0 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)O 1458a_100000185857_100011660834 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.148 CC(=O)C(C)Nc1cccc(c1)C 2230a_100000188690_100009814033 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Br 1458a_100000246016_200000210301 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Br 7a_100000210342_100000179758 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.148 CC(=O)C(C)Oc1cccc(c1)C 1458a_100000183885_200000210301 [0,0,0,0,0,0|4,0,0]=4 5 B13R1.148 CC(=O)C(C)Oc1cccc(c1)C 7a_100000210337_100000179758 [0,0,0,0,0,0|4,0,0]=4 6 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Cl 1458a_100000185161_200000210301 [0,0,0,0,0,0|4,0,0]=4 7 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Cl 7a_100000210295_100000179758 [0,0,0,0,0,0|4,0,0]=4 8 B13R1.148 CC(=O)C(C)Oc1cccc(c1)F 7a_100000210426_100000179758 [0,0,0,0,0,0|4,0,0]=4 9 B13R1.148 CC(=O)C(C)Oc1cccc(c1)I 7a_100000211634_100000179758 [0,0,0,0,0,0|4,0,0]=4 10 B13R1.148 CC(=O)C(C)Sc1cc(ccn1)O 62a_100009814033_100000762945 [0,0,0,0,0,0|4,0,0]=4 11 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Br 62a_100000691529_100009814033 [0,0,0,0,0,0|4,0,0]=4 12 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Br 62a_100009814033_100000691529 [0,0,0,0,0,0|4,0,0]=4 13 B13R1.148 CC(=O)C(C)Sc1cccc(c1)C 62a_100009814033_100011215228 [0,0,0,0,0,0|4,0,0]=4 14 B13R1.148 CC(=O)C(C)Sc1cccc(c1)C 62a_100011215228_100009814033 [0,0,0,0,0,0|4,0,0]=4 15 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Cl 62a_100000699651_100009814033 [0,0,0,0,0,0|4,0,0]=4 16 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Cl 62a_100009814033_100000699651 [0,0,0,0,0,0|4,0,0]=4 17 B13R1.148 CC(=O)C(C)Sc1cccc(c1)F 62a_100000685547_100009814033 [0,0,0,0,0,0|4,0,0]=4 18 B13R1.148 CC(=O)C(C)Sc1cccc(c1)F 62a_100009814033_100000685547 [0,0,0,0,0,0|4,0,0]=4 19 B13R1.148 CC(=O)C(C)Sc1cccc(c1)N 62a_100000210019_100009814033 [0,0,0,0,0,0|4,0,0]=4 20 B13R1.148 CC(=O)C(C)Sc1cccc(c1)N 62a_100009814033_100000210019 [0,0,0,0,0,0|4,0,0]=4 21 B13R1.148 CC(=O)C(C)Sc1cccc(c1)O 62a_100009814033_100000211634 [0,0,0,0,0,0|3,0,0]=3 22 B13R1.148 CC(=O)C(C)Sc1cccc(c1)[S] 62a_100009814033_114929384022 [0,0,0,0,0,0|3,1,0]=4 23 B13R1.148 CC(=O)C(C)Sc1cccc(c1)[S] 62a_114929384022_100009814033 [0,0,0,0,0,0|3,1,0]=4 24 B13R1.148 CC(=O)C(C)Sc1cncc(c1)O 62a_100000754920_100009814033 [0,0,0,0,0,0|4,0,0]=4 25 B13R1.148 CC(=O)C(C)Sc1cncc(c1)O 62a_100009814033_100000754920 [0,0,0,0,0,0|4,0,0]=4 26 B13R1.148 CC(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200000210301 [0,0,0,0,0,0|3,0,0]=3 27 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 11a_100000187585_100015343762 [0,0,0,0,0,0|4,0,0]=4 28 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 1626a_100000187585_100015343762 [0,0,0,0,0,0|4,0,0]=4 29 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 240690a_100000187585_100015343762 [0,0,0,0,0,0|4,0,0]=4 30 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 527a_100000187585_100103153847 [0,0,0,0,0,0|4,0,0]=4 31 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 11a_102495364743_100015343762 [0,0,0,0,0,0|4,0,0]=4 32 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 1626a_102495364743_100015343762 [0,0,0,0,0,0|4,0,0]=4 33 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 240690a_102495364743_100015343762 [0,0,0,0,0,0|4,0,0]=4 34 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 527a_102495364743_100103153847 [0,0,0,0,0,0|4,0,0]=4 35 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 11a_100020629429_100015343762 [0,0,0,0,0,0|4,0,0]=4 36 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 1626a_100020629429_100015343762 [0,0,0,0,0,0|4,0,0]=4 37 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 240690a_100020629429_100015343762 [0,0,0,0,0,0|4,0,0]=4 38 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 527a_100020629429_100103153847 [0,0,0,0,0,0|4,0,0]=4 39 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 11a_100000184398_100015343762 [0,0,0,0,0,0|4,0,0]=4 40 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 1626a_100000184398_100015343762 [0,0,0,0,0,0|4,0,0]=4 41 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 240690a_100000184398_100015343762 [0,0,0,0,0,0|4,0,0]=4 42 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 527a_100000184398_100103153847 [0,0,0,0,0,0|4,0,0]=4 43 B13R1.148 CC(=O)N(C)Cc1cccc(c1)O 240690a_100000207540_100015343762 [0,0,0,0,0,0|3,0,0]=3 44 B13R1.148 CC(=O)N(C)Cc1cccc(c1)O 527a_100000207540_100103153847 [0,0,0,0,0,0|3,0,0]=3 45 B13R1.148 CC(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200000210301 [0,0,0,0,0,0|3,0,0]=3 46 B13R1.148 CC(Nc1cccc(c1)Br)C(=O)N 34a_100000210019_100000702099 [0,0,0,0,0,0|4,0,0]=4 47 B13R1.148 CC(Nc1cccc(c1)Cl)C(=O)N 34a_100000185859_100000702099 [0,0,0,0,0,0|4,0,0]=4 48 B13R1.148 CC(Nc1cccc(c1)F)C(=O)N 34a_100000210047_100000702099 [0,0,0,0,0,0|4,0,0]=4 49 B13R1.148 CC(Nc1cccc(c1)I)C(=O)N 34a_100000211102_100000702099 [0,0,0,0,0,0|4,0,0]=4 50 B13R1.148 CC(Nc1cccc(c1)O)C(=O)N 34a_100000210217_100000702099 [0,0,0,0,0,0|3,0,0]=3 51 B13R1.148 CC(Oc1cccc(c1)Br)C(=O)N 34a_100000210342_100000702099 [0,0,0,0,0,0|4,0,0]=4 52 B13R1.148 CC(Oc1cccc(c1)Br)C(=O)N 7a_100000210342_100000702099 [0,0,0,0,0,0|4,0,0]=4 53 B13R1.148 CC(Oc1cccc(c1)Br)C(=O)[13CH3] 1458a_100000246016_200025704644 [0,0,0,0,0,0|4,0,0]=4 54 B13R1.148 CC(Oc1cccc(c1)Cl)C(=O)N 34a_100000210295_100000702099 [0,0,0,0,0,0|4,0,0]=4 55 B13R1.148 CC(Oc1cccc(c1)Cl)C(=O)N 7a_100000210295_100000702099 [0,0,0,0,0,0|4,0,0]=4 56 B13R1.148 CC(Oc1cccc(c1)Cl)C(=O)[13CH3] 1458a_100000185161_200025704644 [0,0,0,0,0,0|4,0,0]=4 57 B13R1.148 CC(Oc1cccc(c1)F)C(=O)N 34a_100000210426_100000702099 [0,0,0,0,0,0|4,0,0]=4 58 B13R1.148 CC(Oc1cccc(c1)F)C(=O)N 7a_100000210426_100000702099 [0,0,0,0,0,0|4,0,0]=4 59 B13R1.148 CC(Oc1cccc(c1)I)C(=O)N 34a_100000211634_100000702099 [0,0,0,0,0,0|4,0,0]=4 60 B13R1.148 CC(Oc1cccc(c1)I)C(=O)N 7a_100000211634_100000702099 [0,0,0,0,0,0|4,0,0]=4 61 B13R1.148 CC(Oc1cccc(c1)N)C(=O)N 34a_100000210217_100000702099 [0,0,0,0,0,0|4,0,0]=4 62 B13R1.148 CC(Oc1cccc(c1)O)C(=O)N 271570a_203496583355_200000150601 [0,0,0,0,0,0|3,0,0]=3 63 B13R1.148 CC(Sc1cc(ccn1)O)C(=O)N 62a_100000702099_100000762945 [0,0,0,0,0,0|4,0,0]=4 64 B13R1.148 CC(Sc1cccc(c1)Br)C(=O)N 62a_100000691529_100000702099 [0,0,0,0,0,0|4,0,0]=4 65 B13R1.148 CC(Sc1cccc(c1)Br)C(=O)N 62a_100000702099_100000691529 [0,0,0,0,0,0|4,0,0]=4 66 B13R1.148 CC(Sc1cccc(c1)Cl)C(=O)N 62a_100000699651_100000702099 [0,0,0,0,0,0|4,0,0]=4 67 B13R1.148 CC(Sc1cccc(c1)Cl)C(=O)N 62a_100000702099_100000699651 [0,0,0,0,0,0|4,0,0]=4 68 B13R1.148 CC(Sc1cccc(c1)F)C(=O)N 62a_100000685547_100000702099 [0,0,0,0,0,0|4,0,0]=4 69 B13R1.148 CC(Sc1cccc(c1)F)C(=O)N 62a_100000702099_100000685547 [0,0,0,0,0,0|4,0,0]=4 70 B13R1.148 CC(Sc1cccc(c1)N)C(=O)N 62a_100000210019_100000702099 [0,0,0,0,0,0|4,0,0]=4 71 B13R1.148 CC(Sc1cccc(c1)N)C(=O)N 62a_100000702099_100000210019 [0,0,0,0,0,0|4,0,0]=4 72 B13R1.148 CC(Sc1cccc(c1)O)C(=O)N 62a_100000702099_100000211634 [0,0,0,0,0,0|3,0,0]=3 73 B13R1.148 CC(Sc1cccc(c1)[S])C(=O)N 62a_100000702099_114929384022 [0,0,0,0,0,0|3,1,0]=4 74 B13R1.148 CC(Sc1cccc(c1)[S])C(=O)N 62a_114929384022_100000702099 [0,0,0,0,0,0|3,1,0]=4 75 B13R1.148 CC(Sc1cncc(c1)O)C(=O)N 62a_100000702099_100000754920 [0,0,0,0,0,0|4,0,0]=4 76 B13R1.148 CC(Sc1cncc(c1)O)C(=O)N 62a_100000754920_100000702099 [0,0,0,0,0,0|4,0,0]=4 77 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)O 1458a_100000717761_100011660834 [0,0,0,0,0,0|2,0,2]=4 78 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)O 1458a_217856618621_100011660834 [0,0,0,0,0,0|2,0,2]=4 79 B13R1.148 Cc1cccc(c1)NC(C)C(=O)N 2230a_100000188690_100000702099 [0,0,0,0,0,0|4,0,0]=4 80 B13R1.148 Cc1cccc(c1)NC(C)C(=O)N 34a_100000188690_100000702099 [0,0,0,0,0,0|4,0,0]=4 81 B13R1.148 Cc1cccc(c1)NC(F)C(=O)N 2230a_100000188690_100009813875 [0,0,0,0,0,0|4,0,0]=4 82 B13R1.148 Cc1cccc(c1)NC(F)C(=O)N 34a_100000188690_100009813875 [0,0,0,0,0,0|4,0,0]=4 83 B13R1.148 Cc1cccc(c1)NC(F)C(=O)[O-] 34a_100000188690_100020610796 [0,0,0,0,0,0|3,0,1]=4 84 B13R1.148 Cc1cccc(c1)OC(C)C(=O)N 34a_100000210337_100000702099 [0,0,0,0,0,0|4,0,0]=4 85 B13R1.148 Cc1cccc(c1)OC(C)C(=O)N 7a_100000210337_100000702099 [0,0,0,0,0,0|4,0,0]=4 86 B13R1.148 Cc1cccc(c1)OC(C)C(=O)[13CH3] 1458a_100000183885_200025704644 [0,0,0,0,0,0|4,0,0]=4 87 B13R1.148 Cc1cccc(c1)OC(F)C(=O)N 34a_100000210337_100009813875 [0,0,0,0,0,0|4,0,0]=4 88 B13R1.148 Cc1cccc(c1)OC(F)C(=O)N 7a_100000210337_100009813875 [0,0,0,0,0,0|4,0,0]=4 89 B13R1.148 Cc1cccc(c1)OC(F)C(=O)[O-] 34a_100000210337_100020610796 [0,0,0,0,0,0|3,0,1]=4 90 B13R1.148 Cc1cccc(c1)SC(C)C(=O)N 62a_100000702099_100011215228 [0,0,0,0,0,0|4,0,0]=4 91 B13R1.148 Cc1cccc(c1)SC(C)C(=O)N 62a_100011215228_100000702099 [0,0,0,0,0,0|4,0,0]=4 92 B13R1.148 Cc1cccc(c1)SC(F)C(=O)N 62a_100009813875_100011215228 [0,0,0,0,0,0|4,0,0]=4 93 B13R1.148 Cc1cccc(c1)SC(F)C(=O)N 62a_100011215228_100009813875 [0,0,0,0,0,0|4,0,0]=4 94 B13R1.148 Cc1cccc(c1)SC(F)C(=O)[O-] 62a_100011215228_100020610796 [0,0,0,0,0,0|3,0,1]=4 95 B13R1.148 Cc1cccc(c1)SC(F)C(=O)[O-] 62a_100020610796_100011215228 [0,0,0,0,0,0|3,0,1]=4 96 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)O 22a_100000210217_100011215815 [0,0,0,0,0,0|3,0,1]=4 97 B13R1.148 NC(=O)C(F)Nc1cccc(c1)Br 34a_100000210019_100009813875 [0,0,0,0,0,0|4,0,0]=4 98 B13R1.148 NC(=O)C(F)Nc1cccc(c1)Cl 34a_100000185859_100009813875 [0,0,0,0,0,0|4,0,0]=4 99 B13R1.148 NC(=O)C(F)Nc1cccc(c1)F 34a_100000210047_100009813875 [0,0,0,0,0,0|4,0,0]=4 100 B13R1.148 NC(=O)C(F)Nc1cccc(c1)I 34a_100000211102_100009813875 [0,0,0,0,0,0|4,0,0]=4 101 B13R1.148 NC(=O)C(F)Nc1cccc(c1)O 34a_100000210217_100009813875 [0,0,0,0,0,0|3,0,0]=3 102 B13R1.148 NC(=O)C(F)Oc1cccc(c1)Br 34a_100000210342_100009813875 [0,0,0,0,0,0|4,0,0]=4 103 B13R1.148 NC(=O)C(F)Oc1cccc(c1)Br 7a_100000210342_100009813875 [0,0,0,0,0,0|4,0,0]=4 104 B13R1.148 NC(=O)C(F)Oc1cccc(c1)Cl 34a_100000210295_100009813875 [0,0,0,0,0,0|4,0,0]=4 105 B13R1.148 NC(=O)C(F)Oc1cccc(c1)Cl 7a_100000210295_100009813875 [0,0,0,0,0,0|4,0,0]=4 106 B13R1.148 NC(=O)C(F)Oc1cccc(c1)F 34a_100000210426_100009813875 [0,0,0,0,0,0|4,0,0]=4 107 B13R1.148 NC(=O)C(F)Oc1cccc(c1)F 7a_100000210426_100009813875 [0,0,0,0,0,0|4,0,0]=4 108 B13R1.148 NC(=O)C(F)Oc1cccc(c1)I 34a_100000211634_100009813875 [0,0,0,0,0,0|4,0,0]=4 109 B13R1.148 NC(=O)C(F)Oc1cccc(c1)I 7a_100000211634_100009813875 [0,0,0,0,0,0|4,0,0]=4 110 B13R1.148 NC(=O)C(F)Oc1cccc(c1)N 34a_100000210217_100009813875 [0,0,0,0,0,0|4,0,0]=4 111 B13R1.148 NC(=O)C(F)Sc1cc(ccn1)O 62a_100009813875_100000762945 [0,0,0,0,0,0|4,0,0]=4 112 B13R1.148 NC(=O)C(F)Sc1cccc(c1)Br 62a_100000691529_100009813875 [0,0,0,0,0,0|4,0,0]=4 113 B13R1.148 NC(=O)C(F)Sc1cccc(c1)Br 62a_100009813875_100000691529 [0,0,0,0,0,0|4,0,0]=4 114 B13R1.148 NC(=O)C(F)Sc1cccc(c1)Cl 62a_100000699651_100009813875 [0,0,0,0,0,0|4,0,0]=4 115 B13R1.148 NC(=O)C(F)Sc1cccc(c1)Cl 62a_100009813875_100000699651 [0,0,0,0,0,0|4,0,0]=4 116 B13R1.148 NC(=O)C(F)Sc1cccc(c1)F 62a_100000685547_100009813875 [0,0,0,0,0,0|4,0,0]=4 117 B13R1.148 NC(=O)C(F)Sc1cccc(c1)F 62a_100009813875_100000685547 [0,0,0,0,0,0|4,0,0]=4 118 B13R1.148 NC(=O)C(F)Sc1cccc(c1)N 62a_100000210019_100009813875 [0,0,0,0,0,0|4,0,0]=4 119 B13R1.148 NC(=O)C(F)Sc1cccc(c1)N 62a_100009813875_100000210019 [0,0,0,0,0,0|4,0,0]=4 120 B13R1.148 NC(=O)C(F)Sc1cccc(c1)O 62a_100009813875_100000211634 [0,0,0,0,0,0|3,0,0]=3 121 B13R1.148 NC(=O)C(F)Sc1cccc(c1)[S] 62a_100009813875_114929384022 [0,0,0,0,0,0|3,1,0]=4 122 B13R1.148 NC(=O)C(F)Sc1cccc(c1)[S] 62a_114929384022_100009813875 [0,0,0,0,0,0|3,1,0]=4 123 B13R1.148 NC(=O)C(F)Sc1cncc(c1)O 62a_100000754920_100009813875 [0,0,0,0,0,0|4,0,0]=4 124 B13R1.148 NC(=O)C(F)Sc1cncc(c1)O 62a_100009813875_100000754920 [0,0,0,0,0,0|4,0,0]=4 125 B13R1.148 Nc1cccc(c1)OC(F)C(=O)[O-] 34a_100000210217_100020610796 [0,0,0,0,0,0|3,0,1]=4 126 B13R1.148 Nc1cccc(c1)SC(F)C(=O)[O-] 62a_100000210019_100020610796 [0,0,0,0,0,0|3,0,1]=4 127 B13R1.148 Nc1cccc(c1)SC(F)C(=O)[O-] 62a_100020610796_100000210019 [0,0,0,0,0,0|3,0,1]=4 128 B13R1.148 O=C(Cc1cccc(c1)O)C(O)O 1458a_100000233687_100011660834 [0,0,0,0,0,0|1,0,3]=4 129 B13R1.148 O=C([O-])C(F)Nc1cccc(c1)Br 34a_100000210019_100020610796 [0,0,0,0,0,0|3,0,1]=4 130 B13R1.148 O=C([O-])C(F)Nc1cccc(c1)Cl 34a_100000185859_100020610796 [0,0,0,0,0,0|3,0,1]=4 131 B13R1.148 O=C([O-])C(F)Nc1cccc(c1)F 34a_100000210047_100020610796 [0,0,0,0,0,0|3,0,1]=4 132 B13R1.148 O=C([O-])C(F)Nc1cccc(c1)I 34a_100000211102_100020610796 [0,0,0,0,0,0|3,0,1]=4 133 B13R1.148 O=C([O-])C(F)Nc1cccc(c1)O 34a_100000210217_100020610796 [0,0,0,0,0,0|2,0,1]=3 134 B13R1.148 O=C([O-])C(F)Oc1cccc(c1)Br 34a_100000210342_100020610796 [0,0,0,0,0,0|3,0,1]=4 135 B13R1.148 O=C([O-])C(F)Oc1cccc(c1)Cl 34a_100000210295_100020610796 [0,0,0,0,0,0|3,0,1]=4 136 B13R1.148 O=C([O-])C(F)Oc1cccc(c1)F 34a_100000210426_100020610796 [0,0,0,0,0,0|3,0,1]=4 137 B13R1.148 O=C([O-])C(F)Oc1cccc(c1)I 34a_100000211634_100020610796 [0,0,0,0,0,0|3,0,1]=4 138 B13R1.148 O=C([O-])C(F)Sc1cc(ccn1)O 62a_100020610796_100000762945 [0,0,0,0,0,0|3,0,1]=4 139 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)Br 62a_100000691529_100020610796 [0,0,0,0,0,0|3,0,1]=4 140 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)Br 62a_100020610796_100000691529 [0,0,0,0,0,0|3,0,1]=4 141 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)Cl 62a_100000699651_100020610796 [0,0,0,0,0,0|3,0,1]=4 142 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)Cl 62a_100020610796_100000699651 [0,0,0,0,0,0|3,0,1]=4 143 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)F 62a_100000685547_100020610796 [0,0,0,0,0,0|3,0,1]=4 144 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)F 62a_100020610796_100000685547 [0,0,0,0,0,0|3,0,1]=4 145 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)O 62a_100020610796_100000211634 [0,0,0,0,0,0|2,0,1]=3 146 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)[S] 62a_100020610796_114929384022 [0,0,0,0,0,0|2,1,1]=4 147 B13R1.148 O=C([O-])C(F)Sc1cccc(c1)[S] 62a_114929384022_100020610796 [0,0,0,0,0,0|2,1,1]=4 148 B13R1.148 O=C([O-])C(F)Sc1cncc(c1)O 62a_100000754920_100020610796 [0,0,0,0,0,0|3,0,1]=4 149 B13R1.148 O=C([O-])C(F)Sc1cncc(c1)O 62a_100020610796_100000754920 [0,0,0,0,0,0|3,0,1]=4 150 B13R1.148 [13CH3]C(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200025704644 [0,0,0,0,0,0|3,0,0]=3 151 B13R1.148 [13CH3]C(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200025704644 [0,0,0,0,0,0|3,0,0]=3 152 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [1,0,0,0,0,0|2,0,0]=3 153 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [1,0,0,0,0,0|2,0,0]=3 154 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [1,0,0,0,0,0|3,0,0]=4 155 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [1,0,0,0,0,0|3,0,0]=4 156 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [1,0,0,0,0,0|3,0,0]=4 157 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [1,0,0,0,0,0|3,0,0]=4 158 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [1,0,0,0,0,0|3,0,0]=4 159 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [1,0,0,0,0,0|3,0,0]=4 160 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [1,0,0,0,0,0|3,0,0]=4 161 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [1,0,0,0,0,0|3,0,0]=4 162 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [1,0,0,0,0,0|3,0,0]=4 163 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [1,0,0,0,0,0|3,0,0]=4 164 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [1,0,0,0,0,0|2,0,0]=3 165 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [1,0,0,0,0,0|2,0,0]=3 166 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [1,0,0,0,0,0|3,0,0]=4 167 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [1,0,0,0,0,0|3,0,0]=4 168 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [1,0,0,0,0,0|3,0,0]=4 169 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [1,0,0,0,0,0|3,0,0]=4 170 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [1,0,0,0,0,0|3,0,0]=4 171 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [1,0,0,0,0,0|3,0,0]=4 172 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [1,0,0,0,0,0|3,0,0]=4 173 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [1,0,0,0,0,0|3,0,0]=4 174 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [1,0,0,0,0,0|3,0,0]=4 175 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [1,0,0,0,0,0|3,0,0]=4 176 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [1,0,0,0,0,0|3,0,0]=4 177 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [1,0,0,0,0,0|3,0,0]=4 178 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [1,0,0,0,0,0|3,0,0]=4 179 B12R1.43 O=C([O-])C(F)Nc1ccccc1 34a_100000106764_100020610796 [1,0,0,0,0,0|2,0,1]=4 180 B12R1.43 O=C([O-])C(F)Oc1ccccc1 34a_100000210340_100020610796 [1,0,0,0,0,0|2,0,1]=4 181 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100000719477_100020610796 [1,0,0,0,0,0|2,0,1]=4 182 B12R1.43 O=C([O-])C(F)Sc1ccccc1 62a_100020610796_100000041952 [1,0,0,0,0,0|2,0,1]=4 183 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [1,0,0,0,0,0|2,0,0]=3 184 B12R1.50 C=CC(=O)Cc1cccc(c1)O 1458a_100000185746_100011660834 [1,0,0,0,0,0|2,0,1]=4 185 B12R1.50 C=CC(C)Sc1cccc(c1)O 62a_100011215867_100000211634 [1,0,0,0,0,0|3,0,0]=4 186 B12R1.50 CC(CO)Nc1cccc(c1)O 34a_100000210217_100012180447 [1,0,0,0,0,0|2,0,1]=4 187 B12R1.50 CC(CO)Sc1cccc(c1)O 62a_100012180447_100000211634 [1,0,0,0,0,0|2,0,1]=4 188 B12R1.50 C[C@H](CO)Sc1cccc(c1)O 62a_100016084084_100000211634 [1,0,0,0,0,0|2,0,1]=4 189 B12R1.50 NC(CO)Cc1cccc(c1)O 271570a_203496583355_114802770106 [1,0,0,0,0,0|0,0,1]=2 190 B12R1.50 O=C(CO)Cc1cccc(c1)O 1458a_100000210174_100011660834 [1,0,0,0,0,0|1,0,2]=4 191 B12R1.226 C=C(C)CNc1cccc(c1)O 34a_100000210217_100000748629 [1,0,0,0,0,0|3,0,0]=4 192 B12R1.226 C=C(C)CSc1cccc(c1)O 62a_100000748629_100000211634 [1,0,0,0,0,0|3,0,0]=4 193 B12R1.226 C=C(F)CNc1cccc(c1)O 34a_100000210217_100009893438 [1,0,0,0,0,0|3,0,0]=4 194 B12R1.226 C=C(F)CSc1cccc(c1)O 62a_100000042424_100000211634 [1,0,0,0,0,0|3,0,0]=4 195 B12R1.226 CC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_200016266566 [1,0,0,0,0,0|1,0,2]=4 196 B12R1.226 CC(=O)C#Cc1cccc(c1)O 1458a_200009909484_200000210301 [1,0,0,0,0,0|1,0,2]=4 197 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000070787_100011740638 [1,0,0,0,0,0|2,0,0]=3 198 B12R1.226 CC(=O)CCc1cccc(c1)Br 1458a_100000184314_200000210301 [1,0,0,0,0,0|2,0,0]=3 199 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [1,0,0,0,0,0|2,0,0]=3 200 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [1,0,0,0,0,0|2,0,0]=3 201 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000070787_100011713710 [1,0,0,0,0,0|2,0,0]=3 202 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1458a_100000235675_200000210301 [1,0,0,0,0,0|2,0,0]=3 203 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000070787_100011217235 [1,0,0,0,0,0|2,0,0]=3 204 B12R1.226 CC(=O)CCc1cccc(c1)F 1458a_100000235673_200000210301 [1,0,0,0,0,0|2,0,0]=3 205 B12R1.226 CC(=O)CCc1cccc(c1)I 1458a_100010007846_200000210301 [1,0,0,0,0,0|2,0,0]=3 206 B12R1.226 CC(=O)CCc1cccc(c1)O 1458a_100011216126_200000210301 [1,0,0,0,0,0|1,0,0]=2 207 B12R1.226 CC(=O)CCc1cccc(c1)O 271570a_203496583355_100011279149 [1,0,0,0,0,0|1,0,0]=2 208 B12R1.226 CC(=O)COc1cccc(c1)Br 1458a_100000182359_200000210301 [1,0,0,0,0,0|3,0,0]=4 209 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [1,0,0,0,0,0|3,0,0]=4 210 B12R1.226 CC(=O)COc1cccc(c1)Cl 1458a_100000184978_200000210301 [1,0,0,0,0,0|3,0,0]=4 211 B12R1.226 CC(=O)COc1cccc(c1)F 1458a_100000182781_200000210301 [1,0,0,0,0,0|3,0,0]=4 212 B12R1.226 CC(=O)CSc1cccc(c1)Br 1458a_100000760868_200000210301 [1,0,0,0,0,0|3,0,0]=4 213 B12R1.226 CC(=O)NCc1cccc(c1)Br 11a_100000174977_100015343762 [1,0,0,0,0,0|3,0,0]=4 214 B12R1.226 CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100015343762 [1,0,0,0,0,0|3,0,0]=4 215 B12R1.226 CC(=O)NCc1cccc(c1)Br 240690a_100000174977_100015343762 [1,0,0,0,0,0|3,0,0]=4 216 B12R1.226 CC(=O)NCc1cccc(c1)Br 527a_100000174977_100103153847 [1,0,0,0,0,0|3,0,0]=4 217 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [1,0,0,0,0,0|3,0,0]=4 218 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [1,0,0,0,0,0|3,0,0]=4 219 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [1,0,0,0,0,0|3,0,0]=4 220 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [1,0,0,0,0,0|3,0,0]=4 221 B12R1.226 CC(=O)NCc1cccc(c1)Cl 11a_100000174878_100015343762 [1,0,0,0,0,0|3,0,0]=4 222 B12R1.226 CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100015343762 [1,0,0,0,0,0|3,0,0]=4 223 B12R1.226 CC(=O)NCc1cccc(c1)Cl 240690a_100000174878_100015343762 [1,0,0,0,0,0|3,0,0]=4 224 B12R1.226 CC(=O)NCc1cccc(c1)Cl 527a_100000174878_100103153847 [1,0,0,0,0,0|3,0,0]=4 225 B12R1.226 CC(=O)NCc1cccc(c1)F 11a_100000174948_100015343762 [1,0,0,0,0,0|3,0,0]=4 226 B12R1.226 CC(=O)NCc1cccc(c1)F 1626a_100000174948_100015343762 [1,0,0,0,0,0|3,0,0]=4 227 B12R1.226 CC(=O)NCc1cccc(c1)F 240690a_100000174948_100015343762 [1,0,0,0,0,0|3,0,0]=4 228 B12R1.226 CC(=O)NCc1cccc(c1)F 527a_100000174948_100103153847 [1,0,0,0,0,0|3,0,0]=4 229 B12R1.226 CC(=O)NCc1cccc(c1)I 11a_100000106179_100015343762 [1,0,0,0,0,0|3,0,0]=4 230 B12R1.226 CC(=O)NCc1cccc(c1)I 1626a_100000106179_100015343762 [1,0,0,0,0,0|3,0,0]=4 231 B12R1.226 CC(=O)NCc1cccc(c1)I 240690a_100000106179_100015343762 [1,0,0,0,0,0|3,0,0]=4 232 B12R1.226 CC(=O)NCc1cccc(c1)I 527a_100000106179_100103153847 [1,0,0,0,0,0|3,0,0]=4 233 B12R1.226 CC(=O)NCc1cccc(c1)O 240690a_100000743036_100015343762 [1,0,0,0,0,0|2,0,0]=3 234 B12R1.226 CC(=O)NCc1cccc(c1)O 271570a_203496583355_100000766983 [1,0,0,0,0,0|2,0,0]=3 235 B12R1.226 CC(=O)NCc1cccc(c1)O 527a_100000743036_100103153847 [1,0,0,0,0,0|2,0,0]=3 236 B12R1.226 CC(=O)NCc1ccnc(c1)O 11a_100000748557_100015343762 [1,0,0,0,0,0|3,0,0]=4 237 B12R1.226 CC(=O)NCc1ccnc(c1)O 240690a_100000748557_100015343762 [1,0,0,0,0,0|3,0,0]=4 238 B12R1.226 CC(=O)NCc1ccnc(c1)O 527a_100000748557_100103153847 [1,0,0,0,0,0|3,0,0]=4 239 B12R1.226 CC(O)CNc1cccc(c1)O 34a_100000210217_100011218427 [1,0,0,0,0,0|2,0,1]=4 240 B12R1.226 CC(O)CSc1cccc(c1)O 62a_100011218427_100000211634 [1,0,0,0,0,0|2,0,1]=4 241 B12R1.226 C[C@@H](O)CNc1cccc(c1)O 34a_100000210217_100009817552 [1,0,0,0,0,0|2,0,1]=4 242 B12R1.226 C[C@@H](O)CSc1cccc(c1)O 62a_100009817552_100000211634 [1,0,0,0,0,0|2,0,1]=4 243 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [1,0,0,0,0,0|2,0,0]=3 244 B12R1.226 Cc1cccc(c1)NCC(=O)N 2230a_100000188690_100000747473 [1,0,0,0,0,0|3,0,0]=4 245 B12R1.226 Cc1cccc(c1)NCC(=O)N 34a_100000188690_100000187820 [1,0,0,0,0,0|3,0,0]=4 246 B12R1.226 Cc1cccc(c1)NCC(=O)[O-] 34a_100000188690_100020667443 [1,0,0,0,0,0|2,0,1]=4 247 B12R1.226 Cc1cccc(c1)OCC(=O)N 34a_100000210337_100000187820 [1,0,0,0,0,0|3,0,0]=4 248 B12R1.226 Cc1cccc(c1)OCC(=O)N 7a_100000210337_100000187820 [1,0,0,0,0,0|3,0,0]=4 249 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [1,0,0,0,0,0|3,0,0]=4 250 B12R1.226 Cc1cccc(c1)OCC(=O)[O-] 34a_100000210337_100020667443 [1,0,0,0,0,0|2,0,1]=4 251 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215228 [1,0,0,0,0,0|3,0,0]=4 252 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100011215228_100000747473 [1,0,0,0,0,0|3,0,0]=4 253 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100011215228_100020667443 [1,0,0,0,0,0|2,0,1]=4 254 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215228 [1,0,0,0,0,0|2,0,1]=4 255 B12R1.226 NC(=O)CCc1cccc(c1)O 271570a_203496583355_100000162029 [1,0,0,0,0,0|1,0,0]=2 256 B12R1.226 NC(=O)CNc1cccc(c1)Br 34a_100000210019_100000187820 [1,0,0,0,0,0|3,0,0]=4 257 B12R1.226 NC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000187820 [1,0,0,0,0,0|3,0,0]=4 258 B12R1.226 NC(=O)CNc1cccc(c1)F 34a_100000210047_100000187820 [1,0,0,0,0,0|3,0,0]=4 259 B12R1.226 NC(=O)CNc1cccc(c1)I 34a_100000211102_100000187820 [1,0,0,0,0,0|3,0,0]=4 260 B12R1.226 NC(=O)CNc1cccc(c1)O 34a_100000210217_100000187820 [1,0,0,0,0,0|2,0,0]=3 261 B12R1.226 NC(=O)COc1cccc(c1)Br 34a_100000210342_100000187820 [1,0,0,0,0,0|3,0,0]=4 262 B12R1.226 NC(=O)COc1cccc(c1)Br 7a_100000210342_100000187820 [1,0,0,0,0,0|3,0,0]=4 263 B12R1.226 NC(=O)COc1cccc(c1)Cl 34a_100000210295_100000187820 [1,0,0,0,0,0|3,0,0]=4 264 B12R1.226 NC(=O)COc1cccc(c1)Cl 7a_100000210295_100000187820 [1,0,0,0,0,0|3,0,0]=4 265 B12R1.226 NC(=O)COc1cccc(c1)F 34a_100000210426_100000187820 [1,0,0,0,0,0|3,0,0]=4 266 B12R1.226 NC(=O)COc1cccc(c1)F 7a_100000210426_100000187820 [1,0,0,0,0,0|3,0,0]=4 267 B12R1.226 NC(=O)COc1cccc(c1)I 34a_100000211634_100000187820 [1,0,0,0,0,0|3,0,0]=4 268 B12R1.226 NC(=O)COc1cccc(c1)I 7a_100000211634_100000187820 [1,0,0,0,0,0|3,0,0]=4 269 B12R1.226 NC(=O)COc1cccc(c1)N 34a_100000210217_100000187820 [1,0,0,0,0,0|3,0,0]=4 270 B12R1.226 NC(=O)COc1cccc(c1)O 271570a_203496583355_200000150604 [1,0,0,0,0,0|2,0,0]=3 271 B12R1.226 NC(=O)CSc1cc(ccn1)O 62a_100000747473_100000762945 [1,0,0,0,0,0|3,0,0]=4 272 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747473 [1,0,0,0,0,0|3,0,0]=4 273 B12R1.226 NC(=O)CSc1cccc(c1)Br 62a_100000747473_100000691529 [1,0,0,0,0,0|3,0,0]=4 274 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747473 [1,0,0,0,0,0|3,0,0]=4 275 B12R1.226 NC(=O)CSc1cccc(c1)Cl 62a_100000747473_100000699651 [1,0,0,0,0,0|3,0,0]=4 276 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000685547_100000747473 [1,0,0,0,0,0|3,0,0]=4 277 B12R1.226 NC(=O)CSc1cccc(c1)F 62a_100000747473_100000685547 [1,0,0,0,0,0|3,0,0]=4 278 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000210019_100000747473 [1,0,0,0,0,0|3,0,0]=4 279 B12R1.226 NC(=O)CSc1cccc(c1)N 62a_100000747473_100000210019 [1,0,0,0,0,0|3,0,0]=4 280 B12R1.226 NC(=O)CSc1cccc(c1)O 62a_100000747473_100000211634 [1,0,0,0,0,0|2,0,0]=3 281 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_100000747473_114929384022 [1,0,0,0,0,0|2,1,0]=4 282 B12R1.226 NC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747473 [1,0,0,0,0,0|2,1,0]=4 283 B12R1.226 NC(=O)CSc1cncc(c1)O 62a_100000747473_100000754920 [1,0,0,0,0,0|3,0,0]=4 284 B12R1.226 NC(=O)CSc1cncc(c1)O 62a_100000754920_100000747473 [1,0,0,0,0,0|3,0,0]=4 285 B12R1.226 Nc1cccc(c1)OCC(=O)[O-] 34a_100000210217_100020667443 [1,0,0,0,0,0|2,0,1]=4 286 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100000210019_100020667443 [1,0,0,0,0,0|2,0,1]=4 287 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000210019 [1,0,0,0,0,0|2,0,1]=4 288 B12R1.226 O=C([O-])CNc1cccc(c1)Br 34a_100000210019_100020667443 [1,0,0,0,0,0|2,0,1]=4 289 B12R1.226 O=C([O-])CNc1cccc(c1)Cl 34a_100000185859_100020667443 [1,0,0,0,0,0|2,0,1]=4 290 B12R1.226 O=C([O-])CNc1cccc(c1)F 34a_100000210047_100020667443 [1,0,0,0,0,0|2,0,1]=4 291 B12R1.226 O=C([O-])CNc1cccc(c1)I 34a_100000211102_100020667443 [1,0,0,0,0,0|2,0,1]=4 292 B12R1.226 O=C([O-])CNc1cccc(c1)O 34a_100000210217_100020667443 [1,0,0,0,0,0|1,0,1]=3 293 B12R1.226 O=C([O-])COc1cccc(c1)Br 34a_100000210342_100020667443 [1,0,0,0,0,0|2,0,1]=4 294 B12R1.226 O=C([O-])COc1cccc(c1)Cl 34a_100000210295_100020667443 [1,0,0,0,0,0|2,0,1]=4 295 B12R1.226 O=C([O-])COc1cccc(c1)F 34a_100000210426_100020667443 [1,0,0,0,0,0|2,0,1]=4 296 B12R1.226 O=C([O-])COc1cccc(c1)I 34a_100000211634_100020667443 [1,0,0,0,0,0|2,0,1]=4 297 B12R1.226 O=C([O-])CSc1cc(ccn1)O 62a_100020667443_100000762945 [1,0,0,0,0,0|2,0,1]=4 298 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100000691529_100020667443 [1,0,0,0,0,0|2,0,1]=4 299 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100020667443_100000691529 [1,0,0,0,0,0|2,0,1]=4 300 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100000699651_100020667443 [1,0,0,0,0,0|2,0,1]=4 301 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100020667443_100000699651 [1,0,0,0,0,0|2,0,1]=4 302 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100000685547_100020667443 [1,0,0,0,0,0|2,0,1]=4 303 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100020667443_100000685547 [1,0,0,0,0,0|2,0,1]=4 304 B12R1.226 O=C([O-])CSc1cccc(c1)O 62a_100020667443_100000211634 [1,0,0,0,0,0|1,0,1]=3 305 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_100020667443_114929384022 [1,0,0,0,0,0|1,1,1]=4 306 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_114929384022_100020667443 [1,0,0,0,0,0|1,1,1]=4 307 B12R1.226 O=C([O-])CSc1cncc(c1)O 62a_100000754920_100020667443 [1,0,0,0,0,0|2,0,1]=4 308 B12R1.226 O=C([O-])CSc1cncc(c1)O 62a_100020667443_100000754920 [1,0,0,0,0,0|2,0,1]=4 309 B12R1.226 O=[N+]([O-])CNc1cccc(c1)O 34a_100000210217_100000761209 [1,0,0,0,0,0|2,0,1]=4 310 B12R1.226 [13CH3]C(=O)C#Cc1cccc(c1)O 1458a_200009909484_200025704644 [1,0,0,0,0,0|1,0,2]=4 311 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Br 1458a_100000184314_200025704644 [1,0,0,0,0,0|2,0,0]=3 312 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200025704644 [1,0,0,0,0,0|2,0,0]=3 313 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)F 1458a_100000235673_200025704644 [1,0,0,0,0,0|2,0,0]=3 314 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)I 1458a_100010007846_200025704644 [1,0,0,0,0,0|2,0,0]=3 315 B12R1.226 [13CH3]C(=O)CCc1cccc(c1)O 1458a_100011216126_200025704644 [1,0,0,0,0,0|1,0,0]=2 316 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Br 1458a_100000182359_200025704644 [1,0,0,0,0,0|3,0,0]=4 317 B12R1.226 [13CH3]C(=O)COc1cccc(c1)Cl 1458a_100000184978_200025704644 [1,0,0,0,0,0|3,0,0]=4 318 B12R1.226 [13CH3]C(=O)COc1cccc(c1)F 1458a_100000182781_200025704644 [1,0,0,0,0,0|3,0,0]=4 319 B12R1.226 [13CH3]C(=O)CSc1cccc(c1)Br 1458a_100000760868_200025704644 [1,0,0,0,0,0|3,0,0]=4 320 B14R1.75 CC(=O)C(C)Nc1cccc(c1)CO 2230a_100000211919_100009814033 [0,1,0,0,0,0|3,0,0]=4 321 B14R1.75 CC(=O)C(C)Oc1cccc(c1)CO 7a_100011214949_100000179758 [0,1,0,0,0,0|3,0,0]=4 322 B14R1.75 CC(=O)C(C)Sc1cccc(c1)CO 62a_100000687537_100009814033 [0,1,0,0,0,0|3,0,0]=4 323 B14R1.75 CC(=O)C(C)Sc1cccc(c1)CO 62a_100009814033_100000687537 [0,1,0,0,0,0|3,0,0]=4 324 B14R1.75 CC(Nc1cccc(c1)CO)C(=O)N 2230a_100000211919_100000702099 [0,1,0,0,0,0|3,0,0]=4 325 B14R1.75 CC(Nc1cccc(c1)CO)C(=O)N 34a_100000211919_100000702099 [0,1,0,0,0,0|3,0,0]=4 326 B14R1.75 CC(Oc1cccc(c1)CO)C(=O)N 34a_100011214949_100000702099 [0,1,0,0,0,0|3,0,0]=4 327 B14R1.75 CC(Oc1cccc(c1)CO)C(=O)N 7a_100011214949_100000702099 [0,1,0,0,0,0|3,0,0]=4 328 B14R1.75 CC(Sc1cccc(c1)CO)C(=O)N 62a_100000687537_100000702099 [0,1,0,0,0,0|3,0,0]=4 329 B14R1.75 CC(Sc1cccc(c1)CO)C(=O)N 62a_100000702099_100000687537 [0,1,0,0,0,0|3,0,0]=4 330 B14R1.75 COc1cccc(c1)CC(O)C(=O)C 1458a_100000693103_200000210301 [0,1,0,0,0,0|2,0,0]=3 331 B14R1.75 COc1cccc(c1)CC(O)C(=O)[13CH3] 1458a_100000693103_200025704644 [0,1,0,0,0,0|2,0,0]=3 332 B14R1.75 COc1cccc(c1)CN(C)C(=O)C 11a_100000184262_100015343762 [0,1,0,0,0,0|3,0,0]=4 333 B14R1.75 COc1cccc(c1)CN(C)C(=O)C 1626a_100000184262_100015343762 [0,1,0,0,0,0|3,0,0]=4 334 B14R1.75 COc1cccc(c1)CN(C)C(=O)C 240690a_100000184262_100015343762 [0,1,0,0,0,0|3,0,0]=4 335 B14R1.75 COc1cccc(c1)CN(C)C(=O)C 527a_100000184262_100103153847 [0,1,0,0,0,0|3,0,0]=4 336 B14R1.75 COc1cccc(c1)NC(C)C(=O)N 34a_100000210024_100000702099 [0,1,0,0,0,0|3,0,0]=4 337 B14R1.75 COc1cccc(c1)NC(F)C(=O)N 34a_100000210024_100009813875 [0,1,0,0,0,0|3,0,0]=4 338 B14R1.75 COc1cccc(c1)NC(F)C(=O)[O-] 34a_100000210024_100020610796 [0,1,0,0,0,0|2,0,1]=4 339 B14R1.75 COc1cccc(c1)OC(C)C(=O)C 1458a_100000216024_200000210301 [0,1,0,0,0,0|3,0,0]=4 340 B14R1.75 COc1cccc(c1)OC(C)C(=O)C 7a_100000211255_100000179758 [0,1,0,0,0,0|3,0,0]=4 341 B14R1.75 COc1cccc(c1)OC(C)C(=O)N 34a_100000211255_100000702099 [0,1,0,0,0,0|3,0,0]=4 342 B14R1.75 COc1cccc(c1)OC(C)C(=O)N 7a_100000211255_100000702099 [0,1,0,0,0,0|3,0,0]=4 343 B14R1.75 COc1cccc(c1)OC(C)C(=O)[13CH3] 1458a_100000216024_200025704644 [0,1,0,0,0,0|3,0,0]=4 344 B14R1.75 COc1cccc(c1)OC(F)C(=O)N 34a_100000211255_100009813875 [0,1,0,0,0,0|3,0,0]=4 345 B14R1.75 COc1cccc(c1)OC(F)C(=O)N 7a_100000211255_100009813875 [0,1,0,0,0,0|3,0,0]=4 346 B14R1.75 COc1cccc(c1)OC(F)C(=O)[O-] 34a_100000211255_100020610796 [0,1,0,0,0,0|2,0,1]=4 347 B14R1.75 COc1cccc(c1)SC(C)C(=O)C 62a_100009814033_100000170001 [0,1,0,0,0,0|3,0,0]=4 348 B14R1.75 COc1cccc(c1)SC(C)C(=O)N 62a_100000702099_100000170001 [0,1,0,0,0,0|3,0,0]=4 349 B14R1.75 COc1cccc(c1)SC(F)C(=O)N 62a_100009813875_100000170001 [0,1,0,0,0,0|3,0,0]=4 350 B14R1.75 COc1cccc(c1)SC(F)C(=O)[O-] 62a_100020610796_100000170001 [0,1,0,0,0,0|2,0,1]=4 351 B14R1.75 NC(=O)C(F)Nc1cccc(c1)CO 2230a_100000211919_100009813875 [0,1,0,0,0,0|3,0,0]=4 352 B14R1.75 NC(=O)C(F)Nc1cccc(c1)CO 34a_100000211919_100009813875 [0,1,0,0,0,0|3,0,0]=4 353 B14R1.75 NC(=O)C(F)Oc1cccc(c1)CO 34a_100011214949_100009813875 [0,1,0,0,0,0|3,0,0]=4 354 B14R1.75 NC(=O)C(F)Oc1cccc(c1)CO 7a_100011214949_100009813875 [0,1,0,0,0,0|3,0,0]=4 355 B14R1.75 NC(=O)C(F)Sc1cccc(c1)CO 62a_100000687537_100009813875 [0,1,0,0,0,0|3,0,0]=4 356 B14R1.75 NC(=O)C(F)Sc1cccc(c1)CO 62a_100009813875_100000687537 [0,1,0,0,0,0|3,0,0]=4 357 B14R1.75 O=C([O-])C(F)Nc1cccc(c1)CO 34a_100000211919_100020610796 [0,1,0,0,0,0|2,0,1]=4 358 B14R1.75 O=C([O-])C(F)Oc1cccc(c1)CO 34a_100011214949_100020610796 [0,1,0,0,0,0|2,0,1]=4 359 B14R1.75 O=C([O-])C(F)Sc1cccc(c1)CO 62a_100000687537_100020610796 [0,1,0,0,0,0|2,0,1]=4 360 B14R1.75 O=C([O-])C(F)Sc1cccc(c1)CO 62a_100020610796_100000687537 [0,1,0,0,0,0|2,0,1]=4 361 B14R1.135 C=CC(=O)N(C)Cc1cccc(c1)O 240690a_100000207540_200121576911 [0,1,0,0,0,0|3,0,0]=4 362 B14R1.135 CC(Oc1cccc(c1)O)C(=O)NN 271570a_203496583355_100000184431 [0,1,0,0,0,0|3,0,0]=4 363 B14R1.135 CCC(=O)C(C)Sc1cccc(c1)O 62a_100000742827_100000211634 [0,1,0,0,0,0|3,0,0]=4 364 B14R1.135 CCC(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_100000210202 [0,1,0,0,0,0|3,0,0]=4 365 B14R1.135 CCC(=O)N(C)Cc1cccc(c1)O 240690a_100000207540_100000210414 [0,1,0,0,0,0|3,0,0]=4 366 B14R1.135 CCC(=O)N(C)Cc1cccc(c1)O 527a_100000207540_100000210414 [0,1,0,0,0,0|3,0,0]=4 367 B14R1.135 CCC(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_100000210202 [0,1,0,0,0,0|3,0,0]=4 368 B14R1.135 CN(Cc1cccc(c1)Br)C(=O)CO 240690a_100000187585_100000210174 [0,1,0,0,0,0|3,0,0]=4 369 B14R1.135 CN(Cc1cccc(c1)Br)C(=O)CO 527a_100000187585_100000210174 [0,1,0,0,0,0|3,0,0]=4 370 B14R1.135 CN(Cc1cccc(c1)Cl)C(=O)CO 240690a_100020629429_100000210174 [0,1,0,0,0,0|3,0,0]=4 371 B14R1.135 CN(Cc1cccc(c1)Cl)C(=O)CO 527a_100020629429_100000210174 [0,1,0,0,0,0|3,0,0]=4 372 B14R1.135 CN(Cc1cccc(c1)F)C(=O)CO 240690a_100000184398_100000210174 [0,1,0,0,0,0|3,0,0]=4 373 B14R1.135 CN(Cc1cccc(c1)F)C(=O)CO 527a_100000184398_100000210174 [0,1,0,0,0,0|3,0,0]=4 374 B14R1.135 CN(Cc1cccc(c1)O)C(=O)CO 240690a_100000207540_100000210174 [0,1,0,0,0,0|2,0,0]=3 375 B14R1.135 CN(Cc1cccc(c1)O)C(=O)CO 527a_100000207540_100000210174 [0,1,0,0,0,0|2,0,0]=3 376 B14R1.135 CNC(=O)C(=O)Cc1cccc(c1)O 1458a_100011218921_100011660834 [0,1,0,0,0,0|2,0,1]=4 377 B14R1.135 CNC(=O)C(C)Nc1cccc(c1)O 34a_100000210217_100000731044 [0,1,0,0,0,0|3,0,0]=4 378 B14R1.135 CNC(=O)C(C)Sc1cccc(c1)O 62a_100000209862_100000211634 [0,1,0,0,0,0|3,0,0]=4 379 B14R1.135 CNC(=O)C(F)Nc1cccc(c1)O 34a_100000210217_100009813575 [0,1,0,0,0,0|3,0,0]=4 380 B14R1.135 CNC(=O)C(F)Sc1cccc(c1)O 62a_100009813575_100000211634 [0,1,0,0,0,0|3,0,0]=4 381 B14R1.135 CNC(=O)C(O)Cc1cccc(c1)Br 240690a_100102657272_100012362086 [0,1,0,0,0,0|3,0,0]=4 382 B14R1.135 CNC(=O)N(C)Cc1cccc(c1)O 2708a_100102657272_100000207540 [0,1,0,0,0,0|3,0,0]=4 383 B14R1.135 CNC(=O)N(C)Cc1cccc(c1)O 273464a_100102657272_100000207540 [0,1,0,0,0,0|3,0,0]=4 384 B14R1.135 CNC(=O)[C@@H](O)Cc1cccc(c1)F 240690a_100102657272_200016142683 [0,1,0,0,0,0|3,0,0]=4 385 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000024059 [0,1,0,0,0,0|2,0,1]=4 386 B14R1.135 COC(=O)C(=O)Nc1cccc(c1)O 527a_100000210217_100000024059 [0,1,0,0,0,0|2,0,1]=4 387 B14R1.135 COC(=O)C(C)Nc1cccc(c1)Br 34a_100000210019_100000211248 [0,1,0,0,0,0|3,0,0]=4 388 B14R1.135 COC(=O)C(C)Nc1cccc(c1)C 2230a_100000188690_100000211248 [0,1,0,0,0,0|3,0,0]=4 389 B14R1.135 COC(=O)C(C)Nc1cccc(c1)C 34a_100000188690_100000211248 [0,1,0,0,0,0|3,0,0]=4 390 B14R1.135 COC(=O)C(C)Nc1cccc(c1)Cl 34a_100000185859_100000211248 [0,1,0,0,0,0|3,0,0]=4 391 B14R1.135 COC(=O)C(C)Nc1cccc(c1)F 34a_100000210047_100000211248 [0,1,0,0,0,0|3,0,0]=4 392 B14R1.135 COC(=O)C(C)Nc1cccc(c1)I 34a_100000211102_100000211248 [0,1,0,0,0,0|3,0,0]=4 393 B14R1.135 COC(=O)C(C)Nc1cccc(c1)O 34a_100000210217_100000211248 [0,1,0,0,0,0|2,0,0]=3 394 B14R1.135 COC(=O)C(C)Oc1cccc(c1)Br 34a_100000210342_100000211248 [0,1,0,0,0,0|3,0,0]=4 395 B14R1.135 COC(=O)C(C)Oc1cccc(c1)Br 7a_100000210342_100000211248 [0,1,0,0,0,0|3,0,0]=4 396 B14R1.135 COC(=O)C(C)Oc1cccc(c1)C 34a_100000210337_100000211248 [0,1,0,0,0,0|3,0,0]=4 397 B14R1.135 COC(=O)C(C)Oc1cccc(c1)C 7a_100000210337_100000211248 [0,1,0,0,0,0|3,0,0]=4 398 B14R1.135 COC(=O)C(C)Oc1cccc(c1)Cl 34a_100000210295_100000211248 [0,1,0,0,0,0|3,0,0]=4 399 B14R1.135 COC(=O)C(C)Oc1cccc(c1)Cl 7a_100000210295_100000211248 [0,1,0,0,0,0|3,0,0]=4 400 B14R1.135 COC(=O)C(C)Oc1cccc(c1)F 34a_100000210426_100000211248 [0,1,0,0,0,0|3,0,0]=4 401 B14R1.135 COC(=O)C(C)Oc1cccc(c1)F 7a_100000210426_100000211248 [0,1,0,0,0,0|3,0,0]=4 402 B14R1.135 COC(=O)C(C)Oc1cccc(c1)I 34a_100000211634_100000211248 [0,1,0,0,0,0|3,0,0]=4 403 B14R1.135 COC(=O)C(C)Oc1cccc(c1)I 7a_100000211634_100000211248 [0,1,0,0,0,0|3,0,0]=4 404 B14R1.135 COC(=O)C(C)Oc1cccc(c1)N 34a_100000210217_100000211248 [0,1,0,0,0,0|3,0,0]=4 405 B14R1.135 COC(=O)C(C)Sc1cc(ccn1)O 62a_100000211248_100000762945 [0,1,0,0,0,0|3,0,0]=4 406 B14R1.135 COC(=O)C(C)Sc1cccc(c1)Br 62a_100000211248_100000691529 [0,1,0,0,0,0|3,0,0]=4 407 B14R1.135 COC(=O)C(C)Sc1cccc(c1)Br 62a_100000691529_100000211248 [0,1,0,0,0,0|3,0,0]=4 408 B14R1.135 COC(=O)C(C)Sc1cccc(c1)C 62a_100000211248_100011215228 [0,1,0,0,0,0|3,0,0]=4 409 B14R1.135 COC(=O)C(C)Sc1cccc(c1)C 62a_100011215228_100000211248 [0,1,0,0,0,0|3,0,0]=4 410 B14R1.135 COC(=O)C(C)Sc1cccc(c1)Cl 62a_100000211248_100000699651 [0,1,0,0,0,0|3,0,0]=4 411 B14R1.135 COC(=O)C(C)Sc1cccc(c1)Cl 62a_100000699651_100000211248 [0,1,0,0,0,0|3,0,0]=4 412 B14R1.135 COC(=O)C(C)Sc1cccc(c1)F 62a_100000211248_100000685547 [0,1,0,0,0,0|3,0,0]=4 413 B14R1.135 COC(=O)C(C)Sc1cccc(c1)F 62a_100000685547_100000211248 [0,1,0,0,0,0|3,0,0]=4 414 B14R1.135 COC(=O)C(C)Sc1cccc(c1)N 62a_100000210019_100000211248 [0,1,0,0,0,0|3,0,0]=4 415 B14R1.135 COC(=O)C(C)Sc1cccc(c1)N 62a_100000211248_100000210019 [0,1,0,0,0,0|3,0,0]=4 416 B14R1.135 COC(=O)C(C)Sc1cccc(c1)O 62a_100000211248_100000211634 [0,1,0,0,0,0|2,0,0]=3 417 B14R1.135 COC(=O)C(C)Sc1cccc(c1)[S] 62a_100000211248_114929384022 [0,1,0,0,0,0|2,1,0]=4 418 B14R1.135 COC(=O)C(C)Sc1cccc(c1)[S] 62a_114929384022_100000211248 [0,1,0,0,0,0|2,1,0]=4 419 B14R1.135 COC(=O)C(C)Sc1cncc(c1)O 62a_100000211248_100000754920 [0,1,0,0,0,0|3,0,0]=4 420 B14R1.135 COC(=O)C(C)Sc1cncc(c1)O 62a_100000754920_100000211248 [0,1,0,0,0,0|3,0,0]=4 421 B14R1.135 COC(=O)C(N)Cc1cccc(c1)O 271570a_203496583355_100102946621 [0,1,0,0,0,0|0,0,0]=1 422 B14R1.135 Cc1cccc(c1)CN(C)C(=O)CO 240690a_102495364743_100000210174 [0,1,0,0,0,0|3,0,0]=4 423 B14R1.135 Cc1cccc(c1)CN(C)C(=O)CO 527a_102495364743_100000210174 [0,1,0,0,0,0|3,0,0]=4 424 B14R1.135 O=C(CF)C(O)Cc1cccc(c1)Br 1458a_100012362086_100015361967 [0,1,0,0,0,0|3,0,0]=4 425 B14R1.135 O=C(CF)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_100015361967 [0,1,0,0,0,0|3,0,0]=4 426 B14R1.150 CC(=O)C(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000179758 [0,1,0,0,0,0|2,0,1]=4 427 B14R1.150 CC(=O)C(C)N(C)c1cccc(c1)O 2230a_100000756613_100009814033 [0,1,0,0,0,0|3,0,0]=4 428 B14R1.150 CC(=O)C(C)N(C)c1cccc(c1)O 269982a_100000756613_100009814033 [0,1,0,0,0,0|3,0,0]=4 429 B14R1.150 CC(C(=O)N)C(=O)c1cccc(c1)O 1458a_100000183914_100000702099 [0,1,0,0,0,0|2,0,1]=4 430 B14R1.150 CC(C(=O)N)N(C)c1cccc(c1)O 2230a_100000756613_100000702099 [0,1,0,0,0,0|3,0,0]=4 431 B14R1.150 CC(C(=O)N)N(C)c1cccc(c1)O 269982a_100000756613_100000184083 [0,1,0,0,0,0|3,0,0]=4 432 B14R1.150 CC(C(=O)N)N(C)c1cccc(c1)O 34a_100000756613_100000702099 [0,1,0,0,0,0|3,0,0]=4 433 B14R1.150 CN(c1cccc(c1)O)C(F)C(=O)N 2230a_100000756613_100009813875 [0,1,0,0,0,0|3,0,0]=4 434 B14R1.150 CN(c1cccc(c1)O)C(F)C(=O)N 269982a_100000756613_100009813875 [0,1,0,0,0,0|3,0,0]=4 435 B14R1.150 CN(c1cccc(c1)O)C(F)C(=O)N 34a_100000756613_100009813875 [0,1,0,0,0,0|3,0,0]=4 436 B14R1.150 CN(c1cccc(c1)O)C(F)C(=O)[O-] 34a_100000756613_100020610796 [0,1,0,0,0,0|2,0,1]=4 437 B14R1.150 NC(=O)C(F)C(=O)c1cccc(c1)O 1458a_100000183914_100009813875 [0,1,0,0,0,0|2,0,1]=4 438 B14R1.150 O=C([O-])C(F)C(=O)c1cccc(c1)O 1458a_100000183914_100020610796 [0,1,0,0,0,0|1,0,2]=4 439 B14R1.153 CC(=O)C(C)Nc1cccc(c1Br)O 7a_100012183704_100000179758 [0,1,0,0,0,0|3,0,0]=4 440 B14R1.153 CC(=O)C(C)Nc1cccc(c1C)O 7a_100011216573_100000179758 [0,1,0,0,0,0|3,0,0]=4 441 B14R1.153 CC(=O)C(C)Nc1cccc(c1Cl)O 7a_100012002038_100000179758 [0,1,0,0,0,0|3,0,0]=4 442 B14R1.153 CC(=O)C(C)Sc1cccc(c1Br)O 62a_100009814033_100010187914 [0,1,0,0,0,0|3,0,0]=4 443 B14R1.153 CC(=O)C(C)Sc1cccc(c1Br)O 62a_100010187914_100009814033 [0,1,0,0,0,0|3,0,0]=4 444 B14R1.153 CC(=O)C(C)Sc1cccc(c1C)O 62a_100009814033_100012002258 [0,1,0,0,0,0|3,0,0]=4 445 B14R1.153 CC(=O)C(C)Sc1cccc(c1C)O 62a_100012002258_100009814033 [0,1,0,0,0,0|3,0,0]=4 446 B14R1.153 CC(=O)C(C)Sc1cccc(c1Cl)O 62a_100009814033_100000049636 [0,1,0,0,0,0|3,0,0]=4 447 B14R1.153 CC(=O)C(C)Sc1cccc(c1F)O 62a_100009814033_100009817021 [0,1,0,0,0,0|3,0,0]=4 448 B14R1.153 CC(=O)C(C)Sc1cccc(c1F)O 62a_100009817021_100009814033 [0,1,0,0,0,0|3,0,0]=4 449 B14R1.153 CC(=O)C(C)Sc1cccc(c1N)O 62a_100009814033_100011934926 [0,1,0,0,0,0|3,0,0]=4 450 B14R1.153 CC(=O)C(C)Sc1cccc(c1O)O 62a_100009814033_100009815950 [0,1,0,0,0,0|3,0,0]=4 451 B14R1.153 CC(Nc1cccc(c1Br)O)C(=O)N 34a_100012183704_100000702099 [0,1,0,0,0,0|3,0,0]=4 452 B14R1.153 CC(Nc1cccc(c1Br)O)C(=O)N 7a_100012183704_100000702099 [0,1,0,0,0,0|3,0,0]=4 453 B14R1.153 CC(Nc1cccc(c1Cl)O)C(=O)N 34a_100012002038_100000702099 [0,1,0,0,0,0|3,0,0]=4 454 B14R1.153 CC(Nc1cccc(c1Cl)O)C(=O)N 7a_100012002038_100000702099 [0,1,0,0,0,0|3,0,0]=4 455 B14R1.153 CC(Sc1cccc(c1Br)O)C(=O)N 62a_100000702099_100010187914 [0,1,0,0,0,0|3,0,0]=4 456 B14R1.153 CC(Sc1cccc(c1Br)O)C(=O)N 62a_100010187914_100000702099 [0,1,0,0,0,0|3,0,0]=4 457 B14R1.153 CC(Sc1cccc(c1Cl)O)C(=O)N 62a_100000702099_100000049636 [0,1,0,0,0,0|3,0,0]=4 458 B14R1.153 CC(Sc1cccc(c1F)O)C(=O)N 62a_100000702099_100009817021 [0,1,0,0,0,0|3,0,0]=4 459 B14R1.153 CC(Sc1cccc(c1F)O)C(=O)N 62a_100009817021_100000702099 [0,1,0,0,0,0|3,0,0]=4 460 B14R1.153 CC(Sc1cccc(c1N)O)C(=O)N 62a_100000702099_100011934926 [0,1,0,0,0,0|3,0,0]=4 461 B14R1.153 CC(Sc1cccc(c1O)O)C(=O)N 62a_100000702099_100009815950 [0,1,0,0,0,0|3,0,0]=4 462 B14R1.153 Cc1c(cccc1NC(C)C(=O)N)O 34a_100011216573_100000702099 [0,1,0,0,0,0|3,0,0]=4 463 B14R1.153 Cc1c(cccc1NC(C)C(=O)N)O 7a_100011216573_100000702099 [0,1,0,0,0,0|3,0,0]=4 464 B14R1.153 Cc1c(cccc1NC(F)C(=O)N)O 34a_100011216573_100009813875 [0,1,0,0,0,0|3,0,0]=4 465 B14R1.153 Cc1c(cccc1NC(F)C(=O)N)O 7a_100011216573_100009813875 [0,1,0,0,0,0|3,0,0]=4 466 B14R1.153 Cc1c(cccc1NC(F)C(=O)[O-])O 34a_100011216573_100020610796 [0,1,0,0,0,0|2,0,1]=4 467 B14R1.153 Cc1c(cccc1SC(C)C(=O)N)O 62a_100000702099_100012002258 [0,1,0,0,0,0|3,0,0]=4 468 B14R1.153 Cc1c(cccc1SC(C)C(=O)N)O 62a_100012002258_100000702099 [0,1,0,0,0,0|3,0,0]=4 469 B14R1.153 Cc1c(cccc1SC(F)C(=O)N)O 62a_100009813875_100012002258 [0,1,0,0,0,0|3,0,0]=4 470 B14R1.153 Cc1c(cccc1SC(F)C(=O)N)O 62a_100012002258_100009813875 [0,1,0,0,0,0|3,0,0]=4 471 B14R1.153 Cc1c(cccc1SC(F)C(=O)[O-])O 62a_100012002258_100020610796 [0,1,0,0,0,0|2,0,1]=4 472 B14R1.153 Cc1c(cccc1SC(F)C(=O)[O-])O 62a_100020610796_100012002258 [0,1,0,0,0,0|2,0,1]=4 473 B14R1.153 NC(=O)C(F)Nc1cccc(c1Br)O 34a_100012183704_100009813875 [0,1,0,0,0,0|3,0,0]=4 474 B14R1.153 NC(=O)C(F)Nc1cccc(c1Br)O 7a_100012183704_100009813875 [0,1,0,0,0,0|3,0,0]=4 475 B14R1.153 NC(=O)C(F)Nc1cccc(c1Cl)O 34a_100012002038_100009813875 [0,1,0,0,0,0|3,0,0]=4 476 B14R1.153 NC(=O)C(F)Nc1cccc(c1Cl)O 7a_100012002038_100009813875 [0,1,0,0,0,0|3,0,0]=4 477 B14R1.153 NC(=O)C(F)Sc1cccc(c1Br)O 62a_100009813875_100010187914 [0,1,0,0,0,0|3,0,0]=4 478 B14R1.153 NC(=O)C(F)Sc1cccc(c1Br)O 62a_100010187914_100009813875 [0,1,0,0,0,0|3,0,0]=4 479 B14R1.153 NC(=O)C(F)Sc1cccc(c1Cl)O 62a_100009813875_100000049636 [0,1,0,0,0,0|3,0,0]=4 480 B14R1.153 NC(=O)C(F)Sc1cccc(c1F)O 62a_100009813875_100009817021 [0,1,0,0,0,0|3,0,0]=4 481 B14R1.153 NC(=O)C(F)Sc1cccc(c1F)O 62a_100009817021_100009813875 [0,1,0,0,0,0|3,0,0]=4 482 B14R1.153 NC(=O)C(F)Sc1cccc(c1N)O 62a_100009813875_100011934926 [0,1,0,0,0,0|3,0,0]=4 483 B14R1.153 NC(=O)C(F)Sc1cccc(c1O)O 62a_100009813875_100009815950 [0,1,0,0,0,0|3,0,0]=4 484 B14R1.153 Nc1c(cccc1SC(F)C(=O)[O-])O 62a_100020610796_100011934926 [0,1,0,0,0,0|2,0,1]=4 485 B14R1.153 O=C([O-])C(F)Nc1cccc(c1Br)O 34a_100012183704_100020610796 [0,1,0,0,0,0|2,0,1]=4 486 B14R1.153 O=C([O-])C(F)Nc1cccc(c1Cl)O 34a_100012002038_100020610796 [0,1,0,0,0,0|2,0,1]=4 487 B14R1.153 O=C([O-])C(F)Sc1cccc(c1Br)O 62a_100010187914_100020610796 [0,1,0,0,0,0|2,0,1]=4 488 B14R1.153 O=C([O-])C(F)Sc1cccc(c1Br)O 62a_100020610796_100010187914 [0,1,0,0,0,0|2,0,1]=4 489 B14R1.153 O=C([O-])C(F)Sc1cccc(c1Cl)O 62a_100020610796_100000049636 [0,1,0,0,0,0|2,0,1]=4 490 B14R1.153 O=C([O-])C(F)Sc1cccc(c1F)O 62a_100009817021_100020610796 [0,1,0,0,0,0|2,0,1]=4 491 B14R1.153 O=C([O-])C(F)Sc1cccc(c1F)O 62a_100020610796_100009817021 [0,1,0,0,0,0|2,0,1]=4 492 B14R1.153 O=C([O-])C(F)Sc1cccc(c1O)O 62a_100020610796_100009815950 [0,1,0,0,0,0|2,0,1]=4 493 B14R1.542 CC(=O)C(Cc1cccc(c1)Cl)S[13CH3] 62a_200009990483_200025704644 [0,1,0,0,0,0|3,0,0]=4 494 B14R1.542 CC(=O)C(Cc1cccc(c1)Cl)S[13CH3] 62a_200025704644_200009990483 [0,1,0,0,0,0|3,0,0]=4 495 B14R1.542 CCC(Nc1cccc(c1)O)C(=O)N 34a_100000210217_100000750255 [0,1,0,0,0,0|3,0,0]=4 496 B14R1.542 CCC(Sc1cccc(c1)O)C(=O)N 62a_100000750255_100000211634 [0,1,0,0,0,0|3,0,0]=4 497 B14R1.542 CCN(Cc1cccc(c1)O)C(=O)C 1626a_100000201218_100015343762 [0,1,0,0,0,0|3,0,0]=4 498 B14R1.542 CCN(Cc1cccc(c1)O)C(=O)C 240690a_100000201218_100015343762 [0,1,0,0,0,0|3,0,0]=4 499 B14R1.542 CCN(Cc1cccc(c1)O)C(=O)C 527a_100000201218_100103153847 [0,1,0,0,0,0|3,0,0]=4 500 B14R1.542 CNC(Cc1cccc(c1)Cl)C(=O)C 34a_100102657272_200009990483 [0,1,0,0,0,0|2,0,0]=3 501 B14R1.542 CNC(Cc1cccc(c1)Cl)C(=O)C 7a_106832991635_200009990483 [0,1,0,0,0,0|2,0,0]=3 502 B14R1.542 CNC(Cc1cccc(c1)Cl)C(=O)O 269956a_100000685206_200000210301 [0,1,0,0,0,0|1,0,0]=2 503 B14R1.542 CNC(Cc1cccc(c1)F)C(=O)O 269956a_100102707141_200000210301 [0,1,0,0,0,0|1,0,0]=2 504 B14R1.542 COC(Cc1cccc(c1)Cl)C(=O)C 34a_100138415774_200009990483 [0,1,0,0,0,0|3,0,0]=4 505 B14R1.542 CSC(Cc1cccc(c1)Cl)C(=O)C 62a_200000210301_200009990483 [0,1,0,0,0,0|3,0,0]=4 506 B14R1.542 CSC(Cc1cccc(c1)Cl)C(=O)C 62a_200009990483_200000210301 [0,1,0,0,0,0|3,0,0]=4 507 B14R1.542 [13CH3]NC(Cc1cccc(c1)Cl)C(=O)O 269956a_100000685206_200025704644 [0,1,0,0,0,0|1,0,0]=2 508 B14R1.542 [13CH3]NC(Cc1cccc(c1)F)C(=O)O 269956a_100102707141_200025704644 [0,1,0,0,0,0|1,0,0]=2 509 B14R1.686 CC(=O)C(C)Nc1ccc(c(c1)O)C 7a_100000759471_100000179758 [0,1,0,0,0,0|3,0,0]=4 510 B14R1.686 CC(=O)C(C)Nc1ccc(c(c1)O)F 7a_100012017398_100000179758 [0,1,0,0,0,0|3,0,0]=4 511 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)Br 62a_100009814033_100012356990 [0,1,0,0,0,0|3,0,0]=4 512 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)Br 62a_100012356990_100009814033 [0,1,0,0,0,0|3,0,0]=4 513 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)C 62a_100000685420_100009814033 [0,1,0,0,0,0|3,0,0]=4 514 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)C 62a_100009814033_100000685420 [0,1,0,0,0,0|3,0,0]=4 515 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)Cl 62a_100009814033_100011356854 [0,1,0,0,0,0|3,0,0]=4 516 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)Cl 62a_100011356854_100009814033 [0,1,0,0,0,0|3,0,0]=4 517 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)F 62a_100000686035_100009814033 [0,1,0,0,0,0|3,0,0]=4 518 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)F 62a_100009814033_100000686035 [0,1,0,0,0,0|3,0,0]=4 519 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)N 62a_100000739049_100009814033 [0,1,0,0,0,0|3,0,0]=4 520 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)N 62a_100009814033_100000739049 [0,1,0,0,0,0|3,0,0]=4 521 B14R1.686 CC(=O)C(C)Sc1ccc(c(c1)O)O 62a_100009814033_100009813601 [0,1,0,0,0,0|3,0,0]=4 522 B14R1.686 CC(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_200000210301 [0,1,0,0,0,0|2,0,0]=3 523 B14R1.686 CC(=O)N(C)Cc1ccc(c(c1)O)O 240690a_100020587154_100015343762 [0,1,0,0,0,0|3,0,0]=4 524 B14R1.686 CC(Nc1ccc(c(c1)O)Cl)C(=O)N 34a_100011934209_100000702099 [0,1,0,0,0,0|3,0,0]=4 525 B14R1.686 CC(Nc1ccc(c(c1)O)F)C(=O)N 34a_100012017398_100000702099 [0,1,0,0,0,0|3,0,0]=4 526 B14R1.686 CC(Nc1ccc(c(c1)O)F)C(=O)N 7a_100012017398_100000702099 [0,1,0,0,0,0|3,0,0]=4 527 B14R1.686 CC(Nc1ccc(c(c1)O)O)C(=O)N 34a_100102946323_100000702099 [0,1,0,0,0,0|3,0,0]=4 528 B14R1.686 CC(Sc1ccc(c(c1)O)Br)C(=O)N 62a_100000702099_100012356990 [0,1,0,0,0,0|3,0,0]=4 529 B14R1.686 CC(Sc1ccc(c(c1)O)Br)C(=O)N 62a_100012356990_100000702099 [0,1,0,0,0,0|3,0,0]=4 530 B14R1.686 CC(Sc1ccc(c(c1)O)Cl)C(=O)N 62a_100000702099_100011356854 [0,1,0,0,0,0|3,0,0]=4 531 B14R1.686 CC(Sc1ccc(c(c1)O)Cl)C(=O)N 62a_100011356854_100000702099 [0,1,0,0,0,0|3,0,0]=4 532 B14R1.686 CC(Sc1ccc(c(c1)O)F)C(=O)N 62a_100000686035_100000702099 [0,1,0,0,0,0|3,0,0]=4 533 B14R1.686 CC(Sc1ccc(c(c1)O)F)C(=O)N 62a_100000702099_100000686035 [0,1,0,0,0,0|3,0,0]=4 534 B14R1.686 CC(Sc1ccc(c(c1)O)N)C(=O)N 62a_100000702099_100000739049 [0,1,0,0,0,0|3,0,0]=4 535 B14R1.686 CC(Sc1ccc(c(c1)O)N)C(=O)N 62a_100000739049_100000702099 [0,1,0,0,0,0|3,0,0]=4 536 B14R1.686 CC(Sc1ccc(c(c1)O)O)C(=O)N 62a_100000702099_100009813601 [0,1,0,0,0,0|3,0,0]=4 537 B14R1.686 Cc1ccc(cc1O)NC(C)C(=O)N 34a_100000759471_100000702099 [0,1,0,0,0,0|3,0,0]=4 538 B14R1.686 Cc1ccc(cc1O)NC(C)C(=O)N 7a_100000759471_100000702099 [0,1,0,0,0,0|3,0,0]=4 539 B14R1.686 Cc1ccc(cc1O)NC(F)C(=O)N 34a_100000759471_100009813875 [0,1,0,0,0,0|3,0,0]=4 540 B14R1.686 Cc1ccc(cc1O)NC(F)C(=O)N 7a_100000759471_100009813875 [0,1,0,0,0,0|3,0,0]=4 541 B14R1.686 Cc1ccc(cc1O)NC(F)C(=O)[O-] 34a_100000759471_100020610796 [0,1,0,0,0,0|2,0,1]=4 542 B14R1.686 Cc1ccc(cc1O)SC(C)C(=O)N 62a_100000685420_100000702099 [0,1,0,0,0,0|3,0,0]=4 543 B14R1.686 Cc1ccc(cc1O)SC(C)C(=O)N 62a_100000702099_100000685420 [0,1,0,0,0,0|3,0,0]=4 544 B14R1.686 Cc1ccc(cc1O)SC(F)C(=O)N 62a_100000685420_100009813875 [0,1,0,0,0,0|3,0,0]=4 545 B14R1.686 Cc1ccc(cc1O)SC(F)C(=O)N 62a_100009813875_100000685420 [0,1,0,0,0,0|3,0,0]=4 546 B14R1.686 Cc1ccc(cc1O)SC(F)C(=O)[O-] 62a_100000685420_100020610796 [0,1,0,0,0,0|2,0,1]=4 547 B14R1.686 Cc1ccc(cc1O)SC(F)C(=O)[O-] 62a_100020610796_100000685420 [0,1,0,0,0,0|2,0,1]=4 548 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)O)Cl 34a_100011934209_100009813875 [0,1,0,0,0,0|3,0,0]=4 549 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)O)F 34a_100012017398_100009813875 [0,1,0,0,0,0|3,0,0]=4 550 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)O)F 7a_100012017398_100009813875 [0,1,0,0,0,0|3,0,0]=4 551 B14R1.686 NC(=O)C(F)Nc1ccc(c(c1)O)O 34a_100102946323_100009813875 [0,1,0,0,0,0|3,0,0]=4 552 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)O)Br 62a_100009813875_100012356990 [0,1,0,0,0,0|3,0,0]=4 553 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)O)Br 62a_100012356990_100009813875 [0,1,0,0,0,0|3,0,0]=4 554 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)O)Cl 62a_100009813875_100011356854 [0,1,0,0,0,0|3,0,0]=4 555 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)O)Cl 62a_100011356854_100009813875 [0,1,0,0,0,0|3,0,0]=4 556 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)O)F 62a_100000686035_100009813875 [0,1,0,0,0,0|3,0,0]=4 557 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)O)F 62a_100009813875_100000686035 [0,1,0,0,0,0|3,0,0]=4 558 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)O)N 62a_100000739049_100009813875 [0,1,0,0,0,0|3,0,0]=4 559 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)O)N 62a_100009813875_100000739049 [0,1,0,0,0,0|3,0,0]=4 560 B14R1.686 NC(=O)C(F)Sc1ccc(c(c1)O)O 62a_100009813875_100009813601 [0,1,0,0,0,0|3,0,0]=4 561 B14R1.686 Nc1ccc(cc1O)SC(F)C(=O)[O-] 62a_100000739049_100020610796 [0,1,0,0,0,0|2,0,1]=4 562 B14R1.686 Nc1ccc(cc1O)SC(F)C(=O)[O-] 62a_100020610796_100000739049 [0,1,0,0,0,0|2,0,1]=4 563 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)O)Cl 34a_100011934209_100020610796 [0,1,0,0,0,0|2,0,1]=4 564 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)O)F 34a_100012017398_100020610796 [0,1,0,0,0,0|2,0,1]=4 565 B14R1.686 O=C([O-])C(F)Nc1ccc(c(c1)O)O 34a_100102946323_100020610796 [0,1,0,0,0,0|2,0,1]=4 566 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)O)Br 62a_100012356990_100020610796 [0,1,0,0,0,0|2,0,1]=4 567 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)O)Br 62a_100020610796_100012356990 [0,1,0,0,0,0|2,0,1]=4 568 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)O)Cl 62a_100011356854_100020610796 [0,1,0,0,0,0|2,0,1]=4 569 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)O)Cl 62a_100020610796_100011356854 [0,1,0,0,0,0|2,0,1]=4 570 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)O)F 62a_100000686035_100020610796 [0,1,0,0,0,0|2,0,1]=4 571 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)O)F 62a_100020610796_100000686035 [0,1,0,0,0,0|2,0,1]=4 572 B14R1.686 O=C([O-])C(F)Sc1ccc(c(c1)O)O 62a_100020610796_100009813601 [0,1,0,0,0,0|2,0,1]=4 573 B14R1.686 [13CH3]C(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_200025704644 [0,1,0,0,0,0|2,0,0]=3 574 B14R1.4257 CC(=O)C(C)Nc1cc(cc(c1)Cl)O 7a_100000123917_100000179758 [0,1,0,0,0,0|3,0,0]=4 575 B14R1.4257 CC(=O)C(C)Nc1cc(cc(c1)O)C 7a_100011995906_100000179758 [0,1,0,0,0,0|3,0,0]=4 576 B14R1.4257 CC(=O)C(C)Sc1cc(cc(c1)Br)O 62a_100009814033_100010068917 [0,1,0,0,0,0|3,0,0]=4 577 B14R1.4257 CC(=O)C(C)Sc1cc(cc(c1)Br)O 62a_100010068917_100009814033 [0,1,0,0,0,0|3,0,0]=4 578 B14R1.4257 CC(=O)C(C)Sc1cc(cc(c1)Cl)O 62a_100009814033_100010068924 [0,1,0,0,0,0|3,0,0]=4 579 B14R1.4257 CC(=O)C(C)Sc1cc(cc(c1)Cl)O 62a_100010068924_100009814033 [0,1,0,0,0,0|3,0,0]=4 580 B14R1.4257 CC(=O)C(C)Sc1cc(cc(c1)F)O 62a_100000688818_100009814033 [0,1,0,0,0,0|3,0,0]=4 581 B14R1.4257 CC(=O)C(C)Sc1cc(cc(c1)F)O 62a_100009814033_100000688818 [0,1,0,0,0,0|3,0,0]=4 582 B14R1.4257 CC(=O)C(C)Sc1cc(cc(c1)O)C 62a_100009814033_100011999630 [0,1,0,0,0,0|3,0,0]=4 583 B14R1.4257 CC(=O)C(C)Sc1cc(cc(c1)O)O 62a_100009814033_100009868816 [0,1,0,0,0,0|3,0,0]=4 584 B14R1.4257 CC(Nc1cc(cc(c1)Cl)O)C(=O)N 34a_100000123917_100000702099 [0,1,0,0,0,0|3,0,0]=4 585 B14R1.4257 CC(Nc1cc(cc(c1)Cl)O)C(=O)N 7a_100000123917_100000702099 [0,1,0,0,0,0|3,0,0]=4 586 B14R1.4257 CC(Nc1cc(cc(c1)O)O)C(=O)N 34a_100000043371_100000702099 [0,1,0,0,0,0|3,0,0]=4 587 B14R1.4257 CC(Sc1cc(cc(c1)Br)O)C(=O)N 62a_100000702099_100010068917 [0,1,0,0,0,0|3,0,0]=4 588 B14R1.4257 CC(Sc1cc(cc(c1)Br)O)C(=O)N 62a_100010068917_100000702099 [0,1,0,0,0,0|3,0,0]=4 589 B14R1.4257 CC(Sc1cc(cc(c1)Cl)O)C(=O)N 62a_100000702099_100010068924 [0,1,0,0,0,0|3,0,0]=4 590 B14R1.4257 CC(Sc1cc(cc(c1)Cl)O)C(=O)N 62a_100010068924_100000702099 [0,1,0,0,0,0|3,0,0]=4 591 B14R1.4257 CC(Sc1cc(cc(c1)F)O)C(=O)N 62a_100000688818_100000702099 [0,1,0,0,0,0|3,0,0]=4 592 B14R1.4257 CC(Sc1cc(cc(c1)F)O)C(=O)N 62a_100000702099_100000688818 [0,1,0,0,0,0|3,0,0]=4 593 B14R1.4257 CC(Sc1cc(cc(c1)O)O)C(=O)N 62a_100000702099_100009868816 [0,1,0,0,0,0|3,0,0]=4 594 B14R1.4257 Cc1cc(cc(c1)NC(C)C(=O)N)O 34a_100011995906_100000702099 [0,1,0,0,0,0|3,0,0]=4 595 B14R1.4257 Cc1cc(cc(c1)NC(C)C(=O)N)O 7a_100011995906_100000702099 [0,1,0,0,0,0|3,0,0]=4 596 B14R1.4257 Cc1cc(cc(c1)NC(F)C(=O)N)O 34a_100011995906_100009813875 [0,1,0,0,0,0|3,0,0]=4 597 B14R1.4257 Cc1cc(cc(c1)NC(F)C(=O)N)O 7a_100011995906_100009813875 [0,1,0,0,0,0|3,0,0]=4 598 B14R1.4257 Cc1cc(cc(c1)NC(F)C(=O)[O-])O 34a_100011995906_100020610796 [0,1,0,0,0,0|2,0,1]=4 599 B14R1.4257 Cc1cc(cc(c1)SC(C)C(=O)N)O 62a_100000702099_100011999630 [0,1,0,0,0,0|3,0,0]=4 600 B14R1.4257 Cc1cc(cc(c1)SC(F)C(=O)N)O 62a_100009813875_100011999630 [0,1,0,0,0,0|3,0,0]=4 601 B14R1.4257 Cc1cc(cc(c1)SC(F)C(=O)[O-])O 62a_100020610796_100011999630 [0,1,0,0,0,0|2,0,1]=4 602 B14R1.4257 NC(=O)C(F)Nc1cc(cc(c1)Cl)O 34a_100000123917_100009813875 [0,1,0,0,0,0|3,0,0]=4 603 B14R1.4257 NC(=O)C(F)Nc1cc(cc(c1)Cl)O 7a_100000123917_100009813875 [0,1,0,0,0,0|3,0,0]=4 604 B14R1.4257 NC(=O)C(F)Nc1cc(cc(c1)O)O 34a_100000043371_100009813875 [0,1,0,0,0,0|3,0,0]=4 605 B14R1.4257 NC(=O)C(F)Sc1cc(cc(c1)Br)O 62a_100009813875_100010068917 [0,1,0,0,0,0|3,0,0]=4 606 B14R1.4257 NC(=O)C(F)Sc1cc(cc(c1)Br)O 62a_100010068917_100009813875 [0,1,0,0,0,0|3,0,0]=4 607 B14R1.4257 NC(=O)C(F)Sc1cc(cc(c1)Cl)O 62a_100009813875_100010068924 [0,1,0,0,0,0|3,0,0]=4 608 B14R1.4257 NC(=O)C(F)Sc1cc(cc(c1)Cl)O 62a_100010068924_100009813875 [0,1,0,0,0,0|3,0,0]=4 609 B14R1.4257 NC(=O)C(F)Sc1cc(cc(c1)F)O 62a_100000688818_100009813875 [0,1,0,0,0,0|3,0,0]=4 610 B14R1.4257 NC(=O)C(F)Sc1cc(cc(c1)F)O 62a_100009813875_100000688818 [0,1,0,0,0,0|3,0,0]=4 611 B14R1.4257 NC(=O)C(F)Sc1cc(cc(c1)O)O 62a_100009813875_100009868816 [0,1,0,0,0,0|3,0,0]=4 612 B14R1.4257 O=C([O-])C(F)Nc1cc(cc(c1)Cl)O 34a_100000123917_100020610796 [0,1,0,0,0,0|2,0,1]=4 613 B14R1.4257 O=C([O-])C(F)Nc1cc(cc(c1)O)O 34a_100000043371_100020610796 [0,1,0,0,0,0|2,0,1]=4 614 B14R1.4257 O=C([O-])C(F)Sc1cc(cc(c1)Br)O 62a_100010068917_100020610796 [0,1,0,0,0,0|2,0,1]=4 615 B14R1.4257 O=C([O-])C(F)Sc1cc(cc(c1)Br)O 62a_100020610796_100010068917 [0,1,0,0,0,0|2,0,1]=4 616 B14R1.4257 O=C([O-])C(F)Sc1cc(cc(c1)Cl)O 62a_100010068924_100020610796 [0,1,0,0,0,0|2,0,1]=4 617 B14R1.4257 O=C([O-])C(F)Sc1cc(cc(c1)Cl)O 62a_100020610796_100010068924 [0,1,0,0,0,0|2,0,1]=4 618 B14R1.4257 O=C([O-])C(F)Sc1cc(cc(c1)F)O 62a_100000688818_100020610796 [0,1,0,0,0,0|2,0,1]=4 619 B14R1.4257 O=C([O-])C(F)Sc1cc(cc(c1)F)O 62a_100020610796_100000688818 [0,1,0,0,0,0|2,0,1]=4 620 B14R1.4257 O=C([O-])C(F)Sc1cc(cc(c1)O)O 62a_100020610796_100009868816 [0,1,0,0,0,0|2,0,1]=4 621 B14R1.4404 CC(=O)C(C)(C)Cc1cccc(c1)Br 1458a_200011736070_200000210301 [0,1,0,0,0,0|3,0,0]=4 622 B14R1.4404 CC(=O)C(C)(C)Sc1cccc(c1)O 62a_100000075568_100000211634 [0,1,0,0,0,0|3,0,0]=4 623 B14R1.4404 CC(C)(Cc1cccc(c1)Br)C(=O)[13CH3] 1458a_200011736070_200025704644 [0,1,0,0,0,0|3,0,0]=4 624 B14R1.4404 CC(C)(Nc1cccc(c1)O)C(=O)N 34a_100000210217_100000702505 [0,1,0,0,0,0|3,0,0]=4 625 B14R1.4404 CC(C)(Sc1cccc(c1)O)C(=O)N 62a_100000702505_100000211634 [0,1,0,0,0,0|3,0,0]=4 626 B14R1.4404 NC(=O)C(F)(F)Sc1cccc(c1)O 62a_100009811971_100000211634 [0,1,0,0,0,0|3,0,0]=4 627 B14R1.4404 O=C([O-])C(F)(F)Nc1cccc(c1)O 34a_100000210217_100020612412 [0,1,0,0,0,0|2,0,1]=4 628 B14R1.4404 O=C([O-])C(F)(F)Sc1cccc(c1)O 62a_100000745680_100000211634 [0,1,0,0,0,0|2,0,1]=4 629 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1Br)O 62a_100009814033_100012339312 [0,1,0,0,0,0|3,0,0]=4 630 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1Br)O 62a_100012339312_100009814033 [0,1,0,0,0,0|3,0,0]=4 631 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1C)O 62a_100009814033_100011380479 [0,1,0,0,0,0|3,0,0]=4 632 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1C)O 62a_100011380479_100009814033 [0,1,0,0,0,0|3,0,0]=4 633 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1Cl)O 62a_100000049588_100009814033 [0,1,0,0,0,0|3,0,0]=4 634 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1Cl)O 62a_100009814033_100000049588 [0,1,0,0,0,0|3,0,0]=4 635 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1F)O 62a_100000693481_100009814033 [0,1,0,0,0,0|3,0,0]=4 636 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1F)O 62a_100009814033_100000693481 [0,1,0,0,0,0|3,0,0]=4 637 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1N)O 62a_100009814033_100012001276 [0,1,0,0,0,0|3,0,0]=4 638 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1N)O 62a_100012001276_100009814033 [0,1,0,0,0,0|3,0,0]=4 639 B14R1.4474 CC(=O)C(C)Sc1cc(ccc1O)O 62a_100009814033_100009813629 [0,1,0,0,0,0|3,0,0]=4 640 B14R1.4474 CC(Nc1cc(ccc1Br)O)C(=O)N 34a_100011999798_100000702099 [0,1,0,0,0,0|3,0,0]=4 641 B14R1.4474 CC(Nc1cc(ccc1Cl)O)C(=O)N 34a_100011934297_100000702099 [0,1,0,0,0,0|3,0,0]=4 642 B14R1.4474 CC(Nc1cc(ccc1F)O)C(=O)N 34a_100012017239_100000702099 [0,1,0,0,0,0|3,0,0]=4 643 B14R1.4474 CC(Sc1cc(ccc1Br)O)C(=O)N 62a_100000702099_100012339312 [0,1,0,0,0,0|3,0,0]=4 644 B14R1.4474 CC(Sc1cc(ccc1Br)O)C(=O)N 62a_100012339312_100000702099 [0,1,0,0,0,0|3,0,0]=4 645 B14R1.4474 CC(Sc1cc(ccc1Cl)O)C(=O)N 62a_100000049588_100000702099 [0,1,0,0,0,0|3,0,0]=4 646 B14R1.4474 CC(Sc1cc(ccc1Cl)O)C(=O)N 62a_100000702099_100000049588 [0,1,0,0,0,0|3,0,0]=4 647 B14R1.4474 CC(Sc1cc(ccc1F)O)C(=O)N 62a_100000693481_100000702099 [0,1,0,0,0,0|3,0,0]=4 648 B14R1.4474 CC(Sc1cc(ccc1F)O)C(=O)N 62a_100000702099_100000693481 [0,1,0,0,0,0|3,0,0]=4 649 B14R1.4474 CC(Sc1cc(ccc1N)O)C(=O)N 62a_100000702099_100012001276 [0,1,0,0,0,0|3,0,0]=4 650 B14R1.4474 CC(Sc1cc(ccc1N)O)C(=O)N 62a_100012001276_100000702099 [0,1,0,0,0,0|3,0,0]=4 651 B14R1.4474 CC(Sc1cc(ccc1O)O)C(=O)N 62a_100000702099_100009813629 [0,1,0,0,0,0|3,0,0]=4 652 B14R1.4474 Cc1ccc(cc1NC(C)C(=O)N)O 34a_100011216113_100000702099 [0,1,0,0,0,0|3,0,0]=4 653 B14R1.4474 Cc1ccc(cc1NC(F)C(=O)N)O 34a_100011216113_100009813875 [0,1,0,0,0,0|3,0,0]=4 654 B14R1.4474 Cc1ccc(cc1NC(F)C(=O)[O-])O 34a_100011216113_100020610796 [0,1,0,0,0,0|2,0,1]=4 655 B14R1.4474 Cc1ccc(cc1SC(C)C(=O)N)O 62a_100000702099_100011380479 [0,1,0,0,0,0|3,0,0]=4 656 B14R1.4474 Cc1ccc(cc1SC(C)C(=O)N)O 62a_100011380479_100000702099 [0,1,0,0,0,0|3,0,0]=4 657 B14R1.4474 Cc1ccc(cc1SC(F)C(=O)N)O 62a_100009813875_100011380479 [0,1,0,0,0,0|3,0,0]=4 658 B14R1.4474 Cc1ccc(cc1SC(F)C(=O)N)O 62a_100011380479_100009813875 [0,1,0,0,0,0|3,0,0]=4 659 B14R1.4474 Cc1ccc(cc1SC(F)C(=O)[O-])O 62a_100011380479_100020610796 [0,1,0,0,0,0|2,0,1]=4 660 B14R1.4474 Cc1ccc(cc1SC(F)C(=O)[O-])O 62a_100020610796_100011380479 [0,1,0,0,0,0|2,0,1]=4 661 B14R1.4474 NC(=O)C(F)Nc1cc(ccc1Br)O 34a_100011999798_100009813875 [0,1,0,0,0,0|3,0,0]=4 662 B14R1.4474 NC(=O)C(F)Nc1cc(ccc1Cl)O 34a_100011934297_100009813875 [0,1,0,0,0,0|3,0,0]=4 663 B14R1.4474 NC(=O)C(F)Nc1cc(ccc1F)O 34a_100012017239_100009813875 [0,1,0,0,0,0|3,0,0]=4 664 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1Br)O 62a_100009813875_100012339312 [0,1,0,0,0,0|3,0,0]=4 665 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1Br)O 62a_100012339312_100009813875 [0,1,0,0,0,0|3,0,0]=4 666 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1Cl)O 62a_100000049588_100009813875 [0,1,0,0,0,0|3,0,0]=4 667 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1Cl)O 62a_100009813875_100000049588 [0,1,0,0,0,0|3,0,0]=4 668 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1F)O 62a_100000693481_100009813875 [0,1,0,0,0,0|3,0,0]=4 669 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1F)O 62a_100009813875_100000693481 [0,1,0,0,0,0|3,0,0]=4 670 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1N)O 62a_100009813875_100012001276 [0,1,0,0,0,0|3,0,0]=4 671 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1N)O 62a_100012001276_100009813875 [0,1,0,0,0,0|3,0,0]=4 672 B14R1.4474 NC(=O)C(F)Sc1cc(ccc1O)O 62a_100009813875_100009813629 [0,1,0,0,0,0|3,0,0]=4 673 B14R1.4474 Nc1ccc(cc1SC(F)C(=O)[O-])O 62a_100012001276_100020610796 [0,1,0,0,0,0|2,0,1]=4 674 B14R1.4474 Nc1ccc(cc1SC(F)C(=O)[O-])O 62a_100020610796_100012001276 [0,1,0,0,0,0|2,0,1]=4 675 B14R1.4474 O=C([O-])C(F)Nc1cc(ccc1Br)O 34a_100011999798_100020610796 [0,1,0,0,0,0|2,0,1]=4 676 B14R1.4474 O=C([O-])C(F)Nc1cc(ccc1Cl)O 34a_100011934297_100020610796 [0,1,0,0,0,0|2,0,1]=4 677 B14R1.4474 O=C([O-])C(F)Nc1cc(ccc1F)O 34a_100012017239_100020610796 [0,1,0,0,0,0|2,0,1]=4 678 B14R1.4474 O=C([O-])C(F)Sc1cc(ccc1Br)O 62a_100012339312_100020610796 [0,1,0,0,0,0|2,0,1]=4 679 B14R1.4474 O=C([O-])C(F)Sc1cc(ccc1Br)O 62a_100020610796_100012339312 [0,1,0,0,0,0|2,0,1]=4 680 B14R1.4474 O=C([O-])C(F)Sc1cc(ccc1Cl)O 62a_100000049588_100020610796 [0,1,0,0,0,0|2,0,1]=4 681 B14R1.4474 O=C([O-])C(F)Sc1cc(ccc1Cl)O 62a_100020610796_100000049588 [0,1,0,0,0,0|2,0,1]=4 682 B14R1.4474 O=C([O-])C(F)Sc1cc(ccc1F)O 62a_100000693481_100020610796 [0,1,0,0,0,0|2,0,1]=4 683 B14R1.4474 O=C([O-])C(F)Sc1cc(ccc1F)O 62a_100020610796_100000693481 [0,1,0,0,0,0|2,0,1]=4 684 B14R1.4474 O=C([O-])C(F)Sc1cc(ccc1O)O 62a_100020610796_100009813629 [0,1,0,0,0,0|2,0,1]=4 685 B14R2.270 O=C1CCC1Nc2cccc(c2)O 34a_100000210217_100009892977 [0,0,0,1,0,0|3,0,0]=4 686 B14R2.270 O=C1CCC1Sc2cccc(c2)O 62a_100009892977_100000211634 [0,0,0,1,0,0|3,0,0]=4 687 B14R2.4476 CC(=O)C1CC1c2cccc(c2)Br 1458a_100000747823_200000210301 [0,0,0,1,0,0|3,0,0]=4 688 B14R2.4476 [13CH3]C(=O)C1CC1c2cccc(c2)Br 1458a_100000747823_200025704644 [0,0,0,1,0,0|3,0,0]=4 689 B14R2.4529 CC(=O)C1Cc2cc(ccc2O1)O 1458a_200009830173_200000210301 [0,0,0,1,0,0|2,0,0]=3 690 B14R2.4529 CC(=O)N1Cc2ccc(cc2C1)O 240690a_100015195982_100015343762 [0,0,0,1,0,0|3,0,0]=4 691 B14R2.4529 CC(=O)N1Cc2ccc(cc2C1)O 271570a_203496583355_200015237658 [0,0,0,1,0,0|3,0,0]=4 692 B14R2.4529 CC(=O)N1Cc2ccc(cc2C1)O 527a_100015195982_100103153847 [0,0,0,1,0,0|3,0,0]=4 693 B14R2.4529 NC(=O)c1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009814496 [0,0,0,1,0,0|1,0,2]=4 694 B14R2.4529 [13CH3]C(=O)C1Cc2cc(ccc2O1)O 1458a_200009830173_200025704644 [0,0,0,1,0,0|2,0,0]=3 695 B14R2.7969 CC(=O)C1Cc2cccc(c2C1)Br 1458a_100010332549_200000210301 [0,0,0,1,0,0|3,0,0]=4 696 B14R2.7969 CC(=O)N1Cc2cccc(c2C1)O 240690a_100015191671_100015343762 [0,0,0,1,0,0|3,0,0]=4 697 B14R2.7969 CC(=O)N1Cc2cccc(c2C1)O 527a_100015191671_100103153847 [0,0,0,1,0,0|3,0,0]=4 698 B14R2.7969 [13CH3]C(=O)C1Cc2cccc(c2C1)Br 1458a_100010332549_200025704644 [0,0,0,1,0,0|3,0,0]=4 699 B14R2.8239 CN1Cc2cc(ccc2NC1=O)O 271570a_203496583355_100000188780 [0,0,0,1,0,0|3,0,0]=4 700 B14R2.8239 CN1Cc2cc(ccc2OC1=O)O 271570a_203496583355_100015193643 [0,0,0,1,0,0|2,0,0]=3 701 B12R1.225 CC(=O)C(C)c1cccc(c1)Br 1458a_100000722698_200000210301 [0,0,0,0,1,0|3,0,0]=4 702 B12R1.225 CC(=O)C(C)c1cccc(c1)Cl 1458a_100000762818_200000210301 [0,0,0,0,1,0|3,0,0]=4 703 B12R1.225 CC(=O)C(C)c1cccc(c1)F 1458a_100000762896_200000210301 [0,0,0,0,1,0|3,0,0]=4 704 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [0,0,0,0,1,0|3,0,0]=4 705 B12R1.225 CC(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200000210301 [0,0,0,0,1,0|3,0,0]=4 706 B12R1.225 CC(=O)C(O)c1cccc(c1)F 1458a_100011434943_200000210301 [0,0,0,0,1,0|3,0,0]=4 707 B12R1.225 CC(=O)N(C)c1cccc(c1)O 527a_100000756613_100103153847 [0,0,0,0,1,0|3,0,0]=4 708 B12R1.225 CC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_200000210301 [0,0,0,0,1,0|3,0,0]=4 709 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Br 1458a_100000722698_200025704644 [0,0,0,0,1,0|3,0,0]=4 710 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)Cl 1458a_100000762818_200025704644 [0,0,0,0,1,0|3,0,0]=4 711 B12R1.225 CC(C(=O)[13CH3])c1cccc(c1)F 1458a_100000762896_200025704644 [0,0,0,0,1,0|3,0,0]=4 712 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [0,0,0,0,1,0|3,0,0]=4 713 B12R1.225 Cc1cccc(c1)[C@@H](C)C(=O)[13CH3] 1458a_200009911544_200025704644 [0,0,0,0,1,0|3,0,0]=4 714 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)Cl 1458a_100011216955_200025704644 [0,0,0,0,1,0|3,0,0]=4 715 B12R1.225 [13CH3]C(=O)C(O)c1cccc(c1)F 1458a_100011434943_200025704644 [0,0,0,0,1,0|3,0,0]=4 716 B14R1.5956 C=C(C)C(C)NCc1cccc(c1)O 269862a_100000743036_100011216138 [0,0,0,0,0,1|3,0,0]=4 717 B14R1.5956 CC(=O)C(=O)CNc1cccc(c1)O 34a_100000210217_100011261029 [0,0,0,0,0,1|2,0,1]=4 718 B14R1.5956 CC(=O)C(=O)CSc1cccc(c1)O 62a_100011261029_100000211634 [0,0,0,0,0,1|2,0,1]=4 719 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)Br 2230a_100000174977_100009814033 [0,0,0,0,0,1|3,0,0]=4 720 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)C 2230a_100000185548_100009814033 [0,0,0,0,0,1|3,0,0]=4 721 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)Cl 2230a_100000174878_100009814033 [0,0,0,0,0,1|3,0,0]=4 722 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)F 2230a_100000174948_100009814033 [0,0,0,0,0,1|3,0,0]=4 723 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)I 2230a_100000106179_100009814033 [0,0,0,0,0,1|3,0,0]=4 724 B14R1.5956 CC(=O)C(C)NCc1cccc(c1)O 2230a_100000743036_100009814033 [0,0,0,0,0,1|2,0,0]=3 725 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)Br 34a_100000212229_100000698116 [0,0,0,0,0,1|3,0,0]=4 726 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)Br 7a_100000687537_100000179758 [0,0,0,0,0,1|3,0,0]=4 727 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)C 34a_100000212229_100000211840 [0,0,0,0,0,1|3,0,0]=4 728 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)C 7a_100011217746_100000179758 [0,0,0,0,0,1|3,0,0]=4 729 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)Cl 34a_100000212229_100000187163 [0,0,0,0,0,1|3,0,0]=4 730 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)Cl 7a_100000241301_100000179758 [0,0,0,0,0,1|3,0,0]=4 731 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)F 34a_100000212229_100000187166 [0,0,0,0,0,1|3,0,0]=4 732 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)F 7a_100000210976_100000179758 [0,0,0,0,0,1|3,0,0]=4 733 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)I 34a_100000212229_100011218688 [0,0,0,0,0,1|3,0,0]=4 734 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)I 7a_100011215336_100000179758 [0,0,0,0,0,1|3,0,0]=4 735 B14R1.5956 CC(=O)C(C)OCc1cccc(c1)O 34a_100000212229_100011660834 [0,0,0,0,0,1|2,0,0]=3 736 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)Br 62a_100000211773_100009814033 [0,0,0,0,0,1|3,0,0]=4 737 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)Br 62a_100009814033_100000211773 [0,0,0,0,0,1|3,0,0]=4 738 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)C 62a_100000211840_100009814033 [0,0,0,0,0,1|3,0,0]=4 739 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)C 62a_100009814033_100000211840 [0,0,0,0,0,1|3,0,0]=4 740 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)Cl 62a_100000187163_100009814033 [0,0,0,0,0,1|3,0,0]=4 741 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)Cl 62a_100009814033_100000187163 [0,0,0,0,0,1|3,0,0]=4 742 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)F 62a_100000230114_100009814033 [0,0,0,0,0,1|3,0,0]=4 743 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)F 62a_100009814033_100000230114 [0,0,0,0,0,1|3,0,0]=4 744 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)I 62a_100009814033_100011218688 [0,0,0,0,0,1|3,0,0]=4 745 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)I 62a_100011218688_100009814033 [0,0,0,0,0,1|3,0,0]=4 746 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)O 62a_100009814033_100011660834 [0,0,0,0,0,1|2,0,0]=3 747 B14R1.5956 CC(=O)C(C)SCc1cccc(c1)O 62a_100011660834_100009814033 [0,0,0,0,0,1|2,0,0]=3 748 B14R1.5956 CC(NCc1cccc(c1)Br)C(=O)N 2230a_100000174977_100000702099 [0,0,0,0,0,1|3,0,0]=4 749 B14R1.5956 CC(NCc1cccc(c1)Br)C(=O)N 34a_100000174977_100000702099 [0,0,0,0,0,1|3,0,0]=4 750 B14R1.5956 CC(NCc1cccc(c1)Cl)C(=O)N 2230a_100000174878_100000702099 [0,0,0,0,0,1|3,0,0]=4 751 B14R1.5956 CC(NCc1cccc(c1)Cl)C(=O)N 34a_100000174878_100000702099 [0,0,0,0,0,1|3,0,0]=4 752 B14R1.5956 CC(NCc1cccc(c1)F)C(=O)N 2230a_100000174948_100000702099 [0,0,0,0,0,1|3,0,0]=4 753 B14R1.5956 CC(NCc1cccc(c1)F)C(=O)N 34a_100000174948_100000702099 [0,0,0,0,0,1|3,0,0]=4 754 B14R1.5956 CC(NCc1cccc(c1)I)C(=O)N 2230a_100000106179_100000702099 [0,0,0,0,0,1|3,0,0]=4 755 B14R1.5956 CC(NCc1cccc(c1)I)C(=O)N 34a_100000106179_100000702099 [0,0,0,0,0,1|3,0,0]=4 756 B14R1.5956 CC(NCc1cccc(c1)O)C(=O)N 2230a_100000743036_100000702099 [0,0,0,0,0,1|2,0,0]=3 757 B14R1.5956 CC(NCc1cccc(c1)O)C(=O)N 34a_100000743036_100000702099 [0,0,0,0,0,1|2,0,0]=3 758 B14R1.5956 CC(OCc1cccc(c1)Br)C(=O)N 34a_100000687537_100000702099 [0,0,0,0,0,1|3,0,0]=4 759 B14R1.5956 CC(OCc1cccc(c1)Br)C(=O)N 7a_100000687537_100000702099 [0,0,0,0,0,1|3,0,0]=4 760 B14R1.5956 CC(OCc1cccc(c1)Cl)C(=O)N 34a_100000241301_100000702099 [0,0,0,0,0,1|3,0,0]=4 761 B14R1.5956 CC(OCc1cccc(c1)Cl)C(=O)N 7a_100000241301_100000702099 [0,0,0,0,0,1|3,0,0]=4 762 B14R1.5956 CC(OCc1cccc(c1)F)C(=O)N 34a_100000210976_100000702099 [0,0,0,0,0,1|3,0,0]=4 763 B14R1.5956 CC(OCc1cccc(c1)F)C(=O)N 7a_100000210976_100000702099 [0,0,0,0,0,1|3,0,0]=4 764 B14R1.5956 CC(OCc1cccc(c1)I)C(=O)N 34a_100011215336_100000702099 [0,0,0,0,0,1|3,0,0]=4 765 B14R1.5956 CC(OCc1cccc(c1)I)C(=O)N 7a_100011215336_100000702099 [0,0,0,0,0,1|3,0,0]=4 766 B14R1.5956 CC(OCc1cccc(c1)N)C(=O)N 34a_100000211919_100000702099 [0,0,0,0,0,1|3,0,0]=4 767 B14R1.5956 CC(SCc1cccc(c1)Br)C(=O)N 62a_100000211773_100000702099 [0,0,0,0,0,1|3,0,0]=4 768 B14R1.5956 CC(SCc1cccc(c1)Br)C(=O)N 62a_100000702099_100000211773 [0,0,0,0,0,1|3,0,0]=4 769 B14R1.5956 CC(SCc1cccc(c1)Cl)C(=O)N 62a_100000187163_100000702099 [0,0,0,0,0,1|3,0,0]=4 770 B14R1.5956 CC(SCc1cccc(c1)Cl)C(=O)N 62a_100000702099_100000187163 [0,0,0,0,0,1|3,0,0]=4 771 B14R1.5956 CC(SCc1cccc(c1)F)C(=O)N 62a_100000230114_100000702099 [0,0,0,0,0,1|3,0,0]=4 772 B14R1.5956 CC(SCc1cccc(c1)F)C(=O)N 62a_100000702099_100000230114 [0,0,0,0,0,1|3,0,0]=4 773 B14R1.5956 CC(SCc1cccc(c1)I)C(=O)N 62a_100000702099_100011218688 [0,0,0,0,0,1|3,0,0]=4 774 B14R1.5956 CC(SCc1cccc(c1)I)C(=O)N 62a_100011218688_100000702099 [0,0,0,0,0,1|3,0,0]=4 775 B14R1.5956 CC(SCc1cccc(c1)O)C(=O)N 62a_100000702099_100011660834 [0,0,0,0,0,1|2,0,0]=3 776 B14R1.5956 CC(SCc1cccc(c1)O)C(=O)N 62a_100011660834_100000702099 [0,0,0,0,0,1|2,0,0]=3 777 B14R1.5956 C[C@@H](NCc1cccc(c1)Br)C(=O)N 2230a_100000119354_100000698116 [0,0,0,0,0,1|3,0,0]=4 778 B14R1.5956 C[C@@H](NCc1cccc(c1)Br)C(=O)N 270004a_100000119354_100000210085 [0,0,0,0,0,1|3,0,0]=4 779 B14R1.5956 C[C@@H](NCc1cccc(c1)Br)C(=O)N 34a_100000119354_100000698116 [0,0,0,0,0,1|3,0,0]=4 780 B14R1.5956 C[C@@H](NCc1cccc(c1)Cl)C(=O)N 2230a_100000119354_100000181238 [0,0,0,0,0,1|3,0,0]=4 781 B14R1.5956 C[C@@H](NCc1cccc(c1)Cl)C(=O)N 270004a_100000119354_100000210801 [0,0,0,0,0,1|3,0,0]=4 782 B14R1.5956 C[C@@H](NCc1cccc(c1)Cl)C(=O)N 34a_100000119354_100000187163 [0,0,0,0,0,1|3,0,0]=4 783 B14R1.5956 C[C@@H](NCc1cccc(c1)F)C(=O)N 2230a_100000119354_100000230114 [0,0,0,0,0,1|3,0,0]=4 784 B14R1.5956 C[C@@H](NCc1cccc(c1)F)C(=O)N 270004a_100000119354_100000210812 [0,0,0,0,0,1|3,0,0]=4 785 B14R1.5956 C[C@@H](NCc1cccc(c1)F)C(=O)N 34a_100000119354_100000187166 [0,0,0,0,0,1|3,0,0]=4 786 B14R1.5956 C[C@@H](NCc1cccc(c1)I)C(=O)N 2230a_100000119354_100011218688 [0,0,0,0,0,1|3,0,0]=4 787 B14R1.5956 C[C@@H](NCc1cccc(c1)I)C(=O)N 270004a_100000119354_100000014684 [0,0,0,0,0,1|3,0,0]=4 788 B14R1.5956 C[C@@H](NCc1cccc(c1)I)C(=O)N 34a_100000119354_100011218688 [0,0,0,0,0,1|3,0,0]=4 789 B14R1.5956 C[C@@H](NCc1cccc(c1)O)C(=O)N 2230a_100000119354_100011660834 [0,0,0,0,0,1|2,0,0]=3 790 B14R1.5956 C[C@@H](NCc1cccc(c1)O)C(=O)N 270004a_100000119354_100000188321 [0,0,0,0,0,1|2,0,0]=3 791 B14R1.5956 C[C@@H](NCc1cccc(c1)O)C(=O)N 34a_100000119354_100011660834 [0,0,0,0,0,1|2,0,0]=3 792 B14R1.5956 C[C@@H](NCc1cncc(c1)O)C(=O)N 270004a_100000119354_100012187055 [0,0,0,0,0,1|3,0,0]=4 793 B14R1.5956 C[C@@H](OCc1cccc(c1)Br)C(=O)N 34a_100000731257_100000698116 [0,0,0,0,0,1|3,0,0]=4 794 B14R1.5956 C[C@@H](OCc1cccc(c1)Br)C(=O)N 7a_100000731257_100000211773 [0,0,0,0,0,1|3,0,0]=4 795 B14R1.5956 C[C@@H](OCc1cccc(c1)Cl)C(=O)N 34a_100000731257_100000187163 [0,0,0,0,0,1|3,0,0]=4 796 B14R1.5956 C[C@@H](OCc1cccc(c1)Cl)C(=O)N 7a_100000731257_100000187163 [0,0,0,0,0,1|3,0,0]=4 797 B14R1.5956 C[C@@H](OCc1cccc(c1)F)C(=O)N 34a_100000731257_100000187166 [0,0,0,0,0,1|3,0,0]=4 798 B14R1.5956 C[C@@H](OCc1cccc(c1)F)C(=O)N 7a_100000731257_100000230114 [0,0,0,0,0,1|3,0,0]=4 799 B14R1.5956 C[C@@H](OCc1cccc(c1)I)C(=O)N 34a_100000731257_100011218688 [0,0,0,0,0,1|3,0,0]=4 800 B14R1.5956 C[C@@H](OCc1cccc(c1)I)C(=O)N 7a_100000731257_100011218688 [0,0,0,0,0,1|3,0,0]=4 801 B14R1.5956 C[C@@H](OCc1cccc(c1)O)C(=O)N 34a_100000731257_100011660834 [0,0,0,0,0,1|2,0,0]=3 802 B14R1.5956 C[C@@H](OCc1cccc(c1)O)C(=O)N 7a_100000731257_100000084143 [0,0,0,0,0,1|2,0,0]=3 803 B14R1.5956 C[C@H](NCc1cc(ccn1)Br)C(=O)O 269956a_100000743915_100010173614 [0,0,0,0,0,1|3,0,0]=4 804 B14R1.5956 C[C@H](NCc1cc(ccn1)Cl)C(=O)O 269956a_100000743915_100016988179 [0,0,0,0,0,1|3,0,0]=4 805 B14R1.5956 C[C@H](NCc1cccc(c1)Br)C(=O)O 269956a_100000743915_100000211773 [0,0,0,0,0,1|2,0,0]=3 806 B14R1.5956 C[C@H](NCc1cccc(c1)Cl)C(=O)O 269956a_100000743915_100000187163 [0,0,0,0,0,1|2,0,0]=3 807 B14R1.5956 C[C@H](NCc1cccc(c1)F)C(=O)O 269956a_100000743915_100000230114 [0,0,0,0,0,1|2,0,0]=3 808 B14R1.5956 C[C@H](NCc1cccc(c1)I)C(=O)O 269956a_100000743915_100011218688 [0,0,0,0,0,1|2,0,0]=3 809 B14R1.5956 C[C@H](NCc1cccc(c1)O)C(=O)O 269956a_100000743915_100011660834 [0,0,0,0,0,1|1,0,0]=2 810 B14R1.5956 C[C@H](NCc1cccc(n1)Br)C(=O)O 269956a_100000743915_100009889011 [0,0,0,0,0,1|3,0,0]=4 811 B14R1.5956 C[C@H](NCc1cccc(n1)Cl)C(=O)O 269956a_100000743915_100000086093 [0,0,0,0,0,1|3,0,0]=4 812 B14R1.5956 C[C@H](NCc1cccc(n1)F)C(=O)O 269956a_100000743915_100009819644 [0,0,0,0,0,1|3,0,0]=4 813 B14R1.5956 C[C@H](NCc1ccnc(c1)Br)C(=O)O 269956a_100000743915_100010254460 [0,0,0,0,0,1|3,0,0]=4 814 B14R1.5956 C[C@H](NCc1ccnc(c1)Cl)C(=O)O 269956a_100000743915_100000764220 [0,0,0,0,0,1|3,0,0]=4 815 B14R1.5956 C[C@H](NCc1cncc(c1)Br)C(=O)O 269956a_100000743915_100000738771 [0,0,0,0,0,1|3,0,0]=4 816 B14R1.5956 C[C@H](NCc1cncc(c1)Cl)C(=O)O 269956a_100000743915_100016992070 [0,0,0,0,0,1|3,0,0]=4 817 B14R1.5956 C[C@H](NCc1cncc(c1)F)C(=O)O 269956a_100000743915_100000725299 [0,0,0,0,0,1|3,0,0]=4 818 B14R1.5956 C[C@H](OCc1cccc(c1)Br)C(=O)[O-] 7a_217856618621_100000211773 [0,0,0,0,0,1|2,0,1]=4 819 B14R1.5956 C[C@H](OCc1cccc(c1)Cl)C(=O)[O-] 7a_217856618621_100000187163 [0,0,0,0,0,1|2,0,1]=4 820 B14R1.5956 C[C@H](OCc1cccc(c1)F)C(=O)[O-] 7a_217856618621_100000230114 [0,0,0,0,0,1|2,0,1]=4 821 B14R1.5956 C[C@H](OCc1cccc(c1)I)C(=O)[O-] 7a_217856618621_100011218688 [0,0,0,0,0,1|2,0,1]=4 822 B14R1.5956 C[C@H](OCc1cccc(c1)O)C(=O)[O-] 7a_217856618621_100000084143 [0,0,0,0,0,1|1,0,1]=3 823 B14R1.5956 Cc1cc(ccn1)CN[C@@H](C)C(=O)O 269956a_100000743915_200020672517 [0,0,0,0,0,1|3,0,0]=4 824 B14R1.5956 Cc1cccc(c1)CNC(C)C(=O)N 2230a_100000185548_100000702099 [0,0,0,0,0,1|3,0,0]=4 825 B14R1.5956 Cc1cccc(c1)CNC(C)C(=O)N 34a_100000185548_100000702099 [0,0,0,0,0,1|3,0,0]=4 826 B14R1.5956 Cc1cccc(c1)CNC(F)C(=O)N 2230a_100000185548_100009813875 [0,0,0,0,0,1|3,0,0]=4 827 B14R1.5956 Cc1cccc(c1)CNC(F)C(=O)N 34a_100000185548_100009813875 [0,0,0,0,0,1|3,0,0]=4 828 B14R1.5956 Cc1cccc(c1)CNC(F)C(=O)[O-] 34a_100000185548_100020610796 [0,0,0,0,0,1|2,0,1]=4 829 B14R1.5956 Cc1cccc(c1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000005736 [0,0,0,0,0,1|2,0,0]=3 830 B14R1.5956 Cc1cccc(c1)CN[C@H](C)C(=O)N 2230a_100000119354_100000211840 [0,0,0,0,0,1|3,0,0]=4 831 B14R1.5956 Cc1cccc(c1)CN[C@H](C)C(=O)N 270004a_100000119354_100000211157 [0,0,0,0,0,1|3,0,0]=4 832 B14R1.5956 Cc1cccc(c1)CN[C@H](C)C(=O)N 34a_100000119354_100000211840 [0,0,0,0,0,1|3,0,0]=4 833 B14R1.5956 Cc1cccc(c1)COC(C)C(=O)N 34a_100011217746_100000702099 [0,0,0,0,0,1|3,0,0]=4 834 B14R1.5956 Cc1cccc(c1)COC(C)C(=O)N 7a_100011217746_100000702099 [0,0,0,0,0,1|3,0,0]=4 835 B14R1.5956 Cc1cccc(c1)COC(F)C(=O)N 34a_100011217746_100009813875 [0,0,0,0,0,1|3,0,0]=4 836 B14R1.5956 Cc1cccc(c1)COC(F)C(=O)N 7a_100011217746_100009813875 [0,0,0,0,0,1|3,0,0]=4 837 B14R1.5956 Cc1cccc(c1)COC(F)C(=O)[O-] 34a_100011217746_100020610796 [0,0,0,0,0,1|2,0,1]=4 838 B14R1.5956 Cc1cccc(c1)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000211840 [0,0,0,0,0,1|2,0,1]=4 839 B14R1.5956 Cc1cccc(c1)CO[C@H](C)C(=O)N 34a_100000731257_100000211840 [0,0,0,0,0,1|3,0,0]=4 840 B14R1.5956 Cc1cccc(c1)CO[C@H](C)C(=O)N 7a_100000731257_100000211840 [0,0,0,0,0,1|3,0,0]=4 841 B14R1.5956 Cc1cccc(c1)CSC(C)C(=O)N 62a_100000211840_100000702099 [0,0,0,0,0,1|3,0,0]=4 842 B14R1.5956 Cc1cccc(c1)CSC(C)C(=O)N 62a_100000702099_100000211840 [0,0,0,0,0,1|3,0,0]=4 843 B14R1.5956 Cc1cccc(c1)CSC(F)C(=O)N 62a_100000211840_100009813875 [0,0,0,0,0,1|3,0,0]=4 844 B14R1.5956 Cc1cccc(c1)CSC(F)C(=O)N 62a_100009813875_100000211840 [0,0,0,0,0,1|3,0,0]=4 845 B14R1.5956 Cc1cccc(c1)CSC(F)C(=O)[O-] 62a_100000211840_100020610796 [0,0,0,0,0,1|2,0,1]=4 846 B14R1.5956 Cc1cccc(c1)CSC(F)C(=O)[O-] 62a_100020610796_100000211840 [0,0,0,0,0,1|2,0,1]=4 847 B14R1.5956 Cc1cccc(n1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000757606 [0,0,0,0,0,1|3,0,0]=4 848 B14R1.5956 Cc1ccnc(c1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000718516 [0,0,0,0,0,1|3,0,0]=4 849 B14R1.5956 Cc1cncc(c1)CN[C@@H](C)C(=O)O 269956a_100000743915_100016988603 [0,0,0,0,0,1|3,0,0]=4 850 B14R1.5956 NC(=O)C(=O)NCc1cccc(c1)O 240690a_100000743036_100011215815 [0,0,0,0,0,1|2,0,1]=4 851 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)Br 2230a_100000174977_100009813875 [0,0,0,0,0,1|3,0,0]=4 852 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)Br 34a_100000174977_100009813875 [0,0,0,0,0,1|3,0,0]=4 853 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)Cl 2230a_100000174878_100009813875 [0,0,0,0,0,1|3,0,0]=4 854 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)Cl 34a_100000174878_100009813875 [0,0,0,0,0,1|3,0,0]=4 855 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)F 2230a_100000174948_100009813875 [0,0,0,0,0,1|3,0,0]=4 856 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)F 34a_100000174948_100009813875 [0,0,0,0,0,1|3,0,0]=4 857 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)I 2230a_100000106179_100009813875 [0,0,0,0,0,1|3,0,0]=4 858 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)I 34a_100000106179_100009813875 [0,0,0,0,0,1|3,0,0]=4 859 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)O 2230a_100000743036_100009813875 [0,0,0,0,0,1|2,0,0]=3 860 B14R1.5956 NC(=O)C(F)NCc1cccc(c1)O 34a_100000743036_100009813875 [0,0,0,0,0,1|2,0,0]=3 861 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)Br 34a_100000687537_100009813875 [0,0,0,0,0,1|3,0,0]=4 862 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)Br 7a_100000687537_100009813875 [0,0,0,0,0,1|3,0,0]=4 863 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)Cl 34a_100000241301_100009813875 [0,0,0,0,0,1|3,0,0]=4 864 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)Cl 7a_100000241301_100009813875 [0,0,0,0,0,1|3,0,0]=4 865 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)F 34a_100000210976_100009813875 [0,0,0,0,0,1|3,0,0]=4 866 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)F 7a_100000210976_100009813875 [0,0,0,0,0,1|3,0,0]=4 867 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)I 34a_100011215336_100009813875 [0,0,0,0,0,1|3,0,0]=4 868 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)I 7a_100011215336_100009813875 [0,0,0,0,0,1|3,0,0]=4 869 B14R1.5956 NC(=O)C(F)OCc1cccc(c1)N 34a_100000211919_100009813875 [0,0,0,0,0,1|3,0,0]=4 870 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)Br 62a_100000211773_100009813875 [0,0,0,0,0,1|3,0,0]=4 871 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)Br 62a_100009813875_100000211773 [0,0,0,0,0,1|3,0,0]=4 872 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)Cl 62a_100000187163_100009813875 [0,0,0,0,0,1|3,0,0]=4 873 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)Cl 62a_100009813875_100000187163 [0,0,0,0,0,1|3,0,0]=4 874 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)F 62a_100000230114_100009813875 [0,0,0,0,0,1|3,0,0]=4 875 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)F 62a_100009813875_100000230114 [0,0,0,0,0,1|3,0,0]=4 876 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)I 62a_100009813875_100011218688 [0,0,0,0,0,1|3,0,0]=4 877 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)I 62a_100011218688_100009813875 [0,0,0,0,0,1|3,0,0]=4 878 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)O 62a_100009813875_100011660834 [0,0,0,0,0,1|2,0,0]=3 879 B14R1.5956 NC(=O)C(F)SCc1cccc(c1)O 62a_100011660834_100009813875 [0,0,0,0,0,1|2,0,0]=3 880 B14R1.5956 Nc1cccc(c1)COC(F)C(=O)[O-] 34a_100000211919_100020610796 [0,0,0,0,0,1|2,0,1]=4 881 B14R1.5956 O=C([O-])C(F)NCc1cccc(c1)Br 34a_100000174977_100020610796 [0,0,0,0,0,1|2,0,1]=4 882 B14R1.5956 O=C([O-])C(F)NCc1cccc(c1)Cl 34a_100000174878_100020610796 [0,0,0,0,0,1|2,0,1]=4 883 B14R1.5956 O=C([O-])C(F)NCc1cccc(c1)F 34a_100000174948_100020610796 [0,0,0,0,0,1|2,0,1]=4 884 B14R1.5956 O=C([O-])C(F)NCc1cccc(c1)I 34a_100000106179_100020610796 [0,0,0,0,0,1|2,0,1]=4 885 B14R1.5956 O=C([O-])C(F)NCc1cccc(c1)O 34a_100000743036_100020610796 [0,0,0,0,0,1|1,0,1]=3 886 B14R1.5956 O=C([O-])C(F)OCc1cccc(c1)Br 34a_100000687537_100020610796 [0,0,0,0,0,1|2,0,1]=4 887 B14R1.5956 O=C([O-])C(F)OCc1cccc(c1)Cl 34a_100000241301_100020610796 [0,0,0,0,0,1|2,0,1]=4 888 B14R1.5956 O=C([O-])C(F)OCc1cccc(c1)F 34a_100000210976_100020610796 [0,0,0,0,0,1|2,0,1]=4 889 B14R1.5956 O=C([O-])C(F)OCc1cccc(c1)I 34a_100011215336_100020610796 [0,0,0,0,0,1|2,0,1]=4 890 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)Br 62a_100000211773_100020610796 [0,0,0,0,0,1|2,0,1]=4 891 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)Br 62a_100020610796_100000211773 [0,0,0,0,0,1|2,0,1]=4 892 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)Cl 62a_100000187163_100020610796 [0,0,0,0,0,1|2,0,1]=4 893 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)Cl 62a_100020610796_100000187163 [0,0,0,0,0,1|2,0,1]=4 894 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)F 62a_100000230114_100020610796 [0,0,0,0,0,1|2,0,1]=4 895 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)F 62a_100020610796_100000230114 [0,0,0,0,0,1|2,0,1]=4 896 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)I 62a_100011218688_100020610796 [0,0,0,0,0,1|2,0,1]=4 897 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)I 62a_100020610796_100011218688 [0,0,0,0,0,1|2,0,1]=4 898 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)O 62a_100011660834_100020610796 [0,0,0,0,0,1|1,0,1]=3 899 B14R1.5956 O=C([O-])C(F)SCc1cccc(c1)O 62a_100020610796_100011660834 [0,0,0,0,0,1|1,0,1]=3 900 B14R1.5978 CC(=O)OC(C)Sc1cccc(c1)O 62a_100009818208_100000211634 [0,0,0,0,0,1|3,0,0]=4 901 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)O 2230a_100000207540_100000747473 [0,0,0,0,0,1|3,0,0]=4 902 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)O 2230a_100000739694_100011660834 [0,0,0,0,0,1|3,0,0]=4 903 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)O 269982a_100000207540_100000187820 [0,0,0,0,0,1|3,0,0]=4 904 B14R1.5978 CN(CC(=O)N)Cc1cccc(c1)O 270004a_100000739694_100000188321 [0,0,0,0,0,1|3,0,0]=4 905 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)Br 269956a_100000746989_100000211773 [0,0,0,0,0,1|3,0,0]=4 906 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)Br 269956a_114849113268_200000210301 [0,0,0,0,0,1|3,0,0]=4 907 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)Cl 269956a_100000746989_100000187163 [0,0,0,0,0,1|3,0,0]=4 908 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)F 269956a_100000746989_100000230114 [0,0,0,0,0,1|3,0,0]=4 909 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)I 269956a_100000746989_100011218688 [0,0,0,0,0,1|3,0,0]=4 910 B14R1.5978 CN(CC(=O)O)Cc1cccc(c1)O 269956a_100000746989_100011660834 [0,0,0,0,0,1|2,0,0]=3 911 B14R1.5978 CN(CC(=O)[O-])Cc1cccc(c1)O 269982a_100000207540_100020667443 [0,0,0,0,0,1|2,0,1]=4 912 B14R1.5978 Cc1cccc(c1)CN(C)CC(=O)O 269956a_100000746989_100000005736 [0,0,0,0,0,1|3,0,0]=4 913 B14R1.5978 NC(=O)CC(=O)Cc1cccc(c1)O 1458a_100000745134_100000187820 [0,0,0,0,0,1|2,0,1]=4 914 B14R1.5978 NC(=O)CC(=O)Cc1cccc(c1)O 1458a_100134613110_100011660834 [0,0,0,0,0,1|2,0,1]=4 915 B14R1.5978 O=C([O-])CC(=O)Cc1cccc(c1)O 1458a_100000745134_100020667443 [0,0,0,0,0,1|1,0,2]=4 916 B14R1.5978 [13CH3]N(CC(=O)O)Cc1cccc(c1)Br 269956a_114849113268_200025704644 [0,0,0,0,0,1|3,0,0]=4 917 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [2,0,0,0,0,0|1,0,0]=3 918 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [2,0,0,0,0,0|1,0,0]=3 919 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [2,0,0,0,0,0|2,0,0]=4 920 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [2,0,0,0,0,0|2,0,0]=4 921 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [2,0,0,0,0,0|2,0,0]=4 922 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [2,0,0,0,0,0|2,0,0]=4 923 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [2,0,0,0,0,0|2,0,0]=4 924 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [2,0,0,0,0,0|2,0,0]=4 925 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [2,0,0,0,0,0|2,0,0]=4 926 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [2,0,0,0,0,0|2,0,0]=4 927 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [2,0,0,0,0,0|2,0,0]=4 928 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [2,0,0,0,0,0|2,0,0]=4 929 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [2,0,0,0,0,0|2,0,0]=4 930 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [2,0,0,0,0,0|2,0,0]=4 931 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [2,0,0,0,0,0|2,0,0]=4 932 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [2,0,0,0,0,0|2,0,0]=4 933 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [2,0,0,0,0,0|2,0,0]=4 934 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [2,0,0,0,0,0|2,0,0]=4 935 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [2,0,0,0,0,0|2,0,0]=4 936 B11R1.91 O=C([O-])CNc1ccccc1 34a_100000106764_100020667443 [2,0,0,0,0,0|1,0,1]=4 937 B11R1.91 O=C([O-])COc1ccccc1 34a_100000210340_100020667443 [2,0,0,0,0,0|1,0,1]=4 938 B11R1.91 O=C([O-])CSc1ccccc1 62a_100000719477_100020667443 [2,0,0,0,0,0|1,0,1]=4 939 B11R1.91 O=C([O-])CSc1ccccc1 62a_100020667443_100000041952 [2,0,0,0,0,0|1,0,1]=4 940 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [2,0,0,0,0,0|1,0,0]=3 941 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [2,0,0,0,0,0|2,0,0]=4 942 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [2,0,0,0,0,0|2,0,0]=4 943 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [2,0,0,0,0,0|2,0,0]=4 944 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [2,0,0,0,0,0|2,0,0]=4 945 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [2,0,0,0,0,0|2,0,0]=4 946 B11R1.24 C=CCNc1cccc(c1)O 34a_100000210217_100015514636 [2,0,0,0,0,0|2,0,0]=4 947 B11R1.24 C=CCSc1cccc(c1)O 62a_100000210623_100000211634 [2,0,0,0,0,0|2,0,0]=4 948 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [2,0,0,0,0,0|1,0,1]=4 949 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [2,0,0,0,0,0|1,0,1]=4 950 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [2,0,0,0,0,0|2,0,0]=4 951 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [2,0,0,0,0,0|2,0,0]=4 952 B11R1.24 Cc1cccc(c1)NCC=O 2230a_100000188690_200015260668 [2,0,0,0,0,0|2,0,0]=4 953 B11R1.24 Cc1cccc(c1)NCC=O 34a_100000188690_200009817547 [2,0,0,0,0,0|2,0,0]=4 954 B11R1.24 Cc1cccc(c1)OCC=O 34a_100000210337_200009817547 [2,0,0,0,0,0|2,0,0]=4 955 B11R1.24 Cc1cccc(c1)OCC=O 7a_100000210337_200015260668 [2,0,0,0,0,0|2,0,0]=4 956 B11R1.24 Cc1cccc(c1)SCC=O 62a_100011215228_200015260668 [2,0,0,0,0,0|2,0,0]=4 957 B11R1.24 Cc1cccc(c1)SCC=O 62a_200015260668_100011215228 [2,0,0,0,0,0|2,0,0]=4 958 B11R1.24 N#CCCc1cccc(c1)O 271570a_203496583355_100011219771 [2,0,0,0,0,0|1,0,1]=4 959 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [2,0,0,0,0,0|1,0,1]=4 960 B11R1.24 Nc1cccc(c1)OCC=O 34a_100000210217_200009817547 [2,0,0,0,0,0|2,0,0]=4 961 B11R1.24 Nc1cccc(c1)SCC=O 62a_100000210019_200015260668 [2,0,0,0,0,0|2,0,0]=4 962 B11R1.24 Nc1cccc(c1)SCC=O 62a_200015260668_100000210019 [2,0,0,0,0,0|2,0,0]=4 963 B11R1.24 O=CCNc1cccc(c1)Br 34a_100000210019_200009817547 [2,0,0,0,0,0|2,0,0]=4 964 B11R1.24 O=CCNc1cccc(c1)Cl 34a_100000185859_200009817547 [2,0,0,0,0,0|2,0,0]=4 965 B11R1.24 O=CCNc1cccc(c1)F 34a_100000210047_200009817547 [2,0,0,0,0,0|2,0,0]=4 966 B11R1.24 O=CCNc1cccc(c1)I 34a_100000211102_200009817547 [2,0,0,0,0,0|2,0,0]=4 967 B11R1.24 O=CCNc1cccc(c1)O 34a_100000210217_200009817547 [2,0,0,0,0,0|1,0,0]=3 968 B11R1.24 O=CCOc1cccc(c1)Br 34a_100000210342_200009817547 [2,0,0,0,0,0|2,0,0]=4 969 B11R1.24 O=CCOc1cccc(c1)Br 7a_100000210342_200015260668 [2,0,0,0,0,0|2,0,0]=4 970 B11R1.24 O=CCOc1cccc(c1)Cl 34a_100000210295_200009817547 [2,0,0,0,0,0|2,0,0]=4 971 B11R1.24 O=CCOc1cccc(c1)Cl 7a_100000210295_200015260668 [2,0,0,0,0,0|2,0,0]=4 972 B11R1.24 O=CCOc1cccc(c1)F 34a_100000210426_200009817547 [2,0,0,0,0,0|2,0,0]=4 973 B11R1.24 O=CCOc1cccc(c1)F 7a_100000210426_200015260668 [2,0,0,0,0,0|2,0,0]=4 974 B11R1.24 O=CCOc1cccc(c1)I 34a_100000211634_200009817547 [2,0,0,0,0,0|2,0,0]=4 975 B11R1.24 O=CCOc1cccc(c1)I 7a_100000211634_200015260668 [2,0,0,0,0,0|2,0,0]=4 976 B11R1.24 O=CCSc1cc(ccn1)O 62a_200015260668_100000762945 [2,0,0,0,0,0|2,0,0]=4 977 B11R1.24 O=CCSc1cccc(c1)Br 62a_100000691529_200015260668 [2,0,0,0,0,0|2,0,0]=4 978 B11R1.24 O=CCSc1cccc(c1)Br 62a_200015260668_100000691529 [2,0,0,0,0,0|2,0,0]=4 979 B11R1.24 O=CCSc1cccc(c1)Cl 62a_100000699651_200015260668 [2,0,0,0,0,0|2,0,0]=4 980 B11R1.24 O=CCSc1cccc(c1)Cl 62a_200015260668_100000699651 [2,0,0,0,0,0|2,0,0]=4 981 B11R1.24 O=CCSc1cccc(c1)F 62a_100000685547_200015260668 [2,0,0,0,0,0|2,0,0]=4 982 B11R1.24 O=CCSc1cccc(c1)F 62a_200015260668_100000685547 [2,0,0,0,0,0|2,0,0]=4 983 B11R1.24 O=CCSc1cccc(c1)O 62a_200015260668_100000211634 [2,0,0,0,0,0|1,0,0]=3 984 B11R1.24 O=CCSc1cccc(c1)[S] 62a_114929384022_200015260668 [2,0,0,0,0,0|1,1,0]=4 985 B11R1.24 O=CCSc1cccc(c1)[S] 62a_200015260668_114929384022 [2,0,0,0,0,0|1,1,0]=4 986 B11R1.24 O=CCSc1cncc(c1)O 62a_100000754920_200015260668 [2,0,0,0,0,0|2,0,0]=4 987 B11R1.24 O=CCSc1cncc(c1)O 62a_200015260668_100000754920 [2,0,0,0,0,0|2,0,0]=4 988 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [2,0,0,0,0,0|0,0,1]=3 989 B11R1.24 OCCNc1cccc(c1)O 34a_100000210217_100000211926 [2,0,0,0,0,0|1,0,1]=4 990 B11R1.24 OCCOc1cccc(c1)O 271570a_203496583355_100000757546 [2,0,0,0,0,0|1,0,1]=4 991 B11R1.24 OCCSc1cccc(c1)O 271570a_203496583355_200011756134 [2,0,0,0,0,0|1,0,1]=4 992 B11R1.24 OCCSc1cccc(c1)O 62a_100000211926_100000211634 [2,0,0,0,0,0|1,0,1]=4 993 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [2,0,0,0,0,0|2,0,0]=4 994 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [2,0,0,0,0,0|2,0,0]=4 995 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [2,0,0,0,0,0|1,0,1]=4 996 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [2,0,0,0,0,0|1,0,1]=4 997 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [2,0,0,0,0,0|1,0,1]=4 998 B11R1.157 CC(C)Cc1cccc(c1)O 271570a_203496583355_100010883412 [2,0,0,0,0,0|1,0,1]=4 999 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [2,0,0,0,0,0|0,0,1]=3 1000 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [2,0,0,0,0,0|1,0,1]=4 1001 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [2,0,0,0,0,0|1,0,1]=4 1002 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)Br 1458a_100000695199_200000210301 [1,1,0,0,0,0|2,0,0]=4 1003 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)F 1458a_100000746122_200000210301 [1,1,0,0,0,0|2,0,0]=4 1004 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200000210301 [1,1,0,0,0,0|2,0,0]=4 1005 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200000210301 [1,1,0,0,0,0|2,0,0]=4 1006 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200000210301 [1,1,0,0,0,0|2,0,0]=4 1007 B13R1.133 CC(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200000210301 [1,1,0,0,0,0|2,0,0]=4 1008 B13R1.133 CC(Cc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000695199_200025704644 [1,1,0,0,0,0|2,0,0]=4 1009 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000746122_200025704644 [1,1,0,0,0,0|2,0,0]=4 1010 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200025704644 [1,1,0,0,0,0|2,0,0]=4 1011 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200025704644 [1,1,0,0,0,0|2,0,0]=4 1012 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200025704644 [1,1,0,0,0,0|2,0,0]=4 1013 B13R1.133 [13CH3]C(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200025704644 [1,1,0,0,0,0|2,0,0]=4 1014 B13R1.135 C#CC(=O)C(C)Cc1ccccc1 1458a_100000211873_200011218536 [1,1,0,0,0,0|2,0,0]=4 1015 B13R1.135 C=CC(=O)C(C)Cc1ccccc1 1458a_100000185746_200011218536 [1,1,0,0,0,0|2,0,0]=4 1016 B13R1.135 CC(Cc1ccccc1)C(=O)CF 1458a_100000754839_100015361967 [1,1,0,0,0,0|2,0,0]=4 1017 B13R1.135 CC(Cc1ccccc1)C(=O)CO 1458a_100000210174_200011218536 [1,1,0,0,0,0|1,0,0]=3 1018 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000210414_200011218536 [1,1,0,0,0,0|2,0,0]=4 1019 B13R1.135 CCC(=O)C(C)Cc1ccccc1 1458a_100000754839_100000210202 [1,1,0,0,0,0|2,0,0]=4 1020 B13R1.135 CCC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_100000210202 [1,1,0,0,0,0|2,0,0]=4 1021 B13R1.135 CN(Cc1ccccc1)C(=O)CO 240690a_100000186898_100000210174 [1,1,0,0,0,0|2,0,0]=4 1022 B13R1.135 CN(Cc1ccccc1)C(=O)CO 527a_100000186898_100000210174 [1,1,0,0,0,0|2,0,0]=4 1023 B13R1.135 CNC(=O)C(C)Cc1ccccc1 11a_106832991635_100000754839 [1,1,0,0,0,0|2,0,0]=4 1024 B13R1.135 CNC(=O)C(C)Cc1ccccc1 1626a_100102657272_100000754839 [1,1,0,0,0,0|2,0,0]=4 1025 B13R1.135 CNC(=O)C(C)Cc1ccccc1 240690a_100102657272_100000754839 [1,1,0,0,0,0|2,0,0]=4 1026 B13R1.135 CNC(=O)C(C)Cc1ccccc1 527a_100102657272_100000754839 [1,1,0,0,0,0|2,0,0]=4 1027 B13R1.135 CNC(=O)[C@H](O)Cc1ccccc1 240690a_100102657272_100009816399 [1,1,0,0,0,0|2,0,0]=4 1028 B13R1.135 COC(=O)C(C)Nc1ccccc1 34a_100000106764_100000211248 [1,1,0,0,0,0|2,0,0]=4 1029 B13R1.135 COC(=O)C(C)Oc1ccccc1 34a_100000210340_100000211248 [1,1,0,0,0,0|2,0,0]=4 1030 B13R1.135 COC(=O)C(C)Oc1ccccc1 7a_100000210340_100000211248 [1,1,0,0,0,0|2,0,0]=4 1031 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000211248_100000041952 [1,1,0,0,0,0|2,0,0]=4 1032 B13R1.135 COC(=O)C(C)Sc1ccccc1 62a_100000719477_100000211248 [1,1,0,0,0,0|2,0,0]=4 1033 B13R1.135 O=C(CF)[C@H](O)Cc1ccccc1 1458a_100009816399_100015361967 [1,1,0,0,0,0|2,0,0]=4 1034 B13R1.152 CC(C(=O)O)N(C)c1ccccc1 269956a_100000189636_200000210301 [1,1,0,0,0,0|2,0,0]=4 1035 B13R1.152 CC(C(=O)O)N([13CH3])c1ccccc1 269956a_100000189636_200025704644 [1,1,0,0,0,0|2,0,0]=4 1036 B13R1.202 CC(=O)C(O)Cc1ccccc1Br 1458a_100012382637_200000210301 [1,1,0,0,0,0|2,0,0]=4 1037 B13R1.202 CC(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_200000210301 [1,1,0,0,0,0|2,0,0]=4 1038 B13R1.202 [13CH3]C(=O)C(O)Cc1ccccc1Br 1458a_100012382637_200025704644 [1,1,0,0,0,0|2,0,0]=4 1039 B13R1.202 [13CH3]C(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_200025704644 [1,1,0,0,0,0|2,0,0]=4 1040 B13R1.418 CC(=O)C(C#N)Cc1ccccc1 1458a_100000070787_100000183401 [1,1,0,0,0,0|1,0,1]=4 1041 B13R1.418 CC(=O)C(C#N)Cc1ccccc1 1458a_100000075392_200000210301 [1,1,0,0,0,0|1,0,1]=4 1042 B13R1.418 CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_200000210301 [1,1,0,0,0,0|1,0,0]=3 1043 B13R1.418 CNC(Cc1ccccc1)C(=O)N 34a_100000745710_200000210301 [1,1,0,0,0,0|1,0,0]=3 1044 B13R1.418 [13CH3]C(=O)C(C#N)Cc1ccccc1 1458a_100000075392_200025704644 [1,1,0,0,0,0|1,0,1]=4 1045 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 2230a_100000745710_200025704644 [1,1,0,0,0,0|1,0,0]=3 1046 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 34a_100000745710_200025704644 [1,1,0,0,0,0|1,0,0]=3 1047 B13R1.1073 CC(=O)C(C)(C)Cc1ccccc1 1458a_100000757416_200000210301 [1,1,0,0,0,0|2,0,0]=4 1048 B13R1.1073 CC(C)(Cc1ccccc1)C(=O)[13CH3] 1458a_100000757416_200025704644 [1,1,0,0,0,0|2,0,0]=4 1049 B13R1.20 CN(CC=O)Cc1cccc(c1)O 2230a_100000207540_200015260668 [1,1,0,0,0,0|2,0,0]=4 1050 B13R1.20 CN(CC=O)Cc1cccc(c1)O 269982a_100000207540_200015260668 [1,1,0,0,0,0|2,0,0]=4 1051 B13R1.20 COCC(N)Cc1cccc(c1)Br 34a_114802770106_200000210301 [1,1,0,0,0,0|1,0,1]=4 1052 B13R1.20 COCC(N)Cc1cccc(c1)C 34a_100000716799_200000210301 [1,1,0,0,0,0|1,0,1]=4 1053 B13R1.20 COCC(N)Cc1cccc(c1)F 34a_200012000099_200000210301 [1,1,0,0,0,0|1,0,1]=4 1054 B13R1.20 Cc1cccc(c1)CC(N)CO[13CH3] 34a_100000716799_200025704644 [1,1,0,0,0,0|1,0,1]=4 1055 B13R1.20 [13CH3]OCC(N)Cc1cccc(c1)Br 34a_114802770106_200025704644 [1,1,0,0,0,0|1,0,1]=4 1056 B13R1.20 [13CH3]OCC(N)Cc1cccc(c1)F 34a_200012000099_200025704644 [1,1,0,0,0,0|1,0,1]=4 1057 B13R1.81 C=Cc1cccc(c1)CC(N)CO 271570a_100011290941_114802770106 [1,1,0,0,0,0|1,0,1]=4 1058 B13R1.81 CSc1cccc(c1)CC(N)CO 62a_114802770106_200000210301 [1,1,0,0,0,0|0,1,1]=4 1059 B13R1.81 CSc1cccc(c1)CC(N)CO 62a_200000210301_114802770106 [1,1,0,0,0,0|0,1,1]=4 1060 B13R1.81 [13CH3]Sc1cccc(c1)CC(N)CO 62a_114802770106_200025704644 [1,1,0,0,0,0|0,1,1]=4 1061 B13R1.81 [13CH3]Sc1cccc(c1)CC(N)CO 62a_200025704644_114802770106 [1,1,0,0,0,0|0,1,1]=4 1062 B13R1.146 CNC(CO)Cc1cccc(c1)Br 2230a_114802770106_200000210301 [1,1,0,0,0,0|1,0,1]=4 1063 B13R1.146 CNC(CO)Cc1cccc(c1)Br 34a_114802770106_200000210301 [1,1,0,0,0,0|1,0,1]=4 1064 B13R1.146 CNC(CO)Cc1cccc(c1)C 2230a_100000716799_200000210301 [1,1,0,0,0,0|1,0,1]=4 1065 B13R1.146 CNC(CO)Cc1cccc(c1)C 34a_100000716799_200000210301 [1,1,0,0,0,0|1,0,1]=4 1066 B13R1.146 CNC(CO)Cc1cccc(c1)F 2230a_200012000099_200000210301 [1,1,0,0,0,0|1,0,1]=4 1067 B13R1.146 CNC(CO)Cc1cccc(c1)F 34a_200012000099_200000210301 [1,1,0,0,0,0|1,0,1]=4 1068 B13R1.146 Cc1cccc(c1)CC(CO)N[13CH3] 2230a_100000716799_200025704644 [1,1,0,0,0,0|1,0,1]=4 1069 B13R1.146 Cc1cccc(c1)CC(CO)N[13CH3] 34a_100000716799_200025704644 [1,1,0,0,0,0|1,0,1]=4 1070 B13R1.146 O=CC(C=O)Nc1cccc(c1)O 34a_100000210217_100000736813 [1,1,0,0,0,0|2,0,0]=4 1071 B13R1.146 O=CC(C=O)Sc1cccc(c1)O 62a_100000736813_100000211634 [1,1,0,0,0,0|2,0,0]=4 1072 B13R1.146 [13CH3]NC(CO)Cc1cccc(c1)Br 2230a_114802770106_200025704644 [1,1,0,0,0,0|1,0,1]=4 1073 B13R1.146 [13CH3]NC(CO)Cc1cccc(c1)Br 34a_114802770106_200025704644 [1,1,0,0,0,0|1,0,1]=4 1074 B13R1.146 [13CH3]NC(CO)Cc1cccc(c1)F 2230a_200012000099_200025704644 [1,1,0,0,0,0|1,0,1]=4 1075 B13R1.146 [13CH3]NC(CO)Cc1cccc(c1)F 34a_200012000099_200025704644 [1,1,0,0,0,0|1,0,1]=4 1076 B13R1.15 C#CC(=O)CCc1cccc(c1)Br 1458a_100000211873_100011740638 [1,1,0,0,0,0|2,0,0]=4 1077 B13R1.15 C#CC(=O)CCc1cccc(c1)C 1458a_100000211873_100011713685 [1,1,0,0,0,0|2,0,0]=4 1078 B13R1.15 C#CC(=O)CCc1cccc(c1)Cl 1458a_100000211873_100011713710 [1,1,0,0,0,0|2,0,0]=4 1079 B13R1.15 C#CC(=O)CCc1cccc(c1)F 1458a_100000211873_100011217235 [1,1,0,0,0,0|2,0,0]=4 1080 B13R1.15 C=CC(=O)CCc1cccc(c1)Br 1458a_100000185746_100011740638 [1,1,0,0,0,0|2,0,0]=4 1081 B13R1.15 C=CC(=O)CCc1cccc(c1)C 1458a_100000185746_100011713685 [1,1,0,0,0,0|2,0,0]=4 1082 B13R1.15 C=CC(=O)CCc1cccc(c1)Cl 1458a_100000185746_100011713710 [1,1,0,0,0,0|2,0,0]=4 1083 B13R1.15 C=CC(=O)CCc1cccc(c1)F 1458a_100000185746_100011217235 [1,1,0,0,0,0|2,0,0]=4 1084 B13R1.15 C=CC(=O)NCc1cccc(c1)O 240690a_100000743036_200121576911 [1,1,0,0,0,0|2,0,0]=4 1085 B13R1.15 CCC(=O)CCc1cccc(c1)Br 1458a_100000184314_100000210202 [1,1,0,0,0,0|2,0,0]=4 1086 B13R1.15 CCC(=O)CCc1cccc(c1)Br 1458a_100000210414_100011740638 [1,1,0,0,0,0|2,0,0]=4 1087 B13R1.15 CCC(=O)CCc1cccc(c1)C 1458a_100000210414_100011713685 [1,1,0,0,0,0|2,0,0]=4 1088 B13R1.15 CCC(=O)CCc1cccc(c1)C 1458a_100000234952_100000210202 [1,1,0,0,0,0|2,0,0]=4 1089 B13R1.15 CCC(=O)CCc1cccc(c1)Cl 1458a_100000210414_100011713710 [1,1,0,0,0,0|2,0,0]=4 1090 B13R1.15 CCC(=O)CCc1cccc(c1)Cl 1458a_100000235675_100000210202 [1,1,0,0,0,0|2,0,0]=4 1091 B13R1.15 CCC(=O)CCc1cccc(c1)F 1458a_100000210414_100011217235 [1,1,0,0,0,0|2,0,0]=4 1092 B13R1.15 CCC(=O)CCc1cccc(c1)F 1458a_100000235673_100000210202 [1,1,0,0,0,0|2,0,0]=4 1093 B13R1.15 CCC(=O)CCc1cccc(c1)I 1458a_100010007846_100000210202 [1,1,0,0,0,0|2,0,0]=4 1094 B13R1.15 CCC(=O)CCc1cccc(c1)O 1458a_100011216126_100000210202 [1,1,0,0,0,0|1,0,0]=3 1095 B13R1.15 CCC(=O)CSc1cccc(c1)O 62a_100000747405_100000211634 [1,1,0,0,0,0|2,0,0]=4 1096 B13R1.15 CCC(=O)NCc1cccc(c1)O 240690a_100000743036_100000210414 [1,1,0,0,0,0|2,0,0]=4 1097 B13R1.15 CCC(=O)NCc1cccc(c1)O 271570a_203496583355_200011236840 [1,1,0,0,0,0|2,0,0]=4 1098 B13R1.15 CCC(=O)NCc1cccc(c1)O 527a_100000743036_100000210414 [1,1,0,0,0,0|2,0,0]=4 1099 B13R1.15 CNC(=O)CCc1cccc(c1)Br 11a_106832991635_100000184314 [1,1,0,0,0,0|2,0,0]=4 1100 B13R1.15 CNC(=O)CCc1cccc(c1)Br 1626a_100102657272_100000184314 [1,1,0,0,0,0|2,0,0]=4 1101 B13R1.15 CNC(=O)CCc1cccc(c1)Br 240690a_100102657272_100000184314 [1,1,0,0,0,0|2,0,0]=4 1102 B13R1.15 CNC(=O)CCc1cccc(c1)Br 527a_100102657272_100000184314 [1,1,0,0,0,0|2,0,0]=4 1103 B13R1.15 CNC(=O)CCc1cccc(c1)C 11a_106832991635_100000234952 [1,1,0,0,0,0|2,0,0]=4 1104 B13R1.15 CNC(=O)CCc1cccc(c1)C 1626a_100102657272_100000234952 [1,1,0,0,0,0|2,0,0]=4 1105 B13R1.15 CNC(=O)CCc1cccc(c1)C 240690a_100102657272_100000234952 [1,1,0,0,0,0|2,0,0]=4 1106 B13R1.15 CNC(=O)CCc1cccc(c1)C 527a_100102657272_100000234952 [1,1,0,0,0,0|2,0,0]=4 1107 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 11a_106832991635_100000235675 [1,1,0,0,0,0|2,0,0]=4 1108 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 1626a_100102657272_100000235675 [1,1,0,0,0,0|2,0,0]=4 1109 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 240690a_100102657272_100000235675 [1,1,0,0,0,0|2,0,0]=4 1110 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 527a_100102657272_100000235675 [1,1,0,0,0,0|2,0,0]=4 1111 B13R1.15 CNC(=O)CCc1cccc(c1)F 11a_106832991635_100000235673 [1,1,0,0,0,0|2,0,0]=4 1112 B13R1.15 CNC(=O)CCc1cccc(c1)F 1626a_100102657272_100000235673 [1,1,0,0,0,0|2,0,0]=4 1113 B13R1.15 CNC(=O)CCc1cccc(c1)F 240690a_100102657272_100000235673 [1,1,0,0,0,0|2,0,0]=4 1114 B13R1.15 CNC(=O)CCc1cccc(c1)F 527a_100102657272_100000235673 [1,1,0,0,0,0|2,0,0]=4 1115 B13R1.15 CNC(=O)CCc1cccc(c1)I 11a_106832991635_100010007846 [1,1,0,0,0,0|2,0,0]=4 1116 B13R1.15 CNC(=O)CCc1cccc(c1)I 1626a_100102657272_100010007846 [1,1,0,0,0,0|2,0,0]=4 1117 B13R1.15 CNC(=O)CCc1cccc(c1)I 240690a_100102657272_100010007846 [1,1,0,0,0,0|2,0,0]=4 1118 B13R1.15 CNC(=O)CCc1cccc(c1)I 527a_100102657272_100010007846 [1,1,0,0,0,0|2,0,0]=4 1119 B13R1.15 CNC(=O)CCc1cccc(c1)O 240690a_100102657272_100011216126 [1,1,0,0,0,0|1,0,0]=3 1120 B13R1.15 CNC(=O)CCc1cccc(c1)O 527a_100102657272_100011216126 [1,1,0,0,0,0|1,0,0]=3 1121 B13R1.15 CNC(=O)CNc1cccc(c1)O 34a_100000210217_100000183359 [1,1,0,0,0,0|2,0,0]=4 1122 B13R1.15 CNC(=O)COc1cccc(c1)O 271570a_203496583355_200000150594 [1,1,0,0,0,0|2,0,0]=4 1123 B13R1.15 CNC(=O)CSc1cccc(c1)O 62a_100000183359_100000211634 [1,1,0,0,0,0|2,0,0]=4 1124 B13R1.15 CNC(=O)NCc1cccc(c1)O 2708a_100000743036_106832991635 [1,1,0,0,0,0|2,0,0]=4 1125 B13R1.15 CNC(=O)NCc1cccc(c1)O 2708a_100102657272_100000743036 [1,1,0,0,0,0|2,0,0]=4 1126 B13R1.15 CNC(=O)NCc1cccc(c1)O 273464a_100000743036_100102657272 [1,1,0,0,0,0|2,0,0]=4 1127 B13R1.15 CNC(=O)NCc1cccc(c1)O 273464a_100102657272_100000743036 [1,1,0,0,0,0|2,0,0]=4 1128 B13R1.15 CNC(=O)NCc1cccc(c1)O 512a_100000743036_100102657272 [1,1,0,0,0,0|2,0,0]=4 1129 B13R1.15 CNC(=O)NCc1cccc(c1)O 512a_106832991638_100000743036 [1,1,0,0,0,0|2,0,0]=4 1130 B13R1.15 COC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_100000149372 [1,1,0,0,0,0|0,0,2]=4 1131 B13R1.15 COC(=O)CCc1cccc(c1)O 271570a_203496583355_100000151591 [1,1,0,0,0,0|0,0,0]=2 1132 B13R1.15 COC(=O)CNc1cccc(c1)Br 34a_100000210019_100000747449 [1,1,0,0,0,0|2,0,0]=4 1133 B13R1.15 COC(=O)CNc1cccc(c1)C 2230a_100000188690_100000747449 [1,1,0,0,0,0|2,0,0]=4 1134 B13R1.15 COC(=O)CNc1cccc(c1)C 34a_100000188690_100000747449 [1,1,0,0,0,0|2,0,0]=4 1135 B13R1.15 COC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000747449 [1,1,0,0,0,0|2,0,0]=4 1136 B13R1.15 COC(=O)CNc1cccc(c1)F 34a_100000210047_100000747449 [1,1,0,0,0,0|2,0,0]=4 1137 B13R1.15 COC(=O)CNc1cccc(c1)I 34a_100000211102_100000747449 [1,1,0,0,0,0|2,0,0]=4 1138 B13R1.15 COC(=O)CNc1cccc(c1)O 34a_100000210217_100000747449 [1,1,0,0,0,0|1,0,0]=3 1139 B13R1.15 COC(=O)COc1cccc(c1)Br 34a_100000210342_100000747449 [1,1,0,0,0,0|2,0,0]=4 1140 B13R1.15 COC(=O)COc1cccc(c1)Br 7a_100000210342_100000747449 [1,1,0,0,0,0|2,0,0]=4 1141 B13R1.15 COC(=O)COc1cccc(c1)C 34a_100000210337_100000747449 [1,1,0,0,0,0|2,0,0]=4 1142 B13R1.15 COC(=O)COc1cccc(c1)C 7a_100000210337_100000747449 [1,1,0,0,0,0|2,0,0]=4 1143 B13R1.15 COC(=O)COc1cccc(c1)Cl 34a_100000210295_100000747449 [1,1,0,0,0,0|2,0,0]=4 1144 B13R1.15 COC(=O)COc1cccc(c1)Cl 7a_100000210295_100000747449 [1,1,0,0,0,0|2,0,0]=4 1145 B13R1.15 COC(=O)COc1cccc(c1)F 34a_100000210426_100000747449 [1,1,0,0,0,0|2,0,0]=4 1146 B13R1.15 COC(=O)COc1cccc(c1)F 7a_100000210426_100000747449 [1,1,0,0,0,0|2,0,0]=4 1147 B13R1.15 COC(=O)COc1cccc(c1)I 34a_100000211634_100000747449 [1,1,0,0,0,0|2,0,0]=4 1148 B13R1.15 COC(=O)COc1cccc(c1)I 7a_100000211634_100000747449 [1,1,0,0,0,0|2,0,0]=4 1149 B13R1.15 COC(=O)COc1cccc(c1)N 34a_100000210217_100000747449 [1,1,0,0,0,0|2,0,0]=4 1150 B13R1.15 COC(=O)COc1cccc(c1)O 271570a_203496583355_200000148702 [1,1,0,0,0,0|1,0,0]=3 1151 B13R1.15 COC(=O)CSc1cc(ccn1)O 62a_100000747449_100000762945 [1,1,0,0,0,0|2,0,0]=4 1152 B13R1.15 COC(=O)CSc1cccc(c1)Br 62a_100000691529_100000747449 [1,1,0,0,0,0|2,0,0]=4 1153 B13R1.15 COC(=O)CSc1cccc(c1)Br 62a_100000747449_100000691529 [1,1,0,0,0,0|2,0,0]=4 1154 B13R1.15 COC(=O)CSc1cccc(c1)C 62a_100000747449_100011215228 [1,1,0,0,0,0|2,0,0]=4 1155 B13R1.15 COC(=O)CSc1cccc(c1)C 62a_100011215228_100000747449 [1,1,0,0,0,0|2,0,0]=4 1156 B13R1.15 COC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000747449 [1,1,0,0,0,0|2,0,0]=4 1157 B13R1.15 COC(=O)CSc1cccc(c1)Cl 62a_100000747449_100000699651 [1,1,0,0,0,0|2,0,0]=4 1158 B13R1.15 COC(=O)CSc1cccc(c1)F 62a_100000685547_100000747449 [1,1,0,0,0,0|2,0,0]=4 1159 B13R1.15 COC(=O)CSc1cccc(c1)F 62a_100000747449_100000685547 [1,1,0,0,0,0|2,0,0]=4 1160 B13R1.15 COC(=O)CSc1cccc(c1)N 62a_100000210019_100000747449 [1,1,0,0,0,0|2,0,0]=4 1161 B13R1.15 COC(=O)CSc1cccc(c1)N 62a_100000747449_100000210019 [1,1,0,0,0,0|2,0,0]=4 1162 B13R1.15 COC(=O)CSc1cccc(c1)O 271570a_203496583355_100011756034 [1,1,0,0,0,0|1,0,0]=3 1163 B13R1.15 COC(=O)CSc1cccc(c1)O 62a_100000747449_100000211634 [1,1,0,0,0,0|1,0,0]=3 1164 B13R1.15 COC(=O)CSc1cccc(c1)[S] 62a_100000747449_114929384022 [1,1,0,0,0,0|1,1,0]=4 1165 B13R1.15 COC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000747449 [1,1,0,0,0,0|1,1,0]=4 1166 B13R1.15 COC(=O)CSc1cncc(c1)O 62a_100000747449_100000754920 [1,1,0,0,0,0|2,0,0]=4 1167 B13R1.15 COC(=O)CSc1cncc(c1)O 62a_100000754920_100000747449 [1,1,0,0,0,0|2,0,0]=4 1168 B13R1.15 Cc1cccc(c1)CCC(=O)CF 1458a_100000234952_100015361967 [1,1,0,0,0,0|2,0,0]=4 1169 B13R1.15 Cc1cccc(c1)CCC(=O)CO 1458a_100000210174_100011713685 [1,1,0,0,0,0|1,0,0]=3 1170 B13R1.15 Cc1cccc(c1)CNC(=O)CO 240690a_100000185548_100000210174 [1,1,0,0,0,0|2,0,0]=4 1171 B13R1.15 Cc1cccc(c1)CNC(=O)CO 527a_100000185548_100000210174 [1,1,0,0,0,0|2,0,0]=4 1172 B13R1.15 NNC(=O)COc1cccc(c1)O 271570a_203496583355_100000184228 [1,1,0,0,0,0|2,0,0]=4 1173 B13R1.15 O=C(CF)CCc1cccc(c1)Br 1458a_100000184314_100015361967 [1,1,0,0,0,0|2,0,0]=4 1174 B13R1.15 O=C(CF)CCc1cccc(c1)Cl 1458a_100000235675_100015361967 [1,1,0,0,0,0|2,0,0]=4 1175 B13R1.15 O=C(CF)CCc1cccc(c1)F 1458a_100000235673_100015361967 [1,1,0,0,0,0|2,0,0]=4 1176 B13R1.15 O=C(CF)CCc1cccc(c1)I 1458a_100010007846_100015361967 [1,1,0,0,0,0|2,0,0]=4 1177 B13R1.15 O=C(CF)CCc1cccc(c1)O 1458a_100011216126_100015361967 [1,1,0,0,0,0|1,0,0]=3 1178 B13R1.15 O=C(CO)CCc1cccc(c1)Br 1458a_100000210174_100011740638 [1,1,0,0,0,0|1,0,0]=3 1179 B13R1.15 O=C(CO)CCc1cccc(c1)Cl 1458a_100000210174_100011713710 [1,1,0,0,0,0|1,0,0]=3 1180 B13R1.15 O=C(CO)CCc1cccc(c1)F 1458a_100000210174_100011217235 [1,1,0,0,0,0|1,0,0]=3 1181 B13R1.15 O=C(CO)NCc1cccc(c1)Br 240690a_100000174977_100000210174 [1,1,0,0,0,0|2,0,0]=4 1182 B13R1.15 O=C(CO)NCc1cccc(c1)Br 527a_100000174977_100000210174 [1,1,0,0,0,0|2,0,0]=4 1183 B13R1.15 O=C(CO)NCc1cccc(c1)Cl 240690a_100000174878_100000210174 [1,1,0,0,0,0|2,0,0]=4 1184 B13R1.15 O=C(CO)NCc1cccc(c1)Cl 527a_100000174878_100000210174 [1,1,0,0,0,0|2,0,0]=4 1185 B13R1.15 O=C(CO)NCc1cccc(c1)F 240690a_100000174948_100000210174 [1,1,0,0,0,0|2,0,0]=4 1186 B13R1.15 O=C(CO)NCc1cccc(c1)F 527a_100000174948_100000210174 [1,1,0,0,0,0|2,0,0]=4 1187 B13R1.15 O=C(CO)NCc1cccc(c1)I 240690a_100000106179_100000210174 [1,1,0,0,0,0|2,0,0]=4 1188 B13R1.15 O=C(CO)NCc1cccc(c1)I 527a_100000106179_100000210174 [1,1,0,0,0,0|2,0,0]=4 1189 B13R1.15 O=C(CO)NCc1cccc(c1)O 240690a_100000743036_100000210174 [1,1,0,0,0,0|1,0,0]=3 1190 B13R1.15 O=C(CO)NCc1cccc(c1)O 527a_100000743036_100000210174 [1,1,0,0,0,0|1,0,0]=3 1191 B13R1.15 O=C(CO)NCc1ccnc(c1)O 240690a_100000748557_100000210174 [1,1,0,0,0,0|2,0,0]=4 1192 B13R1.15 O=C(CO)NCc1ccnc(c1)O 527a_100000748557_100000210174 [1,1,0,0,0,0|2,0,0]=4 1193 B13R1.147 CC(=O)CC(=O)c1cccc(c1)O 1458a_100000070787_100009813753 [1,1,0,0,0,0|1,0,1]=4 1194 B13R1.147 CC(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200000210301 [1,1,0,0,0,0|2,0,0]=4 1195 B13R1.147 CC(=O)NC(C)c1cccc(c1)O 240690a_100000740644_100015343762 [1,1,0,0,0,0|2,0,0]=4 1196 B13R1.147 CC(=O)NC(C)c1cccc(c1)O 527a_100000740644_100103153847 [1,1,0,0,0,0|2,0,0]=4 1197 B13R1.147 CN(CC(=O)N)c1cccc(c1)O 2230a_100000756613_100000747473 [1,1,0,0,0,0|2,0,0]=4 1198 B13R1.147 CN(CC(=O)N)c1cccc(c1)O 269982a_100000756613_100000187820 [1,1,0,0,0,0|2,0,0]=4 1199 B13R1.147 CN(CC(=O)N)c1cccc(c1)O 34a_100000756613_100000187820 [1,1,0,0,0,0|2,0,0]=4 1200 B13R1.147 CN(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_200000210301 [1,1,0,0,0,0|2,0,0]=4 1201 B13R1.147 CN(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_200000210301 [1,1,0,0,0,0|2,0,0]=4 1202 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)O 269982a_100000756613_100020667443 [1,1,0,0,0,0|1,0,1]=4 1203 B13R1.147 CN(CC(=O)[O-])c1cccc(c1)O 34a_100000756613_100020667443 [1,1,0,0,0,0|1,0,1]=4 1204 B13R1.147 NC(=O)CC(=O)c1cccc(c1)O 1458a_100000183914_100000187820 [1,1,0,0,0,0|1,0,1]=4 1205 B13R1.147 O=C([O-])CC(=O)c1cccc(c1)O 1458a_100000183914_100020667443 [1,1,0,0,0,0|0,0,2]=4 1206 B13R1.147 [13CH3]C(=O)C[C@H](O)c1cccc(c1)Cl 1458a_100010423400_200025704644 [1,1,0,0,0,0|2,0,0]=4 1207 B13R1.147 [13CH3]N(CC(=O)O)c1cccc(c1)Br 269956a_200011202421_200025704644 [1,1,0,0,0,0|2,0,0]=4 1208 B13R1.147 [13CH3]N(CC(=O)O)c1cccc(c1)Cl 269956a_100000741870_200025704644 [1,1,0,0,0,0|2,0,0]=4 1209 B13R1.150 CC(=O)CCc1cccc(c1C)C 1458a_100011218151_200000210301 [1,1,0,0,0,0|2,0,0]=4 1210 B13R1.150 CC(=O)CCc1cccc(c1C)F 1458a_100000069055_200000210301 [1,1,0,0,0,0|2,0,0]=4 1211 B13R1.150 CC(=O)CCc1cccc(c1Cl)Cl 1458a_100000070787_100000723033 [1,1,0,0,0,0|2,0,0]=4 1212 B13R1.150 CC(=O)CCc1cccc(c1Cl)Cl 1458a_100000739359_200000210301 [1,1,0,0,0,0|2,0,0]=4 1213 B13R1.150 CC(=O)CCc1cccc(c1F)Br 1458a_100012349569_200000210301 [1,1,0,0,0,0|2,0,0]=4 1214 B13R1.150 CC(=O)CCc1cccc(c1F)Cl 1458a_100012349026_200000210301 [1,1,0,0,0,0|2,0,0]=4 1215 B13R1.150 CC(=O)CCc1cccc(c1F)F 1458a_100000748811_200000210301 [1,1,0,0,0,0|2,0,0]=4 1216 B13R1.150 CC(=O)CCc1cccc(c1O)O 1458a_100009873524_200000210301 [1,1,0,0,0,0|1,0,0]=3 1217 B13R1.150 CC(=O)NCc1cccc(c1F)O 240690a_100025773512_100015343762 [1,1,0,0,0,0|2,0,0]=4 1218 B13R1.150 CC(=O)NCc1cccc(c1F)O 527a_100025773512_100103153847 [1,1,0,0,0,0|2,0,0]=4 1219 B13R1.150 Cc1c(cccc1CCC(=O)[13CH3])F 1458a_100000069055_200025704644 [1,1,0,0,0,0|2,0,0]=4 1220 B13R1.150 Cc1c(cccc1NCC(=O)N)O 34a_100011216573_100000187820 [1,1,0,0,0,0|2,0,0]=4 1221 B13R1.150 Cc1c(cccc1NCC(=O)N)O 7a_100011216573_100000187820 [1,1,0,0,0,0|2,0,0]=4 1222 B13R1.150 Cc1c(cccc1NCC(=O)[O-])O 34a_100011216573_100020667443 [1,1,0,0,0,0|1,0,1]=4 1223 B13R1.150 Cc1c(cccc1SCC(=O)N)O 62a_100000747473_100012002258 [1,1,0,0,0,0|2,0,0]=4 1224 B13R1.150 Cc1c(cccc1SCC(=O)N)O 62a_100012002258_100000747473 [1,1,0,0,0,0|2,0,0]=4 1225 B13R1.150 Cc1c(cccc1SCC(=O)[O-])O 62a_100012002258_100020667443 [1,1,0,0,0,0|1,0,1]=4 1226 B13R1.150 Cc1c(cccc1SCC(=O)[O-])O 62a_100020667443_100012002258 [1,1,0,0,0,0|1,0,1]=4 1227 B13R1.150 Cc1cccc(c1C)CCC(=O)[13CH3] 1458a_100011218151_200025704644 [1,1,0,0,0,0|2,0,0]=4 1228 B13R1.150 NC(=O)CNc1cccc(c1Br)O 34a_100012183704_100000187820 [1,1,0,0,0,0|2,0,0]=4 1229 B13R1.150 NC(=O)CNc1cccc(c1Br)O 7a_100012183704_100000187820 [1,1,0,0,0,0|2,0,0]=4 1230 B13R1.150 NC(=O)CNc1cccc(c1Cl)O 34a_100012002038_100000187820 [1,1,0,0,0,0|2,0,0]=4 1231 B13R1.150 NC(=O)CNc1cccc(c1Cl)O 7a_100012002038_100000187820 [1,1,0,0,0,0|2,0,0]=4 1232 B13R1.150 NC(=O)CSc1cccc(c1Br)O 62a_100000747473_100010187914 [1,1,0,0,0,0|2,0,0]=4 1233 B13R1.150 NC(=O)CSc1cccc(c1Br)O 62a_100010187914_100000747473 [1,1,0,0,0,0|2,0,0]=4 1234 B13R1.150 NC(=O)CSc1cccc(c1Cl)O 62a_100000747473_100000049636 [1,1,0,0,0,0|2,0,0]=4 1235 B13R1.150 NC(=O)CSc1cccc(c1F)O 62a_100000747473_100009817021 [1,1,0,0,0,0|2,0,0]=4 1236 B13R1.150 NC(=O)CSc1cccc(c1F)O 62a_100009817021_100000747473 [1,1,0,0,0,0|2,0,0]=4 1237 B13R1.150 NC(=O)CSc1cccc(c1N)O 62a_100000747473_100011934926 [1,1,0,0,0,0|2,0,0]=4 1238 B13R1.150 NC(=O)CSc1cccc(c1O)O 62a_100000747473_100009815950 [1,1,0,0,0,0|2,0,0]=4 1239 B13R1.150 Nc1c(cccc1SCC(=O)[O-])O 62a_100020667443_100011934926 [1,1,0,0,0,0|1,0,1]=4 1240 B13R1.150 O=C([O-])CNc1cccc(c1Br)O 34a_100012183704_100020667443 [1,1,0,0,0,0|1,0,1]=4 1241 B13R1.150 O=C([O-])CNc1cccc(c1Cl)O 34a_100012002038_100020667443 [1,1,0,0,0,0|1,0,1]=4 1242 B13R1.150 O=C([O-])CSc1cccc(c1Br)O 62a_100010187914_100020667443 [1,1,0,0,0,0|1,0,1]=4 1243 B13R1.150 O=C([O-])CSc1cccc(c1Br)O 62a_100020667443_100010187914 [1,1,0,0,0,0|1,0,1]=4 1244 B13R1.150 O=C([O-])CSc1cccc(c1Cl)O 62a_100020667443_100000049636 [1,1,0,0,0,0|1,0,1]=4 1245 B13R1.150 O=C([O-])CSc1cccc(c1F)O 62a_100009817021_100020667443 [1,1,0,0,0,0|1,0,1]=4 1246 B13R1.150 O=C([O-])CSc1cccc(c1F)O 62a_100020667443_100009817021 [1,1,0,0,0,0|1,0,1]=4 1247 B13R1.150 O=C([O-])CSc1cccc(c1O)O 62a_100020667443_100009815950 [1,1,0,0,0,0|1,0,1]=4 1248 B13R1.150 [13CH3]C(=O)CCc1cccc(c1Cl)Cl 1458a_100000739359_200025704644 [1,1,0,0,0,0|2,0,0]=4 1249 B13R1.150 [13CH3]C(=O)CCc1cccc(c1F)Br 1458a_100012349569_200025704644 [1,1,0,0,0,0|2,0,0]=4 1250 B13R1.150 [13CH3]C(=O)CCc1cccc(c1F)Cl 1458a_100012349026_200025704644 [1,1,0,0,0,0|2,0,0]=4 1251 B13R1.150 [13CH3]C(=O)CCc1cccc(c1F)F 1458a_100000748811_200025704644 [1,1,0,0,0,0|2,0,0]=4 1252 B13R1.150 [13CH3]C(=O)CCc1cccc(c1O)O 1458a_100009873524_200025704644 [1,1,0,0,0,0|1,0,0]=3 1253 B13R1.511 CC(=O)CCc1ccc(c(c1)Br)C 1458a_100010220830_200000210301 [1,1,0,0,0,0|2,0,0]=4 1254 B13R1.511 CC(=O)CCc1ccc(c(c1)Br)F 1458a_100011308364_200000210301 [1,1,0,0,0,0|2,0,0]=4 1255 B13R1.511 CC(=O)CCc1ccc(c(c1)C)C 1458a_100011338283_200000210301 [1,1,0,0,0,0|2,0,0]=4 1256 B13R1.511 CC(=O)CCc1ccc(c(c1)C)F 1458a_100011615030_200000210301 [1,1,0,0,0,0|2,0,0]=4 1257 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Br 1458a_100009812081_200000210301 [1,1,0,0,0,0|2,0,0]=4 1258 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000070787_100011713676 [1,1,0,0,0,0|2,0,0]=4 1259 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000735579_200000210301 [1,1,0,0,0,0|2,0,0]=4 1260 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)F 1458a_100000070787_100012361305 [1,1,0,0,0,0|2,0,0]=4 1261 B13R1.511 CC(=O)CCc1ccc(c(c1)Cl)F 1458a_100011218152_200000210301 [1,1,0,0,0,0|2,0,0]=4 1262 B13R1.511 CC(=O)CCc1ccc(c(c1)F)Br 1458a_100010146367_200000210301 [1,1,0,0,0,0|2,0,0]=4 1263 B13R1.511 CC(=O)CCc1ccc(c(c1)F)C 1458a_100011830284_200000210301 [1,1,0,0,0,0|2,0,0]=4 1264 B13R1.511 CC(=O)CCc1ccc(c(c1)F)Cl 1458a_100011518922_200000210301 [1,1,0,0,0,0|2,0,0]=4 1265 B13R1.511 CC(=O)CCc1ccc(c(c1)F)F 1458a_100000070787_100000690553 [1,1,0,0,0,0|2,0,0]=4 1266 B13R1.511 CC(=O)CCc1ccc(c(c1)F)F 1458a_100000737970_200000210301 [1,1,0,0,0,0|2,0,0]=4 1267 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200000210301 [1,1,0,0,0,0|1,0,0]=3 1268 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000070787_200010393615 [1,1,0,0,0,0|1,0,0]=3 1269 B13R1.511 CC(=O)NCc1ccc(c(c1)O)Cl 240690a_100020636435_100015343762 [1,1,0,0,0,0|2,0,0]=4 1270 B13R1.511 CC(=O)NCc1ccc(c(c1)O)Cl 527a_100020636435_100103153847 [1,1,0,0,0,0|2,0,0]=4 1271 B13R1.511 CC(=O)NCc1ccc(c(c1)O)F 240690a_100160469508_100015343762 [1,1,0,0,0,0|2,0,0]=4 1272 B13R1.511 CC(=O)NCc1ccc(c(c1)O)F 527a_100160469508_100103153847 [1,1,0,0,0,0|2,0,0]=4 1273 B13R1.511 CC(=O)NCc1ccc(c(c1)O)O 240690a_100000010075_100015343762 [1,1,0,0,0,0|2,0,0]=4 1274 B13R1.511 Cc1cc(ccc1F)CCC(=O)[13CH3] 1458a_100011615030_200025704644 [1,1,0,0,0,0|2,0,0]=4 1275 B13R1.511 Cc1ccc(cc1Br)CCC(=O)[13CH3] 1458a_100010220830_200025704644 [1,1,0,0,0,0|2,0,0]=4 1276 B13R1.511 Cc1ccc(cc1C)CCC(=O)[13CH3] 1458a_100011338283_200025704644 [1,1,0,0,0,0|2,0,0]=4 1277 B13R1.511 Cc1ccc(cc1F)CCC(=O)[13CH3] 1458a_100011830284_200025704644 [1,1,0,0,0,0|2,0,0]=4 1278 B13R1.511 Cc1ccc(cc1O)NCC(=O)N 34a_100000759471_100000187820 [1,1,0,0,0,0|2,0,0]=4 1279 B13R1.511 Cc1ccc(cc1O)NCC(=O)N 7a_100000759471_100000187820 [1,1,0,0,0,0|2,0,0]=4 1280 B13R1.511 Cc1ccc(cc1O)NCC(=O)[O-] 34a_100000759471_100020667443 [1,1,0,0,0,0|1,0,1]=4 1281 B13R1.511 Cc1ccc(cc1O)SCC(=O)N 62a_100000685420_100000747473 [1,1,0,0,0,0|2,0,0]=4 1282 B13R1.511 Cc1ccc(cc1O)SCC(=O)N 62a_100000747473_100000685420 [1,1,0,0,0,0|2,0,0]=4 1283 B13R1.511 Cc1ccc(cc1O)SCC(=O)[O-] 62a_100000685420_100020667443 [1,1,0,0,0,0|1,0,1]=4 1284 B13R1.511 Cc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100000685420 [1,1,0,0,0,0|1,0,1]=4 1285 B13R1.511 NC(=O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100000187820 [1,1,0,0,0,0|2,0,0]=4 1286 B13R1.511 NC(=O)CNc1ccc(c(c1)O)F 34a_100012017398_100000187820 [1,1,0,0,0,0|2,0,0]=4 1287 B13R1.511 NC(=O)CNc1ccc(c(c1)O)F 7a_100012017398_100000187820 [1,1,0,0,0,0|2,0,0]=4 1288 B13R1.511 NC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000187820 [1,1,0,0,0,0|2,0,0]=4 1289 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Br 62a_100000747473_100012356990 [1,1,0,0,0,0|2,0,0]=4 1290 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Br 62a_100012356990_100000747473 [1,1,0,0,0,0|2,0,0]=4 1291 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Cl 62a_100000747473_100011356854 [1,1,0,0,0,0|2,0,0]=4 1292 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000747473 [1,1,0,0,0,0|2,0,0]=4 1293 B13R1.511 NC(=O)CSc1ccc(c(c1)O)F 62a_100000686035_100000747473 [1,1,0,0,0,0|2,0,0]=4 1294 B13R1.511 NC(=O)CSc1ccc(c(c1)O)F 62a_100000747473_100000686035 [1,1,0,0,0,0|2,0,0]=4 1295 B13R1.511 NC(=O)CSc1ccc(c(c1)O)N 62a_100000739049_100000747473 [1,1,0,0,0,0|2,0,0]=4 1296 B13R1.511 NC(=O)CSc1ccc(c(c1)O)N 62a_100000747473_100000739049 [1,1,0,0,0,0|2,0,0]=4 1297 B13R1.511 NC(=O)CSc1ccc(c(c1)O)O 62a_100000747473_100009813601 [1,1,0,0,0,0|2,0,0]=4 1298 B13R1.511 Nc1ccc(cc1O)SCC(=O)[O-] 62a_100000739049_100020667443 [1,1,0,0,0,0|1,0,1]=4 1299 B13R1.511 Nc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100000739049 [1,1,0,0,0,0|1,0,1]=4 1300 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)Cl 34a_100011934209_100020667443 [1,1,0,0,0,0|1,0,1]=4 1301 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)F 34a_100012017398_100020667443 [1,1,0,0,0,0|1,0,1]=4 1302 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)O 34a_100102946323_100020667443 [1,1,0,0,0,0|1,0,1]=4 1303 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Br 62a_100012356990_100020667443 [1,1,0,0,0,0|1,0,1]=4 1304 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Br 62a_100020667443_100012356990 [1,1,0,0,0,0|1,0,1]=4 1305 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Cl 62a_100011356854_100020667443 [1,1,0,0,0,0|1,0,1]=4 1306 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Cl 62a_100020667443_100011356854 [1,1,0,0,0,0|1,0,1]=4 1307 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)F 62a_100000686035_100020667443 [1,1,0,0,0,0|1,0,1]=4 1308 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)F 62a_100020667443_100000686035 [1,1,0,0,0,0|1,0,1]=4 1309 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)O 62a_100020667443_100009813601 [1,1,0,0,0,0|1,0,1]=4 1310 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Br)F 1458a_100011308364_200025704644 [1,1,0,0,0,0|2,0,0]=4 1311 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)Br 1458a_100009812081_200025704644 [1,1,0,0,0,0|2,0,0]=4 1312 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)Cl 1458a_100000735579_200025704644 [1,1,0,0,0,0|2,0,0]=4 1313 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)Cl)F 1458a_100011218152_200025704644 [1,1,0,0,0,0|2,0,0]=4 1314 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)Br 1458a_100010146367_200025704644 [1,1,0,0,0,0|2,0,0]=4 1315 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)Cl 1458a_100011518922_200025704644 [1,1,0,0,0,0|2,0,0]=4 1316 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)F)F 1458a_100000737970_200025704644 [1,1,0,0,0,0|2,0,0]=4 1317 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200025704644 [1,1,0,0,0,0|1,0,0]=3 1318 B13R1.643 C=Cc1cccc(c1)CCC(=O)C 271570a_100011290941_100011279149 [1,1,0,0,0,0|2,0,0]=4 1319 B13R1.643 C=Cc1cccc(c1)CCC(=O)N 271570a_100011290941_100000162029 [1,1,0,0,0,0|2,0,0]=4 1320 B13R1.643 CC(=O)CCc1cccc(c1)C#N 1458a_100011998624_200000210301 [1,1,0,0,0,0|2,0,0]=4 1321 B13R1.643 CC(=O)CCc1cccc(c1)S[13CH3] 62a_100011279149_200025704644 [1,1,0,0,0,0|1,1,0]=4 1322 B13R1.643 CC(=O)CCc1cccc(c1)S[13CH3] 62a_200025704644_100011279149 [1,1,0,0,0,0|1,1,0]=4 1323 B13R1.643 CC(=O)NCc1cccc(c1)CO 240690a_100011269909_100015343762 [1,1,0,0,0,0|2,0,0]=4 1324 B13R1.643 CC(=O)NCc1cccc(c1)CO 527a_100011269909_100103153847 [1,1,0,0,0,0|2,0,0]=4 1325 B13R1.643 COc1cccc(c1)CCC(=O)C 1458a_100000070787_100011713679 [1,1,0,0,0,0|1,0,0]=3 1326 B13R1.643 COc1cccc(c1)CCC(=O)C 1458a_100000234931_200000210301 [1,1,0,0,0,0|1,0,0]=3 1327 B13R1.643 COc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234931_200025704644 [1,1,0,0,0,0|1,0,0]=3 1328 B13R1.643 COc1cccc(c1)CNC(=O)C 11a_100000174954_100015343762 [1,1,0,0,0,0|2,0,0]=4 1329 B13R1.643 COc1cccc(c1)CNC(=O)C 1626a_100000174954_100015343762 [1,1,0,0,0,0|2,0,0]=4 1330 B13R1.643 COc1cccc(c1)CNC(=O)C 240690a_100000174954_100015343762 [1,1,0,0,0,0|2,0,0]=4 1331 B13R1.643 COc1cccc(c1)CNC(=O)C 527a_100000174954_100103153847 [1,1,0,0,0,0|2,0,0]=4 1332 B13R1.643 COc1cccc(c1)NCC(=O)N 34a_100000210024_100000187820 [1,1,0,0,0,0|2,0,0]=4 1333 B13R1.643 COc1cccc(c1)NCC(=O)[O-] 34a_100000210024_100020667443 [1,1,0,0,0,0|1,0,1]=4 1334 B13R1.643 COc1cccc(c1)OCC(=O)C 1458a_100000182123_200000210301 [1,1,0,0,0,0|2,0,0]=4 1335 B13R1.643 COc1cccc(c1)OCC(=O)N 34a_100000211255_100000187820 [1,1,0,0,0,0|2,0,0]=4 1336 B13R1.643 COc1cccc(c1)OCC(=O)N 7a_100000211255_100000187820 [1,1,0,0,0,0|2,0,0]=4 1337 B13R1.643 COc1cccc(c1)OCC(=O)[13CH3] 1458a_100000182123_200025704644 [1,1,0,0,0,0|2,0,0]=4 1338 B13R1.643 COc1cccc(c1)OCC(=O)[O-] 34a_100000211255_100020667443 [1,1,0,0,0,0|1,0,1]=4 1339 B13R1.643 COc1cccc(c1)SCC(=O)C 1458a_100000741315_200000210301 [1,1,0,0,0,0|2,0,0]=4 1340 B13R1.643 COc1cccc(c1)SCC(=O)N 62a_100000747473_100000170001 [1,1,0,0,0,0|2,0,0]=4 1341 B13R1.643 COc1cccc(c1)SCC(=O)[13CH3] 1458a_100000741315_200025704644 [1,1,0,0,0,0|2,0,0]=4 1342 B13R1.643 COc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000170001 [1,1,0,0,0,0|1,0,1]=4 1343 B13R1.643 CSc1cccc(c1)CCC(=O)C 62a_100011279149_200000210301 [1,1,0,0,0,0|1,1,0]=4 1344 B13R1.643 CSc1cccc(c1)CCC(=O)C 62a_200000210301_100011279149 [1,1,0,0,0,0|1,1,0]=4 1345 B13R1.643 CSc1cccc(c1)CCC(=O)N 62a_100000162029_200000210301 [1,1,0,0,0,0|1,1,0]=4 1346 B13R1.643 CSc1cccc(c1)CCC(=O)N 62a_200000210301_100000162029 [1,1,0,0,0,0|1,1,0]=4 1347 B13R1.643 NC(=O)CNc1cccc(c1)CO 2230a_100000211919_100000747473 [1,1,0,0,0,0|2,0,0]=4 1348 B13R1.643 NC(=O)CNc1cccc(c1)CO 34a_100000211919_100000187820 [1,1,0,0,0,0|2,0,0]=4 1349 B13R1.643 NC(=O)COc1cccc(c1)CO 34a_100011214949_100000187820 [1,1,0,0,0,0|2,0,0]=4 1350 B13R1.643 NC(=O)COc1cccc(c1)CO 7a_100011214949_100000187820 [1,1,0,0,0,0|2,0,0]=4 1351 B13R1.643 NC(=O)CSc1cccc(c1)CO 62a_100000687537_100000747473 [1,1,0,0,0,0|2,0,0]=4 1352 B13R1.643 NC(=O)CSc1cccc(c1)CO 62a_100000747473_100000687537 [1,1,0,0,0,0|2,0,0]=4 1353 B13R1.643 O=C([O-])CNc1cccc(c1)CO 34a_100000211919_100020667443 [1,1,0,0,0,0|1,0,1]=4 1354 B13R1.643 O=C([O-])COc1cccc(c1)CO 34a_100011214949_100020667443 [1,1,0,0,0,0|1,0,1]=4 1355 B13R1.643 O=C([O-])CSc1cccc(c1)CO 62a_100000687537_100020667443 [1,1,0,0,0,0|1,0,1]=4 1356 B13R1.643 O=C([O-])CSc1cccc(c1)CO 62a_100020667443_100000687537 [1,1,0,0,0,0|1,0,1]=4 1357 B13R1.643 [13CH3]C(=O)CCc1cccc(c1)C#N 1458a_100011998624_200025704644 [1,1,0,0,0,0|2,0,0]=4 1358 B13R1.643 [13CH3]Sc1cccc(c1)CCC(=O)N 62a_100000162029_200025704644 [1,1,0,0,0,0|1,1,0]=4 1359 B13R1.643 [13CH3]Sc1cccc(c1)CCC(=O)N 62a_200025704644_100000162029 [1,1,0,0,0,0|1,1,0]=4 1360 B13R1.893 CC(=O)CCc1cc(ccc1Br)F 1458a_100000685340_200000210301 [1,1,0,0,0,0|2,0,0]=4 1361 B13R1.893 CC(=O)CCc1cc(ccc1C)C 1458a_100011485725_200000210301 [1,1,0,0,0,0|2,0,0]=4 1362 B13R1.893 CC(=O)CCc1cc(ccc1C)F 1458a_100011830270_200000210301 [1,1,0,0,0,0|2,0,0]=4 1363 B13R1.893 CC(=O)CCc1cc(ccc1Cl)Br 1458a_100010145785_200000210301 [1,1,0,0,0,0|2,0,0]=4 1364 B13R1.893 CC(=O)CCc1cc(ccc1Cl)Cl 1458a_200012258936_200000210301 [1,1,0,0,0,0|2,0,0]=4 1365 B13R1.893 CC(=O)CCc1cc(ccc1Cl)F 1458a_100012357546_200000210301 [1,1,0,0,0,0|2,0,0]=4 1366 B13R1.893 CC(=O)CCc1cc(ccc1F)Br 1458a_100000694007_200000210301 [1,1,0,0,0,0|2,0,0]=4 1367 B13R1.893 CC(=O)CCc1cc(ccc1F)C 1458a_100011934859_200000210301 [1,1,0,0,0,0|2,0,0]=4 1368 B13R1.893 CC(=O)CCc1cc(ccc1F)Cl 1458a_200012349660_200000210301 [1,1,0,0,0,0|2,0,0]=4 1369 B13R1.893 CC(=O)CCc1cc(ccc1F)F 1458a_100000070787_100011755056 [1,1,0,0,0,0|2,0,0]=4 1370 B13R1.893 CC(=O)CCc1cc(ccc1F)F 1458a_100000744313_200000210301 [1,1,0,0,0,0|2,0,0]=4 1371 B13R1.893 CC(=O)NCc1cc(ccc1C)O 240690a_200009844824_100015343762 [1,1,0,0,0,0|2,0,0]=4 1372 B13R1.893 CC(=O)NCc1cc(ccc1C)O 527a_200009844824_100103153847 [1,1,0,0,0,0|2,0,0]=4 1373 B13R1.893 Cc1ccc(c(c1)CCC(=O)[13CH3])C 1458a_100011485725_200025704644 [1,1,0,0,0,0|2,0,0]=4 1374 B13R1.893 Cc1ccc(c(c1)CCC(=O)[13CH3])F 1458a_100011934859_200025704644 [1,1,0,0,0,0|2,0,0]=4 1375 B13R1.893 Cc1ccc(cc1CCC(=O)[13CH3])F 1458a_100011830270_200025704644 [1,1,0,0,0,0|2,0,0]=4 1376 B13R1.893 Cc1ccc(cc1NCC(=O)N)O 34a_100011216113_100000187820 [1,1,0,0,0,0|2,0,0]=4 1377 B13R1.893 Cc1ccc(cc1NCC(=O)[O-])O 34a_100011216113_100020667443 [1,1,0,0,0,0|1,0,1]=4 1378 B13R1.893 Cc1ccc(cc1SCC(=O)N)O 62a_100000747473_100011380479 [1,1,0,0,0,0|2,0,0]=4 1379 B13R1.893 Cc1ccc(cc1SCC(=O)N)O 62a_100011380479_100000747473 [1,1,0,0,0,0|2,0,0]=4 1380 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])O 62a_100011380479_100020667443 [1,1,0,0,0,0|1,0,1]=4 1381 B13R1.893 Cc1ccc(cc1SCC(=O)[O-])O 62a_100020667443_100011380479 [1,1,0,0,0,0|1,0,1]=4 1382 B13R1.893 NC(=O)CNc1cc(ccc1Br)O 34a_100011999798_100000187820 [1,1,0,0,0,0|2,0,0]=4 1383 B13R1.893 NC(=O)CNc1cc(ccc1Cl)O 34a_100011934297_100000187820 [1,1,0,0,0,0|2,0,0]=4 1384 B13R1.893 NC(=O)CNc1cc(ccc1F)O 34a_100012017239_100000187820 [1,1,0,0,0,0|2,0,0]=4 1385 B13R1.893 NC(=O)CSc1cc(ccc1Br)O 62a_100000747473_100012339312 [1,1,0,0,0,0|2,0,0]=4 1386 B13R1.893 NC(=O)CSc1cc(ccc1Br)O 62a_100012339312_100000747473 [1,1,0,0,0,0|2,0,0]=4 1387 B13R1.893 NC(=O)CSc1cc(ccc1Cl)O 62a_100000049588_100000747473 [1,1,0,0,0,0|2,0,0]=4 1388 B13R1.893 NC(=O)CSc1cc(ccc1Cl)O 62a_100000747473_100000049588 [1,1,0,0,0,0|2,0,0]=4 1389 B13R1.893 NC(=O)CSc1cc(ccc1F)O 62a_100000693481_100000747473 [1,1,0,0,0,0|2,0,0]=4 1390 B13R1.893 NC(=O)CSc1cc(ccc1F)O 62a_100000747473_100000693481 [1,1,0,0,0,0|2,0,0]=4 1391 B13R1.893 NC(=O)CSc1cc(ccc1N)O 62a_100000747473_100012001276 [1,1,0,0,0,0|2,0,0]=4 1392 B13R1.893 NC(=O)CSc1cc(ccc1N)O 62a_100012001276_100000747473 [1,1,0,0,0,0|2,0,0]=4 1393 B13R1.893 NC(=O)CSc1cc(ccc1O)O 62a_100000747473_100009813629 [1,1,0,0,0,0|2,0,0]=4 1394 B13R1.893 Nc1ccc(cc1SCC(=O)[O-])O 62a_100012001276_100020667443 [1,1,0,0,0,0|1,0,1]=4 1395 B13R1.893 Nc1ccc(cc1SCC(=O)[O-])O 62a_100020667443_100012001276 [1,1,0,0,0,0|1,0,1]=4 1396 B13R1.893 O=C([O-])CNc1cc(ccc1Br)O 34a_100011999798_100020667443 [1,1,0,0,0,0|1,0,1]=4 1397 B13R1.893 O=C([O-])CNc1cc(ccc1Cl)O 34a_100011934297_100020667443 [1,1,0,0,0,0|1,0,1]=4 1398 B13R1.893 O=C([O-])CNc1cc(ccc1F)O 34a_100012017239_100020667443 [1,1,0,0,0,0|1,0,1]=4 1399 B13R1.893 O=C([O-])CSc1cc(ccc1Br)O 62a_100012339312_100020667443 [1,1,0,0,0,0|1,0,1]=4 1400 B13R1.893 O=C([O-])CSc1cc(ccc1Br)O 62a_100020667443_100012339312 [1,1,0,0,0,0|1,0,1]=4 1401 B13R1.893 O=C([O-])CSc1cc(ccc1Cl)O 62a_100000049588_100020667443 [1,1,0,0,0,0|1,0,1]=4 1402 B13R1.893 O=C([O-])CSc1cc(ccc1Cl)O 62a_100020667443_100000049588 [1,1,0,0,0,0|1,0,1]=4 1403 B13R1.893 O=C([O-])CSc1cc(ccc1F)O 62a_100000693481_100020667443 [1,1,0,0,0,0|1,0,1]=4 1404 B13R1.893 O=C([O-])CSc1cc(ccc1F)O 62a_100020667443_100000693481 [1,1,0,0,0,0|1,0,1]=4 1405 B13R1.893 O=C([O-])CSc1cc(ccc1O)O 62a_100020667443_100009813629 [1,1,0,0,0,0|1,0,1]=4 1406 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Br)F 1458a_100000685340_200025704644 [1,1,0,0,0,0|2,0,0]=4 1407 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Cl)Br 1458a_100010145785_200025704644 [1,1,0,0,0,0|2,0,0]=4 1408 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Cl)Cl 1458a_200012258936_200025704644 [1,1,0,0,0,0|2,0,0]=4 1409 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1Cl)F 1458a_100012357546_200025704644 [1,1,0,0,0,0|2,0,0]=4 1410 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1F)Br 1458a_100000694007_200025704644 [1,1,0,0,0,0|2,0,0]=4 1411 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1F)Cl 1458a_200012349660_200025704644 [1,1,0,0,0,0|2,0,0]=4 1412 B13R1.893 [13CH3]C(=O)CCc1cc(ccc1F)F 1458a_100000744313_200025704644 [1,1,0,0,0,0|2,0,0]=4 1413 B13R1.3420 CC(=O)CCc1cc(cc(c1)Br)Br 1458a_100010253072_200000210301 [1,1,0,0,0,0|2,0,0]=4 1414 B13R1.3420 CC(=O)CCc1cc(cc(c1)Br)F 1458a_100012357547_200000210301 [1,1,0,0,0,0|2,0,0]=4 1415 B13R1.3420 CC(=O)CCc1cc(cc(c1)C)C 1458a_100000688337_200000210301 [1,1,0,0,0,0|2,0,0]=4 1416 B13R1.3420 CC(=O)CCc1cc(cc(c1)Cl)Cl 1458a_100000070787_100000691793 [1,1,0,0,0,0|2,0,0]=4 1417 B13R1.3420 CC(=O)CCc1cc(cc(c1)Cl)Cl 1458a_100000689174_200000210301 [1,1,0,0,0,0|2,0,0]=4 1418 B13R1.3420 CC(=O)CCc1cc(cc(c1)F)F 1458a_100000070787_100011754442 [1,1,0,0,0,0|2,0,0]=4 1419 B13R1.3420 CC(=O)CCc1cc(cc(c1)F)F 1458a_100011934504_200000210301 [1,1,0,0,0,0|2,0,0]=4 1420 B13R1.3420 CC(=O)NCc1cc(cc(c1)Cl)O 240690a_107254831445_100015343762 [1,1,0,0,0,0|2,0,0]=4 1421 B13R1.3420 CC(=O)NCc1cc(cc(c1)Cl)O 527a_107254831445_100103153847 [1,1,0,0,0,0|2,0,0]=4 1422 B13R1.3420 CC(=O)NCc1cc(cc(c1)F)O 240690a_100160469513_100015343762 [1,1,0,0,0,0|2,0,0]=4 1423 B13R1.3420 CC(=O)NCc1cc(cc(c1)F)O 527a_100160469513_100103153847 [1,1,0,0,0,0|2,0,0]=4 1424 B13R1.3420 CC(=O)NCc1cc(cc(c1)O)O 240690a_100159270720_100015343762 [1,1,0,0,0,0|2,0,0]=4 1425 B13R1.3420 CC(=O)NCc1cc(cc(c1)O)O 527a_100159270720_100103153847 [1,1,0,0,0,0|2,0,0]=4 1426 B13R1.3420 Cc1cc(cc(c1)CCC(=O)[13CH3])C 1458a_100000688337_200025704644 [1,1,0,0,0,0|2,0,0]=4 1427 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)O 34a_100011995906_100000187820 [1,1,0,0,0,0|2,0,0]=4 1428 B13R1.3420 Cc1cc(cc(c1)NCC(=O)N)O 7a_100011995906_100000187820 [1,1,0,0,0,0|2,0,0]=4 1429 B13R1.3420 Cc1cc(cc(c1)NCC(=O)[O-])O 34a_100011995906_100020667443 [1,1,0,0,0,0|1,0,1]=4 1430 B13R1.3420 Cc1cc(cc(c1)SCC(=O)N)O 62a_100000747473_100011999630 [1,1,0,0,0,0|2,0,0]=4 1431 B13R1.3420 Cc1cc(cc(c1)SCC(=O)[O-])O 62a_100020667443_100011999630 [1,1,0,0,0,0|1,0,1]=4 1432 B13R1.3420 NC(=O)CNc1cc(cc(c1)Cl)O 34a_100000123917_100000187820 [1,1,0,0,0,0|2,0,0]=4 1433 B13R1.3420 NC(=O)CNc1cc(cc(c1)Cl)O 7a_100000123917_100000187820 [1,1,0,0,0,0|2,0,0]=4 1434 B13R1.3420 NC(=O)CNc1cc(cc(c1)O)O 34a_100000043371_100000187820 [1,1,0,0,0,0|2,0,0]=4 1435 B13R1.3420 NC(=O)CSc1cc(cc(c1)Br)O 62a_100000747473_100010068917 [1,1,0,0,0,0|2,0,0]=4 1436 B13R1.3420 NC(=O)CSc1cc(cc(c1)Br)O 62a_100010068917_100000747473 [1,1,0,0,0,0|2,0,0]=4 1437 B13R1.3420 NC(=O)CSc1cc(cc(c1)Cl)O 62a_100000747473_100010068924 [1,1,0,0,0,0|2,0,0]=4 1438 B13R1.3420 NC(=O)CSc1cc(cc(c1)Cl)O 62a_100010068924_100000747473 [1,1,0,0,0,0|2,0,0]=4 1439 B13R1.3420 NC(=O)CSc1cc(cc(c1)F)O 62a_100000688818_100000747473 [1,1,0,0,0,0|2,0,0]=4 1440 B13R1.3420 NC(=O)CSc1cc(cc(c1)F)O 62a_100000747473_100000688818 [1,1,0,0,0,0|2,0,0]=4 1441 B13R1.3420 NC(=O)CSc1cc(cc(c1)O)O 62a_100000747473_100009868816 [1,1,0,0,0,0|2,0,0]=4 1442 B13R1.3420 O=C([O-])CNc1cc(cc(c1)Cl)O 34a_100000123917_100020667443 [1,1,0,0,0,0|1,0,1]=4 1443 B13R1.3420 O=C([O-])CNc1cc(cc(c1)O)O 34a_100000043371_100020667443 [1,1,0,0,0,0|1,0,1]=4 1444 B13R1.3420 O=C([O-])CSc1cc(cc(c1)Br)O 62a_100010068917_100020667443 [1,1,0,0,0,0|1,0,1]=4 1445 B13R1.3420 O=C([O-])CSc1cc(cc(c1)Br)O 62a_100020667443_100010068917 [1,1,0,0,0,0|1,0,1]=4 1446 B13R1.3420 O=C([O-])CSc1cc(cc(c1)Cl)O 62a_100010068924_100020667443 [1,1,0,0,0,0|1,0,1]=4 1447 B13R1.3420 O=C([O-])CSc1cc(cc(c1)Cl)O 62a_100020667443_100010068924 [1,1,0,0,0,0|1,0,1]=4 1448 B13R1.3420 O=C([O-])CSc1cc(cc(c1)F)O 62a_100000688818_100020667443 [1,1,0,0,0,0|1,0,1]=4 1449 B13R1.3420 O=C([O-])CSc1cc(cc(c1)F)O 62a_100020667443_100000688818 [1,1,0,0,0,0|1,0,1]=4 1450 B13R1.3420 O=C([O-])CSc1cc(cc(c1)O)O 62a_100020667443_100009868816 [1,1,0,0,0,0|1,0,1]=4 1451 B13R1.3420 [13CH3]C(=O)CCc1cc(cc(c1)Br)Br 1458a_100010253072_200025704644 [1,1,0,0,0,0|2,0,0]=4 1452 B13R1.3420 [13CH3]C(=O)CCc1cc(cc(c1)Br)F 1458a_100012357547_200025704644 [1,1,0,0,0,0|2,0,0]=4 1453 B13R1.3420 [13CH3]C(=O)CCc1cc(cc(c1)Cl)Cl 1458a_100000689174_200025704644 [1,1,0,0,0,0|2,0,0]=4 1454 B13R1.3420 [13CH3]C(=O)CCc1cc(cc(c1)F)F 1458a_100011934504_200025704644 [1,1,0,0,0,0|2,0,0]=4 1455 B13R1.510 CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200000210301 [0,1,0,0,1,0|2,0,0]=4 1456 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200025704644 [0,1,0,0,1,0|2,0,0]=4 1457 B13R1.716 CNC(C(=O)O)c1cccc(c1)Br 269956a_100025717458_200000210301 [0,1,0,0,1,0|1,0,0]=3 1458 B13R1.716 CNC(C(=O)O)c1cccc(c1)C 269956a_100015207286_200000210301 [0,1,0,0,1,0|1,0,0]=3 1459 B13R1.716 CNC(C(=O)O)c1cccc(c1)Cl 269956a_100000752362_200000210301 [0,1,0,0,1,0|1,0,0]=3 1460 B13R1.716 CNC(C(=O)O)c1cccc(c1)F 269956a_100000752392_200000210301 [0,1,0,0,1,0|1,0,0]=3 1461 B13R1.716 Cc1cccc(c1)C(N[13CH3])C(=O)O 269956a_100015207286_200025704644 [0,1,0,0,1,0|1,0,0]=3 1462 B13R1.716 [13CH3]NC(C(=O)O)c1cccc(c1)Br 269956a_100025717458_200025704644 [0,1,0,0,1,0|1,0,0]=3 1463 B13R1.716 [13CH3]NC(C(=O)O)c1cccc(c1)Cl 269956a_100000752362_200025704644 [0,1,0,0,1,0|1,0,0]=3 1464 B13R1.716 [13CH3]NC(C(=O)O)c1cccc(c1)F 269956a_100000752392_200025704644 [0,1,0,0,1,0|1,0,0]=3 1465 B13R1.3493 CC(C)(C(=O)N)c1cccc(c1)O 271570a_203496583355_200009815690 [0,1,0,0,1,0|2,0,0]=4 1466 B15R1.884 CC(NCc1ccc(c(c1)O)Cl)C(=O)N 34a_100020636435_100000702099 [0,1,0,0,0,1|2,0,0]=4 1467 B15R1.884 CC(NCc1ccc(c(c1)O)F)C(=O)N 34a_100160469508_100000702099 [0,1,0,0,0,1|2,0,0]=4 1468 B15R1.884 CC(NCc1ccc(c(c1)O)O)C(=O)N 34a_100000010075_100000702099 [0,1,0,0,0,1|2,0,0]=4 1469 B15R1.884 C[C@H](NCc1ccc(c(c1)Br)Br)C(=O)O 269956a_100000743915_100012353900 [0,1,0,0,0,1|2,0,0]=4 1470 B15R1.884 C[C@H](NCc1ccc(c(c1)Br)Cl)C(=O)O 269956a_100000743915_100012353894 [0,1,0,0,0,1|2,0,0]=4 1471 B15R1.884 C[C@H](NCc1ccc(c(c1)Br)F)C(=O)O 269956a_100000743915_100000743011 [0,1,0,0,0,1|2,0,0]=4 1472 B15R1.884 C[C@H](NCc1ccc(c(c1)Cl)Br)C(=O)O 269956a_100000743915_100012353895 [0,1,0,0,0,1|2,0,0]=4 1473 B15R1.884 C[C@H](NCc1ccc(c(c1)Cl)Cl)C(=O)O 269956a_100000743915_100000188800 [0,1,0,0,0,1|2,0,0]=4 1474 B15R1.884 C[C@H](NCc1ccc(c(c1)Cl)F)C(=O)O 269956a_100000743915_100000717365 [0,1,0,0,0,1|2,0,0]=4 1475 B15R1.884 C[C@H](NCc1ccc(c(c1)Cl)I)C(=O)O 269956a_100000743915_100012349665 [0,1,0,0,0,1|2,0,0]=4 1476 B15R1.884 C[C@H](NCc1ccc(c(c1)F)Br)C(=O)O 269956a_100000743915_100000767054 [0,1,0,0,0,1|2,0,0]=4 1477 B15R1.884 C[C@H](NCc1ccc(c(c1)F)Cl)C(=O)O 269956a_100000743915_100000716492 [0,1,0,0,0,1|2,0,0]=4 1478 B15R1.884 C[C@H](NCc1ccc(c(c1)F)F)C(=O)O 269956a_100000743915_100000757363 [0,1,0,0,0,1|2,0,0]=4 1479 B15R1.884 C[C@H](NCc1ccc(c(c1)F)I)C(=O)O 269956a_100000743915_100010149604 [0,1,0,0,0,1|2,0,0]=4 1480 B15R1.884 C[C@H](NCc1ccc(c(c1)I)Br)C(=O)O 269956a_100000743915_100010146616 [0,1,0,0,0,1|2,0,0]=4 1481 B15R1.884 C[C@H](NCc1ccc(c(c1)I)F)C(=O)O 269956a_100000743915_100010188208 [0,1,0,0,0,1|2,0,0]=4 1482 B15R1.884 Cc1cc(ccc1Br)CN[C@@H](C)C(=O)O 269956a_100000743915_100000727479 [0,1,0,0,0,1|2,0,0]=4 1483 B15R1.884 Cc1cc(ccc1Cl)CN[C@@H](C)C(=O)O 269956a_100000743915_100012184735 [0,1,0,0,0,1|2,0,0]=4 1484 B15R1.884 Cc1cc(ccc1F)CN[C@@H](C)C(=O)O 269956a_100000743915_100011216667 [0,1,0,0,0,1|2,0,0]=4 1485 B15R1.884 Cc1ccc(cc1Br)CN[C@@H](C)C(=O)O 269956a_100000743915_100012232412 [0,1,0,0,0,1|2,0,0]=4 1486 B15R1.884 Cc1ccc(cc1C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000742320 [0,1,0,0,0,1|2,0,0]=4 1487 B15R1.884 Cc1ccc(cc1Cl)CN[C@@H](C)C(=O)O 269956a_100000743915_100011823929 [0,1,0,0,0,1|2,0,0]=4 1488 B15R1.884 Cc1ccc(cc1F)CN[C@@H](C)C(=O)O 269956a_100000743915_100011217369 [0,1,0,0,0,1|2,0,0]=4 1489 B15R1.884 Cc1ccc(cc1I)CN[C@@H](C)C(=O)O 269956a_100000743915_100010206137 [0,1,0,0,0,1|2,0,0]=4 1490 B15R1.884 NC(=O)C(F)NCc1ccc(c(c1)O)Cl 34a_100020636435_100009813875 [0,1,0,0,0,1|2,0,0]=4 1491 B15R1.884 NC(=O)C(F)NCc1ccc(c(c1)O)F 34a_100160469508_100009813875 [0,1,0,0,0,1|2,0,0]=4 1492 B15R1.884 NC(=O)C(F)NCc1ccc(c(c1)O)O 34a_100000010075_100009813875 [0,1,0,0,0,1|2,0,0]=4 1493 B15R1.884 O=C([O-])C(F)NCc1ccc(c(c1)O)Cl 34a_100020636435_100020610796 [0,1,0,0,0,1|1,0,1]=4 1494 B15R1.884 O=C([O-])C(F)NCc1ccc(c(c1)O)F 34a_100160469508_100020610796 [0,1,0,0,0,1|1,0,1]=4 1495 B15R1.884 O=C([O-])C(F)NCc1ccc(c(c1)O)O 34a_100000010075_100020610796 [0,1,0,0,0,1|1,0,1]=4 1496 B15R1.1002 C=C(CNc1cccc(c1)O)C(=O)OC 34a_100000210217_100009813391 [0,1,0,0,0,1|1,0,1]=4 1497 B15R1.1002 C=C(CSc1cccc(c1)O)C(=O)OC 62a_100009813391_100000211634 [0,1,0,0,0,1|1,0,1]=4 1498 B15R1.1002 CC(OCc1cccc(c1)O)C(=O)NN 34a_100000725659_100011660834 [0,1,0,0,0,1|2,0,0]=4 1499 B15R1.1002 CCC(=O)C(C)NCc1cccc(c1)O 2230a_100000743036_100000742827 [0,1,0,0,0,1|2,0,0]=4 1500 B15R1.1002 CCC(=O)C(C)SCc1cccc(c1)O 62a_100000742827_100011660834 [0,1,0,0,0,1|2,0,0]=4 1501 B15R1.1002 CCC(=O)C(C)SCc1cccc(c1)O 62a_100011660834_100000742827 [0,1,0,0,0,1|2,0,0]=4 1502 B15R1.1002 CNC(=O)C(C)NCc1cccc(c1)O 2230a_100000743036_100000731044 [0,1,0,0,0,1|2,0,0]=4 1503 B15R1.1002 CNC(=O)C(C)NCc1cccc(c1)O 34a_100000743036_100000731044 [0,1,0,0,0,1|2,0,0]=4 1504 B15R1.1002 CNC(=O)C(C)SCc1cccc(c1)O 62a_100000209862_100011660834 [0,1,0,0,0,1|2,0,0]=4 1505 B15R1.1002 CNC(=O)C(C)SCc1cccc(c1)O 62a_100011660834_100000731044 [0,1,0,0,0,1|2,0,0]=4 1506 B15R1.1002 CNC(=O)C(F)NCc1cccc(c1)O 2230a_100000743036_100009813575 [0,1,0,0,0,1|2,0,0]=4 1507 B15R1.1002 CNC(=O)C(F)NCc1cccc(c1)O 34a_100000743036_100009813575 [0,1,0,0,0,1|2,0,0]=4 1508 B15R1.1002 CNC(=O)C(F)SCc1cccc(c1)O 62a_100009813575_100011660834 [0,1,0,0,0,1|2,0,0]=4 1509 B15R1.1002 CNC(=O)C(F)SCc1cccc(c1)O 62a_100011660834_100009813575 [0,1,0,0,0,1|2,0,0]=4 1510 B15R1.1002 CNC(=O)[C@@H](C)NCc1cccc(c1)O 2230a_100000684985_100011660834 [0,1,0,0,0,1|2,0,0]=4 1511 B15R1.1002 CNC(=O)[C@@H](C)NCc1cccc(c1)O 34a_100000684985_100011660834 [0,1,0,0,0,1|2,0,0]=4 1512 B15R1.1002 COC(=O)C(=O)CNc1cccc(c1)O 34a_100000210217_100011610305 [0,1,0,0,0,1|1,0,1]=4 1513 B15R1.1002 COC(=O)C(=O)CSc1cccc(c1)O 62a_100011610305_100000211634 [0,1,0,0,0,1|1,0,1]=4 1514 B15R1.1002 COC(=O)C(=O)NCc1cccc(c1)O 240690a_100000743036_100000024059 [0,1,0,0,0,1|1,0,1]=4 1515 B15R1.1002 COC(=O)C(=O)NCc1cccc(c1)O 527a_100000743036_100000024059 [0,1,0,0,0,1|1,0,1]=4 1516 B15R1.1002 COC(=O)C(C)CNc1cccc(c1)Br 34a_100000210019_100000698445 [0,1,0,0,0,1|2,0,0]=4 1517 B15R1.1002 COC(=O)C(C)CNc1cccc(c1)C 34a_100000188690_100000698445 [0,1,0,0,0,1|2,0,0]=4 1518 B15R1.1002 COC(=O)C(C)CNc1cccc(c1)Cl 34a_100000185859_100000698445 [0,1,0,0,0,1|2,0,0]=4 1519 B15R1.1002 COC(=O)C(C)CNc1cccc(c1)F 34a_100000210047_100000698445 [0,1,0,0,0,1|2,0,0]=4 1520 B15R1.1002 COC(=O)C(C)CNc1cccc(c1)I 34a_100000211102_100000698445 [0,1,0,0,0,1|2,0,0]=4 1521 B15R1.1002 COC(=O)C(C)CNc1cccc(c1)O 34a_100000210217_100000698445 [0,1,0,0,0,1|1,0,0]=3 1522 B15R1.1002 COC(=O)C(C)COc1cccc(c1)Br 34a_100000210342_100000698445 [0,1,0,0,0,1|2,0,0]=4 1523 B15R1.1002 COC(=O)C(C)COc1cccc(c1)C 34a_100000210337_100000698445 [0,1,0,0,0,1|2,0,0]=4 1524 B15R1.1002 COC(=O)C(C)COc1cccc(c1)Cl 34a_100000210295_100000698445 [0,1,0,0,0,1|2,0,0]=4 1525 B15R1.1002 COC(=O)C(C)COc1cccc(c1)F 34a_100000210426_100000698445 [0,1,0,0,0,1|2,0,0]=4 1526 B15R1.1002 COC(=O)C(C)COc1cccc(c1)I 34a_100000211634_100000698445 [0,1,0,0,0,1|2,0,0]=4 1527 B15R1.1002 COC(=O)C(C)COc1cccc(c1)N 34a_100000210217_100000698445 [0,1,0,0,0,1|2,0,0]=4 1528 B15R1.1002 COC(=O)C(C)CSc1cc(ccn1)O 62a_100000698445_100000762945 [0,1,0,0,0,1|2,0,0]=4 1529 B15R1.1002 COC(=O)C(C)CSc1cccc(c1)Br 62a_100000691529_100000698445 [0,1,0,0,0,1|2,0,0]=4 1530 B15R1.1002 COC(=O)C(C)CSc1cccc(c1)Br 62a_100000698445_100000691529 [0,1,0,0,0,1|2,0,0]=4 1531 B15R1.1002 COC(=O)C(C)CSc1cccc(c1)C 62a_100000698445_100011215228 [0,1,0,0,0,1|2,0,0]=4 1532 B15R1.1002 COC(=O)C(C)CSc1cccc(c1)C 62a_100011215228_100000698445 [0,1,0,0,0,1|2,0,0]=4 1533 B15R1.1002 COC(=O)C(C)CSc1cccc(c1)Cl 62a_100000698445_100000699651 [0,1,0,0,0,1|2,0,0]=4 1534 B15R1.1002 COC(=O)C(C)CSc1cccc(c1)Cl 62a_100000699651_100000698445 [0,1,0,0,0,1|2,0,0]=4 1535 B15R1.1002 COC(=O)C(C)CSc1cccc(c1)F 62a_100000685547_100000698445 [0,1,0,0,0,1|2,0,0]=4 1536 B15R1.1002 COC(=O)C(C)CSc1cccc(c1)F 62a_100000698445_100000685547 [0,1,0,0,0,1|2,0,0]=4 1537 B15R1.1002 COC(=O)C(C)CSc1cccc(c1)N 62a_100000210019_100000698445 [0,1,0,0,0,1|2,0,0]=4 1538 B15R1.1002 COC(=O)C(C)CSc1cccc(c1)N 62a_100000698445_100000210019 [0,1,0,0,0,1|2,0,0]=4 1539 B15R1.1002 COC(=O)C(C)CSc1cccc(c1)O 62a_100000698445_100000211634 [0,1,0,0,0,1|1,0,0]=3 1540 B15R1.1002 COC(=O)C(C)CSc1cccc(c1)[S] 62a_100000698445_114929384022 [0,1,0,0,0,1|1,1,0]=4 1541 B15R1.1002 COC(=O)C(C)CSc1cccc(c1)[S] 62a_114929384022_100000698445 [0,1,0,0,0,1|1,1,0]=4 1542 B15R1.1002 COC(=O)C(C)CSc1cncc(c1)O 62a_100000698445_100000754920 [0,1,0,0,0,1|2,0,0]=4 1543 B15R1.1002 COC(=O)C(C)CSc1cncc(c1)O 62a_100000754920_100000698445 [0,1,0,0,0,1|2,0,0]=4 1544 B15R1.1002 COC(=O)C(C)NCc1cccc(c1)Br 2230a_100000174977_100000211248 [0,1,0,0,0,1|2,0,0]=4 1545 B15R1.1002 COC(=O)C(C)NCc1cccc(c1)Br 34a_100000174977_100000211248 [0,1,0,0,0,1|2,0,0]=4 1546 B15R1.1002 COC(=O)C(C)NCc1cccc(c1)C 2230a_100000185548_100000211248 [0,1,0,0,0,1|2,0,0]=4 1547 B15R1.1002 COC(=O)C(C)NCc1cccc(c1)C 34a_100000185548_100000211248 [0,1,0,0,0,1|2,0,0]=4 1548 B15R1.1002 COC(=O)C(C)NCc1cccc(c1)Cl 2230a_100000174878_100000211248 [0,1,0,0,0,1|2,0,0]=4 1549 B15R1.1002 COC(=O)C(C)NCc1cccc(c1)Cl 34a_100000174878_100000211248 [0,1,0,0,0,1|2,0,0]=4 1550 B15R1.1002 COC(=O)C(C)NCc1cccc(c1)F 2230a_100000174948_100000211248 [0,1,0,0,0,1|2,0,0]=4 1551 B15R1.1002 COC(=O)C(C)NCc1cccc(c1)F 34a_100000174948_100000211248 [0,1,0,0,0,1|2,0,0]=4 1552 B15R1.1002 COC(=O)C(C)NCc1cccc(c1)I 2230a_100000106179_100000211248 [0,1,0,0,0,1|2,0,0]=4 1553 B15R1.1002 COC(=O)C(C)NCc1cccc(c1)I 34a_100000106179_100000211248 [0,1,0,0,0,1|2,0,0]=4 1554 B15R1.1002 COC(=O)C(C)NCc1cccc(c1)O 2230a_100000743036_100000211248 [0,1,0,0,0,1|1,0,0]=3 1555 B15R1.1002 COC(=O)C(C)NCc1cccc(c1)O 34a_100000743036_100000211248 [0,1,0,0,0,1|1,0,0]=3 1556 B15R1.1002 COC(=O)C(C)OCc1cccc(c1)Br 34a_100000687537_100000211248 [0,1,0,0,0,1|2,0,0]=4 1557 B15R1.1002 COC(=O)C(C)OCc1cccc(c1)Br 34a_100011215400_100000698116 [0,1,0,0,0,1|2,0,0]=4 1558 B15R1.1002 COC(=O)C(C)OCc1cccc(c1)Br 7a_100000687537_100000211248 [0,1,0,0,0,1|2,0,0]=4 1559 B15R1.1002 COC(=O)C(C)OCc1cccc(c1)C 34a_100011215400_100000211840 [0,1,0,0,0,1|2,0,0]=4 1560 B15R1.1002 COC(=O)C(C)OCc1cccc(c1)C 34a_100011217746_100000211248 [0,1,0,0,0,1|2,0,0]=4 1561 B15R1.1002 COC(=O)C(C)OCc1cccc(c1)C 7a_100011217746_100000211248 [0,1,0,0,0,1|2,0,0]=4 1562 B15R1.1002 COC(=O)C(C)OCc1cccc(c1)Cl 34a_100000241301_100000211248 [0,1,0,0,0,1|2,0,0]=4 1563 B15R1.1002 COC(=O)C(C)OCc1cccc(c1)Cl 34a_100011215400_100000187163 [0,1,0,0,0,1|2,0,0]=4 1564 B15R1.1002 COC(=O)C(C)OCc1cccc(c1)Cl 7a_100000241301_100000211248 [0,1,0,0,0,1|2,0,0]=4 1565 B15R1.1002 COC(=O)C(C)OCc1cccc(c1)F 34a_100000210976_100000211248 [0,1,0,0,0,1|2,0,0]=4 1566 B15R1.1002 COC(=O)C(C)OCc1cccc(c1)F 34a_100011215400_100000187166 [0,1,0,0,0,1|2,0,0]=4 1567 B15R1.1002 COC(=O)C(C)OCc1cccc(c1)F 7a_100000210976_100000211248 [0,1,0,0,0,1|2,0,0]=4 1568 B15R1.1002 COC(=O)C(C)OCc1cccc(c1)I 34a_100011215336_100000211248 [0,1,0,0,0,1|2,0,0]=4 1569 B15R1.1002 COC(=O)C(C)OCc1cccc(c1)I 34a_100011215400_100011218688 [0,1,0,0,0,1|2,0,0]=4 1570 B15R1.1002 COC(=O)C(C)OCc1cccc(c1)I 7a_100011215336_100000211248 [0,1,0,0,0,1|2,0,0]=4 1571 B15R1.1002 COC(=O)C(C)OCc1cccc(c1)N 34a_100000211919_100000211248 [0,1,0,0,0,1|2,0,0]=4 1572 B15R1.1002 COC(=O)C(C)OCc1cccc(c1)O 34a_100011215400_100011660834 [0,1,0,0,0,1|1,0,0]=3 1573 B15R1.1002 COC(=O)C(C)SCc1cccc(c1)Br 62a_100000211248_100000211773 [0,1,0,0,0,1|2,0,0]=4 1574 B15R1.1002 COC(=O)C(C)SCc1cccc(c1)Br 62a_100000211773_100000211248 [0,1,0,0,0,1|2,0,0]=4 1575 B15R1.1002 COC(=O)C(C)SCc1cccc(c1)C 62a_100000211248_100000211840 [0,1,0,0,0,1|2,0,0]=4 1576 B15R1.1002 COC(=O)C(C)SCc1cccc(c1)C 62a_100000211840_100000211248 [0,1,0,0,0,1|2,0,0]=4 1577 B15R1.1002 COC(=O)C(C)SCc1cccc(c1)Cl 62a_100000187163_100000211248 [0,1,0,0,0,1|2,0,0]=4 1578 B15R1.1002 COC(=O)C(C)SCc1cccc(c1)Cl 62a_100000211248_100000187163 [0,1,0,0,0,1|2,0,0]=4 1579 B15R1.1002 COC(=O)C(C)SCc1cccc(c1)F 62a_100000211248_100000230114 [0,1,0,0,0,1|2,0,0]=4 1580 B15R1.1002 COC(=O)C(C)SCc1cccc(c1)F 62a_100000230114_100000211248 [0,1,0,0,0,1|2,0,0]=4 1581 B15R1.1002 COC(=O)C(C)SCc1cccc(c1)I 62a_100000211248_100011218688 [0,1,0,0,0,1|2,0,0]=4 1582 B15R1.1002 COC(=O)C(C)SCc1cccc(c1)I 62a_100011218688_100000211248 [0,1,0,0,0,1|2,0,0]=4 1583 B15R1.1002 COC(=O)C(C)SCc1cccc(c1)O 62a_100000211248_100011660834 [0,1,0,0,0,1|1,0,0]=3 1584 B15R1.1002 COC(=O)C(C)SCc1cccc(c1)O 62a_100011660834_100000211248 [0,1,0,0,0,1|1,0,0]=3 1585 B15R1.1570 CC(=O)C(C)NCc1cccc(c1)CO 2230a_100011269909_100009814033 [0,1,0,0,0,1|2,0,0]=4 1586 B15R1.1570 CC(=O)C(C)OCc1cccc(c1)CO 34a_100000212229_100010188025 [0,1,0,0,0,1|2,0,0]=4 1587 B15R1.1570 CC(=O)C(C)SCc1cccc(c1)CO 62a_100009814033_100010188025 [0,1,0,0,0,1|2,0,0]=4 1588 B15R1.1570 CC(=O)C(C)SCc1cccc(c1)CO 62a_100010188025_100009814033 [0,1,0,0,0,1|2,0,0]=4 1589 B15R1.1570 CC(NCc1cccc(c1)CO)C(=O)N 2230a_100011269909_100000702099 [0,1,0,0,0,1|2,0,0]=4 1590 B15R1.1570 CC(NCc1cccc(c1)CO)C(=O)N 34a_100011269909_100000702099 [0,1,0,0,0,1|2,0,0]=4 1591 B15R1.1570 CC(SCc1cccc(c1)CO)C(=O)N 62a_100000702099_100010188025 [0,1,0,0,0,1|2,0,0]=4 1592 B15R1.1570 CC(SCc1cccc(c1)CO)C(=O)N 62a_100010188025_100000702099 [0,1,0,0,0,1|2,0,0]=4 1593 B15R1.1570 COc1cc(ccn1)CN[C@@H](C)C(=O)O 269956a_100000743915_100103152439 [0,1,0,0,0,1|2,0,0]=4 1594 B15R1.1570 COc1cccc(c1)CNC(C)C(=O)C 2230a_100000174954_100009814033 [0,1,0,0,0,1|2,0,0]=4 1595 B15R1.1570 COc1cccc(c1)CNC(C)C(=O)N 2230a_100000174954_100000702099 [0,1,0,0,0,1|2,0,0]=4 1596 B15R1.1570 COc1cccc(c1)CNC(C)C(=O)N 34a_100000174954_100000702099 [0,1,0,0,0,1|2,0,0]=4 1597 B15R1.1570 COc1cccc(c1)CNC(F)C(=O)N 2230a_100000174954_100009813875 [0,1,0,0,0,1|2,0,0]=4 1598 B15R1.1570 COc1cccc(c1)CNC(F)C(=O)N 34a_100000174954_100009813875 [0,1,0,0,0,1|2,0,0]=4 1599 B15R1.1570 COc1cccc(c1)CNC(F)C(=O)[O-] 34a_100000174954_100020610796 [0,1,0,0,0,1|1,0,1]=4 1600 B15R1.1570 COc1cccc(c1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000211672 [0,1,0,0,0,1|1,0,0]=3 1601 B15R1.1570 COc1cccc(c1)CN[C@H](C)C(=O)N 2230a_100000119354_100000211672 [0,1,0,0,0,1|2,0,0]=4 1602 B15R1.1570 COc1cccc(c1)CN[C@H](C)C(=O)N 270004a_100000119354_100000170238 [0,1,0,0,0,1|2,0,0]=4 1603 B15R1.1570 COc1cccc(c1)CN[C@H](C)C(=O)N 34a_100000119354_100000688526 [0,1,0,0,0,1|2,0,0]=4 1604 B15R1.1570 COc1cccc(c1)COC(C)C(=O)C 34a_100000212229_100000688526 [0,1,0,0,0,1|2,0,0]=4 1605 B15R1.1570 COc1cccc(c1)COC(C)C(=O)N 34a_100000198976_100000702099 [0,1,0,0,0,1|2,0,0]=4 1606 B15R1.1570 COc1cccc(c1)COC(F)C(=O)N 34a_100000198976_100009813875 [0,1,0,0,0,1|2,0,0]=4 1607 B15R1.1570 COc1cccc(c1)COC(F)C(=O)[O-] 34a_100000198976_100020610796 [0,1,0,0,0,1|1,0,1]=4 1608 B15R1.1570 COc1cccc(c1)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000211672 [0,1,0,0,0,1|1,0,1]=4 1609 B15R1.1570 COc1cccc(c1)CO[C@H](C)C(=O)N 34a_100000731257_100000688526 [0,1,0,0,0,1|2,0,0]=4 1610 B15R1.1570 COc1cccc(c1)CO[C@H](C)C(=O)N 7a_100000731257_100000211672 [0,1,0,0,0,1|2,0,0]=4 1611 B15R1.1570 COc1cccc(c1)CSC(C)C(=O)C 62a_100000688526_100009814033 [0,1,0,0,0,1|2,0,0]=4 1612 B15R1.1570 COc1cccc(c1)CSC(C)C(=O)C 62a_100009814033_100000211672 [0,1,0,0,0,1|2,0,0]=4 1613 B15R1.1570 COc1cccc(c1)CSC(C)C(=O)N 62a_100000688526_100000702099 [0,1,0,0,0,1|2,0,0]=4 1614 B15R1.1570 COc1cccc(c1)CSC(C)C(=O)N 62a_100000702099_100000211672 [0,1,0,0,0,1|2,0,0]=4 1615 B15R1.1570 COc1cccc(c1)CSC(F)C(=O)N 62a_100000688526_100009813875 [0,1,0,0,0,1|2,0,0]=4 1616 B15R1.1570 COc1cccc(c1)CSC(F)C(=O)N 62a_100009813875_100000211672 [0,1,0,0,0,1|2,0,0]=4 1617 B15R1.1570 COc1cccc(c1)CSC(F)C(=O)[O-] 62a_100000688526_100020610796 [0,1,0,0,0,1|1,0,1]=4 1618 B15R1.1570 COc1cccc(c1)CSC(F)C(=O)[O-] 62a_100020610796_100000211672 [0,1,0,0,0,1|1,0,1]=4 1619 B15R1.1570 COc1cccc(n1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000755263 [0,1,0,0,0,1|2,0,0]=4 1620 B15R1.1570 COc1ccnc(c1)CN[C@@H](C)C(=O)O 269956a_100000743915_100000752681 [0,1,0,0,0,1|2,0,0]=4 1621 B15R1.1570 C[C@@H](NCc1cccc(c1)CO)C(=O)N 2230a_100000119354_100010188025 [0,1,0,0,0,1|2,0,0]=4 1622 B15R1.1570 C[C@@H](NCc1cccc(c1)CO)C(=O)N 270004a_100000119354_200000050894 [0,1,0,0,0,1|2,0,0]=4 1623 B15R1.1570 C[C@@H](NCc1cccc(c1)CO)C(=O)N 34a_100000119354_100010188025 [0,1,0,0,0,1|2,0,0]=4 1624 B15R1.1570 C[C@@H](OCc1cccc(c1)CO)C(=O)N 34a_100000731257_100010188025 [0,1,0,0,0,1|2,0,0]=4 1625 B15R1.1570 C[C@@H](OCc1cccc(c1)CO)C(=O)N 7a_100000731257_100010188025 [0,1,0,0,0,1|2,0,0]=4 1626 B15R1.1570 C[C@H](NCc1cccc(c1)C#N)C(=O)O 269956a_100000743915_100000233786 [0,1,0,0,0,1|2,0,0]=4 1627 B15R1.1570 C[C@H](NCc1cccc(c1)C=O)C(=O)O 269956a_100000743915_100009816774 [0,1,0,0,0,1|1,0,1]=4 1628 B15R1.1570 C[C@H](NCc1cccc(c1)CO)C(=O)O 269956a_100000743915_100010188025 [0,1,0,0,0,1|1,0,0]=3 1629 B15R1.1570 C[C@H](NCc1cccc(n1)CO)C(=O)O 269956a_100000743915_100009813551 [0,1,0,0,0,1|2,0,0]=4 1630 B15R1.1570 C[C@H](OCc1cccc(c1)CO)C(=O)[O-] 7a_217856618621_100010188025 [0,1,0,0,0,1|1,0,1]=4 1631 B15R1.1570 NC(=O)C(F)NCc1cccc(c1)CO 2230a_100011269909_100009813875 [0,1,0,0,0,1|2,0,0]=4 1632 B15R1.1570 NC(=O)C(F)NCc1cccc(c1)CO 34a_100011269909_100009813875 [0,1,0,0,0,1|2,0,0]=4 1633 B15R1.1570 NC(=O)C(F)SCc1cccc(c1)CO 62a_100009813875_100010188025 [0,1,0,0,0,1|2,0,0]=4 1634 B15R1.1570 NC(=O)C(F)SCc1cccc(c1)CO 62a_100010188025_100009813875 [0,1,0,0,0,1|2,0,0]=4 1635 B15R1.1570 O=C([O-])C(F)NCc1cccc(c1)CO 34a_100011269909_100020610796 [0,1,0,0,0,1|1,0,1]=4 1636 B15R1.1570 O=C([O-])C(F)SCc1cccc(c1)CO 62a_100010188025_100020610796 [0,1,0,0,0,1|1,0,1]=4 1637 B15R1.1570 O=C([O-])C(F)SCc1cccc(c1)CO 62a_100020610796_100010188025 [0,1,0,0,0,1|1,0,1]=4 1638 B15R1.3046 C=C[C@H](NCc1cccc(c1)Br)C(=O)O 269956a_100016992060_100000211773 [0,1,0,0,0,1|2,0,0]=4 1639 B15R1.3046 C=C[C@H](NCc1cccc(c1)C)C(=O)O 269956a_100016992060_100000005736 [0,1,0,0,0,1|2,0,0]=4 1640 B15R1.3046 C=C[C@H](NCc1cccc(c1)Cl)C(=O)O 269956a_100016992060_100000187163 [0,1,0,0,0,1|2,0,0]=4 1641 B15R1.3046 C=C[C@H](NCc1cccc(c1)F)C(=O)O 269956a_100016992060_100000230114 [0,1,0,0,0,1|2,0,0]=4 1642 B15R1.3046 C=C[C@H](NCc1cccc(c1)I)C(=O)O 269956a_100016992060_100011218688 [0,1,0,0,0,1|2,0,0]=4 1643 B15R1.3046 C=C[C@H](NCc1cccc(c1)O)C(=O)O 269956a_100016992060_100011660834 [0,1,0,0,0,1|1,0,0]=3 1644 B15R1.3046 CCC(NCc1cccc(c1)O)C(=O)N 2230a_100000733705_100011660834 [0,1,0,0,0,1|2,0,0]=4 1645 B15R1.3046 CCC(NCc1cccc(c1)O)C(=O)N 2230a_100000743036_100000750255 [0,1,0,0,0,1|2,0,0]=4 1646 B15R1.3046 CCC(NCc1cccc(c1)O)C(=O)N 34a_100000733705_100011660834 [0,1,0,0,0,1|2,0,0]=4 1647 B15R1.3046 CCC(NCc1cccc(c1)O)C(=O)N 34a_100000743036_100000750255 [0,1,0,0,0,1|2,0,0]=4 1648 B15R1.3046 CCC(SCc1cccc(c1)O)C(=O)N 62a_100000750255_100011660834 [0,1,0,0,0,1|2,0,0]=4 1649 B15R1.3046 CCC(SCc1cccc(c1)O)C(=O)N 62a_100011660834_100000750255 [0,1,0,0,0,1|2,0,0]=4 1650 B15R1.3046 CC[C@@H](NCc1cccc(c1)Br)C(=O)O 269956a_100000747097_100000211773 [0,1,0,0,0,1|2,0,0]=4 1651 B15R1.3046 CC[C@@H](NCc1cccc(c1)C)C(=O)O 269956a_100000747097_100000005736 [0,1,0,0,0,1|2,0,0]=4 1652 B15R1.3046 CC[C@@H](NCc1cccc(c1)Cl)C(=O)O 269956a_100000747097_100000187163 [0,1,0,0,0,1|2,0,0]=4 1653 B15R1.3046 CC[C@@H](NCc1cccc(c1)F)C(=O)O 269956a_100000747097_100000230114 [0,1,0,0,0,1|2,0,0]=4 1654 B15R1.3046 CC[C@@H](NCc1cccc(c1)I)C(=O)O 269956a_100000747097_100011218688 [0,1,0,0,0,1|2,0,0]=4 1655 B15R1.3046 CC[C@@H](NCc1cccc(c1)O)C(=O)O 269956a_100000747097_100011660834 [0,1,0,0,0,1|1,0,0]=3 1656 B15R1.3046 Cc1cccc(c1)CNC(CO)C(=O)O 269956a_100000187304_100000005736 [0,1,0,0,0,1|2,0,0]=4 1657 B15R1.3046 N#CC(NCc1cccc(c1)O)C(=O)N 2230a_100000039599_100011660834 [0,1,0,0,0,1|1,0,1]=4 1658 B15R1.3046 N#CC(NCc1cccc(c1)O)C(=O)N 270004a_100000039599_100000188321 [0,1,0,0,0,1|1,0,1]=4 1659 B15R1.3046 NC(=O)[C@H](CO)NCc1cccc(c1)O 2230a_100000729942_100011660834 [0,1,0,0,0,1|2,0,0]=4 1660 B15R1.3046 NC(=O)[C@H](CO)NCc1cccc(c1)O 270004a_100000729942_100000188321 [0,1,0,0,0,1|2,0,0]=4 1661 B15R1.3046 NC(=O)[C@H](CO)NCc1cccc(c1)O 34a_100000729942_100011660834 [0,1,0,0,0,1|2,0,0]=4 1662 B15R1.3046 O=C(O)C(CO)NCc1cccc(c1)Br 269956a_100000187304_100000211773 [0,1,0,0,0,1|2,0,0]=4 1663 B15R1.3046 O=C(O)C(CO)NCc1cccc(c1)Cl 269956a_100000187304_100000187163 [0,1,0,0,0,1|2,0,0]=4 1664 B15R1.3046 O=C(O)C(CO)NCc1cccc(c1)F 269956a_100000187304_100000230114 [0,1,0,0,0,1|2,0,0]=4 1665 B15R1.3046 O=C(O)C(CO)NCc1cccc(c1)I 269956a_100000187304_100011218688 [0,1,0,0,0,1|2,0,0]=4 1666 B15R1.3046 O=C(O)C(CO)NCc1cccc(c1)O 269956a_100000187304_100011660834 [0,1,0,0,0,1|1,0,0]=3 1667 B15R1.5455 CC(=O)C(C)NCc1cc(cc(c1)Cl)O 2230a_107254831445_100009814033 [0,1,0,0,0,1|2,0,0]=4 1668 B15R1.5455 CC(=O)C(C)NCc1cc(cc(c1)F)O 2230a_100160469513_100009814033 [0,1,0,0,0,1|2,0,0]=4 1669 B15R1.5455 CC(=O)C(C)NCc1cc(cc(c1)O)O 2230a_100159270720_100009814033 [0,1,0,0,0,1|2,0,0]=4 1670 B15R1.5455 CC(NCc1cc(cc(c1)Cl)O)C(=O)N 2230a_107254831445_100000702099 [0,1,0,0,0,1|2,0,0]=4 1671 B15R1.5455 CC(NCc1cc(cc(c1)Cl)O)C(=O)N 34a_107254831445_100000702099 [0,1,0,0,0,1|2,0,0]=4 1672 B15R1.5455 CC(NCc1cc(cc(c1)F)O)C(=O)N 2230a_100160469513_100000702099 [0,1,0,0,0,1|2,0,0]=4 1673 B15R1.5455 CC(NCc1cc(cc(c1)F)O)C(=O)N 34a_100160469513_100000702099 [0,1,0,0,0,1|2,0,0]=4 1674 B15R1.5455 CC(NCc1cc(cc(c1)O)O)C(=O)N 2230a_100159270720_100000702099 [0,1,0,0,0,1|2,0,0]=4 1675 B15R1.5455 CC(NCc1cc(cc(c1)O)O)C(=O)N 34a_100159270720_100000702099 [0,1,0,0,0,1|2,0,0]=4 1676 B15R1.5455 C[C@@H](NCc1cc(cc(c1)Br)O)C(=O)N 270004a_100000119354_100010176088 [0,1,0,0,0,1|2,0,0]=4 1677 B15R1.5455 C[C@@H](NCc1cc(cc(c1)Cl)O)C(=O)N 270004a_100000119354_100000050827 [0,1,0,0,0,1|2,0,0]=4 1678 B15R1.5455 C[C@@H](NCc1cc(cc(c1)F)O)C(=O)N 270004a_100000119354_100000703664 [0,1,0,0,0,1|2,0,0]=4 1679 B15R1.5455 C[C@H](NCc1cc(cc(c1)Br)Br)C(=O)O 269956a_100000743915_100011216082 [0,1,0,0,0,1|2,0,0]=4 1680 B15R1.5455 C[C@H](NCc1cc(cc(c1)Br)F)C(=O)O 269956a_100000743915_100000766940 [0,1,0,0,0,1|2,0,0]=4 1681 B15R1.5455 C[C@H](NCc1cc(cc(c1)Cl)Cl)C(=O)O 269956a_100000743915_100011219208 [0,1,0,0,0,1|2,0,0]=4 1682 B15R1.5455 C[C@H](NCc1cc(cc(c1)Cl)F)C(=O)O 269956a_100000743915_100011219885 [0,1,0,0,0,1|2,0,0]=4 1683 B15R1.5455 C[C@H](NCc1cc(cc(c1)F)F)C(=O)O 269956a_100000743915_100000697002 [0,1,0,0,0,1|2,0,0]=4 1684 B15R1.5455 C[C@H](NCc1cc(cc(c1)I)Br)C(=O)O 269956a_100000743915_100010146614 [0,1,0,0,0,1|2,0,0]=4 1685 B15R1.5455 C[C@H](NCc1cc(cc(c1)I)F)C(=O)O 269956a_100000743915_100010149605 [0,1,0,0,0,1|2,0,0]=4 1686 B15R1.5455 Cc1cc(cc(c1)CN[C@@H](C)C(=O)O)Br 269956a_100000743915_100012348363 [0,1,0,0,0,1|2,0,0]=4 1687 B15R1.5455 Cc1cc(cc(c1)CN[C@@H](C)C(=O)O)C 269956a_100000743915_100000181317 [0,1,0,0,0,1|2,0,0]=4 1688 B15R1.5455 Cc1cc(cc(c1)CN[C@@H](C)C(=O)O)F 269956a_100000743915_100011219130 [0,1,0,0,0,1|2,0,0]=4 1689 B15R1.5455 Cc1cc(cc(c1)CN[C@H](C)C(=O)N)O 270004a_100000119354_100009853434 [0,1,0,0,0,1|2,0,0]=4 1690 B15R1.5455 NC(=O)C(F)NCc1cc(cc(c1)Cl)O 2230a_107254831445_100009813875 [0,1,0,0,0,1|2,0,0]=4 1691 B15R1.5455 NC(=O)C(F)NCc1cc(cc(c1)Cl)O 34a_107254831445_100009813875 [0,1,0,0,0,1|2,0,0]=4 1692 B15R1.5455 NC(=O)C(F)NCc1cc(cc(c1)F)O 2230a_100160469513_100009813875 [0,1,0,0,0,1|2,0,0]=4 1693 B15R1.5455 NC(=O)C(F)NCc1cc(cc(c1)F)O 34a_100160469513_100009813875 [0,1,0,0,0,1|2,0,0]=4 1694 B15R1.5455 NC(=O)C(F)NCc1cc(cc(c1)O)O 2230a_100159270720_100009813875 [0,1,0,0,0,1|2,0,0]=4 1695 B15R1.5455 NC(=O)C(F)NCc1cc(cc(c1)O)O 34a_100159270720_100009813875 [0,1,0,0,0,1|2,0,0]=4 1696 B15R1.5455 O=C([O-])C(F)NCc1cc(cc(c1)Cl)O 34a_107254831445_100020610796 [0,1,0,0,0,1|1,0,1]=4 1697 B15R1.5455 O=C([O-])C(F)NCc1cc(cc(c1)F)O 34a_100160469513_100020610796 [0,1,0,0,0,1|1,0,1]=4 1698 B15R1.5455 O=C([O-])C(F)NCc1cc(cc(c1)O)O 34a_100159270720_100020610796 [0,1,0,0,0,1|1,0,1]=4 1699 B15R1.8272 CC(=O)C(C)NC(C)c1cccc(c1)O 2230a_100000740644_100009814033 [0,1,0,0,0,1|2,0,0]=4 1700 B15R1.8272 CC(NC(C)c1cccc(c1)O)C(=O)N 2230a_100000740644_100000702099 [0,1,0,0,0,1|2,0,0]=4 1701 B15R1.8272 CC(NC(F)C(=O)N)c1cccc(c1)O 2230a_100000740644_100009813875 [0,1,0,0,0,1|2,0,0]=4 1702 B15R1.8275 CC(NCc1cccc(c1F)O)C(=O)N 34a_100025773512_100000702099 [0,1,0,0,0,1|2,0,0]=4 1703 B15R1.8275 C[C@@H](NCc1cccc(c1Cl)O)C(=O)N 270004a_100000119354_100000050521 [0,1,0,0,0,1|2,0,0]=4 1704 B15R1.8275 C[C@H](NCc1cccc(c1Br)Cl)C(=O)O 269956a_100000743915_100010145525 [0,1,0,0,0,1|2,0,0]=4 1705 B15R1.8275 C[C@H](NCc1cccc(c1Br)F)C(=O)O 269956a_100000743915_100012351116 [0,1,0,0,0,1|2,0,0]=4 1706 B15R1.8275 C[C@H](NCc1cccc(c1Br)I)C(=O)O 269956a_100000743915_100010254545 [0,1,0,0,0,1|2,0,0]=4 1707 B15R1.8275 C[C@H](NCc1cccc(c1Cl)Br)C(=O)O 269956a_100000743915_100012349491 [0,1,0,0,0,1|2,0,0]=4 1708 B15R1.8275 C[C@H](NCc1cccc(c1Cl)Cl)C(=O)O 269956a_100000743915_100000720918 [0,1,0,0,0,1|2,0,0]=4 1709 B15R1.8275 C[C@H](NCc1cccc(c1Cl)F)C(=O)O 269956a_100000743915_100000696688 [0,1,0,0,0,1|2,0,0]=4 1710 B15R1.8275 C[C@H](NCc1cccc(c1F)Br)C(=O)O 269956a_100000743915_100012356506 [0,1,0,0,0,1|2,0,0]=4 1711 B15R1.8275 C[C@H](NCc1cccc(c1F)Cl)C(=O)O 269956a_100000743915_100000716733 [0,1,0,0,0,1|2,0,0]=4 1712 B15R1.8275 C[C@H](NCc1cccc(c1F)F)C(=O)O 269956a_100000743915_100000217499 [0,1,0,0,0,1|2,0,0]=4 1713 B15R1.8275 C[C@H](NCc1cccc(c1I)F)C(=O)O 269956a_100000743915_100010149603 [0,1,0,0,0,1|2,0,0]=4 1714 B15R1.8275 Cc1c(cccc1CN[C@@H](C)C(=O)O)Br 269956a_100000743915_100000694682 [0,1,0,0,0,1|2,0,0]=4 1715 B15R1.8275 Cc1c(cccc1CN[C@@H](C)C(=O)O)Cl 269956a_100000743915_100012186920 [0,1,0,0,0,1|2,0,0]=4 1716 B15R1.8275 Cc1c(cccc1CN[C@@H](C)C(=O)O)F 269956a_100000743915_100009813626 [0,1,0,0,0,1|2,0,0]=4 1717 B15R1.8275 Cc1c(cccc1CN[C@@H](C)C(=O)O)I 269956a_100000743915_100010150147 [0,1,0,0,0,1|2,0,0]=4 1718 B15R1.8275 Cc1c(cccc1CN[C@H](C)C(=O)N)O 270004a_100000119354_100009868165 [0,1,0,0,0,1|2,0,0]=4 1719 B15R1.8275 Cc1cccc(c1Br)CN[C@@H](C)C(=O)O 269956a_100000743915_200012349612 [0,1,0,0,0,1|2,0,0]=4 1720 B15R1.8275 Cc1cccc(c1C)CN[C@@H](C)C(=O)O 269956a_100000743915_100011515928 [0,1,0,0,0,1|2,0,0]=4 1721 B15R1.8275 Cc1cccc(c1F)CN[C@@H](C)C(=O)O 269956a_100000743915_100011216058 [0,1,0,0,0,1|2,0,0]=4 1722 B15R1.8275 NC(=O)C(F)NCc1cccc(c1F)O 34a_100025773512_100009813875 [0,1,0,0,0,1|2,0,0]=4 1723 B15R1.8275 O=C([O-])C(F)NCc1cccc(c1F)O 34a_100025773512_100020610796 [0,1,0,0,0,1|1,0,1]=4 1724 B15R1.8301 CC(=O)C(C)C(=O)Cc1cccc(c1)O 1458a_100000745134_100000179758 [0,1,0,0,0,1|2,0,0]=4 1725 B15R1.8301 CC(=O)C(C)N(C)Cc1cccc(c1)O 2230a_100000207540_100009814033 [0,1,0,0,0,1|2,0,0]=4 1726 B15R1.8301 CC(=O)C(C)N(C)Cc1cccc(c1)O 269982a_100000207540_100009814033 [0,1,0,0,0,1|2,0,0]=4 1727 B15R1.8301 CC(C(=O)N)C(=O)Cc1cccc(c1)O 1458a_100000745134_100000702099 [0,1,0,0,0,1|2,0,0]=4 1728 B15R1.8301 CC(C(=O)N)N(C)Cc1cccc(c1)O 2230a_100000207540_100000702099 [0,1,0,0,0,1|2,0,0]=4 1729 B15R1.8301 CC(C(=O)N)N(C)Cc1cccc(c1)O 269982a_100000207540_100000184083 [0,1,0,0,0,1|2,0,0]=4 1730 B15R1.8301 CC(C(=O)O)N(C)Cc1cccc(c1)Br 269956a_100000749554_100000211773 [0,1,0,0,0,1|2,0,0]=4 1731 B15R1.8301 CC(C(=O)O)N(C)Cc1cccc(c1)Cl 269956a_100000749554_100000187163 [0,1,0,0,0,1|2,0,0]=4 1732 B15R1.8301 CC(C(=O)O)N(C)Cc1cccc(c1)F 269956a_100000749554_100000230114 [0,1,0,0,0,1|2,0,0]=4 1733 B15R1.8301 CC(C(=O)O)N(C)Cc1cccc(c1)I 269956a_100000749554_100011218688 [0,1,0,0,0,1|2,0,0]=4 1734 B15R1.8301 CC(C(=O)O)N(C)Cc1cccc(c1)O 269956a_100000749554_100011660834 [0,1,0,0,0,1|1,0,0]=3 1735 B15R1.8301 CN(Cc1cccc(c1)O)C(F)C(=O)N 2230a_100000207540_100009813875 [0,1,0,0,0,1|2,0,0]=4 1736 B15R1.8301 CN(Cc1cccc(c1)O)C(F)C(=O)N 269982a_100000207540_100009813875 [0,1,0,0,0,1|2,0,0]=4 1737 B15R1.8301 Cc1cccc(c1)CN(C)C(C)C(=O)O 269956a_100000749554_100000005736 [0,1,0,0,0,1|2,0,0]=4 1738 B15R1.8301 NC(=O)C(F)C(=O)Cc1cccc(c1)O 1458a_100000745134_100009813875 [0,1,0,0,0,1|2,0,0]=4 1739 B15R1.8301 O=C([O-])C(F)C(=O)Cc1cccc(c1)O 1458a_100000745134_100020610796 [0,1,0,0,0,1|1,0,1]=4 1740 B15R1.8422 C[C@H](NCc1cc(ccc1Br)Br)C(=O)O 269956a_100000743915_100011982794 [0,1,0,0,0,1|2,0,0]=4 1741 B15R1.8422 C[C@H](NCc1cc(ccc1Br)Cl)C(=O)O 269956a_100000743915_100000733903 [0,1,0,0,0,1|2,0,0]=4 1742 B15R1.8422 C[C@H](NCc1cc(ccc1Br)F)C(=O)O 269956a_100000743915_100000736370 [0,1,0,0,0,1|2,0,0]=4 1743 B15R1.8422 C[C@H](NCc1cc(ccc1Br)I)C(=O)O 269956a_100000743915_100012355412 [0,1,0,0,0,1|2,0,0]=4 1744 B15R1.8422 C[C@H](NCc1cc(ccc1Cl)Br)C(=O)O 269956a_100000743915_100000763347 [0,1,0,0,0,1|2,0,0]=4 1745 B15R1.8422 C[C@H](NCc1cc(ccc1Cl)Cl)C(=O)O 269956a_100000743915_100000754809 [0,1,0,0,0,1|2,0,0]=4 1746 B15R1.8422 C[C@H](NCc1cc(ccc1Cl)F)C(=O)O 269956a_100000743915_100000709952 [0,1,0,0,0,1|2,0,0]=4 1747 B15R1.8422 C[C@H](NCc1cc(ccc1Cl)I)C(=O)O 269956a_100000743915_100010188191 [0,1,0,0,0,1|2,0,0]=4 1748 B15R1.8422 C[C@H](NCc1cc(ccc1F)Br)C(=O)O 269956a_100000743915_100000736399 [0,1,0,0,0,1|2,0,0]=4 1749 B15R1.8422 C[C@H](NCc1cc(ccc1F)Cl)C(=O)O 269956a_100000743915_100000716957 [0,1,0,0,0,1|2,0,0]=4 1750 B15R1.8422 C[C@H](NCc1cc(ccc1F)F)C(=O)O 269956a_100000743915_100000685659 [0,1,0,0,0,1|2,0,0]=4 1751 B15R1.8422 C[C@H](NCc1cc(ccc1F)I)C(=O)O 269956a_100000743915_200010149601 [0,1,0,0,0,1|2,0,0]=4 1752 B15R1.8422 C[C@H](NCc1cc(ccc1I)Br)C(=O)O 269956a_100000743915_100012362523 [0,1,0,0,0,1|2,0,0]=4 1753 B15R1.8422 C[C@H](NCc1cc(ccc1I)Cl)C(=O)O 269956a_100000743915_100012348826 [0,1,0,0,0,1|2,0,0]=4 1754 B15R1.8422 C[C@H](NCc1cc(ccc1I)F)C(=O)O 269956a_100000743915_100010149606 [0,1,0,0,0,1|2,0,0]=4 1755 B15R1.8422 C[C@H](NCc1cc(ccc1O)F)C(=O)O 269956a_100000743915_100010161318 [0,1,0,0,0,1|2,0,0]=4 1756 B15R1.8422 Cc1ccc(c(c1)CN[C@@H](C)C(=O)O)C 269956a_100000743915_100000184699 [0,1,0,0,0,1|2,0,0]=4 1757 B15R1.8422 Cc1ccc(c(c1)CN[C@@H](C)C(=O)O)Cl 269956a_100000743915_100009871730 [0,1,0,0,0,1|2,0,0]=4 1758 B15R1.8422 Cc1ccc(c(c1)CN[C@@H](C)C(=O)O)F 269956a_100000743915_100011260760 [0,1,0,0,0,1|2,0,0]=4 1759 B15R1.8422 Cc1ccc(cc1CNC(C)C(=O)N)O 34a_200009844824_100000702099 [0,1,0,0,0,1|2,0,0]=4 1760 B15R1.8422 Cc1ccc(cc1CNC(F)C(=O)N)O 34a_200009844824_100009813875 [0,1,0,0,0,1|2,0,0]=4 1761 B15R1.8422 Cc1ccc(cc1CNC(F)C(=O)[O-])O 34a_200009844824_100020610796 [0,1,0,0,0,1|1,0,1]=4 1762 B15R1.8422 Cc1ccc(cc1CN[C@@H](C)C(=O)O)Cl 269956a_100000743915_100012186985 [0,1,0,0,0,1|2,0,0]=4 1763 B15R1.8422 Cc1ccc(cc1CN[C@@H](C)C(=O)O)F 269956a_100000743915_100000709795 [0,1,0,0,0,1|2,0,0]=4 1764 B15R1.29570 CC(=O)C(C)(C)OCc1cccc(c1)O 34a_100000747739_100011660834 [0,1,0,0,0,1|2,0,0]=4 1765 B15R1.29570 CC(=O)C(C)(C)OCc1cccc(c1)O 7a_100000747739_100000084143 [0,1,0,0,0,1|2,0,0]=4 1766 B15R1.29570 CC(=O)C(C)(C)SCc1cccc(c1)O 62a_100000075568_100011660834 [0,1,0,0,0,1|2,0,0]=4 1767 B15R1.29570 CC(=O)C(C)(C)SCc1cccc(c1)O 62a_100011660834_100000075568 [0,1,0,0,0,1|2,0,0]=4 1768 B15R1.29570 CC(C)(CNc1cccc(c1)O)C(=O)N 34a_100000210217_200009895572 [0,1,0,0,0,1|2,0,0]=4 1769 B15R1.29570 CC(C)(CSc1cccc(c1)O)C(=O)N 62a_200009895572_100000211634 [0,1,0,0,0,1|2,0,0]=4 1770 B15R1.29570 CC(C)(NCc1cccc(c1)O)C(=O)N 2230a_100000743036_100000702505 [0,1,0,0,0,1|2,0,0]=4 1771 B15R1.29570 CC(C)(NCc1cccc(c1)O)C(=O)N 2230a_100000743658_100011660834 [0,1,0,0,0,1|2,0,0]=4 1772 B15R1.29570 CC(C)(NCc1cccc(c1)O)C(=O)N 34a_100000743036_100000702505 [0,1,0,0,0,1|2,0,0]=4 1773 B15R1.29570 CC(C)(NCc1cccc(c1)O)C(=O)N 34a_100000743658_100011660834 [0,1,0,0,0,1|2,0,0]=4 1774 B15R1.29570 CC(C)(OCc1cccc(c1)O)C(=O)N 34a_100011626353_100011660834 [0,1,0,0,0,1|2,0,0]=4 1775 B15R1.29570 CC(C)(OCc1cccc(c1)O)C(=O)N 7a_100011626353_100000084143 [0,1,0,0,0,1|2,0,0]=4 1776 B15R1.29570 CC(C)(SCc1cccc(c1)O)C(=O)N 62a_100000702505_100011660834 [0,1,0,0,0,1|2,0,0]=4 1777 B15R1.29570 CC(C)(SCc1cccc(c1)O)C(=O)N 62a_100011660834_100000702505 [0,1,0,0,0,1|2,0,0]=4 1778 B15R1.29570 NC(=O)C(F)(F)SCc1cccc(c1)O 62a_100009811971_100011660834 [0,1,0,0,0,1|2,0,0]=4 1779 B15R1.29570 NC(=O)C(F)(F)SCc1cccc(c1)O 62a_100011660834_100009811971 [0,1,0,0,0,1|2,0,0]=4 1780 B15R1.29570 O=C([O-])C(F)(F)NCc1cccc(c1)O 34a_100000743036_100020612412 [0,1,0,0,0,1|1,0,1]=4 1781 B15R1.29570 O=C([O-])C(F)(F)SCc1cccc(c1)O 62a_100000745680_100011660834 [0,1,0,0,0,1|1,0,1]=4 1782 B15R1.29570 O=C([O-])C(F)(F)SCc1cccc(c1)O 62a_100011660834_100000745680 [0,1,0,0,0,1|1,0,1]=4 1783 B15R1.663 CCN(CC(=O)O)Cc1cccc(c1)O 269956a_100000746405_100011660834 [0,1,0,0,0,1|2,0,0]=4 1784 B15R1.663 CN[C@@H](CC(=O)O)Cc1cccc(c1)F 269956a_100016990688_200000210301 [0,1,0,0,0,1|1,0,0]=3 1785 B15R1.663 CN[C@H](CC(=O)O)Cc1cccc(c1)Cl 269956a_100016990687_200000210301 [0,1,0,0,0,1|1,0,0]=3 1786 B15R1.663 [13CH3]N[C@@H](CC(=O)O)Cc1cccc(c1)F 269956a_100016990688_200025704644 [0,1,0,0,0,1|1,0,0]=3 1787 B15R1.663 [13CH3]N[C@H](CC(=O)O)Cc1cccc(c1)Cl 269956a_100016990687_200025704644 [0,1,0,0,0,1|1,0,0]=3 1788 B15R1.982 COC(=O)CC(=O)Cc1cccc(c1)O 1458a_100000211351_100011660834 [0,1,0,0,0,1|1,0,1]=4 1789 B15R1.982 COC(=O)CC(=O)Cc1cccc(c1)O 1458a_100000745134_100000747449 [0,1,0,0,0,1|1,0,1]=4 1790 B15R1.982 COC(=O)CC(C)Nc1cccc(c1)O 34a_100000210217_100009817358 [0,1,0,0,0,1|2,0,0]=4 1791 B15R1.982 COC(=O)CC(C)Sc1cccc(c1)O 62a_100009817358_100000211634 [0,1,0,0,0,1|2,0,0]=4 1792 B15R1.982 COC(=O)CN(C)Cc1cccc(c1)O 2230a_100000198492_100011660834 [0,1,0,0,0,1|2,0,0]=4 1793 B15R1.982 COC(=O)CN(C)Cc1cccc(c1)O 2230a_100000207540_100000747449 [0,1,0,0,0,1|2,0,0]=4 1794 B15R1.982 COC(=O)CN(C)Cc1cccc(c1)O 269982a_100000207540_100000747449 [0,1,0,0,0,1|2,0,0]=4 1795 B15R1.982 COC(=O)CN(C)Cc1cccc(c1)O 270004a_100000198492_100000188321 [0,1,0,0,0,1|2,0,0]=4 1796 B15R1.1624 CN(CC(=O)O)Cc1cccc(c1)CO 269956a_100000746989_100010188025 [0,1,0,0,0,1|2,0,0]=4 1797 B15R1.1624 COc1cccc(c1)CN(C)CC(=O)O 269956a_100000746989_100000211672 [0,1,0,0,0,1|2,0,0]=4 1798 B15R1.1624 COc1cccc(c1)CN(C)CC(=O)O 269956a_200011259090_200000210301 [0,1,0,0,0,1|2,0,0]=4 1799 B15R1.1624 COc1cccc(c1)CN([13CH3])CC(=O)O 269956a_200011259090_200025704644 [0,1,0,0,0,1|2,0,0]=4 1800 B15R1.63 C=Cc1cccc(c1)CC(N)C(=O)OC 271570a_100011290941_100102946621 [0,2,0,0,0,0|1,0,0]=3 1801 B15R1.63 CCC(=O)C(O)Cc1cccc(c1)OC 1458a_100000693103_100000210202 [0,2,0,0,0,0|2,0,0]=4 1802 B15R1.63 CNC(=O)C(O)Cc1cccc(c1)OC 240690a_100102657272_100000693103 [0,2,0,0,0,0|2,0,0]=4 1803 B15R1.63 COC(=O)C(C)Nc1cccc(c1)CO 2230a_100000211919_100000211248 [0,2,0,0,0,0|2,0,0]=4 1804 B15R1.63 COC(=O)C(C)Nc1cccc(c1)CO 34a_100000211919_100000211248 [0,2,0,0,0,0|2,0,0]=4 1805 B15R1.63 COC(=O)C(C)Nc1cccc(c1)OC 34a_100000210024_100000211248 [0,2,0,0,0,0|2,0,0]=4 1806 B15R1.63 COC(=O)C(C)Oc1cccc(c1)CO 34a_100011214949_100000211248 [0,2,0,0,0,0|2,0,0]=4 1807 B15R1.63 COC(=O)C(C)Oc1cccc(c1)CO 7a_100011214949_100000211248 [0,2,0,0,0,0|2,0,0]=4 1808 B15R1.63 COC(=O)C(C)Oc1cccc(c1)OC 34a_100000211255_100000211248 [0,2,0,0,0,0|2,0,0]=4 1809 B15R1.63 COC(=O)C(C)Oc1cccc(c1)OC 7a_100000211255_100000211248 [0,2,0,0,0,0|2,0,0]=4 1810 B15R1.63 COC(=O)C(C)Sc1cccc(c1)CO 62a_100000211248_100000687537 [0,2,0,0,0,0|2,0,0]=4 1811 B15R1.63 COC(=O)C(C)Sc1cccc(c1)CO 62a_100000687537_100000211248 [0,2,0,0,0,0|2,0,0]=4 1812 B15R1.63 COC(=O)C(C)Sc1cccc(c1)OC 62a_100000211248_100000170001 [0,2,0,0,0,0|2,0,0]=4 1813 B15R1.63 COC(=O)C(N)Cc1cccc(c1)SC 62a_100102946621_200000210301 [0,2,0,0,0,0|0,1,0]=3 1814 B15R1.63 COC(=O)C(N)Cc1cccc(c1)SC 62a_200000210301_100102946621 [0,2,0,0,0,0|0,1,0]=3 1815 B15R1.63 COC(=O)C(N)Cc1cccc(c1)S[13CH3] 62a_100102946621_200025704644 [0,2,0,0,0,0|0,1,0]=3 1816 B15R1.63 COC(=O)C(N)Cc1cccc(c1)S[13CH3] 62a_200025704644_100102946621 [0,2,0,0,0,0|0,1,0]=3 1817 B15R1.63 COC(=O)C(O)Cc1cccc(c1)OC 34a_100020587144_200000210301 [0,2,0,0,0,0|1,0,0]=3 1818 B15R1.63 COC(=O)C(O)Cc1cccc(c1)OC 7a_100020587144_200000210301 [0,2,0,0,0,0|1,0,0]=3 1819 B15R1.63 COC(=O)C(O)Cc1cccc(c1)O[13CH3] 34a_100020587144_200025704644 [0,2,0,0,0,0|1,0,0]=3 1820 B15R1.63 COC(=O)C(O)Cc1cccc(c1)O[13CH3] 7a_100020587144_200025704644 [0,2,0,0,0,0|1,0,0]=3 1821 B15R1.63 COC(=O)[C@@H](N)Cc1cccc(c1)OC 34a_100016991376_200000210301 [0,2,0,0,0,0|0,0,0]=2 1822 B15R1.63 COC(=O)[C@@H](N)Cc1cccc(c1)O[13CH3] 34a_100016991376_200025704644 [0,2,0,0,0,0|0,0,0]=2 1823 B15R1.63 COc1cccc(c1)CC(O)C(=O)CF 1458a_100000693103_100015361967 [0,2,0,0,0,0|2,0,0]=4 1824 B15R1.63 COc1cccc(c1)CN(C)C(=O)CO 240690a_100000184262_100000210174 [0,2,0,0,0,0|2,0,0]=4 1825 B15R1.63 COc1cccc(c1)CN(C)C(=O)CO 527a_100000184262_100000210174 [0,2,0,0,0,0|2,0,0]=4 1826 B15R1.49 CCOC(=O)C(C)Nc1cccc(c1)O 34a_100000210217_100011216346 [0,2,0,0,0,0|2,0,0]=4 1827 B15R1.49 CCOC(=O)C(C)Oc1cccc(c1)O 271570a_203496583355_200011537522 [0,2,0,0,0,0|2,0,0]=4 1828 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)O 271570a_203496583355_200011756048 [0,2,0,0,0,0|2,0,0]=4 1829 B15R1.49 CCOC(=O)C(C)Sc1cccc(c1)O 62a_100011216346_100000211634 [0,2,0,0,0,0|2,0,0]=4 1830 B15R1.49 CCOC(=O)C(F)Nc1cccc(c1)O 34a_100000210217_100000760018 [0,2,0,0,0,0|2,0,0]=4 1831 B15R1.49 CCOC(=O)C(F)Sc1cccc(c1)O 62a_100000760018_100000211634 [0,2,0,0,0,0|2,0,0]=4 1832 B15R1.49 CN(Cc1cccc(c1)O)C(=O)CCO 240690a_100000207540_100011216618 [0,2,0,0,0,0|2,0,0]=4 1833 B15R1.49 COCC(=O)N(C)Cc1cccc(c1)O 240690a_100000207540_100000210968 [0,2,0,0,0,0|2,0,0]=4 1834 B15R1.49 COCC(=O)N(C)Cc1cccc(c1)O 527a_100000207540_100000210968 [0,2,0,0,0,0|2,0,0]=4 1835 B15R1.49 O=C(CCO)C(O)Cc1cccc(c1)Br 1458a_100012362086_100000211926 [0,2,0,0,0,0|2,0,0]=4 1836 B15R1.49 O=C(CCO)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_100000211926 [0,2,0,0,0,0|2,0,0]=4 1837 B15R1.76 COC(=O)C(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000211248 [0,2,0,0,0,0|1,0,1]=4 1838 B15R1.76 COC(=O)C(C)N(C)c1cccc(c1)O 2230a_100000756613_100000211248 [0,2,0,0,0,0|2,0,0]=4 1839 B15R1.76 COC(=O)C(C)N(C)c1cccc(c1)O 269982a_100000756613_100000211248 [0,2,0,0,0,0|2,0,0]=4 1840 B15R1.76 COC(=O)C(C)N(C)c1cccc(c1)O 34a_100000756613_100000211248 [0,2,0,0,0,0|2,0,0]=4 1841 B15R1.113 COC(=O)C(C)Nc1cccc(c1Br)O 34a_100012183704_100000211248 [0,2,0,0,0,0|2,0,0]=4 1842 B15R1.113 COC(=O)C(C)Nc1cccc(c1Br)O 7a_100012183704_100000211248 [0,2,0,0,0,0|2,0,0]=4 1843 B15R1.113 COC(=O)C(C)Nc1cccc(c1C)O 34a_100011216573_100000211248 [0,2,0,0,0,0|2,0,0]=4 1844 B15R1.113 COC(=O)C(C)Nc1cccc(c1C)O 7a_100011216573_100000211248 [0,2,0,0,0,0|2,0,0]=4 1845 B15R1.113 COC(=O)C(C)Nc1cccc(c1Cl)O 34a_100012002038_100000211248 [0,2,0,0,0,0|2,0,0]=4 1846 B15R1.113 COC(=O)C(C)Nc1cccc(c1Cl)O 7a_100012002038_100000211248 [0,2,0,0,0,0|2,0,0]=4 1847 B15R1.113 COC(=O)C(C)Sc1cccc(c1Br)O 62a_100000211248_100010187914 [0,2,0,0,0,0|2,0,0]=4 1848 B15R1.113 COC(=O)C(C)Sc1cccc(c1Br)O 62a_100010187914_100000211248 [0,2,0,0,0,0|2,0,0]=4 1849 B15R1.113 COC(=O)C(C)Sc1cccc(c1C)O 62a_100000211248_100012002258 [0,2,0,0,0,0|2,0,0]=4 1850 B15R1.113 COC(=O)C(C)Sc1cccc(c1C)O 62a_100012002258_100000211248 [0,2,0,0,0,0|2,0,0]=4 1851 B15R1.113 COC(=O)C(C)Sc1cccc(c1Cl)O 62a_100000211248_100000049636 [0,2,0,0,0,0|2,0,0]=4 1852 B15R1.113 COC(=O)C(C)Sc1cccc(c1F)O 62a_100000211248_100009817021 [0,2,0,0,0,0|2,0,0]=4 1853 B15R1.113 COC(=O)C(C)Sc1cccc(c1F)O 62a_100009817021_100000211248 [0,2,0,0,0,0|2,0,0]=4 1854 B15R1.113 COC(=O)C(C)Sc1cccc(c1N)O 62a_100000211248_100011934926 [0,2,0,0,0,0|2,0,0]=4 1855 B15R1.113 COC(=O)C(C)Sc1cccc(c1O)O 62a_100000211248_100009815950 [0,2,0,0,0,0|2,0,0]=4 1856 B15R1.1374 CCC(Nc1cccc(c1)O)C(=O)OC 34a_100000210217_100000235869 [0,2,0,0,0,0|2,0,0]=4 1857 B15R1.1374 CCC(Sc1cccc(c1)O)C(=O)OC 62a_100000235869_100000211634 [0,2,0,0,0,0|2,0,0]=4 1858 B15R1.1374 CCN(Cc1cccc(c1)O)C(=O)CO 240690a_100000201218_100000210174 [0,2,0,0,0,0|2,0,0]=4 1859 B15R1.1374 CCN(Cc1cccc(c1)O)C(=O)CO 527a_100000201218_100000210174 [0,2,0,0,0,0|2,0,0]=4 1860 B15R1.1374 COC(=O)C(C=O)Nc1cccc(c1)O 34a_100000210217_100000046368 [0,2,0,0,0,0|2,0,0]=4 1861 B15R1.1374 COC(=O)C(C=O)Sc1cccc(c1)O 62a_100000046368_100000211634 [0,2,0,0,0,0|2,0,0]=4 1862 B15R1.1374 COC(=O)C(CO)Nc1cccc(c1)O 34a_100000210217_100012276630 [0,2,0,0,0,0|2,0,0]=4 1863 B15R1.1374 COC(=O)C(CO)Sc1cccc(c1)O 62a_100012276630_100000211634 [0,2,0,0,0,0|2,0,0]=4 1864 B15R1.1374 COC(=O)C(Nc1cccc(c1)O)OC 34a_100000210217_100000101307 [0,2,0,0,0,0|2,0,0]=4 1865 B15R1.1374 COC(=O)C(OC)Sc1cccc(c1)O 62a_100000101307_100000211634 [0,2,0,0,0,0|2,0,0]=4 1866 B15R1.5513 COC(=O)C(C)Nc1cc(ccc1Br)O 34a_100011999798_100000211248 [0,2,0,0,0,0|2,0,0]=4 1867 B15R1.5513 COC(=O)C(C)Nc1cc(ccc1C)O 34a_100011216113_100000211248 [0,2,0,0,0,0|2,0,0]=4 1868 B15R1.5513 COC(=O)C(C)Nc1cc(ccc1Cl)O 34a_100011934297_100000211248 [0,2,0,0,0,0|2,0,0]=4 1869 B15R1.5513 COC(=O)C(C)Nc1cc(ccc1F)O 34a_100012017239_100000211248 [0,2,0,0,0,0|2,0,0]=4 1870 B15R1.5513 COC(=O)C(C)Sc1cc(ccc1Br)O 62a_100000211248_100012339312 [0,2,0,0,0,0|2,0,0]=4 1871 B15R1.5513 COC(=O)C(C)Sc1cc(ccc1Br)O 62a_100012339312_100000211248 [0,2,0,0,0,0|2,0,0]=4 1872 B15R1.5513 COC(=O)C(C)Sc1cc(ccc1C)O 62a_100000211248_100011380479 [0,2,0,0,0,0|2,0,0]=4 1873 B15R1.5513 COC(=O)C(C)Sc1cc(ccc1C)O 62a_100011380479_100000211248 [0,2,0,0,0,0|2,0,0]=4 1874 B15R1.5513 COC(=O)C(C)Sc1cc(ccc1Cl)O 62a_100000049588_100000211248 [0,2,0,0,0,0|2,0,0]=4 1875 B15R1.5513 COC(=O)C(C)Sc1cc(ccc1Cl)O 62a_100000211248_100000049588 [0,2,0,0,0,0|2,0,0]=4 1876 B15R1.5513 COC(=O)C(C)Sc1cc(ccc1F)O 62a_100000211248_100000693481 [0,2,0,0,0,0|2,0,0]=4 1877 B15R1.5513 COC(=O)C(C)Sc1cc(ccc1F)O 62a_100000693481_100000211248 [0,2,0,0,0,0|2,0,0]=4 1878 B15R1.5513 COC(=O)C(C)Sc1cc(ccc1N)O 62a_100000211248_100012001276 [0,2,0,0,0,0|2,0,0]=4 1879 B15R1.5513 COC(=O)C(C)Sc1cc(ccc1N)O 62a_100012001276_100000211248 [0,2,0,0,0,0|2,0,0]=4 1880 B15R1.5513 COC(=O)C(C)Sc1cc(ccc1O)O 62a_100000211248_100009813629 [0,2,0,0,0,0|2,0,0]=4 1881 B15R1.5515 COC(=O)C(C)Nc1cc(cc(c1)Cl)O 34a_100000123917_100000211248 [0,2,0,0,0,0|2,0,0]=4 1882 B15R1.5515 COC(=O)C(C)Nc1cc(cc(c1)Cl)O 7a_100000123917_100000211248 [0,2,0,0,0,0|2,0,0]=4 1883 B15R1.5515 COC(=O)C(C)Nc1cc(cc(c1)O)C 34a_100011995906_100000211248 [0,2,0,0,0,0|2,0,0]=4 1884 B15R1.5515 COC(=O)C(C)Nc1cc(cc(c1)O)C 7a_100011995906_100000211248 [0,2,0,0,0,0|2,0,0]=4 1885 B15R1.5515 COC(=O)C(C)Nc1cc(cc(c1)O)O 34a_100000043371_100000211248 [0,2,0,0,0,0|2,0,0]=4 1886 B15R1.5515 COC(=O)C(C)Sc1cc(cc(c1)Br)O 62a_100000211248_100010068917 [0,2,0,0,0,0|2,0,0]=4 1887 B15R1.5515 COC(=O)C(C)Sc1cc(cc(c1)Br)O 62a_100010068917_100000211248 [0,2,0,0,0,0|2,0,0]=4 1888 B15R1.5515 COC(=O)C(C)Sc1cc(cc(c1)Cl)O 62a_100000211248_100010068924 [0,2,0,0,0,0|2,0,0]=4 1889 B15R1.5515 COC(=O)C(C)Sc1cc(cc(c1)Cl)O 62a_100010068924_100000211248 [0,2,0,0,0,0|2,0,0]=4 1890 B15R1.5515 COC(=O)C(C)Sc1cc(cc(c1)F)O 62a_100000211248_100000688818 [0,2,0,0,0,0|2,0,0]=4 1891 B15R1.5515 COC(=O)C(C)Sc1cc(cc(c1)F)O 62a_100000688818_100000211248 [0,2,0,0,0,0|2,0,0]=4 1892 B15R1.5515 COC(=O)C(C)Sc1cc(cc(c1)O)C 62a_100000211248_100011999630 [0,2,0,0,0,0|2,0,0]=4 1893 B15R1.5515 COC(=O)C(C)Sc1cc(cc(c1)O)O 62a_100000211248_100009868816 [0,2,0,0,0,0|2,0,0]=4 1894 B15R1.5521 CCC(=O)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_100000210202 [0,2,0,0,0,0|2,0,0]=4 1895 B15R1.5521 CN(Cc1ccc(c(c1)O)O)C(=O)CO 240690a_100020587154_100000210174 [0,2,0,0,0,0|2,0,0]=4 1896 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)O)C 34a_100000759471_100000211248 [0,2,0,0,0,0|2,0,0]=4 1897 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)O)C 7a_100000759471_100000211248 [0,2,0,0,0,0|2,0,0]=4 1898 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)O)Cl 34a_100011934209_100000211248 [0,2,0,0,0,0|2,0,0]=4 1899 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)O)F 34a_100012017398_100000211248 [0,2,0,0,0,0|2,0,0]=4 1900 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)O)F 7a_100012017398_100000211248 [0,2,0,0,0,0|2,0,0]=4 1901 B15R1.5521 COC(=O)C(C)Nc1ccc(c(c1)O)O 34a_100102946323_100000211248 [0,2,0,0,0,0|2,0,0]=4 1902 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)O)Br 62a_100000211248_100012356990 [0,2,0,0,0,0|2,0,0]=4 1903 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)O)Br 62a_100012356990_100000211248 [0,2,0,0,0,0|2,0,0]=4 1904 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)O)C 62a_100000211248_100000685420 [0,2,0,0,0,0|2,0,0]=4 1905 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)O)C 62a_100000685420_100000211248 [0,2,0,0,0,0|2,0,0]=4 1906 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)O)Cl 62a_100000211248_100011356854 [0,2,0,0,0,0|2,0,0]=4 1907 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)O)Cl 62a_100011356854_100000211248 [0,2,0,0,0,0|2,0,0]=4 1908 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)O)F 62a_100000211248_100000686035 [0,2,0,0,0,0|2,0,0]=4 1909 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)O)F 62a_100000686035_100000211248 [0,2,0,0,0,0|2,0,0]=4 1910 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)O)N 62a_100000211248_100000739049 [0,2,0,0,0,0|2,0,0]=4 1911 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)O)N 62a_100000739049_100000211248 [0,2,0,0,0,0|2,0,0]=4 1912 B15R1.5521 COC(=O)C(C)Sc1ccc(c(c1)O)O 62a_100000211248_100009813601 [0,2,0,0,0,0|2,0,0]=4 1913 B15R1.5521 O=C(CF)C(O)Cc1ccc(c(c1)O)O 1458a_100020667051_100015361967 [0,2,0,0,0,0|2,0,0]=4 1914 B15R1.11653 COC(=O)C(C)(C)Cc1cccc(c1)O 271570a_203496583355_200010365142 [0,2,0,0,0,0|1,0,0]=3 1915 B15R1.11653 COC(=O)C(C)(C)Sc1cccc(c1)O 62a_100000689032_100000211634 [0,2,0,0,0,0|2,0,0]=4 1916 B15R1.11653 COC(=O)C(C)(F)Nc1cccc(c1)O 34a_100000210217_200009867631 [0,2,0,0,0,0|2,0,0]=4 1917 B15R1.11653 COC(=O)C(C)(F)Sc1cccc(c1)O 62a_200009867631_100000211634 [0,2,0,0,0,0|2,0,0]=4 1918 B15R1.11653 COC(=O)C(F)(F)Nc1cccc(c1)O 34a_100000210217_100000211177 [0,2,0,0,0,0|2,0,0]=4 1919 B15R1.11653 COC(=O)C(F)(F)Sc1cccc(c1)O 62a_100000211177_100000211634 [0,2,0,0,0,0|2,0,0]=4 1920 B15R1.664 CNC(Cc1cccc(c1F)Cl)C(=O)O 269956a_100161115158_200000210301 [0,2,0,0,0,0|1,0,0]=3 1921 B15R1.664 CN[C@@H](Cc1cccc(c1Cl)Cl)C(=O)O 269956a_200011737824_200000210301 [0,2,0,0,0,0|1,0,0]=3 1922 B15R1.664 [13CH3]NC(Cc1cccc(c1F)Cl)C(=O)O 269956a_100161115158_200025704644 [0,2,0,0,0,0|1,0,0]=3 1923 B15R1.664 [13CH3]N[C@@H](Cc1cccc(c1Cl)Cl)C(=O)O 269956a_200011737824_200025704644 [0,2,0,0,0,0|1,0,0]=3 1924 B15R1.644 CNC(Cc1cc(ccc1Cl)Cl)C(=O)O 269956a_100159266452_200000210301 [0,2,0,0,0,0|1,0,0]=3 1925 B15R1.644 [13CH3]NC(Cc1cc(ccc1Cl)Cl)C(=O)O 269956a_100159266452_200025704644 [0,2,0,0,0,0|1,0,0]=3 1926 B15R1.650 CNC(Cc1cc(cc(c1)C)C)C(=O)O 269956a_200000752520_200000210301 [0,2,0,0,0,0|1,0,0]=3 1927 B15R1.650 CNC(Cc1cc(cc(c1)F)F)C(=O)O 269956a_100011217460_200000210301 [0,2,0,0,0,0|1,0,0]=3 1928 B15R1.650 CN[C@@H](Cc1cc(cc(c1)Cl)Cl)C(=O)O 269956a_100011737883_200000210301 [0,2,0,0,0,0|1,0,0]=3 1929 B15R1.650 Cc1cc(cc(c1)CC(N[13CH3])C(=O)O)C 269956a_200000752520_200025704644 [0,2,0,0,0,0|1,0,0]=3 1930 B15R1.650 [13CH3]NC(Cc1cc(cc(c1)F)F)C(=O)O 269956a_100011217460_200025704644 [0,2,0,0,0,0|1,0,0]=3 1931 B15R1.650 [13CH3]N[C@@H](Cc1cc(cc(c1)Cl)Cl)C(=O)O 269956a_100011737883_200025704644 [0,2,0,0,0,0|1,0,0]=3 1932 B15R1.676 CNC(Cc1ccc(c(c1)Cl)F)C(=O)O 269956a_103549770568_200000210301 [0,2,0,0,0,0|1,0,0]=3 1933 B15R1.676 CN[C@@H](Cc1ccc(c(c1)Cl)Cl)C(=O)O 269956a_100011737835_200000210301 [0,2,0,0,0,0|1,0,0]=3 1934 B15R1.676 CN[C@@H](Cc1ccc(c(c1)F)F)C(=O)O 269956a_100011737850_200000210301 [0,2,0,0,0,0|1,0,0]=3 1935 B15R1.676 [13CH3]NC(Cc1ccc(c(c1)Cl)F)C(=O)O 269956a_103549770568_200025704644 [0,2,0,0,0,0|1,0,0]=3 1936 B15R1.676 [13CH3]N[C@@H](Cc1ccc(c(c1)Cl)Cl)C(=O)O 269956a_100011737835_200025704644 [0,2,0,0,0,0|1,0,0]=3 1937 B15R1.676 [13CH3]N[C@@H](Cc1ccc(c(c1)F)F)C(=O)O 269956a_100011737850_200025704644 [0,2,0,0,0,0|1,0,0]=3 1938 B15R1.1302 CCNC(Cc1cccc(c1)Cl)C(=O)O 269956a_100000685206_100000210202 [0,2,0,0,0,0|1,0,0]=3 1939 B15R1.1302 CCNC(Cc1cccc(c1)F)C(=O)O 269956a_100102707141_100000210202 [0,2,0,0,0,0|1,0,0]=3 1940 B15R1.1302 O=C(O)C(Cc1cccc(c1)Cl)NCF 269956a_100000685206_100015361967 [0,2,0,0,0,0|1,0,0]=3 1941 B15R1.1302 O=C(O)C(Cc1cccc(c1)F)NCF 269956a_100102707141_100015361967 [0,2,0,0,0,0|1,0,0]=3 1942 B15R1.5732 CC(=O)C(Cc1cccc(c1)Cl)N(C)C 269982a_100102631434_200009990483 [0,2,0,0,0,0|2,0,0]=4 1943 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200000210301 [1,0,0,1,0,0|2,0,0]=4 1944 B13R2.423 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200025704644 [1,0,0,1,0,0|2,0,0]=4 1945 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000070787_100000753484 [1,0,0,1,0,0|2,0,0]=4 1946 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000685393_200000210301 [1,0,0,1,0,0|2,0,0]=4 1947 B13R2.435 CC(=O)C1Cc2ccccc2O1 1458a_100000209886_200000210301 [1,0,0,1,0,0|2,0,0]=4 1948 B13R2.435 CC(=O)C1Cc2ccccc2S1 1458a_100000024912_200000210301 [1,0,0,1,0,0|2,0,0]=4 1949 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2C1 1458a_100000685393_200025704644 [1,0,0,1,0,0|2,0,0]=4 1950 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2O1 1458a_100000209886_200025704644 [1,0,0,1,0,0|2,0,0]=4 1951 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2S1 1458a_100000024912_200025704644 [1,0,0,1,0,0|2,0,0]=4 1952 B13R2.43 O=Cc1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009820874 [1,0,0,1,0,0|0,0,2]=4 1953 B13R2.54 OCC1Cc2cccc(c2O1)O 271570a_203496583355_200102525175 [1,0,0,1,0,0|1,0,1]=4 1954 B13R2.5190 CC1Cc2cc(ccc2C1=O)O 271570a_203496583355_100010169280 [1,0,0,1,0,0|1,0,0]=3 1955 B13R2.5190 CN1Cc2cc(ccc2C1=O)O 271570a_203496583355_100010161043 [1,0,0,1,0,0|2,0,0]=4 1956 B13R2.162 O=C1CCc2cccc(c2C1)O 271570a_203496583355_100010006498 [1,0,0,1,0,0|1,0,0]=3 1957 B13R2.3683 O=C1CCc2cc(ccc2C1)O 271570a_203496583355_100000753102 [1,0,0,1,0,0|1,0,0]=3 1958 B13R2.3683 O=C1CCc2cc(ccc2N1)O 271570a_203496583355_100000754843 [1,0,0,1,0,0|1,0,0]=3 1959 B13R2.3683 O=C1CCc2cc(ccc2O1)O 271570a_203496583355_100010179853 [1,0,0,1,0,0|0,0,0]=2 1960 B13R2.3683 O=C1CCc2cc(cnc2N1)O 271570a_203496583355_100010162403 [1,0,0,1,0,0|2,0,0]=4 1961 B13R2.3683 O=C1CNc2cc(ccc2N1)O 271570a_203496583355_100000693460 [1,0,0,1,0,0|2,0,0]=4 1962 B13R2.3683 O=C1COc2cc(ccc2N1)O 271570a_203496583355_100000745508 [1,0,0,1,0,0|2,0,0]=4 1963 B13R2.3683 O=C1CSc2cc(ccc2N1)O 271570a_203496583355_100011830382 [1,0,0,1,0,0|2,0,0]=4 1964 B13R2.3683 O=C1Cc2ccc(cc2CN1)O 271570a_203496583355_100010174877 [1,0,0,1,0,0|2,0,0]=4 1965 B13R2.3683 O=C1NCc2cc(ccc2N1)O 271570a_203496583355_100010171468 [1,0,0,1,0,0|2,0,0]=4 1966 B13R2.3683 O=C1Nc2ccc(cc2CO1)O 271570a_203496583355_100010219366 [1,0,0,1,0,0|2,0,0]=4 1967 B13R2.3683 O=c1ccc2cc(ccc2o1)O 271570a_203496583355_100009999946 [1,0,0,1,0,0|0,0,2]=4 1968 B13R2.3028 CC1C(=O)Nc2c1cc(cc2)O 271570a_203496583355_100010251565 [0,0,0,1,1,0|2,0,0]=4 1969 B15R2.329 O=C1CCC1NCc2cccc(c2)O 34a_100000743036_100009892977 [0,0,0,1,0,1|2,0,0]=4 1970 B15R2.329 O=C1CCC1SCc2cccc(c2)O 62a_100009892977_100011660834 [0,0,0,1,0,1|2,0,0]=4 1971 B15R2.329 O=C1CCC1SCc2cccc(c2)O 62a_100011660834_100009892977 [0,0,0,1,0,1|2,0,0]=4 1972 B15R2.1115 O=C1OCC(O1)Nc2cccc(c2)O 34a_100000210217_100000032252 [0,0,0,1,0,1|2,0,0]=4 1973 B15R2.335 O=C1OCCC1Nc2cccc(c2)O 34a_100000210217_100000211211 [0,1,0,1,0,0|2,0,0]=4 1974 B15R2.335 O=C1OCCC1Sc2cccc(c2)O 62a_100000211211_100000211634 [0,1,0,1,0,0|2,0,0]=4 1975 B15R2.1590 CCC(=O)C1Cc2cc(ccc2O1)O 1458a_200009830173_100000210202 [0,1,0,1,0,0|2,0,0]=4 1976 B15R2.1590 CNC(=O)C1Cc2cc(ccc2O1)O 240690a_100102657272_200009830173 [0,1,0,1,0,0|2,0,0]=4 1977 B15R2.1590 CNC(=O)C1Cc2cc(ccc2O1)O 527a_100102657272_200009830173 [0,1,0,1,0,0|2,0,0]=4 1978 B15R2.1590 COC(=O)c1cc2cc(ccc2[nH]1)O 271570a_203496583355_100009814476 [0,1,0,1,0,0|0,0,2]=4 1979 B15R2.1590 O=C(CF)C1Cc2cc(ccc2O1)O 1458a_200009830173_100015361967 [0,1,0,1,0,0|2,0,0]=4 1980 B15R2.1590 O=C(CO)N1Cc2ccc(cc2C1)O 240690a_100015195982_100000210174 [0,1,0,1,0,0|2,0,0]=4 1981 B15R2.1590 O=C(CO)N1Cc2ccc(cc2C1)O 527a_100015195982_100000210174 [0,1,0,1,0,0|2,0,0]=4 1982 B15R2.1598 COC(=O)c1cc2cccc(c2[nH]1)O 271570a_203496583355_100010236140 [0,1,0,1,0,0|0,0,2]=4 1983 B15R2.1598 O=C(CO)N1Cc2cccc(c2C1)O 240690a_100015191671_100000210174 [0,1,0,1,0,0|2,0,0]=4 1984 B15R2.1598 O=C(CO)N1Cc2cccc(c2C1)O 527a_100015191671_100000210174 [0,1,0,1,0,0|2,0,0]=4 1985 B15R2.7174 CC(=O)C1CCc2ccc(cc2C1)O 1458a_100000087082_200000210301 [0,1,0,1,0,0|2,0,0]=4 1986 B15R2.7174 [13CH3]C(=O)C1CCc2ccc(cc2C1)O 1458a_100000087082_200025704644 [0,1,0,1,0,0|2,0,0]=4 1987 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [1,0,0,0,1,0|2,0,0]=4 1988 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [1,0,0,0,1,0|2,0,0]=4 1989 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [1,0,0,0,1,0|2,0,0]=4 1990 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,0,0,0,1,0|2,0,0]=4 1991 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [1,0,0,0,1,0|2,0,0]=4 1992 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [1,0,0,0,1,0|2,0,0]=4 1993 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,0,0,0,1,0|2,0,0]=4 1994 B11R1.23 CC[C@H](N)c1cccc(c1)O 271570a_203496583355_100102422761 [1,0,0,0,1,0|1,0,1]=4 1995 B11R1.23 NC(CO)c1cccc(c1)O 271570a_203496583355_100000690078 [1,0,0,0,1,0|0,0,1]=3 1996 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [1,0,0,0,1,0|1,0,1]=4 1997 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200000210301 [1,0,0,0,0,1|2,0,0]=4 1998 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000746989_100015291786 [1,0,0,0,0,1|2,0,0]=4 1999 B13R1.348 [13CH3]N(CC(=O)O)Cc1ccccc1 269956a_100000745947_200025704644 [1,0,0,0,0,1|2,0,0]=4 2000 B13R1.351 CC(=O)C(C)CCc1ccccc1 1458a_100011435293_200000210301 [1,0,0,0,0,1|2,0,0]=4 2001 B13R1.351 CC(=O)C(C)NCc1ccccc1 2230a_100015324214_100009814033 [1,0,0,0,0,1|2,0,0]=4 2002 B13R1.351 CC(=O)C(C)OCc1ccccc1 34a_100000212229_100015291786 [1,0,0,0,0,1|2,0,0]=4 2003 B13R1.351 CC(=O)C(C)OCc1ccccc1 7a_100000210790_100000179758 [1,0,0,0,0,1|2,0,0]=4 2004 B13R1.351 CC(=O)C(C)SCc1ccccc1 1458a_100000149570_200000210301 [1,0,0,0,0,1|2,0,0]=4 2005 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100000211182_100009814033 [1,0,0,0,0,1|2,0,0]=4 2006 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100009814033_100015291786 [1,0,0,0,0,1|2,0,0]=4 2007 B13R1.351 CC(=O)C(O)CCc1ccccc1 1458a_100000242596_200000210301 [1,0,0,0,0,1|2,0,0]=4 2008 B13R1.351 CC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_200000210301 [1,0,0,0,0,1|2,0,0]=4 2009 B13R1.351 CC(CCc1ccccc1)C(=O)[13CH3] 1458a_100011435293_200025704644 [1,0,0,0,0,1|2,0,0]=4 2010 B13R1.351 CC(NCc1ccccc1)C(=O)N 2230a_100015324214_100000702099 [1,0,0,0,0,1|2,0,0]=4 2011 B13R1.351 CC(NCc1ccccc1)C(=O)N 34a_100015324214_100000702099 [1,0,0,0,0,1|2,0,0]=4 2012 B13R1.351 CC(OCc1ccccc1)C(=O)N 34a_100000210790_100000702099 [1,0,0,0,0,1|2,0,0]=4 2013 B13R1.351 CC(OCc1ccccc1)C(=O)N 7a_100000210790_100000702099 [1,0,0,0,0,1|2,0,0]=4 2014 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000211182_100000702099 [1,0,0,0,0,1|2,0,0]=4 2015 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000702099_100015291786 [1,0,0,0,0,1|2,0,0]=4 2016 B13R1.351 CC(SCc1ccccc1)C(=O)[13CH3] 1458a_100000149570_200025704644 [1,0,0,0,0,1|2,0,0]=4 2017 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 2230a_100000119354_100015291786 [1,0,0,0,0,1|2,0,0]=4 2018 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 270004a_100000119354_100015611070 [1,0,0,0,0,1|2,0,0]=4 2019 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 34a_100000119354_100015291786 [1,0,0,0,0,1|2,0,0]=4 2020 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 34a_100000731257_100015291786 [1,0,0,0,0,1|2,0,0]=4 2021 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 7a_100000731257_100000211182 [1,0,0,0,0,1|2,0,0]=4 2022 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [1,0,0,0,0,1|1,0,0]=3 2023 B13R1.351 C[C@H](NCc1ccccn1)C(=O)O 269956a_100000743915_100000721315 [1,0,0,0,0,1|2,0,0]=4 2024 B13R1.351 C[C@H](NCc1cccnc1)C(=O)O 269956a_100000743915_100000733263 [1,0,0,0,0,1|2,0,0]=4 2025 B13R1.351 C[C@H](NCc1ccncc1)C(=O)O 269956a_100000743915_100015193705 [1,0,0,0,0,1|2,0,0]=4 2026 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[13CH3] 1458a_100000703211_200025704644 [1,0,0,0,0,1|2,0,0]=4 2027 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[O-] 7a_217856618621_100000211182 [1,0,0,0,0,1|1,0,1]=4 2028 B13R1.351 NC(=O)C(F)NCc1ccccc1 2230a_100015324214_100009813875 [1,0,0,0,0,1|2,0,0]=4 2029 B13R1.351 NC(=O)C(F)NCc1ccccc1 34a_100015324214_100009813875 [1,0,0,0,0,1|2,0,0]=4 2030 B13R1.351 NC(=O)C(F)OCc1ccccc1 34a_100000210790_100009813875 [1,0,0,0,0,1|2,0,0]=4 2031 B13R1.351 NC(=O)C(F)OCc1ccccc1 7a_100000210790_100009813875 [1,0,0,0,0,1|2,0,0]=4 2032 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100000211182_100009813875 [1,0,0,0,0,1|2,0,0]=4 2033 B13R1.351 NC(=O)C(F)SCc1ccccc1 62a_100009813875_100015291786 [1,0,0,0,0,1|2,0,0]=4 2034 B13R1.351 O=C([O-])C(F)NCc1ccccc1 34a_100015324214_100020610796 [1,0,0,0,0,1|1,0,1]=4 2035 B13R1.351 O=C([O-])C(F)OCc1ccccc1 34a_100000210790_100020610796 [1,0,0,0,0,1|1,0,1]=4 2036 B13R1.351 O=C([O-])C(F)SCc1ccccc1 62a_100000211182_100020610796 [1,0,0,0,0,1|1,0,1]=4 2037 B13R1.351 O=C([O-])C(F)SCc1ccccc1 62a_100020610796_100015291786 [1,0,0,0,0,1|1,0,1]=4 2038 B13R1.351 [13CH3]C(=O)C(O)CCc1ccccc1 1458a_100000242596_200025704644 [1,0,0,0,0,1|2,0,0]=4 2039 B13R1.149 C=C(C)CCNc1cccc(c1)O 34a_100000210217_100000730704 [1,0,0,0,0,1|2,0,0]=4 2040 B13R1.149 C=C(C)CCSc1cccc(c1)O 62a_100000730704_100000211634 [1,0,0,0,0,1|2,0,0]=4 2041 B13R1.149 C=C(C)CNCc1cccc(c1)O 2230a_100000743036_100000748629 [1,0,0,0,0,1|2,0,0]=4 2042 B13R1.149 C=C(C)CNCc1cccc(c1)O 34a_100000743036_100000748629 [1,0,0,0,0,1|2,0,0]=4 2043 B13R1.149 C=C(C)COCc1cccc(c1)O 34a_100000210245_100011660834 [1,0,0,0,0,1|2,0,0]=4 2044 B13R1.149 C=C(C)CSCc1cccc(c1)O 62a_100000748629_100011660834 [1,0,0,0,0,1|2,0,0]=4 2045 B13R1.149 C=C(C)CSCc1cccc(c1)O 62a_100011660834_100000211660 [1,0,0,0,0,1|2,0,0]=4 2046 B13R1.149 C=C(F)CNCc1cccc(c1)O 2230a_100000743036_100009893438 [1,0,0,0,0,1|2,0,0]=4 2047 B13R1.149 C=C(F)CNCc1cccc(c1)O 34a_100000743036_100009893438 [1,0,0,0,0,1|2,0,0]=4 2048 B13R1.149 C=C(F)COCc1cccc(c1)O 34a_200010262243_100011660834 [1,0,0,0,0,1|2,0,0]=4 2049 B13R1.149 C=C(F)CSCc1cccc(c1)O 62a_100000042424_100011660834 [1,0,0,0,0,1|2,0,0]=4 2050 B13R1.149 C=C(F)CSCc1cccc(c1)O 62a_100011660834_100000042424 [1,0,0,0,0,1|2,0,0]=4 2051 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000070787_100011713683 [1,0,0,0,0,1|2,0,0]=4 2052 B13R1.149 CC(=O)CCCc1cccc(c1)Br 1458a_100000685939_200000210301 [1,0,0,0,0,1|2,0,0]=4 2053 B13R1.149 CC(=O)CCCc1cccc(c1)F 1458a_100000070787_200000698031 [1,0,0,0,0,1|2,0,0]=4 2054 B13R1.149 CC(=O)CCOc1cccc(c1)Br 1458a_100000070787_100000183150 [1,0,0,0,0,1|2,0,0]=4 2055 B13R1.149 CC(=O)CCOc1cccc(c1)Br 1458a_100000183437_200000210301 [1,0,0,0,0,1|2,0,0]=4 2056 B13R1.149 CC(=O)CCOc1cccc(c1)Br 7a_100000210342_100000053229 [1,0,0,0,0,1|2,0,0]=4 2057 B13R1.149 CC(=O)CCOc1cccc(c1)C 1458a_100000182325_200000210301 [1,0,0,0,0,1|2,0,0]=4 2058 B13R1.149 CC(=O)CCOc1cccc(c1)C 7a_100000210337_100000053229 [1,0,0,0,0,1|2,0,0]=4 2059 B13R1.149 CC(=O)CCOc1cccc(c1)Cl 1458a_100000070787_100000181161 [1,0,0,0,0,1|2,0,0]=4 2060 B13R1.149 CC(=O)CCOc1cccc(c1)Cl 1458a_100000738917_200000210301 [1,0,0,0,0,1|2,0,0]=4 2061 B13R1.149 CC(=O)CCOc1cccc(c1)Cl 7a_100000210295_100000053229 [1,0,0,0,0,1|2,0,0]=4 2062 B13R1.149 CC(=O)CCOc1cccc(c1)F 1458a_100000070787_100000739188 [1,0,0,0,0,1|2,0,0]=4 2063 B13R1.149 CC(=O)CCOc1cccc(c1)F 1458a_100000737089_200000210301 [1,0,0,0,0,1|2,0,0]=4 2064 B13R1.149 CC(=O)CCOc1cccc(c1)F 7a_100000210426_100000053229 [1,0,0,0,0,1|2,0,0]=4 2065 B13R1.149 CC(=O)CCOc1cccc(c1)I 7a_100000211634_100000053229 [1,0,0,0,0,1|2,0,0]=4 2066 B13R1.149 CC(=O)CCSc1cc(ccn1)O 62a_100000053229_100000762945 [1,0,0,0,0,1|2,0,0]=4 2067 B13R1.149 CC(=O)CCSc1cccc(c1)Br 62a_100000053229_100000691529 [1,0,0,0,0,1|2,0,0]=4 2068 B13R1.149 CC(=O)CCSc1cccc(c1)Br 62a_100000691529_100000053229 [1,0,0,0,0,1|2,0,0]=4 2069 B13R1.149 CC(=O)CCSc1cccc(c1)C 62a_100000053229_100011215228 [1,0,0,0,0,1|2,0,0]=4 2070 B13R1.149 CC(=O)CCSc1cccc(c1)C 62a_100011215228_100000053229 [1,0,0,0,0,1|2,0,0]=4 2071 B13R1.149 CC(=O)CCSc1cccc(c1)Cl 62a_100000053229_100000699651 [1,0,0,0,0,1|2,0,0]=4 2072 B13R1.149 CC(=O)CCSc1cccc(c1)Cl 62a_100000699651_100000053229 [1,0,0,0,0,1|2,0,0]=4 2073 B13R1.149 CC(=O)CCSc1cccc(c1)F 62a_100000053229_100000685547 [1,0,0,0,0,1|2,0,0]=4 2074 B13R1.149 CC(=O)CCSc1cccc(c1)F 62a_100000685547_100000053229 [1,0,0,0,0,1|2,0,0]=4 2075 B13R1.149 CC(=O)CCSc1cccc(c1)N 62a_100000053229_100000210019 [1,0,0,0,0,1|2,0,0]=4 2076 B13R1.149 CC(=O)CCSc1cccc(c1)N 62a_100000210019_100000053229 [1,0,0,0,0,1|2,0,0]=4 2077 B13R1.149 CC(=O)CCSc1cccc(c1)O 62a_100000053229_100000211634 [1,0,0,0,0,1|1,0,0]=3 2078 B13R1.149 CC(=O)CCSc1cccc(c1)[S] 62a_100000053229_114929384022 [1,0,0,0,0,1|1,1,0]=4 2079 B13R1.149 CC(=O)CCSc1cccc(c1)[S] 62a_114929384022_100000053229 [1,0,0,0,0,1|1,1,0]=4 2080 B13R1.149 CC(=O)CCSc1cncc(c1)O 62a_100000053229_100000754920 [1,0,0,0,0,1|2,0,0]=4 2081 B13R1.149 CC(=O)CCSc1cncc(c1)O 62a_100000754920_100000053229 [1,0,0,0,0,1|2,0,0]=4 2082 B13R1.149 CC(=O)COCc1cccc(c1)Br 34a_100000211253_100000698116 [1,0,0,0,0,1|2,0,0]=4 2083 B13R1.149 CC(=O)COCc1cccc(c1)C 34a_100000211253_100000211840 [1,0,0,0,0,1|2,0,0]=4 2084 B13R1.149 CC(=O)COCc1cccc(c1)Cl 34a_100000211253_100000187163 [1,0,0,0,0,1|2,0,0]=4 2085 B13R1.149 CC(=O)COCc1cccc(c1)F 34a_100000211253_100000187166 [1,0,0,0,0,1|2,0,0]=4 2086 B13R1.149 CC(=O)COCc1cccc(c1)I 34a_100000211253_100011218688 [1,0,0,0,0,1|2,0,0]=4 2087 B13R1.149 CC(=O)COCc1cccc(c1)O 34a_100000211253_100011660834 [1,0,0,0,0,1|1,0,0]=3 2088 B13R1.149 CC(=O)CSCc1cccc(c1)Cl 1458a_100000150269_200000210301 [1,0,0,0,0,1|2,0,0]=4 2089 B13R1.149 CC(=O)NCCc1cccc(c1)Br 11a_100011207229_100015343762 [1,0,0,0,0,1|2,0,0]=4 2090 B13R1.149 CC(=O)NCCc1cccc(c1)Br 1626a_100011207229_100015343762 [1,0,0,0,0,1|2,0,0]=4 2091 B13R1.149 CC(=O)NCCc1cccc(c1)Br 240690a_100011207229_100015343762 [1,0,0,0,0,1|2,0,0]=4 2092 B13R1.149 CC(=O)NCCc1cccc(c1)Br 527a_100011207229_100103153847 [1,0,0,0,0,1|2,0,0]=4 2093 B13R1.149 CC(=O)NCCc1cccc(c1)C 11a_100000749837_100015343762 [1,0,0,0,0,1|2,0,0]=4 2094 B13R1.149 CC(=O)NCCc1cccc(c1)C 1626a_100000749837_100015343762 [1,0,0,0,0,1|2,0,0]=4 2095 B13R1.149 CC(=O)NCCc1cccc(c1)C 240690a_100000749837_100015343762 [1,0,0,0,0,1|2,0,0]=4 2096 B13R1.149 CC(=O)NCCc1cccc(c1)C 527a_100000749837_100103153847 [1,0,0,0,0,1|2,0,0]=4 2097 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 11a_100000185263_100015343762 [1,0,0,0,0,1|2,0,0]=4 2098 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 1626a_100000185263_100015343762 [1,0,0,0,0,1|2,0,0]=4 2099 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 240690a_100000185263_100015343762 [1,0,0,0,0,1|2,0,0]=4 2100 B13R1.149 CC(=O)NCCc1cccc(c1)Cl 527a_100000185263_100103153847 [1,0,0,0,0,1|2,0,0]=4 2101 B13R1.149 CC(=O)NCCc1cccc(c1)F 11a_100000205154_100015343762 [1,0,0,0,0,1|2,0,0]=4 2102 B13R1.149 CC(=O)NCCc1cccc(c1)F 1626a_100000205154_100015343762 [1,0,0,0,0,1|2,0,0]=4 2103 B13R1.149 CC(=O)NCCc1cccc(c1)F 240690a_100000205154_100015343762 [1,0,0,0,0,1|2,0,0]=4 2104 B13R1.149 CC(=O)NCCc1cccc(c1)F 527a_100000205154_100103153847 [1,0,0,0,0,1|2,0,0]=4 2105 B13R1.149 CC(=O)NCCc1cccc(c1)O 240690a_100000747277_100015343762 [1,0,0,0,0,1|1,0,0]=3 2106 B13R1.149 CC(=O)NCCc1cccc(c1)O 527a_100000747277_100103153847 [1,0,0,0,0,1|1,0,0]=3 2107 B13R1.149 CC(=O)NNCc1cccc(c1)O 22a_100000008902_100000070787 [1,0,0,0,0,1|2,0,0]=4 2108 B13R1.149 CC(=O)OCNc1cccc(c1)O 34a_100000210217_100009813279 [1,0,0,0,0,1|2,0,0]=4 2109 B13R1.149 CC(=O)OCSc1cccc(c1)O 62a_100000076356_100000211634 [1,0,0,0,0,1|2,0,0]=4 2110 B13R1.149 CC(O)CCNc1cccc(c1)O 34a_100000210217_100012276601 [1,0,0,0,0,1|1,0,1]=4 2111 B13R1.149 CC(O)CCSc1cccc(c1)O 62a_100012276601_100000211634 [1,0,0,0,0,1|1,0,1]=4 2112 B13R1.149 CC(O)CNCc1cccc(c1)O 207a_100000210904_100000188321 [1,0,0,0,0,1|1,0,1]=4 2113 B13R1.149 CC(O)CNCc1cccc(c1)O 2230a_100000210904_100011660834 [1,0,0,0,0,1|1,0,1]=4 2114 B13R1.149 CC(O)CNCc1cccc(c1)O 2230a_100000743036_100011218427 [1,0,0,0,0,1|1,0,1]=4 2115 B13R1.149 CC(O)CNCc1cccc(c1)O 270004a_100000210904_100000188321 [1,0,0,0,0,1|1,0,1]=4 2116 B13R1.149 CC(O)CNCc1cccc(c1)O 34a_100000210904_100011660834 [1,0,0,0,0,1|1,0,1]=4 2117 B13R1.149 CC(O)CNCc1cccc(c1)O 34a_100000743036_100011218427 [1,0,0,0,0,1|1,0,1]=4 2118 B13R1.149 CC(O)CSCc1cccc(c1)O 62a_100011218427_100011660834 [1,0,0,0,0,1|1,0,1]=4 2119 B13R1.149 CC(O)CSCc1cccc(c1)O 62a_100011660834_100011218427 [1,0,0,0,0,1|1,0,1]=4 2120 B13R1.149 C[C@@H](O)CNCc1cccc(c1)O 2230a_100000743036_100009817552 [1,0,0,0,0,1|1,0,1]=4 2121 B13R1.149 C[C@@H](O)CNCc1cccc(c1)O 34a_100000743036_100009817552 [1,0,0,0,0,1|1,0,1]=4 2122 B13R1.149 C[C@@H](O)CSCc1cccc(c1)O 62a_100009817552_100011660834 [1,0,0,0,0,1|1,0,1]=4 2123 B13R1.149 C[C@@H](O)CSCc1cccc(c1)O 62a_100011660834_100009817552 [1,0,0,0,0,1|1,0,1]=4 2124 B13R1.149 Cc1cc(ccn1)CNCC(=O)O 269956a_100016091260_200020672517 [1,0,0,0,0,1|2,0,0]=4 2125 B13R1.149 Cc1cccc(c1)CNCC(=O)N 2230a_100000185548_100000747473 [1,0,0,0,0,1|2,0,0]=4 2126 B13R1.149 Cc1cccc(c1)CNCC(=O)N 2230a_100000711301_100000211840 [1,0,0,0,0,1|2,0,0]=4 2127 B13R1.149 Cc1cccc(c1)CNCC(=O)N 34a_100000185548_100000187820 [1,0,0,0,0,1|2,0,0]=4 2128 B13R1.149 Cc1cccc(c1)CNCC(=O)O 269956a_100016091260_100000005736 [1,0,0,0,0,1|1,0,0]=3 2129 B13R1.149 Cc1cccc(c1)CNCC(=O)[O-] 34a_100000185548_100020667443 [1,0,0,0,0,1|1,0,1]=4 2130 B13R1.149 Cc1cccc(c1)COCC(=O)N 34a_100011217746_100000187820 [1,0,0,0,0,1|2,0,0]=4 2131 B13R1.149 Cc1cccc(c1)COCC(=O)N 7a_100011217746_100000187820 [1,0,0,0,0,1|2,0,0]=4 2132 B13R1.149 Cc1cccc(c1)COCC(=O)[O-] 34a_100011217746_100020667443 [1,0,0,0,0,1|1,0,1]=4 2133 B13R1.149 Cc1cccc(c1)CSCC(=O)N 62a_100000211840_100000747473 [1,0,0,0,0,1|2,0,0]=4 2134 B13R1.149 Cc1cccc(c1)CSCC(=O)N 62a_100000747473_100000211840 [1,0,0,0,0,1|2,0,0]=4 2135 B13R1.149 Cc1cccc(c1)CSCC(=O)[O-] 62a_100000211840_100020667443 [1,0,0,0,0,1|1,0,1]=4 2136 B13R1.149 Cc1cccc(c1)CSCC(=O)[O-] 62a_100020667443_100000211840 [1,0,0,0,0,1|1,0,1]=4 2137 B13R1.149 Cc1cccc(c1)NCCC(=O)N 2230a_100000188690_100000744528 [1,0,0,0,0,1|2,0,0]=4 2138 B13R1.149 Cc1cccc(c1)NCCC(=O)N 34a_100000188690_100000731001 [1,0,0,0,0,1|2,0,0]=4 2139 B13R1.149 Cc1cccc(c1)OCCC(=O)N 34a_100000210337_100000731001 [1,0,0,0,0,1|2,0,0]=4 2140 B13R1.149 Cc1cccc(c1)OCCC(=O)N 7a_100000210337_100000744528 [1,0,0,0,0,1|2,0,0]=4 2141 B13R1.149 Cc1cccc(c1)OCCC(=O)[13CH3] 1458a_100000182325_200025704644 [1,0,0,0,0,1|2,0,0]=4 2142 B13R1.149 Cc1cccc(c1)SCCC(=O)N 62a_100000744528_100011215228 [1,0,0,0,0,1|2,0,0]=4 2143 B13R1.149 Cc1cccc(c1)SCCC(=O)N 62a_100011215228_100000744528 [1,0,0,0,0,1|2,0,0]=4 2144 B13R1.149 Cc1cccc(n1)CNCC(=O)O 269956a_100016091260_100000757606 [1,0,0,0,0,1|2,0,0]=4 2145 B13R1.149 Cc1ccnc(c1)CNCC(=O)O 269956a_100016091260_100000718516 [1,0,0,0,0,1|2,0,0]=4 2146 B13R1.149 Cc1cncc(c1)CNCC(=O)O 269956a_100016091260_100016988603 [1,0,0,0,0,1|2,0,0]=4 2147 B13R1.149 NC(=O)CCNc1cccc(c1)Br 34a_100000210019_100000731001 [1,0,0,0,0,1|2,0,0]=4 2148 B13R1.149 NC(=O)CCNc1cccc(c1)Cl 34a_100000185859_100000731001 [1,0,0,0,0,1|2,0,0]=4 2149 B13R1.149 NC(=O)CCNc1cccc(c1)F 34a_100000210047_100000731001 [1,0,0,0,0,1|2,0,0]=4 2150 B13R1.149 NC(=O)CCNc1cccc(c1)I 34a_100000211102_100000731001 [1,0,0,0,0,1|2,0,0]=4 2151 B13R1.149 NC(=O)CCNc1cccc(c1)O 34a_100000210217_100000731001 [1,0,0,0,0,1|1,0,0]=3 2152 B13R1.149 NC(=O)CCOc1cccc(c1)Br 34a_100000210342_100000731001 [1,0,0,0,0,1|2,0,0]=4 2153 B13R1.149 NC(=O)CCOc1cccc(c1)Br 7a_100000210342_100000744528 [1,0,0,0,0,1|2,0,0]=4 2154 B13R1.149 NC(=O)CCOc1cccc(c1)Cl 34a_100000210295_100000731001 [1,0,0,0,0,1|2,0,0]=4 2155 B13R1.149 NC(=O)CCOc1cccc(c1)Cl 7a_100000210295_100000744528 [1,0,0,0,0,1|2,0,0]=4 2156 B13R1.149 NC(=O)CCOc1cccc(c1)F 34a_100000210426_100000731001 [1,0,0,0,0,1|2,0,0]=4 2157 B13R1.149 NC(=O)CCOc1cccc(c1)F 7a_100000210426_100000744528 [1,0,0,0,0,1|2,0,0]=4 2158 B13R1.149 NC(=O)CCOc1cccc(c1)I 34a_100000211634_100000731001 [1,0,0,0,0,1|2,0,0]=4 2159 B13R1.149 NC(=O)CCOc1cccc(c1)I 7a_100000211634_100000744528 [1,0,0,0,0,1|2,0,0]=4 2160 B13R1.149 NC(=O)CCOc1cccc(c1)N 34a_100000210217_100000731001 [1,0,0,0,0,1|2,0,0]=4 2161 B13R1.149 NC(=O)CCSc1cc(ccn1)O 62a_100000744528_100000762945 [1,0,0,0,0,1|2,0,0]=4 2162 B13R1.149 NC(=O)CCSc1cccc(c1)Br 62a_100000691529_100000744528 [1,0,0,0,0,1|2,0,0]=4 2163 B13R1.149 NC(=O)CCSc1cccc(c1)Br 62a_100000744528_100000691529 [1,0,0,0,0,1|2,0,0]=4 2164 B13R1.149 NC(=O)CCSc1cccc(c1)Cl 62a_100000699651_100000744528 [1,0,0,0,0,1|2,0,0]=4 2165 B13R1.149 NC(=O)CCSc1cccc(c1)Cl 62a_100000744528_100000699651 [1,0,0,0,0,1|2,0,0]=4 2166 B13R1.149 NC(=O)CCSc1cccc(c1)F 62a_100000685547_100000744528 [1,0,0,0,0,1|2,0,0]=4 2167 B13R1.149 NC(=O)CCSc1cccc(c1)F 62a_100000744528_100000685547 [1,0,0,0,0,1|2,0,0]=4 2168 B13R1.149 NC(=O)CCSc1cccc(c1)N 62a_100000210019_100000744528 [1,0,0,0,0,1|2,0,0]=4 2169 B13R1.149 NC(=O)CCSc1cccc(c1)N 62a_100000744528_100000210019 [1,0,0,0,0,1|2,0,0]=4 2170 B13R1.149 NC(=O)CCSc1cccc(c1)O 62a_100000744528_100000211634 [1,0,0,0,0,1|1,0,0]=3 2171 B13R1.149 NC(=O)CCSc1cccc(c1)[S] 62a_100000744528_114929384022 [1,0,0,0,0,1|1,1,0]=4 2172 B13R1.149 NC(=O)CCSc1cccc(c1)[S] 62a_114929384022_100000744528 [1,0,0,0,0,1|1,1,0]=4 2173 B13R1.149 NC(=O)CCSc1cncc(c1)O 62a_100000744528_100000754920 [1,0,0,0,0,1|2,0,0]=4 2174 B13R1.149 NC(=O)CCSc1cncc(c1)O 62a_100000754920_100000744528 [1,0,0,0,0,1|2,0,0]=4 2175 B13R1.149 NC(=O)CNCc1cccc(c1)Br 2230a_100000174977_100000747473 [1,0,0,0,0,1|2,0,0]=4 2176 B13R1.149 NC(=O)CNCc1cccc(c1)Br 2230a_100000711301_100000698116 [1,0,0,0,0,1|2,0,0]=4 2177 B13R1.149 NC(=O)CNCc1cccc(c1)Br 34a_100000174977_100000187820 [1,0,0,0,0,1|2,0,0]=4 2178 B13R1.149 NC(=O)CNCc1cccc(c1)Cl 2230a_100000174878_100000747473 [1,0,0,0,0,1|2,0,0]=4 2179 B13R1.149 NC(=O)CNCc1cccc(c1)Cl 2230a_100000711301_100000181238 [1,0,0,0,0,1|2,0,0]=4 2180 B13R1.149 NC(=O)CNCc1cccc(c1)Cl 34a_100000174878_100000187820 [1,0,0,0,0,1|2,0,0]=4 2181 B13R1.149 NC(=O)CNCc1cccc(c1)F 2230a_100000174948_100000747473 [1,0,0,0,0,1|2,0,0]=4 2182 B13R1.149 NC(=O)CNCc1cccc(c1)F 2230a_100000711301_100000230114 [1,0,0,0,0,1|2,0,0]=4 2183 B13R1.149 NC(=O)CNCc1cccc(c1)F 34a_100000174948_100000187820 [1,0,0,0,0,1|2,0,0]=4 2184 B13R1.149 NC(=O)CNCc1cccc(c1)I 2230a_100000106179_100000747473 [1,0,0,0,0,1|2,0,0]=4 2185 B13R1.149 NC(=O)CNCc1cccc(c1)I 2230a_100000711301_100011218688 [1,0,0,0,0,1|2,0,0]=4 2186 B13R1.149 NC(=O)CNCc1cccc(c1)I 34a_100000106179_100000187820 [1,0,0,0,0,1|2,0,0]=4 2187 B13R1.149 NC(=O)CNCc1cccc(c1)O 2230a_100000711301_100011660834 [1,0,0,0,0,1|1,0,0]=3 2188 B13R1.149 NC(=O)CNCc1cccc(c1)O 2230a_100000743036_100000747473 [1,0,0,0,0,1|1,0,0]=3 2189 B13R1.149 NC(=O)CNCc1cccc(c1)O 34a_100000743036_100000187820 [1,0,0,0,0,1|1,0,0]=3 2190 B13R1.149 NC(=O)COCc1cccc(c1)Br 34a_100000687537_100000187820 [1,0,0,0,0,1|2,0,0]=4 2191 B13R1.149 NC(=O)COCc1cccc(c1)Br 7a_100000687537_100000187820 [1,0,0,0,0,1|2,0,0]=4 2192 B13R1.149 NC(=O)COCc1cccc(c1)Cl 34a_100000241301_100000187820 [1,0,0,0,0,1|2,0,0]=4 2193 B13R1.149 NC(=O)COCc1cccc(c1)Cl 7a_100000241301_100000187820 [1,0,0,0,0,1|2,0,0]=4 2194 B13R1.149 NC(=O)COCc1cccc(c1)F 34a_100000210976_100000187820 [1,0,0,0,0,1|2,0,0]=4 2195 B13R1.149 NC(=O)COCc1cccc(c1)F 7a_100000210976_100000187820 [1,0,0,0,0,1|2,0,0]=4 2196 B13R1.149 NC(=O)COCc1cccc(c1)I 34a_100011215336_100000187820 [1,0,0,0,0,1|2,0,0]=4 2197 B13R1.149 NC(=O)COCc1cccc(c1)I 7a_100011215336_100000187820 [1,0,0,0,0,1|2,0,0]=4 2198 B13R1.149 NC(=O)COCc1cccc(c1)N 34a_100000211919_100000187820 [1,0,0,0,0,1|2,0,0]=4 2199 B13R1.149 NC(=O)CSCc1cccc(c1)Br 62a_100000211773_100000747473 [1,0,0,0,0,1|2,0,0]=4 2200 B13R1.149 NC(=O)CSCc1cccc(c1)Br 62a_100000747473_100000211773 [1,0,0,0,0,1|2,0,0]=4 2201 B13R1.149 NC(=O)CSCc1cccc(c1)Cl 62a_100000187163_100000747473 [1,0,0,0,0,1|2,0,0]=4 2202 B13R1.149 NC(=O)CSCc1cccc(c1)Cl 62a_100000747473_100000187163 [1,0,0,0,0,1|2,0,0]=4 2203 B13R1.149 NC(=O)CSCc1cccc(c1)F 62a_100000230114_100000747473 [1,0,0,0,0,1|2,0,0]=4 2204 B13R1.149 NC(=O)CSCc1cccc(c1)F 62a_100000747473_100000230114 [1,0,0,0,0,1|2,0,0]=4 2205 B13R1.149 NC(=O)CSCc1cccc(c1)I 62a_100000747473_100011218688 [1,0,0,0,0,1|2,0,0]=4 2206 B13R1.149 NC(=O)CSCc1cccc(c1)I 62a_100011218688_100000747473 [1,0,0,0,0,1|2,0,0]=4 2207 B13R1.149 NC(=O)CSCc1cccc(c1)O 62a_100000747473_100011660834 [1,0,0,0,0,1|1,0,0]=3 2208 B13R1.149 NC(=O)CSCc1cccc(c1)O 62a_100011660834_100000747473 [1,0,0,0,0,1|1,0,0]=3 2209 B13R1.149 Nc1cccc(c1)COCC(=O)[O-] 34a_100000211919_100020667443 [1,0,0,0,0,1|1,0,1]=4 2210 B13R1.149 O=C(O)CNCc1cc(ccn1)Br 269956a_100016091260_100010173614 [1,0,0,0,0,1|2,0,0]=4 2211 B13R1.149 O=C(O)CNCc1cc(ccn1)Cl 269956a_100016091260_100016988179 [1,0,0,0,0,1|2,0,0]=4 2212 B13R1.149 O=C(O)CNCc1cccc(c1)Br 269956a_100016091260_100000211773 [1,0,0,0,0,1|1,0,0]=3 2213 B13R1.149 O=C(O)CNCc1cccc(c1)Cl 269956a_100016091260_100000187163 [1,0,0,0,0,1|1,0,0]=3 2214 B13R1.149 O=C(O)CNCc1cccc(c1)F 269956a_100016091260_100000230114 [1,0,0,0,0,1|1,0,0]=3 2215 B13R1.149 O=C(O)CNCc1cccc(c1)I 269956a_100016091260_100011218688 [1,0,0,0,0,1|1,0,0]=3 2216 B13R1.149 O=C(O)CNCc1cccc(c1)O 269956a_100016091260_100011660834 [1,0,0,0,0,1|0,0,0]=2 2217 B13R1.149 O=C(O)CNCc1cccc(n1)Br 269956a_100016091260_100009889011 [1,0,0,0,0,1|2,0,0]=4 2218 B13R1.149 O=C(O)CNCc1cccc(n1)Cl 269956a_100016091260_100000086093 [1,0,0,0,0,1|2,0,0]=4 2219 B13R1.149 O=C(O)CNCc1cccc(n1)F 269956a_100016091260_100009819644 [1,0,0,0,0,1|2,0,0]=4 2220 B13R1.149 O=C(O)CNCc1ccnc(c1)Br 269956a_100016091260_100010254460 [1,0,0,0,0,1|2,0,0]=4 2221 B13R1.149 O=C(O)CNCc1ccnc(c1)Cl 269956a_100016091260_100000764220 [1,0,0,0,0,1|2,0,0]=4 2222 B13R1.149 O=C(O)CNCc1cncc(c1)Br 269956a_100016091260_100000738771 [1,0,0,0,0,1|2,0,0]=4 2223 B13R1.149 O=C(O)CNCc1cncc(c1)Cl 269956a_100016091260_100016992070 [1,0,0,0,0,1|2,0,0]=4 2224 B13R1.149 O=C(O)CNCc1cncc(c1)F 269956a_100016091260_100000725299 [1,0,0,0,0,1|2,0,0]=4 2225 B13R1.149 O=C([O-])CNCc1cccc(c1)Br 34a_100000174977_100020667443 [1,0,0,0,0,1|1,0,1]=4 2226 B13R1.149 O=C([O-])CNCc1cccc(c1)Cl 34a_100000174878_100020667443 [1,0,0,0,0,1|1,0,1]=4 2227 B13R1.149 O=C([O-])CNCc1cccc(c1)F 34a_100000174948_100020667443 [1,0,0,0,0,1|1,0,1]=4 2228 B13R1.149 O=C([O-])CNCc1cccc(c1)I 34a_100000106179_100020667443 [1,0,0,0,0,1|1,0,1]=4 2229 B13R1.149 O=C([O-])CNCc1cccc(c1)O 34a_100000743036_100020667443 [1,0,0,0,0,1|0,0,1]=3 2230 B13R1.149 O=C([O-])COCc1cccc(c1)Br 34a_100000687537_100020667443 [1,0,0,0,0,1|1,0,1]=4 2231 B13R1.149 O=C([O-])COCc1cccc(c1)Cl 34a_100000241301_100020667443 [1,0,0,0,0,1|1,0,1]=4 2232 B13R1.149 O=C([O-])COCc1cccc(c1)F 34a_100000210976_100020667443 [1,0,0,0,0,1|1,0,1]=4 2233 B13R1.149 O=C([O-])COCc1cccc(c1)I 34a_100011215336_100020667443 [1,0,0,0,0,1|1,0,1]=4 2234 B13R1.149 O=C([O-])CSCc1cccc(c1)Br 62a_100000211773_100020667443 [1,0,0,0,0,1|1,0,1]=4 2235 B13R1.149 O=C([O-])CSCc1cccc(c1)Br 62a_100020667443_100000211773 [1,0,0,0,0,1|1,0,1]=4 2236 B13R1.149 O=C([O-])CSCc1cccc(c1)Cl 62a_100000187163_100020667443 [1,0,0,0,0,1|1,0,1]=4 2237 B13R1.149 O=C([O-])CSCc1cccc(c1)Cl 62a_100020667443_100000187163 [1,0,0,0,0,1|1,0,1]=4 2238 B13R1.149 O=C([O-])CSCc1cccc(c1)F 62a_100000230114_100020667443 [1,0,0,0,0,1|1,0,1]=4 2239 B13R1.149 O=C([O-])CSCc1cccc(c1)F 62a_100020667443_100000230114 [1,0,0,0,0,1|1,0,1]=4 2240 B13R1.149 O=C([O-])CSCc1cccc(c1)I 62a_100011218688_100020667443 [1,0,0,0,0,1|1,0,1]=4 2241 B13R1.149 O=C([O-])CSCc1cccc(c1)I 62a_100020667443_100011218688 [1,0,0,0,0,1|1,0,1]=4 2242 B13R1.149 O=C([O-])CSCc1cccc(c1)O 62a_100011660834_100020667443 [1,0,0,0,0,1|0,0,1]=3 2243 B13R1.149 O=C([O-])CSCc1cccc(c1)O 62a_100020667443_100011660834 [1,0,0,0,0,1|0,0,1]=3 2244 B13R1.149 O=[N+]([O-])CNCc1cccc(c1)O 34a_100000743036_100000761209 [1,0,0,0,0,1|1,0,1]=4 2245 B13R1.149 O=[N+]([O-])CSCc1cccc(c1)O 62a_100011660834_100000761209 [1,0,0,0,0,1|1,0,1]=4 2246 B13R1.149 [13CH3]C(=O)CCCc1cccc(c1)Br 1458a_100000685939_200025704644 [1,0,0,0,0,1|2,0,0]=4 2247 B13R1.149 [13CH3]C(=O)CCOc1cccc(c1)Br 1458a_100000183437_200025704644 [1,0,0,0,0,1|2,0,0]=4 2248 B13R1.149 [13CH3]C(=O)CCOc1cccc(c1)Cl 1458a_100000738917_200025704644 [1,0,0,0,0,1|2,0,0]=4 2249 B13R1.149 [13CH3]C(=O)CCOc1cccc(c1)F 1458a_100000737089_200025704644 [1,0,0,0,0,1|2,0,0]=4 2250 B13R1.149 [13CH3]C(=O)CSCc1cccc(c1)Cl 1458a_100000150269_200025704644 [1,0,0,0,0,1|2,0,0]=4 2251 B15R1.121 CC(=O)C(C)COCc1cccc(c1)O 34a_100000032740_100011660834 [0,0,0,0,0,2|2,0,0]=4 2252 B15R1.121 CC(=O)C(C)COCc1cccc(c1)O 7a_100000032740_100000084143 [0,0,0,0,0,2|2,0,0]=4 2253 B15R1.121 CC(=O)C(C)NCCc1cccc(c1)O 2230a_100000747277_100009814033 [0,0,0,0,0,2|2,0,0]=4 2254 B15R1.121 CC(CNCc1cccc(c1)Br)C(=O)O 269956a_100000749485_100000211773 [0,0,0,0,0,2|2,0,0]=4 2255 B15R1.121 CC(CNCc1cccc(c1)Cl)C(=O)O 269956a_100000749485_100000187163 [0,0,0,0,0,2|2,0,0]=4 2256 B15R1.121 CC(CNCc1cccc(c1)F)C(=O)O 269956a_100000749485_100000230114 [0,0,0,0,0,2|2,0,0]=4 2257 B15R1.121 CC(CNCc1cccc(c1)I)C(=O)O 269956a_100000749485_100011218688 [0,0,0,0,0,2|2,0,0]=4 2258 B15R1.121 CC(CNCc1cccc(c1)O)C(=O)O 269956a_100000749485_100011660834 [0,0,0,0,0,2|1,0,0]=3 2259 B15R1.121 CC(NCCc1cccc(c1)O)C(=O)N 2230a_100000747277_100000702099 [0,0,0,0,0,2|2,0,0]=4 2260 B15R1.121 CC(NCCc1cccc(c1)O)C(=O)N 34a_100000747277_100000702099 [0,0,0,0,0,2|2,0,0]=4 2261 B15R1.121 C[C@H](NCCc1cccc(c1)Br)C(=O)O 269956a_100000743915_100011740638 [0,0,0,0,0,2|2,0,0]=4 2262 B15R1.121 C[C@H](NCCc1cccc(c1)Cl)C(=O)O 269956a_100000743915_100011713710 [0,0,0,0,0,2|2,0,0]=4 2263 B15R1.121 C[C@H](NCCc1cccc(c1)F)C(=O)O 269956a_100000743915_100011217235 [0,0,0,0,0,2|2,0,0]=4 2264 B15R1.121 Cc1cccc(c1)CCN[C@@H](C)C(=O)O 269956a_100000743915_100011713685 [0,0,0,0,0,2|2,0,0]=4 2265 B15R1.121 Cc1cccc(c1)CNCC(C)C(=O)O 269956a_100000749485_100000005736 [0,0,0,0,0,2|2,0,0]=4 2266 B15R1.121 Cc1cccc(c1)CNCC(F)C(=O)O 269956a_100000084737_100000005736 [0,0,0,0,0,2|2,0,0]=4 2267 B15R1.121 Cc1cccc(c1)COC[C@H](N)C(=O)N 34a_100000729942_100000211840 [0,0,0,0,0,2|2,0,0]=4 2268 B15R1.121 NC(=O)C(F)NCCc1cccc(c1)O 2230a_100000747277_100009813875 [0,0,0,0,0,2|2,0,0]=4 2269 B15R1.121 NC(=O)C(F)NCCc1cccc(c1)O 34a_100000747277_100009813875 [0,0,0,0,0,2|2,0,0]=4 2270 B15R1.121 NC(=O)[C@@H](N)COCc1cccc(c1)Br 34a_100000729942_100000698116 [0,0,0,0,0,2|2,0,0]=4 2271 B15R1.121 NC(=O)[C@@H](N)COCc1cccc(c1)Cl 34a_100000729942_100000187163 [0,0,0,0,0,2|2,0,0]=4 2272 B15R1.121 NC(=O)[C@@H](N)COCc1cccc(c1)F 34a_100000729942_100000187166 [0,0,0,0,0,2|2,0,0]=4 2273 B15R1.121 NC(=O)[C@@H](N)COCc1cccc(c1)I 34a_100000729942_100011218688 [0,0,0,0,0,2|2,0,0]=4 2274 B15R1.121 NC(=O)[C@@H](N)COCc1cccc(c1)O 34a_100000729942_100011660834 [0,0,0,0,0,2|1,0,0]=3 2275 B15R1.121 O=C(O)C(F)CNCc1cccc(c1)Br 269956a_100000084737_100000211773 [0,0,0,0,0,2|2,0,0]=4 2276 B15R1.121 O=C(O)C(F)CNCc1cccc(c1)Cl 269956a_100000084737_100000187163 [0,0,0,0,0,2|2,0,0]=4 2277 B15R1.121 O=C(O)C(F)CNCc1cccc(c1)F 269956a_100000084737_100000230114 [0,0,0,0,0,2|2,0,0]=4 2278 B15R1.121 O=C(O)C(F)CNCc1cccc(c1)I 269956a_100000084737_100011218688 [0,0,0,0,0,2|2,0,0]=4 2279 B15R1.121 O=C(O)C(F)CNCc1cccc(c1)O 269956a_100000084737_100011660834 [0,0,0,0,0,2|1,0,0]=3 2280 B15R1.121 O=C([O-])C(F)NCCc1cccc(c1)O 34a_100000747277_100020610796 [0,0,0,0,0,2|1,0,1]=4 2281 B15R1.8263 CC(=O)OC(C)SCc1cccc(c1)O 62a_100009818208_100011660834 [0,0,0,0,0,2|2,0,0]=4 2282 B15R1.8263 CC(=O)OC(C)SCc1cccc(c1)O 62a_100011660834_100009818208 [0,0,0,0,0,2|2,0,0]=4