153847 [0,1,0,1,0,0|2,0,0]=4 774 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 11a_100000003125_100015343762 [0,1,0,1,0,0|2,0,0]=4 775 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100015343762 [0,1,0,1,0,0|2,0,0]=4 776 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 527a_100000003125_100103153847 [0,1,0,1,0,0|2,0,0]=4 777 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)[13CH3] 1458a_100011416801_200025704644 [0,1,0,1,0,0|2,0,0]=4 778 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)[13CH3] 1458a_100011417960_200025704644 [0,1,0,1,0,0|1,0,0]=3 779 B11R1.178 CC(=O)[C@@H]1CCCN1C(=O)C 1458a_100011416801_200000210301 [0,1,0,1,0,0|2,0,0]=4 780 B11R1.178 CC(=O)[C@@H]1CSCN1C(=O)C 1458a_100011417960_200000210301 [0,1,0,1,0,0|1,0,0]=3 781 B11R1.178 CC(C)N1CSC[C@H]1C(=O)O 269956a_100000743924_100000210206 [0,1,0,1,0,0|1,0,1]=4 782 B11R1.806 CSC[C@H](NC1CC1)C(=O)O 269956a_100011421858_100000211595 [0,1,0,1,0,0|1,0,1]=4 783 B11R1.228 CCC(=O)NC1CCNC1=O 11a_100016995588_100000210414 [0,1,0,1,0,0|2,0,0]=4 784 B11R1.228 CCC(=O)NC1CCNC1=O 1626a_100016995588_100000210414 [0,1,0,1,0,0|2,0,0]=4 785 B11R1.228 CCC(=O)NC1CCNC1=O 240690a_100016995588_100000210414 [0,1,0,1,0,0|2,0,0]=4 786 B11R1.228 CCC(=O)NC1CCNC1=O 527a_100016995588_100000210414 [0,1,0,1,0,0|2,0,0]=4 787 B11R1.228 CCC(=O)NC1CCSC1=O 11a_100000184058_100000210414 [0,1,0,1,0,0|1,1,0]=4 788 B11R1.228 CCC(=O)NC1CCSC1=O 1626a_100000184058_100000210414 [0,1,0,1,0,0|1,1,0]=4 789 B11R1.228 CCC(=O)NC1CCSC1=O 240690a_100000184058_100000210414 [0,1,0,1,0,0|1,1,0]=4 790 B11R1.228 CCC(=O)NC1CCSC1=O 527a_100000184058_100000210414 [0,1,0,1,0,0|1,1,0]=4 791 B11R1.228 CCC(=O)N[C@@H]1CONC1=O 11a_100000765999_100000210414 [0,1,0,1,0,0|1,1,0]=4 792 B11R1.228 CNC(=O)NC1CCNC1=O 2708a_100016995588_106832991635 [0,1,0,1,0,0|2,0,0]=4 793 B11R1.228 CNC(=O)NC1CCNC1=O 2708a_100102657272_100016995588 [0,1,0,1,0,0|2,0,0]=4 794 B11R1.228 CNC(=O)NC1CCNC1=O 273464a_100016995588_100102657272 [0,1,0,1,0,0|2,0,0]=4 795 B11R1.228 CNC(=O)NC1CCNC1=O 273464a_100102657272_100016995588 [0,1,0,1,0,0|2,0,0]=4 796 B11R1.228 CNC(=O)NC1CCNC1=O 512a_100016995588_100102657272 [0,1,0,1,0,0|2,0,0]=4 797 B11R1.228 CNC(=O)NC1CCNC1=O 512a_106832991638_100016995588 [0,1,0,1,0,0|2,0,0]=4 798 B11R1.228 CNC(=O)NC1CCSC1=O 2708a_100102657272_100000184058 [0,1,0,1,0,0|1,1,0]=4 799 B11R1.228 CNC(=O)NC1CCSC1=O 273464a_100000184058_100102657272 [0,1,0,1,0,0|1,1,0]=4 800 B11R1.228 CNC(=O)NC1CCSC1=O 273464a_100102657272_100000184058 [0,1,0,1,0,0|1,1,0]=4 801 B11R1.228 CNC(=O)NC1CCSC1=O 512a_100000184058_100102657272 [0,1,0,1,0,0|1,1,0]=4 802 B11R1.228 CNC(=O)NC1CCSC1=O 512a_106832991638_100000184058 [0,1,0,1,0,0|1,1,0]=4 803 B11R1.228 CNC(=O)N[C@@H]1CONC1=O 2708a_100102657272_100000765999 [0,1,0,1,0,0|1,1,0]=4 804 B11R1.228 CNC(=O)N[C@@H]1CONC1=O 273464a_100000765999_100102657272 [0,1,0,1,0,0|1,1,0]=4 805 B11R1.228 CNC(=O)N[C@@H]1CONC1=O 273464a_100102657272_100000765999 [0,1,0,1,0,0|1,1,0]=4 806 B11R1.228 CNC(=O)N[C@@H]1CONC1=O 512a_100000765999_100102657272 [0,1,0,1,0,0|1,1,0]=4 807 B11R1.228 CNC(=O)N[C@@H]1CONC1=O 512a_106832991638_100000765999 [0,1,0,1,0,0|1,1,0]=4 808 B11R1.228 O=C(CO)NC1CCNC1=O 240690a_100016995588_100000210174 [0,1,0,1,0,0|2,0,0]=4 809 B11R1.228 O=C(CO)NC1CCNC1=O 527a_100016995588_100000210174 [0,1,0,1,0,0|2,0,0]=4 810 B11R1.228 O=C(CO)NC1CCSC1=O 240690a_100000184058_100000210174 [0,1,0,1,0,0|1,1,0]=4 811 B11R1.228 O=C(CO)NC1CCSC1=O 527a_100000184058_100000210174 [0,1,0,1,0,0|1,1,0]=4 812 B11R1.870 CC(=O)N1CC[C@H]1C(=O)CF 1458a_200015362969_100015361967 [0,1,0,1,0,0|2,0,0]=4 813 B11R1.870 CCC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_100000210202 [0,1,0,1,0,0|2,0,0]=4 814 B11R1.870 CNC(=O)[C@@H]1CCN1C(=O)C 11a_106832991635_200015362969 [0,1,0,1,0,0|2,0,0]=4 815 B11R1.870 CNC(=O)[C@@H]1CCN1C(=O)C 1626a_100102657272_200015362969 [0,1,0,1,0,0|2,0,0]=4 816 B11R1.870 CNC(=O)[C@@H]1CCN1C(=O)C 240690a_100102657272_200015362969 [0,1,0,1,0,0|2,0,0]=4 817 B11R1.870 CNC(=O)[C@@H]1CCN1C(=O)C 527a_100102657272_200015362969 [0,1,0,1,0,0|2,0,0]=4 818 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 11a_102516456887_100015343762 [0,1,0,1,0,0|1,0,0]=3 819 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 1626a_102516456887_100015343762 [0,1,0,1,0,0|1,0,0]=3 820 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 240690a_102516456887_100015343762 [0,1,0,1,0,0|1,0,0]=3 821 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 527a_102516456887_100103153847 [0,1,0,1,0,0|1,0,0]=3 822 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)C 1458a_100009908320_200000210301 [0,1,0,1,0,0|2,0,0]=4 823 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)[13CH3] 1458a_100009908320_200025704644 [0,1,0,1,0,0|2,0,0]=4 824 B11R1.1493 CCC(=O)NC1(CC1)C(=O)N 11a_100000687655_100000210414 [0,1,0,1,0,0|2,0,0]=4 825 B11R1.1493 CCC(=O)NC1(CC1)C(=O)N 240690a_100000687655_100000210414 [0,1,0,1,0,0|2,0,0]=4 826 B11R1.1493 CCC(=O)NC1(CC1)C(=O)N 527a_100000687655_100000210414 [0,1,0,1,0,0|2,0,0]=4 827 B11R1.1493 CNC(=O)NC1(CC1)C(=O)N 2708a_100102657272_100000687655 [0,1,0,1,0,0|2,0,0]=4 828 B11R1.1493 CNC(=O)NC1(CC1)C(=O)N 273464a_100000687655_100102657272 [0,1,0,1,0,0|2,0,0]=4 829 B11R1.1493 CNC(=O)NC1(CC1)C(=O)N 273464a_100102657272_100000687655 [0,1,0,1,0,0|2,0,0]=4 830 B11R1.1493 CNC(=O)NC1(CC1)C(=O)N 512a_100000687655_100102657272 [0,1,0,1,0,0|2,0,0]=4 831 B11R1.1493 NC(=O)C1(CC1)NC(=O)CO 240690a_100000687655_100000210174 [0,1,0,1,0,0|2,0,0]=4 832 B11R1.1493 NC(=O)C1(CC1)NC(=O)CO 527a_100000687655_100000210174 [0,1,0,1,0,0|2,0,0]=4 833 B11R1.23 CCC(=O)C1CSCC(=O)N1 1458a_100000045068_100000210202 [0,1,0,1,0,0|1,0,0]=3 834 B11R1.23 CCC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_100000210202 [0,1,0,1,0,0|2,0,0]=4 835 B11R1.23 CNC(=O)C1CSCC(=O)N1 240690a_100102657272_100000045068 [0,1,0,1,0,0|1,0,0]=3 836 B11R1.23 CNC(=O)C1CSCC(=O)N1 527a_100102657272_100000045068 [0,1,0,1,0,0|1,0,0]=3 837 B11R1.23 CNC(=O)[C@H]1CCCC(=O)N1 240690a_100102657272_100000705292 [0,1,0,1,0,0|2,0,0]=4 838 B11R1.23 CNC(=O)[C@H]1CCCC(=O)N1 527a_100102657272_100000705292 [0,1,0,1,0,0|2,0,0]=4 839 B11R1.23 O=C1CCC[C@@H](N1)C(=O)CF 1458a_100000705292_100015361967 [0,1,0,1,0,0|2,0,0]=4 840 B11R1.23 O=C1CSCC(N1)C(=O)CF 1458a_100000045068_100015361967 [0,1,0,1,0,0|1,0,0]=3 841 B11R1.889 CC(=O)NC1(CC1)C(=O)CF 1458a_100012027092_100015361967 [0,1,0,1,0,0|2,0,0]=4 842 B11R1.889 CCC(=O)C1(CC1)NC(=O)C 1458a_100012027092_100000210202 [0,1,0,1,0,0|2,0,0]=4 843 B11R1.889 CNC(=O)C1(CC1)NC(=O)C 11a_106832991635_100012027092 [0,1,0,1,0,0|2,0,0]=4 844 B11R1.889 CNC(=O)C1(CC1)NC(=O)C 1626a_100102657272_100012027092 [0,1,0,1,0,0|2,0,0]=4 845 B11R1.889 CNC(=O)C1(CC1)NC(=O)C 240690a_100102657272_100012027092 [0,1,0,1,0,0|2,0,0]=4 846 B11R1.889 CNC(=O)C1(CC1)NC(=O)C 527a_100102657272_100012027092 [0,1,0,1,0,0|2,0,0]=4 847 B11R1.889 COC(=O)C1(CC1)NC(=O)C 188690a_100000695184_100015343762 [0,1,0,1,0,0|1,0,0]=3 848 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [1,0,0,0,1,0|1,0,0]=3 849 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [1,0,0,0,1,0|1,0,0]=3 850 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [1,0,0,0,1,0|2,0,0]=4 851 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [1,0,0,0,1,0|1,0,1]=4 852 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [1,0,0,0,1,0|2,0,0]=4 853 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [1,0,0,0,1,0|2,0,0]=4 854 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [1,0,0,0,0,1|1,0,0]=3 855 B9R0.7 C=C(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000748629 [1,0,0,0,0,1|2,0,0]=4 856 B9R0.7 C=C(C)CN[C@H](C)C(=O)N 34a_100000119354_100000748629 [1,0,0,0,0,1|2,0,0]=4 857 B9R0.7 C=C(F)CN[C@@H](C)C(=O)O 269956a_100000743915_100000042424 [1,0,0,0,0,1|1,0,1]=4 858 B9R0.7 CC(=O)C(C)NCC(=O)N 2230a_100000711301_100009814033 [1,0,0,0,0,1|2,0,0]=4 859 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [1,0,0,0,0,1|2,0,0]=4 860 B9R0.7 CC(=O)COC(C)C(=O)N 34a_100000211253_100000702099 [1,0,0,0,0,1|2,0,0]=4 861 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [1,0,0,0,0,1|2,0,0]=4 862 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [1,0,0,0,0,1|2,0,0]=4 863 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [1,0,0,0,0,1|1,0,1]=4 864 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [1,0,0,0,0,1|1,0,1]=4 865 B9R0.7 CC(NCC(=O)N)C(=O)N 2230a_100000711301_100000702099 [1,0,0,0,0,1|2,0,0]=4 866 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [1,0,0,0,0,1|0,0,2]=4 867 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 2230a_100000119354_100000747473 [1,0,0,0,0,1|2,0,0]=4 868 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 34a_100000119354_100000187820 [1,0,0,0,0,1|2,0,0]=4 869 B9R0.7 C[C@@H](NCC(=O)[O-])C(=O)N 34a_100000119354_100020667443 [1,0,0,0,0,1|2,0,0]=4 870 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [1,0,0,0,0,1|1,0,0]=3 871 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [1,0,0,0,0,1|1,0,0]=3 872 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [1,0,0,0,0,1|0,0,2]=4 873 B9R0.7 C[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000743915_100000761209 [1,0,0,0,0,1|2,0,0]=4 874 B11R0.143 C=C(C)CN[C@H](CC)CC(=O)O 269956a_100016995926_100000748629 [0,0,0,0,0,2|2,0,0]=4 875 B11R0.143 C=C(C)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000748629 [0,0,0,0,0,2|1,1,0]=4 876 B11R0.143 CC[C@H](CC(=O)O)NCC(=O)N 269956a_100016995926_100000187820 [0,0,0,0,0,2|2,0,0]=4 877 B11R0.143 CC[C@H](CC(=O)O)NCC(=O)[O-] 269956a_100016995926_100020667443 [0,0,0,0,0,2|2,0,0]=4 878 B11R0.143 NC(=O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000187820 [0,0,0,0,0,2|1,1,0]=4 879 B11R0.143 O=C([O-])CN[C@H](CO)CC(=O)O 269956a_100009816507_100020667443 [0,0,0,0,0,2|1,1,0]=4 880 B11R0.273 C=C(C)CCNC(CO)C(=O)O 269956a_100000187304_100000730704 [0,0,0,0,0,2|1,1,0]=4 881 B11R0.273 C=C(C)CCN[C@H](CC)C(=O)O 269956a_100000747097_100000730704 [0,0,0,0,0,2|2,0,0]=4 882 B11R0.273 C=C[C@H](NCCC(=O)C)C(=O)O 269956a_100016992060_100000053229 [0,0,0,0,0,2|1,0,1]=4 883 B11R0.273 C=C[C@H](NCOC(=O)C)C(=O)O 269956a_100016992060_100000076356 [0,0,0,0,0,2|1,0,1]=4 884 B11R0.273 CC(=CCNC(CO)C(=O)O)C 269956a_100000187304_100000761012 [0,0,0,0,0,2|1,1,0]=4 885 B11R0.273 CC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000053229 [0,0,0,0,0,2|0,1,0]=3 886 B11R0.273 CC(=O)OCNC(CO)C(=O)O 269956a_100000187304_100000076356 [0,0,0,0,0,2|0,1,0]=3 887 B11R0.273 CC(=O)OCN[C@@H](CO)C(=O)N 34a_100000729942_100009813279 [0,0,0,0,0,2|1,1,0]=4 888 B11R0.273 CCC(NCOC(=O)C)C(=O)N 34a_100000733705_100009813279 [0,0,0,0,0,2|2,0,0]=4 889 B11R0.273 CC[C@@H](NCC=C(C)C)C(=O)O 269956a_100000747097_100000761012 [0,0,0,0,0,2|2,0,0]=4 890 B11R0.273 CC[C@@H](NCCC(=O)C)C(=O)O 269956a_100000747097_100000053229 [0,0,0,0,0,2|1,0,0]=3 891 B11R0.273 CC[C@@H](NCCC(=O)N)C(=O)O 269956a_100000747097_100000744528 [0,0,0,0,0,2|2,0,0]=4 892 B11R0.273 CC[C@@H](NCOC(=O)C)C(=O)O 269956a_100000747097_100000076356 [0,0,0,0,0,2|1,0,0]=3 893 B11R0.273 NC(=O)CCNC(CO)C(=O)O 269956a_100000187304_100000744528 [0,0,0,0,0,2|1,1,0]=4