0 B11R1.178 CC(=O)C1CCCN1C(=O)N 1458a_200000183025_200000210301 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.178 CC(=O)N1CCCC1C(C)C 11a_100000762757_100015343762 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.178 CC(=O)N1CCCC1C(C)C 1626a_100000762757_100015343762 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.178 CC(=O)N1CCCC1C(C)C 240690a_100000762757_100015343762 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.178 CC(=O)N1CCCC1C(C)C 527a_100000762757_100103153847 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 11a_100000003125_100015343762 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100015343762 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)N 527a_100000003125_100103153847 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)[13CH3] 1458a_100011416801_200025704644 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.178 CC(=O)N1CSC[C@H]1C(=O)[13CH3] 1458a_100011417960_200025704644 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.178 CC(=O)[C@@H]1CCCN1C(=O)C 1458a_100011416801_200000210301 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.178 CC(=O)[C@@H]1CSCN1C(=O)C 1458a_100011417960_200000210301 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.178 CC(=O)[C@H]1CCCN1C(C)C 1458a_100009927065_200000210301 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.178 CC(C)N1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210206 [0,0,0,0,0,0|1,0,3]=4 14 B11R1.178 CC(C)N1CCC[C@@H]1C(=O)[13CH3] 1458a_100009927065_200025704644 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.178 CC(C)N1CCC[C@H]1C(=O)N 2230a_100000003125_100000210206 [0,0,0,0,0,0|2,0,1]=3 16 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000210206 [0,0,0,0,0,0|1,0,1]=2 17 B11R1.178 CC(C)N1CCSC1C(=O)O 269956a_100000035718_100000210206 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.178 CC(C)N1CSC[C@H]1C(=O)O 269956a_100000743924_100000210206 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.178 [13CH3]C(=O)C1CCCN1C(=O)N 1458a_200000183025_200025704644 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.39 CC(=O)N1CCCC1C#N 11a_100000701862_100015343762 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.39 CC(=O)N1CCCC1C#N 1626a_100000701862_100015343762 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.39 CC(=O)N1CCCC1C#N 240690a_100000701862_100015343762 [1,0,0,0,0,0|1,0,1]=3 23 B10R1.39 CC(=O)N1CCCC1C#N 527a_100000701862_100103153847 [1,0,0,0,0,0|1,0,1]=3 24 B10R1.39 CC(=O)N1CCC[C@@H]1C#N 240690a_106645074975_100015343762 [1,0,0,0,0,0|1,0,1]=3 25 B10R1.39 CC(=O)N1CCC[C@@H]1C#N 527a_106645074975_100103153847 [1,0,0,0,0,0|1,0,1]=3 26 B10R1.39 CC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100015343762 [1,0,0,0,0,0|0,0,1]=2 27 B10R1.39 CC(=O)N1CCC[C@@H]1CO 527a_100000745186_100103153847 [1,0,0,0,0,0|0,0,1]=2 28 B10R1.39 CC(=O)N1CSC[C@H]1C#N 11a_100020626484_100015343762 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.39 CC(=O)N1CSC[C@H]1C#N 1626a_100020626484_100015343762 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.39 CC(=O)N1CSC[C@H]1C#N 240690a_100020626484_100015343762 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.39 CC(C)N1CCC[C@@H]1CO 2230a_100000745186_100000210206 [1,0,0,0,0,0|1,0,2]=4 32 B10R1.39 CC(C)N1CCC[C@@H]1CO 269982a_100000745186_100000210206 [1,0,0,0,0,0|1,0,2]=4 33 B10R1.39 CC(C)N1CCC[C@@H]1CO 34a_100000745186_100000210206 [1,0,0,0,0,0|1,0,2]=4 34 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [1,0,0,0,0,0|1,0,1]=3 35 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [1,0,0,0,0,0|1,0,1]=3 37 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [1,0,0,0,0,0|1,0,1]=3 38 B10R1.39 CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210202 [1,0,0,0,0,0|0,0,3]=4 39 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [1,0,0,0,0,0|1,0,1]=3 40 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [1,0,0,0,0,0|1,0,1]=3 41 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [1,0,0,0,0,0|1,0,1]=3 42 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [1,0,0,0,0,0|0,0,1]=2 43 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [1,0,0,0,0,0|1,0,1]=3 44 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [1,0,0,0,0,0|1,0,1]=3 45 B10R1.39 O=C(O)C1SCCN1CF 269956a_100000035718_100015361967 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [1,0,0,0,0,0|1,0,1]=3 47 B10R1.39 O=C(O)[C@@H]1CSCN1CF 269956a_100000743924_100015361967 [1,0,0,0,0,0|2,0,1]=4 48 B12R1.263 CC(=O)C1CCCN1S(=O)(=O)C 1458a_100000165837_200000210301 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.263 CC(=O)N1CCC[C@@H]1C(C)(C)O 11a_100020587339_100015343762 [0,1,0,0,0,0|1,0,1]=3 50 B12R1.263 CC(=O)N1CCC[C@@H]1C(C)(C)O 1626a_100020587339_100015343762 [0,1,0,0,0,0|1,0,1]=3 51 B12R1.263 CC(=O)N1CCC[C@@H]1C(C)(C)O 240690a_100020587339_100015343762 [0,1,0,0,0,0|1,0,1]=3 52 B12R1.263 CC(=O)N1CCC[C@@H]1C(C)(C)O 527a_100020587339_100103153847 [0,1,0,0,0,0|1,0,1]=3 53 B12R1.263 CC(=O)N1CCC[C@H]1C(F)(F)F 11a_100000746266_100015343762 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.263 CC(=O)N1CCC[C@H]1C(F)(F)F 1626a_100000746266_100015343762 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.263 CC(=O)N1CCC[C@H]1C(F)(F)F 240690a_100000746266_100015343762 [0,1,0,0,0,0|2,0,1]=4 56 B12R1.263 CC(=O)N1CCC[C@H]1C(F)(F)F 527a_100000746266_100103153847 [0,1,0,0,0,0|2,0,1]=4 57 B12R1.263 CC(C)(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000211941 [0,1,0,0,0,0|1,0,1]=3 58 B12R1.263 CC(C)(C)N1CCSC1C(=O)O 269956a_100000035718_100000211941 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.263 CC(C)(C)N1CSC[C@H]1C(=O)O 269956a_100000743924_100000211941 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.263 CS(=O)(=O)N1CCCC1C(=O)[13CH3] 1458a_100000165837_200025704644 [0,1,0,0,0,0|2,0,0]=3 61 B12R1.263 CS(=O)(=O)N1CCC[C@H]1C(=O)N 40a_100000003125_100000738038 [0,1,0,0,0,0|2,0,0]=3 62 B12R1.263 O=C(O)[C@@H]1CCCN1C(F)(F)F 269956a_100000743916_200000243211 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.368 C#CC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_200000035995 [0,1,0,0,0,0|1,0,1]=3 64 B12R1.368 C#CC(C)N1CCSC1C(=O)O 269956a_100000035718_200000035995 [0,1,0,0,0,0|2,0,1]=4 65 B12R1.368 C#CC(C)N1CSC[C@H]1C(=O)O 269956a_100000743924_200000035995 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.368 C=CC(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_200121576911 [0,1,0,0,0,0|1,0,1]=3 67 B12R1.368 C=CC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100011215867 [0,1,0,0,0,0|1,0,1]=3 68 B12R1.368 C=CC(C)N1CCSC1C(=O)O 269956a_100000035718_100011215867 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.368 C=CC(C)N1CSC[C@H]1C(=O)O 269956a_100000743924_100011215867 [0,1,0,0,0,0|2,0,1]=4 70 B12R1.368 CC(=O)N1CCC[C@H]1C(=O)CF 1458a_100011416801_100015361967 [0,1,0,0,0,0|1,0,0]=2 71 B12R1.368 CC(=O)N1CSC[C@H]1C(=O)CF 1458a_100011417960_100015361967 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.368 CC(C#N)N1CCC[C@H]1C(=O)N 2230a_100000003125_100000184139 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.368 CC(C#N)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000184139 [0,1,0,0,0,0|1,0,1]=3 74 B12R1.368 CC(C#N)N1CCSC1C(=O)O 269956a_100000035718_100000184139 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.368 CC(C#N)N1CSC[C@H]1C(=O)O 269956a_100000743924_100000184139 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.368 CC(C)C1CCCN1C(=O)CO 240690a_100000762757_100000210174 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.368 CC(C)C1CCCN1C(=O)CO 527a_100000762757_100000210174 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.368 CC(C)N1CCC[C@@H]1C(=O)CF 1458a_100009927065_100015361967 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.368 CC(CO)N1CCC[C@H]1C(=O)N 2230a_100000003125_100012180447 [0,1,0,0,0,0|1,0,2]=4 80 B12R1.368 CCC(=O)C1CCCN1C(=O)N 1458a_200000183025_100000210202 [0,1,0,0,0,0|2,0,0]=3 81 B12R1.368 CCC(=O)N1CCCC1C(=O)C 1458a_200000194913_200000210301 [0,1,0,0,0,0|1,0,0]=2 82 B12R1.368 CCC(=O)N1CCCC1C(=O)[13CH3] 1458a_200000194913_200025704644 [0,1,0,0,0,0|1,0,0]=2 83 B12R1.368 CCC(=O)N1CCCC1C(C)C 11a_100000762757_100000210414 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.368 CCC(=O)N1CCCC1C(C)C 1626a_100000762757_100000210414 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.368 CCC(=O)N1CCCC1C(C)C 240690a_100000762757_100000210414 [0,1,0,0,0,0|2,0,1]=4 86 B12R1.368 CCC(=O)N1CCCC1C(C)C 527a_100000762757_100000210414 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)N 11a_100000003125_100000210414 [0,1,0,0,0,0|1,0,0]=2 88 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100000210414 [0,1,0,0,0,0|1,0,0]=2 89 B12R1.368 CCC(=O)N1CCC[C@H]1C(=O)N 527a_100000003125_100000210414 [0,1,0,0,0,0|1,0,0]=2 90 B12R1.368 CCC(=O)[C@@H]1CCCN1C(=O)C 1458a_100011416801_100000210202 [0,1,0,0,0,0|1,0,0]=2 91 B12R1.368 CCC(=O)[C@@H]1CSCN1C(=O)C 1458a_100011417960_100000210202 [0,1,0,0,0,0|2,0,0]=3 92 B12R1.368 CCC(=O)[C@H]1CCCN1C(C)C 1458a_100009927065_100000210202 [0,1,0,0,0,0|2,0,1]=4 93 B12R1.368 CCC(C)N1CCC[C@H]1C(=O)N 2230a_100000003125_100000758301 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.368 CCC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000758301 [0,1,0,0,0,0|1,0,1]=3 95 B12R1.368 CCC(C)N1CCSC1C(=O)O 269956a_100000035718_100000758301 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.368 CCC(C)N1CSC[C@H]1C(=O)O 269956a_100000743924_100000758301 [0,1,0,0,0,0|2,0,1]=4 97 B12R1.368 CNC(=O)C1CCCN1C(=O)N 1626a_100102657272_200000183025 [0,1,0,0,0,0|2,0,0]=3 98 B12R1.368 CNC(=O)C1CCCN1C(=O)N 240690a_100102657272_200000183025 [0,1,0,0,0,0|2,0,0]=3 99 B12R1.368 CNC(=O)N1CCCC1C(C)C 2708a_100102657272_100000762757 [0,1,0,0,0,0|2,0,1]=4 100 B12R1.368 CNC(=O)N1CCCC1C(C)C 273464a_100102657272_100000762757 [0,1,0,0,0,0|2,0,1]=4 101 B12R1.368 CNC(=O)N1CCC[C@H]1C(=O)N 273464a_100102657272_100000003125 [0,1,0,0,0,0|1,0,0]=2 102 B12R1.368 CNC(=O)[C@@H]1CCCN1C(=O)C 11a_100015185040_100015343762 [0,1,0,0,0,0|1,0,0]=2 103 B12R1.368 CNC(=O)[C@@H]1CCCN1C(=O)C 11a_106832991635_100011416801 [0,1,0,0,0,0|1,0,0]=2 104 B12R1.368 CNC(=O)[C@@H]1CCCN1C(=O)C 1626a_100015185040_100015343762 [0,1,0,0,0,0|1,0,0]=2 105 B12R1.368 CNC(=O)[C@@H]1CCCN1C(=O)C 1626a_100102657272_100011416801 [0,1,0,0,0,0|1,0,0]=2 106 B12R1.368 CNC(=O)[C@@H]1CCCN1C(=O)C 240690a_100015185040_100015343762 [0,1,0,0,0,0|1,0,0]=2 107 B12R1.368 CNC(=O)[C@@H]1CCCN1C(=O)C 240690a_100102657272_100011416801 [0,1,0,0,0,0|1,0,0]=2 108 B12R1.368 CNC(=O)[C@@H]1CCCN1C(=O)C 527a_100015185040_100103153847 [0,1,0,0,0,0|1,0,0]=2 109 B12R1.368 CNC(=O)[C@@H]1CCCN1C(C)C 2230a_100015185040_100000210206 [0,1,0,0,0,0|2,0,1]=4 110 B12R1.368 CNC(=O)[C@@H]1CCCN1C(C)C 269982a_100015185040_100000210206 [0,1,0,0,0,0|2,0,1]=4 111 B12R1.368 CNC(=O)[C@@H]1CCCN1C(C)C 34a_100015185040_100000210206 [0,1,0,0,0,0|2,0,1]=4 112 B12R1.368 CNC(=O)[C@@H]1CSCN1C(=O)C 11a_106832991635_100011417960 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.368 CNC(=O)[C@@H]1CSCN1C(=O)C 1626a_100102657272_100011417960 [0,1,0,0,0,0|2,0,0]=3 114 B12R1.368 CNC(=O)[C@@H]1CSCN1C(=O)C 240690a_100102657272_100011417960 [0,1,0,0,0,0|2,0,0]=3 115 B12R1.368 CNC(=O)[C@@H]1CSCN1C(=O)C 527a_100102657272_100011417960 [0,1,0,0,0,0|2,0,0]=3 116 B12R1.368 CNC(=O)[C@H]1CCCN1C(C)C 240690a_100102657272_100009927065 [0,1,0,0,0,0|2,0,1]=4 117 B12R1.368 CNC(=O)[C@H]1CCCN1C(C)C 527a_100102657272_100009927065 [0,1,0,0,0,0|2,0,1]=4 118 B12R1.368 COC(=O)C1CSCN1C(=O)C 11a_200000724679_100015343762 [0,1,0,0,0,0|1,0,0]=2 119 B12R1.368 COC(=O)C1CSCN1C(=O)C 240690a_200000724679_100015343762 [0,1,0,0,0,0|1,0,0]=2 120 B12R1.368 COC(=O)C1CSCN1C(C)C 269982a_200000724679_100000210206 [0,1,0,0,0,0|2,0,1]=4 121 B12R1.368 COC(=O)C1SCCN1C(=O)C 11a_100015296106_100015343762 [0,1,0,0,0,0|1,0,0]=2 122 B12R1.368 COC(=O)C1SCCN1C(=O)C 240690a_100015296106_100015343762 [0,1,0,0,0,0|1,0,0]=2 123 B12R1.368 COC(=O)C1SCCN1C(=O)C 527a_100015296106_100103153847 [0,1,0,0,0,0|1,0,0]=2 124 B12R1.368 COC(=O)C1SCCN1C(C)C 2230a_100015296106_100000210206 [0,1,0,0,0,0|2,0,1]=4 125 B12R1.368 COC(=O)C1SCCN1C(C)C 269982a_100015296106_100000210206 [0,1,0,0,0,0|2,0,1]=4 126 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C 11a_100000752040_100015343762 [0,1,0,0,0,0|0,0,0]=1 127 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C 1626a_100000752040_100015343762 [0,1,0,0,0,0|0,0,0]=1 128 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C 240690a_100000752040_100015343762 [0,1,0,0,0,0|0,0,0]=1 129 B12R1.368 COC(=O)[C@@H]1CCCN1C(=O)C 527a_100000752040_100103153847 [0,1,0,0,0,0|0,0,0]=1 130 B12R1.368 COC(=O)[C@@H]1CCCN1C(C)C 2230a_100000752040_100000210206 [0,1,0,0,0,0|1,0,1]=3 131 B12R1.368 COC(=O)[C@@H]1CCCN1C(C)C 269982a_100000752040_100000210206 [0,1,0,0,0,0|1,0,1]=3 132 B12R1.368 COC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100009879195 [0,1,0,0,0,0|0,0,2]=3 133 B12R1.368 COC(C)N1CCSC1C(=O)O 269956a_100000035718_100009879195 [0,1,0,0,0,0|1,0,2]=4 134 B12R1.368 COC(C)N1CSC[C@H]1C(=O)O 269956a_100000743924_100009879195 [0,1,0,0,0,0|1,0,2]=4 135 B12R1.368 C[C@H](CO)N1CCC[C@H]1C(=O)O 269956a_100000743916_100016084084 [0,1,0,0,0,0|0,0,2]=3 136 B12R1.368 C[C@H](CO)N1CCSC1C(=O)O 269956a_100000035718_100016084084 [0,1,0,0,0,0|1,0,2]=4 137 B12R1.368 C[C@H](CO)N1CSC[C@H]1C(=O)O 269956a_100000743924_100016084084 [0,1,0,0,0,0|1,0,2]=4 138 B12R1.368 NC(=O)N1CCCC1C(=O)CF 1458a_200000183025_100015361967 [0,1,0,0,0,0|2,0,0]=3 139 B12R1.368 NC(=O)[C@@H]1CCCN1C(=O)CO 240690a_100000003125_100000210174 [0,1,0,0,0,0|1,0,0]=2 140 B12R1.368 NC(=O)[C@@H]1CCCN1C(=O)CO 527a_100000003125_100000210174 [0,1,0,0,0,0|1,0,0]=2 141 B12R1.850 CC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 240690a_100020587027_100015343762 [0,1,0,0,0,0|1,0,0]=2 142 B12R1.850 CC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 527a_100020587027_100103153847 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.850 CC(=O)N1C[C@@H](C[C@H]1C(=O)[13CH3])O 1458a_100011830302_200025704644 [0,1,0,0,0,0|1,0,0]=2 144 B12R1.850 CC(=O)N1C[C@H](C[C@H]1C(=O)N)F 11a_100020614896_100015343762 [0,1,0,0,0,0|1,0,0]=2 145 B12R1.850 CC(=O)N1C[C@H](C[C@H]1C(=O)N)F 1626a_100020614896_100015343762 [0,1,0,0,0,0|1,0,0]=2 146 B12R1.850 CC(=O)N1C[C@H](C[C@H]1C(=O)N)F 240690a_100020614896_100015343762 [0,1,0,0,0,0|1,0,0]=2 147 B12R1.850 CC(=O)N1C[C@H](C[C@H]1C(=O)N)F 527a_100020614896_100103153847 [0,1,0,0,0,0|1,0,0]=2 148 B12R1.850 CC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 1458a_100011830302_200000210301 [0,1,0,0,0,0|1,0,0]=2 149 B12R1.850 CC(C)N1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210206 [0,1,0,0,0,0|2,0,1]=4 150 B12R1.850 CC(C)N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000210206 [0,1,0,0,0,0|2,0,1]=4 151 B12R1.850 CC(C)N1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000210206 [0,1,0,0,0,0|2,0,1]=4 152 B12R1.850 CC(C)N1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000210206 [0,1,0,0,0,0|2,0,1]=4 153 B12R1.850 CC(C)N1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000210206 [0,1,0,0,0,0|2,0,1]=4 154 B12R1.850 CC(C)N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210206 [0,1,0,0,0,0|1,0,1]=3 155 B12R1.850 CC(C)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210206 [0,1,0,0,0,0|1,0,1]=3 156 B12R1.1388 CC(=O)N1CCC[C@]1(C)C(=O)C 1458a_200009820353_200000210301 [0,1,0,0,0,0|1,0,0]=2 157 B12R1.1388 CC(=O)N1CCC[C@]1(C)C(=O)[13CH3] 1458a_200009820353_200025704644 [0,1,0,0,0,0|1,0,0]=2 158 B12R1.1388 CC(C)N1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210206 [0,1,0,0,0,0|1,0,1]=3 159 B10R0.23 C=CCC(NC(=O)C)C(=O)C 1458a_100000741017_200000210301 [0,0,1,0,0,0|1,0,2]=4 160 B10R0.23 C=CCC(NC(=O)C)C(=O)[13CH3] 1458a_100000741017_200025704644 [0,0,1,0,0,0|1,0,2]=4 161 B10R0.23 CC(=O)N(CCO)CC(C)O 240690a_100000731851_100015343762 [0,0,1,0,0,0|2,0,1]=4 162 B10R0.23 CC(=O)N(CCO)CC(C)O 527a_100000731851_100103153847 [0,0,1,0,0,0|2,0,1]=4 163 B10R0.23 CC(C)N(CCO)CC(=O)O 269956a_100000747938_100000210206 [0,0,1,0,0,0|2,0,1]=4 164 B10R0.23 CCCN(CC(=O)N)C(C)C 2230a_106256033942_100000747473 [0,0,1,0,0,0|2,0,1]=4 165 B10R0.23 CCCN(CC(=O)N)C(C)C 269982a_106256033942_100000187820 [0,0,1,0,0,0|2,0,1]=4 166 B10R0.23 CCCN(CC(=O)[O-])C(C)C 269982a_106256033942_100020667443 [0,0,1,0,0,0|1,0,2]=4 167 B10R0.23 CCC[C@H](NC(=O)C)C(=O)C 1458a_100011995990_200000210301 [0,0,1,0,0,0|1,0,0]=2 168 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 11a_100000729256_100015343762 [0,0,1,0,0,0|1,0,0]=2 169 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 1626a_100000729256_100015343762 [0,0,1,0,0,0|1,0,0]=2 170 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 240690a_100000729256_100015343762 [0,0,1,0,0,0|1,0,0]=2 171 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 527a_100000729256_100103153847 [0,0,1,0,0,0|1,0,0]=2 172 B10R0.23 CCC[C@H](NC(=O)C)C(=O)[13CH3] 1458a_100011995990_200025704644 [0,0,1,0,0,0|1,0,0]=2 173 B10R0.23 CCC[C@H](NC(C)C)C(=O)N 2230a_100000729256_100000210206 [0,0,1,0,0,0|2,0,1]=4 174 B10R0.23 CCC[C@H](NC(C)C)C(=O)N 34a_100000729256_100000210206 [0,0,1,0,0,0|2,0,1]=4 175 B10R0.23 CCC[C@H](NC(C)C)C(=O)O 269956a_100000750406_100000210206 [0,0,1,0,0,0|1,0,1]=3 176 B10R0.23 CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210202 [0,0,1,0,0,0|3,0,0]=4 177 B10R0.23 COCC(NC(=O)C)C(=O)C 1458a_200012277492_200000210301 [0,0,1,0,0,0|2,0,0]=3 178 B10R0.23 COCC(NC(=O)C)C(=O)[13CH3] 1458a_200012277492_200025704644 [0,0,1,0,0,0|2,0,0]=3 179 B10R0.23 COC[C@@H](NC(C)C)C(=O)O 269956a_100011998655_100000210206 [0,0,1,0,0,0|2,0,1]=4 180 B10R0.23 CSC[C@H](NC(C)C)C(=O)O 269956a_100011421858_100000210206 [0,0,1,0,0,0|2,0,1]=4 181 B10R0.23 C[Se]C[C@H](NC(C)C)C(=O)O 269956a_100015254316_100000210206 [0,0,1,0,0,0|2,0,1]=4 182 B10R0.76 CC(C)N(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210206 [0,0,1,0,0,0|2,0,1]=4 183 B10R0.76 CCC(C(=O)N)N(C)C(C)C 269982a_200000211004_100000750255 [0,0,1,0,0,0|2,0,1]=4 184 B10R0.76 CCN(C(=O)C)C(C)C(=O)N 11a_100020603310_100015343762 [0,0,1,0,0,0|1,0,0]=2 185 B10R0.76 CCN(C(=O)C)C(C)C(=O)N 1626a_100020603310_100015343762 [0,0,1,0,0,0|1,0,0]=2 186 B10R0.76 CCN(C(=O)C)C(C)C(=O)N 240690a_100020603310_100015343762 [0,0,1,0,0,0|1,0,0]=2 187 B10R0.76 CCN(C(=O)C)C(C)C(=O)N 527a_100020603310_100103153847 [0,0,1,0,0,0|1,0,0]=2 188 B10R0.76 CCN(C(=O)C)C(C)C(C)C 11a_100000746363_100015343762 [0,0,1,0,0,0|2,0,1]=4 189 B10R0.76 CCN(C(=O)C)C(C)C(C)C 1626a_100000746363_100015343762 [0,0,1,0,0,0|2,0,1]=4 190 B10R0.76 CCN(C(=O)C)C(C)C(C)C 240690a_100000746363_100015343762 [0,0,1,0,0,0|2,0,1]=4 191 B10R0.76 CCN(C(=O)C)C(C)C(C)C 527a_100000746363_100103153847 [0,0,1,0,0,0|2,0,1]=4 192 B10R0.76 CCN(C(C)C)C(C)C(=O)C 2230a_100000223864_100009814033 [0,0,1,0,0,0|2,0,1]=4 193 B10R0.76 CCN(C(C)C)C(C)C(=O)C 269982a_100000223864_100009814033 [0,0,1,0,0,0|2,0,1]=4 194 B10R0.76 CCN(C(C)C)C(C)C(=O)N 2230a_100000223864_100000702099 [0,0,1,0,0,0|2,0,1]=4 195 B10R0.76 CCN(C(C)C)C(C)C(=O)N 2230a_100020603310_100000210206 [0,0,1,0,0,0|2,0,1]=4 196 B10R0.76 CCN(C(C)C)C(C)C(=O)N 269982a_100000223864_100000184083 [0,0,1,0,0,0|2,0,1]=4 197 B10R0.76 CCN(C(C)C)C(C)C(=O)N 269982a_100020603310_100000210206 [0,0,1,0,0,0|2,0,1]=4 198 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 11a_103436537554_100015343762 [0,0,1,0,0,0|1,0,0]=2 199 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 1626a_103436537554_100015343762 [0,0,1,0,0,0|1,0,0]=2 200 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 240690a_103436537554_100015343762 [0,0,1,0,0,0|1,0,0]=2 201 B10R0.76 CC[C@@H](C(=O)N)N(C)C(=O)C 527a_103436537554_100103153847 [0,0,1,0,0,0|1,0,0]=2 202 B10R0.76 CC[C@@H](C(=O)N)N(C)C(C)C 2230a_103436537554_100000210206 [0,0,1,0,0,0|2,0,1]=4 203 B10R0.76 CC[C@@H](C(=O)N)N(C)C(C)C 269982a_103436537554_100000210206 [0,0,1,0,0,0|2,0,1]=4 204 B10R0.97 C=C(C)CNCCNC(=O)C 2230a_100000209853_100000748629 [0,0,1,0,0,0|3,0,0]=4 205 B10R0.97 C=C(C)COCCNC(=O)C 34a_100000158858_100000748629 [0,0,1,0,0,0|3,0,0]=4 206 B10R0.97 C=C(C)CSCCNC(=O)C 62a_100000189650_100000211660 [0,0,1,0,0,0|3,0,0]=4 207 B10R0.97 C=C(C)CSCCNC(=O)C 62a_100000748629_100000189650 [0,0,1,0,0,0|3,0,0]=4 208 B10R0.97 C=C(F)CNCCNC(=O)C 2230a_100000209853_100009893438 [0,0,1,0,0,0|3,0,0]=4 209 B10R0.97 C=C(F)COCCNC(=O)C 34a_100000158858_100009893438 [0,0,1,0,0,0|3,0,0]=4 210 B10R0.97 C=C(F)CSCCNC(=O)C 62a_100000042424_100000189650 [0,0,1,0,0,0|3,0,0]=4 211 B10R0.97 C=C(F)CSCCNC(=O)C 62a_100000189650_100000042424 [0,0,1,0,0,0|3,0,0]=4 212 B10R0.97 CC(=CCCNCC(=O)O)C 269956a_100016091260_100011217483 [0,0,1,0,0,0|3,0,0]=4 213 B10R0.97 CC(=O)CCCCCB(O)O 1458a_100000070787_200009817188 [0,0,1,0,0,0|2,0,1]=4 214 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [0,0,1,0,0,0|2,0,0]=3 215 B10R0.97 CC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200000210301 [0,0,1,0,0,0|2,0,1]=4 216 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [0,0,1,0,0,0|2,0,1]=4 217 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [0,0,1,0,0,0|2,0,0]=3 218 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [0,0,1,0,0,0|2,0,0]=3 219 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [0,0,1,0,0,0|2,0,0]=3 220 B10R0.97 CC(=O)CCCOCC(=O)C 34a_100000211253_100000685027 [0,0,1,0,0,0|3,0,0]=4 221 B10R0.97 CC(=O)CCCOCC(=O)N 34a_100000759063_100000187820 [0,0,1,0,0,0|3,0,0]=4 222 B10R0.97 CC(=O)CCCOCC(=O)N 7a_100000759063_100000187820 [0,0,1,0,0,0|3,0,0]=4 223 B10R0.97 CC(=O)CCCOCC(=O)[O-] 34a_100000759063_100020667443 [0,0,1,0,0,0|2,0,1]=4 224 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100000747473_100011215641 [0,0,1,0,0,0|3,0,0]=4 225 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100011215641_100000747473 [0,0,1,0,0,0|3,0,0]=4 226 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100011215641_100020667443 [0,0,1,0,0,0|2,0,1]=4 227 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011215641 [0,0,1,0,0,0|2,0,1]=4 228 B10R0.97 CC(=O)CCNOCC(=O)O 269956a_100000106656_100000053229 [0,0,1,0,0,0|3,0,0]=4 229 B10R0.97 CC(=O)CCOCCC(=O)C 7a_100000759926_100000053229 [0,0,1,0,0,0|3,0,0]=4 230 B10R0.97 CC(=O)CCOCCC(=O)N 34a_100000759926_100000731001 [0,0,1,0,0,0|3,0,0]=4 231 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000757172_100000053229 [0,0,1,0,0,0|3,0,0]=4 232 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000759926_100000744528 [0,0,1,0,0,0|3,0,0]=4 233 B10R0.97 CC(=O)CCOCOC(=O)C 34a_100000759926_100009813279 [0,0,1,0,0,0|3,0,0]=4 234 B10R0.97 CC(=O)CCSCCC(=O)C 62a_100000053229_100000053229 [0,0,1,0,0,0|3,0,0]=4 235 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000053229_100000744528 [0,0,1,0,0,0|3,0,0]=4 236 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000744528_100000053229 [0,0,1,0,0,0|3,0,0]=4 237 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000053229_100000076356 [0,0,1,0,0,0|3,0,0]=4 238 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000076356_100000053229 [0,0,1,0,0,0|3,0,0]=4 239 B10R0.97 CC(=O)COCCCC(=O)N 34a_100000211253_100102525003 [0,0,1,0,0,0|3,0,0]=4 240 B10R0.97 CC(=O)COCCOC(=O)C 34a_100000211253_100009814007 [0,0,1,0,0,0|3,0,0]=4 241 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [0,0,1,0,0,0|1,0,0]=2 242 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [0,0,1,0,0,0|1,0,0]=2 243 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [0,0,1,0,0,0|1,0,0]=2 244 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [0,0,1,0,0,0|1,0,0]=2 245 B10R0.97 CC(=O)NCCCCN(C)C 240690a_100025707445_100015343762 [0,0,1,0,0,0|3,0,0]=4 246 B10R0.97 CC(=O)NCCCNC(=O)C 11a_100000736810_100015343762 [0,0,1,0,0,0|2,0,0]=3 247 B10R0.97 CC(=O)NCCCNC(=O)C 240690a_100000736810_100015343762 [0,0,1,0,0,0|2,0,0]=3 248 B10R0.97 CC(=O)NCCCNC(=O)C 527a_100000736810_100103153847 [0,0,1,0,0,0|2,0,0]=3 249 B10R0.97 CC(=O)NCCNCC(=O)N 2230a_100000209853_100000747473 [0,0,1,0,0,0|2,0,0]=3 250 B10R0.97 CC(=O)NCCNCC(=O)N 2230a_100000711301_100000189650 [0,0,1,0,0,0|2,0,0]=3 251 B10R0.97 CC(=O)NCCNCC(=O)O 269956a_100016091260_100000189650 [0,0,1,0,0,0|1,0,0]=2 252 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000209853_100011218427 [0,0,1,0,0,0|2,0,1]=4 253 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000210904_100000189650 [0,0,1,0,0,0|2,0,1]=4 254 B10R0.97 CC(=O)NCCNC[C@@H](C)O 2230a_100000209853_100009817552 [0,0,1,0,0,0|2,0,1]=4 255 B10R0.97 CC(=O)NCCOCC(=O)N 34a_100000158858_100000187820 [0,0,1,0,0,0|2,0,0]=3 256 B10R0.97 CC(=O)NCCOCC(=O)[O-] 34a_100000158858_100020667443 [0,0,1,0,0,0|1,0,1]=3 257 B10R0.97 CC(=O)NCCOCC(C)O 34a_100000158858_100011218427 [0,0,1,0,0,0|2,0,1]=4 258 B10R0.97 CC(=O)NCCOC[C@@H](C)O 34a_100000158858_100009817552 [0,0,1,0,0,0|2,0,1]=4 259 B10R0.97 CC(=O)NCCOC[N+](=O)[O-] 34a_100000158858_100000761209 [0,0,1,0,0,0|2,0,1]=4 260 B10R0.97 CC(=O)NCCSCC(=O)N 62a_100000189650_100000747473 [0,0,1,0,0,0|2,0,0]=3 261 B10R0.97 CC(=O)NCCSCC(=O)N 62a_100000747473_100000189650 [0,0,1,0,0,0|2,0,0]=3 262 B10R0.97 CC(=O)NCCSCC(=O)[O-] 62a_100000189650_100020667443 [0,0,1,0,0,0|1,0,1]=3 263 B10R0.97 CC(=O)NCCSCC(=O)[O-] 62a_100020667443_100000189650 [0,0,1,0,0,0|1,0,1]=3 264 B10R0.97 CC(=O)NCCSCC(C)O 62a_100000189650_100011218427 [0,0,1,0,0,0|2,0,1]=4 265 B10R0.97 CC(=O)NCCSCC(C)O 62a_100011218427_100000189650 [0,0,1,0,0,0|2,0,1]=4 266 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100000189650_100009817552 [0,0,1,0,0,0|2,0,1]=4 267 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100009817552_100000189650 [0,0,1,0,0,0|2,0,1]=4 268 B10R0.97 CC(=O)NCCSC[N+](=O)[O-] 62a_100000189650_100000761209 [0,0,1,0,0,0|2,0,1]=4 269 B10R0.97 CC(=O)OCCNCC(=O)O 269956a_100016091260_100009814007 [0,0,1,0,0,0|2,0,0]=3 270 B10R0.97 CC(=O)OCCSCC(=O)N 62a_100000747473_100009814007 [0,0,1,0,0,0|3,0,0]=4 271 B10R0.97 CC(=O)OCCSCC(=O)N 62a_100009814007_100000747473 [0,0,1,0,0,0|3,0,0]=4 272 B10R0.97 CC(=O)OCCSCC(=O)[O-] 62a_100009814007_100020667443 [0,0,1,0,0,0|2,0,1]=4 273 B10R0.97 CC(=O)OCCSCC(=O)[O-] 62a_100020667443_100009814007 [0,0,1,0,0,0|2,0,1]=4 274 B10R0.97 CC(=O)OCNOCC(=O)O 269956a_100000106656_100000076356 [0,0,1,0,0,0|3,0,0]=4 275 B10R0.97 CC(=O)OCOCCC(=O)N 34a_100000757172_100009813279 [0,0,1,0,0,0|3,0,0]=4 276 B10R0.97 CC(=O)OCSCCC(=O)N 62a_100000076356_100000744528 [0,0,1,0,0,0|3,0,0]=4 277 B10R0.97 CC(=O)OCSCCC(=O)N 62a_100000744528_100000076356 [0,0,1,0,0,0|3,0,0]=4 278 B10R0.97 CC(C)NCCCCC(=O)N 34a_100000696515_100000210206 [0,0,1,0,0,0|2,0,1]=4 279 B10R0.97 CC(C)NCCOCC(=O)O 269956a_100000700818_100000210206 [0,0,1,0,0,0|2,0,1]=4 280 B10R0.97 NC(=O)CCCNCC(=O)O 269956a_100016091260_100102525003 [0,0,1,0,0,0|3,0,0]=4 281 B10R0.97 NC(=O)CNCCNC(=O)N 2230a_100000711301_200000034859 [0,0,1,0,0,0|3,0,0]=4 282 B10R0.97 NC(=O)CNCCNC(=O)N 34a_100020590234_100000187820 [0,0,1,0,0,0|3,0,0]=4 283 B10R0.97 NC(=O)COCCNC(=O)N 34a_100000181757_100000187820 [0,0,1,0,0,0|3,0,0]=4 284 B10R0.97 NC(=O)CSCCNC(=O)N 62a_100000747473_200000034859 [0,0,1,0,0,0|3,0,0]=4 285 B10R0.97 NC(=O)CSCCNC(=O)N 62a_200000034859_100000747473 [0,0,1,0,0,0|3,0,0]=4 286 B10R0.97 NC(=O)NCCNCC(=O)O 269956a_100016091260_200000034859 [0,0,1,0,0,0|2,0,0]=3 287 B10R0.97 NC(=O)NCCNCC(=O)[O-] 34a_100020590234_100020667443 [0,0,1,0,0,0|2,0,1]=4 288 B10R0.97 NC(=O)NCCOCC(=O)[O-] 34a_100000181757_100020667443 [0,0,1,0,0,0|2,0,1]=4 289 B10R0.97 NC(=O)NCCSCC(=O)[O-] 62a_100020667443_200000034859 [0,0,1,0,0,0|2,0,1]=4 290 B10R0.97 NC(=O)NCCSCC(=O)[O-] 62a_200000034859_100020667443 [0,0,1,0,0,0|2,0,1]=4 291 B10R0.97 [13CH3]C(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200025704644 [0,0,1,0,0,0|2,0,1]=4 292 B12R2.1145 CC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_200000210301 [0,0,0,1,0,0|1,0,0]=2 293 B12R2.1145 CC(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_200000210301 [0,0,0,1,0,0|1,0,0]=2 294 B12R2.1145 [13CH3]C(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_200025704644 [0,0,0,1,0,0|1,0,0]=2 295 B12R2.1145 [13CH3]C(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_200025704644 [0,0,0,1,0,0|1,0,0]=2 296 B12R2.1356 CC(=O)N1CCCC1C2CC2 11a_200000757794_100015343762 [0,0,0,1,0,0|2,0,1]=4 297 B12R2.1356 CC(=O)N1CCCC1C2CC2 1626a_200000757794_100015343762 [0,0,0,1,0,0|2,0,1]=4 298 B12R2.1356 CC(=O)N1CCCC1C2CC2 240690a_200000757794_100015343762 [0,0,0,1,0,0|2,0,1]=4 299 B12R2.1356 CC(=O)N1CCCC1C2CC2 527a_200000757794_100103153847 [0,0,0,1,0,0|2,0,1]=4 300 B12R2.1356 O=C(O)C1SCCN1C2CC2 269956a_100000035718_100000211595 [0,0,0,1,0,0|2,0,1]=4 301 B12R2.1356 O=C(O)[C@@H]1CCCN1C2CC2 269956a_100000743916_100000211595 [0,0,0,1,0,0|1,0,1]=3 302 B12R2.1356 O=C(O)[C@@H]1CSCN1C2CC2 269956a_100000743924_100000211595 [0,0,0,1,0,0|2,0,1]=4 303 B10R1.361 CC(=O)N1CC[C@H]1C(=O)[13CH3] 1458a_200015362969_200025704644 [0,0,0,0,1,0|1,0,0]=2 304 B10R1.361 CC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_200000210301 [0,0,0,0,1,0|1,0,0]=2 305 B10R1.361 CC(C)N1CCC1C(=O)O 269956a_100000021838_100000210206 [0,0,0,0,1,0|1,0,1]=3 306 B12R1.258 CC(=O)C1CCCN(C1)C(=O)C 1458a_100000194941_200000210301 [0,0,0,0,0,1|1,0,0]=2 307 B12R1.258 CC(=O)C1CCCN(C1)C(=O)N 1458a_100000212328_200000210301 [0,0,0,0,0,1|2,0,0]=3 308 B12R1.258 CC(=O)C1CCCN(C1)C(C)C 1458a_100015184606_200000210301 [0,0,0,0,0,1|2,0,1]=4 309 B12R1.258 CC(=O)N1CCCC(C1)C(=O)N 11a_100000195536_100015343762 [0,0,0,0,0,1|1,0,0]=2 310 B12R1.258 CC(=O)N1CCCC(C1)C(=O)N 240690a_100000195536_100015343762 [0,0,0,0,0,1|1,0,0]=2 311 B12R1.258 CC(=O)N1CCCC(C1)C(=O)[13CH3] 1458a_100000194941_200025704644 [0,0,0,0,0,1|1,0,0]=2 312 B12R1.258 CC(=O)N1CCCC(C1)C(C)O 240690a_100000740858_100015343762 [0,0,0,0,0,1|1,0,1]=3 313 B12R1.258 CC(=O)N1CCCC(C1)C(C)O 527a_100000740858_100103153847 [0,0,0,0,0,1|1,0,1]=3 314 B12R1.258 CC(=O)N1CCCC(C1)N(C)C 11a_100011292519_100015343762 [0,0,0,0,0,1|3,0,0]=4 315 B12R1.258 CC(=O)N1CCCC(C1)N(C)C 240690a_100011292519_100015343762 [0,0,0,0,0,1|3,0,0]=4 316 B12R1.258 CC(=O)N1CCCC(C1)N(C)C 527a_100011292519_100103153847 [0,0,0,0,0,1|3,0,0]=4 317 B12R1.258 CC(=O)N1CCOC(C1)C(=O)N 240690a_100000748043_100015343762 [0,0,0,0,0,1|2,0,0]=3 318 B12R1.258 CC(=O)N1CCOC(C1)C(=O)N 527a_100000748043_100103153847 [0,0,0,0,0,1|2,0,0]=3 319 B12R1.258 CC(C)N1CCCC(C1)C(=O)N 2230a_100000195536_100000210206 [0,0,0,0,0,1|2,0,1]=4 320 B12R1.258 CC(C)N1CCCC(C1)C(=O)N 269982a_100000195536_100000210206 [0,0,0,0,0,1|2,0,1]=4 321 B12R1.258 CC(C)N1CCCC(C1)C(=O)N 34a_100000195536_100000210206 [0,0,0,0,0,1|2,0,1]=4 322 B12R1.258 CC(C)N1CCCC(C1)C(=O)[13CH3] 1458a_100015184606_200025704644 [0,0,0,0,0,1|2,0,1]=4 323 B12R1.258 [13CH3]C(=O)C1CCCN(C1)C(=O)N 1458a_100000212328_200025704644 [0,0,0,0,0,1|2,0,0]=3 324 B12R1.261 CC(=O)C1CCCCN1C(=O)C 1458a_100000195068_200000210301 [0,0,0,0,0,1|1,0,0]=2 325 B12R1.261 CC(=O)C1CCCCN1C(C)C 1458a_100000755935_200000210301 [0,0,0,0,0,1|2,0,1]=4 326 B12R1.261 CC(=O)N1CCCCC1C(=O)N 1626a_100000181395_100015343762 [0,0,0,0,0,1|1,0,0]=2 327 B12R1.261 CC(=O)N1CCCCC1C(=O)N 527a_100000181395_100103153847 [0,0,0,0,0,1|1,0,0]=2 328 B12R1.261 CC(=O)N1CCCCC1C(=O)[13CH3] 1458a_100000195068_200025704644 [0,0,0,0,0,1|1,0,0]=2 329 B12R1.261 CC(=O)N1CCCCC1C(C)C 11a_100000757267_100015343762 [0,0,0,0,0,1|2,0,1]=4 330 B12R1.261 CC(=O)N1CCCCC1C(C)C 1626a_100000757267_100015343762 [0,0,0,0,0,1|2,0,1]=4 331 B12R1.261 CC(=O)N1CCCCC1C(C)C 240690a_100000757267_100015343762 [0,0,0,0,0,1|2,0,1]=4 332 B12R1.261 CC(=O)N1CCOC[C@@H]1C(C)C 11a_100025712635_100015343762 [0,0,0,0,0,1|2,0,1]=4 333 B12R1.261 CC(=O)N1CCOC[C@@H]1C(C)C 1626a_100025712635_100015343762 [0,0,0,0,0,1|2,0,1]=4 334 B12R1.261 CC(=O)N1CCOC[C@@H]1C(C)C 240690a_100025712635_100015343762 [0,0,0,0,0,1|2,0,1]=4 335 B12R1.261 CC(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_200000210301 [0,0,0,0,0,1|2,0,0]=3 336 B12R1.261 CC(C)N1CCCCC1C(=O)N 2230a_100000181395_100000210206 [0,0,0,0,0,1|2,0,1]=4 337 B12R1.261 CC(C)N1CCCCC1C(=O)N 269982a_100000181395_100000210206 [0,0,0,0,0,1|2,0,1]=4 338 B12R1.261 CC(C)N1CCCCC1C(=O)N 34a_100000181395_100000210206 [0,0,0,0,0,1|2,0,1]=4 339 B12R1.261 CC(C)N1CCCCC1C(=O)[13CH3] 1458a_100000755935_200025704644 [0,0,0,0,0,1|2,0,1]=4 340 B12R1.261 CC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210206 [0,0,0,0,0,1|1,0,1]=3 341 B12R1.261 CC(C)N1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210206 [0,0,0,0,0,1|1,0,1]=3 342 B12R1.261 CC(C)N1CCSCC1C(=O)O 269956a_100011346106_100000210206 [0,0,0,0,0,1|1,0,1]=3 343 B12R1.261 CC(C)N1CSCCC1C(=O)O 269956a_100015185162_100000210206 [0,0,0,0,0,1|1,0,1]=3 344 B12R1.261 [13CH3]C(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_200025704644 [0,0,0,0,0,1|2,0,0]=3 345 B12R1.392 C=C(C)CN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000748629 [0,0,0,0,0,1|1,0,2]=4 346 B12R1.392 C=C(C)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100000748629 [0,0,0,0,0,1|2,0,0]=3 347 B12R1.392 C=C(C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000748629 [0,0,0,0,0,1|1,0,0]=2 348 B12R1.392 C=C(C)CN1CCSC1C(=O)O 269956a_100000035718_100000748629 [0,0,0,0,0,1|2,0,0]=3 349 B12R1.392 C=C(C)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100000748629 [0,0,0,0,0,1|2,0,0]=3 350 B12R1.392 C=C(F)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100009893438 [0,0,0,0,0,1|2,0,1]=4 351 B12R1.392 C=C(F)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000042424 [0,0,0,0,0,1|1,0,1]=3 352 B12R1.392 C=C(F)CN1CCSC1C(=O)O 269956a_100000035718_100000042424 [0,0,0,0,0,1|2,0,1]=4 353 B12R1.392 C=C(F)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100000042424 [0,0,0,0,0,1|2,0,1]=4 354 B12R1.392 CC(=O)C1CCCN1CC(C)C 1458a_100000737922_200000210301 [0,0,0,0,0,1|2,0,1]=4 355 B12R1.392 CC(=O)N1CCCC1CC(C)C 11a_100000748429_100015343762 [0,0,0,0,0,1|2,0,1]=4 356 B12R1.392 CC(=O)N1CCCC1CC(C)C 1626a_100000748429_100015343762 [0,0,0,0,0,1|2,0,1]=4 357 B12R1.392 CC(=O)N1CCCC1CC(C)C 240690a_100000748429_100015343762 [0,0,0,0,0,1|2,0,1]=4 358 B12R1.392 CC(=O)N1CCCC1CC(C)C 527a_100000748429_100103153847 [0,0,0,0,0,1|2,0,1]=4 359 B12R1.392 CC(=O)N1CCC[C@@H]1CN(C)C 11a_200020645772_100015343762 [0,0,0,0,0,1|3,0,0]=4 360 B12R1.392 CC(=O)N1CCC[C@@H]1CN(C)C 240690a_200020645772_100015343762 [0,0,0,0,0,1|3,0,0]=4 361 B12R1.392 CC(=O)N1CCC[C@@H]1CN(C)C 527a_200020645772_100103153847 [0,0,0,0,0,1|3,0,0]=4 362 B12R1.392 CC(C)CN1CCCC1C(=O)[13CH3] 1458a_100000737922_200025704644 [0,0,0,0,0,1|2,0,1]=4 363 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210760 [0,0,0,0,0,1|2,0,1]=4 364 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)N 270004a_100000003125_100000210432 [0,0,0,0,0,1|2,0,1]=4 365 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210760 [0,0,0,0,0,1|1,0,1]=3 366 B12R1.392 CC(C)CN1CCSC1C(=O)O 269956a_100000035718_100000210760 [0,0,0,0,0,1|2,0,1]=4 367 B12R1.392 CC(C)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210760 [0,0,0,0,0,1|2,0,1]=4 368 B12R1.392 CC(O)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100011218427 [0,0,0,0,0,1|1,0,2]=4 369 B12R1.392 CC(O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218427 [0,0,0,0,0,1|0,0,2]=3 370 B12R1.392 CC(O)CN1CCSC1C(=O)O 269956a_100000035718_100011218427 [0,0,0,0,0,1|1,0,2]=4 371 B12R1.392 CC(O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100011218427 [0,0,0,0,0,1|1,0,2]=4 372 B12R1.392 C[C@@H](O)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100009817552 [0,0,0,0,0,1|1,0,2]=4 373 B12R1.392 C[C@@H](O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100009817552 [0,0,0,0,0,1|0,0,2]=3 374 B12R1.392 C[C@@H](O)CN1CCSC1C(=O)O 269956a_100000035718_100009817552 [0,0,0,0,0,1|1,0,2]=4 375 B12R1.392 C[C@@H](O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100009817552 [0,0,0,0,0,1|1,0,2]=4 376 B12R1.392 NC(=O)CN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000187820 [0,0,0,0,0,1|1,0,2]=4 377 B12R1.392 NC(=O)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100000747473 [0,0,0,0,0,1|2,0,0]=3 378 B12R1.392 NC(=O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000187820 [0,0,0,0,0,1|1,0,0]=2 379 B12R1.392 NC(=O)CN1CCSC1C(=O)O 269956a_100000035718_100000187820 [0,0,0,0,0,1|2,0,0]=3 380 B12R1.392 NC(=O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100000187820 [0,0,0,0,0,1|2,0,0]=3 381 B12R1.392 O=C(O)C1SCCN1C[N+](=O)[O-] 269956a_100000035718_100000761209 [0,0,0,0,0,1|3,0,0]=4 382 B12R1.392 O=C(O)[C@@H]1CCCN1CC(F)F 269956a_100000743916_100011934356 [0,0,0,0,0,1|2,0,1]=4 383 B12R1.392 O=C(O)[C@@H]1CCCN1C[N+](=O)[O-] 269956a_100000743916_100000761209 [0,0,0,0,0,1|2,0,0]=3 384 B12R1.392 O=C(O)[C@@H]1CSCN1C[N+](=O)[O-] 269956a_100000743924_100000761209 [0,0,0,0,0,1|3,0,0]=4 385 B12R1.392 O=C([O-])CN1CC=C[C@H]1C(=O)O 269956a_100000057196_100020667443 [0,0,0,0,0,1|1,0,2]=4 386 B12R1.392 O=C([O-])CN1CCC[C@H]1C(=O)O 269956a_100000743916_100020667443 [0,0,0,0,0,1|1,0,0]=2 387 B12R1.392 O=C([O-])CN1CCSC1C(=O)O 269956a_100000035718_100020667443 [0,0,0,0,0,1|2,0,0]=3 388 B12R1.392 O=C([O-])CN1CSC[C@H]1C(=O)O 269956a_100000743924_100020667443 [0,0,0,0,0,1|2,0,0]=3 389 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [1,0,1,0,0,0|1,0,1]=4 390 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [1,0,1,0,0,0|1,0,1]=4 391 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [1,0,1,0,0,0|1,0,1]=4 392 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [1,0,1,0,0,0|1,0,1]=4 393 B9R0.14 CCCN(CC)CC(=O)N 2230a_100000226822_100000747473 [1,0,1,0,0,0|1,0,1]=4 394 B9R0.14 CCCN(CC)CC(=O)N 269982a_100000226822_100000187820 [1,0,1,0,0,0|1,0,1]=4 395 B9R0.14 CCCN(CC)CC(=O)O 269956a_100000746405_100000210207 [1,0,1,0,0,0|0,0,1]=3 396 B9R0.14 CCCN(CC)CC(=O)[O-] 269982a_100000226822_100020667443 [1,0,1,0,0,0|0,0,2]=4 397 B9R0.14 CCC[C@@H](CO)NC(=O)C 240690a_100000732646_100015343762 [1,0,1,0,0,0|0,0,1]=3 398 B9R0.14 CCC[C@@H](CO)NC(=O)C 527a_100000732646_100103153847 [1,0,1,0,0,0|0,0,1]=3 399 B9R0.14 CCN(CCF)CC(=O)O 269956a_100000746405_100011217306 [1,0,1,0,0,0|1,0,1]=4 400 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000746405_100000211926 [1,0,1,0,0,0|1,0,1]=4 401 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000747938_100000210202 [1,0,1,0,0,0|1,0,1]=4 402 B9R0.14 CCN(COC)CC(=O)O 269956a_100000746405_100000766300 [1,0,1,0,0,0|1,0,1]=4 403 B9R0.14 CCN(CSC)CC(=O)O 269956a_100000746405_100011218213 [1,0,1,0,0,0|1,0,1]=4 404 B9R0.14 COCC(CO)NC(=O)C 240690a_100000724102_100015343762 [1,0,1,0,0,0|1,0,1]=4 405 B9R0.14 COCC(CO)NC(=O)C 527a_100000724102_100103153847 [1,0,1,0,0,0|1,0,1]=4 406 B9R0.15 CC(=O)N(CCO)CCO 240690a_100000210587_100015343762 [1,0,1,0,0,0|1,0,1]=4 407 B9R0.15 CCCN(CC=O)C(C)C 2230a_106256033942_200015260668 [1,0,1,0,0,0|1,0,1]=4 408 B9R0.15 CCCN(CC=O)C(C)C 269982a_106256033942_200015260668 [1,0,1,0,0,0|1,0,1]=4 409 B9R0.15 CCCN(CCC)C(=O)C 11a_100000210455_100015343762 [1,0,1,0,0,0|1,0,1]=4 410 B9R0.15 CCCN(CCC)C(=O)C 1626a_100000210455_100015343762 [1,0,1,0,0,0|1,0,1]=4 411 B9R0.15 CCCN(CCC)C(=O)C 240690a_100000210455_100015343762 [1,0,1,0,0,0|1,0,1]=4 412 B9R0.15 CCCN(CCC)C(=O)C 527a_100000210455_100103153847 [1,0,1,0,0,0|1,0,1]=4 413 B9R0.15 CCCN(CCO)C(=O)C 240690a_100000211420_100015343762 [1,0,1,0,0,0|0,0,1]=3 414 B9R0.15 CCC[C@H](NCC)C(=O)N 2230a_100000729256_100000210202 [1,0,1,0,0,0|1,0,1]=4 415 B9R0.15 CCC[C@H](NCC)C(=O)N 34a_100000729256_100000210202 [1,0,1,0,0,0|1,0,1]=4 416 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [1,0,1,0,0,0|0,0,1]=3 417 B9R0.15 CCC[C@H](NCF)C(=O)O 269956a_100000750406_100015361967 [1,0,1,0,0,0|1,0,1]=4 418 B9R0.15 CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210202 [1,0,1,0,0,0|1,0,1]=4 419 B9R0.15 CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210202 [1,0,1,0,0,0|1,0,1]=4 420 B9R0.15 CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210202 [1,0,1,0,0,0|1,0,1]=4 421 B9R0.39 C=C(C)CN(CC)C(=O)C 11a_100000211296_100015343762 [1,0,1,0,0,0|2,0,0]=4 422 B9R0.39 C=C(C)CN(CC)C(=O)C 1626a_100000211296_100015343762 [1,0,1,0,0,0|2,0,0]=4 423 B9R0.39 C=C(C)CN(CC)C(=O)C 527a_100000211296_100103153847 [1,0,1,0,0,0|2,0,0]=4 424 B9R0.39 CC(=O)NC(CO)C(=O)C 1458a_200011194110_200000210301 [1,0,1,0,0,0|2,0,0]=4 425 B9R0.39 CC(=O)NC(CO)C(=O)[13CH3] 1458a_200011194110_200025704644 [1,0,1,0,0,0|2,0,0]=4 426 B9R0.39 CC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100015343762 [1,0,1,0,0,0|2,0,0]=4 427 B9R0.39 CCC(NC(=O)C)C(=O)C 1458a_100000195128_200000210301 [1,0,1,0,0,0|1,0,0]=3 428 B9R0.39 CCC(NC(=O)C)C(=O)N 11a_100000733705_100015343762 [1,0,1,0,0,0|1,0,0]=3 429 B9R0.39 CCC(NC(=O)C)C(=O)N 1626a_100000733705_100015343762 [1,0,1,0,0,0|1,0,0]=3 430 B9R0.39 CCC(NC(=O)C)C(=O)N 240690a_100000733705_100015343762 [1,0,1,0,0,0|1,0,0]=3 431 B9R0.39 CCC(NC(=O)C)C(=O)N 527a_100000733705_100103153847 [1,0,1,0,0,0|1,0,0]=3 432 B9R0.39 CCC(NC(=O)C)C(=O)[13CH3] 1458a_100000195128_200025704644 [1,0,1,0,0,0|1,0,0]=3 433 B9R0.39 CCC(NC(=O)N)C(=O)C 1458a_100000203762_200000210301 [1,0,1,0,0,0|2,0,0]=4 434 B9R0.39 CCC(NC(=O)N)C(=O)[13CH3] 1458a_100000203762_200025704644 [1,0,1,0,0,0|2,0,0]=4 435 B9R0.39 CCN(CC(=O)O)C(C)C 269956a_100000746405_100000210206 [1,0,1,0,0,0|1,0,1]=4 436 B9R0.39 CCN(C[C@H](C)O)C(=O)C 240690a_100000729506_100015343762 [1,0,1,0,0,0|1,0,1]=4 437 B9R0.39 CCN(C[C@H](C)O)C(=O)C 527a_100000729506_100103153847 [1,0,1,0,0,0|1,0,1]=4 438 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [1,0,1,0,0,0|1,0,1]=4 439 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 11a_100161114882_100015343762 [1,0,1,0,0,0|1,0,1]=4 440 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 1626a_100161114882_100015343762 [1,0,1,0,0,0|1,0,1]=4 441 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 240690a_100161114882_100015343762 [1,0,1,0,0,0|1,0,1]=4 442 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 527a_100161114882_100103153847 [1,0,1,0,0,0|1,0,1]=4 443 B9R0.29 CCC(C(=O)C)N(C)CC 1458a_100011345578_200000210301 [1,0,1,0,0,0|1,0,1]=4 444 B9R0.29 CCC(C(=O)N)N(C)CC 2230a_100000225621_100000750255 [1,0,1,0,0,0|1,0,1]=4 445 B9R0.29 CCC(C(=O)N)N(C)CC 269982a_100000225621_100000750255 [1,0,1,0,0,0|1,0,1]=4 446 B9R0.29 CCC(C(=O)[13CH3])N(C)CC 1458a_100011345578_200025704644 [1,0,1,0,0,0|1,0,1]=4 447 B9R0.29 CCC(C)N(CC)C(=O)C 11a_100000732650_100015343762 [1,0,1,0,0,0|1,0,1]=4 448 B9R0.29 CCC(C)N(CC)C(=O)C 1626a_100000732650_100015343762 [1,0,1,0,0,0|1,0,1]=4 449 B9R0.29 CCC(C)N(CC)C(=O)C 240690a_100000732650_100015343762 [1,0,1,0,0,0|1,0,1]=4 450 B9R0.29 CCC(C)N(CC)C(=O)C 527a_100000732650_100103153847 [1,0,1,0,0,0|1,0,1]=4 451 B9R0.29 CCN(C(=O)C)C(C)CO 240690a_100000731049_100015343762 [1,0,1,0,0,0|0,0,1]=3 452 B9R0.29 CCN(C(=O)C)C(C)CO 527a_100000731049_100103153847 [1,0,1,0,0,0|0,0,1]=3 453 B9R0.29 CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210202 [1,0,1,0,0,0|1,0,1]=4 454 B9R0.29 CC[C@@H](C(=O)N)N(C)CC 2230a_103436537554_100000210202 [1,0,1,0,0,0|1,0,1]=4 455 B9R0.29 CC[C@@H](C(=O)N)N(C)CC 269982a_103436537554_100000204670 [1,0,1,0,0,0|1,0,1]=4 456 B9R0.41 CCC(CC)N(C)C(=O)C 11a_100000737045_100015343762 [1,0,1,0,0,0|1,0,1]=4 457 B9R0.41 CCC(CC)N(C)C(=O)C 1626a_100000737045_100015343762 [1,0,1,0,0,0|1,0,1]=4 458 B9R0.41 CCC(CC)N(C)C(=O)C 240690a_100000737045_100015343762 [1,0,1,0,0,0|1,0,1]=4 459 B9R0.41 CCC(CC)N(C)C(=O)C 527a_100000737045_100103153847 [1,0,1,0,0,0|1,0,1]=4 460 B9R0.41 CCN(CC)C(C)C(=O)C 2230a_100000724800_100009814033 [1,0,1,0,0,0|1,0,1]=4 461 B9R0.41 CCN(CC)C(C)C(=O)C 269956a_100000042499_100009814033 [1,0,1,0,0,0|1,0,1]=4 462 B9R0.41 CCN(CC)C(C)C(=O)C 269982a_100000724800_100009814033 [1,0,1,0,0,0|1,0,1]=4 463 B9R0.41 CCN(CC)C(C)C(=O)N 2230a_100000724800_100000702099 [1,0,1,0,0,0|1,0,1]=4 464 B9R0.41 CCN(CC)C(C)C(=O)N 2230a_100020603310_100000210202 [1,0,1,0,0,0|1,0,1]=4 465 B9R0.41 CCN(CC)C(C)C(=O)N 269982a_100000724800_100000184083 [1,0,1,0,0,0|1,0,1]=4 466 B9R0.41 CCN(CC)C(C)C(=O)N 269982a_100020603310_100000204670 [1,0,1,0,0,0|1,0,1]=4 467 B9R0.79 CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000210206 [1,0,1,0,0,0|1,0,1]=4 468 B9R0.2 C#CCCCCNC(=O)C 11a_100000706060_100015343762 [1,0,1,0,0,0|1,0,1]=4 469 B9R0.2 C#CCCCCNC(=O)C 1626a_100000706060_100015343762 [1,0,1,0,0,0|1,0,1]=4 470 B9R0.2 C#CCCCCNC(=O)C 240690a_100000706060_100015343762 [1,0,1,0,0,0|1,0,1]=4 471 B9R0.2 C#CCCCCNC(=O)C 527a_100000706060_100103153847 [1,0,1,0,0,0|1,0,1]=4 472 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [1,0,1,0,0,0|2,0,0]=4 473 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [1,0,1,0,0,0|2,0,0]=4 474 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [1,0,1,0,0,0|2,0,0]=4 475 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [1,0,1,0,0,0|1,0,0]=3 476 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [1,0,1,0,0,0|1,0,0]=3 477 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [1,0,1,0,0,0|1,0,0]=3 478 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [1,0,1,0,0,0|1,0,0]=3 479 B9R0.2 C=CCNCCNC(=O)C 2230a_100000209853_100000210623 [1,0,1,0,0,0|2,0,0]=4 480 B9R0.2 C=CCNCCNC(=O)C 2230a_100020586998_100000189650 [1,0,1,0,0,0|2,0,0]=4 481 B9R0.2 C=CCOCCNC(=O)C 34a_100000158858_100015514636 [1,0,1,0,0,0|2,0,0]=4 482 B9R0.2 C=CCSCCNC(=O)C 62a_100000189650_100000210623 [1,0,1,0,0,0|2,0,0]=4 483 B9R0.2 C=CCSCCNC(=O)C 62a_100000210623_100000189650 [1,0,1,0,0,0|2,0,0]=4 484 B9R0.2 C=COCCCNC(=O)C 11a_100000210767_100015343762 [1,0,1,0,0,0|2,0,0]=4 485 B9R0.2 C=COCCCNC(=O)C 1626a_100000210767_100015343762 [1,0,1,0,0,0|2,0,0]=4 486 B9R0.2 C=COCCCNC(=O)C 240690a_100000210767_100015343762 [1,0,1,0,0,0|2,0,0]=4 487 B9R0.2 C=COCCCNC(=O)C 527a_100000210767_100103153847 [1,0,1,0,0,0|2,0,0]=4 488 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [1,0,1,0,0,0|1,0,1]=4 489 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [1,0,1,0,0,0|1,0,1]=4 490 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [1,0,1,0,0,0|2,0,0]=4 491 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [1,0,1,0,0,0|2,0,0]=4 492 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [1,0,1,0,0,0|2,0,0]=4 493 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [1,0,1,0,0,0|2,0,0]=4 494 B9R0.2 CC(=O)NCCCCC#N 11a_100000751965_100015343762 [1,0,1,0,0,0|1,0,1]=4 495 B9R0.2 CC(=O)NCCCCC#N 1626a_100000751965_100015343762 [1,0,1,0,0,0|1,0,1]=4 496 B9R0.2 CC(=O)NCCCCC#N 240690a_100000751965_100015343762 [1,0,1,0,0,0|1,0,1]=4 497 B9R0.2 CC(=O)NCCCCC#N 527a_100000751965_100103153847 [1,0,1,0,0,0|1,0,1]=4 498 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [1,0,1,0,0,0|0,0,1]=3 499 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [1,0,1,0,0,0|2,0,0]=4 500 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [1,0,1,0,0,0|2,0,0]=4 501 B9R0.2 CC(=O)NCCNCC=O 2230a_100000209853_200015260668 [1,0,1,0,0,0|1,0,0]=3 502 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [1,0,1,0,0,0|1,0,1]=4 503 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [1,0,1,0,0,0|1,0,1]=4 504 B9R0.2 CC(=O)NCCOCC=O 34a_100000158858_200009817547 [1,0,1,0,0,0|1,0,0]=3 505 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [1,0,1,0,0,0|1,0,1]=4 506 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [1,0,1,0,0,0|1,0,1]=4 507 B9R0.2 CC(=O)NCCSCC=O 62a_100000189650_200015260668 [1,0,1,0,0,0|1,0,0]=3 508 B9R0.2 CC(=O)NCCSCC=O 62a_200015260668_100000189650 [1,0,1,0,0,0|1,0,0]=3 509 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [1,0,1,0,0,0|1,0,1]=4 510 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [1,0,1,0,0,0|1,0,1]=4 511 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [1,0,1,0,0,0|1,0,1]=4 512 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [1,0,1,0,0,0|1,0,1]=4 513 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [1,0,1,0,0,0|2,0,0]=4 514 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [1,0,1,0,0,0|2,0,0]=4 515 B9R0.2 CC(C)NCCCCC=O 2230a_100138425928_100000139335 [1,0,1,0,0,0|1,0,1]=4 516 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [1,0,1,0,0,0|1,0,1]=4 517 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [1,0,1,0,0,0|1,0,1]=4 518 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [1,0,1,0,0,0|1,0,1]=4 519 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [1,0,1,0,0,0|1,0,1]=4 520 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [1,0,1,0,0,0|1,0,1]=4 521 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [1,0,1,0,0,0|1,0,1]=4 522 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [1,0,1,0,0,0|2,0,0]=4 523 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [1,0,1,0,0,0|2,0,0]=4 524 B9R0.2 NC(=O)NCCNCC=O 34a_100020590234_200009817547 [1,0,1,0,0,0|2,0,0]=4 525 B9R0.2 NC(=O)NCCOCC=O 34a_100000181757_200009817547 [1,0,1,0,0,0|2,0,0]=4 526 B9R0.2 NC(=O)NCCSCC=O 62a_200000034859_200015260668 [1,0,1,0,0,0|2,0,0]=4 527 B9R0.2 NC(=O)NCCSCC=O 62a_200015260668_200000034859 [1,0,1,0,0,0|2,0,0]=4 528 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [1,0,1,0,0,0|2,0,0]=4 529 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [1,0,1,0,0,0|1,0,1]=4 530 B9R1.14 CCN1CCC[C@@H]1CO 2230a_100000745186_100000210202 [2,0,0,0,0,0|0,0,2]=4 531 B9R1.14 CCN1CCC[C@@H]1CO 269982a_100000745186_100000204670 [2,0,0,0,0,0|0,0,2]=4 532 B9R1.14 CCN1CCC[C@@H]1CO 34a_100000745186_100000210202 [2,0,0,0,0,0|0,0,2]=4 533 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [2,0,0,0,0,0|1,0,1]=4 534 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [2,0,0,0,0,0|1,0,1]=4 535 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [2,0,0,0,0,0|0,0,1]=3 536 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [2,0,0,0,0,0|0,0,1]=3 537 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [2,0,0,0,0,0|0,0,1]=3 538 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [2,0,0,0,0,0|0,0,1]=3 539 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [2,0,0,0,0,0|0,0,1]=3 540 B9R1.41 CC(=O)N1CCSC1C 11a_200011216479_100015343762 [2,0,0,0,0,0|1,0,1]=4 541 B9R1.41 CC(=O)N1CCSC1C 1626a_200011216479_100015343762 [2,0,0,0,0,0|1,0,1]=4 542 B9R1.41 CC(=O)N1CCSC1C 240690a_200011216479_100015343762 [2,0,0,0,0,0|1,0,1]=4 543 B9R1.41 CC(=O)N1CCSC1C 527a_200011216479_100103153847 [2,0,0,0,0,0|1,0,1]=4 544 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [2,0,0,0,0,0|1,0,0]=3 545 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [2,0,0,0,0,0|1,0,1]=4 546 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [2,0,0,0,0,0|0,0,2]=4 547 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [2,0,0,0,0,0|1,0,0]=3 548 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [2,0,0,0,0,0|0,0,0]=2 549 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [2,0,0,0,0,0|1,0,0]=3 550 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [2,0,0,0,0,0|1,0,0]=3 551 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [2,0,0,0,0,0|1,0,0]=3 552 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [2,0,0,0,0,0|0,0,2]=4 553 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [2,0,0,0,0,0|1,0,0]=3 554 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [2,0,0,0,0,0|0,0,0]=2 555 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [2,0,0,0,0,0|1,0,0]=3 556 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [2,0,0,0,0,0|1,0,0]=3 557 B11R0.16 CCC[C@H](NC(C)(C)C)C(=O)O 269956a_100000750406_100000211941 [0,1,1,0,0,0|1,0,1]=4 558 B11R0.16 CCC[C@H](NS(=O)(=O)C)C(=O)N 40a_100000729256_100000738038 [0,1,1,0,0,0|2,0,0]=4 559 B11R0.32 CC(=O)N(CC(C)O)CC(C)O 240690a_100011218400_100015343762 [0,1,1,0,0,0|1,0,1]=4 560 B11R0.32 CC(=O)N(CC(C)O)CC(C)O 527a_100011218400_100103153847 [0,1,1,0,0,0|1,0,1]=4 561 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)C 1458a_100000699969_200000210301 [0,1,1,0,0,0|1,0,0]=3 562 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N 11a_100016989234_100015343762 [0,1,1,0,0,0|1,0,0]=3 563 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N 1626a_100016989234_100015343762 [0,1,1,0,0,0|1,0,0]=3 564 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N 240690a_100016989234_100015343762 [0,1,1,0,0,0|1,0,0]=3 565 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)N 527a_100016989234_100103153847 [0,1,1,0,0,0|1,0,0]=3 566 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)[13CH3] 1458a_100000699969_200025704644 [0,1,1,0,0,0|1,0,0]=3 567 B11R0.39 C#CC[C@H](NC(=O)C)C(=O)OC 188690a_100020627700_100015343762 [0,1,1,0,0,0|0,0,2]=4 568 B11R0.39 C=CC[C@@H](NC(=O)C)C(=O)OC 188690a_100020629983_100015343762 [0,1,1,0,0,0|0,0,2]=4 569 B11R0.39 CCC(=O)C(COC)NC(=O)C 1458a_200012277492_100000210202 [0,1,1,0,0,0|2,0,0]=4 570 B11R0.39 CCCC(NC(=O)C)C(=O)NC 11a_106256046333_100015343762 [0,1,1,0,0,0|1,0,0]=3 571 B11R0.39 CCCC(NC(=O)C)C(=O)NC 1626a_106256046333_100015343762 [0,1,1,0,0,0|1,0,0]=3 572 B11R0.39 CCCC(NC(=O)C)C(=O)NC 240690a_106256046333_100015343762 [0,1,1,0,0,0|1,0,0]=3 573 B11R0.39 CCCC(NC(=O)C)C(=O)NC 527a_106256046333_100103153847 [0,1,1,0,0,0|1,0,0]=3 574 B11R0.39 CCCC(NC(=O)C)C(=O)OC 188690a_100000696665_100015343762 [0,1,1,0,0,0|0,0,0]=2 575 B11R0.39 CCCC(NC(C)C)C(=O)OC 2230a_100138425928_200009843822 [0,1,1,0,0,0|1,0,1]=4 576 B11R0.39 CCCC(NC(C)C)C(=O)OC 34a_100138425928_200009843822 [0,1,1,0,0,0|1,0,1]=4 577 B11R0.39 CCC[C@H](NC(=O)C)C(=O)CC 1458a_100011995990_100000210202 [0,1,1,0,0,0|1,0,0]=3 578 B11R0.39 CCC[C@H](NC(=O)C)C(=O)CF 1458a_100011995990_100015361967 [0,1,1,0,0,0|1,0,0]=3 579 B11R0.39 CCC[C@H](NC(=O)C)C(=O)NC 11a_106832991635_100011995990 [0,1,1,0,0,0|1,0,0]=3 580 B11R0.39 CCC[C@H](NC(=O)C)C(=O)NC 1626a_100102657272_100011995990 [0,1,1,0,0,0|1,0,0]=3 581 B11R0.39 CCC[C@H](NC(=O)C)C(=O)NC 240690a_100102657272_100011995990 [0,1,1,0,0,0|1,0,0]=3 582 B11R0.39 CCC[C@H](NC(=O)C)C(=O)NC 527a_100102657272_100011995990 [0,1,1,0,0,0|1,0,0]=3 583 B11R0.39 CNC(=O)C(COC)NC(=O)C 11a_106832991635_200012277492 [0,1,1,0,0,0|2,0,0]=4 584 B11R0.39 CNC(=O)C(COC)NC(=O)C 1626a_100102657272_200012277492 [0,1,1,0,0,0|2,0,0]=4 585 B11R0.39 CNC(=O)C(COC)NC(=O)C 240690a_100102657272_200012277492 [0,1,1,0,0,0|2,0,0]=4 586 B11R0.39 CNC(=O)C(COC)NC(=O)C 527a_100102657272_200012277492 [0,1,1,0,0,0|2,0,0]=4 587 B11R0.39 COC(=O)C(CSC)NC(=O)C 62a_100000763271_200000210301 [0,1,1,0,0,0|1,0,0]=3 588 B11R0.39 COC(=O)C(CSC)NC(=O)C 62a_200000210301_100000763271 [0,1,1,0,0,0|1,0,0]=3 589 B11R0.39 COC(=O)C(CS[13CH3])NC(=O)C 62a_100000763271_200025704644 [0,1,1,0,0,0|1,0,0]=3 590 B11R0.39 COC(=O)C(CS[13CH3])NC(=O)C 62a_200025704644_100000763271 [0,1,1,0,0,0|1,0,0]=3 591 B11R0.39 COC(=O)[C@H](CSC)NC(=O)C 188690a_100015184942_100015343762 [0,1,1,0,0,0|1,0,0]=3 592 B11R0.39 COCC(NC(=O)C)C(=O)CF 1458a_200012277492_100015361967 [0,1,1,0,0,0|2,0,0]=4 593 B11R0.39 COC[C@@H](NC(=O)C)C(=O)OC 188690a_100025726687_100015343762 [0,1,1,0,0,0|1,0,0]=3 594 B11R0.115 CC[C@H](C)[C@@H](NC(C)C)C(=O)O 269956a_100009815163_100000210206 [0,1,1,0,0,0|1,0,1]=4 595 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)C 1458a_100000729982_200000210301 [0,1,1,0,0,0|1,0,0]=3 596 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N 11a_100000758034_100015343762 [0,1,1,0,0,0|1,0,0]=3 597 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N 1626a_100000758034_100015343762 [0,1,1,0,0,0|1,0,0]=3 598 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N 240690a_100000758034_100015343762 [0,1,1,0,0,0|1,0,0]=3 599 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)N 527a_100000758034_100103153847 [0,1,1,0,0,0|1,0,0]=3 600 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)[13CH3] 1458a_100000729982_200025704644 [0,1,1,0,0,0|1,0,0]=3 601 B11R0.160 CCCCC(NC(=O)C)C(=O)C 1458a_100000194794_200000210301 [0,1,1,0,0,0|1,0,0]=3 602 B11R0.160 CCCCC(NC(=O)C)C(=O)[13CH3] 1458a_100000194794_200025704644 [0,1,1,0,0,0|1,0,0]=3 603 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 11a_100000124899_100015343762 [0,1,1,0,0,0|1,0,0]=3 604 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 1626a_100000124899_100015343762 [0,1,1,0,0,0|1,0,0]=3 605 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 240690a_100000124899_100015343762 [0,1,1,0,0,0|1,0,0]=3 606 B11R0.160 CCCC[C@H](NC(=O)C)C(=O)N 527a_100000124899_100103153847 [0,1,1,0,0,0|1,0,0]=3 607 B11R0.160 CCCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210207 [0,1,1,0,0,0|2,0,0]=4 608 B11R0.160 CSCCC(NC(=O)N)C(=O)C 1458a_100000182937_200000210301 [0,1,1,0,0,0|2,0,0]=4 609 B11R0.160 CSCCC(NC(=O)N)C(=O)[13CH3] 1458a_100000182937_200025704644 [0,1,1,0,0,0|2,0,0]=4 610 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)C 1458a_100011933958_200000210301 [0,1,1,0,0,0|1,0,0]=3 611 B11R0.160 CSCC[C@@H](NC(=O)C)C(=O)[13CH3] 1458a_100011933958_200025704644 [0,1,1,0,0,0|1,0,0]=3 612 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 11a_100000119342_100015343762 [0,1,1,0,0,0|1,0,0]=3 613 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 1626a_100000119342_100015343762 [0,1,1,0,0,0|1,0,0]=3 614 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 240690a_100000119342_100015343762 [0,1,1,0,0,0|1,0,0]=3 615 B11R0.160 CSCC[C@H](NC(=O)C)C(=O)N 527a_100000119342_100103153847 [0,1,1,0,0,0|1,0,0]=3 616 B11R0.160 CSCC[C@H](NC(C)C)C(=O)O 269956a_100000743919_100000210206 [0,1,1,0,0,0|1,0,1]=4 617 B11R0.160 C[Se]CC[C@H](NC(C)C)C(=O)O 269956a_100020619752_100000210206 [0,1,1,0,0,0|1,0,1]=4 618 B11R0.235 CCCN(CC(=O)O)C(C)(C)C 269956a_100000745166_100000210207 [0,1,1,0,0,0|1,0,1]=4 619 B11R0.236 C#CC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_200000035995 [0,1,1,0,0,0|1,0,1]=4 620 B11R0.236 C=CC(=O)N[C@@H](CCC)C(=O)N 1626a_100000729256_100000185746 [0,1,1,0,0,0|1,0,1]=4 621 B11R0.236 C=CC(=O)N[C@@H](CCC)C(=O)N 240690a_100000729256_200121576911 [0,1,1,0,0,0|1,0,1]=4 622 B11R0.236 C=CC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_100011215867 [0,1,1,0,0,0|1,0,1]=4 623 B11R0.236 CCCN(CC(=O)OC)C(C)C 2230a_106256033942_100000747449 [0,1,1,0,0,0|1,0,1]=4 624 B11R0.236 CCCN(CC(=O)OC)C(C)C 269982a_106256033942_100000747449 [0,1,1,0,0,0|1,0,1]=4 625 B11R0.236 CCCN(CC(O)CO)C(=O)C 240690a_200000156893_100015343762 [0,1,1,0,0,0|0,0,2]=4 626 B11R0.236 CCCN(CC(O)CO)C(=O)C 527a_200000156893_100103153847 [0,1,1,0,0,0|0,0,2]=4 627 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 11a_100000729256_100000210414 [0,1,1,0,0,0|1,0,0]=3 628 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 1626a_100000729256_100000210414 [0,1,1,0,0,0|1,0,0]=3 629 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 240690a_100000729256_100000210414 [0,1,1,0,0,0|1,0,0]=3 630 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 527a_100000729256_100000210414 [0,1,1,0,0,0|1,0,0]=3 631 B11R0.236 CCC[C@H](NC(=O)CO)C(=O)N 240690a_100000729256_100000210174 [0,1,1,0,0,0|1,0,0]=3 632 B11R0.236 CCC[C@H](NC(=O)CO)C(=O)N 527a_100000729256_100000210174 [0,1,1,0,0,0|1,0,0]=3 633 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 2708a_100102657272_100000729256 [0,1,1,0,0,0|1,0,0]=3 634 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 273464a_100000729256_100102657272 [0,1,1,0,0,0|1,0,0]=3 635 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 273464a_100102657272_100000729256 [0,1,1,0,0,0|1,0,0]=3 636 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 512a_100000729256_100102657272 [0,1,1,0,0,0|1,0,0]=3 637 B11R0.236 CCC[C@H](NC(=O)NC)C(=O)N 512a_106832991638_100000729256 [0,1,1,0,0,0|1,0,0]=3 638 B11R0.236 CCC[C@H](NC(C)C#N)C(=O)O 269956a_100000750406_100000184139 [0,1,1,0,0,0|1,0,1]=4 639 B11R0.236 CCC[C@H](NC(C)CC)C(=O)O 269956a_100000750406_100000758301 [0,1,1,0,0,0|1,0,1]=4 640 B11R0.236 CCC[C@H](NC(C)OC)C(=O)O 269956a_100000750406_100009879195 [0,1,1,0,0,0|0,0,2]=4 641 B11R0.236 CCC[C@H](N[C@H](C)CO)C(=O)O 269956a_100000750406_100016084084 [0,1,1,0,0,0|0,0,2]=4 642 B11R0.116 C=CC(=O)N(CC)C(C)C(=O)N 1626a_100020603310_100000185746 [0,1,1,0,0,0|1,0,1]=4 643 B11R0.116 C=CC(=O)N(CC)C(C)C(=O)N 240690a_100020603310_200121576911 [0,1,1,0,0,0|1,0,1]=4 644 B11R0.116 CCC(=O)N(CC)C(C)C(=O)N 11a_100020603310_100000210414 [0,1,1,0,0,0|1,0,0]=3 645 B11R0.116 CCC(=O)N(CC)C(C)C(=O)N 1626a_100020603310_100000210414 [0,1,1,0,0,0|1,0,0]=3 646 B11R0.116 CCC(=O)N(CC)C(C)C(=O)N 240690a_100020603310_100000210414 [0,1,1,0,0,0|1,0,0]=3 647 B11R0.116 CCC(=O)N(CC)C(C)C(=O)N 527a_100020603310_100000210414 [0,1,1,0,0,0|1,0,0]=3 648 B11R0.116 CCC(C(=O)OC)N(C)C(=O)C 11a_100000709176_100015343762 [0,1,1,0,0,0|0,0,0]=2 649 B11R0.116 CCC(C(=O)OC)N(C)C(=O)C 1626a_100000709176_100015343762 [0,1,1,0,0,0|0,0,0]=2 650 B11R0.116 CCC(C(=O)OC)N(C)C(=O)C 240690a_100000709176_100015343762 [0,1,1,0,0,0|0,0,0]=2 651 B11R0.116 CCC(C(=O)OC)N(C)C(=O)C 527a_100000709176_100103153847 [0,1,1,0,0,0|0,0,0]=2 652 B11R0.116 CCC(C(=O)OC)N(C)C(C)C 2230a_100000709176_100000210206 [0,1,1,0,0,0|1,0,1]=4 653 B11R0.116 CCC(C(=O)OC)N(C)C(C)C 269982a_100000709176_100000210206 [0,1,1,0,0,0|1,0,1]=4 654 B11R0.116 CCC(C(=O)OC)N(C)C(C)C 269982a_200000211004_100000235869 [0,1,1,0,0,0|1,0,1]=4 655 B11R0.116 CCN(C(=O)CO)C(C)C(=O)N 240690a_100020603310_100000210174 [0,1,1,0,0,0|1,0,0]=3 656 B11R0.116 CCN(C(=O)CO)C(C)C(=O)N 527a_100020603310_100000210174 [0,1,1,0,0,0|1,0,0]=3 657 B11R0.116 CCN(C(=O)NC)C(C)C(=O)N 273464a_100102657272_100020603310 [0,1,1,0,0,0|1,0,0]=3 658 B11R0.116 CC[C@H](C(=O)OC)N(C)C(C)C 269982a_200009935264_200000210301 [0,1,1,0,0,0|1,0,1]=4 659 B11R0.116 CC[C@H](C(=O)OC)N([13CH3])C(C)C 269982a_200009935264_200025704644 [0,1,1,0,0,0|1,0,1]=4 660 B11R0.278 C=CC(=O)N(C)[C@@H](CC)C(=O)N 1626a_103436537554_100000185746 [0,1,1,0,0,0|1,0,1]=4 661 B11R0.278 C=CC(=O)N(C)[C@@H](CC)C(=O)N 240690a_103436537554_200121576911 [0,1,1,0,0,0|1,0,1]=4 662 B11R0.278 CCC(=O)N(C)[C@@H](CC)C(=O)N 11a_103436537554_100000210414 [0,1,1,0,0,0|1,0,0]=3 663 B11R0.278 CCC(=O)N(C)[C@@H](CC)C(=O)N 1626a_103436537554_100000210414 [0,1,1,0,0,0|1,0,0]=3 664 B11R0.278 CCC(=O)N(C)[C@@H](CC)C(=O)N 240690a_103436537554_100000210414 [0,1,1,0,0,0|1,0,0]=3 665 B11R0.278 CCC(=O)N(C)[C@@H](CC)C(=O)N 527a_103436537554_100000210414 [0,1,1,0,0,0|1,0,0]=3 666 B11R0.278 CCN(C(C)C)C(C)C(=O)OC 2230a_100000223864_100000211248 [0,1,1,0,0,0|1,0,1]=4 667 B11R0.278 CCN(C(C)C)C(C)C(=O)OC 269982a_100000223864_100000211248 [0,1,1,0,0,0|1,0,1]=4 668 B11R0.278 CC[C@@H](C(=O)N)N(C)C(=O)CO 240690a_103436537554_100000210174 [0,1,1,0,0,0|1,0,0]=3 669 B11R0.278 CC[C@@H](C(=O)N)N(C)C(=O)CO 527a_103436537554_100000210174 [0,1,1,0,0,0|1,0,0]=3 670 B11R0.278 CC[C@@H](C(=O)N)N(C)C(=O)NC 273464a_100102657272_103436537554 [0,1,1,0,0,0|1,0,0]=3 671 B11R0.283 CC[C@@H](C(=O)N)N(C)S(=O)(=O)C 40a_103436537554_100000738038 [0,1,1,0,0,0|2,0,0]=4 672 B11R0.317 CC(C)[C@@H](C(=O)O)N(C)C(C)C 269956a_100015941355_100000210206 [0,1,1,0,0,0|1,0,1]=4 673 B11R0.393 CCN(C(C)C(=O)N)S(=O)(=O)C 40a_100020603310_100000738038 [0,1,1,0,0,0|2,0,0]=4 674 B11R0.6 CC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011215641 [0,1,1,0,0,0|2,0,0]=4 675 B11R0.6 CC(=O)NC(=O)CNCC(=O)O 269956a_100016091260_100000183797 [0,1,1,0,0,0|1,0,1]=4 676 B11R0.6 CC(=O)NCCC(=O)CC(=O)N 1458a_100000183196_100000187820 [0,1,1,0,0,0|1,0,1]=4 677 B11R0.6 CC(=O)NCCC(=O)CC(=O)N 1458a_100134613110_100000189650 [0,1,1,0,0,0|1,0,1]=4 678 B11R0.6 CC(=O)NCCC(=O)CC(=O)[O-] 1458a_100000183196_100020667443 [0,1,1,0,0,0|0,0,2]=4 679 B11R0.6 CC(=O)NCCN(C)CC(=O)N 2230a_100000739694_100000189650 [0,1,1,0,0,0|2,0,0]=4 680 B11R0.6 CC(=O)NCCN(C)CC(=O)O 269956a_100000746989_100000189650 [0,1,1,0,0,0|1,0,0]=3 681 B11R0.6 CC(=O)OCCN(C)CC(=O)O 269956a_100000746989_100009814007 [0,1,1,0,0,0|2,0,0]=4 682 B11R0.6 CN(CCNC(=O)N)CC(=O)O 269956a_100000746989_200000034859 [0,1,1,0,0,0|2,0,0]=4 683 B11R0.29 CC(=O)CCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215641 [0,1,1,0,0,0|2,0,0]=4 684 B11R0.29 CC(=O)CCNCC(C)C(=O)O 269956a_100000749485_100000053229 [0,1,1,0,0,0|2,0,0]=4 685 B11R0.29 CC(=O)CCNCC(F)C(=O)O 269956a_100000084737_100000053229 [0,1,1,0,0,0|2,0,0]=4 686 B11R0.29 CC(=O)NCCNC(C)C(=O)C 2230a_100000209853_100009814033 [0,1,1,0,0,0|2,0,0]=4 687 B11R0.29 CC(=O)NCCNC(C)C(=O)N 2230a_100000209853_100000702099 [0,1,1,0,0,0|2,0,0]=4 688 B11R0.29 CC(=O)NCCNC(F)C(=O)N 2230a_100000209853_100009813875 [0,1,1,0,0,0|2,0,0]=4 689 B11R0.29 CC(=O)NCCN[C@@H](C)C(=O)O 269956a_100000743915_100000189650 [0,1,1,0,0,0|1,0,0]=3 690 B11R0.29 CC(=O)NCCN[C@H](C)C(=O)N 2230a_100000119354_100000189650 [0,1,1,0,0,0|2,0,0]=4 691 B11R0.29 CC(=O)NCCOC(C)C(=O)N 34a_100000158858_100000702099 [0,1,1,0,0,0|2,0,0]=4 692 B11R0.29 CC(=O)NCCOC(F)C(=O)N 34a_100000158858_100009813875 [0,1,1,0,0,0|2,0,0]=4 693 B11R0.29 CC(=O)NCCOC(F)C(=O)[O-] 34a_100000158858_100020610796 [0,1,1,0,0,0|1,0,1]=4 694 B11R0.29 CC(=O)NCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000189650 [0,1,1,0,0,0|1,0,1]=4 695 B11R0.29 CC(=O)NCCO[C@H](C)C(=O)N 7a_100000731257_100000189650 [0,1,1,0,0,0|2,0,0]=4 696 B11R0.29 CC(=O)NCCSC(C)C(=O)C 62a_100000189650_100009814033 [0,1,1,0,0,0|2,0,0]=4 697 B11R0.29 CC(=O)NCCSC(C)C(=O)C 62a_100009814033_100000189650 [0,1,1,0,0,0|2,0,0]=4 698 B11R0.29 CC(=O)NCCSC(C)C(=O)N 62a_100000189650_100000702099 [0,1,1,0,0,0|2,0,0]=4 699 B11R0.29 CC(=O)NCCSC(C)C(=O)N 62a_100000702099_100000189650 [0,1,1,0,0,0|2,0,0]=4 700 B11R0.29 CC(=O)NCCSC(F)C(=O)N 62a_100000189650_100009813875 [0,1,1,0,0,0|2,0,0]=4 701 B11R0.29 CC(=O)NCCSC(F)C(=O)N 62a_100009813875_100000189650 [0,1,1,0,0,0|2,0,0]=4 702 B11R0.29 CC(=O)NCCSC(F)C(=O)[O-] 62a_100000189650_100020610796 [0,1,1,0,0,0|1,0,1]=4 703 B11R0.29 CC(=O)NCCSC(F)C(=O)[O-] 62a_100020610796_100000189650 [0,1,1,0,0,0|1,0,1]=4 704 B11R0.29 CC(=O)OCCN[C@@H](C)C(=O)O 269956a_100000743915_100009814007 [0,1,1,0,0,0|2,0,0]=4 705 B11R0.29 CC(=O)OCNCC(C)C(=O)O 269956a_100000749485_100000076356 [0,1,1,0,0,0|2,0,0]=4 706 B11R0.29 CC(=O)OCNCC(F)C(=O)O 269956a_100000084737_100000076356 [0,1,1,0,0,0|2,0,0]=4 707 B11R0.29 C[C@H](NCCNC(=O)N)C(=O)O 269956a_100000743915_200000034859 [0,1,1,0,0,0|2,0,0]=4 708 B11R0.31 CS(=O)(=O)NCCCCC(=O)N 40a_100000696515_100000738038 [0,1,1,0,0,0|2,0,0]=4 709 B11R0.31 CS(=O)(=O)NCCNCC(=O)O 269956a_100016091260_100000754112 [0,1,1,0,0,0|2,0,0]=4 710 B11R0.111 C#CC(=O)CCCCOC(=O)C 1458a_100000211873_100000033659 [0,1,1,0,0,0|2,0,0]=4 711 B11R0.111 C#CC(=O)CCCCSC(=O)C 1458a_100000211873_200010402107 [0,1,1,0,0,0|2,0,0]=4 712 B11R0.111 C=CC(=O)CCCCOC(=O)C 1458a_100000185746_100000033659 [0,1,1,0,0,0|2,0,0]=4 713 B11R0.111 C=CC(=O)CCCCSC(=O)C 1458a_100000185746_200010402107 [0,1,1,0,0,0|2,0,0]=4 714 B11R0.111 C=CC(=O)NCCCCC(=O)N 1626a_100000696515_100000185746 [0,1,1,0,0,0|1,0,1]=4 715 B11R0.111 C=CC(=O)NCCCCC(=O)N 240690a_100000696515_200121576911 [0,1,1,0,0,0|1,0,1]=4 716 B11R0.111 C=CC(=O)NCCCNC(=O)C 240690a_100000736810_200121576911 [0,1,1,0,0,0|2,0,0]=4 717 B11R0.111 CC(=O)NCCCNC(=O)CO 240690a_100000736810_100000210174 [0,1,1,0,0,0|1,0,0]=3 718 B11R0.111 CC(=O)NCCCNC(=O)CO 527a_100000736810_100000210174 [0,1,1,0,0,0|1,0,0]=3 719 B11R0.111 CC(=O)OCCCCC(=O)CO 1458a_100000210174_100000033659 [0,1,1,0,0,0|1,0,0]=3 720 B11R0.111 CC(=O)SCCCCC(=O)CO 1458a_100000210174_200010402107 [0,1,1,0,0,0|1,0,0]=3 721 B11R0.111 CCC(=O)CCCCCC(=O)N 1458a_100000210414_100009817443 [0,1,1,0,0,0|2,0,0]=4 722 B11R0.111 CCC(=O)CCCCOC(=O)C 1458a_100000210414_100000033659 [0,1,1,0,0,0|2,0,0]=4 723 B11R0.111 CCC(=O)CCCCSC(=O)C 1458a_100000210414_200010402107 [0,1,1,0,0,0|2,0,0]=4 724 B11R0.111 CCC(=O)CSCCNC(=O)C 62a_100000189650_100000747405 [0,1,1,0,0,0|2,0,0]=4 725 B11R0.111 CCC(=O)CSCCNC(=O)C 62a_100000747405_100000189650 [0,1,1,0,0,0|2,0,0]=4 726 B11R0.111 CCC(=O)NCCCCC(=O)N 11a_100000696515_100000210414 [0,1,1,0,0,0|1,0,0]=3 727 B11R0.111 CCC(=O)NCCCCC(=O)N 1626a_100000696515_100000210414 [0,1,1,0,0,0|1,0,0]=3 728 B11R0.111 CCC(=O)NCCCCC(=O)N 240690a_100000696515_100000210414 [0,1,1,0,0,0|1,0,0]=3 729 B11R0.111 CCC(=O)NCCCCC(=O)N 527a_100000696515_100000210414 [0,1,1,0,0,0|1,0,0]=3 730 B11R0.111 CCC(=O)NCCCNC(=O)C 11a_100000736810_100000210414 [0,1,1,0,0,0|2,0,0]=4 731 B11R0.111 CCC(=O)NCCCNC(=O)C 240690a_100000736810_100000210414 [0,1,1,0,0,0|2,0,0]=4 732 B11R0.111 CCC(=O)NCCCNC(=O)C 527a_100000736810_100000210414 [0,1,1,0,0,0|2,0,0]=4 733 B11R0.111 CCC(=O)NCCNCC(=O)N 34a_100132302217_100000187820 [0,1,1,0,0,0|2,0,0]=4 734 B11R0.111 CCC(=O)NCCNCC(=O)[O-] 34a_100132302217_100020667443 [0,1,1,0,0,0|1,0,1]=4 735 B11R0.111 CCC(=O)NCCOCC(=O)N 34a_200000158885_100000187820 [0,1,1,0,0,0|2,0,0]=4 736 B11R0.111 CCC(=O)NCCOCC(=O)N 7a_200000158885_100000187820 [0,1,1,0,0,0|2,0,0]=4 737 B11R0.111 CCC(=O)NCCOCC(=O)[O-] 34a_200000158885_100020667443 [0,1,1,0,0,0|1,0,1]=4 738 B11R0.111 CNC(=O)CCCNCC(=O)O 269956a_100016091260_100000741757 [0,1,1,0,0,0|2,0,0]=4 739 B11R0.111 CNC(=O)CNCCNC(=O)C 2230a_100000209853_100000183359 [0,1,1,0,0,0|2,0,0]=4 740 B11R0.111 CNC(=O)CNCCNC(=O)C 2230a_100000693194_100000189650 [0,1,1,0,0,0|2,0,0]=4 741 B11R0.111 CNC(=O)COCCNC(=O)C 34a_100000158858_100000183359 [0,1,1,0,0,0|2,0,0]=4 742 B11R0.111 CNC(=O)CSCCNC(=O)C 62a_100000183359_100000189650 [0,1,1,0,0,0|2,0,0]=4 743 B11R0.111 CNC(=O)CSCCNC(=O)C 62a_100000189650_100000183359 [0,1,1,0,0,0|2,0,0]=4 744 B11R0.111 CNC(=O)NCCCCC(=O)N 273464a_100000696515_100102657272 [0,1,1,0,0,0|1,0,0]=3 745 B11R0.111 CNC(=O)NCCCCC(=O)N 273464a_100102657272_100000696515 [0,1,1,0,0,0|1,0,0]=3 746 B11R0.111 CNC(=O)NCCCCC(=O)N 512a_100000696515_100102657272 [0,1,1,0,0,0|1,0,0]=3 747 B11R0.111 CNC(=O)NCCCCC(=O)N 512a_106832991638_100000696515 [0,1,1,0,0,0|1,0,0]=3 748 B11R0.111 CNC(=O)NCCCNC(=O)C 2708a_100000736810_106832991635 [0,1,1,0,0,0|2,0,0]=4 749 B11R0.111 CNC(=O)NCCCNC(=O)C 2708a_100102657272_100000736810 [0,1,1,0,0,0|2,0,0]=4 750 B11R0.111 CNC(=O)NCCCNC(=O)C 273464a_100000736810_100102657272 [0,1,1,0,0,0|2,0,0]=4 751 B11R0.111 CNC(=O)NCCCNC(=O)C 273464a_100102657272_100000736810 [0,1,1,0,0,0|2,0,0]=4 752 B11R0.111 CNC(=O)NCCCNC(=O)C 512a_100000736810_100102657272 [0,1,1,0,0,0|2,0,0]=4 753 B11R0.111 CNC(=O)NCCCNC(=O)C 512a_106832991638_100000736810 [0,1,1,0,0,0|2,0,0]=4 754 B11R0.111 CNC(=O)NCCNCC(=O)N 34a_100015205895_100000187820 [0,1,1,0,0,0|2,0,0]=4 755 B11R0.111 CNC(=O)NCCNCC(=O)[O-] 34a_100015205895_100020667443 [0,1,1,0,0,0|1,0,1]=4 756 B11R0.111 COC(=O)CCC=NNC(=O)C 4a_100000189765_100012047195 [0,1,1,0,0,0|1,0,1]=4 757 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [0,1,1,0,0,0|1,0,0]=3 758 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [0,1,1,0,0,0|1,0,0]=3 759 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [0,1,1,0,0,0|1,0,0]=3 760 B11R0.111 COC(=O)CCCCNC(=O)C 188690a_100000746077_100015343762 [0,1,1,0,0,0|0,0,0]=2 761 B11R0.111 COC(=O)CCCCNC(C)C 2230a_100138425928_100000204269 [0,1,1,0,0,0|1,0,1]=4 762 B11R0.111 COC(=O)CCCCNC(C)C 34a_100138425928_100000204269 [0,1,1,0,0,0|1,0,1]=4 763 B11R0.111 COC(=O)CCCNCC(=O)O 269956a_100016091260_100011218270 [0,1,1,0,0,0|2,0,0]=4 764 B11R0.111 COC(=O)CCCOCC(=O)C 34a_100000211253_100000742333 [0,1,1,0,0,0|2,0,0]=4 765 B11R0.111 COC(=O)CCOCCC(=O)C 34a_100000759926_100000742370 [0,1,1,0,0,0|2,0,0]=4 766 B11R0.111 COC(=O)CCOCCC(=O)C 7a_100000759926_100000204255 [0,1,1,0,0,0|2,0,0]=4 767 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000053229_100000204255 [0,1,1,0,0,0|2,0,0]=4 768 B11R0.111 COC(=O)CCSCCC(=O)C 62a_100000204255_100000053229 [0,1,1,0,0,0|2,0,0]=4 769 B11R0.111 COC(=O)CCSCOC(=O)C 62a_100000076356_100000204255 [0,1,1,0,0,0|2,0,0]=4 770 B11R0.111 COC(=O)CCSCOC(=O)C 62a_100000204255_100000076356 [0,1,1,0,0,0|2,0,0]=4 771 B11R0.111 COC(=O)CNCCNC(=O)C 2230a_100000209853_100000747449 [0,1,1,0,0,0|1,0,0]=3 772 B11R0.111 COC(=O)CNCCNC(=O)N 34a_100020590234_100000747449 [0,1,1,0,0,0|2,0,0]=4 773 B11R0.111 COC(=O)COCCCC(=O)C 34a_100000759063_100000747449 [0,1,1,0,0,0|2,0,0]=4 774 B11R0.111 COC(=O)COCCCC(=O)C 7a_100000759063_100000747449 [0,1,1,0,0,0|2,0,0]=4 775 B11R0.111 COC(=O)COCCNC(=O)C 34a_100000158858_100000747449 [0,1,1,0,0,0|1,0,0]=3 776 B11R0.111 COC(=O)COCCNC(=O)N 34a_100000181757_100000747449 [0,1,1,0,0,0|2,0,0]=4 777 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100000747449_100011215641 [0,1,1,0,0,0|2,0,0]=4 778 B11R0.111 COC(=O)CSCCCC(=O)C 62a_100011215641_100000747449 [0,1,1,0,0,0|2,0,0]=4 779 B11R0.111 COC(=O)CSCCNC(=O)C 62a_100000189650_100000747449 [0,1,1,0,0,0|1,0,0]=3 780 B11R0.111 COC(=O)CSCCNC(=O)C 62a_100000747449_100000189650 [0,1,1,0,0,0|1,0,0]=3 781 B11R0.111 COC(=O)CSCCNC(=O)N 62a_100000747449_200000034859 [0,1,1,0,0,0|2,0,0]=4 782 B11R0.111 COC(=O)CSCCNC(=O)N 62a_200000034859_100000747449 [0,1,1,0,0,0|2,0,0]=4 783 B11R0.111 COC(=O)CSCCOC(=O)C 62a_100000747449_100009814007 [0,1,1,0,0,0|2,0,0]=4 784 B11R0.111 COC(=O)CSCCOC(=O)C 62a_100009814007_100000747449 [0,1,1,0,0,0|2,0,0]=4 785 B11R0.111 COC(=O)NCCOCC(=O)N 34a_100000757965_100000187820 [0,1,1,0,0,0|2,0,0]=4 786 B11R0.111 COC(=O)NCCOCC(=O)[O-] 34a_100000757965_100020667443 [0,1,1,0,0,0|1,0,1]=4 787 B11R0.111 NC(=O)CCCCCC(=O)CO 1458a_100000210174_100009817443 [0,1,1,0,0,0|2,0,0]=4 788 B11R0.111 NC(=O)CCCCNC(=O)CO 240690a_100000696515_100000210174 [0,1,1,0,0,0|1,0,0]=3 789 B11R0.111 NC(=O)CCCCNC(=O)CO 527a_100000696515_100000210174 [0,1,1,0,0,0|1,0,0]=3 790 B11R1.49 CC(=O)N1C[C@@H](C[C@H]1CO)O 240690a_100000707816_100015343762 [1,1,0,0,0,0|0,0,1]=3 791 B11R1.49 CC(=O)N1C[C@@H](C[C@H]1CO)O 527a_100000707816_100103153847 [1,1,0,0,0,0|0,0,1]=3 792 B11R1.49 CC(=O)N1C[C@H](C[C@H]1C#N)F 11a_100020587076_100015343762 [1,1,0,0,0,0|1,0,1]=4 793 B11R1.49 CC(=O)N1C[C@H](C[C@H]1C#N)F 1626a_100020587076_100015343762 [1,1,0,0,0,0|1,0,1]=4 794 B11R1.49 CC(=O)N1C[C@H](C[C@H]1C#N)F 240690a_100020587076_100015343762 [1,1,0,0,0,0|1,0,1]=4 795 B11R1.49 CC(=O)N1C[C@H](C[C@H]1C#N)F 527a_100020587076_100103153847 [1,1,0,0,0,0|1,0,1]=4 796 B11R1.49 CC(=O)N1C[C@H](C[C@H]1CO)F 240690a_100015204000_100015343762 [1,1,0,0,0,0|0,0,1]=3 797 B11R1.49 CC(=O)N1C[C@H](C[C@H]1CO)F 527a_100015204000_100103153847 [1,1,0,0,0,0|0,0,1]=3 798 B11R1.49 CCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210202 [1,1,0,0,0,0|1,0,1]=4 799 B11R1.49 CCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000204670 [1,1,0,0,0,0|1,0,1]=4 800 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000210202 [1,1,0,0,0,0|1,0,1]=4 801 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000204670 [1,1,0,0,0,0|1,0,1]=4 802 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000210202 [1,1,0,0,0,0|1,0,1]=4 803 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210202 [1,1,0,0,0,0|0,0,1]=3 804 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210202 [1,1,0,0,0,0|0,0,1]=3 805 B11R1.49 O=C(O)[C@@H]1C[C@@H](CN1CF)F 269956a_100016993324_100015361967 [1,1,0,0,0,0|1,0,1]=4 806 B11R1.49 O=C(O)[C@@H]1C[C@@H](CN1CF)O 269956a_100000750407_100015361967 [1,1,0,0,0,0|1,0,1]=4 807 B11R1.58 CS(=O)(=O)N1CCC[C@@H]1CO 40a_100000745186_100000738038 [1,1,0,0,0,0|1,0,1]=4 808 B11R1.59 C=CC(=O)N1CCC[C@@H]1CO 240690a_100000745186_200121576911 [1,1,0,0,0,0|0,0,2]=4 809 B11R1.59 CCC(=O)C1CCCN1CC 1458a_106256033941_100000210202 [1,1,0,0,0,0|1,0,1]=4 810 B11R1.59 CCC(=O)N1CCCC1C#N 11a_100000701862_100000210414 [1,1,0,0,0,0|1,0,1]=4 811 B11R1.59 CCC(=O)N1CCCC1C#N 1626a_100000701862_100000210414 [1,1,0,0,0,0|1,0,1]=4 812 B11R1.59 CCC(=O)N1CCCC1C#N 240690a_100000701862_100000210414 [1,1,0,0,0,0|1,0,1]=4 813 B11R1.59 CCC(=O)N1CCCC1C#N 527a_100000701862_100000210414 [1,1,0,0,0,0|1,0,1]=4 814 B11R1.59 CCC(=O)N1CCCC1CC 11a_100000754278_100000210414 [1,1,0,0,0,0|1,0,1]=4 815 B11R1.59 CCC(=O)N1CCCC1CC 1626a_100000754278_100000210414 [1,1,0,0,0,0|1,0,1]=4 816 B11R1.59 CCC(=O)N1CCCC1CC 240690a_100000754278_100000210414 [1,1,0,0,0,0|1,0,1]=4 817 B11R1.59 CCC(=O)N1CCCC1CC 527a_100000754278_100000210414 [1,1,0,0,0,0|1,0,1]=4 818 B11R1.59 CCC(=O)N1CCC[C@@H]1C#N 240690a_106645074975_100000210414 [1,1,0,0,0,0|1,0,1]=4 819 B11R1.59 CCC(=O)N1CCC[C@@H]1C#N 527a_106645074975_100000210414 [1,1,0,0,0,0|1,0,1]=4 820 B11R1.59 CCC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100000210414 [1,1,0,0,0,0|0,0,1]=3 821 B11R1.59 CCC(=O)N1CCC[C@@H]1CO 527a_100000745186_100000210414 [1,1,0,0,0,0|0,0,1]=3 822 B11R1.59 CCC1CCCN1C(=O)CO 240690a_100000754278_100000210174 [1,1,0,0,0,0|1,0,1]=4 823 B11R1.59 CCC1CCCN1C(=O)CO 527a_100000754278_100000210174 [1,1,0,0,0,0|1,0,1]=4 824 B11R1.59 CCC1CCCN1C(=O)NC 2708a_100102657272_100000754278 [1,1,0,0,0,0|1,0,1]=4 825 B11R1.59 CCC1CCCN1C(=O)NC 273464a_100102657272_100000754278 [1,1,0,0,0,0|1,0,1]=4 826 B11R1.59 CCN1CCCC1C(=O)CF 1458a_106256033941_100015361967 [1,1,0,0,0,0|1,0,1]=4 827 B11R1.59 CCN1CCCC1C(=O)NC 240690a_100102657272_106256033941 [1,1,0,0,0,0|1,0,1]=4 828 B11R1.59 CCN1CCCC1C(=O)NC 527a_100102657272_106256033941 [1,1,0,0,0,0|1,0,1]=4 829 B11R1.59 CCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210202 [1,1,0,0,0,0|1,0,1]=4 830 B11R1.59 CCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000204670 [1,1,0,0,0,0|1,0,1]=4 831 B11R1.59 CCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210202 [1,1,0,0,0,0|1,0,1]=4 832 B11R1.59 CCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210202 [1,1,0,0,0,0|0,0,1]=3 833 B11R1.59 CCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000204670 [1,1,0,0,0,0|0,0,1]=3 834 B11R1.59 CCN1CCSC1C(=O)OC 2230a_100015296106_100000210202 [1,1,0,0,0,0|1,0,1]=4 835 B11R1.59 CCN1CCSC1C(=O)OC 269982a_100015296106_100000204670 [1,1,0,0,0,0|1,0,1]=4 836 B11R1.59 CCN1CSCC1C(=O)OC 269982a_200000724679_100000204670 [1,1,0,0,0,0|1,0,1]=4 837 B11R1.59 CNC(=O)N1CCCC1C#N 2708a_100102657272_100000701862 [1,1,0,0,0,0|1,0,1]=4 838 B11R1.59 CNC(=O)N1CCCC1C#N 273464a_100102657272_100000701862 [1,1,0,0,0,0|1,0,1]=4 839 B11R1.59 CNC(=O)N1CCC[C@@H]1C#N 2708a_100102657272_106645074975 [1,1,0,0,0,0|1,0,1]=4 840 B11R1.59 CNC(=O)N1CCC[C@@H]1C#N 273464a_100102657272_106645074975 [1,1,0,0,0,0|1,0,1]=4 841 B11R1.59 CNC(=O)N1CCC[C@@H]1CO 2708a_100102657272_100000745186 [1,1,0,0,0,0|0,0,1]=3 842 B11R1.59 CNC(=O)N1CCC[C@@H]1CO 273464a_100102657272_100000745186 [1,1,0,0,0,0|0,0,1]=3 843 B11R1.59 COC(=O)C1CCCC1OC 34a_200000081814_200000210301 [1,1,0,0,0,0|2,0,0]=4 844 B11R1.59 COC(=O)C1CCCC1OC 7a_200000081814_200000210301 [1,1,0,0,0,0|2,0,0]=4 845 B11R1.59 COC(=O)C1CCCC1O[13CH3] 34a_200000081814_200025704644 [1,1,0,0,0,0|2,0,0]=4 846 B11R1.59 COC(=O)C1CCCC1O[13CH3] 7a_200000081814_200025704644 [1,1,0,0,0,0|2,0,0]=4 847 B11R1.59 COC(=O)[C@@H]1CCCN1CF 269982a_100000752040_100015361967 [1,1,0,0,0,0|1,0,1]=4 848 B11R1.59 N#CC1CCCN1C(=O)CO 240690a_100000701862_100000210174 [1,1,0,0,0,0|1,0,1]=4 849 B11R1.59 N#CC1CCCN1C(=O)CO 527a_100000701862_100000210174 [1,1,0,0,0,0|1,0,1]=4 850 B11R1.59 N#C[C@H]1CCCN1C(=O)CO 240690a_106645074975_100000210174 [1,1,0,0,0,0|1,0,1]=4 851 B11R1.59 N#C[C@H]1CCCN1C(=O)CO 527a_106645074975_100000210174 [1,1,0,0,0,0|1,0,1]=4 852 B11R1.59 O=C(CO)N1CCC[C@@H]1CO 240690a_100000745186_100000210174 [1,1,0,0,0,0|0,0,1]=3 853 B11R1.59 O=C(CO)N1CCC[C@@H]1CO 527a_100000745186_100000210174 [1,1,0,0,0,0|0,0,1]=3 854 B11R1.193 C#CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000184674 [1,1,0,0,0,0|0,0,2]=4 855 B11R1.193 C=CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210623 [1,1,0,0,0,0|1,0,1]=4 856 B11R1.193 C=CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210623 [1,1,0,0,0,0|0,0,1]=3 857 B11R1.193 C=CCN1CCSC1C(=O)O 269956a_100000035718_100000210623 [1,1,0,0,0,0|1,0,1]=4 858 B11R1.193 C=CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210623 [1,1,0,0,0,0|1,0,1]=4 859 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 34a_100012242843_200025704644 [1,1,0,0,0,0|0,0,1]=3 860 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 7a_100012242843_200025704644 [1,1,0,0,0,0|0,0,1]=3 861 B11R1.193 CCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210303 [1,1,0,0,0,0|1,0,1]=4 862 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [1,1,0,0,0,0|0,0,1]=3 863 B11R1.193 CCCN1CCSC1C(=O)O 269956a_100000035718_100000210207 [1,1,0,0,0,0|1,0,1]=4 864 B11R1.193 CCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210207 [1,1,0,0,0,0|1,0,1]=4 865 B11R1.193 COCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000766300 [1,1,0,0,0,0|1,0,1]=4 866 B11R1.193 COCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000766300 [1,1,0,0,0,0|0,0,1]=3 867 B11R1.193 COCN1CCSC1C(=O)O 269956a_100000035718_100000766300 [1,1,0,0,0,0|1,0,1]=4 868 B11R1.193 COCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000766300 [1,1,0,0,0,0|1,0,1]=4 869 B11R1.193 COC[C@@H]1CCCN1C(=O)C 11a_100020646714_100015343762 [1,1,0,0,0,0|0,0,1]=3 870 B11R1.193 COC[C@@H]1CCCN1C(=O)C 1626a_100020646714_100015343762 [1,1,0,0,0,0|0,0,1]=3 871 B11R1.193 COC[C@@H]1CCCN1C(=O)C 240690a_100020646714_100015343762 [1,1,0,0,0,0|0,0,1]=3 872 B11R1.193 COC[C@@H]1CCCN1C(=O)N 34a_100012022907_200000210301 [1,1,0,0,0,0|1,0,1]=4 873 B11R1.193 COC[C@@H]1CCCN1C(=O)N 7a_100012022907_200000210301 [1,1,0,0,0,0|1,0,1]=4 874 B11R1.193 COC[C@H]1CCCN1C(=O)C 34a_100012242843_200000210301 [1,1,0,0,0,0|0,0,1]=3 875 B11R1.193 COC[C@H]1CCCN1C(=O)C 7a_100012242843_200000210301 [1,1,0,0,0,0|0,0,1]=3 876 B11R1.193 CSCN1CCC[C@H]1C(=O)N 2230a_100000003125_100011218213 [1,1,0,0,0,0|1,0,1]=4 877 B11R1.193 CSCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218213 [1,1,0,0,0,0|0,0,1]=3 878 B11R1.193 CSCN1CCSC1C(=O)O 269956a_100000035718_100011218213 [1,1,0,0,0,0|1,0,1]=4 879 B11R1.193 CSCN1CSC[C@H]1C(=O)O 269956a_100000743924_100011218213 [1,1,0,0,0,0|1,0,1]=4 880 B11R1.193 N#CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011215382 [1,1,0,0,0,0|0,0,2]=4 881 B11R1.193 NC(=O)[C@@H]1CCCN1CC=O 2230a_100000003125_200015260668 [1,1,0,0,0,0|1,0,0]=3 882 B11R1.193 NC(=O)[C@@H]1CCCN1CCF 2230a_100000003125_100011217306 [1,1,0,0,0,0|1,0,1]=4 883 B11R1.193 NC(=O)[C@@H]1CCCN1CCO 2230a_100000003125_100000211926 [1,1,0,0,0,0|1,0,1]=4 884 B11R1.193 O=C(O)C1SCCN1CCF 269956a_100000035718_100011217306 [1,1,0,0,0,0|1,0,1]=4 885 B11R1.193 O=C(O)C1SCCN1CCO 269956a_100000035718_100000211926 [1,1,0,0,0,0|1,0,1]=4 886 B11R1.193 O=C(O)[C@@H]1CCCN1CCF 269956a_100000743916_100011217306 [1,1,0,0,0,0|0,0,1]=3 887 B11R1.193 O=C(O)[C@@H]1CCCN1CCO 269956a_100000743916_100000211926 [1,1,0,0,0,0|0,0,1]=3 888 B11R1.193 O=C(O)[C@@H]1CSCN1CCF 269956a_100000743924_100011217306 [1,1,0,0,0,0|1,0,1]=4 889 B11R1.193 O=C(O)[C@@H]1CSCN1CCO 269956a_100000743924_100000211926 [1,1,0,0,0,0|1,0,1]=4 890 B11R1.193 O=CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_200015260668 [1,1,0,0,0,0|0,0,2]=4 891 B11R1.193 O=CCN1CCC[C@H]1C(=O)O 269956a_100000743916_200015260668 [1,1,0,0,0,0|0,0,0]=2 892 B11R1.193 O=CCN1CCSC1C(=O)O 269956a_100000035718_200015260668 [1,1,0,0,0,0|1,0,0]=3 893 B11R1.193 O=CCN1CSC[C@H]1C(=O)O 269956a_100000743924_200015260668 [1,1,0,0,0,0|1,0,0]=3 894 B11R1.193 [13CH3]OC[C@@H]1CCCN1C(=O)N 34a_100012022907_200025704644 [1,1,0,0,0,0|1,0,1]=4 895 B11R1.193 [13CH3]OC[C@@H]1CCCN1C(=O)N 7a_100012022907_200025704644 [1,1,0,0,0,0|1,0,1]=4 896 B11R1.395 CC(=O)N1CCC[C@@]1(C)CO 240690a_100016195882_100015343762 [1,1,0,0,0,0|0,0,1]=3 897 B11R1.421 CCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210202 [1,1,0,0,0,0|0,0,1]=3 898 B11R1.421 C[C@]1(CCCN1CF)C(=O)O 269956a_100009816582_100015361967 [1,1,0,0,0,0|1,0,1]=4 899 B11R1.731 CC(C)(C)N1CCC1C(=O)O 269956a_100000021838_100000211941 [0,1,0,0,1,0|1,0,1]=4 900 B11R1.870 C#CC(C)N1CCC1C(=O)O 269956a_100000021838_200000035995 [0,1,0,0,1,0|1,0,1]=4 901 B11R1.870 C=CC(C)N1CCC1C(=O)O 269956a_100000021838_100011215867 [0,1,0,0,1,0|1,0,1]=4 902 B11R1.870 CC(=O)N1CC[C@H]1C(=O)CF 1458a_200015362969_100015361967 [0,1,0,0,1,0|1,0,0]=3 903 B11R1.870 CC(C#N)N1CCC1C(=O)O 269956a_100000021838_100000184139 [0,1,0,0,1,0|1,0,1]=4 904 B11R1.870 CCC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_100000210202 [0,1,0,0,1,0|1,0,0]=3 905 B11R1.870 CCC(C)N1CCC1C(=O)O 269956a_100000021838_100000758301 [0,1,0,0,1,0|1,0,1]=4 906 B11R1.870 CNC(=O)[C@@H]1CCN1C(=O)C 11a_106832991635_200015362969 [0,1,0,0,1,0|1,0,0]=3 907 B11R1.870 CNC(=O)[C@@H]1CCN1C(=O)C 1626a_100102657272_200015362969 [0,1,0,0,1,0|1,0,0]=3 908 B11R1.870 CNC(=O)[C@@H]1CCN1C(=O)C 240690a_100102657272_200015362969 [0,1,0,0,1,0|1,0,0]=3 909 B11R1.870 CNC(=O)[C@@H]1CCN1C(=O)C 527a_100102657272_200015362969 [0,1,0,0,1,0|1,0,0]=3 910 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 11a_102516456887_100015343762 [0,1,0,0,1,0|0,0,0]=2 911 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 1626a_102516456887_100015343762 [0,1,0,0,1,0|0,0,0]=2 912 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 240690a_102516456887_100015343762 [0,1,0,0,1,0|0,0,0]=2 913 B11R1.870 COC(=O)[C@@H]1CCN1C(=O)C 527a_102516456887_100103153847 [0,1,0,0,1,0|0,0,0]=2 914 B11R1.870 COC(=O)[C@@H]1CCN1C(C)C 2230a_102516456887_100000210206 [0,1,0,0,1,0|1,0,1]=4 915 B11R1.870 COC(=O)[C@@H]1CCN1C(C)C 269982a_102516456887_100000210206 [0,1,0,0,1,0|1,0,1]=4 916 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)C 1458a_100009908320_200000210301 [0,1,0,0,1,0|1,0,0]=3 917 B11R1.870 COC(=O)[C@@H]1CC[C@@H]1C(=O)[13CH3] 1458a_100009908320_200025704644 [0,1,0,0,1,0|1,0,0]=3 918 B11R1.870 COC(C)N1CCC1C(=O)O 269956a_100000021838_100009879195 [0,1,0,0,1,0|0,0,2]=4 919 B11R1.870 C[C@H](CO)N1CCC1C(=O)O 269956a_100000021838_100016084084 [0,1,0,0,1,0|0,0,2]=4 920 B13R1.345 CC(=O)C1CCCN(C1)S(=O)(=O)C 1458a_100000222339_200000210301 [0,1,0,0,0,1|2,0,0]=4 921 B13R1.345 CC(=O)N1CCC[C@H](C1)S(=O)(=O)C 11a_100025715196_100015343762 [0,1,0,0,0,1|1,0,1]=4 922 B13R1.345 CC(=O)N1CCC[C@H](C1)S(=O)(=O)C 1626a_100025715196_100015343762 [0,1,0,0,0,1|1,0,1]=4 923 B13R1.345 CC(=O)N1CCC[C@H](C1)S(=O)(=O)C 240690a_100025715196_100015343762 [0,1,0,0,0,1|1,0,1]=4 924 B13R1.345 CC(=O)N1CCC[C@H](C1)S(=O)(=O)C 527a_100025715196_100103153847 [0,1,0,0,0,1|1,0,1]=4 925 B13R1.345 CS(=O)(=O)N1CCCC(C1)C(=O)N 40a_100000195536_100000738038 [0,1,0,0,0,1|2,0,0]=4 926 B13R1.345 CS(=O)(=O)N1CCCC(C1)C(=O)[13CH3] 1458a_100000222339_200025704644 [0,1,0,0,0,1|2,0,0]=4 927 B13R1.543 C=CC(=O)N1CCCC(C1)C(=O)N 240690a_100000195536_200121576911 [0,1,0,0,0,1|1,0,1]=4 928 B13R1.543 CC(=O)N1CCCC(C1)C(=O)CF 1458a_100000194941_100015361967 [0,1,0,0,0,1|1,0,0]=3 929 B13R1.543 CC(O)C1CCCN(C1)C(=O)CO 240690a_100000740858_100000210174 [0,1,0,0,0,1|1,0,1]=4 930 B13R1.543 CC(O)C1CCCN(C1)C(=O)CO 527a_100000740858_100000210174 [0,1,0,0,0,1|1,0,1]=4 931 B13R1.543 CCC(=O)C1CCCN(C1)C(=O)C 1458a_100000194941_100000210202 [0,1,0,0,0,1|1,0,0]=3 932 B13R1.543 CCC(=O)C1CCCN(C1)C(=O)N 1458a_100000212328_100000210202 [0,1,0,0,0,1|2,0,0]=4 933 B13R1.543 CCC(=O)N1CCCC(C1)C(=O)C 1458a_100000194945_200000210301 [0,1,0,0,0,1|1,0,0]=3 934 B13R1.543 CCC(=O)N1CCCC(C1)C(=O)N 11a_100000195536_100000210414 [0,1,0,0,0,1|1,0,0]=3 935 B13R1.543 CCC(=O)N1CCCC(C1)C(=O)N 240690a_100000195536_100000210414 [0,1,0,0,0,1|1,0,0]=3 936 B13R1.543 CCC(=O)N1CCCC(C1)C(=O)[13CH3] 1458a_100000194945_200025704644 [0,1,0,0,0,1|1,0,0]=3 937 B13R1.543 CCC(=O)N1CCCC(C1)C(C)O 240690a_100000740858_100000210414 [0,1,0,0,0,1|1,0,1]=4 938 B13R1.543 CCC(=O)N1CCCC(C1)C(C)O 527a_100000740858_100000210414 [0,1,0,0,0,1|1,0,1]=4 939 B13R1.543 CCC(=O)N1CCOC(C1)C(=O)N 240690a_100000748043_100000210414 [0,1,0,0,0,1|2,0,0]=4 940 B13R1.543 CCC(=O)N1CCOC(C1)C(=O)N 527a_100000748043_100000210414 [0,1,0,0,0,1|2,0,0]=4 941 B13R1.543 CNC(=O)C1CCCN(C1)C(=O)C 11a_100000754358_100015343762 [0,1,0,0,0,1|1,0,0]=3 942 B13R1.543 CNC(=O)C1CCCN(C1)C(=O)C 11a_106832991635_100000194941 [0,1,0,0,0,1|1,0,0]=3 943 B13R1.543 CNC(=O)C1CCCN(C1)C(=O)C 1626a_100102657272_100000194941 [0,1,0,0,0,1|1,0,0]=3 944 B13R1.543 CNC(=O)C1CCCN(C1)C(=O)C 240690a_100000754358_100015343762 [0,1,0,0,0,1|1,0,0]=3 945 B13R1.543 CNC(=O)C1CCCN(C1)C(=O)C 240690a_100102657272_100000194941 [0,1,0,0,0,1|1,0,0]=3 946 B13R1.543 CNC(=O)C1CCCN(C1)C(=O)C 527a_100000754358_100103153847 [0,1,0,0,0,1|1,0,0]=3 947 B13R1.543 CNC(=O)C1CCCN(C1)C(=O)C 527a_100102657272_100000194941 [0,1,0,0,0,1|1,0,0]=3 948 B13R1.543 CNC(=O)C1CCCN(C1)C(=O)N 11a_106832991635_100000212328 [0,1,0,0,0,1|2,0,0]=4 949 B13R1.543 CNC(=O)C1CCCN(C1)C(=O)N 1626a_100102657272_100000212328 [0,1,0,0,0,1|2,0,0]=4 950 B13R1.543 CNC(=O)C1CCCN(C1)C(=O)N 240690a_100102657272_100000212328 [0,1,0,0,0,1|2,0,0]=4 951 B13R1.543 CNC(=O)N1CCCC(C1)C(=O)N 2708a_100102657272_100000195536 [0,1,0,0,0,1|1,0,0]=3 952 B13R1.543 CNC(=O)N1CCCC(C1)C(=O)N 273464a_100102657272_100000195536 [0,1,0,0,0,1|1,0,0]=3 953 B13R1.543 CNC(=O)N1CCCC(C1)C(C)O 2708a_100102657272_100000740858 [0,1,0,0,0,1|1,0,1]=4 954 B13R1.543 CNC(=O)N1CCCC(C1)C(C)O 273464a_100102657272_100000740858 [0,1,0,0,0,1|1,0,1]=4 955 B13R1.543 CNC(=O)N1CCOC(C1)C(=O)N 2708a_100102657272_100000748043 [0,1,0,0,0,1|2,0,0]=4 956 B13R1.543 CNC(=O)N1CCOC(C1)C(=O)N 273464a_100102657272_100000748043 [0,1,0,0,0,1|2,0,0]=4 957 B13R1.543 COC(=O)C1CCCC(C1)C(=O)C 1458a_100011331962_200000210301 [0,1,0,0,0,1|1,0,0]=3 958 B13R1.543 COC(=O)C1CCCC(C1)C(=O)[13CH3] 1458a_100011331962_200025704644 [0,1,0,0,0,1|1,0,0]=3 959 B13R1.543 COC(=O)C1CN(CCO1)C(=O)C 240690a_100000751517_100015343762 [0,1,0,0,0,1|1,0,0]=3 960 B13R1.543 COC(=O)C1CN(CCO1)C(=O)C 527a_100000751517_100103153847 [0,1,0,0,0,1|1,0,0]=3 961 B13R1.543 COC(=O)N1CCCC(C1)C(=O)C 1458a_100000236103_200000210301 [0,1,0,0,0,1|1,0,0]=3 962 B13R1.543 COC(=O)N1CCCC(C1)C(=O)[13CH3] 1458a_100000236103_200025704644 [0,1,0,0,0,1|1,0,0]=3 963 B13R1.543 COC(=O)[C@H]1CCCN(C1)C(=O)C 240690a_100016988859_100015343762 [0,1,0,0,0,1|0,0,0]=2 964 B13R1.543 COC(=O)[C@H]1CCCN(C1)C(C)C 2230a_100016988859_100000210206 [0,1,0,0,0,1|1,0,1]=4 965 B13R1.543 COC(=O)[C@H]1CCCN(C1)C(C)C 269982a_100016988859_100000210206 [0,1,0,0,0,1|1,0,1]=4 966 B13R1.543 NC(=O)C1CCCN(C1)C(=O)CO 240690a_100000195536_100000210174 [0,1,0,0,0,1|1,0,0]=3 967 B13R1.543 NC(=O)C1CN(CCO1)C(=O)CO 240690a_100000748043_100000210174 [0,1,0,0,0,1|2,0,0]=4 968 B13R1.543 NC(=O)C1CN(CCO1)C(=O)CO 527a_100000748043_100000210174 [0,1,0,0,0,1|2,0,0]=4 969 B13R1.543 NC(=O)N1CCCC(C1)C(=O)CF 1458a_100000212328_100015361967 [0,1,0,0,0,1|2,0,0]=4 970 B13R1.165 CC(C)N1CC(CCC1C(=O)O)O 269956a_100000089875_100000210206 [0,1,0,0,0,1|1,0,1]=4 971 B13R1.165 CC(C)N1CCN(CC1C(=O)O)C 269956a_100020626280_100000210206 [0,1,0,0,0,1|1,0,1]=4 972 B13R1.165 CC(C)N1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210206 [0,1,0,0,0,1|1,0,1]=4 973 B13R1.295 CC(C)N1C(CCCC1C(=O)O)C 269956a_100000704260_100000210206 [0,1,0,0,0,1|1,0,1]=4 974 B13R1.349 CC(=O)N1CCSCC1S(=O)(=O)C 11a_200000759317_100015343762 [0,1,0,0,0,1|1,0,1]=4 975 B13R1.349 CC(=O)N1CCSCC1S(=O)(=O)C 1626a_200000759317_100015343762 [0,1,0,0,0,1|1,0,1]=4 976 B13R1.349 CC(=O)N1CCSCC1S(=O)(=O)C 240690a_200000759317_100015343762 [0,1,0,0,0,1|1,0,1]=4 977 B13R1.349 CC(C)(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000211941 [0,1,0,0,0,1|1,0,1]=4 978 B13R1.349 CC(C)(C)N1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000211941 [0,1,0,0,0,1|1,0,1]=4 979 B13R1.349 CC(C)(C)N1CCSCC1C(=O)O 269956a_100011346106_100000211941 [0,1,0,0,0,1|1,0,1]=4 980 B13R1.349 CC(C)(C)N1CSCCC1C(=O)O 269956a_100015185162_100000211941 [0,1,0,0,0,1|1,0,1]=4 981 B13R1.349 CS(=O)(=O)N1CCCCC1C(=O)N 40a_100000181395_100000738038 [0,1,0,0,0,1|2,0,0]=4 982 B13R1.547 C#CC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000035995 [0,1,0,0,0,1|1,0,1]=4 983 B13R1.547 C#CC(C)N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000035995 [0,1,0,0,0,1|1,0,1]=4 984 B13R1.547 C#CC(C)N1CCSCC1C(=O)O 269956a_100011346106_200000035995 [0,1,0,0,0,1|1,0,1]=4 985 B13R1.547 C#CC(C)N1CSCCC1C(=O)O 269956a_100015185162_200000035995 [0,1,0,0,0,1|1,0,1]=4 986 B13R1.547 C=CC(=O)N1CCCCC1C(=O)N 1626a_100000181395_100000185746 [0,1,0,0,0,1|1,0,1]=4 987 B13R1.547 C=CC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011215867 [0,1,0,0,0,1|1,0,1]=4 988 B13R1.547 C=CC(C)N1CCOC[C@@H]1C(=O)O 269956a_100016993156_100011215867 [0,1,0,0,0,1|1,0,1]=4 989 B13R1.547 C=CC(C)N1CCSCC1C(=O)O 269956a_100011346106_100011215867 [0,1,0,0,0,1|1,0,1]=4 990 B13R1.547 C=CC(C)N1CSCCC1C(=O)O 269956a_100015185162_100011215867 [0,1,0,0,0,1|1,0,1]=4 991 B13R1.547 CC(=O)N1CCCCC1C(=O)CF 1458a_100000195068_100015361967 [0,1,0,0,0,1|1,0,0]=3 992 B13R1.547 CC(C#N)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000184139 [0,1,0,0,0,1|1,0,1]=4 993 B13R1.547 CC(C#N)N1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000184139 [0,1,0,0,0,1|1,0,1]=4 994 B13R1.547 CC(C#N)N1CCSCC1C(=O)O 269956a_100011346106_100000184139 [0,1,0,0,0,1|1,0,1]=4 995 B13R1.547 CC(C#N)N1CSCCC1C(=O)O 269956a_100015185162_100000184139 [0,1,0,0,0,1|1,0,1]=4 996 B13R1.547 CCC(=O)C1CCCCN1C(=O)C 1458a_100000195068_100000210202 [0,1,0,0,0,1|1,0,0]=3 997 B13R1.547 CCC(=O)N1CCCCC1C(=O)N 1626a_100000181395_100000210414 [0,1,0,0,0,1|1,0,0]=3 998 B13R1.547 CCC(=O)N1CCCCC1C(=O)N 527a_100000181395_100000210414 [0,1,0,0,0,1|1,0,0]=3 999 B13R1.547 CCC(=O)[C@@H]1CCCC[C@H]1C(=O)N 1458a_200009911122_100000210202 [0,1,0,0,0,1|2,0,0]=4 1000 B13R1.547 CCC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000758301 [0,1,0,0,0,1|1,0,1]=4 1001 B13R1.547 CCC(C)N1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000758301 [0,1,0,0,0,1|1,0,1]=4 1002 B13R1.547 CCC(C)N1CCSCC1C(=O)O 269956a_100011346106_100000758301 [0,1,0,0,0,1|1,0,1]=4 1003 B13R1.547 CCC(C)N1CSCCC1C(=O)O 269956a_100015185162_100000758301 [0,1,0,0,0,1|1,0,1]=4 1004 B13R1.547 CNC(=O)C1CCCCN1C(=O)C 11a_100011209383_100015343762 [0,1,0,0,0,1|1,0,0]=3 1005 B13R1.547 CNC(=O)C1CCCCN1C(=O)C 11a_106832991635_100000195068 [0,1,0,0,0,1|1,0,0]=3 1006 B13R1.547 CNC(=O)C1CCCCN1C(=O)C 1626a_100102657272_100000195068 [0,1,0,0,0,1|1,0,0]=3 1007 B13R1.547 CNC(=O)C1CCCCN1C(=O)C 240690a_100011209383_100015343762 [0,1,0,0,0,1|1,0,0]=3 1008 B13R1.547 CNC(=O)C1CCCCN1C(=O)C 240690a_100102657272_100000195068 [0,1,0,0,0,1|1,0,0]=3 1009 B13R1.547 CNC(=O)C1CCCCN1C(=O)C 527a_100011209383_100103153847 [0,1,0,0,0,1|1,0,0]=3 1010 B13R1.547 CNC(=O)C1CCCCN1C(=O)C 527a_100102657272_100000195068 [0,1,0,0,0,1|1,0,0]=3 1011 B13R1.547 CNC(=O)N1CCCCC1C(=O)N 273464a_100102657272_100000181395 [0,1,0,0,0,1|1,0,0]=3 1012 B13R1.547 CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N 240690a_100102657272_200009911122 [0,1,0,0,0,1|2,0,0]=4 1013 B13R1.547 CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N 527a_100102657272_200009911122 [0,1,0,0,0,1|2,0,0]=4 1014 B13R1.547 COC(=O)C1CCCCN1C(=O)C 11a_100000734855_100015343762 [0,1,0,0,0,1|0,0,0]=2 1015 B13R1.547 COC(=O)C1CCCCN1C(=O)C 1626a_100000734855_100015343762 [0,1,0,0,0,1|0,0,0]=2 1016 B13R1.547 COC(=O)C1CCCCN1C(=O)C 240690a_100000734855_100015343762 [0,1,0,0,0,1|0,0,0]=2 1017 B13R1.547 COC(=O)C1CCCCN1C(=O)C 527a_100000734855_100103153847 [0,1,0,0,0,1|0,0,0]=2 1018 B13R1.547 COC(=O)C1CCCCN1C(C)C 2230a_100000734855_100000210206 [0,1,0,0,0,1|1,0,1]=4 1019 B13R1.547 COC(=O)C1CCCCN1C(C)C 269982a_100000734855_100000210206 [0,1,0,0,0,1|1,0,1]=4 1020 B13R1.547 COC(=O)C1CCCCN1C(C)C 34a_100000734855_100000210206 [0,1,0,0,0,1|1,0,1]=4 1021 B13R1.547 COC(=O)C1COCCN1C(=O)C 11a_100000765174_100015343762 [0,1,0,0,0,1|0,0,0]=2 1022 B13R1.547 COC(=O)C1COCCN1C(=O)C 240690a_100000765174_100015343762 [0,1,0,0,0,1|0,0,0]=2 1023 B13R1.547 COC(=O)C1COCCN1C(C)C 2230a_100000765174_100000210206 [0,1,0,0,0,1|1,0,1]=4 1024 B13R1.547 COC(=O)C1COCCN1C(C)C 34a_100000765174_100000210206 [0,1,0,0,0,1|1,0,1]=4 1025 B13R1.547 COC(=O)N1CCCCC1C(=O)C 1458a_100000236124_200000210301 [0,1,0,0,0,1|1,0,0]=3 1026 B13R1.547 COC(=O)N1CCCCC1C(=O)[13CH3] 1458a_100000236124_200025704644 [0,1,0,0,0,1|1,0,0]=3 1027 B13R1.547 COC(=O)[C@H]1CC=CC[C@H]1C(=O)C 1458a_100015907524_200000210301 [0,1,0,0,0,1|1,0,1]=4 1028 B13R1.547 COC(=O)[C@H]1CC=CC[C@H]1C(=O)[13CH3] 1458a_100015907524_200025704644 [0,1,0,0,0,1|1,0,1]=4 1029 B13R1.547 COC(=O)[C@H]1CCCC[C@H]1C(=O)C 1458a_100009817520_200000210301 [0,1,0,0,0,1|1,0,0]=3 1030 B13R1.547 COC(=O)[C@H]1CCCC[C@H]1C(=O)[13CH3] 1458a_100009817520_200025704644 [0,1,0,0,0,1|1,0,0]=3 1031 B13R1.547 COC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100009879195 [0,1,0,0,0,1|0,0,2]=4 1032 B13R1.547 COC(C)N1CCOC[C@@H]1C(=O)O 269956a_100016993156_100009879195 [0,1,0,0,0,1|0,0,2]=4 1033 B13R1.547 COC(C)N1CCSCC1C(=O)O 269956a_100011346106_100009879195 [0,1,0,0,0,1|0,0,2]=4 1034 B13R1.547 COC(C)N1CSCCC1C(=O)O 269956a_100015185162_100009879195 [0,1,0,0,0,1|0,0,2]=4 1035 B13R1.547 C[C@H](CO)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100016084084 [0,1,0,0,0,1|0,0,2]=4 1036 B13R1.547 C[C@H](CO)N1CCOC[C@@H]1C(=O)O 269956a_100016993156_100016084084 [0,1,0,0,0,1|0,0,2]=4 1037 B13R1.547 C[C@H](CO)N1CCSCC1C(=O)O 269956a_100011346106_100016084084 [0,1,0,0,0,1|0,0,2]=4 1038 B13R1.547 C[C@H](CO)N1CSCCC1C(=O)O 269956a_100015185162_100016084084 [0,1,0,0,0,1|0,0,2]=4 1039 B13R1.547 NC(=O)C1CCCCN1C(=O)CO 527a_100000181395_100000210174 [0,1,0,0,0,1|1,0,0]=3 1040 B13R1.547 NC(=O)[C@@H]1CCCC[C@H]1C(=O)CF 1458a_200009911122_100015361967 [0,1,0,0,0,1|2,0,0]=4 1041 B13R1.1091 CC(C)N1CCCCC1(C)C(=O)O 269956a_100000698061_100000210206 [0,1,0,0,0,1|1,0,1]=4 1042 B13R1.350 C=C(C)C(=O)N1CCC[C@H]1C(=O)N 11a_100000003125_100000185857 [0,1,0,0,0,1|2,0,0]=4 1043 B13R1.350 CC(=O)C(C)N1CC=C[C@H]1C(=O)O 269956a_100000057196_100009814033 [0,1,0,0,0,1|0,0,2]=4 1044 B13R1.350 CC(=O)C(C)N1CCC[C@H]1C(=O)N 2230a_100000003125_100009814033 [0,1,0,0,0,1|1,0,0]=3 1045 B13R1.350 CC(=O)C(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100009814033 [0,1,0,0,0,1|0,0,0]=2 1046 B13R1.350 CC(=O)C(C)N1CCSC1C(=O)O 269956a_100000035718_100009814033 [0,1,0,0,0,1|1,0,0]=3 1047 B13R1.350 CC(=O)C(C)N1CSC[C@H]1C(=O)O 269956a_100000743924_100009814033 [0,1,0,0,0,1|1,0,0]=3 1048 B13R1.350 CC(C(=O)N)N1CCC[C@H]1C(=O)N 2230a_100000003125_100000702099 [0,1,0,0,0,1|2,0,0]=4 1049 B13R1.350 NC(=O)C(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100011215815 [0,1,0,0,0,1|2,0,0]=4 1050 B13R1.350 NC(=O)C(F)N1CCC[C@H]1C(=O)N 2230a_100000003125_100009813875 [0,1,0,0,0,1|2,0,0]=4 1051 B13R1.551 C=C(C)CN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000748629 [0,1,0,0,0,1|2,0,0]=4 1052 B13R1.551 C=C(C)CN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000748629 [0,1,0,0,0,1|2,0,0]=4 1053 B13R1.551 C=C(C)CN1CCC[C@H]1C(=O)NC 34a_100015185040_100000748629 [0,1,0,0,0,1|2,0,0]=4 1054 B13R1.551 C=C(C)CN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000748629 [0,1,0,0,0,1|1,0,0]=3 1055 B13R1.551 C=C(C)CN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000748629 [0,1,0,0,0,1|1,0,0]=3 1056 B13R1.551 C=C(C)CN1CCSC1C(=O)OC 2230a_100015296106_100000748629 [0,1,0,0,0,1|2,0,0]=4 1057 B13R1.551 C=C(C)CN1CCSC1C(=O)OC 269982a_100015296106_100000748629 [0,1,0,0,0,1|2,0,0]=4 1058 B13R1.551 C=C(C)CN1CSCC1C(=O)OC 269982a_200000724679_100000748629 [0,1,0,0,0,1|2,0,0]=4 1059 B13R1.551 C=C(F)CN1CCC[C@H]1C(=O)OC 2230a_100000752040_100009893438 [0,1,0,0,0,1|1,0,1]=4 1060 B13R1.551 C=C(F)CN1CCC[C@H]1C(=O)OC 269982a_100000752040_100009893438 [0,1,0,0,0,1|1,0,1]=4 1061 B13R1.551 CNC(=O)[C@@H]1CCCN1CC(=O)N 2230a_100015185040_100000747473 [0,1,0,0,0,1|2,0,0]=4 1062 B13R1.551 CNC(=O)[C@@H]1CCCN1CC(=O)N 269982a_100015185040_100000187820 [0,1,0,0,0,1|2,0,0]=4 1063 B13R1.551 CNC(=O)[C@@H]1CCCN1CC(=O)N 34a_100015185040_100000187820 [0,1,0,0,0,1|2,0,0]=4 1064 B13R1.551 CNC(=O)[C@@H]1CCCN1CC(=O)[O-] 269982a_100015185040_100020667443 [0,1,0,0,0,1|2,0,0]=4 1065 B13R1.551 CNC(=O)[C@@H]1CCCN1CC(=O)[O-] 34a_100015185040_100020667443 [0,1,0,0,0,1|2,0,0]=4 1066 B13R1.551 COC(=O)C1COCC1NC(=O)C 188690a_200134615883_100015343762 [0,1,0,0,0,1|2,0,0]=4 1067 B13R1.551 COC(=O)C1CSCN1CC(=O)N 269982a_200000724679_100000187820 [0,1,0,0,0,1|2,0,0]=4 1068 B13R1.551 COC(=O)C1CSCN1CC(=O)[O-] 269982a_200000724679_100020667443 [0,1,0,0,0,1|2,0,0]=4 1069 B13R1.551 COC(=O)C1SCCN1CC(=O)N 2230a_100015296106_100000747473 [0,1,0,0,0,1|2,0,0]=4 1070 B13R1.551 COC(=O)C1SCCN1CC(=O)N 269982a_100015296106_100000187820 [0,1,0,0,0,1|2,0,0]=4 1071 B13R1.551 COC(=O)C1SCCN1CC(=O)[O-] 269982a_100015296106_100020667443 [0,1,0,0,0,1|2,0,0]=4 1072 B13R1.551 COC(=O)[C@@H]1CCCN1CC(=O)N 2230a_100000752040_100000747473 [0,1,0,0,0,1|1,0,0]=3 1073 B13R1.551 COC(=O)[C@@H]1CCCN1CC(=O)N 269982a_100000752040_100000187820 [0,1,0,0,0,1|1,0,0]=3 1074 B13R1.551 COC(=O)[C@@H]1CCCN1CC(=O)[O-] 269982a_100000752040_100020667443 [0,1,0,0,0,1|1,0,0]=3 1075 B13R1.551 COC(=O)[C@@H]1CCCN1CC(C)C 2230a_100000752040_100000210760 [0,1,0,0,0,1|1,0,1]=4 1076 B13R1.551 COC(=O)[C@@H]1CCCN1CC(C)C 269982a_100000752040_100000210624 [0,1,0,0,0,1|1,0,1]=4 1077 B13R1.551 COC(=O)[C@@H]1CCCN1CC(C)C 270004a_100000752040_100000210432 [0,1,0,0,0,1|1,0,1]=4 1078 B13R1.551 COC(=O)[C@@H]1CCCN1CC(C)O 2230a_100000752040_100011218427 [0,1,0,0,0,1|0,0,2]=4 1079 B13R1.551 COC(=O)[C@@H]1CCCN1CC(C)O 269982a_100000752040_100011218427 [0,1,0,0,0,1|0,0,2]=4 1080 B13R1.551 COC(=O)[C@@H]1CCCN1C[C@@H](C)O 2230a_100000752040_100009817552 [0,1,0,0,0,1|0,0,2]=4 1081 B13R1.551 COC(=O)[C@@H]1CCCN1C[C@@H](C)O 269982a_100000752040_100009817552 [0,1,0,0,0,1|0,0,2]=4 1082 B13R1.551 COC(=O)[C@@H]1CCCN1C[N+](=O)[O-] 269982a_100000752040_100000761209 [0,1,0,0,0,1|2,0,0]=4 1083 B13R1.1011 CC(C)(C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100011219605 [0,1,0,0,0,1|1,0,1]=4 1084 B13R1.1011 CC(C)(F)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100011997219 [0,1,0,0,0,1|1,0,1]=4 1085 B13R1.1011 CC(C)(O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000764493 [0,1,0,0,0,1|0,0,2]=4 1086 B13R1.1011 C[N+](C)(C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000036245 [0,1,0,0,0,1|2,0,0]=4 1087 B13R1.1011 C[Si](C)(C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000037933 [0,1,0,0,0,1|1,1,0]=4 1088 B13R1.1011 NS(=O)(=O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000741382 [0,1,0,0,0,1|2,0,0]=4 1089 B13R1.1011 O=C(O)[C@@H]1CCCN1CS(=O)(=O)[O-] 269956a_100000743916_100009817235 [0,1,0,0,0,1|2,0,0]=4 1090 B13R1.2025 C=C(C)CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000748629 [0,1,0,0,0,1|1,0,0]=3 1091 B13R1.2025 C=C(F)CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000042424 [0,1,0,0,0,1|1,0,1]=4 1092 B13R1.2025 CC(C)CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210760 [0,1,0,0,0,1|1,0,1]=4 1093 B13R1.2025 CC(O)CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100011218427 [0,1,0,0,0,1|0,0,2]=4 1094 B13R1.2025 C[C@@H](O)CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100009817552 [0,1,0,0,0,1|0,0,2]=4 1095 B13R1.2025 C[C@]1(CCCN1CC(=O)N)C(=O)O 269956a_100009816582_100000187820 [0,1,0,0,0,1|1,0,0]=3 1096 B13R1.2025 C[C@]1(CCCN1CC(=O)[O-])C(=O)O 269956a_100009816582_100020667443 [0,1,0,0,0,1|1,0,0]=3 1097 B13R1.2025 C[C@]1(CCCN1C[N+](=O)[O-])C(=O)O 269956a_100009816582_100000761209 [0,1,0,0,0,1|2,0,0]=4 1098 B13R1.2880 C=C(C#N)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000694840 [0,1,0,0,0,1|1,0,1]=4 1099 B13R1.2880 CCC(=O)CN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000747405 [0,1,0,0,0,1|0,0,2]=4 1100 B13R1.2880 CCC(=O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000747405 [0,1,0,0,0,1|0,0,0]=2 1101 B13R1.2880 CCC(=O)CN1CCSC1C(=O)O 269956a_100000035718_100000747405 [0,1,0,0,0,1|1,0,0]=3 1102 B13R1.2880 CCC(=O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100000747405 [0,1,0,0,0,1|1,0,0]=3 1103 B13R1.2880 CCC(C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000748023 [0,1,0,0,0,1|1,0,1]=4 1104 B13R1.2880 CCC(O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218378 [0,1,0,0,0,1|0,0,2]=4 1105 B13R1.2880 CC[C@H](C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100009816398 [0,1,0,0,0,1|1,0,1]=4 1106 B13R1.2880 CNC(=O)CN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000183359 [0,1,0,0,0,1|0,0,2]=4 1107 B13R1.2880 CNC(=O)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100000183359 [0,1,0,0,0,1|1,0,0]=3 1108 B13R1.2880 CNC(=O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000183359 [0,1,0,0,0,1|0,0,0]=2 1109 B13R1.2880 CNC(=O)CN1CCSC1C(=O)O 269956a_100000035718_100000183359 [0,1,0,0,0,1|1,0,0]=3 1110 B13R1.2880 CNC(=O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100000183359 [0,1,0,0,0,1|1,0,0]=3 1111 B13R1.2880 COC(=O)CN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000747449 [0,1,0,0,0,1|0,0,2]=4 1112 B13R1.2880 COC(=O)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100000747449 [0,1,0,0,0,1|1,0,0]=3 1113 B13R1.2880 COC(=O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000747449 [0,1,0,0,0,1|0,0,0]=2 1114 B13R1.2880 COC(=O)CN1CCSC1C(=O)O 269956a_100000035718_100000747449 [0,1,0,0,0,1|1,0,0]=3 1115 B13R1.2880 COC(=O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100000747449 [0,1,0,0,0,1|1,0,0]=3 1116 B13R1.2880 COC(=O)C[C@H]1CCCN1C(=O)C 11a_100025726698_100015343762 [0,1,0,0,0,1|0,0,0]=2 1117 B13R1.2880 COC(=O)C[C@H]1CCCN1C(=O)C 1626a_100025726698_100015343762 [0,1,0,0,0,1|0,0,0]=2 1118 B13R1.2880 COC(=O)C[C@H]1CCCN1C(=O)C 240690a_100025726698_100015343762 [0,1,0,0,0,1|0,0,0]=2 1119 B13R1.2880 COC(=O)C[C@H]1CCCN1C(=O)C 527a_100025726698_100103153847 [0,1,0,0,0,1|0,0,0]=2 1120 B13R1.2880 COC(=O)C[C@H]1CCCN1C(C)C 2230a_100025726698_100000210206 [0,1,0,0,0,1|1,0,1]=4 1121 B13R1.2880 COC(=O)C[C@H]1CCCN1C(C)C 269982a_100025726698_100000210206 [0,1,0,0,0,1|1,0,1]=4 1122 B13R1.2880 COC(=O)C[C@H]1CCCN1C(C)C 34a_100025726698_100000210206 [0,1,0,0,0,1|1,0,1]=4 1123 B13R1.2880 C[C@@H](CO)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000059175 [0,1,0,0,0,1|0,0,2]=4 1124 B13R1.2880 O=C(O)[C@@H]1CCCN1CC(O)CO 269956a_100000743916_100011219619 [0,1,0,0,0,1|0,0,2]=4 1125 B13R1.2880 O=C(O)[C@@H]1CCCN1C[C@@H](O)CF 269956a_100000743916_100015614560 [0,1,0,0,0,1|0,0,2]=4 1126 B13R1.2880 O=C(O)[C@@H]1CCCN1C[C@@H](O)CO 269956a_100000743916_100009815848 [0,1,0,0,0,1|0,0,2]=4 1127 B13R1.3487 C=C(C)CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000748629 [0,1,0,0,0,1|2,0,0]=4 1128 B13R1.3487 C=C(C)CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000748629 [0,1,0,0,0,1|2,0,0]=4 1129 B13R1.3487 C=C(C)CN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000748629 [0,1,0,0,0,1|2,0,0]=4 1130 B13R1.3487 C=C(C)CN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000748629 [0,1,0,0,0,1|2,0,0]=4 1131 B13R1.3487 C=C(C)CN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000748629 [0,1,0,0,0,1|2,0,0]=4 1132 B13R1.3487 C=C(C)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000748629 [0,1,0,0,0,1|1,0,0]=3 1133 B13R1.3487 C=C(C)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000748629 [0,1,0,0,0,1|1,0,0]=3 1134 B13R1.3487 C=C(F)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000042424 [0,1,0,0,0,1|1,0,1]=4 1135 B13R1.3487 C=C(F)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000042424 [0,1,0,0,0,1|1,0,1]=4 1136 B13R1.3487 CC(C)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210760 [0,1,0,0,0,1|1,0,1]=4 1137 B13R1.3487 CC(C)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210760 [0,1,0,0,0,1|1,0,1]=4 1138 B13R1.3487 CC(O)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100011218427 [0,1,0,0,0,1|0,0,2]=4 1139 B13R1.3487 CC(O)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100011218427 [0,1,0,0,0,1|0,0,2]=4 1140 B13R1.3487 C[C@@H](O)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100009817552 [0,1,0,0,0,1|0,0,2]=4 1141 B13R1.3487 C[C@@H](O)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100009817552 [0,1,0,0,0,1|0,0,2]=4 1142 B13R1.3487 NC(=O)CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000747473 [0,1,0,0,0,1|2,0,0]=4 1143 B13R1.3487 NC(=O)CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000187820 [0,1,0,0,0,1|2,0,0]=4 1144 B13R1.3487 NC(=O)CN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000747473 [0,1,0,0,0,1|2,0,0]=4 1145 B13R1.3487 NC(=O)CN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000187820 [0,1,0,0,0,1|2,0,0]=4 1146 B13R1.3487 NC(=O)CN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000187820 [0,1,0,0,0,1|2,0,0]=4 1147 B13R1.3487 NC(=O)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000187820 [0,1,0,0,0,1|1,0,0]=3 1148 B13R1.3487 NC(=O)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000187820 [0,1,0,0,0,1|1,0,0]=3 1149 B13R1.3487 NC(=O)[C@@H]1C[C@@H](CN1CC(=O)[O-])F 269982a_100020614896_100020667443 [0,1,0,0,0,1|2,0,0]=4 1150 B13R1.3487 NC(=O)[C@@H]1C[C@@H](CN1CC(=O)[O-])F 34a_100020614896_100020667443 [0,1,0,0,0,1|2,0,0]=4 1151 B13R1.3487 NC(=O)[C@@H]1C[C@H](CN1CC(=O)[O-])O 269982a_100020587027_100020667443 [0,1,0,0,0,1|2,0,0]=4 1152 B13R1.3487 O=C(O)[C@@H]1C[C@@H](CN1C[N+](=O)[O-])F 269956a_100016993324_100000761209 [0,1,0,0,0,1|2,0,0]=4 1153 B13R1.3487 O=C(O)[C@@H]1C[C@@H](CN1C[N+](=O)[O-])O 269956a_100000750407_100000761209 [0,1,0,0,0,1|2,0,0]=4 1154 B13R1.3487 O=C([O-])CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100020667443 [0,1,0,0,0,1|1,0,0]=3 1155 B13R1.3487 O=C([O-])CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100020667443 [0,1,0,0,0,1|1,0,0]=3 1156 B13R1.273 C#CC(C)(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000038118 [0,2,0,0,0,0|1,0,1]=4 1157 B13R1.273 CCC(C)(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000032637 [0,2,0,0,0,0|1,0,1]=4 1158 B13R1.273 CCS(=O)(=O)N1CCC[C@H]1C(=O)N 270084a_100000003125_100000211323 [0,2,0,0,0,0|2,0,0]=4 1159 B13R1.273 CCS(=O)(=O)N1CCC[C@H]1C(=O)N 274078a_100000003125_100000211323 [0,2,0,0,0,0|2,0,0]=4 1160 B13R1.273 CCS(=O)(=O)N1CCC[C@H]1C(=O)N 40a_100000003125_100000053943 [0,2,0,0,0,0|2,0,0]=4 1161 B13R1.273 COC(C)(C)[C@@H]1CCCN1C(=O)C 11a_102125402721_100015343762 [0,2,0,0,0,0|1,0,1]=4 1162 B13R1.273 COC(C)(C)[C@@H]1CCCN1C(=O)C 1626a_102125402721_100015343762 [0,2,0,0,0,0|1,0,1]=4 1163 B13R1.273 COC(C)(C)[C@@H]1CCCN1C(=O)C 240690a_102125402721_100015343762 [0,2,0,0,0,0|1,0,1]=4 1164 B13R1.273 COC(C)(C)[C@@H]1CCCN1C(=O)C 527a_102125402721_100103153847 [0,2,0,0,0,0|1,0,1]=4 1165 B13R1.273 NC(=O)[C@@H]1CCCN1S(=O)(=O)CCl 270084a_100000003125_100000031410 [0,2,0,0,0,0|2,0,0]=4 1166 B13R1.273 NC(=O)[C@@H]1CCCN1S(=O)(=O)CCl 274078a_100000003125_100000031410 [0,2,0,0,0,0|2,0,0]=4 1167 B13R1.273 O=C(O)[C@@H]1CCCN1C(F)(F)CO 269956a_100000743916_100011217949 [0,2,0,0,0,0|1,0,1]=4 1168 B13R1.552 CC(C)(O)[C@H]1CCCN1C(=O)CO 240690a_100020587339_100000210174 [0,2,0,0,0,0|1,0,1]=4 1169 B13R1.552 CC(C)(O)[C@H]1CCCN1C(=O)CO 527a_100020587339_100000210174 [0,2,0,0,0,0|1,0,1]=4 1170 B13R1.552 CCC(=O)C1CCCN1S(=O)(=O)C 1458a_100000165837_100000210202 [0,2,0,0,0,0|2,0,0]=4 1171 B13R1.552 CCC(=O)N1CCC[C@@H]1C(C)(C)O 11a_100020587339_100000210414 [0,2,0,0,0,0|1,0,1]=4 1172 B13R1.552 CCC(=O)N1CCC[C@@H]1C(C)(C)O 1626a_100020587339_100000210414 [0,2,0,0,0,0|1,0,1]=4 1173 B13R1.552 CCC(=O)N1CCC[C@@H]1C(C)(C)O 240690a_100020587339_100000210414 [0,2,0,0,0,0|1,0,1]=4 1174 B13R1.552 CCC(=O)N1CCC[C@@H]1C(C)(C)O 527a_100020587339_100000210414 [0,2,0,0,0,0|1,0,1]=4 1175 B13R1.552 CNC(=O)C1CCCN1S(=O)(=O)C 11a_106832991635_100000165837 [0,2,0,0,0,0|2,0,0]=4 1176 B13R1.552 CNC(=O)C1CCCN1S(=O)(=O)C 1626a_100102657272_100000165837 [0,2,0,0,0,0|2,0,0]=4 1177 B13R1.552 CNC(=O)C1CCCN1S(=O)(=O)C 240690a_100102657272_100000165837 [0,2,0,0,0,0|2,0,0]=4 1178 B13R1.552 CNC(=O)C1CCCN1S(=O)(=O)C 527a_100102657272_100000165837 [0,2,0,0,0,0|2,0,0]=4 1179 B13R1.552 CNC(=O)N1CCC[C@@H]1C(C)(C)O 2708a_100102657272_100020587339 [0,2,0,0,0,0|1,0,1]=4 1180 B13R1.552 CNC(=O)N1CCC[C@@H]1C(C)(C)O 273464a_100102657272_100020587339 [0,2,0,0,0,0|1,0,1]=4 1181 B13R1.552 CNC(=O)[C@@H]1CCCN1S(=O)(=O)C 40a_100015185040_100000738038 [0,2,0,0,0,0|2,0,0]=4 1182 B13R1.552 COC(=O)C1CSCN1S(=O)(=O)C 40a_200000724679_100000738038 [0,2,0,0,0,0|2,0,0]=4 1183 B13R1.552 COC(=O)C1SCCN1S(=O)(=O)C 40a_100015296106_100000738038 [0,2,0,0,0,0|2,0,0]=4 1184 B13R1.552 COC(=O)[C@@H]1CCCN1C(C)(C)C 269982a_100000752040_100000210625 [0,2,0,0,0,0|1,0,1]=4 1185 B13R1.552 COC(=O)[C@@H]1CCCN1S(=O)(=O)C 40a_100000752040_100000738038 [0,2,0,0,0,0|1,0,0]=3 1186 B13R1.552 CS(=O)(=O)N1CCCC1C(=O)CF 1458a_100000165837_100015361967 [0,2,0,0,0,0|2,0,0]=4 1187 B13R1.1093 CC(C)(C)N1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000211941 [0,2,0,0,0,0|1,0,1]=4 1188 B13R1.3460 CC(C)(C)N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000211941 [0,2,0,0,0,0|1,0,1]=4 1189 B13R1.3460 CC(C)(C)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000211941 [0,2,0,0,0,0|1,0,1]=4 1190 B13R1.3460 CS(=O)(=O)N1C[C@@H](C[C@H]1C(=O)N)O 40a_100020587027_100000738038 [0,2,0,0,0,0|2,0,0]=4 1191 B13R1.3460 CS(=O)(=O)N1C[C@H](C[C@H]1C(=O)N)F 40a_100020614896_100000738038 [0,2,0,0,0,0|2,0,0]=4 1192 B13R1.332 CCC(CC)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000210505 [0,2,0,0,0,0|1,0,1]=4 1193 B13R1.332 O=CC(C=O)N1CCC[C@H]1C(=O)O 269956a_100000743916_100011218033 [0,2,0,0,0,0|0,0,2]=4 1194 B13R1.467 C#CCC(=O)C1CCCN1C(=O)N 1458a_200000183025_100000184674 [0,2,0,0,0,0|2,0,0]=4 1195 B13R1.467 C#CCC(=O)N1CCC[C@H]1C(=O)N 527a_100000003125_100011220946 [0,2,0,0,0,0|1,0,0]=3 1196 B13R1.467 C#CCC(=O)[C@@H]1CCCN1C(=O)C 1458a_100011416801_100000184674 [0,2,0,0,0,0|1,0,0]=3 1197 B13R1.467 C#CCC(=O)[C@@H]1CSCN1C(=O)C 1458a_100011417960_100000184674 [0,2,0,0,0,0|2,0,0]=4 1198 B13R1.467 C=CCC(=O)C1CCCN1C(=O)N 1458a_200000183025_100000210623 [0,2,0,0,0,0|2,0,0]=4 1199 B13R1.467 C=CCC(=O)N1CCC[C@H]1C(=O)N 11a_100000003125_100000210193 [0,2,0,0,0,0|1,0,0]=3 1200 B13R1.467 C=CCC(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100000210193 [0,2,0,0,0,0|1,0,0]=3 1201 B13R1.467 C=CCC(=O)N1CCC[C@H]1C(=O)N 527a_100000003125_100000210193 [0,2,0,0,0,0|1,0,0]=3 1202 B13R1.467 C=CCC(=O)[C@@H]1CCCN1C(=O)C 1458a_100011416801_100000210623 [0,2,0,0,0,0|1,0,0]=3 1203 B13R1.467 C=CCC(=O)[C@@H]1CSCN1C(=O)C 1458a_100011417960_100000210623 [0,2,0,0,0,0|2,0,0]=4 1204 B13R1.467 CC(=O)N1CCC[C@H]1C(=O)CC#N 1458a_100011416801_100011214920 [0,2,0,0,0,0|1,0,0]=3 1205 B13R1.467 CC(=O)N1CCC[C@H]1C(=O)CCF 1458a_100011416801_100011217306 [0,2,0,0,0,0|1,0,0]=3 1206 B13R1.467 CC(=O)N1CCC[C@H]1C(=O)CCO 1458a_100011416801_100000211926 [0,2,0,0,0,0|0,0,0]=2 1207 B13R1.467 CC(=O)N1CSC[C@H]1C(=O)CC#N 1458a_100011417960_100011214920 [0,2,0,0,0,0|2,0,0]=4 1208 B13R1.467 CC(=O)N1CSC[C@H]1C(=O)CCF 1458a_100011417960_100011217306 [0,2,0,0,0,0|2,0,0]=4 1209 B13R1.467 CC(=O)N1CSC[C@H]1C(=O)CCO 1458a_100011417960_100000211926 [0,2,0,0,0,0|1,0,0]=3 1210 B13R1.467 CC(C)N1CCC[C@@H]1C(=O)CCO 1458a_100009927065_100000211926 [0,2,0,0,0,0|1,0,1]=4 1211 B13R1.467 CC(CC#N)N1CCC[C@H]1C(=O)O 269956a_100000743916_100009813641 [0,2,0,0,0,0|1,0,1]=4 1212 B13R1.467 CC(CCO)N1CCC[C@H]1C(=O)O 269956a_100000743916_100009893172 [0,2,0,0,0,0|0,0,2]=4 1213 B13R1.467 CC=CC(=O)N1CCC[C@H]1C(=O)N 11a_100000003125_100000210699 [0,2,0,0,0,0|1,0,0]=3 1214 B13R1.467 CC=CC(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100000210699 [0,2,0,0,0,0|1,0,0]=3 1215 B13R1.467 CCCC(=O)C1CCCN1C(=O)N 1458a_200000183025_100000210303 [0,2,0,0,0,0|2,0,0]=4 1216 B13R1.467 CCCC(=O)N1CCCC1C(=O)C 1458a_100000743415_200000210301 [0,2,0,0,0,0|1,0,0]=3 1217 B13R1.467 CCCC(=O)N1CCCC1C(=O)[13CH3] 1458a_100000743415_200025704644 [0,2,0,0,0,0|1,0,0]=3 1218 B13R1.467 CCCC(=O)N1CCC[C@H]1C(=O)N 11a_100000003125_100000211992 [0,2,0,0,0,0|1,0,0]=3 1219 B13R1.467 CCCC(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100000211992 [0,2,0,0,0,0|1,0,0]=3 1220 B13R1.467 CCCC(=O)N1CCC[C@H]1C(=O)N 527a_100000003125_100000211992 [0,2,0,0,0,0|1,0,0]=3 1221 B13R1.467 CCCC(=O)[C@@H]1CCCN1C(=O)C 1458a_100011416801_100000210303 [0,2,0,0,0,0|1,0,0]=3 1222 B13R1.467 CCCC(=O)[C@@H]1CSCN1C(=O)C 1458a_100011417960_100000210303 [0,2,0,0,0,0|2,0,0]=4 1223 B13R1.467 CCCC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000766640 [0,2,0,0,0,0|1,0,1]=4 1224 B13R1.467 CCNC(=O)C1CCCN1C(=O)N 240690a_100015525214_200000183025 [0,2,0,0,0,0|2,0,0]=4 1225 B13R1.467 CCNC(=O)N1CCC[C@H]1C(=O)N 273464a_100015525214_100000003125 [0,2,0,0,0,0|1,0,0]=3 1226 B13R1.467 CCNC(=O)[C@@H]1CCCN1C(=O)C 11a_100015525214_100011416801 [0,2,0,0,0,0|1,0,0]=3 1227 B13R1.467 CCNC(=O)[C@@H]1CCCN1C(=O)C 11a_100020641767_100015343762 [0,2,0,0,0,0|1,0,0]=3 1228 B13R1.467 CCNC(=O)[C@@H]1CCCN1C(=O)C 1626a_100020641767_100015343762 [0,2,0,0,0,0|1,0,0]=3 1229 B13R1.467 CCNC(=O)[C@@H]1CCCN1C(=O)C 240690a_100015525214_100011416801 [0,2,0,0,0,0|1,0,0]=3 1230 B13R1.467 CCNC(=O)[C@@H]1CCCN1C(=O)C 240690a_100020641767_100015343762 [0,2,0,0,0,0|1,0,0]=3 1231 B13R1.467 CCNC(=O)[C@@H]1CCCN1C(=O)C 527a_100020641767_100103153847 [0,2,0,0,0,0|1,0,0]=3 1232 B13R1.467 CCNC(=O)[C@@H]1CSCN1C(=O)C 11a_100015525214_100011417960 [0,2,0,0,0,0|2,0,0]=4 1233 B13R1.467 CCNC(=O)[C@@H]1CSCN1C(=O)C 240690a_100015525214_100011417960 [0,2,0,0,0,0|2,0,0]=4 1234 B13R1.467 CCNC(=O)[C@@H]1CSCN1C(=O)C 527a_100015525214_100011417960 [0,2,0,0,0,0|2,0,0]=4 1235 B13R1.467 CCOC(=O)[C@@H]1CCCN1C(=O)C 11a_100000703725_100015343762 [0,2,0,0,0,0|0,0,0]=2 1236 B13R1.467 CCOC(=O)[C@@H]1CCCN1C(=O)C 1626a_100000703725_100015343762 [0,2,0,0,0,0|0,0,0]=2 1237 B13R1.467 CCOC(=O)[C@@H]1CCCN1C(=O)C 240690a_100000703725_100015343762 [0,2,0,0,0,0|0,0,0]=2 1238 B13R1.467 CCOC(=O)[C@@H]1CCCN1C(=O)C 527a_100000703725_100103153847 [0,2,0,0,0,0|0,0,0]=2 1239 B13R1.467 CCOC(=O)[C@@H]1CCCN1C(C)C 2230a_100000703725_100000210206 [0,2,0,0,0,0|1,0,1]=4 1240 B13R1.467 CCOC(=O)[C@@H]1CCCN1C(C)C 269982a_100000703725_100000210206 [0,2,0,0,0,0|1,0,1]=4 1241 B13R1.467 CCOC(=O)[C@@H]1CSCN1C(=O)C 11a_100016989239_100015343762 [0,2,0,0,0,0|1,0,0]=3 1242 B13R1.467 CCOC(=O)[C@@H]1CSCN1C(=O)C 1626a_100016989239_100015343762 [0,2,0,0,0,0|1,0,0]=3 1243 B13R1.467 CCOC(=O)[C@@H]1CSCN1C(=O)C 240690a_100016989239_100015343762 [0,2,0,0,0,0|1,0,0]=3 1244 B13R1.467 CNCC(=O)N1CCC[C@H]1C(=O)N 2230a_106832991635_200009861209 [0,2,0,0,0,0|1,0,0]=3 1245 B13R1.467 CNCC(=O)N1CCC[C@H]1C(=O)N 34a_100102657272_200009861209 [0,2,0,0,0,0|1,0,0]=3 1246 B13R1.467 CNCC(=O)N1CCC[C@H]1C(=O)N 7a_106832991635_200009861209 [0,2,0,0,0,0|1,0,0]=3 1247 B13R1.467 CNCC(=O)N1CCC[C@H]1C(=O)O 269956a_200011416719_200000210301 [0,2,0,0,0,0|0,0,0]=2 1248 B13R1.467 CNNC(=O)C1CCCN1C(=O)N 22a_100016993582_200000183025 [0,2,0,0,0,0|2,0,0]=4 1249 B13R1.467 CNNC(=O)[C@@H]1CCCN1C(=O)C 22a_100016993582_100011416801 [0,2,0,0,0,0|1,0,0]=3 1250 B13R1.467 CNNC(=O)[C@@H]1CSCN1C(=O)C 22a_100016993582_100011417960 [0,2,0,0,0,0|2,0,0]=4 1251 B13R1.467 COCC(=O)N1CCC[C@H]1C(=O)N 11a_100000003125_100000210968 [0,2,0,0,0,0|1,0,0]=3 1252 B13R1.467 COCC(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100000210968 [0,2,0,0,0,0|1,0,0]=3 1253 B13R1.467 COCC(=O)N1CCC[C@H]1C(=O)N 34a_100138415774_200009861209 [0,2,0,0,0,0|1,0,0]=3 1254 B13R1.467 COCC(=O)N1CCC[C@H]1C(=O)N 527a_100000003125_100000210968 [0,2,0,0,0,0|1,0,0]=3 1255 B13R1.467 COCC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000765312 [0,2,0,0,0,0|0,0,2]=4 1256 B13R1.467 CSCC(=O)N1CCC[C@H]1C(=O)N 11a_100000003125_100000184570 [0,2,0,0,0,0|1,0,0]=3 1257 B13R1.467 CSCC(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100000184570 [0,2,0,0,0,0|1,0,0]=3 1258 B13R1.467 CSCC(=O)N1CCC[C@H]1C(=O)N 527a_100000003125_100000184570 [0,2,0,0,0,0|1,0,0]=3 1259 B13R1.467 CSCC(=O)N1CCC[C@H]1C(=O)N 62a_200000210301_200009861209 [0,2,0,0,0,0|1,0,0]=3 1260 B13R1.467 CSCC(=O)N1CCC[C@H]1C(=O)N 62a_200009861209_200000210301 [0,2,0,0,0,0|1,0,0]=3 1261 B13R1.467 N#CCC(=O)C1CCCN1C(=O)N 1458a_200000183025_100011214920 [0,2,0,0,0,0|2,0,0]=4 1262 B13R1.467 N#CCC(=O)N1CCC[C@H]1C(=O)N 240690a_100000003125_100051588842 [0,2,0,0,0,0|1,0,0]=3 1263 B13R1.467 NC(=O)N1CCCC1C(=O)CCF 1458a_200000183025_100011217306 [0,2,0,0,0,0|2,0,0]=4 1264 B13R1.467 NC(=O)N1CCCC1C(=O)CCO 1458a_200000183025_100000211926 [0,2,0,0,0,0|1,0,0]=3 1265 B13R1.467 NC(=O)[C@@H]1CCCN1C(=O)C=CBr 240690a_100000003125_100016273825 [0,2,0,0,0,0|1,0,1]=4 1266 B13R1.467 NC(=O)[C@@H]1CCCN1C(=O)C=CCl 11a_100000003125_200016279998 [0,2,0,0,0,0|1,0,1]=4 1267 B13R1.467 NC(=O)[C@@H]1CCCN1C(=O)C=CCl 240690a_100000003125_200016279998 [0,2,0,0,0,0|1,0,1]=4 1268 B13R1.467 NC(=O)[C@@H]1CCCN1C(=O)CCO 240690a_100000003125_100011216618 [0,2,0,0,0,0|1,0,0]=3 1269 B13R1.467 [13CH3]NCC(=O)N1CCC[C@H]1C(=O)O 269956a_200011416719_200025704644 [0,2,0,0,0,0|0,0,0]=2 1270 B13R1.467 [13CH3]SCC(=O)N1CCC[C@H]1C(=O)N 62a_200009861209_200025704644 [0,2,0,0,0,0|1,0,0]=3 1271 B13R1.467 [13CH3]SCC(=O)N1CCC[C@H]1C(=O)N 62a_200025704644_200009861209 [0,2,0,0,0,0|1,0,0]=3 1272 B13R1.541 C#CC(C)N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200000035995 [0,2,0,0,0,0|1,0,1]=4 1273 B13R1.541 C#CC(C)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000035995 [0,2,0,0,0,0|1,0,1]=4 1274 B13R1.541 C=C1C[C@H](N(C1)C(=O)C)C(=O)OC 11a_100025771018_100015343762 [0,2,0,0,0,0|0,0,1]=3 1275 B13R1.541 C=C1C[C@H](N(C1)C(=O)C)C(=O)OC 1626a_100025771018_100015343762 [0,2,0,0,0,0|0,0,1]=3 1276 B13R1.541 C=C1C[C@H](N(C1)C(=O)C)C(=O)OC 240690a_100025771018_100015343762 [0,2,0,0,0,0|0,0,1]=3 1277 B13R1.541 C=C1C[C@H](N(C1)C(=O)C)C(=O)OC 527a_100025771018_100103153847 [0,2,0,0,0,0|0,0,1]=3 1278 B13R1.541 C=CC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 240690a_100020587027_200121576911 [0,2,0,0,0,0|1,0,1]=4 1279 B13R1.541 C=CC(=O)N1C[C@H](C[C@H]1C(=O)N)F 1626a_100020614896_100000185746 [0,2,0,0,0,0|1,0,1]=4 1280 B13R1.541 C=CC(=O)N1C[C@H](C[C@H]1C(=O)N)F 240690a_100020614896_200121576911 [0,2,0,0,0,0|1,0,1]=4 1281 B13R1.541 C=CC(C)N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100011215867 [0,2,0,0,0,0|1,0,1]=4 1282 B13R1.541 C=CC(C)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100011215867 [0,2,0,0,0,0|1,0,1]=4 1283 B13R1.541 CC(=O)N1C[C@@H](C[C@H]1C(=O)CF)O 1458a_100011830302_100015361967 [0,2,0,0,0,0|1,0,0]=3 1284 B13R1.541 CC(C#N)N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000184139 [0,2,0,0,0,0|1,0,1]=4 1285 B13R1.541 CC(C#N)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000184139 [0,2,0,0,0,0|1,0,1]=4 1286 B13R1.541 CCC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 240690a_100020587027_100000210414 [0,2,0,0,0,0|1,0,0]=3 1287 B13R1.541 CCC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 527a_100020587027_100000210414 [0,2,0,0,0,0|1,0,0]=3 1288 B13R1.541 CCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 11a_100020614896_100000210414 [0,2,0,0,0,0|1,0,0]=3 1289 B13R1.541 CCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 1626a_100020614896_100000210414 [0,2,0,0,0,0|1,0,0]=3 1290 B13R1.541 CCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 240690a_100020614896_100000210414 [0,2,0,0,0,0|1,0,0]=3 1291 B13R1.541 CCC(=O)N1C[C@H](C[C@H]1C(=O)N)F 527a_100020614896_100000210414 [0,2,0,0,0,0|1,0,0]=3 1292 B13R1.541 CCC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 1458a_100011830302_100000210202 [0,2,0,0,0,0|1,0,0]=3 1293 B13R1.541 CCC(C)N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000758301 [0,2,0,0,0,0|1,0,1]=4 1294 B13R1.541 CCC(C)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000758301 [0,2,0,0,0,0|1,0,1]=4 1295 B13R1.541 CNC(=O)N1C[C@@H](C[C@H]1C(=O)N)O 273464a_100102657272_100020587027 [0,2,0,0,0,0|1,0,0]=3 1296 B13R1.541 CNC(=O)N1C[C@H](C[C@H]1C(=O)N)F 273464a_100102657272_100020614896 [0,2,0,0,0,0|1,0,0]=3 1297 B13R1.541 CNC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 1626a_100102657272_100011830302 [0,2,0,0,0,0|1,0,0]=3 1298 B13R1.541 CNC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 240690a_100102657272_100011830302 [0,2,0,0,0,0|1,0,0]=3 1299 B13R1.541 COC(=O)[C@@H]1C[C@@H](CN1C(=O)C)F 11a_100000724535_100015343762 [0,2,0,0,0,0|0,0,0]=2 1300 B13R1.541 COC(=O)[C@@H]1C[C@@H](CN1C(=O)C)F 1626a_100000724535_100015343762 [0,2,0,0,0,0|0,0,0]=2 1301 B13R1.541 COC(=O)[C@@H]1C[C@@H](CN1C(=O)C)F 240690a_100000724535_100015343762 [0,2,0,0,0,0|0,0,0]=2 1302 B13R1.541 COC(=O)[C@@H]1C[C@@H](CN1C(=O)C)F 527a_100000724535_100103153847 [0,2,0,0,0,0|0,0,0]=2 1303 B13R1.541 COC(=O)[C@@H]1C[C@@H](CN1C(C)C)F 2230a_100000724535_100000210206 [0,2,0,0,0,0|1,0,1]=4 1304 B13R1.541 COC(=O)[C@@H]1C[C@@H](CN1C(C)C)F 269982a_100000724535_100000210206 [0,2,0,0,0,0|1,0,1]=4 1305 B13R1.541 COC(=O)[C@@H]1C[C@@H](CN1C(C)C)F 34a_100000724535_100000210206 [0,2,0,0,0,0|1,0,1]=4 1306 B13R1.541 COC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 240690a_100000753705_100015343762 [0,2,0,0,0,0|0,0,0]=2 1307 B13R1.541 COC(=O)[C@@H]1C[C@H](CN1C(=O)C)O 527a_100000753705_100103153847 [0,2,0,0,0,0|0,0,0]=2 1308 B13R1.541 COC(=O)[C@@H]1C[C@H](CN1C(C)C)O 2230a_100000753705_100000210206 [0,2,0,0,0,0|1,0,1]=4 1309 B13R1.541 COC(=O)[C@@H]1C[C@H](CN1C(C)C)O 269982a_100000753705_100000210206 [0,2,0,0,0,0|1,0,1]=4 1310 B13R1.541 COC(C)N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100009879195 [0,2,0,0,0,0|0,0,2]=4 1311 B13R1.541 COC(C)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100009879195 [0,2,0,0,0,0|0,0,2]=4 1312 B13R1.541 C[C@H](CO)N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100016084084 [0,2,0,0,0,0|0,0,2]=4 1313 B13R1.541 C[C@H](CO)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100016084084 [0,2,0,0,0,0|0,0,2]=4 1314 B13R1.541 NC(=O)[C@@H]1C[C@@H](CN1C(=O)CO)F 240690a_100020614896_100000210174 [0,2,0,0,0,0|1,0,0]=3 1315 B13R1.541 NC(=O)[C@@H]1C[C@@H](CN1C(=O)CO)F 527a_100020614896_100000210174 [0,2,0,0,0,0|1,0,0]=3 1316 B13R1.541 NC(=O)[C@@H]1C[C@H](CN1C(=O)CO)O 240690a_100020587027_100000210174 [0,2,0,0,0,0|1,0,0]=3 1317 B13R1.541 NC(=O)[C@@H]1C[C@H](CN1C(=O)CO)O 527a_100020587027_100000210174 [0,2,0,0,0,0|1,0,0]=3 1318 B13R1.553 C=CC(=O)N1CCC[C@H]1C(=O)NC 1626a_100015185040_100000185746 [0,2,0,0,0,0|1,0,1]=4 1319 B13R1.553 C=CC(=O)N1CCC[C@H]1C(=O)NC 240690a_100015185040_200121576911 [0,2,0,0,0,0|1,0,1]=4 1320 B13R1.553 C=CC(=O)N1CCC[C@H]1C(=O)OC 1626a_100000752040_100000185746 [0,2,0,0,0,0|0,0,1]=3 1321 B13R1.553 C=CC(=O)N1CCC[C@H]1C(=O)OC 240690a_100000752040_200121576911 [0,2,0,0,0,0|0,0,1]=3 1322 B13R1.553 C=CC(=O)N1CCSC1C(=O)OC 240690a_100015296106_200121576911 [0,2,0,0,0,0|1,0,1]=4 1323 B13R1.553 C=CC(=O)N1CSCC1C(=O)OC 240690a_200000724679_200121576911 [0,2,0,0,0,0|1,0,1]=4 1324 B13R1.553 C=CC(C)N1CCC[C@H]1C(=O)OC 269982a_100000752040_100011215867 [0,2,0,0,0,0|1,0,1]=4 1325 B13R1.553 CCC(=O)C1CCCN1C(=O)CC 1458a_200000194913_100000210202 [0,2,0,0,0,0|1,0,0]=3 1326 B13R1.553 CCC(=O)N1CCCC1C(=O)CF 1458a_200000194913_100015361967 [0,2,0,0,0,0|1,0,0]=3 1327 B13R1.553 CCC(=O)N1CCCC1C(=O)NC 11a_106832991635_200000194913 [0,2,0,0,0,0|1,0,0]=3 1328 B13R1.553 CCC(=O)N1CCCC1C(=O)NC 1626a_100102657272_200000194913 [0,2,0,0,0,0|1,0,0]=3 1329 B13R1.553 CCC(=O)N1CCCC1C(=O)NC 240690a_100102657272_200000194913 [0,2,0,0,0,0|1,0,0]=3 1330 B13R1.553 CCC(=O)N1CCCC1C(=O)NC 527a_100102657272_200000194913 [0,2,0,0,0,0|1,0,0]=3 1331 B13R1.553 CCC(=O)N1CCC[C@H]1C(=O)NC 11a_100015185040_100000210414 [0,2,0,0,0,0|1,0,0]=3 1332 B13R1.553 CCC(=O)N1CCC[C@H]1C(=O)NC 1626a_100015185040_100000210414 [0,2,0,0,0,0|1,0,0]=3 1333 B13R1.553 CCC(=O)N1CCC[C@H]1C(=O)NC 240690a_100015185040_100000210414 [0,2,0,0,0,0|1,0,0]=3 1334 B13R1.553 CCC(=O)N1CCC[C@H]1C(=O)NC 527a_100015185040_100000210414 [0,2,0,0,0,0|1,0,0]=3 1335 B13R1.553 CCC(=O)N1CCC[C@H]1C(=O)OC 11a_100000752040_100000210414 [0,2,0,0,0,0|0,0,0]=2 1336 B13R1.553 CCC(=O)N1CCC[C@H]1C(=O)OC 1626a_100000752040_100000210414 [0,2,0,0,0,0|0,0,0]=2 1337 B13R1.553 CCC(=O)N1CCC[C@H]1C(=O)OC 240690a_100000752040_100000210414 [0,2,0,0,0,0|0,0,0]=2 1338 B13R1.553 CCC(=O)N1CCC[C@H]1C(=O)OC 527a_100000752040_100000210414 [0,2,0,0,0,0|0,0,0]=2 1339 B13R1.553 CCC(=O)N1CCSC1C(=O)OC 11a_100015296106_100000210414 [0,2,0,0,0,0|1,0,0]=3 1340 B13R1.553 CCC(=O)N1CCSC1C(=O)OC 240690a_100015296106_100000210414 [0,2,0,0,0,0|1,0,0]=3 1341 B13R1.553 CCC(=O)N1CCSC1C(=O)OC 527a_100015296106_100000210414 [0,2,0,0,0,0|1,0,0]=3 1342 B13R1.553 CCC(=O)N1CSCC1C(=O)OC 11a_200000724679_100000210414 [0,2,0,0,0,0|1,0,0]=3 1343 B13R1.553 CCC(=O)N1CSCC1C(=O)OC 240690a_200000724679_100000210414 [0,2,0,0,0,0|1,0,0]=3 1344 B13R1.553 CCC(C)N1CCC[C@H]1C(=O)OC 2230a_100000752040_100000758301 [0,2,0,0,0,0|1,0,1]=4 1345 B13R1.553 CCC(C)N1CCC[C@H]1C(=O)OC 269982a_100000752040_100000758301 [0,2,0,0,0,0|1,0,1]=4 1346 B13R1.553 CNC(=O)N1CCC[C@H]1C(=O)OC 273464a_100102657272_100000752040 [0,2,0,0,0,0|0,0,0]=2 1347 B13R1.553 CNC(=O)N1CSCC1C(=O)OC 273464a_100102657272_200000724679 [0,2,0,0,0,0|1,0,0]=3 1348 B13R1.553 CNC(=O)[C@@H]1CCCN1C(=O)CO 240690a_100015185040_100000210174 [0,2,0,0,0,0|1,0,0]=3 1349 B13R1.553 CNC(=O)[C@@H]1CCCN1C(=O)CO 527a_100015185040_100000210174 [0,2,0,0,0,0|1,0,0]=3 1350 B13R1.553 CNC(=O)[C@@H]1CCCN1C(=O)NC 2708a_100102657272_100015185040 [0,2,0,0,0,0|1,0,0]=3 1351 B13R1.553 CNC(=O)[C@@H]1CCCN1C(=O)NC 273464a_100102657272_100015185040 [0,2,0,0,0,0|1,0,0]=3 1352 B13R1.553 COC(=O)C1CSCN1C(=O)CO 240690a_200000724679_100000210174 [0,2,0,0,0,0|1,0,0]=3 1353 B13R1.553 COC(=O)C1SCCN1C(=O)CO 240690a_100015296106_100000210174 [0,2,0,0,0,0|1,0,0]=3 1354 B13R1.553 COC(=O)C1SCCN1C(=O)CO 527a_100015296106_100000210174 [0,2,0,0,0,0|1,0,0]=3 1355 B13R1.553 COC(=O)[C@@H]1CCCN1C(=O)CO 240690a_100000752040_100000210174 [0,2,0,0,0,0|0,0,0]=2 1356 B13R1.553 COC(=O)[C@@H]1CCCN1C(=O)CO 527a_100000752040_100000210174 [0,2,0,0,0,0|0,0,0]=2 1357 B13R1.553 COC(=O)[C@@H]1CCCN1C(C)C#N 2230a_100000752040_100000184139 [0,2,0,0,0,0|1,0,1]=4 1358 B13R1.553 COC(=O)[C@@H]1CCCN1C(C)C#N 269982a_100000752040_100000703298 [0,2,0,0,0,0|1,0,1]=4 1359 B13R1.553 COC(=O)[C@@H]1CCCN1C(C)CO 2230a_100000752040_100012180447 [0,2,0,0,0,0|0,0,2]=4 1360 B13R1.553 COC(=O)[C@@H]1CCCN1C(C)OC 269982a_100000752040_100009879195 [0,2,0,0,0,0|0,0,2]=4 1361 B13R1.553 COC(=O)[C@@H]1CCCN1[C@H](C)CO 269982a_100000752040_100016084084 [0,2,0,0,0,0|0,0,2]=4 1362 B13R1.1824 CC(=O)N1CCC[C@]1(C)C(=O)CF 1458a_200009820353_100015361967 [0,2,0,0,0,0|1,0,0]=3 1363 B13R1.1824 CCC(=O)[C@]1(CCCN1C(=O)C)C 1458a_200009820353_100000210202 [0,2,0,0,0,0|1,0,0]=3 1364 B13R1.1824 CNC(=O)[C@]1(CCCN1C(=O)C)C 11a_106832991635_200009820353 [0,2,0,0,0,0|1,0,0]=3 1365 B13R1.1824 CNC(=O)[C@]1(CCCN1C(=O)C)C 1626a_100102657272_200009820353 [0,2,0,0,0,0|1,0,0]=3 1366 B13R1.1824 CNC(=O)[C@]1(CCCN1C(=O)C)C 240690a_100102657272_200009820353 [0,2,0,0,0,0|1,0,0]=3 1367 B13R1.1824 CNC(=O)[C@]1(CCCN1C(=O)C)C 527a_100102657272_200009820353 [0,2,0,0,0,0|1,0,0]=3 1368 B13R1.1824 COC(=O)[C@@]1(CCCN1C(=O)C)C 11a_100000719487_100015343762 [0,2,0,0,0,0|0,0,0]=2 1369 B13R1.1824 COC(=O)[C@@]1(CCCN1C(=O)C)C 240690a_100000719487_100015343762 [0,2,0,0,0,0|0,0,0]=2 1370 B13R1.1824 COC(=O)[C@@]1(CCCN1C(C)C)C 2230a_100000719487_100000210206 [0,2,0,0,0,0|1,0,1]=4 1371 B13R1.1824 COC(=O)[C@@]1(CCCN1C(C)C)C 269982a_100000719487_100000210206 [0,2,0,0,0,0|1,0,1]=4 1372 B13R1.1824 COC(=O)[C@@]1(CCCN1C(C)C)C 34a_100000719487_100000210206 [0,2,0,0,0,0|1,0,1]=4 1373 B13R1.1856 C#CC(C)N1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000035995 [0,2,0,0,0,0|1,0,1]=4 1374 B13R1.1856 C=CC(C)N1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100011215867 [0,2,0,0,0,0|1,0,1]=4 1375 B13R1.1856 CC(C#N)N1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000184139 [0,2,0,0,0,0|1,0,1]=4 1376 B13R1.1856 CCC(C)N1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000758301 [0,2,0,0,0,0|1,0,1]=4 1377 B13R1.1856 COC(C)N1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100009879195 [0,2,0,0,0,0|0,0,2]=4 1378 B13R1.1856 C[C@H](CO)N1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100016084084 [0,2,0,0,0,0|0,0,2]=4 1379 B13R1.1046 CC(=O)N1CC(C[C@H]1C(=O)N)(F)F 11a_100015192519_100015343762 [0,2,0,0,0,0|1,0,0]=3 1380 B13R1.1046 CC(=O)N1CC(C[C@H]1C(=O)N)(F)F 1626a_100015192519_100015343762 [0,2,0,0,0,0|1,0,0]=3 1381 B13R1.1046 CC(=O)N1CC(C[C@H]1C(=O)N)(F)F 527a_100015192519_100103153847 [0,2,0,0,0,0|1,0,0]=3 1382 B13R1.1046 CC(C)N1CC(C[C@H]1C(=O)O)(F)F 269956a_100016989020_100000210206 [0,2,0,0,0,0|1,0,1]=4 1383 B13R1.3112 CCC1(CCCN1C(C)C)C(=O)O 269956a_100000695297_100000210206 [0,2,0,0,0,0|1,0,1]=4 1384 B11R1.74 CC(=O)N1CC(OC(C1)C)C 11a_100000210032_100015343762 [0,0,1,1,0,0|1,0,1]=4 1385 B11R1.74 CC(=O)N1CC(OC(C1)C)C 1626a_100000210032_100015343762 [0,0,1,1,0,0|1,0,1]=4 1386 B11R1.74 CC(=O)N1CC(OC(C1)C)C 240690a_100000210032_100015343762 [0,0,1,1,0,0|1,0,1]=4 1387 B11R1.74 CC(=O)N1CC(OC(C1)C)C 527a_100000210032_100103153847 [0,0,1,1,0,0|1,0,1]=4 1388 B11R1.86 CC(=O)CN1CCOCC1=O 1458a_100000722046_200000210301 [0,0,1,1,0,0|2,0,0]=4 1389 B11R1.86 CC(=O)NC1CCCNC1=O 11a_100000747585_100015343762 [0,0,1,1,0,0|1,0,0]=3 1390 B11R1.86 CC(=O)NC1CCCNC1=O 1626a_100000747585_100015343762 [0,0,1,1,0,0|1,0,0]=3 1391 B11R1.86 CC(=O)NC1CCCNC1=O 240690a_100000747585_100015343762 [0,0,1,1,0,0|1,0,0]=3 1392 B11R1.86 CC(=O)NC1CCCNC1=O 527a_100000747585_100103153847 [0,0,1,1,0,0|1,0,0]=3 1393 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [0,0,1,1,0,0|1,0,1]=4 1394 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [0,0,1,1,0,0|1,0,1]=4 1395 B11R1.86 [13CH3]C(=O)CN1CCOCC1=O 1458a_100000722046_200025704644 [0,0,1,1,0,0|2,0,0]=4 1396 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 11a_100015977457_100015343762 [0,0,1,1,0,0|1,0,1]=4 1397 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 1626a_100015977457_100015343762 [0,0,1,1,0,0|1,0,1]=4 1398 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 240690a_100015977457_100015343762 [0,0,1,1,0,0|1,0,1]=4 1399 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 527a_100015977457_100103153847 [0,0,1,1,0,0|1,0,1]=4 1400 B11R1.497 CC(=O)N1CCCCC(C1)O 240690a_100025706797_100015343762 [0,0,1,1,0,0|1,0,1]=4 1401 B11R1.497 CC(=O)N1CCCNC(=O)C1 11a_100015190381_100015343762 [0,0,1,1,0,0|1,0,0]=3 1402 B11R1.497 CC(=O)N1CCCNC(=O)C1 1626a_100015190381_100015343762 [0,0,1,1,0,0|1,0,0]=3 1403 B11R1.497 CC(=O)N1CCCNC(=O)C1 240690a_100015190381_100015343762 [0,0,1,1,0,0|1,0,0]=3 1404 B11R1.497 CC(=O)N1CCCNC(=O)C1 527a_100015190381_100103153847 [0,0,1,1,0,0|1,0,0]=3 1405 B11R1.645 CC(=O)CN1C[C@H](CC1=O)O 1458a_100015189430_200000210301 [0,0,1,1,0,0|2,0,0]=4 1406 B11R1.645 CC(C)NC1CC(OC1=O)C 2230a_100138425928_200000216747 [0,0,1,1,0,0|1,0,1]=4 1407 B11R1.645 CC(C)NC1CC(OC1=O)C 34a_100138425928_200000216747 [0,0,1,1,0,0|1,0,1]=4 1408 B11R1.645 [13CH3]C(=O)CN1C[C@H](CC1=O)O 1458a_100015189430_200025704644 [0,0,1,1,0,0|2,0,0]=4 1409 B11R1.730 CC(=O)N1CCCC(C1)(C)O 11a_100000695535_100015343762 [0,0,1,1,0,0|1,0,1]=4 1410 B11R1.730 CC(=O)N1CCCC(C1)(C)O 240690a_100000695535_100015343762 [0,0,1,1,0,0|1,0,1]=4 1411 B11R1.730 CC(=O)N1CCCC(C1)(C)O 527a_100000695535_100103153847 [0,0,1,1,0,0|1,0,1]=4 1412 B11R1.806 CCC[C@H](NC1CC1)C(=O)O 269956a_100000750406_100000211595 [0,0,1,1,0,0|1,0,1]=4 1413 B11R1.929 CC(C)NC1(CCC1)C(=O)O 269956a_100000688724_100000210206 [0,0,1,1,0,0|1,0,1]=4 1414 B11R1.89 CC(=O)C(C)N1CCCC1=O 1458a_200011194792_200000210301 [0,0,1,1,0,0|1,0,0]=3 1415 B11R1.89 CC(C(=O)[13CH3])N1CCCC1=O 1458a_200011194792_200025704644 [0,0,1,1,0,0|1,0,0]=3 1416 B11R1.89 CC(C)N(C)C1CCOC1=O 269982a_200000211004_100000211211 [0,0,1,1,0,0|1,0,1]=4 1417 B11R1.159 CC(=O)N1CCNC(=O)C1C 11a_100000750721_100015343762 [0,0,1,1,0,0|1,0,0]=3 1418 B11R1.159 CC(=O)N1CCNC(=O)C1C 1626a_100000750721_100015343762 [0,0,1,1,0,0|1,0,0]=3 1419 B11R1.159 CC(=O)N1CCNC(=O)C1C 240690a_100000750721_100015343762 [0,0,1,1,0,0|1,0,0]=3 1420 B11R1.159 CC(=O)N1CCNC(=O)C1C 527a_100000750721_100103153847 [0,0,1,1,0,0|1,0,0]=3 1421 B11R1.159 CC1CCCC(N1C)C(=O)O 269956a_100000704260_200000210301 [0,0,1,1,0,0|1,0,1]=4 1422 B11R1.159 CC1CCCC(N1[13CH3])C(=O)O 269956a_100000704260_200025704644 [0,0,1,1,0,0|1,0,1]=4 1423 B11R1.75 CC(=O)NCC1CNC(=O)C1 11a_100016993742_100015343762 [0,0,1,1,0,0|2,0,0]=4 1424 B11R1.75 CC(=O)NCC1CNC(=O)C1 1626a_100016993742_100015343762 [0,0,1,1,0,0|2,0,0]=4 1425 B11R1.75 CC(=O)NCC1CNC(=O)C1 240690a_100016993742_100015343762 [0,0,1,1,0,0|2,0,0]=4 1426 B11R1.75 CC(=O)NCC1CNC(=O)C1 527a_100016993742_100103153847 [0,0,1,1,0,0|2,0,0]=4 1427 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 11a_100015423886_100015343762 [0,0,1,1,0,0|1,0,0]=3 1428 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 1626a_100015423886_100015343762 [0,0,1,1,0,0|1,0,0]=3 1429 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 240690a_100015423886_100015343762 [0,0,1,1,0,0|1,0,0]=3 1430 B11R1.75 CC(=O)NC[C@H]1CCC(=O)N1 527a_100015423886_100103153847 [0,0,1,1,0,0|1,0,0]=3 1431 B11R1.75 NC(=O)CCN1CNC(=O)C1 2230a_200000708111_100000744528 [0,0,1,1,0,0|2,0,0]=4 1432 B11R1.75 NC(=O)CNC1CNC(=O)C1 2230a_100000697751_100000747473 [0,0,1,1,0,0|2,0,0]=4 1433 B11R1.75 NC(=O)COC1CNC(=O)C1 34a_100000690082_100000187820 [0,0,1,1,0,0|2,0,0]=4 1434 B11R1.75 O=C([O-])COC1CNC(=O)C1 34a_100000690082_100020667443 [0,0,1,1,0,0|1,0,1]=4 1435 B11R1.154 O=C(O)CNCC1CC(=O)C1 269956a_100016091260_100009874392 [0,0,1,1,0,0|2,0,0]=4 1436 B11R1.157 CC(=O)CN1CCNC(=O)C1 1458a_100025771038_200000210301 [0,0,1,1,0,0|2,0,0]=4 1437 B11R1.157 CC(=O)NC1CCCC(C1)O 1626a_100015190357_100015343762 [0,0,1,1,0,0|1,0,1]=4 1438 B11R1.157 CC(=O)NC1CCCC(C1)O 240690a_100015190357_100015343762 [0,0,1,1,0,0|1,0,1]=4 1439 B11R1.157 CC(=O)NC1CCNC(=O)C1 11a_100016994916_100015343762 [0,0,1,1,0,0|2,0,0]=4 1440 B11R1.157 CC(=O)NC1CCNC(=O)C1 1626a_100016994916_100015343762 [0,0,1,1,0,0|2,0,0]=4 1441 B11R1.157 CC(=O)NC1CCNC(=O)C1 240690a_100016994916_100015343762 [0,0,1,1,0,0|2,0,0]=4 1442 B11R1.157 CC(=O)NC1CCNC(=O)C1 527a_100016994916_100103153847 [0,0,1,1,0,0|2,0,0]=4 1443 B11R1.157 NC(=O)CN1CCNC(=O)C1 2230a_100000184651_100000747473 [0,0,1,1,0,0|2,0,0]=4 1444 B11R1.157 [13CH3]C(=O)CN1CCNC(=O)C1 1458a_100025771038_200025704644 [0,0,1,1,0,0|2,0,0]=4 1445 B11R2.142 CC(=O)N1CCCC12CC2 11a_100020620911_100015343762 [1,0,0,1,0,0|1,0,1]=4 1446 B11R2.142 CC(=O)N1CCCC12CC2 1626a_100020620911_100015343762 [1,0,0,1,0,0|1,0,1]=4 1447 B11R2.142 CC(=O)N1CCCC12CC2 240690a_100020620911_100015343762 [1,0,0,1,0,0|1,0,1]=4 1448 B11R2.142 CC(=O)N1CCCC12CC2 527a_100020620911_100103153847 [1,0,0,1,0,0|1,0,1]=4 1449 B11R2.824 CC(=O)N1C2CCC1CC2 11a_100000735658_100015343762 [1,0,0,1,0,0|1,0,1]=4 1450 B11R2.824 CC(=O)N1C2CCC1CC2 1626a_100000735658_100015343762 [1,0,0,1,0,0|1,0,1]=4 1451 B11R2.824 CC(=O)N1C2CCC1CC2 240690a_100000735658_100015343762 [1,0,0,1,0,0|1,0,1]=4 1452 B11R2.824 CC(=O)N1C2CCC1CC2 527a_100000735658_100103153847 [1,0,0,1,0,0|1,0,1]=4 1453 B11R2.845 CC(=O)C1CC2C=CC1C2 1458a_100000211946_200000210301 [1,0,0,1,0,0|2,0,0]=4 1454 B11R2.845 CC(=O)N1CC2C=CC1C2 11a_100000732668_100015343762 [1,0,0,1,0,0|1,0,0]=3 1455 B11R2.845 CC(=O)N1CC2C=CC1C2 240690a_100000732668_100015343762 [1,0,0,1,0,0|1,0,0]=3 1456 B11R2.845 CC(=O)N1CC2C=CC1C2 527a_100000732668_100103153847 [1,0,0,1,0,0|1,0,0]=3 1457 B11R2.845 CC(=O)N1CC2CCC1C2 11a_100000743476_100015343762 [1,0,0,1,0,0|1,0,1]=4 1458 B11R2.845 CC(=O)N1CC2CCC1C2 1626a_100000743476_100015343762 [1,0,0,1,0,0|1,0,1]=4 1459 B11R2.845 CC(=O)N1CC2CCC1C2 240690a_100000743476_100015343762 [1,0,0,1,0,0|1,0,1]=4 1460 B11R2.845 CC(=O)N1CC2CCC1C2 527a_100000743476_100103153847 [1,0,0,1,0,0|1,0,1]=4 1461 B11R2.845 CC(=O)N1C[C@H]2C[C@@H]1CO2 11a_100016995552_100015343762 [1,0,0,1,0,0|0,0,1]=3 1462 B11R2.845 CC(=O)N1C[C@H]2C[C@@H]1CO2 1626a_100016995552_100015343762 [1,0,0,1,0,0|0,0,1]=3 1463 B11R2.845 CC(=O)N1C[C@H]2C[C@@H]1CO2 240690a_100016995552_100015343762 [1,0,0,1,0,0|0,0,1]=3 1464 B11R2.845 CC(=O)N1C[C@H]2C[C@@H]1CO2 527a_100016995552_100103153847 [1,0,0,1,0,0|0,0,1]=3 1465 B11R2.845 [13CH3]C(=O)C1CC2C=CC1C2 1458a_100000211946_200025704644 [1,0,0,1,0,0|2,0,0]=4 1466 B11R2.843 O=C(O)C1CCN1C2CC2 269956a_100000021838_100000211595 [0,0,0,1,1,0|1,0,1]=4 1467 B13R2.5514 O=C(O)C1CCSCN1C2CC2 269956a_100015185162_100000211595 [0,0,0,1,0,1|1,0,1]=4 1468 B13R2.5514 O=C(O)C1CSCCN1C2CC2 269956a_100011346106_100000211595 [0,0,0,1,0,1|1,0,1]=4 1469 B13R2.5514 O=C(O)[C@H]1CCCCN1C2CC2 269956a_100000763471_100000211595 [0,0,0,1,0,1|1,0,1]=4 1470 B13R2.5514 O=C(O)[C@H]1COCCN1C2CC2 269956a_100016993156_100000211595 [0,0,0,1,0,1|1,0,1]=4 1471 B13R2.4986 CC(=O)N1[C@@H]2CC[C@H]1C[C@H](C2)O 240690a_100103153168_100015343762 [0,0,0,1,0,1|1,0,1]=4 1472 B13R2.4986 CC(=O)N1[C@@H]2CC[C@H]1C[C@H](C2)O 527a_100103153168_100103153847 [0,0,0,1,0,1|1,0,1]=4 1473 B13R2.5574 O=C(O)[C@@H]1CCCN1CC2CC2 269956a_100000743916_100000742324 [0,0,0,1,0,1|1,0,1]=4 1474 B13R2.5574 O=C(O)[C@@H]1CCCN1CC2CO2 269956a_100000743916_102125554688 [0,0,0,1,0,1|0,0,2]=4 1475 B13R2.5574 O=C(O)[C@@H]1CCCN1CC2CS2 269956a_100000743916_100000031435 [0,0,0,1,0,1|0,1,1]=4 1476 B13R2.5574 O=C(O)[C@@H]1CCCN1C[C@@H]2CO2 269956a_100000743916_100000745022 [0,0,0,1,0,1|0,0,2]=4 1477 B13R2.1079 COC(=O)[C@@H]1CCCN1C2CC2 269982a_100000752040_100000211595 [0,1,0,1,0,0|1,0,1]=4 1478 B13R2.1155 CCC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_100000210202 [0,1,0,1,0,0|1,0,0]=3 1479 B13R2.1155 CCC(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_100000210202 [0,1,0,1,0,0|1,0,0]=3 1480 B13R2.1155 CNC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 11a_106832991635_200045396503 [0,1,0,1,0,0|1,0,0]=3 1481 B13R2.1155 CNC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1626a_100102657272_200045396503 [0,1,0,1,0,0|1,0,0]=3 1482 B13R2.1155 CNC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 240690a_100102657272_200045396503 [0,1,0,1,0,0|1,0,0]=3 1483 B13R2.1155 CNC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 527a_100102657272_200045396503 [0,1,0,1,0,0|1,0,0]=3 1484 B13R2.1155 CNC(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 240690a_100102657272_200121570381 [0,1,0,1,0,0|1,0,0]=3 1485 B13R2.1155 O=C(CF)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_100015361967 [0,1,0,1,0,0|1,0,0]=3 1486 B13R2.1155 O=C1O[C@H]2CC1[C@@H](C2)C(=O)CF 1458a_200045396503_100015361967 [0,1,0,1,0,0|1,0,0]=3 1487 B13R2.5602 O=C(O)[C@@H]1CCCN1C2CCC2 269956a_100000743916_100000749161 [0,1,0,1,0,0|1,0,1]=4 1488 B13R2.5602 O=C(O)[C@@H]1CCCN1C2COC2 269956a_100000743916_100009818527 [0,1,0,1,0,0|0,0,2]=4 1489 B13R2.3014 O=C(O)[C@@H]1C[C@@H](CN1C2CC2)F 269956a_100016993324_100000211595 [0,1,0,1,0,0|1,0,1]=4 1490 B13R2.3014 O=C(O)[C@@H]1C[C@@H](CN1C2CC2)O 269956a_100000750407_100000211595 [0,1,0,1,0,0|1,0,1]=4 1491 B13R2.13738 C[C@]1(CCCN1C2CC2)C(=O)O 269956a_100009816582_100000211595 [0,1,0,1,0,0|1,0,1]=4 1492 B9R0.33 CCSC(C(=O)C)C(=O)C 62a_100000210202_100000210371 [0,0,1,0,1,0|2,0,0]=4 1493 B9R0.33 CCSC(C(=O)C)C(=O)C 62a_100000210371_100000210202 [0,0,1,0,1,0|2,0,0]=4 1494 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [0,0,1,0,1,0|2,0,0]=4 1495 B9R0.55 CC(=O)CCCCB(O)O 1458a_100000070787_200009817182 [0,0,1,0,1,0|1,0,1]=4 1496 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,0,1,0,1,0|1,0,0]=3 1497 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [0,0,1,0,1,0|1,0,0]=3 1498 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [0,0,1,0,1,0|2,0,0]=4 1499 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [0,0,1,0,1,0|2,0,0]=4 1500 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,0,1,0,1,0|1,0,0]=3 1501 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [0,0,1,0,1,0|2,0,0]=4 1502 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [0,0,1,0,1,0|2,0,0]=4 1503 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [0,0,1,0,1,0|2,0,0]=4 1504 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [0,0,1,0,1,0|1,0,1]=4 1505 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [0,0,1,0,1,0|2,0,0]=4 1506 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [0,0,1,0,1,0|2,0,0]=4 1507 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [0,0,1,0,1,0|2,0,0]=4 1508 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [0,0,1,0,1,0|1,0,1]=4 1509 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [0,0,1,0,1,0|1,0,1]=4 1510 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [0,0,1,0,1,0|2,0,0]=4 1511 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [0,0,1,0,1,0|1,0,0]=3 1512 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [0,0,1,0,1,0|1,0,0]=3 1513 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [0,0,1,0,1,0|1,0,0]=3 1514 B9R0.55 CC(=O)NCCCS(=O)C 11a_200000753449_100015343762 [0,0,1,0,1,0|2,0,0]=4 1515 B9R0.55 CC(=O)NCCCS(=O)C 240690a_200000753449_100015343762 [0,0,1,0,1,0|2,0,0]=4 1516 B9R0.55 CC(=O)NCCCS(=O)C 527a_200000753449_100103153847 [0,0,1,0,1,0|2,0,0]=4 1517 B9R0.55 CC(=O)NCCNC(=O)C 240690a_100000209853_100015343762 [0,0,1,0,1,0|2,0,0]=4 1518 B9R0.55 CC(=O)NCCNC(=O)C 527a_100000209853_100103153847 [0,0,1,0,1,0|2,0,0]=4 1519 B9R0.55 CC(=O)NCCNC(=O)N 240690a_100020590234_100015343762 [0,0,1,0,1,0|2,0,0]=4 1520 B9R0.55 CC(=O)NCCNC(=O)N 527a_100020590234_100103153847 [0,0,1,0,1,0|2,0,0]=4 1521 B9R0.55 CC(=O)NCCOC(=O)C 11a_100000724843_100015343762 [0,0,1,0,1,0|2,0,0]=4 1522 B9R0.55 CC(=O)NCCOC(=O)C 240690a_100000724843_100015343762 [0,0,1,0,1,0|2,0,0]=4 1523 B9R0.55 CC(=O)NCCOC(=O)C 527a_100000724843_100103153847 [0,0,1,0,1,0|2,0,0]=4 1524 B9R0.55 CC(=O)NCCSC(=O)C 11a_100020647217_100015343762 [0,0,1,0,1,0|2,0,0]=4 1525 B9R0.55 CC(=O)NCCSC(=O)C 240690a_100020647217_100015343762 [0,0,1,0,1,0|2,0,0]=4 1526 B9R0.55 CC(=O)NCCSC(=O)C 527a_100020647217_100103153847 [0,0,1,0,1,0|2,0,0]=4 1527 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [0,0,1,0,1,0|2,0,0]=4 1528 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [0,0,1,0,1,0|2,0,0]=4 1529 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [0,0,1,0,1,0|2,0,0]=4 1530 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [1,0,0,0,1,0|0,0,1]=3 1531 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [1,0,0,0,1,0|1,0,1]=4 1532 B11R0.35 C=C(C)CN(CCO)CC(=O)O 269956a_100000747938_100000748629 [0,0,1,0,0,1|2,0,0]=4 1533 B11R0.35 CCCN(CC(=O)N)CC(=O)N 2230a_100000232323_100000210303 [0,0,1,0,0,1|2,0,0]=4 1534 B11R0.35 NC(=O)CN(CCO)CC(=O)O 269956a_100000747938_100000187820 [0,0,1,0,0,1|2,0,0]=4 1535 B11R0.35 O=C([O-])CN(CCO)CC(=O)O 269956a_100000747938_100020667443 [0,0,1,0,0,1|2,0,0]=4 1536 B11R0.146 C=C(C)CN[C@@H](CCC)C(=O)N 2230a_100000729256_100000748629 [0,0,1,0,0,1|2,0,0]=4 1537 B11R0.146 C=C(C)CN[C@@H](CCC)C(=O)N 34a_100000729256_100000748629 [0,0,1,0,0,1|2,0,0]=4 1538 B11R0.146 C=C(C)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000748629 [0,0,1,0,0,1|1,0,0]=3 1539 B11R0.146 C=C(C)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100000748629 [0,0,1,0,0,1|2,0,0]=4 1540 B11R0.146 C=C(C)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000748629 [0,0,1,0,0,1|2,0,0]=4 1541 B11R0.146 C=C(C)CN[C@H](COC)C(=O)O 269956a_100011998655_100000748629 [0,0,1,0,0,1|2,0,0]=4 1542 B11R0.146 C=C(F)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000042424 [0,0,1,0,0,1|1,0,1]=4 1543 B11R0.146 CCC[C@H](NCC(=O)N)C(=O)N 2230a_100000729256_100000747473 [0,0,1,0,0,1|2,0,0]=4 1544 B11R0.146 CCC[C@H](NCC(=O)N)C(=O)N 34a_100000729256_100000187820 [0,0,1,0,0,1|2,0,0]=4 1545 B11R0.146 CCC[C@H](NCC(=O)N)C(=O)O 269956a_100000750406_100000187820 [0,0,1,0,0,1|1,0,0]=3 1546 B11R0.146 CCC[C@H](NCC(=O)[O-])C(=O)N 34a_100000729256_100020667443 [0,0,1,0,0,1|2,0,0]=4 1547 B11R0.146 CCC[C@H](NCC(=O)[O-])C(=O)O 269956a_100000750406_100020667443 [0,0,1,0,0,1|1,0,0]=3 1548 B11R0.146 CCC[C@H](NCC(C)C)C(=O)O 269956a_100000750406_100000210760 [0,0,1,0,0,1|1,0,1]=4 1549 B11R0.146 CCC[C@H](NCC(C)O)C(=O)O 269956a_100000750406_100011218427 [0,0,1,0,0,1|0,0,2]=4 1550 B11R0.146 CCC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000750406_100009817552 [0,0,1,0,0,1|0,0,2]=4 1551 B11R0.146 CCC[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000750406_100000761209 [0,0,1,0,0,1|2,0,0]=4 1552 B11R0.146 COC[C@@H](NCC(=O)N)C(=O)O 269956a_100011998655_100000187820 [0,0,1,0,0,1|2,0,0]=4 1553 B11R0.146 COC[C@@H](NCC(=O)[O-])C(=O)O 269956a_100011998655_100020667443 [0,0,1,0,0,1|2,0,0]=4 1554 B11R0.146 CSC[C@H](NCC(=O)N)C(=O)O 269956a_100011421858_100000187820 [0,0,1,0,0,1|2,0,0]=4 1555 B11R0.146 CSC[C@H](NCC(=O)[O-])C(=O)O 269956a_100011421858_100020667443 [0,0,1,0,0,1|2,0,0]=4 1556 B11R0.146 C[Se]C[C@H](NCC(=O)N)C(=O)O 269956a_100015254316_100000187820 [0,0,1,0,0,1|2,0,0]=4 1557 B11R0.146 C[Se]C[C@H](NCC(=O)[O-])C(=O)O 269956a_100015254316_100020667443 [0,0,1,0,0,1|2,0,0]=4 1558 B11R0.144 C=C(C)CN(CC)C(C)C(=O)C 2230a_100000211296_100009814033 [0,0,1,0,0,1|2,0,0]=4 1559 B11R0.144 C=C(C)CN(CC)C(C)C(=O)C 269982a_100000211296_100009814033 [0,0,1,0,0,1|2,0,0]=4 1560 B11R0.144 C=C(C)CN(CC)C(C)C(=O)N 2230a_100000211296_100000702099 [0,0,1,0,0,1|2,0,0]=4 1561 B11R0.144 C=C(C)CN(CC)C(C)C(=O)N 2230a_100020603310_100000748629 [0,0,1,0,0,1|2,0,0]=4 1562 B11R0.144 C=C(C)CN(CC)C(C)C(=O)N 269982a_100000211296_100000184083 [0,0,1,0,0,1|2,0,0]=4 1563 B11R0.144 C=C(C)CN(CC)C(C)C(=O)N 269982a_100020603310_100000748629 [0,0,1,0,0,1|2,0,0]=4 1564 B11R0.144 CCN(CC(=O)N)C(C)C(=O)N 2230a_100020603310_100000747473 [0,0,1,0,0,1|2,0,0]=4 1565 B11R0.144 CCN(CC(=O)N)C(C)C(=O)N 269982a_100020603310_100000187820 [0,0,1,0,0,1|2,0,0]=4 1566 B11R0.144 CCN(CC(=O)O)C(C)C(=O)C 269956a_100000746405_100009814033 [0,0,1,0,0,1|2,0,0]=4 1567 B11R0.144 CCN(CC(=O)[O-])C(C)C(=O)N 269982a_100020603310_100020667443 [0,0,1,0,0,1|2,0,0]=4 1568 B11R0.275 CC(=O)C(C)NC(CO)C(=O)O 269956a_100000187304_100009814033 [0,0,1,0,0,1|2,0,0]=4 1569 B11R0.275 CCC(NC(C)C(=O)C)C(=O)N 2230a_100000733705_100009814033 [0,0,1,0,0,1|2,0,0]=4 1570 B11R0.275 CCC(N[C@@H](C)C(=O)O)C(=O)N 269956a_100000743915_200011216081 [0,0,1,0,0,1|2,0,0]=4 1571 B11R0.275 CCC(OC(C)C(=O)C)C(=O)N 34a_100000212229_100000750255 [0,0,1,0,0,1|2,0,0]=4 1572 B11R0.275 CCC(SC(C)C(=O)C)C(=O)N 62a_100000750255_100009814033 [0,0,1,0,0,1|2,0,0]=4 1573 B11R0.275 CCC(SC(C)C(=O)C)C(=O)N 62a_100009814033_100000750255 [0,0,1,0,0,1|2,0,0]=4 1574 B11R0.275 CC[C@@H](NC(C)C(=O)C)C(=O)O 269956a_100000747097_100009814033 [0,0,1,0,0,1|1,0,0]=3 1575 B11R0.282 C=C(C)CN(C)C(CC)C(=O)N 2230a_100000225649_100000750255 [0,0,1,0,0,1|2,0,0]=4 1576 B11R0.282 C=C(C)CN(C)C(CC)C(=O)N 269982a_100000225649_100000750255 [0,0,1,0,0,1|2,0,0]=4 1577 B11R0.282 C=C(C)CN(C)[C@@H](CC)C(=O)N 2230a_103436537554_100000748629 [0,0,1,0,0,1|2,0,0]=4 1578 B11R0.282 C=C(C)CN(C)[C@@H](CC)C(=O)N 269982a_103436537554_100000748629 [0,0,1,0,0,1|2,0,0]=4 1579 B11R0.282 C=C(C)CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000748629 [0,0,1,0,0,1|2,0,0]=4 1580 B11R0.282 CCC(C(=O)N)N(C)CC(=O)N 2230a_100000739694_100000750255 [0,0,1,0,0,1|2,0,0]=4 1581 B11R0.282 CCC(C(=O)N)N(C)CC(=O)O 269956a_100000746989_200011216081 [0,0,1,0,0,1|2,0,0]=4 1582 B11R0.282 CC[C@@H](C(=O)N)N(C)CC(=O)N 2230a_103436537554_100000747473 [0,0,1,0,0,1|2,0,0]=4 1583 B11R0.282 CC[C@@H](C(=O)N)N(C)CC(=O)N 269982a_103436537554_100000187820 [0,0,1,0,0,1|2,0,0]=4 1584 B11R0.282 CC[C@@H](C(=O)N)N(C)CC(=O)[O-] 269982a_103436537554_100020667443 [0,0,1,0,0,1|2,0,0]=4 1585 B11R0.282 CN(CC(=O)N)[C@@H](CO)C(=O)O 269956a_100015362447_100000187820 [0,0,1,0,0,1|2,0,0]=4 1586 B11R0.282 CN(CC(=O)[O-])[C@@H](CO)C(=O)O 269956a_100015362447_100020667443 [0,0,1,0,0,1|2,0,0]=4 1587 B11R0.30 C=C(C)CCNCCNC(=O)C 2230a_100000209853_100000730704 [0,0,1,0,0,1|2,0,0]=4 1588 B11R0.30 C=C(C)CCOCCNC(=O)C 34a_100000158858_100000730704 [0,0,1,0,0,1|2,0,0]=4 1589 B11R0.30 C=C(C)CCSCCNC(=O)C 62a_100000189650_100000730704 [0,0,1,0,0,1|2,0,0]=4 1590 B11R0.30 C=C(C)CCSCCNC(=O)C 62a_100000730704_100000189650 [0,0,1,0,0,1|2,0,0]=4 1591 B11R0.30 C=C(C)CNCCCCC(=O)N 34a_100000696515_100000748629 [0,0,1,0,0,1|2,0,0]=4 1592 B11R0.30 C=C(C)CNCCCNC(=O)C 34a_100000736810_100000748629 [0,0,1,0,0,1|2,0,0]=4 1593 B11R0.30 C=C(C)CNCCOCC(=O)O 269956a_100000700818_100000748629 [0,0,1,0,0,1|2,0,0]=4 1594 B11R0.30 C=C(C)COCCCNC(=O)C 34a_100000752032_100000748629 [0,0,1,0,0,1|2,0,0]=4 1595 B11R0.30 C=C(F)CNCCCNC(=O)C 34a_100000736810_100009893438 [0,0,1,0,0,1|2,0,0]=4 1596 B11R0.30 C=C(F)COCCCNC(=O)C 34a_100000752032_100009893438 [0,0,1,0,0,1|2,0,0]=4 1597 B11R0.30 CC(=O)CCCCCNC(=O)C 1458a_100000183861_200000210301 [0,0,1,0,0,1|1,0,0]=3 1598 B11R0.30 CC(=O)CCCCCOC(=O)C 1458a_100000070787_100000033007 [0,0,1,0,0,1|2,0,0]=4 1599 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [0,0,1,0,0,1|1,0,0]=3 1600 B11R0.30 CC(=O)CCCCOCC(=O)C 34a_100000211253_100009817362 [0,0,1,0,0,1|2,0,0]=4 1601 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000735457_100000747473 [0,0,1,0,0,1|2,0,0]=4 1602 B11R0.30 CC(=O)CCCCSCC(=O)N 62a_100000747473_100000735457 [0,0,1,0,0,1|2,0,0]=4 1603 B11R0.30 CC(=O)CCCCSCC(=O)[O-] 62a_100000735457_100020667443 [0,0,1,0,0,1|1,0,1]=4 1604 B11R0.30 CC(=O)CCCCSCC(=O)[O-] 62a_100020667443_100000735457 [0,0,1,0,0,1|1,0,1]=4 1605 B11R0.30 CC(=O)CCCNOCC(=O)O 269956a_100000106656_100011215641 [0,0,1,0,0,1|2,0,0]=4 1606 B11R0.30 CC(=O)CCCOCCC(=O)C 34a_100000759926_100000685027 [0,0,1,0,0,1|2,0,0]=4 1607 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759063_100000053229 [0,0,1,0,0,1|2,0,0]=4 1608 B11R0.30 CC(=O)CCCOCCC(=O)C 7a_100000759926_100011215641 [0,0,1,0,0,1|2,0,0]=4 1609 B11R0.30 CC(=O)CCCOCCC(=O)N 34a_100000757172_100000685027 [0,0,1,0,0,1|2,0,0]=4 1610 B11R0.30 CC(=O)CCCOCCC(=O)N 34a_100000759063_100000731001 [0,0,1,0,0,1|2,0,0]=4 1611 B11R0.30 CC(=O)CCCOCCC(=O)N 7a_100000757172_100011215641 [0,0,1,0,0,1|2,0,0]=4 1612 B11R0.30 CC(=O)CCCOCCC(=O)N 7a_100000759063_100000744528 [0,0,1,0,0,1|2,0,0]=4 1613 B11R0.30 CC(=O)CCCOCOC(=O)C 34a_100000759063_100009813279 [0,0,1,0,0,1|2,0,0]=4 1614 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100000053229_100011215641 [0,0,1,0,0,1|2,0,0]=4 1615 B11R0.30 CC(=O)CCCSCCC(=O)C 62a_100011215641_100000053229 [0,0,1,0,0,1|2,0,0]=4 1616 B11R0.30 CC(=O)CCCSCCC(=O)N 62a_100000744528_100011215641 [0,0,1,0,0,1|2,0,0]=4 1617 B11R0.30 CC(=O)CCCSCCC(=O)N 62a_100011215641_100000744528 [0,0,1,0,0,1|2,0,0]=4 1618 B11R0.30 CC(=O)CCCSCOC(=O)C 62a_100000076356_100011215641 [0,0,1,0,0,1|2,0,0]=4 1619 B11R0.30 CC(=O)CCCSCOC(=O)C 62a_100011215641_100000076356 [0,0,1,0,0,1|2,0,0]=4 1620 B11R0.30 CC(=O)CCOCCCC(=O)N 34a_100000759926_100102525003 [0,0,1,0,0,1|2,0,0]=4 1621 B11R0.30 CC(=O)CCOCCCC(=O)N 7a_100000759926_100102525003 [0,0,1,0,0,1|2,0,0]=4 1622 B11R0.30 CC(=O)CCOCCNC(=O)C 7a_100000759926_100000189650 [0,0,1,0,0,1|1,0,0]=3 1623 B11R0.30 CC(=O)CCOCCNC(=O)N 7a_100000759926_200000034859 [0,0,1,0,0,1|2,0,0]=4 1624 B11R0.30 CC(=O)CCOCCOC(=O)C 1458a_100000070787_200000083610 [0,0,1,0,0,1|2,0,0]=4 1625 B11R0.30 CC(=O)CCOCCOC(=O)C 34a_100000759926_100009814007 [0,0,1,0,0,1|2,0,0]=4 1626 B11R0.30 CC(=O)CCOCCOC(=O)C 7a_100000759926_100009814007 [0,0,1,0,0,1|2,0,0]=4 1627 B11R0.30 CC(=O)CCSCCCC(=O)N 62a_100000053229_100102525003 [0,0,1,0,0,1|2,0,0]=4 1628 B11R0.30 CC(=O)CCSCCCC(=O)N 62a_100102525003_100000053229 [0,0,1,0,0,1|2,0,0]=4 1629 B11R0.30 CC(=O)CCSCCNC(=O)C 62a_100000053229_100000189650 [0,0,1,0,0,1|1,0,0]=3 1630 B11R0.30 CC(=O)CCSCCNC(=O)C 62a_100000189650_100000053229 [0,0,1,0,0,1|1,0,0]=3 1631 B11R0.30 CC(=O)CCSCCNC(=O)N 62a_100000053229_200000034859 [0,0,1,0,0,1|2,0,0]=4 1632 B11R0.30 CC(=O)CCSCCNC(=O)N 62a_200000034859_100000053229 [0,0,1,0,0,1|2,0,0]=4 1633 B11R0.30 CC(=O)CCSCCOC(=O)C 62a_100000053229_100009814007 [0,0,1,0,0,1|2,0,0]=4 1634 B11R0.30 CC(=O)CCSCCOC(=O)C 62a_100009814007_100000053229 [0,0,1,0,0,1|2,0,0]=4 1635 B11R0.30 CC(=O)COCCCOC(=O)C 34a_100000211253_100000042594 [0,0,1,0,0,1|2,0,0]=4 1636 B11R0.30 CC(=O)COCCCSC(=O)C 34a_100000211253_100000038929 [0,0,1,0,0,1|2,0,0]=4 1637 B11R0.30 CC(=O)NCCCCCC(=O)[13CH3] 1458a_100000183861_200025704644 [0,0,1,0,0,1|1,0,0]=3 1638 B11R0.30 CC(=O)NCCCCNC(=O)C 11a_200011368371_100015343762 [0,0,1,0,0,1|1,0,0]=3 1639 B11R0.30 CC(=O)NCCCCNC(=O)C 1626a_200011368371_100015343762 [0,0,1,0,0,1|1,0,0]=3 1640 B11R0.30 CC(=O)NCCCCNC(=O)C 240690a_200011368371_100015343762 [0,0,1,0,0,1|1,0,0]=3 1641 B11R0.30 CC(=O)NCCCCNC(=O)C 527a_200011368371_100103153847 [0,0,1,0,0,1|1,0,0]=3 1642 B11R0.30 CC(=O)NCCCNCC(=O)N 34a_100000736810_100000187820 [0,0,1,0,0,1|1,0,0]=3 1643 B11R0.30 CC(=O)NCCCNCC(=O)[O-] 34a_100000736810_100020667443 [0,0,1,0,0,1|0,0,1]=3 1644 B11R0.30 CC(=O)NCCCNCC(C)O 34a_100000736810_100011218427 [0,0,1,0,0,1|1,0,1]=4 1645 B11R0.30 CC(=O)NCCCNC[C@@H](C)O 34a_100000736810_100009817552 [0,0,1,0,0,1|1,0,1]=4 1646 B11R0.30 CC(=O)NCCCNC[N+](=O)[O-] 34a_100000736810_100000761209 [0,0,1,0,0,1|1,0,1]=4 1647 B11R0.30 CC(=O)NCCCOCC(=O)N 34a_100000752032_100000187820 [0,0,1,0,0,1|1,0,0]=3 1648 B11R0.30 CC(=O)NCCCOCC(=O)[O-] 34a_100000752032_100020667443 [0,0,1,0,0,1|0,0,1]=3 1649 B11R0.30 CC(=O)NCCCOCC(C)O 34a_100000752032_100011218427 [0,0,1,0,0,1|1,0,1]=4 1650 B11R0.30 CC(=O)NCCCOC[C@@H](C)O 34a_100000752032_100009817552 [0,0,1,0,0,1|1,0,1]=4 1651 B11R0.30 CC(=O)NCCCOC[N+](=O)[O-] 34a_100000752032_100000761209 [0,0,1,0,0,1|1,0,1]=4 1652 B11R0.30 CC(=O)NCCNCCC(=O)N 2230a_100000209853_100000744528 [0,0,1,0,0,1|1,0,0]=3 1653 B11R0.30 CC(=O)NCCNCCC(C)O 2230a_100000209853_100012276601 [0,0,1,0,0,1|1,0,1]=4 1654 B11R0.30 CC(=O)NCCNCCC(C)O 2230a_200000755665_100000189650 [0,0,1,0,0,1|1,0,1]=4 1655 B11R0.30 CC(=O)NCCNOCC(=O)O 269956a_100000106656_100000189650 [0,0,1,0,0,1|1,0,0]=3 1656 B11R0.30 CC(=O)NCCOCCC(=O)N 34a_100000158858_100000731001 [0,0,1,0,0,1|1,0,0]=3 1657 B11R0.30 CC(=O)NCCOCCC(=O)N 7a_100000757172_100000189650 [0,0,1,0,0,1|1,0,0]=3 1658 B11R0.30 CC(=O)NCCOCCC(C)O 34a_100000158858_100012276601 [0,0,1,0,0,1|1,0,1]=4 1659 B11R0.30 CC(=O)NCCOCOC(=O)C 34a_100000158858_100009813279 [0,0,1,0,0,1|2,0,0]=4 1660 B11R0.30 CC(=O)NCCSCCC(=O)N 62a_100000189650_100000744528 [0,0,1,0,0,1|1,0,0]=3 1661 B11R0.30 CC(=O)NCCSCCC(=O)N 62a_100000744528_100000189650 [0,0,1,0,0,1|1,0,0]=3 1662 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100000189650_100012276601 [0,0,1,0,0,1|1,0,1]=4 1663 B11R0.30 CC(=O)NCCSCCC(C)O 62a_100012276601_100000189650 [0,0,1,0,0,1|1,0,1]=4 1664 B11R0.30 CC(=O)NCCSCOC(=O)C 62a_100000076356_100000189650 [0,0,1,0,0,1|2,0,0]=4 1665 B11R0.30 CC(=O)NCCSCOC(=O)C 62a_100000189650_100000076356 [0,0,1,0,0,1|2,0,0]=4 1666 B11R0.30 CC(=O)OCCCNCC(=O)O 269956a_100016091260_100000042594 [0,0,1,0,0,1|1,0,0]=3 1667 B11R0.30 CC(=O)OCCCSCC(=O)N 62a_100000042594_100000747473 [0,0,1,0,0,1|2,0,0]=4 1668 B11R0.30 CC(=O)OCCCSCC(=O)N 62a_100000747473_100000042594 [0,0,1,0,0,1|2,0,0]=4 1669 B11R0.30 CC(=O)OCCCSCC(=O)[O-] 62a_100000042594_100020667443 [0,0,1,0,0,1|1,0,1]=4 1670 B11R0.30 CC(=O)OCCCSCC(=O)[O-] 62a_100020667443_100000042594 [0,0,1,0,0,1|1,0,1]=4 1671 B11R0.30 CC(=O)OCCNOCC(=O)O 269956a_100000106656_100009814007 [0,0,1,0,0,1|2,0,0]=4 1672 B11R0.30 CC(=O)OCCOCCC(=O)N 34a_100000757172_100009814007 [0,0,1,0,0,1|2,0,0]=4 1673 B11R0.30 CC(=O)OCCOCCC(=O)N 7a_100000757172_100009814007 [0,0,1,0,0,1|2,0,0]=4 1674 B11R0.30 CC(=O)OCCSCCC(=O)N 62a_100000744528_100009814007 [0,0,1,0,0,1|2,0,0]=4 1675 B11R0.30 CC(=O)OCCSCCC(=O)N 62a_100009814007_100000744528 [0,0,1,0,0,1|2,0,0]=4 1676 B11R0.30 CC(=O)OCNCCCC(=O)N 34a_100000739312_100009813279 [0,0,1,0,0,1|2,0,0]=4 1677 B11R0.30 CC(=O)OCSCCCC(=O)N 62a_100000076356_100102525003 [0,0,1,0,0,1|2,0,0]=4 1678 B11R0.30 CC(=O)OCSCCCC(=O)N 62a_100102525003_100000076356 [0,0,1,0,0,1|2,0,0]=4 1679 B11R0.30 CC(=O)SCCCNCC(=O)N 2230a_100000711301_100000038929 [0,0,1,0,0,1|2,0,0]=4 1680 B11R0.30 CC(=O)SCCCNCC(=O)O 269956a_100016091260_100000038929 [0,0,1,0,0,1|1,0,0]=3 1681 B11R0.30 CC(=O)SCCCSCC(=O)N 62a_100000038929_100000747473 [0,0,1,0,0,1|2,0,0]=4 1682 B11R0.30 CC(=O)SCCCSCC(=O)N 62a_100000747473_100000038929 [0,0,1,0,0,1|2,0,0]=4 1683 B11R0.30 CC(=O)SCCCSCC(=O)[O-] 62a_100000038929_100020667443 [0,0,1,0,0,1|1,0,1]=4 1684 B11R0.30 CC(=O)SCCCSCC(=O)[O-] 62a_100020667443_100000038929 [0,0,1,0,0,1|1,0,1]=4 1685 B11R0.30 CC(=S)OCCCNCC(=O)O 269956a_100016091260_200135323944 [0,0,1,0,0,1|1,1,0]=4 1686 B11R0.30 NC(=O)CCCCNCC(=O)N 34a_100000696515_100000187820 [0,0,1,0,0,1|2,0,0]=4 1687 B11R0.30 NC(=O)CCCCNCC(=O)[O-] 34a_100000696515_100020667443 [0,0,1,0,0,1|2,0,0]=4 1688 B11R0.30 NC(=O)CCNCCNC(=O)N 34a_100020590234_100000731001 [0,0,1,0,0,1|2,0,0]=4 1689 B11R0.30 NC(=O)CCOCCNC(=O)N 34a_100000181757_100000731001 [0,0,1,0,0,1|2,0,0]=4 1690 B11R0.30 NC(=O)CCOCCNC(=O)N 7a_100000757172_200000034859 [0,0,1,0,0,1|2,0,0]=4 1691 B11R0.30 NC(=O)CCSCCNC(=O)N 62a_100000744528_200000034859 [0,0,1,0,0,1|2,0,0]=4 1692 B11R0.30 NC(=O)CCSCCNC(=O)N 62a_200000034859_100000744528 [0,0,1,0,0,1|2,0,0]=4 1693 B11R0.30 NC(=O)CNCCOCC(=O)O 269956a_100000700818_100000187820 [0,0,1,0,0,1|2,0,0]=4 1694 B11R0.30 NC(=O)NCCNOCC(=O)O 269956a_100000106656_200000034859 [0,0,1,0,0,1|2,0,0]=4 1695 B11R0.30 O=C([O-])CNCCOCC(=O)O 269956a_100000700818_100020667443 [0,0,1,0,0,1|2,0,0]=4 1696 B11R1.53 C#CC1CCCCN1C(=O)C 11a_200020621307_100015343762 [1,0,0,0,0,1|1,0,1]=4 1697 B11R1.53 C#CC1CCCCN1C(=O)C 1626a_200020621307_100015343762 [1,0,0,0,0,1|1,0,1]=4 1698 B11R1.53 C#CC1CCCCN1C(=O)C 240690a_200020621307_100015343762 [1,0,0,0,0,1|1,0,1]=4 1699 B11R1.53 C#CC1CCCCN1C(=O)C 527a_200020621307_100103153847 [1,0,0,0,0,1|1,0,1]=4 1700 B11R1.53 CC(=O)N1CCCCC1C#N 11a_100016989756_100015343762 [1,0,0,0,0,1|1,0,1]=4 1701 B11R1.53 CC(=O)N1CCCCC1C#N 1626a_100016989756_100015343762 [1,0,0,0,0,1|1,0,1]=4 1702 B11R1.53 CC(=O)N1CCCCC1C#N 240690a_100016989756_100015343762 [1,0,0,0,0,1|1,0,1]=4 1703 B11R1.53 CC(=O)N1CCCCC1CO 240690a_100000210821_100015343762 [1,0,0,0,0,1|0,0,1]=3 1704 B11R1.53 CC(=O)N1CCOC[C@H]1CO 240690a_100000717676_100015343762 [1,0,0,0,0,1|0,0,1]=3 1705 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [1,0,0,0,0,1|1,0,1]=4 1706 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [1,0,0,0,0,1|1,0,1]=4 1707 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [1,0,0,0,0,1|1,0,1]=4 1708 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [1,0,0,0,0,1|1,0,1]=4 1709 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [1,0,0,0,0,1|1,0,1]=4 1710 B11R1.53 CCN1CCCCC1C(=O)N 2230a_100000181395_100000210202 [1,0,0,0,0,1|1,0,1]=4 1711 B11R1.53 CCN1CCCCC1C(=O)N 269982a_100000181395_100000204670 [1,0,0,0,0,1|1,0,1]=4 1712 B11R1.53 CCN1CCCCC1C(=O)N 34a_100000181395_100000210202 [1,0,0,0,0,1|1,0,1]=4 1713 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [1,0,0,0,0,1|1,0,1]=4 1714 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [1,0,0,0,0,1|0,0,1]=3 1715 B11R1.53 CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210202 [1,0,0,0,0,1|0,0,1]=3 1716 B11R1.53 CCN1CCSCC1C(=O)O 269956a_100011346106_100000210202 [1,0,0,0,0,1|0,0,1]=3 1717 B11R1.53 CCN1CSCCC1C(=O)O 269956a_100015185162_100000210202 [1,0,0,0,0,1|0,0,1]=3 1718 B11R1.53 CC[C@H]1COCCN1C(=O)C 11a_100016988097_100015343762 [1,0,0,0,0,1|1,0,1]=4 1719 B11R1.53 CC[C@H]1COCCN1C(=O)C 1626a_100016988097_100015343762 [1,0,0,0,0,1|1,0,1]=4 1720 B11R1.53 CC[C@H]1COCCN1C(=O)C 240690a_100016988097_100015343762 [1,0,0,0,0,1|1,0,1]=4 1721 B11R1.53 CC[C@H]1COCCN1C(=O)C 527a_100016988097_100103153847 [1,0,0,0,0,1|1,0,1]=4 1722 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [1,0,0,0,0,1|2,0,0]=4 1723 B11R1.53 O=C(O)C1CCSCN1CF 269956a_100015185162_100015361967 [1,0,0,0,0,1|1,0,1]=4 1724 B11R1.53 O=C(O)C1CSCCN1CF 269956a_100011346106_100015361967 [1,0,0,0,0,1|1,0,1]=4 1725 B11R1.53 O=C(O)[C@H]1CCCCN1CF 269956a_100000763471_100015361967 [1,0,0,0,0,1|1,0,1]=4 1726 B11R1.53 O=C(O)[C@H]1COCCN1CF 269956a_100016993156_100015361967 [1,0,0,0,0,1|1,0,1]=4 1727 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [1,0,0,0,0,1|2,0,0]=4 1728 B11R1.57 C=C(C)CN1CCC[C@@H]1CO 2230a_100000745186_100000748629 [1,0,0,0,0,1|1,0,1]=4 1729 B11R1.57 C=C(C)CN1CCC[C@@H]1CO 269982a_100000745186_100000748629 [1,0,0,0,0,1|1,0,1]=4 1730 B11R1.57 C=C(C)CN1CCC[C@@H]1CO 34a_100000745186_100000748629 [1,0,0,0,0,1|1,0,1]=4 1731 B11R1.57 NC(=O)CN1CCC[C@@H]1CO 2230a_100000745186_100000747473 [1,0,0,0,0,1|1,0,1]=4 1732 B11R1.57 NC(=O)CN1CCC[C@@H]1CO 269982a_100000745186_100000187820 [1,0,0,0,0,1|1,0,1]=4 1733 B11R1.57 NC(=O)CN1CCC[C@@H]1CO 34a_100000745186_100000187820 [1,0,0,0,0,1|1,0,1]=4 1734 B11R1.57 O=C([O-])CN1CCC[C@@H]1CO 269982a_100000745186_100020667443 [1,0,0,0,0,1|1,0,1]=4 1735 B11R1.57 O=C([O-])CN1CCC[C@@H]1CO 34a_100000745186_100020667443 [1,0,0,0,0,1|1,0,1]=4 1736 B11R1.266 C#CC1CCCN(C1)C(=O)C 11a_100015191679_100015343762 [1,0,0,0,0,1|1,0,1]=4 1737 B11R1.266 C#CC1CCCN(C1)C(=O)C 1626a_100015191679_100015343762 [1,0,0,0,0,1|1,0,1]=4 1738 B11R1.266 C#CC1CCCN(C1)C(=O)C 240690a_100015191679_100015343762 [1,0,0,0,0,1|1,0,1]=4 1739 B11R1.266 C#CC1CCCN(C1)C(=O)C 527a_100015191679_100103153847 [1,0,0,0,0,1|1,0,1]=4 1740 B11R1.266 CC(=O)N1CCCC(C1)C#N 11a_100016989302_100015343762 [1,0,0,0,0,1|1,0,1]=4 1741 B11R1.266 CC(=O)N1CCCC(C1)C#N 1626a_100016989302_100015343762 [1,0,0,0,0,1|1,0,1]=4 1742 B11R1.266 CC(=O)N1CCCC(C1)C#N 240690a_100016989302_100015343762 [1,0,0,0,0,1|1,0,1]=4 1743 B11R1.266 CC(=O)N1CCCC(C1)C#N 527a_100016989302_100103153847 [1,0,0,0,0,1|1,0,1]=4 1744 B11R1.266 CC(=O)N1CCCC(C1)CF 11a_100016992999_100015343762 [1,0,0,0,0,1|1,0,1]=4 1745 B11R1.266 CC(=O)N1CCCC(C1)CF 1626a_100016992999_100015343762 [1,0,0,0,0,1|1,0,1]=4 1746 B11R1.266 CC(=O)N1CCCC(C1)CF 240690a_100016992999_100015343762 [1,0,0,0,0,1|1,0,1]=4 1747 B11R1.266 CC(=O)N1CCCC(C1)CF 527a_100016992999_100103153847 [1,0,0,0,0,1|1,0,1]=4 1748 B11R1.266 CC(=O)N1CCCC(C1)CO 240690a_100000211344_100015343762 [1,0,0,0,0,1|0,0,1]=3 1749 B11R1.266 CC(=O)N1CCCC(C1)CO 527a_100000211344_100103153847 [1,0,0,0,0,1|0,0,1]=3 1750 B11R1.266 CC(=O)N1CCCC(C1)O[13CH3] 7a_200011196156_200025704644 [1,0,0,0,0,1|2,0,0]=4 1751 B11R1.266 CC(=O)N1CCO[C@@H](C1)CO 240690a_100015189573_100015343762 [1,0,0,0,0,1|1,0,1]=4 1752 B11R1.266 CC(=O)N1CCO[C@@H](C1)CO 527a_100015189573_100103153847 [1,0,0,0,0,1|1,0,1]=4 1753 B11R1.266 CCN1CCCC(C1)C(=O)C 1458a_100000743261_200000210301 [1,0,0,0,0,1|1,0,1]=4 1754 B11R1.266 CCN1CCCC(C1)C(=O)N 2230a_100000195536_100000210202 [1,0,0,0,0,1|1,0,1]=4 1755 B11R1.266 CCN1CCCC(C1)C(=O)N 269982a_100000195536_100000204670 [1,0,0,0,0,1|1,0,1]=4 1756 B11R1.266 CCN1CCCC(C1)C(=O)N 34a_100000195536_100000210202 [1,0,0,0,0,1|1,0,1]=4 1757 B11R1.266 CCN1CCCC(C1)C(=O)[13CH3] 1458a_100000743261_200025704644 [1,0,0,0,0,1|1,0,1]=4 1758 B11R1.266 CNC1CCCC(C1)C(=O)O 269956a_100011216634_200000210301 [1,0,0,0,0,1|2,0,0]=4 1759 B11R1.266 COC1CCCN(C1)C(=O)C 11a_100000695604_100015343762 [1,0,0,0,0,1|2,0,0]=4 1760 B11R1.266 COC1CCCN(C1)C(=O)C 1626a_100000695604_100015343762 [1,0,0,0,0,1|2,0,0]=4 1761 B11R1.266 COC1CCCN(C1)C(=O)C 240690a_100000695604_100015343762 [1,0,0,0,0,1|2,0,0]=4 1762 B11R1.266 COC1CCCN(C1)C(=O)C 527a_100000695604_100103153847 [1,0,0,0,0,1|2,0,0]=4 1763 B11R1.266 COC1CCCN(C1)C(=O)C 7a_200011196156_200000210301 [1,0,0,0,0,1|2,0,0]=4 1764 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)O 269956a_100011216634_200025704644 [1,0,0,0,0,1|2,0,0]=4 1765 B11R1.175 CC(=O)N1CCC(C1)C(=O)N 11a_100000752358_100015343762 [0,0,0,0,1,1|1,0,0]=3 1766 B11R1.175 CC(=O)N1CCC(C1)C(=O)N 240690a_100000752358_100015343762 [0,0,0,0,1,1|1,0,0]=3 1767 B11R1.175 CC(=O)N1CCC(C1)C(=O)N 527a_100000752358_100103153847 [0,0,0,0,1,1|1,0,0]=3 1768 B13R1.587 C=C(C)CN1CCCC(C1)C(=O)N 2230a_100000195536_100000748629 [0,0,0,0,0,2|2,0,0]=4 1769 B13R1.587 C=C(C)CN1CCCC(C1)C(=O)N 269982a_100000195536_100000748629 [0,0,0,0,0,2|2,0,0]=4 1770 B13R1.587 C=C(C)CN1CCCC(C1)C(=O)N 34a_100000195536_100000748629 [0,0,0,0,0,2|2,0,0]=4 1771 B13R1.587 CC(=O)NC1CCCC(C1)C(=O)N 11a_100000749473_100015343762 [0,0,0,0,0,2|2,0,0]=4 1772 B13R1.587 CC(=O)NC1CCCC(C1)C(=O)N 1626a_100000749473_100015343762 [0,0,0,0,0,2|2,0,0]=4 1773 B13R1.587 CC(=O)NC1CCCC(C1)C(=O)N 240690a_100000749473_100015343762 [0,0,0,0,0,2|2,0,0]=4 1774 B13R1.587 CC(=O)NC1CCCC(C1)C(=O)N 527a_100000749473_100103153847 [0,0,0,0,0,2|2,0,0]=4 1775 B13R1.587 CC(=O)NC1CCCN(C1)C(=O)C 11a_106657272119_100015343762 [0,0,0,0,0,2|1,0,0]=3 1776 B13R1.587 CC(=O)NC1CCCN(C1)C(=O)C 1626a_106657272119_100015343762 [0,0,0,0,0,2|1,0,0]=3 1777 B13R1.587 CC(=O)NC1CCCN(C1)C(=O)C 240690a_106657272119_100015343762 [0,0,0,0,0,2|1,0,0]=3 1778 B13R1.587 CC(=O)NC1CCCN(C1)C(=O)C 527a_106657272119_100103153847 [0,0,0,0,0,2|1,0,0]=3 1779 B13R1.587 CC(C)N1CCCC(C1)CC(=O)O 269956a_100015207179_100000210206 [0,0,0,0,0,2|1,0,1]=4 1780 B13R1.587 NC(=O)C1CCCN(C1)CC(=O)[O-] 269982a_100000195536_100020667443 [0,0,0,0,0,2|2,0,0]=4 1781 B13R1.587 NC(=O)C1CCCN(C1)CC(=O)[O-] 34a_100000195536_100020667443 [0,0,0,0,0,2|2,0,0]=4 1782 B13R1.587 NC(=O)CN1CCCC(C1)C(=O)N 2230a_100000195536_100000747473 [0,0,0,0,0,2|2,0,0]=4 1783 B13R1.587 NC(=O)CN1CCCC(C1)C(=O)N 269982a_100000195536_100000187820 [0,0,0,0,0,2|2,0,0]=4 1784 B13R1.587 NC(=O)CN1CCCC(C1)C(=O)N 34a_100000195536_100000187820 [0,0,0,0,0,2|2,0,0]=4 1785 B13R1.8652 CC(=O)N1CCCN(CC1)C(=O)C 240690a_100000233754_100015343762 [0,0,0,0,0,2|2,0,0]=4 1786 B13R1.8652 CC(=O)N1CCCN(CC1)C(=O)C 527a_100000233754_100103153847 [0,0,0,0,0,2|2,0,0]=4 1787 B13R1.8652 CC(C)N1CCCC(CC1)C(=O)O 269956a_100000134118_100000210206 [0,0,0,0,0,2|1,0,1]=4 1788 B13R1.589 C=C(C)CN1CCCCC1C(=O)N 2230a_100000181395_100000748629 [0,0,0,0,0,2|2,0,0]=4 1789 B13R1.589 C=C(C)CN1CCCCC1C(=O)N 269982a_100000181395_100000748629 [0,0,0,0,0,2|2,0,0]=4 1790 B13R1.589 C=C(C)CN1CCCCC1C(=O)N 34a_100000181395_100000748629 [0,0,0,0,0,2|2,0,0]=4 1791 B13R1.589 C=C(C)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000748629 [0,0,0,0,0,2|1,0,0]=3 1792 B13R1.589 C=C(C)CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000748629 [0,0,0,0,0,2|1,0,0]=3 1793 B13R1.589 C=C(C)CN1CCSCC1C(=O)O 269956a_100011346106_100000748629 [0,0,0,0,0,2|1,0,0]=3 1794 B13R1.589 C=C(C)CN1CSCCC1C(=O)O 269956a_100015185162_100000748629 [0,0,0,0,0,2|1,0,0]=3 1795 B13R1.589 C=C(F)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000042424 [0,0,0,0,0,2|1,0,1]=4 1796 B13R1.589 C=C(F)CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000042424 [0,0,0,0,0,2|1,0,1]=4 1797 B13R1.589 C=C(F)CN1CCSCC1C(=O)O 269956a_100011346106_100000042424 [0,0,0,0,0,2|1,0,1]=4 1798 B13R1.589 C=C(F)CN1CSCCC1C(=O)O 269956a_100015185162_100000042424 [0,0,0,0,0,2|1,0,1]=4 1799 B13R1.589 CC(=O)N1CCCCC1CC(=O)N 11a_100015184752_100015343762 [0,0,0,0,0,2|1,0,0]=3 1800 B13R1.589 CC(=O)N1CCCCC1CC(=O)N 1626a_100015184752_100015343762 [0,0,0,0,0,2|1,0,0]=3 1801 B13R1.589 CC(=O)N1CCCCC1CC(=O)N 240690a_100015184752_100015343762 [0,0,0,0,0,2|1,0,0]=3 1802 B13R1.589 CC(=O)N1CCCCC1CC(=O)N 527a_100015184752_100103153847 [0,0,0,0,0,2|1,0,0]=3 1803 B13R1.589 CC(C)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210760 [0,0,0,0,0,2|1,0,1]=4 1804 B13R1.589 CC(C)CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210760 [0,0,0,0,0,2|1,0,1]=4 1805 B13R1.589 CC(C)CN1CCSCC1C(=O)O 269956a_100011346106_100000210760 [0,0,0,0,0,2|1,0,1]=4 1806 B13R1.589 CC(C)CN1CSCCC1C(=O)O 269956a_100015185162_100000210760 [0,0,0,0,0,2|1,0,1]=4 1807 B13R1.589 CC(O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011218427 [0,0,0,0,0,2|0,0,2]=4 1808 B13R1.589 CC(O)CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100011218427 [0,0,0,0,0,2|0,0,2]=4 1809 B13R1.589 CC(O)CN1CCSCC1C(=O)O 269956a_100011346106_100011218427 [0,0,0,0,0,2|0,0,2]=4 1810 B13R1.589 CC(O)CN1CSCCC1C(=O)O 269956a_100015185162_100011218427 [0,0,0,0,0,2|0,0,2]=4 1811 B13R1.589 C[C@@H](O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100009817552 [0,0,0,0,0,2|0,0,2]=4 1812 B13R1.589 C[C@@H](O)CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100009817552 [0,0,0,0,0,2|0,0,2]=4 1813 B13R1.589 C[C@@H](O)CN1CCSCC1C(=O)O 269956a_100011346106_100009817552 [0,0,0,0,0,2|0,0,2]=4 1814 B13R1.589 C[C@@H](O)CN1CSCCC1C(=O)O 269956a_100015185162_100009817552 [0,0,0,0,0,2|0,0,2]=4 1815 B13R1.589 NC(=O)C1CCCCN1CC(=O)[O-] 269982a_100000181395_100020667443 [0,0,0,0,0,2|2,0,0]=4 1816 B13R1.589 NC(=O)C1CCCCN1CC(=O)[O-] 34a_100000181395_100020667443 [0,0,0,0,0,2|2,0,0]=4 1817 B13R1.589 NC(=O)CN1CCCCC1C(=O)N 2230a_100000181395_100000747473 [0,0,0,0,0,2|2,0,0]=4 1818 B13R1.589 NC(=O)CN1CCCCC1C(=O)N 269982a_100000181395_100000187820 [0,0,0,0,0,2|2,0,0]=4 1819 B13R1.589 NC(=O)CN1CCCCC1C(=O)N 34a_100000181395_100000187820 [0,0,0,0,0,2|2,0,0]=4 1820 B13R1.589 NC(=O)CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000187820 [0,0,0,0,0,2|1,0,0]=3 1821 B13R1.589 NC(=O)CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000187820 [0,0,0,0,0,2|1,0,0]=3 1822 B13R1.589 NC(=O)CN1CCSCC1C(=O)O 269956a_100011346106_100000187820 [0,0,0,0,0,2|1,0,0]=3 1823 B13R1.589 NC(=O)CN1CSCCC1C(=O)O 269956a_100015185162_100000187820 [0,0,0,0,0,2|1,0,0]=3 1824 B13R1.589 O=C(O)C1CCSCN1C[N+](=O)[O-] 269956a_100015185162_100000761209 [0,0,0,0,0,2|2,0,0]=4 1825 B13R1.589 O=C(O)C1CSCCN1C[N+](=O)[O-] 269956a_100011346106_100000761209 [0,0,0,0,0,2|2,0,0]=4 1826 B13R1.589 O=C(O)[C@H]1CCCCN1C[N+](=O)[O-] 269956a_100000763471_100000761209 [0,0,0,0,0,2|2,0,0]=4 1827 B13R1.589 O=C(O)[C@H]1COCCN1C[N+](=O)[O-] 269956a_100016993156_100000761209 [0,0,0,0,0,2|2,0,0]=4 1828 B13R1.589 O=C([O-])CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100020667443 [0,0,0,0,0,2|1,0,0]=3 1829 B13R1.589 O=C([O-])CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100020667443 [0,0,0,0,0,2|1,0,0]=3 1830 B13R1.589 O=C([O-])CN1CCSCC1C(=O)O 269956a_100011346106_100020667443 [0,0,0,0,0,2|1,0,0]=3 1831 B13R1.589 O=C([O-])CN1CSCCC1C(=O)O 269956a_100015185162_100020667443 [0,0,0,0,0,2|1,0,0]=3 1832 B13R1.1082 CC(C)N1CCCCCC1C(=O)O 269956a_100000758484_100000210206 [0,0,0,0,0,2|1,0,1]=4 1833 B13R1.3576 C=C(C)CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000730704 [0,0,0,0,0,2|2,0,0]=4 1834 B13R1.3576 C=C(C)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000730704 [0,0,0,0,0,2|1,0,0]=3 1835 B13R1.3576 C=C(C)CCN1CCSC1C(=O)O 269956a_100000035718_100000730704 [0,0,0,0,0,2|2,0,0]=4 1836 B13R1.3576 C=C(C)CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000730704 [0,0,0,0,0,2|2,0,0]=4 1837 B13R1.3576 CC(=CCN1CCC[C@H]1C(=O)N)C 2230a_100000003125_100000761012 [0,0,0,0,0,2|2,0,0]=4 1838 B13R1.3576 CC(=CCN1CCC[C@H]1C(=O)O)C 269956a_100000743916_100000761012 [0,0,0,0,0,2|1,0,0]=3 1839 B13R1.3576 CC(=CCN1CCSC1C(=O)O)C 269956a_100000035718_100000761012 [0,0,0,0,0,2|2,0,0]=4 1840 B13R1.3576 CC(=CCN1CSC[C@H]1C(=O)O)C 269956a_100000743924_100000761012 [0,0,0,0,0,2|2,0,0]=4 1841 B13R1.3576 CC(=O)CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000053229 [0,0,0,0,0,2|0,0,2]=4 1842 B13R1.3576 CC(=O)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000053229 [0,0,0,0,0,2|0,0,0]=2 1843 B13R1.3576 CC(=O)CCN1CCSC1C(=O)O 269956a_100000035718_100000053229 [0,0,0,0,0,2|1,0,0]=3 1844 B13R1.3576 CC(=O)CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000053229 [0,0,0,0,0,2|1,0,0]=3 1845 B13R1.3576 CC(=O)OCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000076356 [0,0,0,0,0,2|0,0,2]=4 1846 B13R1.3576 CC(=O)OCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000076356 [0,0,0,0,0,2|0,0,0]=2 1847 B13R1.3576 CC(=O)OCN1CCSC1C(=O)O 269956a_100000035718_100000076356 [0,0,0,0,0,2|1,0,0]=3 1848 B13R1.3576 CC(=O)OCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000076356 [0,0,0,0,0,2|1,0,0]=3 1849 B13R1.3576 CC(C)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210312 [0,0,0,0,0,2|1,0,1]=4 1850 B13R1.3576 CC(C)OCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000709892 [0,0,0,0,0,2|1,0,1]=4 1851 B13R1.3576 CC(O)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100012276601 [0,0,0,0,0,2|0,0,2]=4 1852 B13R1.3576 CN(C)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000755713 [0,0,0,0,0,2|2,0,0]=4 1853 B13R1.3576 NC(=O)CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000744528 [0,0,0,0,0,2|2,0,0]=4 1854 B13R1.3576 NC(=O)CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000744528 [0,0,0,0,0,2|1,0,0]=3 1855 B13R1.3576 NC(=O)CCN1CCSC1C(=O)O 269956a_100000035718_100000744528 [0,0,0,0,0,2|2,0,0]=4 1856 B13R1.3576 NC(=O)CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000744528 [0,0,0,0,0,2|2,0,0]=4