0 B11R1.21 C=C(C)c1c[nH]c(=O)c(c1)O 271570a_100000694244_100009814561 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.21 C=C(C)c1cc(c(cn1)C)O 271570a_100000694244_100000704368 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.21 C=C(C)c1cc(c(cn1)F)O 271570a_100000694244_100009854642 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.21 C=C(C)c1cc(c(cn1)O)C 271570a_100000694244_100000692680 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.21 C=C(C)c1cc(c(cn1)O)N 271570a_100000694244_100009819941 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.21 C=C(C)c1ccc(c(c1)Br)Br 271570a_100000694244_100012356285 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.21 C=C(C)c1ccc(c(c1)Br)C 271570a_100000694244_100011847877 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.21 C=C(C)c1ccc(c(c1)Br)Cl 271570a_100000694244_100012353702 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.21 C=C(C)c1ccc(c(c1)Br)F 271570a_100000694244_100012047266 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.21 C=C(C)c1ccc(c(c1)Br)N 271570a_100000694244_100000750455 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.21 C=C(C)c1ccc(c(c1)Br)O 271570a_100000694244_100012361655 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.21 C=C(C)c1ccc(c(c1)C)Br 271570a_100000694244_100009813585 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.21 C=C(C)c1ccc(c(c1)C)C 271570a_100000694244_100011215607 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.21 C=C(C)c1ccc(c(c1)C)Cl 271570a_100000694244_100000049509 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.21 C=C(C)c1ccc(c(c1)C)F 271570a_100000694244_100011218330 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.21 C=C(C)c1ccc(c(c1)C)N 271570a_100000694244_100000211769 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.21 C=C(C)c1ccc(c(c1)Cl)Br 271570a_100000694244_100012047281 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.21 C=C(C)c1ccc(c(c1)Cl)C 271570a_100000694244_100011216363 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.21 C=C(C)c1ccc(c(c1)Cl)Cl 271570a_100000694244_100011214914 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.21 C=C(C)c1ccc(c(c1)Cl)F 271570a_100000694244_100011215976 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.21 C=C(C)c1ccc(c(c1)Cl)N 271570a_100000694244_100011218065 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.21 C=C(C)c1ccc(c(c1)Cl)O 271570a_100000694244_100012360047 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.21 C=C(C)c1ccc(c(c1)F)Br 271570a_100000694244_100000685389 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.21 C=C(C)c1ccc(c(c1)F)C 271570a_100000694244_100000720648 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.21 C=C(C)c1ccc(c(c1)F)Cl 271570a_100000694244_100011216805 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.21 C=C(C)c1ccc(c(c1)F)F 271570a_100000694244_100000750028 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.21 C=C(C)c1ccc(c(c1)F)N 271570a_100000694244_100011215594 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.21 C=C(C)c1ccc(c(c1)F)O 271570a_100000694244_100000185481 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.21 C=C(C)c1ccc(c(c1)N)Br 271570a_100000694244_100000750456 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.21 C=C(C)c1ccc(c(c1)N)C 271570a_100000694244_100000761890 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.21 C=C(C)c1ccc(c(c1)N)Cl 271570a_100000694244_200000761891 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.21 C=C(C)c1ccc(c(c1)N)F 271570a_100000694244_100000740924 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.21 C=C(C)c1ccc(c(c1)N)N 271570a_100000694244_100000741789 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [0,0,0,0,0,0|3,0,0]=3 35 B11R1.21 C=C(C)c1ccc(c(c1)O)Br 271570a_100000694244_100012356990 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.21 C=C(C)c1ccc(c(c1)O)Cl 271570a_100000694244_100011356854 [0,0,0,0,0,0|3,0,0]=3 38 B11R1.21 C=C(C)c1ccc(c(c1)O)F 271570a_100000694244_100000686035 [0,0,0,0,0,0|3,0,0]=3 39 B11R1.21 C=C(C)c1ccc(c(c1)O)N 271570a_100000694244_100000739049 [0,0,0,0,0,0|3,0,0]=3 40 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [0,0,0,0,0,0|2,0,0]=2 41 B11R1.21 C=C(C)c1ccc(c(n1)Br)O 271570a_100000694244_100000725334 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.21 C=C(C)c1ccc(c(n1)C)O 271570a_100000694244_100010233687 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.21 C=C(C)c1ccc(c(n1)Cl)O 271570a_100000694244_100000721234 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.21 C=C(C)c1ccc(c(n1)F)O 271570a_100000694244_100009819667 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.21 C=C(C)c1ccc(c(n1)N)O 271570a_100000694244_100000685527 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.21 C=C(C)c1ccc(c(n1)O)F 271570a_100000694244_100010729010 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.21 C=C(C)c1ccc(c(n1)O)N 271570a_100000694244_100000718904 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.21 C=C(C)c1cnc(c(c1)C)O 271570a_100000694244_100000685391 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.21 C=C(C)c1cnc(c(c1)Cl)O 271570a_100000694244_100010238531 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.21 C=C(C)c1cnc(c(c1)N)O 271570a_100000694244_100000743729 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.21 C=C(C)c1cnc(c(c1)O)C 271570a_100000694244_100009864810 [0,0,0,0,0,0|4,0,0]=4 52 B11R1.21 C=C(C)c1cnc(c(c1)O)F 271570a_100000694244_100009819871 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.21 C=C(C)c1cnc(c(c1)O)N 271570a_100000694244_100009819042 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [0,0,0,0,0,0|3,0,0]=3 55 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [0,0,0,0,0,0|3,0,0]=3 56 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [0,0,0,0,0,0|3,0,0]=3 57 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [0,0,0,0,0,0|3,0,0]=3 58 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [0,0,0,0,0,0|3,0,0]=3 59 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [0,0,0,0,0,0|3,0,0]=3 60 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [0,0,0,0,0,0|2,0,0]=2 61 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [0,0,0,0,0,0|2,0,0]=2 62 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [0,0,0,0,0,0|3,0,0]=3 63 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [0,0,0,0,0,0|3,0,0]=3 66 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [0,0,0,0,0,0|3,0,0]=3 67 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [0,0,0,0,0,0|2,0,0]=2 68 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [0,0,0,0,0,0|2,0,0]=2 69 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [0,0,0,0,0,0|3,0,0]=3 70 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [0,0,0,0,0,0|3,0,0]=3 71 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [0,0,0,0,0,0|3,0,0]=3 72 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [0,0,0,0,0,0|3,0,0]=3 73 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [0,0,0,0,0,0|3,0,0]=3 74 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [0,0,0,0,0,0|2,0,0]=2 75 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [0,0,0,0,0,0|3,0,0]=3 76 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [0,0,0,0,0,0|3,0,0]=3 77 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [0,0,0,0,0,0|3,0,0]=3 78 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [0,0,0,0,0,0|3,0,0]=3 79 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [0,0,0,0,0,0|3,0,0]=3 80 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [0,0,0,0,0,0|2,0,0]=2 81 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [0,0,0,0,0,0|2,0,0]=2 82 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [0,0,0,0,0,0|3,0,0]=3 84 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [0,0,0,0,0,0|3,0,0]=3 85 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [0,0,0,0,0,0|3,0,0]=3 86 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [0,0,0,0,0,0|3,0,0]=3 87 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [0,0,0,0,0,0|2,0,0]=2 88 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [0,0,0,0,0,0|2,0,0]=2 89 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [0,0,0,0,0,0|2,0,0]=2 90 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [0,0,0,0,0,0|2,0,0]=2 91 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [0,0,0,0,0,0|2,0,0]=2 92 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [0,0,0,0,0,0|2,0,0]=2 93 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [0,0,0,0,0,0|2,0,0]=2 94 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [0,0,0,0,0,0|2,0,0]=2 95 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [0,0,0,0,0,0|2,0,0]=2 96 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [0,0,0,0,0,0|2,0,0]=2 97 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [0,0,0,0,0,0|2,0,0]=2 98 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [0,0,0,0,0,0|1,0,0]=1 99 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [0,0,0,0,0,0|1,0,0]=1 100 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [0,0,0,0,0,0|3,0,0]=3 101 B11R1.21 CC(=O)c1cnc(c(c1)O)F 271570a_203496583355_200010135287 [0,0,0,0,0,0|3,0,0]=3 102 B11R1.21 CC(C)c1ccc(c(c1)Br)O 271570a_203496583355_200010212211 [0,0,0,0,0,0|3,0,1]=4 103 B11R1.21 CC(C)c1ccc(c(c1)O)N 271570a_203496583355_100011218581 [0,0,0,0,0,0|3,0,1]=4 104 B11R1.21 CC(O)c1ccc(c(c1)O)F 271570a_203496583355_100011191524 [0,0,0,0,0,0|2,0,1]=3 105 B11R1.21 CN(C)c1ccc(c(c1)O)N 271570a_203496583355_200013039233 [0,0,0,0,0,0|4,0,0]=4 106 B11R1.21 C[C@H](N)c1ccc(c(c1)F)O 271570a_203496583355_100134618348 [0,0,0,0,0,0|3,0,1]=4 107 B11R1.21 C[C@H](N)c1ccc(c(c1)O)F 271570a_203496583355_100000753309 [0,0,0,0,0,0|3,0,1]=4 108 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [0,0,0,0,0,0|3,0,0]=3 109 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [0,0,0,0,0,0|3,0,0]=3 110 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [0,0,0,0,0,0|3,0,0]=3 111 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [0,0,0,0,0,0|3,0,0]=3 112 B11R1.21 Cc1cc(ccc1O)B(O)O 271570a_203496583355_100010089846 [0,0,0,0,0,0|2,0,1]=3 113 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [0,0,0,0,0,0|2,0,0]=2 114 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [0,0,0,0,0,0|2,0,0]=2 115 B11R1.21 Cc1cc(ccc1O)N(C)C 271570a_203496583355_100011934168 [0,0,0,0,0,0|4,0,0]=4 116 B11R1.21 Cc1cc(cnc1O)B(O)O 271570a_203496583355_100000061933 [0,0,0,0,0,0|3,0,1]=4 117 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [0,0,0,0,0,0|3,0,0]=3 118 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [0,0,0,0,0,0|3,0,0]=3 119 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [0,0,0,0,0,0|3,0,0]=3 120 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [0,0,0,0,0,0|3,0,0]=3 121 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [0,0,0,0,0,0|3,0,0]=3 122 B11R1.21 Cc1ccc(cc1O)B(O)O 271570a_203496583355_200010223333 [0,0,0,0,0,0|2,0,1]=3 123 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [0,0,0,0,0,0|2,0,0]=2 124 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [0,0,0,0,0,0|2,0,0]=2 125 B11R1.21 Cc1ncc(cc1O)B(O)O 271570a_203496583355_200010710928 [0,0,0,0,0,0|3,0,1]=4 126 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [0,0,0,0,0,0|2,0,0]=2 127 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [0,0,0,0,0,0|2,0,0]=2 128 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [0,0,0,0,0,0|2,0,0]=2 129 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [0,0,0,0,0,0|1,0,0]=1 130 B11R1.21 Nc1cc(cnc1O)B(O)O 271570a_203496583355_100009878943 [0,0,0,0,0,0|3,0,1]=4 131 B11R1.21 Nc1ncc(cc1O)B(O)O 271570a_203496583355_200010710923 [0,0,0,0,0,0|3,0,1]=4 132 B11R1.21 OB(O)c1ccc(c(c1)F)O 271570a_203496583355_100009813512 [0,0,0,0,0,0|2,0,1]=3 133 B11R1.21 OB(O)c1ccc(c(c1)O)F 271570a_203496583355_100010175509 [0,0,0,0,0,0|2,0,1]=3 134 B11R1.21 OB(O)c1cnc(c(c1)F)O 271570a_203496583355_100000117163 [0,0,0,0,0,0|3,0,1]=4 135 B11R1.21 Oc1cc(ccc1F)C(F)F 271570a_203496583355_100010188717 [0,0,0,0,0,0|3,0,1]=4 136 B11R1.21 Oc1ccc(cc1F)C(F)F 271570a_203496583355_100010189893 [0,0,0,0,0,0|3,0,1]=4 137 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [0,0,0,0,0,0|3,0,0]=3 138 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [0,0,0,0,0,0|3,0,0]=3 139 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [0,0,0,0,0,0|3,0,0]=3 140 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [0,0,0,0,0,0|3,0,0]=3 141 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [0,0,0,0,0,0|2,0,0]=2 142 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [0,0,0,0,0,0|3,0,0]=3 143 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [0,0,0,0,0,0|3,0,0]=3 144 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [0,0,0,0,0,0|3,0,0]=3 145 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [0,0,0,0,0,0|3,0,0]=3 146 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [0,0,0,0,0,0|2,0,0]=2 147 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [0,0,0,0,0,0|3,0,0]=3 148 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [0,0,0,0,0,0|3,0,0]=3 149 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [0,0,0,0,0,0|3,0,0]=3 150 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [0,0,0,0,0,0|3,0,0]=3 151 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [0,0,0,0,0,0|2,0,0]=2 152 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [0,0,0,0,0,0|3,0,0]=3 153 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [0,0,0,0,0,0|3,0,0]=3 154 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [0,0,0,0,0,0|3,0,0]=3 155 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [0,0,0,0,0,0|3,0,0]=3 156 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [0,0,0,0,0,0|2,0,0]=2 157 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [0,0,0,0,0,0|2,0,0]=2 158 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [0,0,0,0,0,0|2,0,0]=2 159 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [0,0,0,0,0,0|2,0,0]=2 160 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [0,0,0,0,0,0|2,0,0]=2 161 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [0,0,0,0,0,0|1,0,0]=1 162 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,0,0,0,0,0|3,0,0]=4 167 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,0,0,0,0,0|2,0,0]=3 168 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,0,0,0,0,0|2,0,0]=3 169 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,0,0,0,0,0|2,0,0]=3 171 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,0,0,0,0,0|2,0,0]=3 172 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,0,0,0,0,0|2,0,0]=3 173 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,0,0,0,0,0|2,0,0]=3 174 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,0,0,0,0,0|2,0,0]=3 175 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,0,0,0,0,0|1,0,0]=2 176 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,0,0,0,0,0|1,0,0]=2 177 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,0,0,0,0,0|2,0,0]=3 178 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,0,0,0,0,0|2,0,0]=3 179 B10R1.13 CC(=O)c1cnc(cn1)O 271570a_203496583355_100009883172 [1,0,0,0,0,0|3,0,0]=4 180 B10R1.13 CC(=O)c1cnc(nc1)O 271570a_203496583355_100000099681 [1,0,0,0,0,0|3,0,0]=4 181 B10R1.13 CC(=O)c1ncc(cn1)O 271570a_203496583355_100010077182 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [1,0,0,0,0,0|2,0,1]=4 183 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,0,0,0,0,0|1,0,1]=3 184 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [1,0,0,0,0,0|2,0,1]=4 185 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [1,0,0,0,0,0|2,0,1]=4 186 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,0,0,0,0,0|2,0,0]=3 192 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [1,0,0,0,0,0|2,0,1]=4 193 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [1,0,0,0,0,0|2,0,1]=4 194 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,0,0,0,0,0|2,0,0]=3 195 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,0,0,0,0,0|1,0,0]=2 196 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [1,0,0,0,0,0|2,0,0]=3 197 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [1,0,0,0,0,0|2,0,0]=3 198 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [1,0,0,0,0,0|3,0,0]=4 199 B10R1.13 NC(=O)c1cnc(cn1)O 271570a_203496583355_100000738300 [1,0,0,0,0,0|3,0,0]=4 200 B10R1.13 NC(=O)c1ncc(cn1)O 271570a_203496583355_100009996756 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.13 OB(O)c1ccc(cc1)O 271570a_203496583355_100000754493 [1,0,0,0,0,0|1,0,1]=3 202 B10R1.13 OB(O)c1ccc(cn1)O 271570a_203496583355_200010198023 [1,0,0,0,0,0|2,0,1]=4 203 B10R1.13 OB(O)c1ccc(nc1)O 271570a_203496583355_100000688115 [1,0,0,0,0,0|2,0,1]=4 204 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [1,0,0,0,0,0|2,0,1]=4 205 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,0,0,0,0,0|2,0,0]=3 206 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,0,0,0,0,0|2,0,0]=3 207 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,0,0,0,0,0|2,0,0]=3 208 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,0,0,0,0,0|2,0,0]=3 209 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,0,0,0,0,0|1,0,0]=2 210 B10R1.113 C=C(C)c1cc(ccn1)O 271570a_100000694244_100000762945 [1,0,0,0,0,0|3,0,0]=4 211 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [1,0,0,0,0,0|3,0,0]=4 212 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [1,0,0,0,0,0|3,0,0]=4 213 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [1,0,0,0,0,0|3,0,0]=4 214 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [1,0,0,0,0,0|3,0,0]=4 215 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [1,0,0,0,0,0|2,0,0]=3 217 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [1,0,0,0,0,0|2,0,0]=3 218 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [1,0,0,0,0,0|2,1,0]=4 219 B10R1.113 C=C(C)c1cncc(c1)O 271570a_100000694244_100000754920 [1,0,0,0,0,0|3,0,0]=4 220 B10R1.113 C=C(C)c1cncc(c1)O 271570a_203496583355_200009889500 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [1,0,0,0,0,0|2,0,0]=3 222 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [1,0,0,0,0,0|2,0,0]=3 223 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [1,0,0,0,0,0|2,0,0]=3 224 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [1,0,0,0,0,0|2,0,0]=3 225 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [1,0,0,0,0,0|2,0,0]=3 226 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [1,0,0,0,0,0|2,0,0]=3 227 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [1,0,0,0,0,0|1,0,0]=2 228 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [1,0,0,0,0,0|1,0,0]=2 229 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [1,0,0,0,0,0|2,0,0]=3 230 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [1,0,0,0,0,0|2,0,0]=3 231 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [1,0,0,0,0,0|3,0,0]=4 232 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [1,0,0,0,0,0|2,0,0]=3 233 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [1,0,0,0,0,0|2,0,1]=4 234 B10R1.113 CC(N)c1cccc(c1)O 271570a_203496583355_100020642005 [1,0,0,0,0,0|2,0,1]=4 235 B10R1.113 CC(O)c1cc(ccn1)O 271570a_203496583355_100000144657 [1,0,0,0,0,0|2,0,1]=4 236 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [1,0,0,0,0,0|1,0,1]=3 237 B10R1.113 CC(O)c1cccc(n1)O 271570a_203496583355_100009820884 [1,0,0,0,0,0|2,0,1]=4 238 B10R1.113 CC(O)c1cncc(c1)O 271570a_203496583355_100012351597 [1,0,0,0,0,0|2,0,1]=4 239 B10R1.113 CN(C)c1cccc(c1)O 2230a_100000756613_200000210301 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.113 CN(C)c1cccc(c1)O 269982a_100000756613_200000210301 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.113 CN(C)c1cccc(c1)O 271570a_203496583355_100011215952 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.113 CN(C)c1cccc(c1)O 34a_100000756613_200000210301 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.113 CN([13CH3])c1cccc(c1)O 2230a_100000756613_200025704644 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.113 CN([13CH3])c1cccc(c1)O 269982a_100000756613_200025704644 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.113 CN([13CH3])c1cccc(c1)O 34a_100000756613_200025704644 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [1,0,0,0,0,0|2,0,0]=3 247 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [1,0,0,0,0,0|2,0,0]=3 248 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [1,0,0,0,0,0|2,0,0]=3 249 B10R1.113 NC(=O)c1cc(ncn1)O 271570a_203496583355_100000725265 [1,0,0,0,0,0|3,0,0]=4 250 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [1,0,0,0,0,0|1,0,0]=2 251 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [1,0,0,0,0,0|2,0,0]=3 252 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [1,0,0,0,0,0|2,0,0]=3 253 B10R1.113 NC(=O)c1ccnc(n1)O 271570a_203496583355_100000066158 [1,0,0,0,0,0|3,0,0]=4 254 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [1,0,0,0,0,0|2,0,0]=3 255 B10R1.113 NC(=O)c1cncc(n1)O 271570a_203496583355_100000764846 [1,0,0,0,0,0|3,0,0]=4 256 B10R1.113 NC(=O)c1cnnc(c1)O 271570a_203496583355_100015785749 [1,0,0,0,0,0|3,0,0]=4 257 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [1,0,0,0,0,0|1,0,1]=3 258 B10R1.113 OB(O)c1cccc(n1)O 271570a_203496583355_100000117343 [1,0,0,0,0,0|2,0,1]=4 259 B10R1.113 OB(O)c1ccnc(c1)O 271570a_203496583355_100000049459 [1,0,0,0,0,0|2,0,1]=4 260 B10R1.113 OB(O)c1cncc(c1)O 271570a_203496583355_200009814628 [1,0,0,0,0,0|2,0,1]=4 261 B10R1.113 Oc1cccc(c1)C(F)F 271570a_203496583355_100009892619 [1,0,0,0,0,0|2,0,1]=4 262 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [1,0,0,0,0,0|2,0,0]=3 263 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [1,0,0,0,0,0|2,0,0]=3 264 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [1,0,0,0,0,0|2,0,0]=3 265 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [1,0,0,0,0,0|2,0,0]=3 266 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [1,0,0,0,0,0|1,0,0]=2 267 B10R1.176 C=Cc1c[nH]c(=O)c(c1)O 271570a_100011290941_100009814561 [1,0,0,0,0,0|2,0,1]=4 268 B10R1.176 C=Cc1cc(c(cn1)C)O 271570a_100011290941_100000704368 [1,0,0,0,0,0|3,0,0]=4 269 B10R1.176 C=Cc1cc(c(cn1)F)O 271570a_100011290941_100009854642 [1,0,0,0,0,0|3,0,0]=4 270 B10R1.176 C=Cc1cc(c(cn1)O)C 271570a_100011290941_100000692680 [1,0,0,0,0,0|3,0,0]=4 271 B10R1.176 C=Cc1cc(c(cn1)O)N 271570a_100011290941_100009819941 [1,0,0,0,0,0|3,0,0]=4 272 B10R1.176 C=Cc1ccc(c(c1)Br)Br 271570a_100011290941_100012356285 [1,0,0,0,0,0|3,0,0]=4 273 B10R1.176 C=Cc1ccc(c(c1)Br)C 271570a_100011290941_100011847877 [1,0,0,0,0,0|3,0,0]=4 274 B10R1.176 C=Cc1ccc(c(c1)Br)Cl 271570a_100011290941_100012353702 [1,0,0,0,0,0|3,0,0]=4 275 B10R1.176 C=Cc1ccc(c(c1)Br)F 271570a_100011290941_100012047266 [1,0,0,0,0,0|3,0,0]=4 276 B10R1.176 C=Cc1ccc(c(c1)Br)N 271570a_100011290941_100000750455 [1,0,0,0,0,0|3,0,0]=4 277 B10R1.176 C=Cc1ccc(c(c1)Br)O 271570a_100011290941_100012361655 [1,0,0,0,0,0|2,0,0]=3 278 B10R1.176 C=Cc1ccc(c(c1)C)Br 271570a_100011290941_100009813585 [1,0,0,0,0,0|3,0,0]=4 279 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [1,0,0,0,0,0|3,0,0]=4 280 B10R1.176 C=Cc1ccc(c(c1)C)Cl 271570a_100011290941_100000049509 [1,0,0,0,0,0|3,0,0]=4 281 B10R1.176 C=Cc1ccc(c(c1)C)F 271570a_100011290941_100011218330 [1,0,0,0,0,0|3,0,0]=4 282 B10R1.176 C=Cc1ccc(c(c1)C)N 271570a_100011290941_100000211769 [1,0,0,0,0,0|3,0,0]=4 283 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [1,0,0,0,0,0|2,0,0]=3 284 B10R1.176 C=Cc1ccc(c(c1)Cl)Br 271570a_100011290941_100012047281 [1,0,0,0,0,0|3,0,0]=4 285 B10R1.176 C=Cc1ccc(c(c1)Cl)C 271570a_100011290941_100011216363 [1,0,0,0,0,0|3,0,0]=4 286 B10R1.176 C=Cc1ccc(c(c1)Cl)Cl 271570a_100011290941_100011214914 [1,0,0,0,0,0|3,0,0]=4 287 B10R1.176 C=Cc1ccc(c(c1)Cl)F 271570a_100011290941_100011215976 [1,0,0,0,0,0|3,0,0]=4 288 B10R1.176 C=Cc1ccc(c(c1)Cl)N 271570a_100011290941_100011218065 [1,0,0,0,0,0|3,0,0]=4 289 B10R1.176 C=Cc1ccc(c(c1)Cl)O 271570a_100011290941_100012360047 [1,0,0,0,0,0|2,0,0]=3 290 B10R1.176 C=Cc1ccc(c(c1)F)Br 271570a_100011290941_100000685389 [1,0,0,0,0,0|3,0,0]=4 291 B10R1.176 C=Cc1ccc(c(c1)F)C 271570a_100011290941_100000720648 [1,0,0,0,0,0|3,0,0]=4 292 B10R1.176 C=Cc1ccc(c(c1)F)Cl 271570a_100011290941_100011216805 [1,0,0,0,0,0|3,0,0]=4 293 B10R1.176 C=Cc1ccc(c(c1)F)F 271570a_100011290941_100000750028 [1,0,0,0,0,0|3,0,0]=4 294 B10R1.176 C=Cc1ccc(c(c1)F)N 271570a_100011290941_100011215594 [1,0,0,0,0,0|3,0,0]=4 295 B10R1.176 C=Cc1ccc(c(c1)F)O 271570a_100011290941_100000185481 [1,0,0,0,0,0|2,0,0]=3 296 B10R1.176 C=Cc1ccc(c(c1)N)Br 271570a_100011290941_100000750456 [1,0,0,0,0,0|3,0,0]=4 297 B10R1.176 C=Cc1ccc(c(c1)N)C 271570a_100011290941_100000761890 [1,0,0,0,0,0|3,0,0]=4 298 B10R1.176 C=Cc1ccc(c(c1)N)Cl 271570a_100011290941_200000761891 [1,0,0,0,0,0|3,0,0]=4 299 B10R1.176 C=Cc1ccc(c(c1)N)F 271570a_100011290941_100000740924 [1,0,0,0,0,0|3,0,0]=4 300 B10R1.176 C=Cc1ccc(c(c1)N)N 271570a_100011290941_100000741789 [1,0,0,0,0,0|3,0,0]=4 301 B10R1.176 C=Cc1ccc(c(c1)N)O 271570a_100011290941_100000752626 [1,0,0,0,0,0|2,0,0]=3 302 B10R1.176 C=Cc1ccc(c(c1)O)Br 271570a_100011290941_100012356990 [1,0,0,0,0,0|2,0,0]=3 303 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [1,0,0,0,0,0|2,0,0]=3 304 B10R1.176 C=Cc1ccc(c(c1)O)Cl 271570a_100011290941_100011356854 [1,0,0,0,0,0|2,0,0]=3 305 B10R1.176 C=Cc1ccc(c(c1)O)F 271570a_100011290941_100000686035 [1,0,0,0,0,0|2,0,0]=3 306 B10R1.176 C=Cc1ccc(c(c1)O)N 271570a_100011290941_100000739049 [1,0,0,0,0,0|2,0,0]=3 307 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [1,0,0,0,0,0|1,0,0]=2 308 B10R1.176 C=Cc1ccc(c(n1)Br)O 271570a_100011290941_100000725334 [1,0,0,0,0,0|3,0,0]=4 309 B10R1.176 C=Cc1ccc(c(n1)C)O 271570a_100011290941_100010233687 [1,0,0,0,0,0|3,0,0]=4 310 B10R1.176 C=Cc1ccc(c(n1)Cl)O 271570a_100011290941_100000721234 [1,0,0,0,0,0|3,0,0]=4 311 B10R1.176 C=Cc1ccc(c(n1)F)O 271570a_100011290941_100009819667 [1,0,0,0,0,0|3,0,0]=4 312 B10R1.176 C=Cc1ccc(c(n1)N)O 271570a_100011290941_100000685527 [1,0,0,0,0,0|3,0,0]=4 313 B10R1.176 C=Cc1ccc(c(n1)O)F 271570a_100011290941_100010729010 [1,0,0,0,0,0|3,0,0]=4 314 B10R1.176 C=Cc1ccc(c(n1)O)N 271570a_100011290941_100000718904 [1,0,0,0,0,0|3,0,0]=4 315 B10R1.176 C=Cc1cnc(c(c1)C)O 271570a_100011290941_100000685391 [1,0,0,0,0,0|3,0,0]=4 316 B10R1.176 C=Cc1cnc(c(c1)Cl)O 271570a_100011290941_100010238531 [1,0,0,0,0,0|3,0,0]=4 317 B10R1.176 C=Cc1cnc(c(c1)N)O 271570a_100011290941_100000743729 [1,0,0,0,0,0|3,0,0]=4 318 B10R1.176 C=Cc1cnc(c(c1)O)C 271570a_100011290941_100009864810 [1,0,0,0,0,0|3,0,0]=4 319 B10R1.176 C=Cc1cnc(c(c1)O)F 271570a_100011290941_100009819871 [1,0,0,0,0,0|3,0,0]=4 320 B10R1.176 C=Cc1cnc(c(c1)O)N 271570a_100011290941_100009819042 [1,0,0,0,0,0|3,0,0]=4 321 B10R1.176 CCc1ccc(c(c1)Br)O 271570a_203496583355_200009997437 [1,0,0,0,0,0|2,0,1]=4 322 B10R1.176 CCc1ccc(c(c1)F)O 271570a_203496583355_200010339503 [1,0,0,0,0,0|2,0,1]=4 323 B10R1.176 CCc1ccc(c(c1)O)F 271570a_203496583355_200010244628 [1,0,0,0,0,0|2,0,1]=4 324 B10R1.176 CCc1ccc(c(c1)O)N 271570a_203496583355_100012339725 [1,0,0,0,0,0|2,0,1]=4 325 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [1,0,0,0,0,0|1,0,1]=3 326 B10R1.176 CNc1ccc(c(c1)Br)O 34a_100011534360_200000210301 [1,0,0,0,0,0|3,0,0]=4 327 B10R1.176 CNc1ccc(c(c1)C)O 271570a_203496583355_100102888905 [1,0,0,0,0,0|3,0,0]=4 328 B10R1.176 CNc1ccc(c(c1)C)O 34a_100011218179_200000210301 [1,0,0,0,0,0|3,0,0]=4 329 B10R1.176 CNc1ccc(c(c1)C)O 7a_100011218179_200000210301 [1,0,0,0,0,0|3,0,0]=4 330 B10R1.176 CNc1ccc(c(c1)Cl)O 34a_100000744943_200000210301 [1,0,0,0,0,0|3,0,0]=4 331 B10R1.176 CNc1ccc(c(c1)F)O 271570a_203496583355_100012285320 [1,0,0,0,0,0|3,0,0]=4 332 B10R1.176 CNc1ccc(c(c1)F)O 34a_100011220035_200000210301 [1,0,0,0,0,0|3,0,0]=4 333 B10R1.176 CNc1ccc(c(c1)F)O 7a_100011220035_200000210301 [1,0,0,0,0,0|3,0,0]=4 334 B10R1.176 CNc1ccc(c(c1)O)C 271570a_203496583355_100000707694 [1,0,0,0,0,0|3,0,0]=4 335 B10R1.176 CNc1ccc(c(c1)O)C 34a_100000759471_200000210301 [1,0,0,0,0,0|3,0,0]=4 336 B10R1.176 CNc1ccc(c(c1)O)C 7a_100000759471_200000210301 [1,0,0,0,0,0|3,0,0]=4 337 B10R1.176 CNc1ccc(c(c1)O)Cl 34a_100011934209_200000210301 [1,0,0,0,0,0|3,0,0]=4 338 B10R1.176 CNc1ccc(c(c1)O)F 34a_100012017398_200000210301 [1,0,0,0,0,0|3,0,0]=4 339 B10R1.176 CNc1ccc(c(c1)O)F 7a_100012017398_200000210301 [1,0,0,0,0,0|3,0,0]=4 340 B10R1.176 CNc1ccc(c(c1)O)O 34a_100102946323_200000210301 [1,0,0,0,0,0|2,0,0]=3 341 B10R1.176 COc1cc(c(cn1)O)O 271570a_203496583355_100010738159 [1,0,0,0,0,0|3,0,0]=4 342 B10R1.176 COc1ccc(c(c1)Br)O 271570a_203496583355_100012349170 [1,0,0,0,0,0|3,0,0]=4 343 B10R1.176 COc1ccc(c(c1)C)O 271570a_203496583355_100000759875 [1,0,0,0,0,0|3,0,0]=4 344 B10R1.176 COc1ccc(c(c1)F)O 271570a_203496583355_100000753793 [1,0,0,0,0,0|3,0,0]=4 345 B10R1.176 COc1ccc(c(c1)N)O 271570a_203496583355_100000748021 [1,0,0,0,0,0|3,0,0]=4 346 B10R1.176 COc1ccc(c(c1)O)Br 271570a_203496583355_100009992028 [1,0,0,0,0,0|3,0,0]=4 347 B10R1.176 COc1ccc(c(c1)O)C 271570a_203496583355_100012349166 [1,0,0,0,0,0|3,0,0]=4 348 B10R1.176 COc1ccc(c(c1)O)Cl 271570a_203496583355_100011356938 [1,0,0,0,0,0|3,0,0]=4 349 B10R1.176 COc1ccc(c(c1)O)F 271570a_203496583355_100000699733 [1,0,0,0,0,0|3,0,0]=4 350 B10R1.176 COc1ccc(c(c1)O)N 271570a_203496583355_100015195136 [1,0,0,0,0,0|3,0,0]=4 351 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [1,0,0,0,0,0|2,0,0]=3 352 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [1,0,0,0,0,0|2,0,0]=3 353 B10R1.176 CSc1ccc(c(c1)Br)O 62a_100012361655_200000210301 [1,0,0,0,0,0|3,0,0]=4 354 B10R1.176 CSc1ccc(c(c1)Br)O 62a_200000210301_100012361655 [1,0,0,0,0,0|3,0,0]=4 355 B10R1.176 CSc1ccc(c(c1)C)O 62a_200000210301_100000186361 [1,0,0,0,0,0|3,0,0]=4 356 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_100012360047_200000210301 [1,0,0,0,0,0|3,0,0]=4 357 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_200000210301_100012360047 [1,0,0,0,0,0|3,0,0]=4 358 B10R1.176 CSc1ccc(c(c1)F)O 271570a_203496583355_100009816902 [1,0,0,0,0,0|3,0,0]=4 359 B10R1.176 CSc1ccc(c(c1)F)O 62a_100000185481_200000210301 [1,0,0,0,0,0|3,0,0]=4 360 B10R1.176 CSc1ccc(c(c1)F)O 62a_200000210301_100000185481 [1,0,0,0,0,0|3,0,0]=4 361 B10R1.176 CSc1ccc(c(c1)N)O 62a_100000752626_200000210301 [1,0,0,0,0,0|3,0,0]=4 362 B10R1.176 CSc1ccc(c(c1)N)O 62a_200000210301_100000752626 [1,0,0,0,0,0|3,0,0]=4 363 B10R1.176 CSc1ccc(c(c1)O)Br 62a_100012356990_200000210301 [1,0,0,0,0,0|3,0,0]=4 364 B10R1.176 CSc1ccc(c(c1)O)Br 62a_200000210301_100012356990 [1,0,0,0,0,0|3,0,0]=4 365 B10R1.176 CSc1ccc(c(c1)O)C 62a_100000685420_200000210301 [1,0,0,0,0,0|3,0,0]=4 366 B10R1.176 CSc1ccc(c(c1)O)C 62a_200000210301_100000685420 [1,0,0,0,0,0|3,0,0]=4 367 B10R1.176 CSc1ccc(c(c1)O)Cl 62a_100011356854_200000210301 [1,0,0,0,0,0|3,0,0]=4 368 B10R1.176 CSc1ccc(c(c1)O)Cl 62a_200000210301_100011356854 [1,0,0,0,0,0|3,0,0]=4 369 B10R1.176 CSc1ccc(c(c1)O)F 271570a_203496583355_200010708804 [1,0,0,0,0,0|3,0,0]=4 370 B10R1.176 CSc1ccc(c(c1)O)F 62a_100000686035_200000210301 [1,0,0,0,0,0|3,0,0]=4 371 B10R1.176 CSc1ccc(c(c1)O)F 62a_200000210301_100000686035 [1,0,0,0,0,0|3,0,0]=4 372 B10R1.176 CSc1ccc(c(c1)O)N 62a_100000739049_200000210301 [1,0,0,0,0,0|3,0,0]=4 373 B10R1.176 CSc1ccc(c(c1)O)N 62a_200000210301_100000739049 [1,0,0,0,0,0|3,0,0]=4 374 B10R1.176 CSc1ccc(c(c1)O)O 62a_200000210301_100009813601 [1,0,0,0,0,0|2,0,0]=3 375 B10R1.176 Cc1cc(ccc1O)C#N 271570a_203496583355_100000212329 [1,0,0,0,0,0|2,0,1]=4 376 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [1,0,0,0,0,0|1,0,0]=2 377 B10R1.176 Cc1cc(ccc1O)CN 271570a_203496583355_100015205234 [1,0,0,0,0,0|2,0,1]=4 378 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [1,0,0,0,0,0|1,0,1]=3 379 B10R1.176 Cc1cc(ccc1O)NN 271570a_203496583355_100000745493 [1,0,0,0,0,0|3,0,0]=4 380 B10R1.176 Cc1cc(ccc1O)N[13CH3] 34a_100011218179_200025704644 [1,0,0,0,0,0|3,0,0]=4 381 B10R1.176 Cc1cc(ccc1O)N[13CH3] 7a_100011218179_200025704644 [1,0,0,0,0,0|3,0,0]=4 382 B10R1.176 Cc1cc(ccc1O)S[13CH3] 62a_200025704644_100000186361 [1,0,0,0,0,0|3,0,0]=4 383 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [1,0,0,0,0,0|2,0,0]=3 384 B10R1.176 Cc1cc(cnc1O)CO 271570a_203496583355_200000092119 [1,0,0,0,0,0|2,0,1]=4 385 B10R1.176 Cc1cc(ncc1O)C=O 271570a_203496583355_100009814806 [1,0,0,0,0,0|2,0,0]=3 386 B10R1.176 Cc1cc(ncc1O)CO 271570a_203496583355_200010713146 [1,0,0,0,0,0|2,0,1]=4 387 B10R1.176 Cc1ccc(cc1O)C#N 271570a_203496583355_100000690169 [1,0,0,0,0,0|2,0,1]=4 388 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [1,0,0,0,0,0|1,0,0]=2 389 B10R1.176 Cc1ccc(cc1O)CO 271570a_203496583355_100000050133 [1,0,0,0,0,0|1,0,1]=3 390 B10R1.176 Cc1ccc(cc1O)NN 271570a_203496583355_100016991967 [1,0,0,0,0,0|3,0,0]=4 391 B10R1.176 Cc1ccc(cc1O)N[13CH3] 34a_100000759471_200025704644 [1,0,0,0,0,0|3,0,0]=4 392 B10R1.176 Cc1ccc(cc1O)N[13CH3] 7a_100000759471_200025704644 [1,0,0,0,0,0|3,0,0]=4 393 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_100000685420_200025704644 [1,0,0,0,0,0|3,0,0]=4 394 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_200025704644_100000685420 [1,0,0,0,0,0|3,0,0]=4 395 B10R1.176 Cc1cnc(cc1O)C=O 271570a_203496583355_100010174032 [1,0,0,0,0,0|2,0,0]=3 396 B10R1.176 Cc1cnc(cc1O)CO 271570a_203496583355_100010113723 [1,0,0,0,0,0|2,0,1]=4 397 B10R1.176 Cc1nc(ccc1O)C=O 271570a_203496583355_100010238520 [1,0,0,0,0,0|2,0,0]=3 398 B10R1.176 Cc1nc(ccc1O)CO 271570a_203496583355_100010114280 [1,0,0,0,0,0|2,0,1]=4 399 B10R1.176 N#Cc1cc(c(cn1)O)O 271570a_203496583355_100016221821 [1,0,0,0,0,0|2,0,1]=4 400 B10R1.176 N#Cc1ccc(c(c1)Br)O 271570a_203496583355_100012356348 [1,0,0,0,0,0|2,0,1]=4 401 B10R1.176 N#Cc1ccc(c(c1)Cl)O 271570a_203496583355_100012349663 [1,0,0,0,0,0|2,0,1]=4 402 B10R1.176 N#Cc1ccc(c(c1)F)O 271570a_203496583355_100011794375 [1,0,0,0,0,0|2,0,1]=4 403 B10R1.176 N#Cc1ccc(c(c1)N)O 271570a_203496583355_100012001879 [1,0,0,0,0,0|2,0,1]=4 404 B10R1.176 N#Cc1ccc(c(c1)O)Br 271570a_203496583355_100012349583 [1,0,0,0,0,0|2,0,1]=4 405 B10R1.176 N#Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010199462 [1,0,0,0,0,0|2,0,1]=4 406 B10R1.176 N#Cc1ccc(c(c1)O)F 271570a_203496583355_100000188605 [1,0,0,0,0,0|2,0,1]=4 407 B10R1.176 N#Cc1ccc(c(c1)O)N 271570a_203496583355_100000736769 [1,0,0,0,0,0|2,0,1]=4 408 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000724445 [1,0,0,0,0,0|1,0,1]=3 409 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000725478 [1,0,0,0,0,0|1,0,1]=3 410 B10R1.176 N#Cc1ccc(c(n1)O)O 271570a_203496583355_200011068624 [1,0,0,0,0,0|2,0,1]=4 411 B10R1.176 N#Cc1cnc(c(c1)O)O 271570a_203496583355_100009819929 [1,0,0,0,0,0|2,0,1]=4 412 B10R1.176 NCc1ccc(c(c1)F)O 271570a_203496583355_100000755036 [1,0,0,0,0,0|2,0,1]=4 413 B10R1.176 NCc1ccc(c(c1)O)F 271570a_203496583355_100015193890 [1,0,0,0,0,0|2,0,1]=4 414 B10R1.176 NNc1ccc(c(c1)F)O 271570a_203496583355_100016992936 [1,0,0,0,0,0|3,0,0]=4 415 B10R1.176 NNc1ccc(c(c1)O)F 271570a_203496583355_200025705588 [1,0,0,0,0,0|3,0,0]=4 416 B10R1.176 Nc1cc(ccc1O)CO 271570a_203496583355_100012347568 [1,0,0,0,0,0|1,0,1]=3 417 B10R1.176 Nc1ncc(cc1O)C=O 271570a_203496583355_100010064899 [1,0,0,0,0,0|2,0,0]=3 418 B10R1.176 Nc1ncc(cc1O)CO 271570a_203496583355_100012343677 [1,0,0,0,0,0|2,0,1]=4 419 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [1,0,0,0,0,0|1,0,0]=2 420 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [1,0,0,0,0,0|1,0,0]=2 421 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [1,0,0,0,0,0|1,0,0]=2 422 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [1,0,0,0,0,0|1,0,0]=2 423 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [1,0,0,0,0,0|0,0,0]=1 424 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [1,0,0,0,0,0|0,0,0]=1 425 B10R1.176 O=Cc1cnc(c(c1)F)O 271570a_203496583355_100009866847 [1,0,0,0,0,0|2,0,0]=3 426 B10R1.176 O=Cc1cnc(c(c1)O)O 271570a_203496583355_100010064886 [1,0,0,0,0,0|1,0,0]=2 427 B10R1.176 OCc1ccc(c(c1)Cl)O 271570a_203496583355_100000718186 [1,0,0,0,0,0|1,0,1]=3 428 B10R1.176 OCc1ccc(c(c1)F)O 271570a_203496583355_100011533735 [1,0,0,0,0,0|1,0,1]=3 429 B10R1.176 OCc1ccc(c(c1)O)F 271570a_203496583355_100000246287 [1,0,0,0,0,0|1,0,1]=3 430 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [1,0,0,0,0,0|0,0,1]=2 431 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [1,0,0,0,0,0|0,0,1]=2 432 B10R1.176 OCc1ccc(c(n1)O)O 271570a_203496583355_200000118097 [1,0,0,0,0,0|1,0,1]=3 433 B10R1.176 OCc1cnc(c(c1)F)O 271570a_203496583355_100010065243 [1,0,0,0,0,0|2,0,1]=4 434 B10R1.176 OCc1cnc(c(c1)O)Cl 271570a_203496583355_200015217190 [1,0,0,0,0,0|2,0,1]=4 435 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)O 34a_100011534360_200025704644 [1,0,0,0,0,0|3,0,0]=4 436 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)O 34a_100000744943_200025704644 [1,0,0,0,0,0|3,0,0]=4 437 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 34a_100011220035_200025704644 [1,0,0,0,0,0|3,0,0]=4 438 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 7a_100011220035_200025704644 [1,0,0,0,0,0|3,0,0]=4 439 B10R1.176 [13CH3]Nc1ccc(c(c1)O)Cl 34a_100011934209_200025704644 [1,0,0,0,0,0|3,0,0]=4 440 B10R1.176 [13CH3]Nc1ccc(c(c1)O)F 34a_100012017398_200025704644 [1,0,0,0,0,0|3,0,0]=4 441 B10R1.176 [13CH3]Nc1ccc(c(c1)O)F 7a_100012017398_200025704644 [1,0,0,0,0,0|3,0,0]=4 442 B10R1.176 [13CH3]Nc1ccc(c(c1)O)O 34a_100102946323_200025704644 [1,0,0,0,0,0|2,0,0]=3 443 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_100012361655_200025704644 [1,0,0,0,0,0|3,0,0]=4 444 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_200025704644_100012361655 [1,0,0,0,0,0|3,0,0]=4 445 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_100012360047_200025704644 [1,0,0,0,0,0|3,0,0]=4 446 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_200025704644_100012360047 [1,0,0,0,0,0|3,0,0]=4 447 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_100000185481_200025704644 [1,0,0,0,0,0|3,0,0]=4 448 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_200025704644_100000185481 [1,0,0,0,0,0|3,0,0]=4 449 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_100000752626_200025704644 [1,0,0,0,0,0|3,0,0]=4 450 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_200025704644_100000752626 [1,0,0,0,0,0|3,0,0]=4 451 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Br 62a_100012356990_200025704644 [1,0,0,0,0,0|3,0,0]=4 452 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Br 62a_200025704644_100012356990 [1,0,0,0,0,0|3,0,0]=4 453 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Cl 62a_100011356854_200025704644 [1,0,0,0,0,0|3,0,0]=4 454 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Cl 62a_200025704644_100011356854 [1,0,0,0,0,0|3,0,0]=4 455 B10R1.176 [13CH3]Sc1ccc(c(c1)O)F 62a_100000686035_200025704644 [1,0,0,0,0,0|3,0,0]=4 456 B10R1.176 [13CH3]Sc1ccc(c(c1)O)F 62a_200025704644_100000686035 [1,0,0,0,0,0|3,0,0]=4 457 B10R1.176 [13CH3]Sc1ccc(c(c1)O)N 62a_100000739049_200025704644 [1,0,0,0,0,0|3,0,0]=4 458 B10R1.176 [13CH3]Sc1ccc(c(c1)O)N 62a_200025704644_100000739049 [1,0,0,0,0,0|3,0,0]=4 459 B10R1.176 [13CH3]Sc1ccc(c(c1)O)O 62a_200025704644_100009813601 [1,0,0,0,0,0|2,0,0]=3 460 B12R1.23 CC(C)(C)c1ccc(c(c1)O)O 271570a_203496583355_100010201833 [0,1,0,0,0,0|2,0,1]=4 461 B12R1.23 CC(C)(C)c1ccc(c(c1)O)O 271570a_203496583355_100012359415 [0,1,0,0,0,0|2,0,1]=4 462 B12R1.23 CS(=O)(=O)c1ccc(c(c1)F)O 271570a_203496583355_100010234714 [0,1,0,0,0,0|2,0,1]=4 463 B12R1.23 CS(=O)(=O)c1ccc(c(c1)N)O 271570a_203496583355_200015322649 [0,1,0,0,0,0|2,0,1]=4 464 B12R1.23 CS(=O)(=O)c1ccc(c(c1)O)F 271570a_203496583355_200000048130 [0,1,0,0,0,0|2,0,1]=4 465 B12R1.23 CS(=O)(=O)c1ccc(c(c1)O)N 271570a_203496583355_100000743533 [0,1,0,0,0,0|2,0,1]=4 466 B12R1.23 Cc1cc(ccc1O)S(=O)(=O)C 271570a_203496583355_200010713620 [0,1,0,0,0,0|2,0,1]=4 467 B12R1.23 Cc1cc(ccc1O)S(=O)(=O)N 271570a_203496583355_100000164573 [0,1,0,0,0,0|2,0,1]=4 468 B12R1.23 Cc1ccc(cc1O)S(=O)(=O)C 271570a_203496583355_100010175561 [0,1,0,0,0,0|2,0,1]=4 469 B12R1.23 Cc1ccc(cc1O)S(=O)(=O)N 271570a_203496583355_100011847911 [0,1,0,0,0,0|2,0,1]=4 470 B12R1.23 NS(=O)(=O)c1ccc(c(c1)F)O 271570a_203496583355_100011217219 [0,1,0,0,0,0|2,0,1]=4 471 B12R1.23 NS(=O)(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000164542 [0,1,0,0,0,0|2,0,1]=4 472 B12R1.23 Nc1cc(ccc1O)S(=O)(=O)N 271570a_203496583355_100011222944 [0,1,0,0,0,0|2,0,1]=4 473 B12R1.23 Nc1ccc(cc1O)S(=O)(=O)N 271570a_203496583355_100000736770 [0,1,0,0,0,0|2,0,1]=4 474 B12R1.23 Oc1ccc(cc1O)C(F)(F)F 271570a_203496583355_100010168076 [0,1,0,0,0,0|2,0,1]=4 475 B12R1.23 Oc1ccc(cc1O)C(F)(F)F 271570a_203496583355_100012355671 [0,1,0,0,0,0|2,0,1]=4 476 B12R1.48 C#Cc1ccc(cc1C)C(=O)C 1458a_100013243528_200000210301 [0,1,0,0,0,0|3,0,0]=4 477 B12R1.48 C#Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100013243528_200025704644 [0,1,0,0,0,0|3,0,0]=4 478 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)C 1458a_100014797261_200000210301 [0,1,0,0,0,0|3,0,0]=4 479 B12R1.48 C#Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100014797261_200025704644 [0,1,0,0,0,0|3,0,0]=4 480 B12R1.48 C=C(C)c1cc(c(cn1)OC)O 271570a_100000694244_100010264082 [0,1,0,0,0,0|3,0,0]=4 481 B12R1.48 C=C(C)c1ccc(c(c1)Br)CO 271570a_100000694244_100010240206 [0,1,0,0,0,0|3,0,0]=4 482 B12R1.48 C=C(C)c1ccc(c(c1)Br)OC 271570a_100000694244_100011249507 [0,1,0,0,0,0|3,0,0]=4 483 B12R1.48 C=C(C)c1ccc(c(c1)C)CO 271570a_100000694244_100000748258 [0,1,0,0,0,0|3,0,0]=4 484 B12R1.48 C=C(C)c1ccc(c(c1)C)OC 271570a_100000694244_100011219705 [0,1,0,0,0,0|3,0,0]=4 485 B12R1.48 C=C(C)c1ccc(c(c1)Cl)OC 271570a_100000694244_100012355395 [0,1,0,0,0,0|3,0,0]=4 486 B12R1.48 C=C(C)c1ccc(c(c1)F)CO 271570a_100000694244_100011191541 [0,1,0,0,0,0|3,0,0]=4 487 B12R1.48 C=C(C)c1ccc(c(c1)F)OC 271570a_100000694244_100000185480 [0,1,0,0,0,0|3,0,0]=4 488 B12R1.48 C=C(C)c1ccc(c(c1)N)CO 271570a_100000694244_100000718831 [0,1,0,0,0,0|3,0,0]=4 489 B12R1.48 C=C(C)c1ccc(c(c1)N)OC 271570a_100000694244_100000743470 [0,1,0,0,0,0|3,0,0]=4 490 B12R1.48 C=C(C)c1ccc(c(c1)O)C#N 271570a_100000694244_100011934713 [0,1,0,0,0,0|3,0,0]=4 491 B12R1.48 C=C(C)c1ccc(c(c1)O)C=O 271570a_100000694244_100011277552 [0,1,0,0,0,0|2,0,1]=4 492 B12R1.48 C=C(C)c1ccc(c(c1)O)CO 271570a_100000694244_100000071718 [0,1,0,0,0,0|2,0,0]=3 493 B12R1.48 C=C(C)c1ccc(c(c1)O)OC 271570a_100000694244_100009816560 [0,1,0,0,0,0|2,0,0]=3 494 B12R1.48 C=C(C)c1cnc(c(c1)O)OC 271570a_100000694244_100010135713 [0,1,0,0,0,0|3,0,0]=4 495 B12R1.48 C=Cc1ccc(cc1Br)C(=O)C 271570a_100011290941_100010146554 [0,1,0,0,0,0|3,0,0]=4 496 B12R1.48 C=Cc1ccc(cc1Br)C(=O)N 271570a_100011290941_100009814583 [0,1,0,0,0,0|3,0,0]=4 497 B12R1.48 C=Cc1ccc(cc1C)C(=O)C 271570a_100011290941_100000697869 [0,1,0,0,0,0|3,0,0]=4 498 B12R1.48 C=Cc1ccc(cc1C)C(=O)N 271570a_100011290941_100011218126 [0,1,0,0,0,0|3,0,0]=4 499 B12R1.48 C=Cc1ccc(cc1F)C(=O)C 271570a_100011290941_100000690002 [0,1,0,0,0,0|3,0,0]=4 500 B12R1.48 C=Cc1ccc(cc1F)C(=O)N 271570a_100011290941_100000686215 [0,1,0,0,0,0|3,0,0]=4 501 B12R1.48 C=Cc1ccc(cc1N)C(=O)C 271570a_100011290941_100009816534 [0,1,0,0,0,0|3,0,0]=4 502 B12R1.48 C=Cc1ccc(cc1O)C(=O)N 271570a_100011290941_100012344895 [0,1,0,0,0,0|2,0,0]=3 503 B12R1.48 CC(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200000210301 [0,1,0,0,0,0|3,0,0]=4 504 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100011772453_200025704644 [0,1,0,0,0,0|2,0,0]=3 505 B12R1.48 CC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100011772453_200025704644 [0,1,0,0,0,0|2,0,0]=3 506 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100010146554_200025704644 [0,1,0,0,0,0|2,1,0]=4 507 B12R1.48 CC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100010146554 [0,1,0,0,0,0|2,1,0]=4 508 B12R1.48 CC(=O)c1ccc(c(c1)C)C#N 1458a_100012180287_200000210301 [0,1,0,0,0,0|3,0,0]=4 509 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100000188726_200025704644 [0,1,0,0,0,0|2,0,0]=3 510 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100000188726_200025704644 [0,1,0,0,0,0|2,0,0]=3 511 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100000697869_200025704644 [0,1,0,0,0,0|2,1,0]=4 512 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000697869 [0,1,0,0,0,0|2,1,0]=4 513 B12R1.48 CC(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200000210301 [0,1,0,0,0,0|3,0,0]=4 514 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000188625_200025704644 [0,1,0,0,0,0|2,0,0]=3 515 B12R1.48 CC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000188625_200025704644 [0,1,0,0,0,0|2,0,0]=3 516 B12R1.48 CC(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200000210301 [0,1,0,0,0,0|3,0,0]=4 517 B12R1.48 CC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200000210301 [0,1,0,0,0,0|2,0,0]=3 518 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000751691_200025704644 [0,1,0,0,0,0|2,0,0]=3 519 B12R1.48 CC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000751691_200025704644 [0,1,0,0,0,0|2,0,0]=3 520 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000690002_200025704644 [0,1,0,0,0,0|2,1,0]=4 521 B12R1.48 CC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000690002 [0,1,0,0,0,0|2,1,0]=4 522 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000117292_200025704644 [0,1,0,0,0,0|2,0,0]=3 523 B12R1.48 CC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000117292_200025704644 [0,1,0,0,0,0|2,0,0]=3 524 B12R1.48 CC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100009816534_200025704644 [0,1,0,0,0,0|2,1,0]=4 525 B12R1.48 CCc1ccc(cc1Br)C(=O)C 1458a_100012340589_200000210301 [0,1,0,0,0,0|3,0,0]=4 526 B12R1.48 CCc1ccc(cc1Br)C(=O)[13CH3] 1458a_100012340589_200025704644 [0,1,0,0,0,0|3,0,0]=4 527 B12R1.48 CCc1ccc(cc1O)C(=O)C 1458a_100000089006_200000210301 [0,1,0,0,0,0|2,0,0]=3 528 B12R1.48 CCc1ccc(cc1O)C(=O)[13CH3] 1458a_100000089006_200025704644 [0,1,0,0,0,0|2,0,0]=3 529 B12R1.48 CNc1ccc(cc1Br)C(=O)N 27a_100102657272_100009814583 [0,1,0,0,0,0|3,0,0]=4 530 B12R1.48 CNc1ccc(cc1C)C(=O)N 27a_100102657272_100011218126 [0,1,0,0,0,0|3,0,0]=4 531 B12R1.48 CNc1ccc(cc1C)C(=O)N 34a_100000746439_200000210301 [0,1,0,0,0,0|3,0,0]=4 532 B12R1.48 CNc1ccc(cc1C)C(=O)N 7a_100000746439_200000210301 [0,1,0,0,0,0|3,0,0]=4 533 B12R1.48 CNc1ccc(cc1F)C(=O)N 27a_100102657272_100000686215 [0,1,0,0,0,0|3,0,0]=4 534 B12R1.48 COc1ccc(cc1Br)C(=O)C 1458a_100000187947_200000210301 [0,1,0,0,0,0|2,0,0]=3 535 B12R1.48 COc1ccc(cc1Br)C(=O)C 34a_100011772453_200000210301 [0,1,0,0,0,0|2,0,0]=3 536 B12R1.48 COc1ccc(cc1Br)C(=O)C 7a_100011772453_200000210301 [0,1,0,0,0,0|2,0,0]=3 537 B12R1.48 COc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000187947_200025704644 [0,1,0,0,0,0|2,0,0]=3 538 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200000210301 [0,1,0,0,0,0|2,0,1]=4 539 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200000210301 [0,1,0,0,0,0|2,0,1]=4 540 B12R1.48 COc1ccc(cc1C)C(=O)C 1458a_100011202886_200000210301 [0,1,0,0,0,0|2,0,0]=3 541 B12R1.48 COc1ccc(cc1C)C(=O)C 34a_100000188726_200000210301 [0,1,0,0,0,0|2,0,0]=3 542 B12R1.48 COc1ccc(cc1C)C(=O)C 7a_100000188726_200000210301 [0,1,0,0,0,0|2,0,0]=3 543 B12R1.48 COc1ccc(cc1C)C(=O)[13CH3] 1458a_100011202886_200025704644 [0,1,0,0,0,0|2,0,0]=3 544 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_200000210301 [0,1,0,0,0,0|2,0,1]=4 545 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_200000210301 [0,1,0,0,0,0|2,0,1]=4 546 B12R1.48 COc1ccc(cc1Cl)C(=O)C 1458a_100000188346_200000210301 [0,1,0,0,0,0|2,0,0]=3 547 B12R1.48 COc1ccc(cc1Cl)C(=O)C 34a_100000188625_200000210301 [0,1,0,0,0,0|2,0,0]=3 548 B12R1.48 COc1ccc(cc1Cl)C(=O)C 7a_100000188625_200000210301 [0,1,0,0,0,0|2,0,0]=3 549 B12R1.48 COc1ccc(cc1Cl)C(=O)N 34a_200000192832_200000210301 [0,1,0,0,0,0|2,0,0]=3 550 B12R1.48 COc1ccc(cc1Cl)C(=O)N 7a_200000192832_200000210301 [0,1,0,0,0,0|2,0,0]=3 551 B12R1.48 COc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000188346_200025704644 [0,1,0,0,0,0|2,0,0]=3 552 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200000210301 [0,1,0,0,0,0|2,0,1]=4 553 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200000210301 [0,1,0,0,0,0|2,0,1]=4 554 B12R1.48 COc1ccc(cc1F)C(=O)C 1458a_100000186160_200000210301 [0,1,0,0,0,0|2,0,0]=3 555 B12R1.48 COc1ccc(cc1F)C(=O)C 34a_100000751691_200000210301 [0,1,0,0,0,0|2,0,0]=3 556 B12R1.48 COc1ccc(cc1F)C(=O)C 7a_100000751691_200000210301 [0,1,0,0,0,0|2,0,0]=3 557 B12R1.48 COc1ccc(cc1F)C(=O)[13CH3] 1458a_100000186160_200025704644 [0,1,0,0,0,0|2,0,0]=3 558 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200000210301 [0,1,0,0,0,0|2,0,1]=4 559 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200000210301 [0,1,0,0,0,0|2,0,1]=4 560 B12R1.48 COc1ccc(cc1I)C(=O)C 1458a_100000188716_200000210301 [0,1,0,0,0,0|2,0,0]=3 561 B12R1.48 COc1ccc(cc1I)C(=O)[13CH3] 1458a_100000188716_200025704644 [0,1,0,0,0,0|2,0,0]=3 562 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200000210301 [0,1,0,0,0,0|2,0,1]=4 563 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200000210301 [0,1,0,0,0,0|2,0,1]=4 564 B12R1.48 COc1ccc(cc1N)C(=O)C 34a_100000117292_200000210301 [0,1,0,0,0,0|2,0,0]=3 565 B12R1.48 COc1ccc(cc1N)C(=O)C 7a_100000117292_200000210301 [0,1,0,0,0,0|2,0,0]=3 566 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200000210301 [0,1,0,0,0,0|2,0,1]=4 567 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200000210301 [0,1,0,0,0,0|2,0,1]=4 568 B12R1.48 COc1ccc(cc1O)C(=O)C 1458a_100000766810_200000210301 [0,1,0,0,0,0|1,0,0]=2 569 B12R1.48 COc1ccc(cc1O)C(=O)C 271570a_203496583355_100000185153 [0,1,0,0,0,0|1,0,0]=2 570 B12R1.48 COc1ccc(cc1O)C(=O)[13CH3] 1458a_100000766810_200025704644 [0,1,0,0,0,0|1,0,0]=2 571 B12R1.48 COc1ccc(cc1O)C(C)O 271570a_203496583355_100000246541 [0,1,0,0,0,0|1,0,1]=3 572 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_100010146554_200000210301 [0,1,0,0,0,0|2,1,0]=4 573 B12R1.48 CSc1ccc(cc1Br)C(=O)C 62a_200000210301_100010146554 [0,1,0,0,0,0|2,1,0]=4 574 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_100009814583_200000210301 [0,1,0,0,0,0|2,1,0]=4 575 B12R1.48 CSc1ccc(cc1Br)C(=O)N 62a_200000210301_100009814583 [0,1,0,0,0,0|2,1,0]=4 576 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_100000697869_200000210301 [0,1,0,0,0,0|2,1,0]=4 577 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_200000210301_100000697869 [0,1,0,0,0,0|2,1,0]=4 578 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_100011218126_200000210301 [0,1,0,0,0,0|2,1,0]=4 579 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_200000210301_100011218126 [0,1,0,0,0,0|2,1,0]=4 580 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_100000690002_200000210301 [0,1,0,0,0,0|2,1,0]=4 581 B12R1.48 CSc1ccc(cc1F)C(=O)C 62a_200000210301_100000690002 [0,1,0,0,0,0|2,1,0]=4 582 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_100000686215_200000210301 [0,1,0,0,0,0|2,1,0]=4 583 B12R1.48 CSc1ccc(cc1F)C(=O)N 62a_200000210301_100000686215 [0,1,0,0,0,0|2,1,0]=4 584 B12R1.48 CSc1ccc(cc1N)C(=O)C 62a_100009816534_200000210301 [0,1,0,0,0,0|2,1,0]=4 585 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_100012344895_200000210301 [0,1,0,0,0,0|1,1,0]=3 586 B12R1.48 CSc1ccc(cc1O)C(=O)N 62a_200000210301_100012344895 [0,1,0,0,0,0|1,1,0]=3 587 B12R1.48 Cc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100012180287_200025704644 [0,1,0,0,0,0|3,0,0]=4 588 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 34a_100000746439_200025704644 [0,1,0,0,0,0|3,0,0]=4 589 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 7a_100000746439_200025704644 [0,1,0,0,0,0|3,0,0]=4 590 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000744956_200025704644 [0,1,0,0,0,0|2,0,1]=4 591 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000744956_200025704644 [0,1,0,0,0,0|2,0,1]=4 592 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_100011218126_200025704644 [0,1,0,0,0,0|2,1,0]=4 593 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_200025704644_100011218126 [0,1,0,0,0,0|2,1,0]=4 594 B12R1.48 N#Cc1ccc(cc1O)B(O)O 271570a_203496583355_200000103754 [0,1,0,0,0,0|2,0,1]=4 595 B12R1.48 O=Cc1ccc(cc1O)B(O)O 271570a_203496583355_100000062204 [0,1,0,0,0,0|1,0,2]=4 596 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Br)C#N 1458a_100012355661_200025704644 [0,1,0,0,0,0|3,0,0]=4 597 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)Cl)C#N 1458a_100000694585_200025704644 [0,1,0,0,0,0|3,0,0]=4 598 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)C#N 1458a_100011217213_200025704644 [0,1,0,0,0,0|3,0,0]=4 599 B12R1.48 [13CH3]C(=O)c1ccc(c(c1)F)CO 1458a_100000687192_200025704644 [0,1,0,0,0,0|2,0,0]=3 600 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 34a_100000756651_200025704644 [0,1,0,0,0,0|2,0,1]=4 601 B12R1.48 [13CH3]Oc1ccc(cc1Br)[N+](=O)[O-] 7a_100000756651_200025704644 [0,1,0,0,0,0|2,0,1]=4 602 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 34a_200000192832_200025704644 [0,1,0,0,0,0|2,0,0]=3 603 B12R1.48 [13CH3]Oc1ccc(cc1Cl)C(=O)N 7a_200000192832_200025704644 [0,1,0,0,0,0|2,0,0]=3 604 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 34a_100000206008_200025704644 [0,1,0,0,0,0|2,0,1]=4 605 B12R1.48 [13CH3]Oc1ccc(cc1Cl)[N+](=O)[O-] 7a_100000206008_200025704644 [0,1,0,0,0,0|2,0,1]=4 606 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 34a_100000739697_200025704644 [0,1,0,0,0,0|2,0,1]=4 607 B12R1.48 [13CH3]Oc1ccc(cc1F)[N+](=O)[O-] 7a_100000739697_200025704644 [0,1,0,0,0,0|2,0,1]=4 608 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 34a_100012047213_200025704644 [0,1,0,0,0,0|2,0,1]=4 609 B12R1.48 [13CH3]Oc1ccc(cc1I)[N+](=O)[O-] 7a_100012047213_200025704644 [0,1,0,0,0,0|2,0,1]=4 610 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 34a_100000181223_200025704644 [0,1,0,0,0,0|2,0,1]=4 611 B12R1.48 [13CH3]Oc1ccc(cc1N)[N+](=O)[O-] 7a_100000181223_200025704644 [0,1,0,0,0,0|2,0,1]=4 612 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_100009814583_200025704644 [0,1,0,0,0,0|2,1,0]=4 613 B12R1.48 [13CH3]Sc1ccc(cc1Br)C(=O)N 62a_200025704644_100009814583 [0,1,0,0,0,0|2,1,0]=4 614 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_100000686215_200025704644 [0,1,0,0,0,0|2,1,0]=4 615 B12R1.48 [13CH3]Sc1ccc(cc1F)C(=O)N 62a_200025704644_100000686215 [0,1,0,0,0,0|2,1,0]=4 616 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_100012344895_200025704644 [0,1,0,0,0,0|1,1,0]=3 617 B12R1.48 [13CH3]Sc1ccc(cc1O)C(=O)N 62a_200025704644_100012344895 [0,1,0,0,0,0|1,1,0]=3 618 B12R1.56 C#Cc1cc(ccc1C)C(=O)C 1458a_200012278110_200000210301 [0,1,0,0,0,0|3,0,0]=4 619 B12R1.56 C#Cc1cc(ccc1C)C(=O)[13CH3] 1458a_200012278110_200025704644 [0,1,0,0,0,0|3,0,0]=4 620 B12R1.56 C=C(C)c1ccc(c(c1)C#N)O 271570a_100000694244_100000687585 [0,1,0,0,0,0|3,0,0]=4 621 B12R1.56 C=C(C)c1ccc(c(c1)C=O)O 271570a_100000694244_100000186750 [0,1,0,0,0,0|2,0,1]=4 622 B12R1.56 C=C(C)c1ccc(c(c1)CC)O 271570a_100000694244_100012338938 [0,1,0,0,0,0|3,0,0]=4 623 B12R1.56 C=C(C)c1ccc(c(c1)CN)O 271570a_100000694244_100000730032 [0,1,0,0,0,0|3,0,0]=4 624 B12R1.56 C=C(C)c1ccc(c(c1)CO)Br 271570a_100000694244_100012359683 [0,1,0,0,0,0|3,0,0]=4 625 B12R1.56 C=C(C)c1ccc(c(c1)CO)C 271570a_100000694244_100000700630 [0,1,0,0,0,0|3,0,0]=4 626 B12R1.56 C=C(C)c1ccc(c(c1)CO)Cl 271570a_100000694244_100010128486 [0,1,0,0,0,0|3,0,0]=4 627 B12R1.56 C=C(C)c1ccc(c(c1)CO)F 271570a_100000694244_100000049604 [0,1,0,0,0,0|3,0,0]=4 628 B12R1.56 C=C(C)c1ccc(c(c1)CO)N 271570a_100000694244_100012353972 [0,1,0,0,0,0|3,0,0]=4 629 B12R1.56 C=C(C)c1ccc(c(c1)CO)O 271570a_100000694244_100000184703 [0,1,0,0,0,0|2,0,0]=3 630 B12R1.56 C=C(C)c1ccc(c(c1)OC)Br 271570a_100000694244_100012353699 [0,1,0,0,0,0|3,0,0]=4 631 B12R1.56 C=C(C)c1ccc(c(c1)OC)C 271570a_100000694244_100011830276 [0,1,0,0,0,0|3,0,0]=4 632 B12R1.56 C=C(C)c1ccc(c(c1)OC)Cl 271570a_100000694244_100011356853 [0,1,0,0,0,0|3,0,0]=4 633 B12R1.56 C=C(C)c1ccc(c(c1)OC)F 271570a_100000694244_100011934186 [0,1,0,0,0,0|3,0,0]=4 634 B12R1.56 C=C(C)c1ccc(c(c1)OC)N 271570a_100000694244_100011279103 [0,1,0,0,0,0|3,0,0]=4 635 B12R1.56 C=C(C)c1ccc(c(c1)OC)O 271570a_100000694244_100000694246 [0,1,0,0,0,0|2,0,0]=3 636 B12R1.56 C=C(C)c1ccc(c(n1)OC)O 271570a_100000694244_100010893133 [0,1,0,0,0,0|3,0,0]=4 637 B12R1.56 C=C(C)c1cnc(c(c1)CO)O 271570a_100000694244_100010065268 [0,1,0,0,0,0|3,0,0]=4 638 B12R1.56 C=Cc1cc(ccc1Br)C(=O)C 271570a_100011290941_100010146556 [0,1,0,0,0,0|3,0,0]=4 639 B12R1.56 C=Cc1cc(ccc1C)C(=O)C 271570a_100011290941_100011934287 [0,1,0,0,0,0|3,0,0]=4 640 B12R1.56 C=Cc1cc(ccc1C)C(=O)N 271570a_100011290941_100000186401 [0,1,0,0,0,0|3,0,0]=4 641 B12R1.56 C=Cc1cc(ccc1F)C(=O)C 271570a_100011290941_100000239719 [0,1,0,0,0,0|3,0,0]=4 642 B12R1.56 C=Cc1cc(ccc1F)C(=O)N 271570a_100011290941_100011202321 [0,1,0,0,0,0|3,0,0]=4 643 B12R1.56 C=Cc1cc(ccc1N)C(=O)C 271570a_100011290941_100012029215 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.56 C=Cc1cc(ccc1O)C(=O)C 271570a_100011290941_100011772453 [0,1,0,0,0,0|2,0,0]=3 645 B12R1.56 CC(=O)c1ccc(c(c1)C#N)Br 1458a_100010253904_200000210301 [0,1,0,0,0,0|3,0,0]=4 646 B12R1.56 CC(=O)c1ccc(c(c1)C#N)Cl 1458a_100000696165_200000210301 [0,1,0,0,0,0|3,0,0]=4 647 B12R1.56 CC(=O)c1ccc(c(c1)C#N)F 1458a_100000697239_200000210301 [0,1,0,0,0,0|3,0,0]=4 648 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200000210301 [0,1,0,0,0,0|2,0,0]=3 649 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010125495 [0,1,0,0,0,0|2,0,0]=3 650 B12R1.56 CC(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200000210301 [0,1,0,0,0,0|2,0,0]=3 651 B12R1.56 CC(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200000210301 [0,1,0,0,0,0|2,0,0]=3 652 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [0,1,0,0,0,0|2,0,0]=3 653 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [0,1,0,0,0,0|2,0,0]=3 654 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [0,1,0,0,0,0|2,0,0]=3 655 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [0,1,0,0,0,0|2,0,0]=3 656 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100010146556_200025704644 [0,1,0,0,0,0|2,1,0]=4 657 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100010146556 [0,1,0,0,0,0|2,1,0]=4 658 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_100011934287_200025704644 [0,1,0,0,0,0|2,1,0]=4 659 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100011934287 [0,1,0,0,0,0|2,1,0]=4 660 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000239719_200025704644 [0,1,0,0,0,0|2,1,0]=4 661 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000239719 [0,1,0,0,0,0|2,1,0]=4 662 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])N 62a_100012029215_200025704644 [0,1,0,0,0,0|2,1,0]=4 663 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [0,1,0,0,0,0|1,1,0]=3 664 B12R1.56 CCc1cc(ccc1Br)C(=O)C 1458a_100010152358_200000210301 [0,1,0,0,0,0|3,0,0]=4 665 B12R1.56 CCc1cc(ccc1Br)C(=O)[13CH3] 1458a_100010152358_200025704644 [0,1,0,0,0,0|3,0,0]=4 666 B12R1.56 CCc1cc(ccc1Cl)C(=O)C 1458a_100000102533_200000210301 [0,1,0,0,0,0|3,0,0]=4 667 B12R1.56 CCc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000102533_200025704644 [0,1,0,0,0,0|3,0,0]=4 668 B12R1.56 CCc1cc(ccc1F)C(=O)C 1458a_100009883079_200000210301 [0,1,0,0,0,0|3,0,0]=4 669 B12R1.56 CCc1cc(ccc1F)C(=O)[13CH3] 1458a_100009883079_200025704644 [0,1,0,0,0,0|3,0,0]=4 670 B12R1.56 CNc1cc(ccc1C)C(=O)N 34a_100000188646_200000210301 [0,1,0,0,0,0|3,0,0]=4 671 B12R1.56 CNc1cc(ccc1C)C(=O)N 7a_100000188646_200000210301 [0,1,0,0,0,0|3,0,0]=4 672 B12R1.56 CNc1cc(ccc1Cl)C(=O)N 34a_100000736751_200000210301 [0,1,0,0,0,0|3,0,0]=4 673 B12R1.56 CNc1cc(ccc1F)C(=O)N 34a_100000740466_200000210301 [0,1,0,0,0,0|3,0,0]=4 674 B12R1.56 CNc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200000210301 [0,1,0,0,0,0|2,0,1]=4 675 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [0,1,0,0,0,0|2,0,0]=3 676 B12R1.56 COc1cc(ccc1Br)C(=O)N 34a_100012344895_200000210301 [0,1,0,0,0,0|2,0,0]=3 677 B12R1.56 COc1cc(ccc1Br)C(=O)N 7a_100012344895_200000210301 [0,1,0,0,0,0|2,0,0]=3 678 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [0,1,0,0,0,0|2,0,0]=3 679 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200000210301 [0,1,0,0,0,0|2,0,1]=4 680 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200000210301 [0,1,0,0,0,0|2,0,1]=4 681 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [0,1,0,0,0,0|2,0,0]=3 682 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [0,1,0,0,0,0|2,0,0]=3 683 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [0,1,0,0,0,0|2,0,0]=3 684 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [0,1,0,0,0,0|2,0,0]=3 685 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_200000210301 [0,1,0,0,0,0|2,0,1]=4 686 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_200000210301 [0,1,0,0,0,0|2,0,1]=4 687 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [0,1,0,0,0,0|2,0,0]=3 688 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [0,1,0,0,0,0|2,0,0]=3 689 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200000210301 [0,1,0,0,0,0|2,0,1]=4 690 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200000210301 [0,1,0,0,0,0|2,0,1]=4 691 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [0,1,0,0,0,0|2,0,0]=3 692 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [0,1,0,0,0,0|2,0,0]=3 693 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [0,1,0,0,0,0|2,0,0]=3 694 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [0,1,0,0,0,0|2,0,0]=3 695 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200000210301 [0,1,0,0,0,0|2,0,1]=4 696 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200000210301 [0,1,0,0,0,0|2,0,1]=4 697 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [0,1,0,0,0,0|2,0,0]=3 698 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [0,1,0,0,0,0|2,0,0]=3 699 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200000210301 [0,1,0,0,0,0|2,0,1]=4 700 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200000210301 [0,1,0,0,0,0|2,0,1]=4 701 B12R1.56 COc1cc(ccc1N)C(=O)N 34a_100011850428_200000210301 [0,1,0,0,0,0|2,0,0]=3 702 B12R1.56 COc1cc(ccc1N)C(=O)N 7a_100011850428_200000210301 [0,1,0,0,0,0|2,0,0]=3 703 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200000210301 [0,1,0,0,0,0|2,0,1]=4 704 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200000210301 [0,1,0,0,0,0|2,0,1]=4 705 B12R1.56 COc1cc(ccc1O)B(O)O 271570a_203496583355_100012355544 [0,1,0,0,0,0|1,0,1]=3 706 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [0,1,0,0,0,0|1,0,0]=2 707 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [0,1,0,0,0,0|1,0,0]=2 708 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [0,1,0,0,0,0|1,0,0]=2 709 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [0,1,0,0,0,0|1,0,0]=2 710 B12R1.56 COc1cc(ccc1O)C(C)C 271570a_203496583355_100021623167 [0,1,0,0,0,0|2,0,1]=4 711 B12R1.56 COc1cc(cnc1O)B(O)O 271570a_203496583355_100009846025 [0,1,0,0,0,0|2,0,1]=4 712 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_100010146556_200000210301 [0,1,0,0,0,0|2,1,0]=4 713 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_200000210301_100010146556 [0,1,0,0,0,0|2,1,0]=4 714 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_100011934287_200000210301 [0,1,0,0,0,0|2,1,0]=4 715 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_200000210301_100011934287 [0,1,0,0,0,0|2,1,0]=4 716 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_100000186401_200000210301 [0,1,0,0,0,0|2,1,0]=4 717 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_200000210301_100000186401 [0,1,0,0,0,0|2,1,0]=4 718 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_100000239719_200000210301 [0,1,0,0,0,0|2,1,0]=4 719 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_200000210301_100000239719 [0,1,0,0,0,0|2,1,0]=4 720 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_100011202321_200000210301 [0,1,0,0,0,0|2,1,0]=4 721 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_200000210301_100011202321 [0,1,0,0,0,0|2,1,0]=4 722 B12R1.56 CSc1cc(ccc1N)C(=O)C 62a_100012029215_200000210301 [0,1,0,0,0,0|2,1,0]=4 723 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [0,1,0,0,0,0|1,1,0]=3 724 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 34a_100000188646_200025704644 [0,1,0,0,0,0|3,0,0]=4 725 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 7a_100000188646_200025704644 [0,1,0,0,0,0|3,0,0]=4 726 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000740739_200025704644 [0,1,0,0,0,0|2,0,1]=4 727 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000740739_200025704644 [0,1,0,0,0,0|2,0,1]=4 728 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_100000186401_200025704644 [0,1,0,0,0,0|2,1,0]=4 729 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_200025704644_100000186401 [0,1,0,0,0,0|2,1,0]=4 730 B12R1.56 N#Cc1cc(ccc1O)B(O)O 271570a_203496583355_100000049296 [0,1,0,0,0,0|2,0,1]=4 731 B12R1.56 O=Cc1cc(ccc1O)B(O)O 271570a_203496583355_200011083945 [0,1,0,0,0,0|1,0,2]=4 732 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)Br 1458a_100010253904_200025704644 [0,1,0,0,0,0|3,0,0]=4 733 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)Cl 1458a_100000696165_200025704644 [0,1,0,0,0,0|3,0,0]=4 734 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)F 1458a_100000697239_200025704644 [0,1,0,0,0,0|3,0,0]=4 735 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200025704644 [0,1,0,0,0,0|2,0,0]=3 736 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200025704644 [0,1,0,0,0,0|2,0,0]=3 737 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200025704644 [0,1,0,0,0,0|2,0,0]=3 738 B12R1.56 [13CH3]Nc1cc(ccc1Cl)C(=O)N 34a_100000736751_200025704644 [0,1,0,0,0,0|3,0,0]=4 739 B12R1.56 [13CH3]Nc1cc(ccc1F)C(=O)N 34a_100000740466_200025704644 [0,1,0,0,0,0|3,0,0]=4 740 B12R1.56 [13CH3]Nc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200025704644 [0,1,0,0,0,0|2,0,1]=4 741 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 34a_100012344895_200025704644 [0,1,0,0,0,0|2,0,0]=3 742 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 7a_100012344895_200025704644 [0,1,0,0,0,0|2,0,0]=3 743 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200025704644 [0,1,0,0,0,0|2,0,1]=4 744 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200025704644 [0,1,0,0,0,0|2,0,1]=4 745 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200025704644 [0,1,0,0,0,0|2,0,1]=4 746 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200025704644 [0,1,0,0,0,0|2,0,1]=4 747 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200025704644 [0,1,0,0,0,0|2,0,1]=4 748 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200025704644 [0,1,0,0,0,0|2,0,1]=4 749 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200025704644 [0,1,0,0,0,0|2,0,1]=4 750 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200025704644 [0,1,0,0,0,0|2,0,1]=4 751 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 34a_100011850428_200025704644 [0,1,0,0,0,0|2,0,0]=3 752 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 7a_100011850428_200025704644 [0,1,0,0,0,0|2,0,0]=3 753 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200025704644 [0,1,0,0,0,0|2,0,1]=4 754 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200025704644 [0,1,0,0,0,0|2,0,1]=4 755 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_100011202321_200025704644 [0,1,0,0,0,0|2,1,0]=4 756 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_200025704644_100011202321 [0,1,0,0,0,0|2,1,0]=4 757 B12R1.232 C=C(C)c1cc(c(cc1Br)Cl)O 271570a_100000694244_100021297947 [0,1,0,0,0,0|3,0,0]=4 758 B12R1.232 C=C(C)c1cc(c(cc1C)F)O 271570a_100000694244_100010068922 [0,1,0,0,0,0|3,0,0]=4 759 B12R1.232 C=C(C)c1cc(c(cc1C)N)O 271570a_100000694244_200010107346 [0,1,0,0,0,0|3,0,0]=4 760 B12R1.232 C=C(C)c1cc(c(cc1C)O)C 271570a_100000694244_100000698207 [0,1,0,0,0,0|3,0,0]=4 761 B12R1.232 C=C(C)c1cc(c(cc1C)O)F 271570a_100000694244_100012355673 [0,1,0,0,0,0|3,0,0]=4 762 B12R1.232 C=C(C)c1cc(c(cc1C)O)N 271570a_100000694244_200010235796 [0,1,0,0,0,0|3,0,0]=4 763 B12R1.232 C=C(C)c1cc(c(cc1Cl)O)N 271570a_100000694244_100011011175 [0,1,0,0,0,0|3,0,0]=4 764 B12R1.232 C=C(C)c1cc(c(cc1F)C)O 271570a_100000694244_100014242602 [0,1,0,0,0,0|3,0,0]=4 765 B12R1.232 C=C(C)c1cc(c(cc1F)Cl)O 271570a_100000694244_100010735246 [0,1,0,0,0,0|3,0,0]=4 766 B12R1.232 C=C(C)c1cc(c(cc1F)F)O 271570a_100000694244_100012457948 [0,1,0,0,0,0|3,0,0]=4 767 B12R1.232 C=C(C)c1cc(c(cc1F)N)O 271570a_100000694244_100013038943 [0,1,0,0,0,0|3,0,0]=4 768 B12R1.232 C=C(C)c1cc(c(cc1F)O)F 271570a_100000694244_100011830439 [0,1,0,0,0,0|3,0,0]=4 769 B12R1.232 C=C(C)c1cc(c(cc1F)O)N 271570a_100000694244_100012359894 [0,1,0,0,0,0|3,0,0]=4 770 B12R1.232 CC(=O)c1cc(c(cc1Br)C)F 1458a_200012355688_200000210301 [0,1,0,0,0,0|3,0,0]=4 771 B12R1.232 CC(=O)c1cc(c(cc1Br)F)C 1458a_100010204433_200000210301 [0,1,0,0,0,0|3,0,0]=4 772 B12R1.232 CC(=O)c1cc(c(cc1Br)F)Cl 1458a_100012921620_200000210301 [0,1,0,0,0,0|3,0,0]=4 773 B12R1.232 CC(=O)c1cc(c(cc1Br)F)F 1458a_100000685074_200000210301 [0,1,0,0,0,0|3,0,0]=4 774 B12R1.232 CC(=O)c1cc(c(cc1C)Br)C 1458a_100000695896_200000210301 [0,1,0,0,0,0|3,0,0]=4 775 B12R1.232 CC(=O)c1cc(c(cc1C)Br)F 1458a_100012344525_200000210301 [0,1,0,0,0,0|3,0,0]=4 776 B12R1.232 CC(=O)c1cc(c(cc1C)C)Br 1458a_100012920494_200000210301 [0,1,0,0,0,0|3,0,0]=4 777 B12R1.232 CC(=O)c1cc(c(cc1C)C)C 1458a_100011216168_200000210301 [0,1,0,0,0,0|3,0,0]=4 778 B12R1.232 CC(=O)c1cc(c(cc1C)C)I 1458a_100000723791_200000210301 [0,1,0,0,0,0|3,0,0]=4 779 B12R1.232 CC(=O)c1cc(c(cc1C)Cl)Cl 1458a_100010439669_200000210301 [0,1,0,0,0,0|3,0,0]=4 780 B12R1.232 CC(=O)c1cc(c(cc1C)Cl)F 1458a_200010768543_200000210301 [0,1,0,0,0,0|3,0,0]=4 781 B12R1.232 CC(=O)c1cc(c(cc1C)F)Br 1458a_100000724332_200000210301 [0,1,0,0,0,0|3,0,0]=4 782 B12R1.232 CC(=O)c1cc(c(cc1C)F)F 1458a_100000062099_200000210301 [0,1,0,0,0,0|3,0,0]=4 783 B12R1.232 CC(=O)c1cc(c(cc1C)F)I 1458a_100013328184_200000210301 [0,1,0,0,0,0|3,0,0]=4 784 B12R1.232 CC(=O)c1cc(c(cc1Cl)Br)Cl 1458a_100000246132_200000210301 [0,1,0,0,0,0|3,0,0]=4 785 B12R1.232 CC(=O)c1cc(c(cc1Cl)Br)F 1458a_100000724438_200000210301 [0,1,0,0,0,0|3,0,0]=4 786 B12R1.232 CC(=O)c1cc(c(cc1Cl)C)Cl 1458a_100013033594_200000210301 [0,1,0,0,0,0|3,0,0]=4 787 B12R1.232 CC(=O)c1cc(c(cc1Cl)C)F 1458a_100009857485_200000210301 [0,1,0,0,0,0|3,0,0]=4 788 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)Cl 1458a_100011934218_200000210301 [0,1,0,0,0,0|3,0,0]=4 789 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)F 1458a_100000212284_200000210301 [0,1,0,0,0,0|3,0,0]=4 790 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)C 1458a_100000687843_200000210301 [0,1,0,0,0,0|3,0,0]=4 791 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)F 1458a_100025704182_200000210301 [0,1,0,0,0,0|3,0,0]=4 792 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)I 1458a_100012920486_200000210301 [0,1,0,0,0,0|3,0,0]=4 793 B12R1.232 CC(=O)c1cc(c(cc1F)Br)Br 1458a_200011217225_200000210301 [0,1,0,0,0,0|3,0,0]=4 794 B12R1.232 CC(=O)c1cc(c(cc1F)Br)C 1458a_100012354683_200000210301 [0,1,0,0,0,0|3,0,0]=4 795 B12R1.232 CC(=O)c1cc(c(cc1F)Br)Cl 1458a_100012347732_200000210301 [0,1,0,0,0,0|3,0,0]=4 796 B12R1.232 CC(=O)c1cc(c(cc1F)Br)F 1458a_100012024349_200000210301 [0,1,0,0,0,0|3,0,0]=4 797 B12R1.232 CC(=O)c1cc(c(cc1F)C)Br 1458a_100012920545_200000210301 [0,1,0,0,0,0|3,0,0]=4 798 B12R1.232 CC(=O)c1cc(c(cc1F)C)Cl 1458a_100012180961_200000210301 [0,1,0,0,0,0|3,0,0]=4 799 B12R1.232 CC(=O)c1cc(c(cc1F)C)F 1458a_100000686409_200000210301 [0,1,0,0,0,0|3,0,0]=4 800 B12R1.232 CC(=O)c1cc(c(cc1F)C)O 1458a_100009839767_200000210301 [0,1,0,0,0,0|2,0,0]=3 801 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)Br 1458a_100011217226_200000210301 [0,1,0,0,0,0|3,0,0]=4 802 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)Cl 1458a_100011217469_200000210301 [0,1,0,0,0,0|3,0,0]=4 803 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)F 1458a_100000690020_200000210301 [0,1,0,0,0,0|3,0,0]=4 804 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)I 1458a_100012920488_200000210301 [0,1,0,0,0,0|3,0,0]=4 805 B12R1.232 CC(=O)c1cc(c(cc1F)F)Br 1458a_100000718434_200000210301 [0,1,0,0,0,0|3,0,0]=4 806 B12R1.232 CC(=O)c1cc(c(cc1F)F)C 1458a_100000767126_200000210301 [0,1,0,0,0,0|3,0,0]=4 807 B12R1.232 CC(=O)c1cc(c(cc1F)F)Cl 1458a_100011997751_200000210301 [0,1,0,0,0,0|3,0,0]=4 808 B12R1.232 CC(=O)c1cc(c(cc1F)F)F 1458a_100000687535_200000210301 [0,1,0,0,0,0|3,0,0]=4 809 B12R1.232 CC(=O)c1cc(c(cc1F)F)I 1458a_100000691139_200000210301 [0,1,0,0,0,0|3,0,0]=4 810 B12R1.232 CC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100009817148 [0,1,0,0,0,0|2,0,0]=3 811 B12R1.232 CC(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200000210301 [0,1,0,0,0,0|2,0,0]=3 812 B12R1.232 CC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100012024335 [0,1,0,0,0,0|2,0,0]=3 813 B12R1.232 CC(=O)c1cc(c(cc1I)C)C 1458a_100010184404_200000210301 [0,1,0,0,0,0|3,0,0]=4 814 B12R1.232 CC(=O)c1cc(c(cc1I)F)F 1458a_100000688017_200000210301 [0,1,0,0,0,0|3,0,0]=4 815 B12R1.232 CC(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_200000210301 [0,1,0,0,0,0|3,0,0]=4 816 B12R1.232 CC(=O)c1cc(c(cc1O)C)Br 1458a_100010233826_200000210301 [0,1,0,0,0,0|3,0,0]=4 817 B12R1.232 CC(=O)c1cc(c(cc1O)C)C 1458a_100009831561_200000210301 [0,1,0,0,0,0|3,0,0]=4 818 B12R1.232 CC(=O)c1cc(c(cc1O)C)O 271570a_203496583355_200010233951 [0,1,0,0,0,0|2,0,0]=3 819 B12R1.232 CC(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_200000210301 [0,1,0,0,0,0|3,0,0]=4 820 B12R1.232 CC(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_200000210301 [0,1,0,0,0,0|3,0,0]=4 821 B12R1.232 CC(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_200000210301 [0,1,0,0,0,0|3,0,0]=4 822 B12R1.232 CC(=O)c1cc(c(cc1O)F)F 1458a_100012182723_200000210301 [0,1,0,0,0,0|3,0,0]=4 823 B12R1.232 CC(=O)c1cc(c(cc1O)F)F 271570a_203496583355_100013243444 [0,1,0,0,0,0|3,0,0]=4 824 B12R1.232 CC(=O)c1cc(c(cc1O)F)O 271570a_203496583355_100000691652 [0,1,0,0,0,0|2,0,0]=3 825 B12R1.232 CC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200000210301 [0,1,0,0,0,0|2,0,0]=3 826 B12R1.232 CC(=O)c1cc(c(cc1O)O)C 271570a_203496583355_100009816031 [0,1,0,0,0,0|2,0,0]=3 827 B12R1.232 CC(=O)c1cc(c(cc1O)O)F 271570a_203496583355_200010245088 [0,1,0,0,0,0|2,0,0]=3 828 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])C 1458a_100012920494_200025704644 [0,1,0,0,0,0|3,0,0]=4 829 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])F 1458a_100012920545_200025704644 [0,1,0,0,0,0|3,0,0]=4 830 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])O 1458a_100010233826_200025704644 [0,1,0,0,0,0|3,0,0]=4 831 B12R1.232 Cc1cc(c(cc1Br)C)C(=O)[13CH3] 1458a_100000695896_200025704644 [0,1,0,0,0,0|3,0,0]=4 832 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)[13CH3] 1458a_100012354683_200025704644 [0,1,0,0,0,0|3,0,0]=4 833 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])Br)F 1458a_100000724332_200025704644 [0,1,0,0,0,0|3,0,0]=4 834 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])Cl)Cl 1458a_100010439669_200025704644 [0,1,0,0,0,0|3,0,0]=4 835 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)Br 1458a_100012344525_200025704644 [0,1,0,0,0,0|3,0,0]=4 836 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)Cl 1458a_200010768543_200025704644 [0,1,0,0,0,0|3,0,0]=4 837 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])F)F 1458a_100000062099_200025704644 [0,1,0,0,0,0|3,0,0]=4 838 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])I)F 1458a_100013328184_200025704644 [0,1,0,0,0,0|3,0,0]=4 839 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])C 1458a_100011216168_200025704644 [0,1,0,0,0,0|3,0,0]=4 840 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])I 1458a_100010184404_200025704644 [0,1,0,0,0,0|3,0,0]=4 841 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])O 1458a_100009831561_200025704644 [0,1,0,0,0,0|3,0,0]=4 842 B12R1.232 Cc1cc(c(cc1Cl)C(=O)[13CH3])Cl 1458a_100013033594_200025704644 [0,1,0,0,0,0|3,0,0]=4 843 B12R1.232 Cc1cc(c(cc1Cl)C(=O)[13CH3])F 1458a_100012180961_200025704644 [0,1,0,0,0,0|3,0,0]=4 844 B12R1.232 Cc1cc(c(cc1F)Br)C(=O)[13CH3] 1458a_100010204433_200025704644 [0,1,0,0,0,0|3,0,0]=4 845 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])Br 1458a_200012355688_200025704644 [0,1,0,0,0,0|3,0,0]=4 846 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])Cl 1458a_100009857485_200025704644 [0,1,0,0,0,0|3,0,0]=4 847 B12R1.232 Cc1cc(c(cc1F)C(=O)[13CH3])F 1458a_100000686409_200025704644 [0,1,0,0,0,0|3,0,0]=4 848 B12R1.232 Cc1cc(c(cc1F)Cl)C(=O)[13CH3] 1458a_100000687843_200025704644 [0,1,0,0,0,0|3,0,0]=4 849 B12R1.232 Cc1cc(c(cc1F)F)C(=O)[13CH3] 1458a_100000767126_200025704644 [0,1,0,0,0,0|3,0,0]=4 850 B12R1.232 Cc1cc(c(cc1I)C(=O)[13CH3])C 1458a_100000723791_200025704644 [0,1,0,0,0,0|3,0,0]=4 851 B12R1.232 Cc1cc(c(cc1O)B(O)O)F 271570a_203496583355_100009814728 [0,1,0,0,0,0|2,0,1]=4 852 B12R1.232 Cc1cc(c(cc1O)C(=O)[13CH3])F 1458a_100009839767_200025704644 [0,1,0,0,0,0|2,0,0]=3 853 B12R1.232 Cc1cc(c(cc1O)C)B(O)O 271570a_203496583355_200009814245 [0,1,0,0,0,0|2,0,1]=4 854 B12R1.232 Cc1cc(c(cc1O)F)B(O)O 271570a_203496583355_100010264400 [0,1,0,0,0,0|2,0,1]=4 855 B12R1.232 NC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100015235948 [0,1,0,0,0,0|2,0,0]=3 856 B12R1.232 NC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100010244962 [0,1,0,0,0,0|2,0,0]=3 857 B12R1.232 NC(=O)c1cc(c(cc1N)F)O 271570a_203496583355_100015444839 [0,1,0,0,0,0|2,0,0]=3 858 B12R1.232 OB(O)c1cc(c(cc1F)F)O 271570a_203496583355_100010062379 [0,1,0,0,0,0|2,0,1]=4 859 B12R1.232 OB(O)c1cc(c(cc1F)O)F 271570a_203496583355_100010179101 [0,1,0,0,0,0|2,0,1]=4 860 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Br)F)Cl 1458a_100012921620_200025704644 [0,1,0,0,0,0|3,0,0]=4 861 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Br)F)F 1458a_100000685074_200025704644 [0,1,0,0,0,0|3,0,0]=4 862 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Br)Cl 1458a_100000246132_200025704644 [0,1,0,0,0,0|3,0,0]=4 863 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Br)F 1458a_100000724438_200025704644 [0,1,0,0,0,0|3,0,0]=4 864 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Cl)Cl 1458a_100011934218_200025704644 [0,1,0,0,0,0|3,0,0]=4 865 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Cl)F 1458a_100000212284_200025704644 [0,1,0,0,0,0|3,0,0]=4 866 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)F)F 1458a_100025704182_200025704644 [0,1,0,0,0,0|3,0,0]=4 867 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)F)I 1458a_100012920486_200025704644 [0,1,0,0,0,0|3,0,0]=4 868 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Br)Br 1458a_200011217225_200025704644 [0,1,0,0,0,0|3,0,0]=4 869 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Br)Cl 1458a_100012347732_200025704644 [0,1,0,0,0,0|3,0,0]=4 870 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Br)F 1458a_100012024349_200025704644 [0,1,0,0,0,0|3,0,0]=4 871 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)Br 1458a_100011217226_200025704644 [0,1,0,0,0,0|3,0,0]=4 872 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)Cl 1458a_100011217469_200025704644 [0,1,0,0,0,0|3,0,0]=4 873 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)F 1458a_100000690020_200025704644 [0,1,0,0,0,0|3,0,0]=4 874 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)I 1458a_100012920488_200025704644 [0,1,0,0,0,0|3,0,0]=4 875 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)Br 1458a_100000718434_200025704644 [0,1,0,0,0,0|3,0,0]=4 876 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)Cl 1458a_100011997751_200025704644 [0,1,0,0,0,0|3,0,0]=4 877 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)F 1458a_100000687535_200025704644 [0,1,0,0,0,0|3,0,0]=4 878 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)F)I 1458a_100000691139_200025704644 [0,1,0,0,0,0|3,0,0]=4 879 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_200025704644 [0,1,0,0,0,0|2,0,0]=3 880 B12R1.232 [13CH3]C(=O)c1cc(c(cc1I)F)F 1458a_100000688017_200025704644 [0,1,0,0,0,0|3,0,0]=4 881 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_200025704644 [0,1,0,0,0,0|3,0,0]=4 882 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_200025704644 [0,1,0,0,0,0|3,0,0]=4 883 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_200025704644 [0,1,0,0,0,0|3,0,0]=4 884 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_200025704644 [0,1,0,0,0,0|3,0,0]=4 885 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)F 1458a_100012182723_200025704644 [0,1,0,0,0,0|3,0,0]=4 886 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200025704644 [0,1,0,0,0,0|2,0,0]=3 887 B12R1.367 CCC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_100000210202 [0,1,0,0,0,0|3,0,0]=4 888 B12R1.367 CCC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_100000210202 [0,1,0,0,0,0|3,0,0]=4 889 B12R1.367 CCC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000210202 [0,1,0,0,0,0|3,0,0]=4 890 B12R1.367 CCC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_100000210202 [0,1,0,0,0,0|3,0,0]=4 891 B12R1.367 CCC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_100000210202 [0,1,0,0,0,0|3,0,0]=4 892 B12R1.367 CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210202 [0,1,0,0,0,0|2,0,0]=3 893 B12R1.367 CCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210202 [0,1,0,0,0,0|3,0,0]=4 894 B12R1.367 CCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210202 [0,1,0,0,0,0|3,0,0]=4 895 B12R1.367 CCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210202 [0,1,0,0,0,0|3,0,0]=4 896 B12R1.367 CCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210202 [0,1,0,0,0,0|3,0,0]=4 897 B12R1.367 CCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210202 [0,1,0,0,0,0|3,0,0]=4 898 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210202 [0,1,0,0,0,0|2,0,0]=3 899 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012349626 [0,1,0,0,0,0|2,0,0]=3 900 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000210202 [0,1,0,0,0,0|3,0,0]=4 901 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_100000210202 [0,1,0,0,0,0|3,0,0]=4 902 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000210202 [0,1,0,0,0,0|3,0,0]=4 903 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_100000210202 [0,1,0,0,0,0|3,0,0]=4 904 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_100000210202 [0,1,0,0,0,0|3,0,0]=4 905 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210202 [0,1,0,0,0,0|2,0,0]=3 906 B12R1.367 CCC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_100000210202 [0,1,0,0,0,0|3,0,0]=4 907 B12R1.367 CCC(=O)c1ccc(c(c1)F)C 1458a_100000212313_100000210202 [0,1,0,0,0,0|3,0,0]=4 908 B12R1.367 CCC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_100000210202 [0,1,0,0,0,0|3,0,0]=4 909 B12R1.367 CCC(=O)c1ccc(c(c1)F)F 1458a_100000209822_100000210202 [0,1,0,0,0,0|3,0,0]=4 910 B12R1.367 CCC(=O)c1ccc(c(c1)F)I 1458a_100000062624_100000210202 [0,1,0,0,0,0|3,0,0]=4 911 B12R1.367 CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210202 [0,1,0,0,0,0|2,0,0]=3 912 B12R1.367 CCC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_100000210202 [0,1,0,0,0,0|3,0,0]=4 913 B12R1.367 CCC(=O)c1ccc(c(c1)I)C 1458a_100000751299_100000210202 [0,1,0,0,0,0|3,0,0]=4 914 B12R1.367 CCC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_100000210202 [0,1,0,0,0,0|3,0,0]=4 915 B12R1.367 CCC(=O)c1ccc(c(c1)I)F 1458a_100000688015_100000210202 [0,1,0,0,0,0|3,0,0]=4 916 B12R1.367 CCC(=O)c1ccc(c(c1)I)I 1458a_100000725830_100000210202 [0,1,0,0,0,0|3,0,0]=4 917 B12R1.367 CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210202 [0,1,0,0,0,0|2,0,0]=3 918 B12R1.367 CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210202 [0,1,0,0,0,0|2,0,0]=3 919 B12R1.367 CCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210202 [0,1,0,0,0,0|2,0,0]=3 920 B12R1.367 CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210202 [0,1,0,0,0,0|2,0,0]=3 921 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210202 [0,1,0,0,0,0|2,0,0]=3 922 B12R1.367 CCC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011216493 [0,1,0,0,0,0|2,0,0]=3 923 B12R1.367 CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210202 [0,1,0,0,0,0|2,0,0]=3 924 B12R1.367 CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210202 [0,1,0,0,0,0|1,0,0]=2 925 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 11a_106832991635_100012339404 [0,1,0,0,0,0|3,0,0]=4 926 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 1626a_100102657272_100012339404 [0,1,0,0,0,0|3,0,0]=4 927 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 240690a_100102657272_100012339404 [0,1,0,0,0,0|3,0,0]=4 928 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Br 527a_100102657272_100012339404 [0,1,0,0,0,0|3,0,0]=4 929 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 11a_106832991635_100000186397 [0,1,0,0,0,0|3,0,0]=4 930 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 1626a_100102657272_100000186397 [0,1,0,0,0,0|3,0,0]=4 931 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 240690a_100102657272_100000186397 [0,1,0,0,0,0|3,0,0]=4 932 B12R1.367 CNC(=O)c1ccc(c(c1)Br)C 527a_100102657272_100000186397 [0,1,0,0,0,0|3,0,0]=4 933 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 11a_106832991635_100000691181 [0,1,0,0,0,0|3,0,0]=4 934 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 1626a_100102657272_100000691181 [0,1,0,0,0,0|3,0,0]=4 935 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 240690a_100102657272_100000691181 [0,1,0,0,0,0|3,0,0]=4 936 B12R1.367 CNC(=O)c1ccc(c(c1)Br)Cl 527a_100102657272_100000691181 [0,1,0,0,0,0|3,0,0]=4 937 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 11a_106832991635_100000760357 [0,1,0,0,0,0|3,0,0]=4 938 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 1626a_100102657272_100000760357 [0,1,0,0,0,0|3,0,0]=4 939 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 240690a_100102657272_100000760357 [0,1,0,0,0,0|3,0,0]=4 940 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F 527a_100102657272_100000760357 [0,1,0,0,0,0|3,0,0]=4 941 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 11a_106832991635_100000739115 [0,1,0,0,0,0|3,0,0]=4 942 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 1626a_100102657272_100000739115 [0,1,0,0,0,0|3,0,0]=4 943 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 240690a_100102657272_100000739115 [0,1,0,0,0,0|3,0,0]=4 944 B12R1.367 CNC(=O)c1ccc(c(c1)Br)I 527a_100102657272_100000739115 [0,1,0,0,0,0|3,0,0]=4 945 B12R1.367 CNC(=O)c1ccc(c(c1)Br)O 240690a_100102657272_100000189672 [0,1,0,0,0,0|2,0,0]=3 946 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 11a_106832991635_100000692631 [0,1,0,0,0,0|3,0,0]=4 947 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 1626a_100102657272_100000692631 [0,1,0,0,0,0|3,0,0]=4 948 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 240690a_100102657272_100000692631 [0,1,0,0,0,0|3,0,0]=4 949 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 527a_100102657272_100000692631 [0,1,0,0,0,0|3,0,0]=4 950 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 11a_106832991635_100000210898 [0,1,0,0,0,0|3,0,0]=4 951 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 1626a_100102657272_100000210898 [0,1,0,0,0,0|3,0,0]=4 952 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 240690a_100102657272_100000210898 [0,1,0,0,0,0|3,0,0]=4 953 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 527a_100102657272_100000210898 [0,1,0,0,0,0|3,0,0]=4 954 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 11a_106832991635_100000686306 [0,1,0,0,0,0|3,0,0]=4 955 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 1626a_100102657272_100000686306 [0,1,0,0,0,0|3,0,0]=4 956 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 240690a_100102657272_100000686306 [0,1,0,0,0,0|3,0,0]=4 957 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 527a_100102657272_100000686306 [0,1,0,0,0,0|3,0,0]=4 958 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 11a_106832991635_100000751819 [0,1,0,0,0,0|3,0,0]=4 959 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 1626a_100102657272_100000751819 [0,1,0,0,0,0|3,0,0]=4 960 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 240690a_100102657272_100000751819 [0,1,0,0,0,0|3,0,0]=4 961 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 527a_100102657272_100000751819 [0,1,0,0,0,0|3,0,0]=4 962 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 11a_106832991635_100000751300 [0,1,0,0,0,0|3,0,0]=4 963 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 1626a_100102657272_100000751300 [0,1,0,0,0,0|3,0,0]=4 964 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 240690a_100102657272_100000751300 [0,1,0,0,0,0|3,0,0]=4 965 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 527a_100102657272_100000751300 [0,1,0,0,0,0|3,0,0]=4 966 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 240690a_100102657272_100000685612 [0,1,0,0,0,0|2,0,0]=3 967 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200013065384 [0,1,0,0,0,0|2,0,0]=3 968 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 11a_106832991635_100000687082 [0,1,0,0,0,0|3,0,0]=4 969 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 1626a_100102657272_100000687082 [0,1,0,0,0,0|3,0,0]=4 970 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 240690a_100102657272_100000687082 [0,1,0,0,0,0|3,0,0]=4 971 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Br 527a_100102657272_100000687082 [0,1,0,0,0,0|3,0,0]=4 972 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 11a_106832991635_100000751740 [0,1,0,0,0,0|3,0,0]=4 973 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 1626a_100102657272_100000751740 [0,1,0,0,0,0|3,0,0]=4 974 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 240690a_100102657272_100000751740 [0,1,0,0,0,0|3,0,0]=4 975 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)C 527a_100102657272_100000751740 [0,1,0,0,0,0|3,0,0]=4 976 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 11a_106832991635_100000210401 [0,1,0,0,0,0|3,0,0]=4 977 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 1626a_100102657272_100000210401 [0,1,0,0,0,0|3,0,0]=4 978 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 240690a_100102657272_100000210401 [0,1,0,0,0,0|3,0,0]=4 979 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 527a_100102657272_100000210401 [0,1,0,0,0,0|3,0,0]=4 980 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 11a_106832991635_100000686462 [0,1,0,0,0,0|3,0,0]=4 981 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 1626a_100102657272_100000686462 [0,1,0,0,0,0|3,0,0]=4 982 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 240690a_100102657272_100000686462 [0,1,0,0,0,0|3,0,0]=4 983 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)F 527a_100102657272_100000686462 [0,1,0,0,0,0|3,0,0]=4 984 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 11a_106832991635_100000684831 [0,1,0,0,0,0|3,0,0]=4 985 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 1626a_100102657272_100000684831 [0,1,0,0,0,0|3,0,0]=4 986 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 240690a_100102657272_100000684831 [0,1,0,0,0,0|3,0,0]=4 987 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)I 527a_100102657272_100000684831 [0,1,0,0,0,0|3,0,0]=4 988 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 240690a_100102657272_100000212196 [0,1,0,0,0,0|2,0,0]=3 989 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)O 527a_100102657272_100000212196 [0,1,0,0,0,0|2,0,0]=3 990 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 11a_106832991635_100000743946 [0,1,0,0,0,0|3,0,0]=4 991 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 1626a_100102657272_100000743946 [0,1,0,0,0,0|3,0,0]=4 992 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 240690a_100102657272_100000743946 [0,1,0,0,0,0|3,0,0]=4 993 B12R1.367 CNC(=O)c1ccc(c(c1)F)Br 527a_100102657272_100000743946 [0,1,0,0,0,0|3,0,0]=4 994 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 11a_106832991635_100000212313 [0,1,0,0,0,0|3,0,0]=4 995 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 1626a_100102657272_100000212313 [0,1,0,0,0,0|3,0,0]=4 996 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 240690a_100102657272_100000212313 [0,1,0,0,0,0|3,0,0]=4 997 B12R1.367 CNC(=O)c1ccc(c(c1)F)C 527a_100102657272_100000212313 [0,1,0,0,0,0|3,0,0]=4 998 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 11a_106832991635_100000743183 [0,1,0,0,0,0|3,0,0]=4 999 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 1626a_100102657272_100000743183 [0,1,0,0,0,0|3,0,0]=4 1000 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 240690a_100102657272_100000743183 [0,1,0,0,0,0|3,0,0]=4 1001 B12R1.367 CNC(=O)c1ccc(c(c1)F)Cl 527a_100102657272_100000743183 [0,1,0,0,0,0|3,0,0]=4 1002 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 11a_106832991635_100000209822 [0,1,0,0,0,0|3,0,0]=4 1003 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 1626a_100102657272_100000209822 [0,1,0,0,0,0|3,0,0]=4 1004 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 240690a_100102657272_100000209822 [0,1,0,0,0,0|3,0,0]=4 1005 B12R1.367 CNC(=O)c1ccc(c(c1)F)F 527a_100102657272_100000209822 [0,1,0,0,0,0|3,0,0]=4 1006 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 11a_106832991635_100000062624 [0,1,0,0,0,0|3,0,0]=4 1007 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 1626a_100102657272_100000062624 [0,1,0,0,0,0|3,0,0]=4 1008 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 240690a_100102657272_100000062624 [0,1,0,0,0,0|3,0,0]=4 1009 B12R1.367 CNC(=O)c1ccc(c(c1)F)I 527a_100102657272_100000062624 [0,1,0,0,0,0|3,0,0]=4 1010 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 240690a_100102657272_100000185466 [0,1,0,0,0,0|2,0,0]=3 1011 B12R1.367 CNC(=O)c1ccc(c(c1)F)O 527a_100102657272_100000185466 [0,1,0,0,0,0|2,0,0]=3 1012 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 11a_106832991635_100012343876 [0,1,0,0,0,0|3,0,0]=4 1013 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 1626a_100102657272_100012343876 [0,1,0,0,0,0|3,0,0]=4 1014 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 240690a_100102657272_100012343876 [0,1,0,0,0,0|3,0,0]=4 1015 B12R1.367 CNC(=O)c1ccc(c(c1)I)Br 527a_100102657272_100012343876 [0,1,0,0,0,0|3,0,0]=4 1016 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 11a_106832991635_100000751299 [0,1,0,0,0,0|3,0,0]=4 1017 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 1626a_100102657272_100000751299 [0,1,0,0,0,0|3,0,0]=4 1018 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 240690a_100102657272_100000751299 [0,1,0,0,0,0|3,0,0]=4 1019 B12R1.367 CNC(=O)c1ccc(c(c1)I)C 527a_100102657272_100000751299 [0,1,0,0,0,0|3,0,0]=4 1020 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 11a_106832991635_100000739381 [0,1,0,0,0,0|3,0,0]=4 1021 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 1626a_100102657272_100000739381 [0,1,0,0,0,0|3,0,0]=4 1022 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 240690a_100102657272_100000739381 [0,1,0,0,0,0|3,0,0]=4 1023 B12R1.367 CNC(=O)c1ccc(c(c1)I)Cl 527a_100102657272_100000739381 [0,1,0,0,0,0|3,0,0]=4 1024 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 11a_106832991635_100000688015 [0,1,0,0,0,0|3,0,0]=4 1025 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 1626a_100102657272_100000688015 [0,1,0,0,0,0|3,0,0]=4 1026 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 240690a_100102657272_100000688015 [0,1,0,0,0,0|3,0,0]=4 1027 B12R1.367 CNC(=O)c1ccc(c(c1)I)F 527a_100102657272_100000688015 [0,1,0,0,0,0|3,0,0]=4 1028 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 11a_106832991635_100000725830 [0,1,0,0,0,0|3,0,0]=4 1029 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 1626a_100102657272_100000725830 [0,1,0,0,0,0|3,0,0]=4 1030 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 240690a_100102657272_100000725830 [0,1,0,0,0,0|3,0,0]=4 1031 B12R1.367 CNC(=O)c1ccc(c(c1)I)I 527a_100102657272_100000725830 [0,1,0,0,0,0|3,0,0]=4 1032 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 1626a_100102657272_100000037485 [0,1,0,0,0,0|2,0,0]=3 1033 B12R1.367 CNC(=O)c1ccc(c(c1)I)O 240690a_100102657272_100000037485 [0,1,0,0,0,0|2,0,0]=3 1034 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 240690a_100102657272_100000689001 [0,1,0,0,0,0|2,0,0]=3 1035 B12R1.367 CNC(=O)c1ccc(c(c1)O)Br 527a_100102657272_100000689001 [0,1,0,0,0,0|2,0,0]=3 1036 B12R1.367 CNC(=O)c1ccc(c(c1)O)C 240690a_100102657272_100000233767 [0,1,0,0,0,0|2,0,0]=3 1037 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 240690a_100102657272_100011933997 [0,1,0,0,0,0|2,0,0]=3 1038 B12R1.367 CNC(=O)c1ccc(c(c1)O)Cl 527a_100102657272_100011933997 [0,1,0,0,0,0|2,0,0]=3 1039 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 240690a_100102657272_100000035894 [0,1,0,0,0,0|2,0,0]=3 1040 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359898 [0,1,0,0,0,0|2,0,0]=3 1041 B12R1.367 CNC(=O)c1ccc(c(c1)O)F 527a_100102657272_100000035894 [0,1,0,0,0,0|2,0,0]=3 1042 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 1626a_100102657272_100000239334 [0,1,0,0,0,0|2,0,0]=3 1043 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 240690a_100102657272_100000239334 [0,1,0,0,0,0|2,0,0]=3 1044 B12R1.367 CNC(=O)c1ccc(c(c1)O)I 527a_100102657272_100000239334 [0,1,0,0,0,0|2,0,0]=3 1045 B12R1.367 COC(=O)c1cc(c(cn1)C)O 271570a_203496583355_100000065005 [0,1,0,0,0,0|2,0,0]=3 1046 B12R1.367 COC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100010080863 [0,1,0,0,0,0|2,0,0]=3 1047 B12R1.367 COC(=O)c1cc(c(cn1)O)N 271570a_203496583355_100016001589 [0,1,0,0,0,0|2,0,0]=3 1048 B12R1.367 COC(=O)c1cc(c(nn1)O)C 271570a_203496583355_100102422153 [0,1,0,0,0,0|3,0,0]=4 1049 B12R1.367 COC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100011294788 [0,1,0,0,0,0|1,0,0]=2 1050 B12R1.367 COC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100011215878 [0,1,0,0,0,0|1,0,0]=2 1051 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_100012356344 [0,1,0,0,0,0|1,0,0]=2 1052 B12R1.367 COC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000703229 [0,1,0,0,0,0|1,0,0]=2 1053 B12R1.367 COC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100011450966 [0,1,0,0,0,0|1,0,0]=2 1054 B12R1.367 COC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100012349818 [0,1,0,0,0,0|1,0,0]=2 1055 B12R1.367 COC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011218856 [0,1,0,0,0,0|1,0,0]=2 1056 B12R1.367 COC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100011294800 [0,1,0,0,0,0|1,0,0]=2 1057 B12R1.367 COC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000722584 [0,1,0,0,0,0|1,0,0]=2 1058 B12R1.367 COC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100000187552 [0,1,0,0,0,0|1,0,0]=2 1059 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100000216328 [0,1,0,0,0,0|0,0,0]=1 1060 B12R1.367 COC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012350776 [0,1,0,0,0,0|0,0,0]=1 1061 B12R1.367 COC(=O)c1ccc(c(n1)C)O 271570a_203496583355_100010207261 [0,1,0,0,0,0|2,0,0]=3 1062 B12R1.367 COC(=O)c1ccc(c(n1)F)O 271570a_203496583355_100010189630 [0,1,0,0,0,0|2,0,0]=3 1063 B12R1.367 COC(=O)c1ccc(c(n1)N)O 271570a_203496583355_100010187631 [0,1,0,0,0,0|2,0,0]=3 1064 B12R1.367 COC(=O)c1ccc(c(n1)O)C 271570a_203496583355_100010143800 [0,1,0,0,0,0|2,0,0]=3 1065 B12R1.367 COC(=O)c1ccc(c(n1)O)F 271570a_203496583355_100010189626 [0,1,0,0,0,0|2,0,0]=3 1066 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_100010189637 [0,1,0,0,0,0|1,0,0]=2 1067 B12R1.367 COC(=O)c1ccc(c(n1)O)O 271570a_203496583355_200009815348 [0,1,0,0,0,0|1,0,0]=2 1068 B12R1.367 COC(=O)c1cnc(c(c1)Br)O 271570a_203496583355_100010114297 [0,1,0,0,0,0|2,0,0]=3 1069 B12R1.367 COC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009862495 [0,1,0,0,0,0|2,0,0]=3 1070 B12R1.367 COC(=O)c1cnc(c(c1)F)O 271570a_203496583355_100010189625 [0,1,0,0,0,0|2,0,0]=3 1071 B12R1.367 COC(=O)c1cnc(c(c1)N)O 271570a_203496583355_100000079130 [0,1,0,0,0,0|2,0,0]=3 1072 B12R1.367 COC(=O)c1cnc(c(c1)O)Cl 271570a_203496583355_100010188758 [0,1,0,0,0,0|2,0,0]=3 1073 B12R1.367 COC(=O)c1cnc(c(c1)O)F 271570a_203496583355_100000117919 [0,1,0,0,0,0|2,0,0]=3 1074 B12R1.367 COC(=O)c1cnc(c(c1)O)N 271570a_203496583355_100009816800 [0,1,0,0,0,0|2,0,0]=3 1075 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010109663 [0,1,0,0,0,0|1,0,0]=2 1076 B12R1.367 COC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010999399 [0,1,0,0,0,0|1,0,0]=2 1077 B12R1.367 COC(=O)c1cnc(c(n1)C)O 271570a_203496583355_100000109192 [0,1,0,0,0,0|3,0,0]=4 1078 B12R1.367 COC(=O)c1cnc(c(n1)O)C 271570a_203496583355_200010778766 [0,1,0,0,0,0|3,0,0]=4 1079 B12R1.367 COC(=O)c1cnc(c(n1)O)F 271570a_203496583355_100010896985 [0,1,0,0,0,0|3,0,0]=4 1080 B12R1.367 COC(=O)c1coc(=O)c(c1)O 271570a_203496583355_100009812866 [0,1,0,0,0,0|1,0,1]=3 1081 B12R1.367 Cc1cc(ccc1Br)C(=O)CF 1458a_100000692631_100015361967 [0,1,0,0,0,0|3,0,0]=4 1082 B12R1.367 Cc1cc(ccc1Cl)C(=O)CF 1458a_100000686306_100015361967 [0,1,0,0,0,0|3,0,0]=4 1083 B12R1.367 Cc1cc(ccc1F)C(=O)CF 1458a_100000751819_100015361967 [0,1,0,0,0,0|3,0,0]=4 1084 B12R1.367 Cc1cc(ccc1I)C(=O)CF 1458a_100000751300_100015361967 [0,1,0,0,0,0|3,0,0]=4 1085 B12R1.367 Cc1cc(ccc1O)C(=O)CF 1458a_100000685612_100015361967 [0,1,0,0,0,0|2,0,0]=3 1086 B12R1.367 Cc1cc(ccc1O)C(=O)NN 271570a_203496583355_100012339724 [0,1,0,0,0,0|2,0,0]=3 1087 B12R1.367 Cc1ccc(cc1Br)C(=O)CF 1458a_100000186397_100015361967 [0,1,0,0,0,0|3,0,0]=4 1088 B12R1.367 Cc1ccc(cc1C)C(=O)CF 1458a_100000210898_100015361967 [0,1,0,0,0,0|3,0,0]=4 1089 B12R1.367 Cc1ccc(cc1Cl)C(=O)CF 1458a_100000751740_100015361967 [0,1,0,0,0,0|3,0,0]=4 1090 B12R1.367 Cc1ccc(cc1F)C(=O)CF 1458a_100000212313_100015361967 [0,1,0,0,0,0|3,0,0]=4 1091 B12R1.367 Cc1ccc(cc1I)C(=O)CF 1458a_100000751299_100015361967 [0,1,0,0,0,0|3,0,0]=4 1092 B12R1.367 Cc1ccc(cc1O)C(=O)CF 1458a_100000233767_100015361967 [0,1,0,0,0,0|2,0,0]=3 1093 B12R1.367 Cc1ccc(cc1O)C(=O)NN 271570a_203496583355_100000188075 [0,1,0,0,0,0|2,0,0]=3 1094 B12R1.367 NCC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100016989600 [0,1,0,0,0,0|2,0,0]=3 1095 B12R1.367 NNC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100000046573 [0,1,0,0,0,0|2,0,0]=3 1096 B12R1.367 O=C(CF)c1ccc(c(c1)Br)Br 1458a_100012339404_100015361967 [0,1,0,0,0,0|3,0,0]=4 1097 B12R1.367 O=C(CF)c1ccc(c(c1)Br)Cl 1458a_100000691181_100015361967 [0,1,0,0,0,0|3,0,0]=4 1098 B12R1.367 O=C(CF)c1ccc(c(c1)Br)F 1458a_100000760357_100015361967 [0,1,0,0,0,0|3,0,0]=4 1099 B12R1.367 O=C(CF)c1ccc(c(c1)Br)I 1458a_100000739115_100015361967 [0,1,0,0,0,0|3,0,0]=4 1100 B12R1.367 O=C(CF)c1ccc(c(c1)Br)O 1458a_100000189672_100015361967 [0,1,0,0,0,0|2,0,0]=3 1101 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)Br 1458a_100000687082_100015361967 [0,1,0,0,0,0|3,0,0]=4 1102 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100015361967 [0,1,0,0,0,0|3,0,0]=4 1103 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)F 1458a_100000686462_100015361967 [0,1,0,0,0,0|3,0,0]=4 1104 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)I 1458a_100000684831_100015361967 [0,1,0,0,0,0|3,0,0]=4 1105 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)O 1458a_100000212196_100015361967 [0,1,0,0,0,0|2,0,0]=3 1106 B12R1.367 O=C(CF)c1ccc(c(c1)F)Br 1458a_100000743946_100015361967 [0,1,0,0,0,0|3,0,0]=4 1107 B12R1.367 O=C(CF)c1ccc(c(c1)F)Cl 1458a_100000743183_100015361967 [0,1,0,0,0,0|3,0,0]=4 1108 B12R1.367 O=C(CF)c1ccc(c(c1)F)F 1458a_100000209822_100015361967 [0,1,0,0,0,0|3,0,0]=4 1109 B12R1.367 O=C(CF)c1ccc(c(c1)F)I 1458a_100000062624_100015361967 [0,1,0,0,0,0|3,0,0]=4 1110 B12R1.367 O=C(CF)c1ccc(c(c1)F)O 1458a_100000185466_100015361967 [0,1,0,0,0,0|2,0,0]=3 1111 B12R1.367 O=C(CF)c1ccc(c(c1)I)Br 1458a_100012343876_100015361967 [0,1,0,0,0,0|3,0,0]=4 1112 B12R1.367 O=C(CF)c1ccc(c(c1)I)Cl 1458a_100000739381_100015361967 [0,1,0,0,0,0|3,0,0]=4 1113 B12R1.367 O=C(CF)c1ccc(c(c1)I)F 1458a_100000688015_100015361967 [0,1,0,0,0,0|3,0,0]=4 1114 B12R1.367 O=C(CF)c1ccc(c(c1)I)I 1458a_100000725830_100015361967 [0,1,0,0,0,0|3,0,0]=4 1115 B12R1.367 O=C(CF)c1ccc(c(c1)I)O 1458a_100000037485_100015361967 [0,1,0,0,0,0|2,0,0]=3 1116 B12R1.367 O=C(CF)c1ccc(c(c1)O)Br 1458a_100000689001_100015361967 [0,1,0,0,0,0|2,0,0]=3 1117 B12R1.367 O=C(CF)c1ccc(c(c1)O)Cl 1458a_100011933997_100015361967 [0,1,0,0,0,0|2,0,0]=3 1118 B12R1.367 O=C(CF)c1ccc(c(c1)O)F 1458a_100000035894_100015361967 [0,1,0,0,0,0|2,0,0]=3 1119 B12R1.367 O=C(CF)c1ccc(c(c1)O)I 1458a_100000239334_100015361967 [0,1,0,0,0,0|2,0,0]=3 1120 B12R1.367 O=C(CF)c1ccc(c(c1)O)O 1458a_100000212155_100015361967 [0,1,0,0,0,0|1,0,0]=2 1121 B12R1.893 C=C(C)c1ccc(c(c1C)C)O 271570a_100000694244_100012353674 [0,1,0,0,0,0|3,0,0]=4 1122 B12R1.893 C=C(C)c1ccc(c(c1C)N)O 271570a_100000694244_100013039247 [0,1,0,0,0,0|3,0,0]=4 1123 B12R1.893 C=C(C)c1ccc(c(c1F)C)O 271570a_100000694244_100010390934 [0,1,0,0,0,0|3,0,0]=4 1124 B12R1.893 C=C(C)c1ccc(c(c1F)F)O 271570a_100000694244_100011830415 [0,1,0,0,0,0|3,0,0]=4 1125 B12R1.893 C=C(C)c1ccc(c(c1F)O)Br 271570a_100000694244_200010782288 [0,1,0,0,0,0|3,0,0]=4 1126 B12R1.893 C=C(C)c1ccc(c(c1F)O)F 271570a_100000694244_100010167067 [0,1,0,0,0,0|3,0,0]=4 1127 B12R1.893 C=C(C)c1ccc(c(c1N)O)Br 271570a_100000694244_100020748643 [0,1,0,0,0,0|3,0,0]=4 1128 B12R1.893 CC(=O)c1ccc(c(c1Br)F)F 1458a_100012356454_200000210301 [0,1,0,0,0,0|3,0,0]=4 1129 B12R1.893 CC(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_200000210301 [0,1,0,0,0,0|2,0,0]=3 1130 B12R1.893 CC(=O)c1ccc(c(c1C)F)F 1458a_100000061971_200000210301 [0,1,0,0,0,0|3,0,0]=4 1131 B12R1.893 CC(=O)c1ccc(c(c1Cl)Br)Cl 1458a_100010208263_200000210301 [0,1,0,0,0,0|3,0,0]=4 1132 B12R1.893 CC(=O)c1ccc(c(c1Cl)C)Cl 1458a_100010074829_200000210301 [0,1,0,0,0,0|3,0,0]=4 1133 B12R1.893 CC(=O)c1ccc(c(c1Cl)C)F 1458a_100000061447_200000210301 [0,1,0,0,0,0|3,0,0]=4 1134 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)Br 1458a_200012347731_200000210301 [0,1,0,0,0,0|3,0,0]=4 1135 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)F 1458a_100010209669_200000210301 [0,1,0,0,0,0|3,0,0]=4 1136 B12R1.893 CC(=O)c1ccc(c(c1Cl)F)Cl 1458a_200010192171_200000210301 [0,1,0,0,0,0|3,0,0]=4 1137 B12R1.893 CC(=O)c1ccc(c(c1Cl)F)F 1458a_100009888510_200000210301 [0,1,0,0,0,0|3,0,0]=4 1138 B12R1.893 CC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200000210301 [0,1,0,0,0,0|1,0,0]=2 1139 B12R1.893 CC(=O)c1ccc(c(c1F)Br)Br 1458a_200016032200_200000210301 [0,1,0,0,0,0|3,0,0]=4 1140 B12R1.893 CC(=O)c1ccc(c(c1F)Br)F 1458a_100010204296_200000210301 [0,1,0,0,0,0|3,0,0]=4 1141 B12R1.893 CC(=O)c1ccc(c(c1F)C)Br 1458a_100000722919_200000210301 [0,1,0,0,0,0|3,0,0]=4 1142 B12R1.893 CC(=O)c1ccc(c(c1F)C)C 1458a_100010768504_200000210301 [0,1,0,0,0,0|3,0,0]=4 1143 B12R1.893 CC(=O)c1ccc(c(c1F)C)Cl 1458a_100012183103_200000210301 [0,1,0,0,0,0|3,0,0]=4 1144 B12R1.893 CC(=O)c1ccc(c(c1F)C)F 1458a_100000067293_200000210301 [0,1,0,0,0,0|3,0,0]=4 1145 B12R1.893 CC(=O)c1ccc(c(c1F)Cl)Br 1458a_100000719840_200000210301 [0,1,0,0,0,0|3,0,0]=4 1146 B12R1.893 CC(=O)c1ccc(c(c1F)Cl)C 1458a_100000722910_200000210301 [0,1,0,0,0,0|3,0,0]=4 1147 B12R1.893 CC(=O)c1ccc(c(c1F)Cl)F 1458a_100000034381_200000210301 [0,1,0,0,0,0|3,0,0]=4 1148 B12R1.893 CC(=O)c1ccc(c(c1F)F)Br 1458a_100009816880_200000210301 [0,1,0,0,0,0|3,0,0]=4 1149 B12R1.893 CC(=O)c1ccc(c(c1F)F)C 1458a_100011219789_200000210301 [0,1,0,0,0,0|3,0,0]=4 1150 B12R1.893 CC(=O)c1ccc(c(c1F)F)Cl 1458a_100000085317_200000210301 [0,1,0,0,0,0|3,0,0]=4 1151 B12R1.893 CC(=O)c1ccc(c(c1F)F)F 1458a_100000766628_200000210301 [0,1,0,0,0,0|3,0,0]=4 1152 B12R1.893 CC(=O)c1ccc(c(c1F)F)I 1458a_100010177778_200000210301 [0,1,0,0,0,0|3,0,0]=4 1153 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200000210301 [0,1,0,0,0,0|2,0,0]=3 1154 B12R1.893 CC(=O)c1ccc(c(c1F)F)O 271570a_203496583355_100010174444 [0,1,0,0,0,0|2,0,0]=3 1155 B12R1.893 CC(=O)c1ccc(c(c1F)O)F 1458a_100000084588_200000210301 [0,1,0,0,0,0|2,0,0]=3 1156 B12R1.893 CC(=O)c1ccc(c(c1F)O)F 271570a_203496583355_100010179980 [0,1,0,0,0,0|2,0,0]=3 1157 B12R1.893 CC(=O)c1ccc(c(c1I)C)C 1458a_100010188221_200000210301 [0,1,0,0,0,0|3,0,0]=4 1158 B12R1.893 CC(=O)c1ccc(c(c1O)C)C 1458a_100000742916_200000210301 [0,1,0,0,0,0|3,0,0]=4 1159 B12R1.893 CC(=O)c1ccc(c(c1O)F)Br 1458a_100010761495_200000210301 [0,1,0,0,0,0|3,0,0]=4 1160 B12R1.893 CC(=O)c1ccc(c(c1O)F)F 1458a_100011799213_200000210301 [0,1,0,0,0,0|3,0,0]=4 1161 B12R1.893 CC(=O)c1ccc(c(c1O)F)F 271570a_203496583355_200013857550 [0,1,0,0,0,0|3,0,0]=4 1162 B12R1.893 CC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200000210301 [0,1,0,0,0,0|1,0,0]=2 1163 B12R1.893 Cc1c(ccc(c1Cl)C(=O)[13CH3])Cl 1458a_100010074829_200025704644 [0,1,0,0,0,0|3,0,0]=4 1164 B12R1.893 Cc1c(ccc(c1Cl)C(=O)[13CH3])F 1458a_100000061447_200025704644 [0,1,0,0,0,0|3,0,0]=4 1165 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])Br 1458a_100000722919_200025704644 [0,1,0,0,0,0|3,0,0]=4 1166 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_100012183103_200025704644 [0,1,0,0,0,0|3,0,0]=4 1167 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])F 1458a_100000067293_200025704644 [0,1,0,0,0,0|3,0,0]=4 1168 B12R1.893 Cc1c(ccc(c1F)F)C(=O)[13CH3] 1458a_100000061971_200025704644 [0,1,0,0,0,0|3,0,0]=4 1169 B12R1.893 Cc1ccc(c(c1C)F)C(=O)[13CH3] 1458a_100010768504_200025704644 [0,1,0,0,0,0|3,0,0]=4 1170 B12R1.893 Cc1ccc(c(c1C)I)C(=O)[13CH3] 1458a_100010188221_200025704644 [0,1,0,0,0,0|3,0,0]=4 1171 B12R1.893 Cc1ccc(c(c1C)O)C(=O)[13CH3] 1458a_100000742916_200025704644 [0,1,0,0,0,0|3,0,0]=4 1172 B12R1.893 Cc1ccc(c(c1Cl)F)C(=O)[13CH3] 1458a_100000722910_200025704644 [0,1,0,0,0,0|3,0,0]=4 1173 B12R1.893 Cc1ccc(c(c1F)F)C(=O)[13CH3] 1458a_100011219789_200025704644 [0,1,0,0,0,0|3,0,0]=4 1174 B12R1.893 OB(O)c1ccc(c(c1F)F)O 271570a_203496583355_100009813606 [0,1,0,0,0,0|2,0,1]=4 1175 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Br)F)F 1458a_100012356454_200025704644 [0,1,0,0,0,0|3,0,0]=4 1176 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_200025704644 [0,1,0,0,0,0|2,0,0]=3 1177 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)Br)Cl 1458a_100010208263_200025704644 [0,1,0,0,0,0|3,0,0]=4 1178 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)Cl)Br 1458a_200012347731_200025704644 [0,1,0,0,0,0|3,0,0]=4 1179 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)Cl)F 1458a_100010209669_200025704644 [0,1,0,0,0,0|3,0,0]=4 1180 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)F)Cl 1458a_200010192171_200025704644 [0,1,0,0,0,0|3,0,0]=4 1181 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)F)F 1458a_100009888510_200025704644 [0,1,0,0,0,0|3,0,0]=4 1182 B12R1.893 [13CH3]C(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_200025704644 [0,1,0,0,0,0|1,0,0]=2 1183 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Br)Br 1458a_200016032200_200025704644 [0,1,0,0,0,0|3,0,0]=4 1184 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Br)F 1458a_100010204296_200025704644 [0,1,0,0,0,0|3,0,0]=4 1185 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Cl)Br 1458a_100000719840_200025704644 [0,1,0,0,0,0|3,0,0]=4 1186 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)Cl)F 1458a_100000034381_200025704644 [0,1,0,0,0,0|3,0,0]=4 1187 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)Br 1458a_100009816880_200025704644 [0,1,0,0,0,0|3,0,0]=4 1188 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)Cl 1458a_100000085317_200025704644 [0,1,0,0,0,0|3,0,0]=4 1189 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)F 1458a_100000766628_200025704644 [0,1,0,0,0,0|3,0,0]=4 1190 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)I 1458a_100010177778_200025704644 [0,1,0,0,0,0|3,0,0]=4 1191 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)F)O 1458a_100000036740_200025704644 [0,1,0,0,0,0|2,0,0]=3 1192 B12R1.893 [13CH3]C(=O)c1ccc(c(c1F)O)F 1458a_100000084588_200025704644 [0,1,0,0,0,0|2,0,0]=3 1193 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)F)Br 1458a_100010761495_200025704644 [0,1,0,0,0,0|3,0,0]=4 1194 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)F)F 1458a_100011799213_200025704644 [0,1,0,0,0,0|3,0,0]=4 1195 B12R1.893 [13CH3]C(=O)c1ccc(c(c1O)O)O 1458a_100000037941_200025704644 [0,1,0,0,0,0|1,0,0]=2 1196 B12R1.1005 C=C(C)c1cc(c(c(c1)Br)O)C 271570a_100000694244_100010982682 [0,1,0,0,0,0|3,0,0]=4 1197 B12R1.1005 C=C(C)c1cc(c(c(c1)C)O)C 271570a_100000694244_100000187306 [0,1,0,0,0,0|3,0,0]=4 1198 B12R1.1005 C=C(C)c1cc(c(c(c1)Cl)O)C 271570a_100000694244_200015900153 [0,1,0,0,0,0|3,0,0]=4 1199 B12R1.1005 C=C(C)c1cc(c(c(c1)Cl)O)Cl 271570a_100000694244_100012339652 [0,1,0,0,0,0|3,0,0]=4 1200 B12R1.1005 C=C(C)c1cc(c(c(c1)F)F)O 271570a_100000694244_100000709865 [0,1,0,0,0,0|3,0,0]=4 1201 B12R1.1005 C=C(C)c1cc(c(c(c1)F)N)O 271570a_100000694244_100015475841 [0,1,0,0,0,0|3,0,0]=4 1202 B12R1.1005 C=C(C)c1cc(c(c(c1)F)O)F 271570a_100000694244_100011216917 [0,1,0,0,0,0|3,0,0]=4 1203 B12R1.1005 C=C(C)c1cc(c(c(c1)F)O)N 271570a_100000694244_100011217383 [0,1,0,0,0,0|3,0,0]=4 1204 B12R1.1005 C=C(C)c1cc(c(c(c1)N)O)C 271570a_100000694244_100011825904 [0,1,0,0,0,0|3,0,0]=4 1205 B12R1.1005 C=C(C)c1cc(c(c(c1)O)N)C 271570a_100000694244_100010371313 [0,1,0,0,0,0|3,0,0]=4 1206 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)C)Br 1458a_100000187602_200000210301 [0,1,0,0,0,0|3,0,0]=4 1207 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)C)F 1458a_200012347618_200000210301 [0,1,0,0,0,0|3,0,0]=4 1208 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)Cl)Cl 1458a_200012920480_200000210301 [0,1,0,0,0,0|3,0,0]=4 1209 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)Cl)F 1458a_100010291025_200000210301 [0,1,0,0,0,0|3,0,0]=4 1210 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)F)F 1458a_100010259547_200000210301 [0,1,0,0,0,0|3,0,0]=4 1211 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_200000210301 [0,1,0,0,0,0|2,0,0]=3 1212 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_200000210301 [0,1,0,0,0,0|1,0,0]=2 1213 B12R1.1005 CC(=O)c1cc(c(c(c1)C)Br)C 1458a_100000700660_200000210301 [0,1,0,0,0,0|3,0,0]=4 1214 B12R1.1005 CC(=O)c1cc(c(c(c1)C)C)C 1458a_100000075298_200000210301 [0,1,0,0,0,0|3,0,0]=4 1215 B12R1.1005 CC(=O)c1cc(c(c(c1)C)Cl)C 1458a_100000102532_200000210301 [0,1,0,0,0,0|3,0,0]=4 1216 B12R1.1005 CC(=O)c1cc(c(c(c1)C)F)C 1458a_100000741972_200000210301 [0,1,0,0,0,0|3,0,0]=4 1217 B12R1.1005 CC(=O)c1cc(c(c(c1)C)I)C 1458a_100010769667_200000210301 [0,1,0,0,0,0|3,0,0]=4 1218 B12R1.1005 CC(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_200000210301 [0,1,0,0,0,0|2,0,0]=3 1219 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)Br)Cl 1458a_100012354307_200000210301 [0,1,0,0,0,0|3,0,0]=4 1220 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)C)Cl 1458a_100012356007_200000210301 [0,1,0,0,0,0|3,0,0]=4 1221 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)Cl)Cl 1458a_100012339221_200000210301 [0,1,0,0,0,0|3,0,0]=4 1222 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)Cl)F 1458a_200010244527_200000210301 [0,1,0,0,0,0|3,0,0]=4 1223 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)F)Cl 1458a_100011934374_200000210301 [0,1,0,0,0,0|3,0,0]=4 1224 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)F)F 1458a_100000068011_200000210301 [0,1,0,0,0,0|3,0,0]=4 1225 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_200000210301 [0,1,0,0,0,0|2,0,0]=3 1226 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_200000210301 [0,1,0,0,0,0|1,0,0]=2 1227 B12R1.1005 CC(=O)c1cc(c(c(c1)F)Br)F 1458a_100010078405_200000210301 [0,1,0,0,0,0|3,0,0]=4 1228 B12R1.1005 CC(=O)c1cc(c(c(c1)F)C)F 1458a_100000055762_200000210301 [0,1,0,0,0,0|3,0,0]=4 1229 B12R1.1005 CC(=O)c1cc(c(c(c1)F)Cl)F 1458a_100000104779_200000210301 [0,1,0,0,0,0|3,0,0]=4 1230 B12R1.1005 CC(=O)c1cc(c(c(c1)F)F)C 1458a_100000061453_200000210301 [0,1,0,0,0,0|3,0,0]=4 1231 B12R1.1005 CC(=O)c1cc(c(c(c1)F)F)F 1458a_100000751656_200000210301 [0,1,0,0,0,0|3,0,0]=4 1232 B12R1.1005 CC(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_200000210301 [0,1,0,0,0,0|2,0,0]=3 1233 B12R1.1005 CC(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_200000210301 [0,1,0,0,0,0|2,0,0]=3 1234 B12R1.1005 CC(=O)c1cc(c(c(c1)F)O)F 271570a_203496583355_100010371124 [0,1,0,0,0,0|2,0,0]=3 1235 B12R1.1005 CC(=O)c1cc(c(c(c1)I)C)F 1458a_100012344050_200000210301 [0,1,0,0,0,0|3,0,0]=4 1236 B12R1.1005 CC(=O)c1cc(c(c(c1)I)I)I 1458a_100000033816_200000210301 [0,1,0,0,0,0|3,0,0]=4 1237 B12R1.1005 CC(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_200000210301 [0,1,0,0,0,0|2,0,0]=3 1238 B12R1.1005 CC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_200000210301 [0,1,0,0,0,0|2,0,0]=3 1239 B12R1.1005 CC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_200000210301 [0,1,0,0,0,0|2,0,0]=3 1240 B12R1.1005 CC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200000210301 [0,1,0,0,0,0|1,0,0]=2 1241 B12R1.1005 Cc1c(cc(cc1Br)C(=O)[13CH3])Br 1458a_100000187602_200025704644 [0,1,0,0,0,0|3,0,0]=4 1242 B12R1.1005 Cc1c(cc(cc1Br)C(=O)[13CH3])F 1458a_200012347618_200025704644 [0,1,0,0,0,0|3,0,0]=4 1243 B12R1.1005 Cc1c(cc(cc1Cl)C(=O)[13CH3])Cl 1458a_100012356007_200025704644 [0,1,0,0,0,0|3,0,0]=4 1244 B12R1.1005 Cc1c(cc(cc1F)C(=O)[13CH3])F 1458a_100000055762_200025704644 [0,1,0,0,0,0|3,0,0]=4 1245 B12R1.1005 Cc1c(cc(cc1I)C(=O)[13CH3])F 1458a_100012344050_200025704644 [0,1,0,0,0,0|3,0,0]=4 1246 B12R1.1005 Cc1c(cc(cc1O)C(=O)[13CH3])O 1458a_100000031928_200025704644 [0,1,0,0,0,0|2,0,0]=3 1247 B12R1.1005 Cc1cc(cc(c1Br)C)C(=O)[13CH3] 1458a_100000700660_200025704644 [0,1,0,0,0,0|3,0,0]=4 1248 B12R1.1005 Cc1cc(cc(c1C)C)C(=O)[13CH3] 1458a_100000075298_200025704644 [0,1,0,0,0,0|3,0,0]=4 1249 B12R1.1005 Cc1cc(cc(c1C)O)B(O)O 271570a_203496583355_202126042698 [0,1,0,0,0,0|2,0,1]=4 1250 B12R1.1005 Cc1cc(cc(c1Cl)C)C(=O)[13CH3] 1458a_100000102532_200025704644 [0,1,0,0,0,0|3,0,0]=4 1251 B12R1.1005 Cc1cc(cc(c1F)C)C(=O)[13CH3] 1458a_100000741972_200025704644 [0,1,0,0,0,0|3,0,0]=4 1252 B12R1.1005 Cc1cc(cc(c1F)F)C(=O)[13CH3] 1458a_100000061453_200025704644 [0,1,0,0,0,0|3,0,0]=4 1253 B12R1.1005 Cc1cc(cc(c1I)C)C(=O)[13CH3] 1458a_100010769667_200025704644 [0,1,0,0,0,0|3,0,0]=4 1254 B12R1.1005 Cc1cc(cc(c1O)C)B(O)O 271570a_203496583355_100010769218 [0,1,0,0,0,0|2,0,1]=4 1255 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)N 271570a_203496583355_200009816865 [0,1,0,0,0,0|2,0,0]=3 1256 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)[13CH3] 1458a_100011219978_200025704644 [0,1,0,0,0,0|2,0,0]=3 1257 B12R1.1005 NC(=O)c1cc(c(c(c1)O)O)O 271570a_203496583355_200009814324 [0,1,0,0,0,0|1,0,0]=2 1258 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)Cl)Cl 1458a_200012920480_200025704644 [0,1,0,0,0,0|3,0,0]=4 1259 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)Cl)F 1458a_100010291025_200025704644 [0,1,0,0,0,0|3,0,0]=4 1260 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)F)F 1458a_100010259547_200025704644 [0,1,0,0,0,0|3,0,0]=4 1261 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_200025704644 [0,1,0,0,0,0|2,0,0]=3 1262 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_200025704644 [0,1,0,0,0,0|1,0,0]=2 1263 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)Br)Cl 1458a_100012354307_200025704644 [0,1,0,0,0,0|3,0,0]=4 1264 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)Cl)Cl 1458a_100012339221_200025704644 [0,1,0,0,0,0|3,0,0]=4 1265 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)Cl)F 1458a_200010244527_200025704644 [0,1,0,0,0,0|3,0,0]=4 1266 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)F)Cl 1458a_100011934374_200025704644 [0,1,0,0,0,0|3,0,0]=4 1267 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)F)F 1458a_100000068011_200025704644 [0,1,0,0,0,0|3,0,0]=4 1268 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_200025704644 [0,1,0,0,0,0|2,0,0]=3 1269 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_200025704644 [0,1,0,0,0,0|1,0,0]=2 1270 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)Br)F 1458a_100010078405_200025704644 [0,1,0,0,0,0|3,0,0]=4 1271 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)Cl)F 1458a_100000104779_200025704644 [0,1,0,0,0,0|3,0,0]=4 1272 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)F)F 1458a_100000751656_200025704644 [0,1,0,0,0,0|3,0,0]=4 1273 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_200025704644 [0,1,0,0,0,0|2,0,0]=3 1274 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_200025704644 [0,1,0,0,0,0|2,0,0]=3 1275 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)I)I)I 1458a_100000033816_200025704644 [0,1,0,0,0,0|3,0,0]=4 1276 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_200025704644 [0,1,0,0,0,0|2,0,0]=3 1277 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_200025704644 [0,1,0,0,0,0|2,0,0]=3 1278 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_200025704644 [0,1,0,0,0,0|1,0,0]=2 1279 B12R2.291 Oc1ccc(cc1O)C2CC2 271570a_100011220607_100009813601 [0,0,0,1,0,0|2,0,1]=4 1280 B12R2.291 Oc1ccc(cc1O)C2CC2 271570a_203496583355_100135415898 [0,0,0,1,0,0|2,0,1]=4 1281 B12R2.1384 CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_200000210301 [0,0,0,1,0,0|3,0,0]=4 1282 B12R2.1384 [13CH3]C(=O)c1ccc2c(c1)CC2 1458a_100000137882_200025704644 [0,0,0,1,0,0|3,0,0]=4 1283 B10R1.58 CC(=O)c1cc(c(s1)O)C 271570a_203496583355_100000729792 [0,0,0,0,1,0|3,0,0]=4 1284 B10R1.194 CC(=O)c1c[nH]c(c1C)O 271570a_203496583355_200010235672 [0,0,0,0,1,0|3,0,0]=4 1285 B10R1.194 NC(=O)c1scc(c1N)O 271570a_203496583355_100010220608 [0,0,0,0,1,0|3,0,0]=4 1286 B12R1.19 CC(=Cc1ccc(c(c1)Br)O)C 271570a_100102525489_100012361655 [0,0,0,0,0,1|3,0,0]=4 1287 B12R1.19 CC(=Cc1ccc(c(c1)C)O)C 271570a_100102525489_100000186361 [0,0,0,0,0,1|3,0,0]=4 1288 B12R1.19 CC(=Cc1ccc(c(c1)Cl)O)C 271570a_100102525489_100012360047 [0,0,0,0,0,1|3,0,0]=4 1289 B12R1.19 CC(=Cc1ccc(c(c1)F)O)C 271570a_100102525489_100000185481 [0,0,0,0,0,1|3,0,0]=4 1290 B12R1.19 CC(=Cc1ccc(c(c1)N)O)C 271570a_100102525489_100000752626 [0,0,0,0,0,1|3,0,0]=4 1291 B12R1.19 CC(=Cc1ccc(c(c1)O)Br)C 271570a_100102525489_100012356990 [0,0,0,0,0,1|3,0,0]=4 1292 B12R1.19 CC(=Cc1ccc(c(c1)O)C)C 271570a_100102525489_100000766334 [0,0,0,0,0,1|3,0,0]=4 1293 B12R1.19 CC(=Cc1ccc(c(c1)O)Cl)C 271570a_100102525489_100011356854 [0,0,0,0,0,1|3,0,0]=4 1294 B12R1.19 CC(=Cc1ccc(c(c1)O)F)C 271570a_100102525489_100000686035 [0,0,0,0,0,1|3,0,0]=4 1295 B12R1.19 CC(=Cc1ccc(c(c1)O)N)C 271570a_100102525489_100000739049 [0,0,0,0,0,1|3,0,0]=4 1296 B12R1.19 CC(=Cc1ccc(c(c1)O)O)C 271570a_100102525489_100009813601 [0,0,0,0,0,1|2,0,0]=3 1297 B12R1.19 CC(=O)Cc1cc(=O)c(co1)O 1458a_100000070787_100000010605 [0,0,0,0,0,1|2,0,1]=4 1298 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Br 1458a_100000070787_100012353900 [0,0,0,0,0,1|3,0,0]=4 1299 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000070787_100012232412 [0,0,0,0,0,1|3,0,0]=4 1300 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)C 1458a_100000709925_200000210301 [0,0,0,0,0,1|3,0,0]=4 1301 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100000070787_100012353894 [0,0,0,0,0,1|3,0,0]=4 1302 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200000210301 [0,0,0,0,0,1|3,0,0]=4 1303 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000070787_100011206884 [0,0,0,0,0,1|3,0,0]=4 1304 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200000210301 [0,0,0,0,0,1|3,0,0]=4 1305 B12R1.19 CC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200000210301 [0,0,0,0,0,1|2,0,0]=3 1306 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000070787_100000727479 [0,0,0,0,0,1|3,0,0]=4 1307 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100012340274_200000210301 [0,0,0,0,0,1|3,0,0]=4 1308 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000070787_100000742320 [0,0,0,0,0,1|3,0,0]=4 1309 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000184070_200000210301 [0,0,0,0,0,1|3,0,0]=4 1310 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000070787_100012184735 [0,0,0,0,0,1|3,0,0]=4 1311 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100000070787_100011216667 [0,0,0,0,0,1|3,0,0]=4 1312 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100011667458_200000210301 [0,0,0,0,0,1|3,0,0]=4 1313 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [0,0,0,0,0,1|2,0,0]=3 1314 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000070787_100012353895 [0,0,0,0,0,1|3,0,0]=4 1315 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200000210301 [0,0,0,0,0,1|3,0,0]=4 1316 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)C 1458a_100000070787_100011823929 [0,0,0,0,0,1|3,0,0]=4 1317 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000070787_100000184707 [0,0,0,0,0,1|3,0,0]=4 1318 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200000210301 [0,0,0,0,0,1|3,0,0]=4 1319 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100000070787_100000717365 [0,0,0,0,0,1|3,0,0]=4 1320 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200000210301 [0,0,0,0,0,1|3,0,0]=4 1321 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)I 1458a_100000070787_100012349665 [0,0,0,0,0,1|3,0,0]=4 1322 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200000210301 [0,0,0,0,0,1|2,0,0]=3 1323 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000070787_100000767054 [0,0,0,0,0,1|3,0,0]=4 1324 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200000210301 [0,0,0,0,0,1|3,0,0]=4 1325 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100000070787_100011217369 [0,0,0,0,0,1|3,0,0]=4 1326 B12R1.19 CC(=O)Cc1ccc(c(c1)F)C 1458a_100011217375_200000210301 [0,0,0,0,0,1|3,0,0]=4 1327 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000070787_100000716492 [0,0,0,0,0,1|3,0,0]=4 1328 B12R1.19 CC(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200000210301 [0,0,0,0,0,1|3,0,0]=4 1329 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000070787_100000757363 [0,0,0,0,0,1|3,0,0]=4 1330 B12R1.19 CC(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200000210301 [0,0,0,0,0,1|3,0,0]=4 1331 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100000070787_100010149604 [0,0,0,0,0,1|3,0,0]=4 1332 B12R1.19 CC(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200000210301 [0,0,0,0,0,1|3,0,0]=4 1333 B12R1.19 CC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200000210301 [0,0,0,0,0,1|2,0,0]=3 1334 B12R1.19 CC(=O)Cc1ccc(c(c1)I)Br 1458a_100000070787_100010146616 [0,0,0,0,0,1|3,0,0]=4 1335 B12R1.19 CC(=O)Cc1ccc(c(c1)I)C 1458a_100000070787_100010206137 [0,0,0,0,0,1|3,0,0]=4 1336 B12R1.19 CC(=O)Cc1ccc(c(c1)I)F 1458a_100000070787_100010188208 [0,0,0,0,0,1|3,0,0]=4 1337 B12R1.19 CC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_200000210301 [0,0,0,0,0,1|2,0,0]=3 1338 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200000210301 [0,0,0,0,0,1|1,0,0]=2 1339 B12R1.19 CC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010141077 [0,0,0,0,0,1|1,0,0]=2 1340 B12R1.19 CC(=O)Nc1cc(c(cn1)O)C 271570a_203496583355_100011934553 [0,0,0,0,0,1|3,0,0]=4 1341 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 11a_100011306057_100015343762 [0,0,0,0,0,1|3,0,0]=4 1342 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 1626a_100011306057_100015343762 [0,0,0,0,0,1|3,0,0]=4 1343 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 22a_100011306057_100000070787 [0,0,0,0,0,1|3,0,0]=4 1344 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Br 527a_100011306057_100103153847 [0,0,0,0,0,1|3,0,0]=4 1345 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 11a_100000736455_100015343762 [0,0,0,0,0,1|3,0,0]=4 1346 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 1626a_100000736455_100015343762 [0,0,0,0,0,1|3,0,0]=4 1347 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 22a_100000736455_100000070787 [0,0,0,0,0,1|3,0,0]=4 1348 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)C 527a_100000736455_100103153847 [0,0,0,0,0,1|3,0,0]=4 1349 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 11a_100000686031_100015343762 [0,0,0,0,0,1|3,0,0]=4 1350 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 1626a_100000686031_100015343762 [0,0,0,0,0,1|3,0,0]=4 1351 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 22a_100000686031_100000070787 [0,0,0,0,0,1|3,0,0]=4 1352 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)Cl 527a_100000686031_100103153847 [0,0,0,0,0,1|3,0,0]=4 1353 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 11a_100000760356_100015343762 [0,0,0,0,0,1|3,0,0]=4 1354 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 1626a_100000760356_100015343762 [0,0,0,0,0,1|3,0,0]=4 1355 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 22a_100000760356_100000070787 [0,0,0,0,0,1|3,0,0]=4 1356 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)F 527a_100000760356_100103153847 [0,0,0,0,0,1|3,0,0]=4 1357 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 11a_100000750458_100015343762 [0,0,0,0,0,1|3,0,0]=4 1358 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 1626a_100000750458_100015343762 [0,0,0,0,0,1|3,0,0]=4 1359 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 22a_100000750458_100000070787 [0,0,0,0,0,1|3,0,0]=4 1360 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)I 527a_100000750458_100103153847 [0,0,0,0,0,1|3,0,0]=4 1361 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000070787 [0,0,0,0,0,1|2,0,0]=3 1362 B12R1.19 CC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100103153847 [0,0,0,0,0,1|2,0,0]=3 1363 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 11a_100000210723_100015343762 [0,0,0,0,0,1|3,0,0]=4 1364 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 1626a_100000210723_100015343762 [0,0,0,0,0,1|3,0,0]=4 1365 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 22a_100000210723_100000070787 [0,0,0,0,0,1|3,0,0]=4 1366 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 527a_100000210723_100103153847 [0,0,0,0,0,1|3,0,0]=4 1367 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 11a_100000724040_100015343762 [0,0,0,0,0,1|3,0,0]=4 1368 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 1626a_100000724040_100015343762 [0,0,0,0,0,1|3,0,0]=4 1369 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 22a_100000724040_100000070787 [0,0,0,0,0,1|3,0,0]=4 1370 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 527a_100000724040_100103153847 [0,0,0,0,0,1|3,0,0]=4 1371 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 11a_100000187808_100015343762 [0,0,0,0,0,1|3,0,0]=4 1372 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 1626a_100000187808_100015343762 [0,0,0,0,0,1|3,0,0]=4 1373 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 22a_100000187808_100000070787 [0,0,0,0,0,1|3,0,0]=4 1374 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 527a_100000187808_100103153847 [0,0,0,0,0,1|3,0,0]=4 1375 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 11a_100000750164_100015343762 [0,0,0,0,0,1|3,0,0]=4 1376 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 1626a_100000750164_100015343762 [0,0,0,0,0,1|3,0,0]=4 1377 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 22a_100000750164_100000070787 [0,0,0,0,0,1|3,0,0]=4 1378 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 527a_100000750164_100103153847 [0,0,0,0,0,1|3,0,0]=4 1379 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 11a_100000198070_100015343762 [0,0,0,0,0,1|3,0,0]=4 1380 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 1626a_100000198070_100015343762 [0,0,0,0,0,1|3,0,0]=4 1381 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 22a_100000198070_100000070787 [0,0,0,0,0,1|3,0,0]=4 1382 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 527a_100000198070_100103153847 [0,0,0,0,0,1|3,0,0]=4 1383 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [0,0,0,0,0,1|2,0,0]=3 1384 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [0,0,0,0,0,1|2,0,0]=3 1385 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [0,0,0,0,0,1|2,0,0]=3 1386 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [0,0,0,0,0,1|2,0,0]=3 1387 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 11a_100000687081_100015343762 [0,0,0,0,0,1|3,0,0]=4 1388 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 1626a_100000687081_100015343762 [0,0,0,0,0,1|3,0,0]=4 1389 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 22a_100000687081_100000070787 [0,0,0,0,0,1|3,0,0]=4 1390 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br 527a_100000687081_100103153847 [0,0,0,0,0,1|3,0,0]=4 1391 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 11a_100000188892_100015343762 [0,0,0,0,0,1|3,0,0]=4 1392 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 1626a_100000188892_100015343762 [0,0,0,0,0,1|3,0,0]=4 1393 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 22a_100000188892_100000070787 [0,0,0,0,0,1|3,0,0]=4 1394 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)C 527a_100000188892_100103153847 [0,0,0,0,0,1|3,0,0]=4 1395 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 11a_100000184108_100015343762 [0,0,0,0,0,1|3,0,0]=4 1396 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 1626a_100000184108_100015343762 [0,0,0,0,0,1|3,0,0]=4 1397 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 22a_100000184108_100000070787 [0,0,0,0,0,1|3,0,0]=4 1398 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 527a_100000184108_100103153847 [0,0,0,0,0,1|3,0,0]=4 1399 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 11a_100000211060_100015343762 [0,0,0,0,0,1|3,0,0]=4 1400 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 1626a_100000211060_100015343762 [0,0,0,0,0,1|3,0,0]=4 1401 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 22a_100000211060_100000070787 [0,0,0,0,0,1|3,0,0]=4 1402 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F 527a_100000211060_100103153847 [0,0,0,0,0,1|3,0,0]=4 1403 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 11a_100000761885_100015343762 [0,0,0,0,0,1|3,0,0]=4 1404 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 1626a_100000761885_100015343762 [0,0,0,0,0,1|3,0,0]=4 1405 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)I 22a_100000761885_100000070787 [0,0,0,0,0,1|3,0,0]=4 1406 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000070787 [0,0,0,0,0,1|2,0,0]=3 1407 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 11a_100000759894_100015343762 [0,0,0,0,0,1|3,0,0]=4 1408 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 1626a_100000759894_100015343762 [0,0,0,0,0,1|3,0,0]=4 1409 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 22a_100000759894_100000070787 [0,0,0,0,0,1|3,0,0]=4 1410 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br 527a_100000759894_100103153847 [0,0,0,0,0,1|3,0,0]=4 1411 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 11a_100000210958_100015343762 [0,0,0,0,0,1|3,0,0]=4 1412 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 1626a_100000210958_100015343762 [0,0,0,0,0,1|3,0,0]=4 1413 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 22a_100000210958_100000070787 [0,0,0,0,0,1|3,0,0]=4 1414 B12R1.19 CC(=O)Nc1ccc(c(c1)F)C 527a_100000210958_100103153847 [0,0,0,0,0,1|3,0,0]=4 1415 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 11a_100000739366_100015343762 [0,0,0,0,0,1|3,0,0]=4 1416 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 1626a_100000739366_100015343762 [0,0,0,0,0,1|3,0,0]=4 1417 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Cl 22a_100000739366_100000070787 [0,0,0,0,0,1|3,0,0]=4 1418 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 11a_100000210724_100015343762 [0,0,0,0,0,1|3,0,0]=4 1419 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 1626a_100000210724_100015343762 [0,0,0,0,0,1|3,0,0]=4 1420 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F 22a_100000210724_100000070787 [0,0,0,0,0,1|3,0,0]=4 1421 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 11a_100011356925_100015343762 [0,0,0,0,0,1|3,0,0]=4 1422 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 1626a_100011356925_100015343762 [0,0,0,0,0,1|3,0,0]=4 1423 B12R1.19 CC(=O)Nc1ccc(c(c1)F)I 22a_100011356925_100000070787 [0,0,0,0,0,1|3,0,0]=4 1424 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000070787 [0,0,0,0,0,1|2,0,0]=3 1425 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 271570a_203496583355_100011219590 [0,0,0,0,0,1|2,0,0]=3 1426 B12R1.19 CC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100103153847 [0,0,0,0,0,1|2,0,0]=3 1427 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 11a_100000750459_100015343762 [0,0,0,0,0,1|3,0,0]=4 1428 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 1626a_100000750459_100015343762 [0,0,0,0,0,1|3,0,0]=4 1429 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 22a_100000750459_100000070787 [0,0,0,0,0,1|3,0,0]=4 1430 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Br 527a_100000750459_100103153847 [0,0,0,0,0,1|3,0,0]=4 1431 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 11a_100000184131_100015343762 [0,0,0,0,0,1|3,0,0]=4 1432 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 1626a_100000184131_100015343762 [0,0,0,0,0,1|3,0,0]=4 1433 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 22a_100000184131_100000070787 [0,0,0,0,0,1|3,0,0]=4 1434 B12R1.19 CC(=O)Nc1ccc(c(c1)I)C 527a_100000184131_100103153847 [0,0,0,0,0,1|3,0,0]=4 1435 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 11a_100012360549_100015343762 [0,0,0,0,0,1|3,0,0]=4 1436 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 1626a_100012360549_100015343762 [0,0,0,0,0,1|3,0,0]=4 1437 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 22a_100012360549_100000070787 [0,0,0,0,0,1|3,0,0]=4 1438 B12R1.19 CC(=O)Nc1ccc(c(c1)I)Cl 527a_100012360549_100103153847 [0,0,0,0,0,1|3,0,0]=4 1439 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 11a_114828291077_100015343762 [0,0,0,0,0,1|3,0,0]=4 1440 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 1626a_114828291077_100015343762 [0,0,0,0,0,1|3,0,0]=4 1441 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 22a_114828291077_100000070787 [0,0,0,0,0,1|3,0,0]=4 1442 B12R1.19 CC(=O)Nc1ccc(c(c1)I)F 527a_114828291077_100103153847 [0,0,0,0,0,1|3,0,0]=4 1443 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100015343762 [0,0,0,0,0,1|2,0,0]=3 1444 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000070787 [0,0,0,0,0,1|2,0,0]=3 1445 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 271570a_203496583355_100011221169 [0,0,0,0,0,1|2,0,0]=3 1446 B12R1.19 CC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100103153847 [0,0,0,0,0,1|2,0,0]=3 1447 B12R1.19 CC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000070787 [0,0,0,0,0,1|2,0,0]=3 1448 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000070787 [0,0,0,0,0,1|2,0,0]=3 1449 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 271570a_203496583355_100012348134 [0,0,0,0,0,1|2,0,0]=3 1450 B12R1.19 CC(=O)Nc1ccc(c(c1)O)F 527a_100012017398_100103153847 [0,0,0,0,0,1|2,0,0]=3 1451 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000070787 [0,0,0,0,0,1|1,0,0]=2 1452 B12R1.19 CC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100103153847 [0,0,0,0,0,1|1,0,0]=2 1453 B12R1.19 CC(=O)Nc1ccc(c(n1)C)O 271570a_203496583355_100000187074 [0,0,0,0,0,1|3,0,0]=4 1454 B12R1.19 CC(=O)Nc1ccc(c(n1)F)O 271570a_203496583355_100000050017 [0,0,0,0,0,1|3,0,0]=4 1455 B12R1.19 CC(=O)Oc1ccc(c(c1)O)C 271570a_203496583355_200025702335 [0,0,0,0,0,1|2,0,0]=3 1456 B12R1.19 CC(C)Nc1ccc(c(c1)O)O 34a_100102946323_100000210206 [0,0,0,0,0,1|2,0,1]=4 1457 B12R1.19 CC(C)Sc1ccc(c(c1)O)O 62a_100000210206_100009813601 [0,0,0,0,0,1|2,0,1]=4 1458 B12R1.19 Cc1cc(ccc1Br)CC(=O)[13CH3] 1458a_100012340274_200025704644 [0,0,0,0,0,1|3,0,0]=4 1459 B12R1.19 Cc1cc(ccc1F)CC(=O)[13CH3] 1458a_100011667458_200025704644 [0,0,0,0,0,1|3,0,0]=4 1460 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [0,0,0,0,0,1|2,0,0]=3 1461 B12R1.19 Cc1cc(ccc1O)NC(=O)N 271570a_203496583355_100000238934 [0,0,0,0,0,1|2,0,0]=3 1462 B12R1.19 Cc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100000709925_200025704644 [0,0,0,0,0,1|3,0,0]=4 1463 B12R1.19 Cc1ccc(cc1C)CC(=O)[13CH3] 1458a_100000184070_200025704644 [0,0,0,0,0,1|3,0,0]=4 1464 B12R1.19 Cc1ccc(cc1F)CC(=O)[13CH3] 1458a_100011217375_200025704644 [0,0,0,0,0,1|3,0,0]=4 1465 B12R1.19 Cc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000082272_200025704644 [0,0,0,0,0,1|2,0,0]=3 1466 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)Cl 1458a_100012349508_200025704644 [0,0,0,0,0,1|3,0,0]=4 1467 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)F 1458a_100000742997_200025704644 [0,0,0,0,0,1|3,0,0]=4 1468 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_200025704644 [0,0,0,0,0,1|2,0,0]=3 1469 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Br 1458a_100000766880_200025704644 [0,0,0,0,0,1|3,0,0]=4 1470 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200025704644 [0,0,0,0,0,1|3,0,0]=4 1471 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)F 1458a_100011217296_200025704644 [0,0,0,0,0,1|3,0,0]=4 1472 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_200025704644 [0,0,0,0,0,1|2,0,0]=3 1473 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Br 1458a_100000691132_200025704644 [0,0,0,0,0,1|3,0,0]=4 1474 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)Cl 1458a_100000722404_200025704644 [0,0,0,0,0,1|3,0,0]=4 1475 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)F 1458a_100000684721_200025704644 [0,0,0,0,0,1|3,0,0]=4 1476 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)I 1458a_100010149632_200025704644 [0,0,0,0,0,1|3,0,0]=4 1477 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_200025704644 [0,0,0,0,0,1|2,0,0]=3 1478 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_200025704644 [0,0,0,0,0,1|1,0,0]=2 1479 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [2,0,0,0,0,0|2,0,0]=4 1480 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [2,0,0,0,0,0|2,0,0]=4 1481 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [2,0,0,0,0,0|2,0,0]=4 1482 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [2,0,0,0,0,0|2,0,0]=4 1483 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [2,0,0,0,0,0|2,0,0]=4 1484 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [2,0,0,0,0,0|1,0,0]=3 1485 B9R1.1 C=Cc1ccc(cn1)O 271570a_100011290941_100000685995 [2,0,0,0,0,0|2,0,0]=4 1486 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [2,0,0,0,0,0|1,0,1]=4 1487 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [2,0,0,0,0,0|2,0,0]=4 1488 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [2,0,0,0,0,0|2,0,0]=4 1489 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [2,0,0,0,0,0|2,0,0]=4 1490 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [2,0,0,0,0,0|2,0,0]=4 1491 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [2,0,0,0,0,0|2,0,0]=4 1492 B9R1.1 N#Cc1ccc(cc1)O 271570a_203496583355_100000179745 [2,0,0,0,0,0|1,0,1]=4 1493 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [2,0,0,0,0,0|1,0,1]=4 1494 B9R1.1 NNc1ccc(cc1)O 271570a_203496583355_100016988836 [2,0,0,0,0,0|2,0,0]=4 1495 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [2,0,0,0,0,0|0,0,0]=2 1496 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [2,0,0,0,0,0|1,0,0]=3 1497 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [2,0,0,0,0,0|1,0,0]=3 1498 B9R1.1 O=Cc1ccc(nn1)O 271570a_203496583355_100000044651 [2,0,0,0,0,0|2,0,0]=4 1499 B9R1.1 O=Cc1cnc(cn1)O 271570a_203496583355_100012001714 [2,0,0,0,0,0|2,0,0]=4 1500 B9R1.1 O=Cc1cnc(nc1)O 271570a_203496583355_100000070856 [2,0,0,0,0,0|2,0,0]=4 1501 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [2,0,0,0,0,0|0,0,1]=3 1502 B9R1.1 OCc1ccc(cn1)O 271570a_203496583355_100000754261 [2,0,0,0,0,0|1,0,1]=4 1503 B9R1.1 OCc1ccc(nc1)O 271570a_203496583355_100009816760 [2,0,0,0,0,0|1,0,1]=4 1504 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [2,0,0,0,0,0|1,0,1]=4 1505 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [2,0,0,0,0,0|2,0,0]=4 1506 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [2,0,0,0,0,0|2,0,0]=4 1507 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [2,0,0,0,0,0|2,0,0]=4 1508 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|1,0,0]=3 1509 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|1,0,0]=3 1510 B9R1.2 C=Cc1cc(ccn1)O 271570a_100011290941_100000762945 [2,0,0,0,0,0|2,0,0]=4 1511 B9R1.2 C=Cc1cccc(c1)Br 271570a_100011290941_100000691529 [2,0,0,0,0,0|2,0,0]=4 1512 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [2,0,0,0,0,0|2,0,0]=4 1513 B9R1.2 C=Cc1cccc(c1)Cl 271570a_100011290941_100000699651 [2,0,0,0,0,0|2,0,0]=4 1514 B9R1.2 C=Cc1cccc(c1)F 271570a_100011290941_100000685547 [2,0,0,0,0,0|2,0,0]=4 1515 B9R1.2 C=Cc1cccc(c1)N 271570a_100011290941_100000210019 [2,0,0,0,0,0|2,0,0]=4 1516 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [2,0,0,0,0,0|1,0,0]=3 1517 B9R1.2 C=Cc1cccc(c1)[S] 271570a_100011290941_114929384022 [2,0,0,0,0,0|1,1,0]=4 1518 B9R1.2 C=Cc1cncc(c1)O 271570a_100011290941_100000754920 [2,0,0,0,0,0|2,0,0]=4 1519 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [2,0,0,0,0,0|1,0,1]=4 1520 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [2,0,0,0,0,0|2,0,0]=4 1521 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [2,0,0,0,0,0|2,0,0]=4 1522 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [2,0,0,0,0,0|2,0,0]=4 1523 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [2,0,0,0,0,0|2,0,0]=4 1524 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [2,0,0,0,0,0|2,0,0]=4 1525 B9R1.2 N#Cc1cccc(c1)O 271570a_203496583355_100000189340 [2,0,0,0,0,0|1,0,1]=4 1526 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [2,0,0,0,0,0|1,0,1]=4 1527 B9R1.2 NNc1cccc(c1)O 271570a_203496583355_100000217339 [2,0,0,0,0,0|2,0,0]=4 1528 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [2,0,0,0,0,0|1,0,0]=3 1529 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [2,0,0,0,0,0|0,0,0]=2 1530 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [2,0,0,0,0,0|1,0,0]=3 1531 B9R1.2 O=Cc1ccnc(c1)O 271570a_203496583355_100011290808 [2,0,0,0,0,0|1,0,0]=3 1532 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [2,0,0,0,0,0|1,0,0]=3 1533 B9R1.2 OCc1cc(ccn1)O 271570a_203496583355_100009819072 [2,0,0,0,0,0|1,0,1]=4 1534 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [2,0,0,0,0,0|0,0,1]=3 1535 B9R1.2 OCc1cccc(n1)O 271570a_203496583355_100000694195 [2,0,0,0,0,0|1,0,1]=4 1536 B9R1.2 OCc1ccnc(c1)O 271570a_203496583355_100009814636 [2,0,0,0,0,0|1,0,1]=4 1537 B9R1.2 OCc1cncc(c1)O 271570a_203496583355_100011259137 [2,0,0,0,0,0|1,0,1]=4 1538 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [2,0,0,0,0,0|1,0,1]=4 1539 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [2,0,0,0,0,0|2,0,0]=4 1540 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [2,0,0,0,0,0|2,0,0]=4 1541 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100009843476 [2,0,0,0,0,0|1,0,1]=4 1542 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100011016184 [2,0,0,0,0,0|1,0,1]=4 1543 B9R1.69 Cc1cc(ccc1Br)O 271570a_203496583355_100009813585 [2,0,0,0,0,0|2,0,0]=4 1544 B9R1.69 Cc1cc(ccc1Cl)O 271570a_203496583355_100000049509 [2,0,0,0,0,0|2,0,0]=4 1545 B9R1.69 Cc1cc(ccc1F)O 271570a_203496583355_100011218330 [2,0,0,0,0,0|2,0,0]=4 1546 B9R1.69 Cc1cc(ccc1N)O 271570a_203496583355_100000211769 [2,0,0,0,0,0|2,0,0]=4 1547 B9R1.69 Cc1cc(ccc1O)Br 271570a_203496583355_100000701812 [2,0,0,0,0,0|2,0,0]=4 1548 B9R1.69 Cc1cc(ccc1O)Cl 271570a_203496583355_100011219607 [2,0,0,0,0,0|2,0,0]=4 1549 B9R1.69 Cc1cc(ccc1O)F 271570a_203496583355_100011205405 [2,0,0,0,0,0|2,0,0]=4 1550 B9R1.69 Cc1cc(ccc1O)N 271570a_203496583355_100000210723 [2,0,0,0,0,0|2,0,0]=4 1551 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000186361 [2,0,0,0,0,0|1,0,0]=3 1552 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000729255 [2,0,0,0,0,0|1,0,0]=3 1553 B9R1.69 Cc1cc(cnc1O)O 271570a_203496583355_100000685391 [2,0,0,0,0,0|2,0,0]=4 1554 B9R1.69 Cc1cc(cnc1O)O 271570a_203496583355_100012000486 [2,0,0,0,0,0|2,0,0]=4 1555 B9R1.69 Cc1cc(ncc1O)O 271570a_203496583355_100000692680 [2,0,0,0,0,0|2,0,0]=4 1556 B9R1.69 Cc1cc(ncc1O)O 271570a_203496583355_100010114363 [2,0,0,0,0,0|2,0,0]=4 1557 B9R1.69 Cc1ccc(c(c1)Br)O 271570a_203496583355_100009813563 [2,0,0,0,0,0|1,0,1]=4 1558 B9R1.69 Cc1ccc(c(c1)C)O 271570a_203496583355_100011217332 [2,0,0,0,0,0|1,0,1]=4 1559 B9R1.69 Cc1ccc(c(c1)Cl)O 271570a_203496583355_100011263221 [2,0,0,0,0,0|1,0,1]=4 1560 B9R1.69 Cc1ccc(c(c1)F)O 271570a_203496583355_100011216119 [2,0,0,0,0,0|1,0,1]=4 1561 B9R1.69 Cc1ccc(c(c1)N)O 271570a_203496583355_100011216686 [2,0,0,0,0,0|1,0,1]=4 1562 B9R1.69 Cc1ccc(c(c1)O)Br 271570a_203496583355_100012353751 [2,0,0,0,0,0|1,0,1]=4 1563 B9R1.69 Cc1ccc(c(c1)O)C 271570a_203496583355_100000210833 [2,0,0,0,0,0|1,0,1]=4 1564 B9R1.69 Cc1ccc(c(c1)O)Cl 271570a_203496583355_100012356289 [2,0,0,0,0,0|1,0,1]=4 1565 B9R1.69 Cc1ccc(c(c1)O)F 271570a_203496583355_100000736223 [2,0,0,0,0,0|1,0,1]=4 1566 B9R1.69 Cc1ccc(c(c1)O)N 271570a_203496583355_100000210942 [2,0,0,0,0,0|1,0,1]=4 1567 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100000765521 [2,0,0,0,0,0|0,0,1]=3 1568 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100012002257 [2,0,0,0,0,0|0,0,1]=3 1569 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100000702858 [2,0,0,0,0,0|1,0,1]=4 1570 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100009817604 [2,0,0,0,0,0|1,0,1]=4 1571 B9R1.69 Cc1ccc(cc1Br)O 271570a_203496583355_100011847877 [2,0,0,0,0,0|2,0,0]=4 1572 B9R1.69 Cc1ccc(cc1C)O 271570a_203496583355_100011215607 [2,0,0,0,0,0|2,0,0]=4 1573 B9R1.69 Cc1ccc(cc1Cl)O 271570a_203496583355_100011216363 [2,0,0,0,0,0|2,0,0]=4 1574 B9R1.69 Cc1ccc(cc1F)O 271570a_203496583355_100000720648 [2,0,0,0,0,0|2,0,0]=4 1575 B9R1.69 Cc1ccc(cc1N)O 271570a_203496583355_100000761890 [2,0,0,0,0,0|2,0,0]=4 1576 B9R1.69 Cc1ccc(cc1O)Br 271570a_203496583355_100011344865 [2,0,0,0,0,0|2,0,0]=4 1577 B9R1.69 Cc1ccc(cc1O)Cl 271570a_203496583355_100011263213 [2,0,0,0,0,0|2,0,0]=4 1578 B9R1.69 Cc1ccc(cc1O)F 271570a_203496583355_100011218078 [2,0,0,0,0,0|2,0,0]=4 1579 B9R1.69 Cc1ccc(cc1O)N 271570a_203496583355_100000736455 [2,0,0,0,0,0|2,0,0]=4 1580 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100000766334 [2,0,0,0,0,0|1,0,0]=3 1581 B9R1.69 Cc1ccc(cc1O)O 271570a_203496583355_100011380479 [2,0,0,0,0,0|1,0,0]=3 1582 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100000049931 [2,0,0,0,0,0|1,0,1]=4 1583 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100012000487 [2,0,0,0,0,0|1,0,1]=4 1584 B9R1.69 Cc1cnc(cc1O)O 271570a_203496583355_100000704368 [2,0,0,0,0,0|2,0,0]=4 1585 B9R1.69 Cc1cnc(cc1O)O 271570a_203496583355_100009831917 [2,0,0,0,0,0|2,0,0]=4 1586 B9R1.69 Cc1nc(ccc1O)O 271570a_203496583355_100000691680 [2,0,0,0,0,0|2,0,0]=4 1587 B9R1.69 Cc1nc(ccc1O)O 271570a_203496583355_100010233687 [2,0,0,0,0,0|2,0,0]=4 1588 B9R1.69 Cc1ncc(cc1O)O 271570a_203496583355_100009819603 [2,0,0,0,0,0|2,0,0]=4 1589 B9R1.69 Cc1ncc(cc1O)O 271570a_203496583355_100009864810 [2,0,0,0,0,0|2,0,0]=4 1590 B9R1.69 Nc1[nH]c(=O)ccc1O 271570a_203496583355_100009884077 [2,0,0,0,0,0|2,0,0]=4 1591 B9R1.69 Nc1cc(ccc1Br)O 271570a_203496583355_100000750456 [2,0,0,0,0,0|2,0,0]=4 1592 B9R1.69 Nc1cc(ccc1Cl)O 271570a_203496583355_200000761891 [2,0,0,0,0,0|2,0,0]=4 1593 B9R1.69 Nc1cc(ccc1F)O 271570a_203496583355_100000740924 [2,0,0,0,0,0|2,0,0]=4 1594 B9R1.69 Nc1cc(ccc1O)Br 271570a_203496583355_100000743836 [2,0,0,0,0,0|2,0,0]=4 1595 B9R1.69 Nc1cc(ccc1O)Cl 271570a_203496583355_100000761886 [2,0,0,0,0,0|2,0,0]=4 1596 B9R1.69 Nc1cc(ccc1O)F 271570a_203496583355_100011218093 [2,0,0,0,0,0|2,0,0]=4 1597 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100000752626 [2,0,0,0,0,0|1,0,0]=3 1598 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100011999798 [2,0,0,0,0,0|1,0,0]=3 1599 B9R1.69 Nc1cc(cnc1O)O 271570a_203496583355_100000743729 [2,0,0,0,0,0|2,0,0]=4 1600 B9R1.69 Nc1cc(ncc1O)O 271570a_203496583355_100009819941 [2,0,0,0,0,0|2,0,0]=4 1601 B9R1.69 Nc1ccc(c(c1)Br)O 271570a_203496583355_100000750458 [2,0,0,0,0,0|2,0,0]=4 1602 B9R1.69 Nc1ccc(c(c1)Cl)O 271570a_203496583355_100000761885 [2,0,0,0,0,0|2,0,0]=4 1603 B9R1.69 Nc1ccc(c(c1)F)O 271570a_203496583355_100011356925 [2,0,0,0,0,0|2,0,0]=4 1604 B9R1.69 Nc1ccc(c(c1)N)O 271570a_203496583355_200012175722 [2,0,0,0,0,0|2,0,0]=4 1605 B9R1.69 Nc1ccc(c(c1)O)Br 271570a_203496583355_100000750459 [2,0,0,0,0,0|2,0,0]=4 1606 B9R1.69 Nc1ccc(c(c1)O)Cl 271570a_203496583355_100012360549 [2,0,0,0,0,0|2,0,0]=4 1607 B9R1.69 Nc1ccc(c(c1)O)F 271570a_203496583355_100000760356 [2,0,0,0,0,0|2,0,0]=4 1608 B9R1.69 Nc1ccc(c(c1)O)N 271570a_203496583355_100011534242 [2,0,0,0,0,0|2,0,0]=4 1609 B9R1.69 Nc1ccc(c(c1)O)O 271570a_203496583355_100011534360 [2,0,0,0,0,0|1,0,0]=3 1610 B9R1.69 Nc1ccc(cc1Br)O 271570a_203496583355_100000750455 [2,0,0,0,0,0|2,0,0]=4 1611 B9R1.69 Nc1ccc(cc1Cl)O 271570a_203496583355_100011218065 [2,0,0,0,0,0|2,0,0]=4 1612 B9R1.69 Nc1ccc(cc1F)O 271570a_203496583355_100011215594 [2,0,0,0,0,0|2,0,0]=4 1613 B9R1.69 Nc1ccc(cc1N)O 271570a_203496583355_100000741789 [2,0,0,0,0,0|2,0,0]=4 1614 B9R1.69 Nc1ccc(cc1O)Br 271570a_203496583355_100000187925 [2,0,0,0,0,0|2,0,0]=4 1615 B9R1.69 Nc1ccc(cc1O)Cl 271570a_203496583355_100000761889 [2,0,0,0,0,0|2,0,0]=4 1616 B9R1.69 Nc1ccc(cc1O)F 271570a_203496583355_100000760547 [2,0,0,0,0,0|2,0,0]=4 1617 B9R1.69 Nc1ccc(cc1O)O 271570a_203496583355_100000739049 [2,0,0,0,0,0|1,0,0]=3 1618 B9R1.69 Nc1ccc(cc1O)O 271570a_203496583355_100012001276 [2,0,0,0,0,0|1,0,0]=3 1619 B9R1.69 Nc1ccc(nc1O)O 271570a_203496583355_100000718904 [2,0,0,0,0,0|2,0,0]=4 1620 B9R1.69 Nc1nc(ccc1O)O 271570a_203496583355_100000685527 [2,0,0,0,0,0|2,0,0]=4 1621 B9R1.69 Nc1ncc(cc1O)O 271570a_203496583355_100009819042 [2,0,0,0,0,0|2,0,0]=4 1622 B9R1.69 O=c1[nH]cc(cc1O)O 271570a_203496583355_100009814561 [2,0,0,0,0,0|1,0,1]=4 1623 B9R1.69 O=c1cc(c(c[nH]1)F)O 271570a_203496583355_100009817642 [2,0,0,0,0,0|2,0,0]=4 1624 B9R1.69 O=c1cc(c(c[nH]1)O)F 271570a_203496583355_100015631685 [2,0,0,0,0,0|2,0,0]=4 1625 B9R1.69 Oc1cc(c(cn1)F)O 271570a_203496583355_100009854642 [2,0,0,0,0,0|2,0,0]=4 1626 B9R1.69 Oc1cc(c(nn1)O)O 271570a_203496583355_100000759565 [2,0,0,0,0,0|2,0,0]=4 1627 B9R1.69 Oc1cc(ccc1Br)Br 271570a_203496583355_100011483371 [2,0,0,0,0,0|2,0,0]=4 1628 B9R1.69 Oc1cc(ccc1Br)Cl 271570a_203496583355_100012339723 [2,0,0,0,0,0|2,0,0]=4 1629 B9R1.69 Oc1cc(ccc1Br)F 271570a_203496583355_100011217576 [2,0,0,0,0,0|2,0,0]=4 1630 B9R1.69 Oc1cc(ccc1Cl)Br 271570a_203496583355_100011772130 [2,0,0,0,0,0|2,0,0]=4 1631 B9R1.69 Oc1cc(ccc1Cl)Cl 271570a_203496583355_100000707729 [2,0,0,0,0,0|2,0,0]=4 1632 B9R1.69 Oc1cc(ccc1Cl)F 271570a_203496583355_100011217299 [2,0,0,0,0,0|2,0,0]=4 1633 B9R1.69 Oc1cc(ccc1F)Br 271570a_203496583355_100011217312 [2,0,0,0,0,0|2,0,0]=4 1634 B9R1.69 Oc1cc(ccc1F)Cl 271570a_203496583355_100011218116 [2,0,0,0,0,0|2,0,0]=4 1635 B9R1.69 Oc1cc(ccc1F)F 271570a_203496583355_100000750033 [2,0,0,0,0,0|2,0,0]=4 1636 B9R1.69 Oc1cc(cnc1O)Br 271570a_203496583355_100010197142 [2,0,0,0,0,0|2,0,0]=4 1637 B9R1.69 Oc1cc(cnc1O)Br 271570a_203496583355_100010210634 [2,0,0,0,0,0|2,0,0]=4 1638 B9R1.69 Oc1cc(cnc1O)Cl 271570a_203496583355_100010188700 [2,0,0,0,0,0|2,0,0]=4 1639 B9R1.69 Oc1cc(cnc1O)Cl 271570a_203496583355_100010233512 [2,0,0,0,0,0|2,0,0]=4 1640 B9R1.69 Oc1cc(cnc1O)F 271570a_203496583355_100000079967 [2,0,0,0,0,0|2,0,0]=4 1641 B9R1.69 Oc1ccc(c(c1)Br)Br 271570a_203496583355_100012356285 [2,0,0,0,0,0|2,0,0]=4 1642 B9R1.69 Oc1ccc(c(c1)Br)Cl 271570a_203496583355_100012353702 [2,0,0,0,0,0|2,0,0]=4 1643 B9R1.69 Oc1ccc(c(c1)Br)F 271570a_203496583355_100012047266 [2,0,0,0,0,0|2,0,0]=4 1644 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100000701344 [2,0,0,0,0,0|1,0,0]=3 1645 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100012361655 [2,0,0,0,0,0|1,0,0]=3 1646 B9R1.69 Oc1ccc(c(c1)Cl)Br 271570a_203496583355_100012047281 [2,0,0,0,0,0|2,0,0]=4 1647 B9R1.69 Oc1ccc(c(c1)Cl)Cl 271570a_203496583355_100011214914 [2,0,0,0,0,0|2,0,0]=4 1648 B9R1.69 Oc1ccc(c(c1)Cl)F 271570a_203496583355_100011215976 [2,0,0,0,0,0|2,0,0]=4 1649 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100000047559 [2,0,0,0,0,0|1,0,0]=3 1650 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100012360047 [2,0,0,0,0,0|1,0,0]=3 1651 B9R1.69 Oc1ccc(c(c1)F)Br 271570a_203496583355_100000685389 [2,0,0,0,0,0|2,0,0]=4 1652 B9R1.69 Oc1ccc(c(c1)F)Cl 271570a_203496583355_100011216805 [2,0,0,0,0,0|2,0,0]=4 1653 B9R1.69 Oc1ccc(c(c1)F)F 271570a_203496583355_100000750028 [2,0,0,0,0,0|2,0,0]=4 1654 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000185481 [2,0,0,0,0,0|1,0,0]=3 1655 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000755031 [2,0,0,0,0,0|1,0,0]=3 1656 B9R1.69 Oc1ccc(c(c1)O)Br 271570a_203496583355_100012339312 [2,0,0,0,0,0|1,0,0]=3 1657 B9R1.69 Oc1ccc(c(c1)O)Br 271570a_203496583355_100012356990 [2,0,0,0,0,0|1,0,0]=3 1658 B9R1.69 Oc1ccc(c(c1)O)Cl 271570a_203496583355_100000049588 [2,0,0,0,0,0|1,0,0]=3 1659 B9R1.69 Oc1ccc(c(c1)O)Cl 271570a_203496583355_100011356854 [2,0,0,0,0,0|1,0,0]=3 1660 B9R1.69 Oc1ccc(c(c1)O)F 271570a_203496583355_100000686035 [2,0,0,0,0,0|1,0,0]=3 1661 B9R1.69 Oc1ccc(c(c1)O)F 271570a_203496583355_100000693481 [2,0,0,0,0,0|1,0,0]=3 1662 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813601 [2,0,0,0,0,0|0,0,0]=2 1663 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813629 [2,0,0,0,0,0|0,0,0]=2 1664 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813921 [2,0,0,0,0,0|0,0,0]=2 1665 B9R1.69 Oc1ccc(c(n1)Br)O 271570a_203496583355_100000725334 [2,0,0,0,0,0|2,0,0]=4 1666 B9R1.69 Oc1ccc(c(n1)Cl)O 271570a_203496583355_100000721234 [2,0,0,0,0,0|2,0,0]=4 1667 B9R1.69 Oc1ccc(c(n1)F)O 271570a_203496583355_100009819667 [2,0,0,0,0,0|2,0,0]=4 1668 B9R1.69 Oc1ccc(c(n1)F)O 271570a_203496583355_100009879308 [2,0,0,0,0,0|2,0,0]=4 1669 B9R1.69 Oc1ccc(c(n1)O)F 271570a_203496583355_100010729010 [2,0,0,0,0,0|2,0,0]=4 1670 B9R1.69 Oc1ccc(cc1Br)Br 271570a_203496583355_100011484698 [2,0,0,0,0,0|2,0,0]=4 1671 B9R1.69 Oc1ccc(cc1Br)Cl 271570a_203496583355_100011219703 [2,0,0,0,0,0|2,0,0]=4 1672 B9R1.69 Oc1ccc(cc1Br)F 271570a_203496583355_100011217111 [2,0,0,0,0,0|2,0,0]=4 1673 B9R1.69 Oc1ccc(cc1Cl)Br 271570a_203496583355_100011216062 [2,0,0,0,0,0|2,0,0]=4 1674 B9R1.69 Oc1ccc(cc1Cl)Cl 271570a_203496583355_100000699841 [2,0,0,0,0,0|2,0,0]=4 1675 B9R1.69 Oc1ccc(cc1Cl)F 271570a_203496583355_100000733362 [2,0,0,0,0,0|2,0,0]=4 1676 B9R1.69 Oc1ccc(cc1F)Br 271570a_203496583355_100009814013 [2,0,0,0,0,0|2,0,0]=4 1677 B9R1.69 Oc1ccc(cc1F)Cl 271570a_203496583355_100011216042 [2,0,0,0,0,0|2,0,0]=4 1678 B9R1.69 Oc1ccc(cc1F)F 271570a_203496583355_100000750030 [2,0,0,0,0,0|2,0,0]=4 1679 B9R1.69 Oc1ccc(cc1O)Br 271570a_203496583355_100012344904 [2,0,0,0,0,0|1,0,0]=3 1680 B9R1.69 Oc1ccc(cc1O)Br 271570a_203496583355_100012355227 [2,0,0,0,0,0|1,0,0]=3 1681 B9R1.69 Oc1ccc(cc1O)Cl 271570a_203496583355_100000050036 [2,0,0,0,0,0|1,0,0]=3 1682 B9R1.69 Oc1ccc(cc1O)Cl 271570a_203496583355_100011356953 [2,0,0,0,0,0|1,0,0]=3 1683 B9R1.69 Oc1ccc(cc1O)F 271570a_203496583355_100000211999 [2,0,0,0,0,0|1,0,0]=3 1684 B9R1.69 Oc1ccc(cc1O)F 271570a_203496583355_100000690578 [2,0,0,0,0,0|1,0,0]=3 1685 B9R1.69 Oc1ccc(nc1O)Br 271570a_203496583355_100010253912 [2,0,0,0,0,0|2,0,0]=4 1686 B9R1.69 Oc1ccc(nc1O)Cl 271570a_203496583355_100000696390 [2,0,0,0,0,0|2,0,0]=4 1687 B9R1.69 Oc1ccc(nc1O)F 271570a_203496583355_100010382442 [2,0,0,0,0,0|2,0,0]=4 1688 B9R1.69 Oc1cnc(c(c1)Cl)O 271570a_203496583355_100010238531 [2,0,0,0,0,0|2,0,0]=4 1689 B9R1.69 Oc1cnc(c(c1)F)O 271570a_203496583355_100000063512 [2,0,0,0,0,0|2,0,0]=4 1690 B9R1.69 Oc1cnc(c(c1)O)F 271570a_203496583355_100009817267 [2,0,0,0,0,0|2,0,0]=4 1691 B9R1.69 Oc1cnc(c(c1)O)F 271570a_203496583355_100009819871 [2,0,0,0,0,0|2,0,0]=4 1692 B9R1.69 Oc1cnc(cc1O)Cl 271570a_203496583355_100000698892 [2,0,0,0,0,0|2,0,0]=4 1693 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [1,1,0,0,0,0|2,0,0]=4 1694 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [1,1,0,0,0,0|2,0,0]=4 1695 B11R1.3 C=C(C)c1ccc(cc1)CO 271570a_100000694244_100000690907 [1,1,0,0,0,0|2,0,0]=4 1696 B11R1.3 C=C(C)c1ccc(cc1)OC 271570a_100000694244_100000171711 [1,1,0,0,0,0|2,0,0]=4 1697 B11R1.3 C=C(C)c1ccc(cc1)OC 34a_100009880102_200000210301 [1,1,0,0,0,0|2,0,0]=4 1698 B11R1.3 C=C(C)c1ccc(cc1)OC 7a_100009880102_200000210301 [1,1,0,0,0,0|2,0,0]=4 1699 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 34a_100009880102_200025704644 [1,1,0,0,0,0|2,0,0]=4 1700 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 7a_100009880102_200025704644 [1,1,0,0,0,0|2,0,0]=4 1701 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [1,1,0,0,0,0|2,0,0]=4 1702 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [1,1,0,0,0,0|2,0,0]=4 1703 B11R1.3 C=Cc1ccc(cc1)C(=O)N 271570a_100011290941_100000162191 [1,1,0,0,0,0|2,0,0]=4 1704 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [1,1,0,0,0,0|2,0,0]=4 1705 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [1,1,0,0,0,0|2,0,0]=4 1706 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [1,1,0,0,0,0|1,0,0]=3 1707 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [1,1,0,0,0,0|1,0,0]=3 1708 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [1,1,0,0,0,0|1,0,0]=3 1709 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [1,1,0,0,0,0|1,1,0]=4 1710 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [1,1,0,0,0,0|1,1,0]=4 1711 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [1,1,0,0,0,0|2,0,0]=4 1712 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [1,1,0,0,0,0|2,0,0]=4 1713 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [1,1,0,0,0,0|1,0,1]=4 1714 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [1,1,0,0,0,0|1,0,1]=4 1715 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [1,1,0,0,0,0|2,0,0]=4 1716 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [1,1,0,0,0,0|2,0,0]=4 1717 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [1,1,0,0,0,0|2,0,0]=4 1718 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [1,1,0,0,0,0|2,0,0]=4 1719 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [1,1,0,0,0,0|1,0,0]=3 1720 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [1,1,0,0,0,0|1,0,0]=3 1721 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [1,1,0,0,0,0|1,0,0]=3 1722 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [1,1,0,0,0,0|1,0,0]=3 1723 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [1,1,0,0,0,0|1,0,0]=3 1724 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [1,1,0,0,0,0|1,0,0]=3 1725 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [1,1,0,0,0,0|1,0,1]=4 1726 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [1,1,0,0,0,0|1,0,1]=4 1727 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [1,1,0,0,0,0|2,0,0]=4 1728 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [1,1,0,0,0,0|2,0,0]=4 1729 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000210301 [1,1,0,0,0,0|1,0,1]=4 1730 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000210301 [1,1,0,0,0,0|1,0,1]=4 1731 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [1,1,0,0,0,0|2,0,0]=4 1732 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [1,1,0,0,0,0|2,0,0]=4 1733 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [1,1,0,0,0,0|2,0,0]=4 1734 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [1,1,0,0,0,0|2,0,0]=4 1735 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [1,1,0,0,0,0|1,1,0]=4 1736 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [1,1,0,0,0,0|1,1,0]=4 1737 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [1,1,0,0,0,0|1,1,0]=4 1738 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [1,1,0,0,0,0|1,1,0]=4 1739 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [1,1,0,0,0,0|1,1,0]=4 1740 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [1,1,0,0,0,0|1,1,0]=4 1741 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [1,1,0,0,0,0|2,0,0]=4 1742 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [1,1,0,0,0,0|1,0,0]=3 1743 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [1,1,0,0,0,0|2,0,0]=4 1744 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [1,1,0,0,0,0|1,0,0]=3 1745 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [1,1,0,0,0,0|1,0,0]=3 1746 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200025704644 [1,1,0,0,0,0|1,0,1]=4 1747 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200025704644 [1,1,0,0,0,0|1,0,1]=4 1748 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [1,1,0,0,0,0|1,1,0]=4 1749 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [1,1,0,0,0,0|1,1,0]=4 1750 B11R1.19 CC(C)(O)c1ccc(cc1)O 271570a_203496583355_100000753367 [1,1,0,0,0,0|1,0,1]=4 1751 B11R1.19 CS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000765142 [1,1,0,0,0,0|1,0,1]=4 1752 B11R1.19 NS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000701559 [1,1,0,0,0,0|1,0,1]=4 1753 B11R1.22 CCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210202 [1,1,0,0,0,0|2,0,0]=4 1754 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [1,1,0,0,0,0|2,0,0]=4 1755 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [1,1,0,0,0,0|2,0,0]=4 1756 B11R1.22 CCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210202 [1,1,0,0,0,0|2,0,0]=4 1757 B11R1.22 CCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210202 [1,1,0,0,0,0|2,0,0]=4 1758 B11R1.22 CCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210202 [1,1,0,0,0,0|1,0,0]=3 1759 B11R1.22 CCC(=O)c1ccc(cc1)O 271570a_203496583355_100000211647 [1,1,0,0,0,0|1,0,0]=3 1760 B11R1.22 CCC(=O)c1ccc(cn1)O 271570a_203496583355_100012351654 [1,1,0,0,0,0|2,0,0]=4 1761 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [1,1,0,0,0,0|1,0,1]=4 1762 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [1,1,0,0,0,0|2,0,0]=4 1763 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [1,1,0,0,0,0|2,0,0]=4 1764 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [1,1,0,0,0,0|2,0,0]=4 1765 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [1,1,0,0,0,0|2,0,0]=4 1766 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [1,1,0,0,0,0|2,0,0]=4 1767 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [1,1,0,0,0,0|2,0,0]=4 1768 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [1,1,0,0,0,0|2,0,0]=4 1769 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [1,1,0,0,0,0|2,0,0]=4 1770 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [1,1,0,0,0,0|2,0,0]=4 1771 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [1,1,0,0,0,0|2,0,0]=4 1772 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [1,1,0,0,0,0|2,0,0]=4 1773 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [1,1,0,0,0,0|2,0,0]=4 1774 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [1,1,0,0,0,0|2,0,0]=4 1775 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [1,1,0,0,0,0|2,0,0]=4 1776 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [1,1,0,0,0,0|2,0,0]=4 1777 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [1,1,0,0,0,0|2,0,0]=4 1778 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [1,1,0,0,0,0|2,0,0]=4 1779 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [1,1,0,0,0,0|2,0,0]=4 1780 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [1,1,0,0,0,0|2,0,0]=4 1781 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [1,1,0,0,0,0|2,0,0]=4 1782 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [1,1,0,0,0,0|1,0,0]=3 1783 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [1,1,0,0,0,0|1,0,0]=3 1784 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [1,1,0,0,0,0|1,0,0]=3 1785 B11R1.22 CNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781262 [1,1,0,0,0,0|2,0,0]=4 1786 B11R1.22 CNC(=O)c1ccc(nc1)O 271570a_203496583355_100000159860 [1,1,0,0,0,0|2,0,0]=4 1787 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [1,1,0,0,0,0|0,0,0]=2 1788 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [1,1,0,0,0,0|1,0,0]=3 1789 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [1,1,0,0,0,0|1,0,0]=3 1790 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [1,1,0,0,0,0|2,0,0]=4 1791 B11R1.22 COC(=O)c1cnc(cn1)O 271570a_203496583355_100010219404 [1,1,0,0,0,0|2,0,0]=4 1792 B11R1.22 COC(=O)c1cnc(nc1)O 271570a_203496583355_100000729365 [1,1,0,0,0,0|2,0,0]=4 1793 B11R1.22 COC(=O)c1ncc(cn1)O 271570a_203496583355_100000690087 [1,1,0,0,0,0|2,0,0]=4 1794 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [1,1,0,0,0,0|1,0,1]=4 1795 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [1,1,0,0,0,0|2,0,0]=4 1796 B11R1.22 N#CC(=O)c1ccc(cc1)O 271570a_203496583355_100009994572 [1,1,0,0,0,0|1,0,0]=3 1797 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [1,1,0,0,0,0|1,0,1]=4 1798 B11R1.22 NCC(=O)c1ccc(cc1)O 271570a_203496583355_100000017248 [1,1,0,0,0,0|1,0,0]=3 1799 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [1,1,0,0,0,0|1,0,1]=4 1800 B11R1.22 NNC(=O)c1ccc(cc1)O 271570a_203496583355_100000183614 [1,1,0,0,0,0|1,0,0]=3 1801 B11R1.22 NNC(=O)c1ccc(cn1)O 271570a_203496583355_100011781063 [1,1,0,0,0,0|2,0,0]=4 1802 B11R1.22 NNC(=O)c1ccc(nc1)O 271570a_203496583355_100000189807 [1,1,0,0,0,0|2,0,0]=4 1803 B11R1.22 O=C(CF)c1ccc(cc1)Br 1458a_100000185839_100015361967 [1,1,0,0,0,0|2,0,0]=4 1804 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [1,1,0,0,0,0|2,0,0]=4 1805 B11R1.22 O=C(CF)c1ccc(cc1)F 1458a_100000187176_100015361967 [1,1,0,0,0,0|2,0,0]=4 1806 B11R1.22 O=C(CF)c1ccc(cc1)I 1458a_100000187904_100015361967 [1,1,0,0,0,0|2,0,0]=4 1807 B11R1.22 O=C(CF)c1ccc(cc1)O 1458a_100000212099_100015361967 [1,1,0,0,0,0|1,0,0]=3 1808 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [1,1,0,0,0,0|0,0,0]=2 1809 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [1,1,0,0,0,0|0,0,1]=3 1810 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [1,1,0,0,0,0|0,0,2]=4 1811 B11R1.166 C=C(C)c1ccc(cc1Br)O 271570a_100000694244_100000701344 [1,1,0,0,0,0|2,0,0]=4 1812 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [1,1,0,0,0,0|2,0,0]=4 1813 B11R1.166 C=C(C)c1ccc(cc1Cl)O 271570a_100000694244_100000047559 [1,1,0,0,0,0|2,0,0]=4 1814 B11R1.166 C=C(C)c1ccc(cc1F)O 271570a_100000694244_100000755031 [1,1,0,0,0,0|2,0,0]=4 1815 B11R1.166 C=C(C)c1ccc(cc1N)O 271570a_100000694244_100011999798 [1,1,0,0,0,0|2,0,0]=4 1816 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [1,1,0,0,0,0|2,0,0]=4 1817 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [1,1,0,0,0,0|2,0,0]=4 1818 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [1,1,0,0,0,0|2,0,0]=4 1819 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [1,1,0,0,0,0|2,0,0]=4 1820 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [1,1,0,0,0,0|2,0,0]=4 1821 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [1,1,0,0,0,0|2,0,0]=4 1822 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [1,1,0,0,0,0|1,0,0]=3 1823 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [1,1,0,0,0,0|2,0,0]=4 1824 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [1,1,0,0,0,0|2,0,0]=4 1825 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [1,1,0,0,0,0|2,0,0]=4 1826 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [1,1,0,0,0,0|2,0,0]=4 1827 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [1,1,0,0,0,0|2,0,0]=4 1828 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [1,1,0,0,0,0|1,0,0]=3 1829 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [1,1,0,0,0,0|1,0,0]=3 1830 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [1,1,0,0,0,0|2,0,0]=4 1831 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [1,1,0,0,0,0|2,0,0]=4 1832 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [1,1,0,0,0,0|2,0,0]=4 1833 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [1,1,0,0,0,0|2,0,0]=4 1834 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [1,1,0,0,0,0|2,0,0]=4 1835 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [1,1,0,0,0,0|1,0,0]=3 1836 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [1,1,0,0,0,0|2,0,0]=4 1837 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [1,1,0,0,0,0|2,0,0]=4 1838 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [1,1,0,0,0,0|2,0,0]=4 1839 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [1,1,0,0,0,0|2,0,0]=4 1840 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [1,1,0,0,0,0|2,0,0]=4 1841 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [1,1,0,0,0,0|1,0,0]=3 1842 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [1,1,0,0,0,0|1,0,0]=3 1843 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [1,1,0,0,0,0|2,0,0]=4 1844 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [1,1,0,0,0,0|2,0,0]=4 1845 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [1,1,0,0,0,0|2,0,0]=4 1846 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [1,1,0,0,0,0|2,0,0]=4 1847 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [1,1,0,0,0,0|1,0,0]=3 1848 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [1,1,0,0,0,0|2,0,0]=4 1849 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [1,1,0,0,0,0|2,0,0]=4 1850 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [1,1,0,0,0,0|2,0,0]=4 1851 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [1,1,0,0,0,0|2,0,0]=4 1852 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [1,1,0,0,0,0|2,0,0]=4 1853 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [1,1,0,0,0,0|2,0,0]=4 1854 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [1,1,0,0,0,0|2,0,0]=4 1855 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [1,1,0,0,0,0|1,0,0]=3 1856 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [1,1,0,0,0,0|1,0,0]=3 1857 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [1,1,0,0,0,0|1,0,0]=3 1858 B11R1.166 CC(=O)c1ncc(cc1F)O 271570a_203496583355_100000696590 [1,1,0,0,0,0|2,0,0]=4 1859 B11R1.166 Cc1cc(ccc1B(O)O)O 271570a_203496583355_100010074995 [1,1,0,0,0,0|1,0,1]=4 1860 B11R1.166 Cc1cc(ccc1C(=O)N)O 271570a_203496583355_100011327924 [1,1,0,0,0,0|1,0,0]=3 1861 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [1,1,0,0,0,0|2,0,0]=4 1862 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [1,1,0,0,0,0|2,0,0]=4 1863 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [1,1,0,0,0,0|2,0,0]=4 1864 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [1,1,0,0,0,0|2,0,0]=4 1865 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [1,1,0,0,0,0|1,0,0]=3 1866 B11R1.166 Cc1cc(ncc1C(=O)N)O 271570a_203496583355_200134614278 [1,1,0,0,0,0|2,0,0]=4 1867 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [1,1,0,0,0,0|2,0,0]=4 1868 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [1,1,0,0,0,0|2,0,0]=4 1869 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [1,1,0,0,0,0|2,0,0]=4 1870 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [1,1,0,0,0,0|2,0,0]=4 1871 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [1,1,0,0,0,0|2,0,0]=4 1872 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [1,1,0,0,0,0|2,0,0]=4 1873 B11R1.166 NC(=O)c1ccc(cc1Br)O 271570a_203496583355_200010146565 [1,1,0,0,0,0|1,0,0]=3 1874 B11R1.166 NC(=O)c1ccc(cc1F)O 271570a_203496583355_100000216903 [1,1,0,0,0,0|1,0,0]=3 1875 B11R1.166 NC(=O)c1ccc(cc1N)O 271570a_203496583355_100012349972 [1,1,0,0,0,0|1,0,0]=3 1876 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [1,1,0,0,0,0|2,0,0]=4 1877 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [1,1,0,0,0,0|2,0,0]=4 1878 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [1,1,0,0,0,0|1,0,0]=3 1879 B11R1.166 NC(=O)c1ccc(nc1N)O 271570a_203496583355_100009875182 [1,1,0,0,0,0|2,0,0]=4 1880 B11R1.166 NC(=O)c1ncc(cc1F)O 271570a_203496583355_200010161073 [1,1,0,0,0,0|2,0,0]=4 1881 B11R1.166 NC(=O)c1ncc(cc1N)O 271570a_203496583355_100010235749 [1,1,0,0,0,0|2,0,0]=4 1882 B11R1.166 OB(O)c1ccc(cc1F)O 271570a_203496583355_100009813958 [1,1,0,0,0,0|1,0,1]=4 1883 B11R1.166 OB(O)c1ccc(cc1O)O 271570a_203496583355_100010158982 [1,1,0,0,0,0|1,0,1]=4 1884 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [1,1,0,0,0,0|2,0,0]=4 1885 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [1,1,0,0,0,0|2,0,0]=4 1886 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [1,1,0,0,0,0|2,0,0]=4 1887 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [1,1,0,0,0,0|2,0,0]=4 1888 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [1,1,0,0,0,0|1,0,0]=3 1889 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [1,1,0,0,0,0|2,0,0]=4 1890 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [1,1,0,0,0,0|2,0,0]=4 1891 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [1,1,0,0,0,0|2,0,0]=4 1892 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [1,1,0,0,0,0|2,0,0]=4 1893 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [1,1,0,0,0,0|1,0,0]=3 1894 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [1,1,0,0,0,0|2,0,0]=4 1895 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [1,1,0,0,0,0|2,0,0]=4 1896 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [1,1,0,0,0,0|2,0,0]=4 1897 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [1,1,0,0,0,0|2,0,0]=4 1898 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [1,1,0,0,0,0|1,0,0]=3 1899 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [1,1,0,0,0,0|2,0,0]=4 1900 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [1,1,0,0,0,0|2,0,0]=4 1901 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [1,1,0,0,0,0|2,0,0]=4 1902 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [1,1,0,0,0,0|2,0,0]=4 1903 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [1,1,0,0,0,0|2,0,0]=4 1904 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [1,1,0,0,0,0|2,0,0]=4 1905 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [1,1,0,0,0,0|2,0,0]=4 1906 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [1,1,0,0,0,0|1,0,0]=3 1907 B11R1.23 CCC(=O)c1cc(ccn1)O 271570a_203496583355_200000094848 [1,1,0,0,0,0|2,0,0]=4 1908 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [1,1,0,0,0,0|2,0,0]=4 1909 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [1,1,0,0,0,0|2,0,0]=4 1910 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [1,1,0,0,0,0|2,0,0]=4 1911 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [1,1,0,0,0,0|2,0,0]=4 1912 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [1,1,0,0,0,0|2,0,0]=4 1913 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [1,1,0,0,0,0|1,0,0]=3 1914 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [1,1,0,0,0,0|1,0,0]=3 1915 B11R1.23 CCC(=O)c1cccc(n1)O 271570a_203496583355_100011004013 [1,1,0,0,0,0|2,0,0]=4 1916 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [1,1,0,0,0,0|1,0,1]=4 1917 B11R1.23 CNC(=O)c1cc(ccn1)O 271570a_203496583355_100000204654 [1,1,0,0,0,0|2,0,0]=4 1918 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [1,1,0,0,0,0|2,0,0]=4 1919 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [1,1,0,0,0,0|2,0,0]=4 1920 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [1,1,0,0,0,0|2,0,0]=4 1921 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [1,1,0,0,0,0|2,0,0]=4 1922 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [1,1,0,0,0,0|2,0,0]=4 1923 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [1,1,0,0,0,0|2,0,0]=4 1924 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [1,1,0,0,0,0|2,0,0]=4 1925 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [1,1,0,0,0,0|2,0,0]=4 1926 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [1,1,0,0,0,0|2,0,0]=4 1927 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [1,1,0,0,0,0|2,0,0]=4 1928 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [1,1,0,0,0,0|2,0,0]=4 1929 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [1,1,0,0,0,0|2,0,0]=4 1930 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [1,1,0,0,0,0|2,0,0]=4 1931 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [1,1,0,0,0,0|2,0,0]=4 1932 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [1,1,0,0,0,0|2,0,0]=4 1933 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [1,1,0,0,0,0|2,0,0]=4 1934 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [1,1,0,0,0,0|2,0,0]=4 1935 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [1,1,0,0,0,0|2,0,0]=4 1936 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [1,1,0,0,0,0|2,0,0]=4 1937 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [1,1,0,0,0,0|2,0,0]=4 1938 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [1,1,0,0,0,0|1,0,0]=3 1939 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [1,1,0,0,0,0|1,0,0]=3 1940 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [1,1,0,0,0,0|1,0,0]=3 1941 B11R1.23 CNC(=O)c1cccc(n1)O 271570a_203496583355_100000755456 [1,1,0,0,0,0|2,0,0]=4 1942 B11R1.23 CNC(=O)c1ccnc(c1)O 271570a_203496583355_100011196506 [1,1,0,0,0,0|2,0,0]=4 1943 B11R1.23 CNC(=O)c1cncc(c1)O 271570a_203496583355_200000155086 [1,1,0,0,0,0|2,0,0]=4 1944 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [1,1,0,0,0,0|1,0,0]=3 1945 B11R1.23 COC(=O)c1cc(ncn1)O 271570a_203496583355_100000051410 [1,1,0,0,0,0|2,0,0]=4 1946 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [1,1,0,0,0,0|0,0,0]=2 1947 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [1,1,0,0,0,0|1,0,0]=3 1948 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [1,1,0,0,0,0|1,0,0]=3 1949 B11R1.23 COC(=O)c1ccnc(n1)O 271570a_203496583355_100000070389 [1,1,0,0,0,0|2,0,0]=4 1950 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [1,1,0,0,0,0|1,0,0]=3 1951 B11R1.23 COC(=O)c1cncc(n1)O 271570a_203496583355_100000765340 [1,1,0,0,0,0|2,0,0]=4 1952 B11R1.23 COC(=O)c1cnnc(c1)O 271570a_203496583355_100009862058 [1,1,0,0,0,0|2,0,0]=4 1953 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [1,1,0,0,0,0|2,0,0]=4 1954 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [1,1,0,0,0,0|1,0,0]=3 1955 B11R1.23 NC(CO)c1cccc(c1)O 271570a_203496583355_100000690078 [1,1,0,0,0,0|1,0,1]=4 1956 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [1,1,0,0,0,0|1,0,0]=3 1957 B11R1.23 NNC(=O)c1cc(ccn1)O 271570a_203496583355_100000017052 [1,1,0,0,0,0|2,0,0]=4 1958 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [1,1,0,0,0,0|1,0,0]=3 1959 B11R1.23 NNC(=O)c1cccc(n1)O 271570a_203496583355_100011631096 [1,1,0,0,0,0|2,0,0]=4 1960 B11R1.23 NNC(=O)c1ccnc(c1)O 271570a_203496583355_100000021280 [1,1,0,0,0,0|2,0,0]=4 1961 B11R1.23 NNC(=O)c1cncc(c1)O 271570a_203496583355_100000189809 [1,1,0,0,0,0|2,0,0]=4 1962 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [1,1,0,0,0,0|2,0,0]=4 1963 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [1,1,0,0,0,0|2,0,0]=4 1964 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [1,1,0,0,0,0|2,0,0]=4 1965 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [1,1,0,0,0,0|2,0,0]=4 1966 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [1,1,0,0,0,0|1,0,0]=3 1967 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [1,1,0,0,0,0|0,0,1]=3 1968 B11R1.74 C=C(C)c1cc(cc(c1)Br)O 271570a_100000694244_100010068917 [1,1,0,0,0,0|2,0,0]=4 1969 B11R1.74 C=C(C)c1cc(cc(c1)Cl)O 271570a_100000694244_100010068924 [1,1,0,0,0,0|2,0,0]=4 1970 B11R1.74 C=C(C)c1cc(cc(c1)F)O 271570a_100000694244_100000717995 [1,1,0,0,0,0|2,0,0]=4 1971 B11R1.74 C=C(C)c1cc(cc(c1)O)C 271570a_100000694244_100011999630 [1,1,0,0,0,0|2,0,0]=4 1972 B11R1.74 C=C(C)c1cc(cc(c1)O)O 271570a_100000694244_100009868816 [1,1,0,0,0,0|2,0,0]=4 1973 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200000210301 [1,1,0,0,0,0|2,0,0]=4 1974 B11R1.74 CC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_200000210301 [1,1,0,0,0,0|2,0,0]=4 1975 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200000210301 [1,1,0,0,0,0|2,0,0]=4 1976 B11R1.74 CC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200000210301 [1,1,0,0,0,0|2,0,0]=4 1977 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200000210301 [1,1,0,0,0,0|1,0,0]=3 1978 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100010005435 [1,1,0,0,0,0|1,0,0]=3 1979 B11R1.74 CC(=O)c1cc(cc(c1)C)C 1458a_100000210874_200000210301 [1,1,0,0,0,0|2,0,0]=4 1980 B11R1.74 CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_200000210301 [1,1,0,0,0,0|2,0,0]=4 1981 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200000210301 [1,1,0,0,0,0|2,0,0]=4 1982 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200000210301 [1,1,0,0,0,0|2,0,0]=4 1983 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200000210301 [1,1,0,0,0,0|1,0,0]=3 1984 B11R1.74 CC(=O)c1cc(cc(c1)F)C 1458a_100000763163_200000210301 [1,1,0,0,0,0|2,0,0]=4 1985 B11R1.74 CC(=O)c1cc(cc(c1)F)F 1458a_100000211655_200000210301 [1,1,0,0,0,0|2,0,0]=4 1986 B11R1.74 CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_200000210301 [1,1,0,0,0,0|1,0,0]=3 1987 B11R1.74 CC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100012361402 [1,1,0,0,0,0|1,0,0]=3 1988 B11R1.74 CC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200000210301 [1,1,0,0,0,0|2,0,0]=4 1989 B11R1.74 CC(=O)c1cc(cc(c1)I)C 1458a_100000729426_200000210301 [1,1,0,0,0,0|2,0,0]=4 1990 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200000210301 [1,1,0,0,0,0|2,0,0]=4 1991 B11R1.74 CC(=O)c1cc(cc(c1)I)F 1458a_100012047268_200000210301 [1,1,0,0,0,0|2,0,0]=4 1992 B11R1.74 CC(=O)c1cc(cc(c1)I)I 1458a_100011204819_200000210301 [1,1,0,0,0,0|2,0,0]=4 1993 B11R1.74 CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_200000210301 [1,1,0,0,0,0|1,0,0]=3 1994 B11R1.74 CC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100000694479 [1,1,0,0,0,0|1,0,0]=3 1995 B11R1.74 CC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100009884196 [1,1,0,0,0,0|2,0,0]=4 1996 B11R1.74 Cc1cc(cc(c1)B(O)O)O 271570a_203496583355_100009814731 [1,1,0,0,0,0|1,0,1]=4 1997 B11R1.74 Cc1cc(cc(c1)C(=O)N)O 271570a_203496583355_200012348365 [1,1,0,0,0,0|1,0,0]=3 1998 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100000760426_200025704644 [1,1,0,0,0,0|2,0,0]=4 1999 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000210874_200025704644 [1,1,0,0,0,0|2,0,0]=4 2000 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000684526_200025704644 [1,1,0,0,0,0|2,0,0]=4 2001 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])F 1458a_100000763163_200025704644 [1,1,0,0,0,0|2,0,0]=4 2002 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])I 1458a_100000729426_200025704644 [1,1,0,0,0,0|2,0,0]=4 2003 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000094094_200025704644 [1,1,0,0,0,0|1,0,0]=3 2004 B11R1.74 NC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011280034 [1,1,0,0,0,0|1,0,0]=3 2005 B11R1.74 NC(=O)c1cc(cc(c1)O)O 271570a_203496583355_100010084318 [1,1,0,0,0,0|1,0,0]=3 2006 B11R1.74 OB(O)c1cc(cc(c1)F)O 271570a_203496583355_100009814746 [1,1,0,0,0,0|1,0,1]=4 2007 B11R1.74 OB(O)c1cc(cc(c1)O)O 271570a_203496583355_100010062373 [1,1,0,0,0,0|1,0,1]=4 2008 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200025704644 [1,1,0,0,0,0|2,0,0]=4 2009 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200025704644 [1,1,0,0,0,0|2,0,0]=4 2010 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200025704644 [1,1,0,0,0,0|2,0,0]=4 2011 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200025704644 [1,1,0,0,0,0|1,0,0]=3 2012 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200025704644 [1,1,0,0,0,0|2,0,0]=4 2013 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200025704644 [1,1,0,0,0,0|2,0,0]=4 2014 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200025704644 [1,1,0,0,0,0|1,0,0]=3 2015 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)F 1458a_100000211655_200025704644 [1,1,0,0,0,0|2,0,0]=4 2016 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)O 1458a_100012017291_200025704644 [1,1,0,0,0,0|1,0,0]=3 2017 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200025704644 [1,1,0,0,0,0|2,0,0]=4 2018 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200025704644 [1,1,0,0,0,0|2,0,0]=4 2019 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)F 1458a_100012047268_200025704644 [1,1,0,0,0,0|2,0,0]=4 2020 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)I 1458a_100011204819_200025704644 [1,1,0,0,0,0|2,0,0]=4 2021 B11R1.155 CC(C)(O)c1cccc(c1)O 271570a_203496583355_100011346009 [1,1,0,0,0,0|1,0,1]=4 2022 B11R1.155 CS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100009815773 [1,1,0,0,0,0|1,0,1]=4 2023 B11R1.155 NS(=O)(=O)c1cccc(c1)O 271570a_203496583355_100000164563 [1,1,0,0,0,0|1,0,1]=4 2024 B11R1.159 C=C(C)c1cccc(c1Br)O 271570a_100000694244_100010187914 [1,1,0,0,0,0|2,0,0]=4 2025 B11R1.159 C=C(C)c1cccc(c1C)O 271570a_100000694244_100012002258 [1,1,0,0,0,0|2,0,0]=4 2026 B11R1.159 C=C(C)c1cccc(c1Cl)O 271570a_100000694244_100000049636 [1,1,0,0,0,0|2,0,0]=4 2027 B11R1.159 C=C(C)c1cccc(c1F)O 271570a_100000694244_100009817021 [1,1,0,0,0,0|2,0,0]=4 2028 B11R1.159 C=C(C)c1cccc(c1N)O 271570a_100000694244_100011934926 [1,1,0,0,0,0|2,0,0]=4 2029 B11R1.159 C=C(C)c1cccc(c1O)O 271570a_100000694244_100009815950 [1,1,0,0,0,0|2,0,0]=4 2030 B11R1.159 CC(=O)c1cccc(c1Br)Br 1458a_100012360534_200000210301 [1,1,0,0,0,0|2,0,0]=4 2031 B11R1.159 CC(=O)c1cccc(c1Br)C 1458a_100000692419_200000210301 [1,1,0,0,0,0|2,0,0]=4 2032 B11R1.159 CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_200000210301 [1,1,0,0,0,0|2,0,0]=4 2033 B11R1.159 CC(=O)c1cccc(c1Br)F 1458a_100011217547_200000210301 [1,1,0,0,0,0|2,0,0]=4 2034 B11R1.159 CC(=O)c1cccc(c1Br)I 1458a_100010232522_200000210301 [1,1,0,0,0,0|2,0,0]=4 2035 B11R1.159 CC(=O)c1cccc(c1Br)O 1458a_100010230362_200000210301 [1,1,0,0,0,0|1,0,0]=3 2036 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [1,1,0,0,0,0|2,0,0]=4 2037 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [1,1,0,0,0,0|2,0,0]=4 2038 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [1,1,0,0,0,0|2,0,0]=4 2039 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [1,1,0,0,0,0|2,0,0]=4 2040 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [1,1,0,0,0,0|2,0,0]=4 2041 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [1,1,0,0,0,0|1,0,0]=3 2042 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [1,1,0,0,0,0|1,0,0]=3 2043 B11R1.159 CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_200000210301 [1,1,0,0,0,0|2,0,0]=4 2044 B11R1.159 CC(=O)c1cccc(c1Cl)C 1458a_100000693142_200000210301 [1,1,0,0,0,0|2,0,0]=4 2045 B11R1.159 CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200000210301 [1,1,0,0,0,0|2,0,0]=4 2046 B11R1.159 CC(=O)c1cccc(c1Cl)F 1458a_100000759904_200000210301 [1,1,0,0,0,0|2,0,0]=4 2047 B11R1.159 CC(=O)c1cccc(c1Cl)I 1458a_100010176783_200000210301 [1,1,0,0,0,0|2,0,0]=4 2048 B11R1.159 CC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000210301 [1,1,0,0,0,0|1,0,0]=3 2049 B11R1.159 CC(=O)c1cccc(c1F)Br 1458a_100000756403_200000210301 [1,1,0,0,0,0|2,0,0]=4 2050 B11R1.159 CC(=O)c1cccc(c1F)C 1458a_100000766181_200000210301 [1,1,0,0,0,0|2,0,0]=4 2051 B11R1.159 CC(=O)c1cccc(c1F)Cl 1458a_100000688816_200000210301 [1,1,0,0,0,0|2,0,0]=4 2052 B11R1.159 CC(=O)c1cccc(c1F)F 1458a_100000748134_200000210301 [1,1,0,0,0,0|2,0,0]=4 2053 B11R1.159 CC(=O)c1cccc(c1F)I 1458a_100010185205_200000210301 [1,1,0,0,0,0|2,0,0]=4 2054 B11R1.159 CC(=O)c1cccc(c1F)O 1458a_100000037433_200000210301 [1,1,0,0,0,0|1,0,0]=3 2055 B11R1.159 CC(=O)c1cccc(c1F)O 271570a_203496583355_100012355707 [1,1,0,0,0,0|1,0,0]=3 2056 B11R1.159 CC(=O)c1cccc(c1I)Br 1458a_100000688019_200000210301 [1,1,0,0,0,0|2,0,0]=4 2057 B11R1.159 CC(=O)c1cccc(c1I)C 1458a_100000739377_200000210301 [1,1,0,0,0,0|2,0,0]=4 2058 B11R1.159 CC(=O)c1cccc(c1I)Cl 1458a_100010176784_200000210301 [1,1,0,0,0,0|2,0,0]=4 2059 B11R1.159 CC(=O)c1cccc(c1I)F 1458a_100000690930_200000210301 [1,1,0,0,0,0|2,0,0]=4 2060 B11R1.159 CC(=O)c1cccc(c1I)O 1458a_100010084636_200000210301 [1,1,0,0,0,0|1,0,0]=3 2061 B11R1.159 CC(=O)c1cccc(c1O)Br 1458a_100000752940_200000210301 [1,1,0,0,0,0|2,0,0]=4 2062 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [1,1,0,0,0,0|2,0,0]=4 2063 B11R1.159 CC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000210301 [1,1,0,0,0,0|2,0,0]=4 2064 B11R1.159 CC(=O)c1cccc(c1O)F 1458a_100011217230_200000210301 [1,1,0,0,0,0|2,0,0]=4 2065 B11R1.159 CC(=O)c1cccc(c1O)F 271570a_203496583355_100012362612 [1,1,0,0,0,0|2,0,0]=4 2066 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [1,1,0,0,0,0|1,0,0]=3 2067 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [1,1,0,0,0,0|1,0,0]=3 2068 B11R1.159 CC(=O)c1ccnc(c1N)O 271570a_203496583355_200000063496 [1,1,0,0,0,0|2,0,0]=4 2069 B11R1.159 CC(=O)c1nccc(c1F)O 271570a_203496583355_100010729024 [1,1,0,0,0,0|2,0,0]=4 2070 B11R1.159 CC(O)c1cccc(c1F)O 271570a_203496583355_200012356376 [1,1,0,0,0,0|1,0,1]=4 2071 B11R1.159 Cc1c(cccc1B(O)O)O 271570a_203496583355_100000724322 [1,1,0,0,0,0|1,0,1]=4 2072 B11R1.159 Cc1c(cccc1C(=O)N)O 271570a_203496583355_200012298201 [1,1,0,0,0,0|1,0,0]=3 2073 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [1,1,0,0,0,0|2,0,0]=4 2074 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [1,1,0,0,0,0|2,0,0]=4 2075 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [1,1,0,0,0,0|2,0,0]=4 2076 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [1,1,0,0,0,0|2,0,0]=4 2077 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [1,1,0,0,0,0|1,0,0]=3 2078 B11R1.159 Cc1cccc(c1Br)C(=O)[13CH3] 1458a_100000692419_200025704644 [1,1,0,0,0,0|2,0,0]=4 2079 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [1,1,0,0,0,0|2,0,0]=4 2080 B11R1.159 Cc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000693142_200025704644 [1,1,0,0,0,0|2,0,0]=4 2081 B11R1.159 Cc1cccc(c1F)C(=O)[13CH3] 1458a_100000766181_200025704644 [1,1,0,0,0,0|2,0,0]=4 2082 B11R1.159 Cc1cccc(c1I)C(=O)[13CH3] 1458a_100000739377_200025704644 [1,1,0,0,0,0|2,0,0]=4 2083 B11R1.159 Cc1cccc(c1O)C(=O)N 271570a_203496583355_200011409216 [1,1,0,0,0,0|2,0,0]=4 2084 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [1,1,0,0,0,0|2,0,0]=4 2085 B11R1.159 NC(=O)c1cccc(c1F)O 271570a_203496583355_100012351131 [1,1,0,0,0,0|1,0,0]=3 2086 B11R1.159 NC(=O)c1cccc(c1N)O 271570a_203496583355_100010144993 [1,1,0,0,0,0|1,0,0]=3 2087 B11R1.159 NC(=O)c1cccc(c1O)F 271570a_203496583355_200012351544 [1,1,0,0,0,0|2,0,0]=4 2088 B11R1.159 NC(=O)c1ccnc(c1N)O 271570a_203496583355_100000080204 [1,1,0,0,0,0|2,0,0]=4 2089 B11R1.159 OB(O)c1cccc(c1F)O 271570a_203496583355_100011934463 [1,1,0,0,0,0|1,0,1]=4 2090 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Br 1458a_100012360534_200025704644 [1,1,0,0,0,0|2,0,0]=4 2091 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Cl 1458a_100012339722_200025704644 [1,1,0,0,0,0|2,0,0]=4 2092 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)F 1458a_100011217547_200025704644 [1,1,0,0,0,0|2,0,0]=4 2093 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)I 1458a_100010232522_200025704644 [1,1,0,0,0,0|2,0,0]=4 2094 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)O 1458a_100010230362_200025704644 [1,1,0,0,0,0|1,0,0]=3 2095 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Br 1458a_100000760540_200025704644 [1,1,0,0,0,0|2,0,0]=4 2096 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200025704644 [1,1,0,0,0,0|2,0,0]=4 2097 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)F 1458a_100000759904_200025704644 [1,1,0,0,0,0|2,0,0]=4 2098 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)I 1458a_100010176783_200025704644 [1,1,0,0,0,0|2,0,0]=4 2099 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)O 1458a_100000092362_200025704644 [1,1,0,0,0,0|1,0,0]=3 2100 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Br 1458a_100000756403_200025704644 [1,1,0,0,0,0|2,0,0]=4 2101 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Cl 1458a_100000688816_200025704644 [1,1,0,0,0,0|2,0,0]=4 2102 B11R1.159 [13CH3]C(=O)c1cccc(c1F)F 1458a_100000748134_200025704644 [1,1,0,0,0,0|2,0,0]=4 2103 B11R1.159 [13CH3]C(=O)c1cccc(c1F)I 1458a_100010185205_200025704644 [1,1,0,0,0,0|2,0,0]=4 2104 B11R1.159 [13CH3]C(=O)c1cccc(c1F)O 1458a_100000037433_200025704644 [1,1,0,0,0,0|1,0,0]=3 2105 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Br 1458a_100000688019_200025704644 [1,1,0,0,0,0|2,0,0]=4 2106 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Cl 1458a_100010176784_200025704644 [1,1,0,0,0,0|2,0,0]=4 2107 B11R1.159 [13CH3]C(=O)c1cccc(c1I)F 1458a_100000690930_200025704644 [1,1,0,0,0,0|2,0,0]=4 2108 B11R1.159 [13CH3]C(=O)c1cccc(c1I)O 1458a_100010084636_200025704644 [1,1,0,0,0,0|1,0,0]=3 2109 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Br 1458a_100000752940_200025704644 [1,1,0,0,0,0|2,0,0]=4 2110 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Cl 1458a_100000742801_200025704644 [1,1,0,0,0,0|2,0,0]=4 2111 B11R1.159 [13CH3]C(=O)c1cccc(c1O)F 1458a_100011217230_200025704644 [1,1,0,0,0,0|2,0,0]=4 2112 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [1,1,0,0,0,0|1,0,0]=3 2113 B11R1.167 C=C(C)c1cc(ccc1Br)O 271570a_100000694244_100012339312 [1,1,0,0,0,0|2,0,0]=4 2114 B11R1.167 C=C(C)c1cc(ccc1C)O 271570a_100000694244_100011380479 [1,1,0,0,0,0|2,0,0]=4 2115 B11R1.167 C=C(C)c1cc(ccc1Cl)O 271570a_100000694244_100000049588 [1,1,0,0,0,0|2,0,0]=4 2116 B11R1.167 C=C(C)c1cc(ccc1F)O 271570a_100000694244_100000693481 [1,1,0,0,0,0|2,0,0]=4 2117 B11R1.167 C=C(C)c1cc(ccc1N)O 271570a_100000694244_100012001276 [1,1,0,0,0,0|2,0,0]=4 2118 B11R1.167 C=C(C)c1cc(ccc1O)O 271570a_100000694244_100009813629 [1,1,0,0,0,0|2,0,0]=4 2119 B11R1.167 CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000210301 [1,1,0,0,0,0|2,0,0]=4 2120 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [1,1,0,0,0,0|2,0,0]=4 2121 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [1,1,0,0,0,0|2,0,0]=4 2122 B11R1.167 CC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000210301 [1,1,0,0,0,0|2,0,0]=4 2123 B11R1.167 CC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000210301 [1,1,0,0,0,0|2,0,0]=4 2124 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [1,1,0,0,0,0|1,0,0]=3 2125 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [1,1,0,0,0,0|2,0,0]=4 2126 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [1,1,0,0,0,0|2,0,0]=4 2127 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [1,1,0,0,0,0|2,0,0]=4 2128 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [1,1,0,0,0,0|2,0,0]=4 2129 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [1,1,0,0,0,0|2,0,0]=4 2130 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [1,1,0,0,0,0|1,0,0]=3 2131 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [1,1,0,0,0,0|1,0,0]=3 2132 B11R1.167 CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000210301 [1,1,0,0,0,0|2,0,0]=4 2133 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [1,1,0,0,0,0|2,0,0]=4 2134 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [1,1,0,0,0,0|2,0,0]=4 2135 B11R1.167 CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000210301 [1,1,0,0,0,0|2,0,0]=4 2136 B11R1.167 CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000210301 [1,1,0,0,0,0|2,0,0]=4 2137 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [1,1,0,0,0,0|1,0,0]=3 2138 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [1,1,0,0,0,0|1,0,0]=3 2139 B11R1.167 CC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000210301 [1,1,0,0,0,0|2,0,0]=4 2140 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [1,1,0,0,0,0|2,0,0]=4 2141 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [1,1,0,0,0,0|2,0,0]=4 2142 B11R1.167 CC(=O)c1cc(ccc1F)F 1458a_100000198512_200000210301 [1,1,0,0,0,0|2,0,0]=4 2143 B11R1.167 CC(=O)c1cc(ccc1F)I 1458a_100000688014_200000210301 [1,1,0,0,0,0|2,0,0]=4 2144 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [1,1,0,0,0,0|1,0,0]=3 2145 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [1,1,0,0,0,0|1,0,0]=3 2146 B11R1.167 CC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000210301 [1,1,0,0,0,0|2,0,0]=4 2147 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [1,1,0,0,0,0|2,0,0]=4 2148 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [1,1,0,0,0,0|2,0,0]=4 2149 B11R1.167 CC(=O)c1cc(ccc1I)F 1458a_100000748905_200000210301 [1,1,0,0,0,0|2,0,0]=4 2150 B11R1.167 CC(=O)c1cc(ccc1I)I 1458a_100000750460_200000210301 [1,1,0,0,0,0|2,0,0]=4 2151 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [1,1,0,0,0,0|1,0,0]=3 2152 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [1,1,0,0,0,0|1,0,0]=3 2153 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [1,1,0,0,0,0|2,0,0]=4 2154 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [1,1,0,0,0,0|2,0,0]=4 2155 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [1,1,0,0,0,0|2,0,0]=4 2156 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [1,1,0,0,0,0|2,0,0]=4 2157 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [1,1,0,0,0,0|2,0,0]=4 2158 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [1,1,0,0,0,0|2,0,0]=4 2159 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [1,1,0,0,0,0|2,0,0]=4 2160 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [1,1,0,0,0,0|2,0,0]=4 2161 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [1,1,0,0,0,0|2,0,0]=4 2162 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [1,1,0,0,0,0|1,0,0]=3 2163 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [1,1,0,0,0,0|1,0,0]=3 2164 B11R1.167 CC(=O)c1cc(cnc1C)O 271570a_203496583355_100138557192 [1,1,0,0,0,0|2,0,0]=4 2165 B11R1.167 CC(=O)c1cc(cnc1F)O 271570a_203496583355_100010254234 [1,1,0,0,0,0|2,0,0]=4 2166 B11R1.167 CC(=O)c1cc(cnc1N)O 271570a_203496583355_100010173950 [1,1,0,0,0,0|2,0,0]=4 2167 B11R1.167 CC(=O)c1cc(ncc1F)O 271570a_203496583355_100000697832 [1,1,0,0,0,0|2,0,0]=4 2168 B11R1.167 CC(=O)c1nc(ccc1F)O 271570a_203496583355_100009887703 [1,1,0,0,0,0|2,0,0]=4 2169 B11R1.167 CC(O)c1cc(ccc1F)O 271570a_203496583355_100011943926 [1,1,0,0,0,0|1,0,1]=4 2170 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 271570a_203496583355_200012349609 [1,1,0,0,0,0|2,0,0]=4 2171 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [1,1,0,0,0,0|2,0,0]=4 2172 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [1,1,0,0,0,0|2,0,0]=4 2173 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [1,1,0,0,0,0|2,0,0]=4 2174 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [1,1,0,0,0,0|2,0,0]=4 2175 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [1,1,0,0,0,0|2,0,0]=4 2176 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [1,1,0,0,0,0|2,0,0]=4 2177 B11R1.167 Cc1ccc(cc1B(O)O)O 271570a_203496583355_100010223188 [1,1,0,0,0,0|1,0,1]=4 2178 B11R1.167 Cc1ccc(cc1C(=O)N)O 271570a_203496583355_100012257281 [1,1,0,0,0,0|1,0,0]=3 2179 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [1,1,0,0,0,0|2,0,0]=4 2180 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [1,1,0,0,0,0|2,0,0]=4 2181 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [1,1,0,0,0,0|2,0,0]=4 2182 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [1,1,0,0,0,0|2,0,0]=4 2183 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [1,1,0,0,0,0|1,0,0]=3 2184 B11R1.167 NC(=O)c1cc(ccc1F)O 271570a_203496583355_100000162119 [1,1,0,0,0,0|1,0,0]=3 2185 B11R1.167 NC(=O)c1cc(ccc1N)O 271570a_203496583355_100000740421 [1,1,0,0,0,0|1,0,0]=3 2186 B11R1.167 NC(=O)c1cc(ccc1O)Br 271570a_203496583355_200000162314 [1,1,0,0,0,0|2,0,0]=4 2187 B11R1.167 NC(=O)c1cc(ccc1O)F 271570a_203496583355_100000206434 [1,1,0,0,0,0|2,0,0]=4 2188 B11R1.167 NC(=O)c1cc(ccc1O)N 271570a_203496583355_100015186447 [1,1,0,0,0,0|2,0,0]=4 2189 B11R1.167 NC(=O)c1cc(ccc1O)O 271570a_203496583355_100000192807 [1,1,0,0,0,0|1,0,0]=3 2190 B11R1.167 NC(=O)c1cc(cnc1N)O 271570a_203496583355_100000701294 [1,1,0,0,0,0|2,0,0]=4 2191 B11R1.167 NC(=O)c1cc(ncc1F)O 271570a_203496583355_100015943597 [1,1,0,0,0,0|2,0,0]=4 2192 B11R1.167 NC(=O)c1cc(ncc1N)O 271570a_203496583355_100012003536 [1,1,0,0,0,0|2,0,0]=4 2193 B11R1.167 NC(=O)c1nc(ccc1N)O 271570a_203496583355_100000093116 [1,1,0,0,0,0|2,0,0]=4 2194 B11R1.167 OB(O)c1cc(ccc1Br)O 271570a_203496583355_200010171685 [1,1,0,0,0,0|1,0,1]=4 2195 B11R1.167 OB(O)c1cc(ccc1F)O 271570a_203496583355_100011356809 [1,1,0,0,0,0|1,0,1]=4 2196 B11R1.167 OB(O)c1cc(ccc1O)O 271570a_203496583355_200009814749 [1,1,0,0,0,0|1,0,1]=4 2197 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Br 1458a_100000690610_200025704644 [1,1,0,0,0,0|2,0,0]=4 2198 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [1,1,0,0,0,0|2,0,0]=4 2199 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)F 1458a_100000212315_200025704644 [1,1,0,0,0,0|2,0,0]=4 2200 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)I 1458a_100000698340_200025704644 [1,1,0,0,0,0|2,0,0]=4 2201 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [1,1,0,0,0,0|1,0,0]=3 2202 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200025704644 [1,1,0,0,0,0|2,0,0]=4 2203 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [1,1,0,0,0,0|2,0,0]=4 2204 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)F 1458a_100011219680_200025704644 [1,1,0,0,0,0|2,0,0]=4 2205 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)I 1458a_100000688013_200025704644 [1,1,0,0,0,0|2,0,0]=4 2206 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [1,1,0,0,0,0|1,0,0]=3 2207 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Br 1458a_100000212322_200025704644 [1,1,0,0,0,0|2,0,0]=4 2208 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [1,1,0,0,0,0|2,0,0]=4 2209 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)F 1458a_100000198512_200025704644 [1,1,0,0,0,0|2,0,0]=4 2210 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)I 1458a_100000688014_200025704644 [1,1,0,0,0,0|2,0,0]=4 2211 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [1,1,0,0,0,0|1,0,0]=3 2212 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Br 1458a_100000183945_200025704644 [1,1,0,0,0,0|2,0,0]=4 2213 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [1,1,0,0,0,0|2,0,0]=4 2214 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)F 1458a_100000748905_200025704644 [1,1,0,0,0,0|2,0,0]=4 2215 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)I 1458a_100000750460_200025704644 [1,1,0,0,0,0|2,0,0]=4 2216 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [1,1,0,0,0,0|1,0,0]=3 2217 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [1,1,0,0,0,0|2,0,0]=4 2218 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [1,1,0,0,0,0|2,0,0]=4 2219 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [1,1,0,0,0,0|2,0,0]=4 2220 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [1,1,0,0,0,0|2,0,0]=4 2221 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [1,1,0,0,0,0|1,0,0]=3 2222 B11R1.266 C#Cc1cccc(c1)C(=O)C 1458a_100011997762_200000210301 [1,1,0,0,0,0|2,0,0]=4 2223 B11R1.266 C#Cc1cccc(c1)C(=O)[13CH3] 1458a_100011997762_200025704644 [1,1,0,0,0,0|2,0,0]=4 2224 B11R1.266 C=C(C)c1cccc(c1)CO 271570a_100000694244_100000687537 [1,1,0,0,0,0|2,0,0]=4 2225 B11R1.266 C=C(C)c1cccc(c1)OC 271570a_100000694244_100000170001 [1,1,0,0,0,0|2,0,0]=4 2226 B11R1.266 C=Cc1cccc(c1)C(=O)C 1458a_100011215009_200000210301 [1,1,0,0,0,0|2,0,0]=4 2227 B11R1.266 C=Cc1cccc(c1)C(=O)C 271570a_100011290941_100000210093 [1,1,0,0,0,0|2,0,0]=4 2228 B11R1.266 C=Cc1cccc(c1)C(=O)N 271570a_100011290941_100000162208 [1,1,0,0,0,0|2,0,0]=4 2229 B11R1.266 C=Cc1cccc(c1)C(=O)[13CH3] 1458a_100011215009_200025704644 [1,1,0,0,0,0|2,0,0]=4 2230 B11R1.266 CC(=O)c1cccc(c1)C#N 1458a_100000183950_200000210301 [1,1,0,0,0,0|2,0,0]=4 2231 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [1,1,0,0,0,0|1,0,0]=3 2232 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [1,1,0,0,0,0|1,0,0]=3 2233 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [1,1,0,0,0,0|1,0,0]=3 2234 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [1,1,0,0,0,0|1,1,0]=4 2235 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [1,1,0,0,0,0|1,1,0]=4 2236 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 34a_100000748013_200025704644 [1,1,0,0,0,0|1,0,1]=4 2237 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 7a_100000748013_200025704644 [1,1,0,0,0,0|1,0,1]=4 2238 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [1,1,0,0,0,0|2,0,0]=4 2239 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [1,1,0,0,0,0|2,0,0]=4 2240 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [1,1,0,0,0,0|2,0,0]=4 2241 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [1,1,0,0,0,0|1,0,0]=3 2242 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [1,1,0,0,0,0|1,0,0]=3 2243 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [1,1,0,0,0,0|1,0,0]=3 2244 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [1,1,0,0,0,0|1,0,0]=3 2245 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [1,1,0,0,0,0|1,0,0]=3 2246 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [1,1,0,0,0,0|1,0,0]=3 2247 B11R1.266 COc1cccc(c1)C(=S)N 7a_100000738086_200000210301 [1,1,0,0,0,0|1,1,0]=4 2248 B11R1.266 COc1cccc(c1)C(C)O 34a_100000748013_200000210301 [1,1,0,0,0,0|1,0,1]=4 2249 B11R1.266 COc1cccc(c1)C(C)O 7a_100000748013_200000210301 [1,1,0,0,0,0|1,0,1]=4 2250 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200000210301 [1,1,0,0,0,0|1,0,1]=4 2251 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200000210301 [1,1,0,0,0,0|1,0,1]=4 2252 B11R1.266 COc1cncc(c1)C(=O)N 7a_100000698036_200000210301 [1,1,0,0,0,0|2,0,0]=4 2253 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [1,1,0,0,0,0|1,1,0]=4 2254 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [1,1,0,0,0,0|1,1,0]=4 2255 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [1,1,0,0,0,0|1,1,0]=4 2256 B11R1.266 CSc1cccc(c1)C(=O)N 62a_100000162208_200000210301 [1,1,0,0,0,0|1,1,0]=4 2257 B11R1.266 CSc1cccc(c1)C(=O)N 62a_200000210301_100000162208 [1,1,0,0,0,0|1,1,0]=4 2258 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [1,1,0,0,0,0|1,1,0]=4 2259 B11R1.266 [13CH3]C(=O)c1cccc(c1)C#N 1458a_100000183950_200025704644 [1,1,0,0,0,0|2,0,0]=4 2260 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [1,1,0,0,0,0|1,0,0]=3 2261 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [1,1,0,0,0,0|2,0,0]=4 2262 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [1,1,0,0,0,0|1,0,0]=3 2263 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [1,1,0,0,0,0|1,0,0]=3 2264 B11R1.266 [13CH3]Oc1cccc(c1)C(=S)N 7a_100000738086_200025704644 [1,1,0,0,0,0|1,1,0]=4 2265 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200025704644 [1,1,0,0,0,0|1,0,1]=4 2266 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200025704644 [1,1,0,0,0,0|1,0,1]=4 2267 B11R1.266 [13CH3]Oc1cncc(c1)C(=O)N 7a_100000698036_200025704644 [1,1,0,0,0,0|2,0,0]=4 2268 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_100000162208_200025704644 [1,1,0,0,0,0|1,1,0]=4 2269 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_200025704644_100000162208 [1,1,0,0,0,0|1,1,0]=4 2270 B11R1.14 C=Cc1cc(c(c(c1)Br)O)C 271570a_100011290941_100010982682 [1,1,0,0,0,0|2,0,0]=4 2271 B11R1.14 C=Cc1cc(c(c(c1)C)O)C 271570a_100011290941_100000187306 [1,1,0,0,0,0|2,0,0]=4 2272 B11R1.14 C=Cc1cc(c(c(c1)Cl)O)C 271570a_100011290941_200015900153 [1,1,0,0,0,0|2,0,0]=4 2273 B11R1.14 C=Cc1cc(c(c(c1)Cl)O)Cl 271570a_100011290941_100012339652 [1,1,0,0,0,0|2,0,0]=4 2274 B11R1.14 C=Cc1cc(c(c(c1)F)F)O 271570a_100011290941_100000709865 [1,1,0,0,0,0|2,0,0]=4 2275 B11R1.14 C=Cc1cc(c(c(c1)F)N)O 271570a_100011290941_100015475841 [1,1,0,0,0,0|2,0,0]=4 2276 B11R1.14 C=Cc1cc(c(c(c1)F)O)F 271570a_100011290941_100011216917 [1,1,0,0,0,0|2,0,0]=4 2277 B11R1.14 C=Cc1cc(c(c(c1)F)O)N 271570a_100011290941_100011217383 [1,1,0,0,0,0|2,0,0]=4 2278 B11R1.14 C=Cc1cc(c(c(c1)N)O)C 271570a_100011290941_100011825904 [1,1,0,0,0,0|2,0,0]=4 2279 B11R1.14 C=Cc1cc(c(c(c1)O)N)C 271570a_100011290941_100010371313 [1,1,0,0,0,0|2,0,0]=4 2280 B11R1.14 COc1cc(c(c(c1)O)O)N 271570a_203496583355_200010008348 [1,1,0,0,0,0|2,0,0]=4 2281 B11R1.14 CSc1cc(c(c(c1)F)O)O 62a_200000210301_100010114375 [1,1,0,0,0,0|2,0,0]=4 2282 B11R1.14 CSc1cc(c(c(c1)O)O)O 62a_200000210301_100010658518 [1,1,0,0,0,0|2,0,0]=4 2283 B11R1.14 Cc1c(cc(cc1F)C=O)O 271570a_203496583355_100010132949 [1,1,0,0,0,0|1,0,0]=3 2284 B11R1.14 Cc1cc(cc(c1O)C)C=O 271570a_203496583355_100000102522 [1,1,0,0,0,0|1,0,0]=3 2285 B11R1.14 Cc1cc(cc(c1O)C)CO 271570a_203496583355_100012339607 [1,1,0,0,0,0|1,0,1]=4 2286 B11R1.14 N#Cc1cc(c(c(c1)O)O)O 271570a_203496583355_100010672013 [1,1,0,0,0,0|1,0,1]=4 2287 B11R1.14 O=Cc1cc(c(c(c1)Br)F)O 271570a_203496583355_100010270029 [1,1,0,0,0,0|1,0,0]=3 2288 B11R1.14 O=Cc1cc(c(c(c1)F)F)O 271570a_203496583355_200010341283 [1,1,0,0,0,0|1,0,0]=3 2289 B11R1.14 O=Cc1cc(c(c(c1)F)O)F 271570a_203496583355_100000104493 [1,1,0,0,0,0|1,0,0]=3 2290 B11R1.14 O=Cc1cc(c(c(c1)F)O)O 271570a_203496583355_100010295671 [1,1,0,0,0,0|0,0,0]=2 2291 B11R1.14 OCc1cc(c(c(c1)F)F)O 271570a_203496583355_100015464361 [1,1,0,0,0,0|1,0,1]=4 2292 B11R1.14 [13CH3]Sc1cc(c(c(c1)F)O)O 62a_200025704644_100010114375 [1,1,0,0,0,0|2,0,0]=4 2293 B11R1.14 [13CH3]Sc1cc(c(c(c1)O)O)O 62a_200025704644_100010658518 [1,1,0,0,0,0|2,0,0]=4 2294 B11R1.192 C=C=Cc1ccc(c(c1)Br)O 271570a_100015277604_100012361655 [1,1,0,0,0,0|2,0,0]=4 2295 B11R1.192 C=C=Cc1ccc(c(c1)C)O 271570a_100015277604_100000186361 [1,1,0,0,0,0|2,0,0]=4 2296 B11R1.192 C=C=Cc1ccc(c(c1)Cl)O 271570a_100015277604_100012360047 [1,1,0,0,0,0|2,0,0]=4 2297 B11R1.192 C=C=Cc1ccc(c(c1)F)O 271570a_100015277604_100000185481 [1,1,0,0,0,0|2,0,0]=4 2298 B11R1.192 C=C=Cc1ccc(c(c1)N)O 271570a_100015277604_100000752626 [1,1,0,0,0,0|2,0,0]=4 2299 B11R1.192 C=C=Cc1ccc(c(c1)O)Br 271570a_100015277604_100012356990 [1,1,0,0,0,0|2,0,0]=4 2300 B11R1.192 C=C=Cc1ccc(c(c1)O)C 271570a_100015277604_100000766334 [1,1,0,0,0,0|2,0,0]=4 2301 B11R1.192 C=C=Cc1ccc(c(c1)O)Cl 271570a_100015277604_100011356854 [1,1,0,0,0,0|2,0,0]=4 2302 B11R1.192 C=C=Cc1ccc(c(c1)O)F 271570a_100015277604_100000686035 [1,1,0,0,0,0|2,0,0]=4 2303 B11R1.192 C=C=Cc1ccc(c(c1)O)N 271570a_100015277604_100000739049 [1,1,0,0,0,0|2,0,0]=4 2304 B11R1.192 C=C=Cc1ccc(c(c1)O)O 271570a_100015277604_100009813601 [1,1,0,0,0,0|1,0,0]=3 2305 B11R1.192 CC=Cc1ccc(c(c1)Br)O 271570a_100016259895_100012361655 [1,1,0,0,0,0|2,0,0]=4 2306 B11R1.192 CC=Cc1ccc(c(c1)C)O 271570a_100016259895_100000186361 [1,1,0,0,0,0|2,0,0]=4 2307 B11R1.192 CC=Cc1ccc(c(c1)Cl)O 271570a_100016259895_100012360047 [1,1,0,0,0,0|2,0,0]=4 2308 B11R1.192 CC=Cc1ccc(c(c1)F)O 271570a_100016259895_100000185481 [1,1,0,0,0,0|2,0,0]=4 2309 B11R1.192 CC=Cc1ccc(c(c1)N)O 271570a_100016259895_100000752626 [1,1,0,0,0,0|2,0,0]=4 2310 B11R1.192 CC=Cc1ccc(c(c1)O)Br 271570a_100016259895_100012356990 [1,1,0,0,0,0|2,0,0]=4 2311 B11R1.192 CC=Cc1ccc(c(c1)O)C 271570a_100016259895_100000766334 [1,1,0,0,0,0|2,0,0]=4 2312 B11R1.192 CC=Cc1ccc(c(c1)O)Cl 271570a_100016259895_100011356854 [1,1,0,0,0,0|2,0,0]=4 2313 B11R1.192 CC=Cc1ccc(c(c1)O)F 271570a_100016259895_100000686035 [1,1,0,0,0,0|2,0,0]=4 2314 B11R1.192 CC=Cc1ccc(c(c1)O)N 271570a_100016259895_100000739049 [1,1,0,0,0,0|2,0,0]=4 2315 B11R1.192 CC=Cc1ccc(c(c1)O)O 271570a_100016259895_100009813601 [1,1,0,0,0,0|1,0,0]=3 2316 B11R1.192 CCNc1ccc(c(c1)O)O 34a_100102946323_100000210202 [1,1,0,0,0,0|1,0,1]=4 2317 B11R1.192 CCSc1ccc(c(c1)O)O 62a_100000210202_100009813601 [1,1,0,0,0,0|1,0,1]=4 2318 B11R1.192 CNCc1ccc(c(c1)O)O 34a_100000010075_200000210301 [1,1,0,0,0,0|1,0,1]=4 2319 B11R1.192 COCc1ccc(c(c1)F)O 271570a_203496583355_100010177442 [1,1,0,0,0,0|1,0,1]=4 2320 B11R1.192 COCc1ccc(c(c1)N)O 271570a_203496583355_200013033220 [1,1,0,0,0,0|1,0,1]=4 2321 B11R1.192 COCc1ccc(c(c1)O)C 271570a_203496583355_200015395492 [1,1,0,0,0,0|1,0,1]=4 2322 B11R1.192 COCc1ccc(c(c1)O)F 271570a_203496583355_200011493689 [1,1,0,0,0,0|1,0,1]=4 2323 B11R1.192 OCCc1ccc(c(c1)F)O 271570a_203496583355_100012921202 [1,1,0,0,0,0|1,0,1]=4 2324 B11R1.192 Oc1ccc(cc1O)NCF 34a_100102946323_100015361967 [1,1,0,0,0,0|1,0,1]=4 2325 B11R1.192 Oc1ccc(cc1O)SCF 62a_100015361967_100009813601 [1,1,0,0,0,0|1,0,1]=4 2326 B11R1.192 [13CH3]NCc1ccc(c(c1)O)O 34a_100000010075_200025704644 [1,1,0,0,0,0|1,0,1]=4 2327 B11R1.277 C=Cc1cc(c(cc1Br)Cl)O 271570a_100011290941_100021297947 [1,1,0,0,0,0|2,0,0]=4 2328 B11R1.277 C=Cc1cc(c(cc1C)F)O 271570a_100011290941_100010068922 [1,1,0,0,0,0|2,0,0]=4 2329 B11R1.277 C=Cc1cc(c(cc1C)N)O 271570a_100011290941_200010107346 [1,1,0,0,0,0|2,0,0]=4 2330 B11R1.277 C=Cc1cc(c(cc1C)O)C 271570a_100011290941_100000698207 [1,1,0,0,0,0|2,0,0]=4 2331 B11R1.277 C=Cc1cc(c(cc1C)O)F 271570a_100011290941_100012355673 [1,1,0,0,0,0|2,0,0]=4 2332 B11R1.277 C=Cc1cc(c(cc1C)O)N 271570a_100011290941_200010235796 [1,1,0,0,0,0|2,0,0]=4 2333 B11R1.277 C=Cc1cc(c(cc1Cl)O)N 271570a_100011290941_100011011175 [1,1,0,0,0,0|2,0,0]=4 2334 B11R1.277 C=Cc1cc(c(cc1F)C)O 271570a_100011290941_100014242602 [1,1,0,0,0,0|2,0,0]=4 2335 B11R1.277 C=Cc1cc(c(cc1F)Cl)O 271570a_100011290941_100010735246 [1,1,0,0,0,0|2,0,0]=4 2336 B11R1.277 C=Cc1cc(c(cc1F)F)O 271570a_100011290941_100012457948 [1,1,0,0,0,0|2,0,0]=4 2337 B11R1.277 C=Cc1cc(c(cc1F)N)O 271570a_100011290941_100013038943 [1,1,0,0,0,0|2,0,0]=4 2338 B11R1.277 C=Cc1cc(c(cc1F)O)F 271570a_100011290941_100011830439 [1,1,0,0,0,0|2,0,0]=4 2339 B11R1.277 C=Cc1cc(c(cc1F)O)N 271570a_100011290941_100012359894 [1,1,0,0,0,0|2,0,0]=4 2340 B11R1.277 Cc1cc(c(cc1C)C=O)O 271570a_203496583355_100010184403 [1,1,0,0,0,0|2,0,0]=4 2341 B11R1.277 Cc1cc(c(cc1C=O)F)O 271570a_203496583355_100010186292 [1,1,0,0,0,0|1,0,0]=3 2342 B11R1.277 Cc1cc(c(cc1F)C=O)O 271570a_203496583355_100010186290 [1,1,0,0,0,0|2,0,0]=4 2343 B11R1.277 Cc1cc(c(cc1F)O)C=O 271570a_203496583355_100009814814 [1,1,0,0,0,0|2,0,0]=4 2344 B11R1.277 Cc1cc(c(cc1O)C)C=O 271570a_203496583355_100012024176 [1,1,0,0,0,0|1,0,0]=3 2345 B11R1.277 Cc1cc(c(cc1O)C=O)F 271570a_203496583355_100010138641 [1,1,0,0,0,0|1,0,0]=3 2346 B11R1.277 Cc1cc(c(cc1O)C=O)O 271570a_203496583355_100010186689 [1,1,0,0,0,0|1,0,0]=3 2347 B11R1.277 Cc1cc(c(cc1O)F)C=O 271570a_203496583355_100010186291 [1,1,0,0,0,0|1,0,0]=3 2348 B11R1.277 Cc1cc(c(cc1O)O)C=O 271570a_203496583355_200010762526 [1,1,0,0,0,0|1,0,0]=3 2349 B11R1.277 N#Cc1cc(c(cc1F)O)O 271570a_203496583355_100011015635 [1,1,0,0,0,0|1,0,1]=4 2350 B11R1.277 Nc1cc(c(cc1C=O)O)F 271570a_203496583355_200010571964 [1,1,0,0,0,0|1,0,0]=3 2351 B11R1.277 O=Cc1cc(c(cc1F)F)O 271570a_203496583355_100009814802 [1,1,0,0,0,0|1,0,0]=3 2352 B11R1.277 O=Cc1cc(c(cc1F)O)F 271570a_203496583355_100011998483 [1,1,0,0,0,0|1,0,0]=3 2353 B11R1.277 O=Cc1cc(c(cc1O)F)F 271570a_203496583355_100012344232 [1,1,0,0,0,0|2,0,0]=4 2354 B11R1.277 O=Cc1cc(c(cc1O)F)O 271570a_203496583355_100010175118 [1,1,0,0,0,0|1,0,0]=3 2355 B11R1.277 O=Cc1cc(c(cc1O)O)F 271570a_203496583355_200010762562 [1,1,0,0,0,0|1,0,0]=3 2356 B11R1.277 O=Cc1cc(c(cc1O)O)O 271570a_203496583355_100010888506 [1,1,0,0,0,0|0,0,0]=2 2357 B11R1.277 O=Cc1cc(c(cc1O)O)O 271570a_203496583355_200010132312 [1,1,0,0,0,0|0,0,0]=2 2358 B11R1.277 OCc1cc(c(cc1F)F)O 271570a_203496583355_100016029355 [1,1,0,0,0,0|1,0,1]=4 2359 B11R1.277 OCc1cc(c(cc1F)O)F 271570a_203496583355_100012024398 [1,1,0,0,0,0|1,0,1]=4 2360 B11R1.278 C=Cc1ccc(c(c1C)C)O 271570a_100011290941_100012353674 [1,1,0,0,0,0|2,0,0]=4 2361 B11R1.278 C=Cc1ccc(c(c1C)N)O 271570a_100011290941_100013039247 [1,1,0,0,0,0|2,0,0]=4 2362 B11R1.278 C=Cc1ccc(c(c1F)C)O 271570a_100011290941_100010390934 [1,1,0,0,0,0|2,0,0]=4 2363 B11R1.278 C=Cc1ccc(c(c1F)F)O 271570a_100011290941_100011830415 [1,1,0,0,0,0|2,0,0]=4 2364 B11R1.278 C=Cc1ccc(c(c1F)O)Br 271570a_100011290941_200010782288 [1,1,0,0,0,0|2,0,0]=4 2365 B11R1.278 C=Cc1ccc(c(c1F)O)F 271570a_100011290941_100010167067 [1,1,0,0,0,0|2,0,0]=4 2366 B11R1.278 C=Cc1ccc(c(c1N)O)Br 271570a_100011290941_100020748643 [1,1,0,0,0,0|2,0,0]=4 2367 B11R1.278 Cc1c(ccc(c1F)C=O)O 271570a_203496583355_100015546853 [1,1,0,0,0,0|1,0,0]=3 2368 B11R1.278 Cc1c(ccc(c1O)C=O)F 271570a_203496583355_100009872231 [1,1,0,0,0,0|2,0,0]=4 2369 B11R1.278 O=Cc1ccc(c(c1F)F)O 271570a_203496583355_100010209662 [1,1,0,0,0,0|1,0,0]=3 2370 B11R1.278 O=Cc1ccc(c(c1F)O)F 271570a_203496583355_100000050342 [1,1,0,0,0,0|1,0,0]=3 2371 B11R1.278 O=Cc1ccc(c(c1O)F)F 271570a_203496583355_100015087033 [1,1,0,0,0,0|2,0,0]=4 2372 B11R1.278 O=Cc1ccc(c(c1O)F)O 271570a_203496583355_100010762540 [1,1,0,0,0,0|1,0,0]=3 2373 B11R1.278 OCc1ccc(c(c1F)F)O 271570a_203496583355_100010712623 [1,1,0,0,0,0|1,0,1]=4 2374 B11R1.279 C=Cc1cc(c(cn1)OC)O 271570a_100011290941_100010264082 [1,1,0,0,0,0|2,0,0]=4 2375 B11R1.279 C=Cc1ccc(c(c1)Br)CO 271570a_100011290941_100010240206 [1,1,0,0,0,0|2,0,0]=4 2376 B11R1.279 C=Cc1ccc(c(c1)Br)OC 271570a_100011290941_100011249507 [1,1,0,0,0,0|2,0,0]=4 2377 B11R1.279 C=Cc1ccc(c(c1)C)CO 271570a_100011290941_100000748258 [1,1,0,0,0,0|2,0,0]=4 2378 B11R1.279 C=Cc1ccc(c(c1)C)OC 271570a_100011290941_100011219705 [1,1,0,0,0,0|2,0,0]=4 2379 B11R1.279 C=Cc1ccc(c(c1)Cl)OC 271570a_100011290941_100012355395 [1,1,0,0,0,0|2,0,0]=4 2380 B11R1.279 C=Cc1ccc(c(c1)F)CO 271570a_100011290941_100011191541 [1,1,0,0,0,0|2,0,0]=4 2381 B11R1.279 C=Cc1ccc(c(c1)F)OC 271570a_100011290941_100000185480 [1,1,0,0,0,0|2,0,0]=4 2382 B11R1.279 C=Cc1ccc(c(c1)N)CO 271570a_100011290941_100000718831 [1,1,0,0,0,0|2,0,0]=4 2383 B11R1.279 C=Cc1ccc(c(c1)N)OC 271570a_100011290941_100000743470 [1,1,0,0,0,0|2,0,0]=4 2384 B11R1.279 C=Cc1ccc(c(c1)O)C#N 271570a_100011290941_100011934713 [1,1,0,0,0,0|2,0,0]=4 2385 B11R1.279 C=Cc1ccc(c(c1)O)C=O 271570a_100011290941_100011277552 [1,1,0,0,0,0|1,0,1]=4 2386 B11R1.279 C=Cc1ccc(c(c1)O)CO 271570a_100011290941_100000071718 [1,1,0,0,0,0|1,0,0]=3 2387 B11R1.279 C=Cc1ccc(c(c1)O)OC 271570a_100011290941_100009816560 [1,1,0,0,0,0|1,0,0]=3 2388 B11R1.279 C=Cc1ccc(cc1C)C=O 271570a_100011290941_100000765772 [1,1,0,0,0,0|2,0,0]=4 2389 B11R1.279 C=Cc1ccc(cc1F)C=O 271570a_100011290941_100000686674 [1,1,0,0,0,0|2,0,0]=4 2390 B11R1.279 C=Cc1ccc(cc1O)C=O 271570a_100011290941_100000041418 [1,1,0,0,0,0|1,0,0]=3 2391 B11R1.279 C=Cc1ccc(cc1O)CO 271570a_100011290941_100000049605 [1,1,0,0,0,0|1,0,1]=4 2392 B11R1.279 C=Cc1cnc(c(c1)O)OC 271570a_100011290941_100010135713 [1,1,0,0,0,0|2,0,0]=4 2393 B11R1.279 CCc1ccc(c(c1)O)OC 271570a_203496583355_100010062400 [1,1,0,0,0,0|1,0,1]=4 2394 B11R1.279 CNc1ccc(c(c1)O)OC 271570a_203496583355_114948341033 [1,1,0,0,0,0|2,0,0]=4 2395 B11R1.279 CNc1ccc(c(c1)O)OC 34a_100000211920_200000210301 [1,1,0,0,0,0|2,0,0]=4 2396 B11R1.279 CNc1ccc(cc1O)C=O 271570a_203496583355_200010290468 [1,1,0,0,0,0|1,0,0]=3 2397 B11R1.279 COc1ccc(c(c1)O)CO 271570a_203496583355_100011982768 [1,1,0,0,0,0|2,0,0]=4 2398 B11R1.279 COc1ccc(c(c1)O)OC 271570a_203496583355_100011215452 [1,1,0,0,0,0|2,0,0]=4 2399 B11R1.279 COc1ccc(cc1Br)CO 34a_100011191544_200000210301 [1,1,0,0,0,0|1,0,1]=4 2400 B11R1.279 COc1ccc(cc1Br)CO 7a_100011191544_200000210301 [1,1,0,0,0,0|1,0,1]=4 2401 B11R1.279 COc1ccc(cc1C)CO 34a_100000075815_200000210301 [1,1,0,0,0,0|1,0,1]=4 2402 B11R1.279 COc1ccc(cc1C)CO 7a_100000075815_200000210301 [1,1,0,0,0,0|1,0,1]=4 2403 B11R1.279 COc1ccc(cc1N)CO 34a_100000123545_200000210301 [1,1,0,0,0,0|1,0,1]=4 2404 B11R1.279 COc1ccc(cc1O)C#N 271570a_203496583355_100000188253 [1,1,0,0,0,0|1,0,1]=4 2405 B11R1.279 COc1ccc(cc1O)C=O 271570a_203496583355_100000173361 [1,1,0,0,0,0|0,0,0]=2 2406 B11R1.279 COc1ccc(cc1O)CN 271570a_203496583355_100159240714 [1,1,0,0,0,0|1,0,1]=4 2407 B11R1.279 COc1ccc(cc1O)CO 271570a_203496583355_100000246451 [1,1,0,0,0,0|0,0,1]=3 2408 B11R1.279 COc1ccc(cc1O)N[13CH3] 34a_100000211920_200025704644 [1,1,0,0,0,0|2,0,0]=4 2409 B11R1.279 COc1ccc(cc1O)SC 62a_200000210301_100009816560 [1,1,0,0,0,0|2,0,0]=4 2410 B11R1.279 COc1ccc(cc1O)S[13CH3] 62a_200025704644_100009816560 [1,1,0,0,0,0|2,0,0]=4 2411 B11R1.279 COc1ccc(nc1O)C=O 271570a_203496583355_100010174741 [1,1,0,0,0,0|1,0,0]=3 2412 B11R1.279 COc1ccc(nc1O)CO 271570a_203496583355_100009842956 [1,1,0,0,0,0|1,0,1]=4 2413 B11R1.279 COc1cnc(cc1O)C=O 271570a_203496583355_100010893078 [1,1,0,0,0,0|1,0,0]=3 2414 B11R1.279 COc1ncc(cc1O)C=O 271570a_203496583355_200010064893 [1,1,0,0,0,0|1,0,0]=3 2415 B11R1.279 CSc1ccc(c(c1)O)CO 62a_100000071718_200000210301 [1,1,0,0,0,0|2,0,0]=4 2416 B11R1.279 CSc1ccc(c(c1)O)CO 62a_200000210301_100000071718 [1,1,0,0,0,0|2,0,0]=4 2417 B11R1.279 CSc1ccc(cc1C)C=O 62a_100000765772_200000210301 [1,1,0,0,0,0|1,1,0]=4 2418 B11R1.279 CSc1ccc(cc1C)C=O 62a_200000210301_100000765772 [1,1,0,0,0,0|1,1,0]=4 2419 B11R1.279 CSc1ccc(cc1F)C=O 62a_100000686674_200000210301 [1,1,0,0,0,0|1,1,0]=4 2420 B11R1.279 CSc1ccc(cc1F)C=O 62a_200000210301_100000686674 [1,1,0,0,0,0|1,1,0]=4 2421 B11R1.279 CSc1ccc(cc1O)C=O 62a_100000041418_200000210301 [1,1,0,0,0,0|0,1,0]=3 2422 B11R1.279 CSc1ccc(cc1O)C=O 62a_200000210301_100000041418 [1,1,0,0,0,0|0,1,0]=3 2423 B11R1.279 CSc1ccc(cc1O)CO 62a_100000049605_200000210301 [1,1,0,0,0,0|0,1,1]=4 2424 B11R1.279 CSc1ccc(cc1O)CO 62a_200000210301_100000049605 [1,1,0,0,0,0|0,1,1]=4 2425 B11R1.279 Cc1cc(ccc1O[13CH3])CO 34a_100000075815_200025704644 [1,1,0,0,0,0|1,0,1]=4 2426 B11R1.279 Cc1cc(ccc1O[13CH3])CO 7a_100000075815_200025704644 [1,1,0,0,0,0|1,0,1]=4 2427 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_100000765772_200025704644 [1,1,0,0,0,0|1,1,0]=4 2428 B11R1.279 Cc1cc(ccc1S[13CH3])C=O 62a_200025704644_100000765772 [1,1,0,0,0,0|1,1,0]=4 2429 B11R1.279 N#Cc1ccc(c(c1)O)CO 271570a_203496583355_100010214422 [1,1,0,0,0,0|1,0,1]=4 2430 B11R1.279 N#Cc1ccc(cc1O)C=O 271570a_203496583355_100012355660 [1,1,0,0,0,0|1,0,0]=3 2431 B11R1.279 N#Cc1ccc(cc1O)CO 271570a_203496583355_100009876504 [1,1,0,0,0,0|1,0,1]=4 2432 B11R1.279 O=Cc1ccc(c(c1)O)C=O 271570a_203496583355_100015597013 [1,1,0,0,0,0|0,0,1]=3 2433 B11R1.279 OCc1ccc(c(c1)O)CO 271570a_203496583355_100010881536 [1,1,0,0,0,0|0,0,1]=3 2434 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 34a_100011191544_200025704644 [1,1,0,0,0,0|1,0,1]=4 2435 B11R1.279 [13CH3]Oc1ccc(cc1Br)CO 7a_100011191544_200025704644 [1,1,0,0,0,0|1,0,1]=4 2436 B11R1.279 [13CH3]Oc1ccc(cc1N)CO 34a_100000123545_200025704644 [1,1,0,0,0,0|1,0,1]=4 2437 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_100000071718_200025704644 [1,1,0,0,0,0|2,0,0]=4 2438 B11R1.279 [13CH3]Sc1ccc(c(c1)O)CO 62a_200025704644_100000071718 [1,1,0,0,0,0|2,0,0]=4 2439 B11R1.279 [13CH3]Sc1ccc(cc1F)C=O 62a_100000686674_200025704644 [1,1,0,0,0,0|1,1,0]=4 2440 B11R1.279 [13CH3]Sc1ccc(cc1F)C=O 62a_200025704644_100000686674 [1,1,0,0,0,0|1,1,0]=4 2441 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_100000041418_200025704644 [1,1,0,0,0,0|0,1,0]=3 2442 B11R1.279 [13CH3]Sc1ccc(cc1O)C=O 62a_200025704644_100000041418 [1,1,0,0,0,0|0,1,0]=3 2443 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_100000049605_200025704644 [1,1,0,0,0,0|0,1,1]=4 2444 B11R1.279 [13CH3]Sc1ccc(cc1O)CO 62a_200025704644_100000049605 [1,1,0,0,0,0|0,1,1]=4 2445 B11R1.280 C=Cc1cc(ccc1Br)C=O 271570a_100011290941_100010146563 [1,1,0,0,0,0|2,0,0]=4 2446 B11R1.280 C=Cc1cc(ccc1C)C=O 271570a_100011290941_100000695567 [1,1,0,0,0,0|2,0,0]=4 2447 B11R1.280 C=Cc1cc(ccc1Cl)C=O 271570a_100011290941_100010209939 [1,1,0,0,0,0|2,0,0]=4 2448 B11R1.280 C=Cc1cc(ccc1F)C=O 271570a_100011290941_100000211747 [1,1,0,0,0,0|2,0,0]=4 2449 B11R1.280 C=Cc1cc(ccc1O)C=O 271570a_100011290941_100000184552 [1,1,0,0,0,0|1,0,0]=3 2450 B11R1.280 C=Cc1cc(ccc1O)CO 271570a_100011290941_100011191544 [1,1,0,0,0,0|1,0,1]=4 2451 B11R1.280 C=Cc1cc(cnc1O)C=O 271570a_100011290941_100010064886 [1,1,0,0,0,0|2,0,0]=4 2452 B11R1.280 C=Cc1ccc(c(c1)C#N)O 271570a_100011290941_100000687585 [1,1,0,0,0,0|2,0,0]=4 2453 B11R1.280 C=Cc1ccc(c(c1)C=O)O 271570a_100011290941_100000186750 [1,1,0,0,0,0|1,0,1]=4 2454 B11R1.280 C=Cc1ccc(c(c1)CC)O 271570a_100011290941_100012338938 [1,1,0,0,0,0|2,0,0]=4 2455 B11R1.280 C=Cc1ccc(c(c1)CN)O 271570a_100011290941_100000730032 [1,1,0,0,0,0|2,0,0]=4 2456 B11R1.280 C=Cc1ccc(c(c1)CO)Br 271570a_100011290941_100012359683 [1,1,0,0,0,0|2,0,0]=4 2457 B11R1.280 C=Cc1ccc(c(c1)CO)C 271570a_100011290941_100000700630 [1,1,0,0,0,0|2,0,0]=4 2458 B11R1.280 C=Cc1ccc(c(c1)CO)Cl 271570a_100011290941_100010128486 [1,1,0,0,0,0|2,0,0]=4 2459 B11R1.280 C=Cc1ccc(c(c1)CO)F 271570a_100011290941_100000049604 [1,1,0,0,0,0|2,0,0]=4 2460 B11R1.280 C=Cc1ccc(c(c1)CO)N 271570a_100011290941_100012353972 [1,1,0,0,0,0|2,0,0]=4 2461 B11R1.280 C=Cc1ccc(c(c1)CO)O 271570a_100011290941_100000184703 [1,1,0,0,0,0|1,0,0]=3 2462 B11R1.280 C=Cc1ccc(c(c1)OC)Br 271570a_100011290941_100012353699 [1,1,0,0,0,0|2,0,0]=4 2463 B11R1.280 C=Cc1ccc(c(c1)OC)C 271570a_100011290941_100011830276 [1,1,0,0,0,0|2,0,0]=4 2464 B11R1.280 C=Cc1ccc(c(c1)OC)Cl 271570a_100011290941_100011356853 [1,1,0,0,0,0|2,0,0]=4 2465 B11R1.280 C=Cc1ccc(c(c1)OC)F 271570a_100011290941_100011934186 [1,1,0,0,0,0|2,0,0]=4 2466 B11R1.280 C=Cc1ccc(c(c1)OC)N 271570a_100011290941_100011279103 [1,1,0,0,0,0|2,0,0]=4 2467 B11R1.280 C=Cc1ccc(c(c1)OC)O 271570a_100011290941_100000694246 [1,1,0,0,0,0|1,0,0]=3 2468 B11R1.280 C=Cc1ccc(c(n1)OC)O 271570a_100011290941_100010893133 [1,1,0,0,0,0|2,0,0]=4 2469 B11R1.280 C=Cc1cnc(c(c1)CO)O 271570a_100011290941_100010065268 [1,1,0,0,0,0|2,0,0]=4 2470 B11R1.280 CCc1ccc(c(c1)OC)O 271570a_203496583355_200010710389 [1,1,0,0,0,0|1,0,1]=4 2471 B11R1.280 CNc1cc(ccc1O)CO 34a_100000123545_200000210301 [1,1,0,0,0,0|1,0,1]=4 2472 B11R1.280 CNc1ccc(c(c1)OC)O 34a_100000726020_200000210301 [1,1,0,0,0,0|2,0,0]=4 2473 B11R1.280 COc1cc(ccc1Br)CO 34a_100010191536_200000210301 [1,1,0,0,0,0|1,0,1]=4 2474 B11R1.280 COc1cc(ccc1Br)CO 7a_100010191536_200000210301 [1,1,0,0,0,0|1,0,1]=4 2475 B11R1.280 COc1cc(ccc1Cl)CO 34a_100009876509_200000210301 [1,1,0,0,0,0|1,0,1]=4 2476 B11R1.280 COc1cc(ccc1Cl)CO 7a_100009876509_200000210301 [1,1,0,0,0,0|1,0,1]=4 2477 B11R1.280 COc1cc(ccc1F)CO 34a_100009842347_200000210301 [1,1,0,0,0,0|1,0,1]=4 2478 B11R1.280 COc1cc(ccc1F)CO 7a_100009842347_200000210301 [1,1,0,0,0,0|1,0,1]=4 2479 B11R1.280 COc1cc(ccc1I)CO 34a_100000049605_200000210301 [1,1,0,0,0,0|1,0,1]=4 2480 B11R1.280 COc1cc(ccc1I)CO 7a_100000049605_200000210301 [1,1,0,0,0,0|1,0,1]=4 2481 B11R1.280 COc1cc(ccc1O)C#N 271570a_203496583355_100012356288 [1,1,0,0,0,0|1,0,1]=4 2482 B11R1.280 COc1cc(ccc1O)C=O 271570a_203496583355_100010244714 [1,1,0,0,0,0|0,0,0]=2 2483 B11R1.280 COc1cc(ccc1O)CO 271570a_203496583355_100010234685 [1,1,0,0,0,0|0,0,1]=3 2484 B11R1.280 COc1cc(ccc1O)N[13CH3] 34a_100000726020_200025704644 [1,1,0,0,0,0|2,0,0]=4 2485 B11R1.280 COc1cc(ccc1O)SC 62a_200000210301_100000694246 [1,1,0,0,0,0|2,0,0]=4 2486 B11R1.280 COc1cc(ccc1O)S[13CH3] 62a_200025704644_100000694246 [1,1,0,0,0,0|2,0,0]=4 2487 B11R1.280 COc1cc(ncc1O)CO 271570a_203496583355_100010999569 [1,1,0,0,0,0|1,0,1]=4 2488 B11R1.280 COc1ccc(c(c1)CO)O 271570a_203496583355_200011273942 [1,1,0,0,0,0|2,0,0]=4 2489 B11R1.280 COc1ccc(c(c1)OC)O 271570a_203496583355_100000750026 [1,1,0,0,0,0|2,0,0]=4 2490 B11R1.280 CSc1cc(ccc1Br)C=O 62a_100010146563_200000210301 [1,1,0,0,0,0|1,1,0]=4 2491 B11R1.280 CSc1cc(ccc1Br)C=O 62a_200000210301_100010146563 [1,1,0,0,0,0|1,1,0]=4 2492 B11R1.280 CSc1cc(ccc1C)C=O 62a_100000695567_200000210301 [1,1,0,0,0,0|1,1,0]=4 2493 B11R1.280 CSc1cc(ccc1C)C=O 62a_200000210301_100000695567 [1,1,0,0,0,0|1,1,0]=4 2494 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_100010209939_200000210301 [1,1,0,0,0,0|1,1,0]=4 2495 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_200000210301_100010209939 [1,1,0,0,0,0|1,1,0]=4 2496 B11R1.280 CSc1cc(ccc1F)C=O 62a_100000211747_200000210301 [1,1,0,0,0,0|1,1,0]=4 2497 B11R1.280 CSc1cc(ccc1F)C=O 62a_200000210301_100000211747 [1,1,0,0,0,0|1,1,0]=4 2498 B11R1.280 CSc1cc(ccc1O)C=O 62a_100000184552_200000210301 [1,1,0,0,0,0|0,1,0]=3 2499 B11R1.280 CSc1cc(ccc1O)C=O 62a_200000210301_100000184552 [1,1,0,0,0,0|0,1,0]=3 2500 B11R1.280 CSc1cc(ccc1O)CO 62a_100011191544_200000210301 [1,1,0,0,0,0|0,1,1]=4 2501 B11R1.280 CSc1cc(ccc1O)CO 62a_200000210301_100011191544 [1,1,0,0,0,0|0,1,1]=4 2502 B11R1.280 CSc1cc(cnc1O)C=O 62a_100010064886_200000210301 [1,1,0,0,0,0|1,1,0]=4 2503 B11R1.280 CSc1cc(cnc1O)C=O 62a_200000210301_100010064886 [1,1,0,0,0,0|1,1,0]=4 2504 B11R1.280 CSc1ccc(c(c1)CO)O 62a_100000184703_200000210301 [1,1,0,0,0,0|2,0,0]=4 2505 B11R1.280 CSc1ccc(c(c1)CO)O 62a_200000210301_100000184703 [1,1,0,0,0,0|2,0,0]=4 2506 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_100000695567_200025704644 [1,1,0,0,0,0|1,1,0]=4 2507 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000695567 [1,1,0,0,0,0|1,1,0]=4 2508 B11R1.280 N#Cc1cc(ccc1O)C=O 271570a_203496583355_100010128726 [1,1,0,0,0,0|1,0,0]=3 2509 B11R1.280 N#Cc1cc(ccc1O)CO 271570a_203496583355_100010145894 [1,1,0,0,0,0|1,0,1]=4 2510 B11R1.280 N#Cc1ccc(c(c1)CO)O 271570a_203496583355_100010246249 [1,1,0,0,0,0|1,0,1]=4 2511 B11R1.280 O=Cc1ccc(c(c1)CO)O 271570a_203496583355_100015639582 [1,1,0,0,0,0|0,0,0]=2 2512 B11R1.280 [13CH3]Nc1cc(ccc1O)CO 34a_100000123545_200025704644 [1,1,0,0,0,0|1,0,1]=4 2513 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 34a_100010191536_200025704644 [1,1,0,0,0,0|1,0,1]=4 2514 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 7a_100010191536_200025704644 [1,1,0,0,0,0|1,0,1]=4 2515 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 34a_100009876509_200025704644 [1,1,0,0,0,0|1,0,1]=4 2516 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 7a_100009876509_200025704644 [1,1,0,0,0,0|1,0,1]=4 2517 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 34a_100009842347_200025704644 [1,1,0,0,0,0|1,0,1]=4 2518 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 7a_100009842347_200025704644 [1,1,0,0,0,0|1,0,1]=4 2519 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 34a_100000049605_200025704644 [1,1,0,0,0,0|1,0,1]=4 2520 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 7a_100000049605_200025704644 [1,1,0,0,0,0|1,0,1]=4 2521 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_100010146563_200025704644 [1,1,0,0,0,0|1,1,0]=4 2522 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_200025704644_100010146563 [1,1,0,0,0,0|1,1,0]=4 2523 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_100010209939_200025704644 [1,1,0,0,0,0|1,1,0]=4 2524 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_200025704644_100010209939 [1,1,0,0,0,0|1,1,0]=4 2525 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_100000211747_200025704644 [1,1,0,0,0,0|1,1,0]=4 2526 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_200025704644_100000211747 [1,1,0,0,0,0|1,1,0]=4 2527 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_100000184552_200025704644 [1,1,0,0,0,0|0,1,0]=3 2528 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_200025704644_100000184552 [1,1,0,0,0,0|0,1,0]=3 2529 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_100011191544_200025704644 [1,1,0,0,0,0|0,1,1]=4 2530 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_200025704644_100011191544 [1,1,0,0,0,0|0,1,1]=4 2531 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_100010064886_200025704644 [1,1,0,0,0,0|1,1,0]=4 2532 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_200025704644_100010064886 [1,1,0,0,0,0|1,1,0]=4 2533 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_100000184703_200025704644 [1,1,0,0,0,0|2,0,0]=4 2534 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_200025704644_100000184703 [1,1,0,0,0,0|2,0,0]=4 2535 B11R1.226 COC(=O)c1cc(c(s1)O)C 271570a_203496583355_100011219469 [0,1,0,0,1,0|2,0,0]=4 2536 B11R1.226 COC(=O)c1cc(c(s1)O)N 271570a_203496583355_200010749435 [0,1,0,0,1,0|2,0,0]=4 2537 B11R1.865 COC(=O)c1ccc(n1C)O 271570a_203496583355_100010124797 [0,1,0,0,1,0|2,0,0]=4 2538 B11R1.865 COC(=O)c1scc(c1C)O 271570a_203496583355_100010184805 [0,1,0,0,1,0|2,0,0]=4 2539 B11R1.865 COC(=O)c1scc(c1N)O 271570a_203496583355_100010201200 [0,1,0,0,1,0|2,0,0]=4 2540 B11R1.865 COC(=O)c1scc(c1O)C 271570a_203496583355_100000716566 [0,1,0,0,1,0|2,0,0]=4 2541 B11R1.865 COC(=O)c1scc(c1O)O 271570a_203496583355_100009812821 [0,1,0,0,1,0|1,0,0]=3 2542 B13R1.35 CC(=Cc1ccc(c(c1)O)CO)C 271570a_100102525489_100000071718 [0,1,0,0,0,1|2,0,0]=4 2543 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 34a_100010141077_200025704644 [0,1,0,0,0,1|2,0,0]=4 2544 B13R1.35 CC(=O)Cc1ccc(c(c1)Br)O[13CH3] 7a_100010141077_200025704644 [0,1,0,0,0,1|2,0,0]=4 2545 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 34a_200000080089_200025704644 [0,1,0,0,0,1|2,0,0]=4 2546 B13R1.35 CC(=O)Cc1ccc(c(c1)C)O[13CH3] 7a_200000080089_200025704644 [0,1,0,0,0,1|2,0,0]=4 2547 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 34a_200000080078_200025704644 [0,1,0,0,0,1|2,0,0]=4 2548 B13R1.35 CC(=O)Cc1ccc(c(c1)Cl)O[13CH3] 7a_200000080078_200025704644 [0,1,0,0,0,1|2,0,0]=4 2549 B13R1.35 CC(=O)Nc1ccc(c(c1)C)CO 22a_100000102464_100000070787 [0,1,0,0,0,1|2,0,0]=4 2550 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 34a_100012186693_200025704644 [0,1,0,0,0,1|2,0,0]=4 2551 B13R1.35 CC(=O)Nc1ccc(c(c1)C)O[13CH3] 7a_100012186693_200025704644 [0,1,0,0,0,1|2,0,0]=4 2552 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)CO 22a_100000689119_100000070787 [0,1,0,0,0,1|2,0,0]=4 2553 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)O[13CH3] 34a_100011215158_200025704644 [0,1,0,0,0,1|2,0,0]=4 2554 B13R1.35 CC(=O)Nc1ccc(c(c1)Cl)O[13CH3] 7a_100011215158_200025704644 [0,1,0,0,0,1|2,0,0]=4 2555 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100000070787_200011397701 [0,1,0,0,0,1|2,0,0]=4 2556 B13R1.35 COc1ccc(cc1Br)CC(=O)C 1458a_100011202338_200000210301 [0,1,0,0,0,1|2,0,0]=4 2557 B13R1.35 COc1ccc(cc1Br)CC(=O)C 34a_100010141077_200000210301 [0,1,0,0,0,1|2,0,0]=4 2558 B13R1.35 COc1ccc(cc1Br)CC(=O)C 7a_100010141077_200000210301 [0,1,0,0,0,1|2,0,0]=4 2559 B13R1.35 COc1ccc(cc1Br)CC(=O)[13CH3] 1458a_100011202338_200025704644 [0,1,0,0,0,1|2,0,0]=4 2560 B13R1.35 COc1ccc(cc1Br)NC(=O)C 11a_100000187427_100015343762 [0,1,0,0,0,1|2,0,0]=4 2561 B13R1.35 COc1ccc(cc1Br)NC(=O)C 1626a_100000187427_100015343762 [0,1,0,0,0,1|2,0,0]=4 2562 B13R1.35 COc1ccc(cc1Br)NC(=O)C 22a_100000187427_100000070787 [0,1,0,0,0,1|2,0,0]=4 2563 B13R1.35 COc1ccc(cc1Br)NC(=O)C 527a_100000187427_100103153847 [0,1,0,0,0,1|2,0,0]=4 2564 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100000070787_200011290836 [0,1,0,0,0,1|2,0,0]=4 2565 B13R1.35 COc1ccc(cc1C)CC(=O)C 1458a_100011356478_200000210301 [0,1,0,0,0,1|2,0,0]=4 2566 B13R1.35 COc1ccc(cc1C)CC(=O)C 34a_200000080089_200000210301 [0,1,0,0,0,1|2,0,0]=4 2567 B13R1.35 COc1ccc(cc1C)CC(=O)C 7a_200000080089_200000210301 [0,1,0,0,0,1|2,0,0]=4 2568 B13R1.35 COc1ccc(cc1C)CC(=O)[13CH3] 1458a_100011356478_200025704644 [0,1,0,0,0,1|2,0,0]=4 2569 B13R1.35 COc1ccc(cc1C)NC(=O)C 11a_100000743268_100015343762 [0,1,0,0,0,1|2,0,0]=4 2570 B13R1.35 COc1ccc(cc1C)NC(=O)C 1626a_100000743268_100015343762 [0,1,0,0,0,1|2,0,0]=4 2571 B13R1.35 COc1ccc(cc1C)NC(=O)C 22a_100000743268_100000070787 [0,1,0,0,0,1|2,0,0]=4 2572 B13R1.35 COc1ccc(cc1C)NC(=O)C 34a_100012186693_200000210301 [0,1,0,0,0,1|2,0,0]=4 2573 B13R1.35 COc1ccc(cc1C)NC(=O)C 527a_100000743268_100103153847 [0,1,0,0,0,1|2,0,0]=4 2574 B13R1.35 COc1ccc(cc1C)NC(=O)C 7a_100012186693_200000210301 [0,1,0,0,0,1|2,0,0]=4 2575 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100000070787_100000693707 [0,1,0,0,0,1|2,0,0]=4 2576 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 1458a_100012026953_200000210301 [0,1,0,0,0,1|2,0,0]=4 2577 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 34a_200000080078_200000210301 [0,1,0,0,0,1|2,0,0]=4 2578 B13R1.35 COc1ccc(cc1Cl)CC(=O)C 7a_200000080078_200000210301 [0,1,0,0,0,1|2,0,0]=4 2579 B13R1.35 COc1ccc(cc1Cl)CC(=O)[13CH3] 1458a_100012026953_200025704644 [0,1,0,0,0,1|2,0,0]=4 2580 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 11a_100000211044_100015343762 [0,1,0,0,0,1|2,0,0]=4 2581 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 1626a_100000211044_100015343762 [0,1,0,0,0,1|2,0,0]=4 2582 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 22a_100000211044_100000070787 [0,1,0,0,0,1|2,0,0]=4 2583 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 34a_100011215158_200000210301 [0,1,0,0,0,1|2,0,0]=4 2584 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 527a_100000211044_100103153847 [0,1,0,0,0,1|2,0,0]=4 2585 B13R1.35 COc1ccc(cc1Cl)NC(=O)C 7a_100011215158_200000210301 [0,1,0,0,0,1|2,0,0]=4 2586 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000070787_100000189595 [0,1,0,0,0,1|2,0,0]=4 2587 B13R1.35 COc1ccc(cc1F)CC(=O)C 1458a_100000204603_200000210301 [0,1,0,0,0,1|2,0,0]=4 2588 B13R1.35 COc1ccc(cc1F)CC(=O)[13CH3] 1458a_100000204603_200025704644 [0,1,0,0,0,1|2,0,0]=4 2589 B13R1.35 COc1ccc(cc1F)NC(=O)C 11a_100000740183_100015343762 [0,1,0,0,0,1|2,0,0]=4 2590 B13R1.35 COc1ccc(cc1F)NC(=O)C 1626a_100000740183_100015343762 [0,1,0,0,0,1|2,0,0]=4 2591 B13R1.35 COc1ccc(cc1F)NC(=O)C 22a_100000740183_100000070787 [0,1,0,0,0,1|2,0,0]=4 2592 B13R1.35 COc1ccc(cc1F)NC(=O)C 527a_100000740183_100103153847 [0,1,0,0,0,1|2,0,0]=4 2593 B13R1.35 COc1ccc(cc1I)NC(=O)C 11a_100011356947_100015343762 [0,1,0,0,0,1|2,0,0]=4 2594 B13R1.35 COc1ccc(cc1I)NC(=O)C 1626a_100011356947_100015343762 [0,1,0,0,0,1|2,0,0]=4 2595 B13R1.35 COc1ccc(cc1I)NC(=O)C 22a_100011356947_100000070787 [0,1,0,0,0,1|2,0,0]=4 2596 B13R1.35 COc1ccc(cc1I)NC(=O)C 527a_100011356947_100103153847 [0,1,0,0,0,1|2,0,0]=4 2597 B13R1.35 COc1ccc(cc1O)C=C(C)C 271570a_100102525489_100009816560 [0,1,0,0,0,1|2,0,0]=4 2598 B13R1.35 COc1ccc(cc1O)CC(=O)C 1458a_100000049095_200000210301 [0,1,0,0,0,1|1,0,0]=3 2599 B13R1.35 COc1ccc(cc1O)CC(=O)C 271570a_203496583355_100011493462 [0,1,0,0,0,1|1,0,0]=3 2600 B13R1.35 COc1ccc(cc1O)CC(=O)[13CH3] 1458a_100000049095_200025704644 [0,1,0,0,0,1|1,0,0]=3 2601 B13R1.35 COc1ccc(cc1O)NC(=O)C 22a_100000211920_100000070787 [0,1,0,0,0,1|1,0,0]=3 2602 B13R1.35 COc1ccc(cc1O)NC(=O)C 527a_100000211920_100103153847 [0,1,0,0,0,1|1,0,0]=3 2603 B13R1.52 C=Cc1cc(ccc1O)CC(=O)C 271570a_100011290941_100010141077 [0,1,0,0,0,1|2,0,0]=4 2604 B13R1.52 CC(=Cc1ccc(c(c1)CO)O)C 271570a_100102525489_100000184703 [0,1,0,0,0,1|2,0,0]=4 2605 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_100010141077_200025704644 [0,1,0,0,0,1|1,1,0]=4 2606 B13R1.52 CC(=O)Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100010141077 [0,1,0,0,0,1|1,1,0]=4 2607 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)O 22a_100011249283_100000070787 [0,1,0,0,0,1|2,0,0]=4 2608 B13R1.52 CC(=O)Nc1ccc(c(c1)C#N)O 527a_100011249283_100103153847 [0,1,0,0,0,1|2,0,0]=4 2609 B13R1.52 CC(=O)Nc1ccc(c(c1)CO)Br 22a_100012347228_100000070787 [0,1,0,0,0,1|2,0,0]=4 2610 B13R1.52 CC(=O)Nc1ccc(c(c1)CO)Br 527a_100012347228_100103153847 [0,1,0,0,0,1|2,0,0]=4 2611 B13R1.52 CC(=O)Nc1ccc(c(c1)CO)Cl 22a_100011273577_100000070787 [0,1,0,0,0,1|2,0,0]=4 2612 B13R1.52 CC(=O)Nc1ccc(c(c1)CO)F 22a_100011218011_100000070787 [0,1,0,0,0,1|2,0,0]=4 2613 B13R1.52 CC(=O)Nc1ccc(c(c1)CO)F 527a_100011218011_100103153847 [0,1,0,0,0,1|2,0,0]=4 2614 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 34a_100011935283_200025704644 [0,1,0,0,0,1|2,0,0]=4 2615 B13R1.52 CC(=O)Nc1ccc(c(c1)O[13CH3])Cl 7a_100011935283_200025704644 [0,1,0,0,0,1|2,0,0]=4 2616 B13R1.52 CC(=O)Oc1ccc(c(c1)C=O)O 271570a_203496583355_100009816906 [0,1,0,0,0,1|1,0,1]=4 2617 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_100000070787_100010110085 [0,1,0,0,0,1|2,0,0]=4 2618 B13R1.52 COc1cc(ccc1Br)CC(=O)C 1458a_200010002685_200000210301 [0,1,0,0,0,1|2,0,0]=4 2619 B13R1.52 COc1cc(ccc1Br)CC(=O)[13CH3] 1458a_200010002685_200025704644 [0,1,0,0,0,1|2,0,0]=4 2620 B13R1.52 COc1cc(ccc1Br)NC(=O)C 11a_100000765947_100015343762 [0,1,0,0,0,1|2,0,0]=4 2621 B13R1.52 COc1cc(ccc1Br)NC(=O)C 1626a_100000765947_100015343762 [0,1,0,0,0,1|2,0,0]=4 2622 B13R1.52 COc1cc(ccc1Br)NC(=O)C 22a_100000765947_100000070787 [0,1,0,0,0,1|2,0,0]=4 2623 B13R1.52 COc1cc(ccc1Br)NC(=O)C 527a_100000765947_100103153847 [0,1,0,0,0,1|2,0,0]=4 2624 B13R1.52 COc1cc(ccc1C)NC(=O)C 11a_100011279678_100015343762 [0,1,0,0,0,1|2,0,0]=4 2625 B13R1.52 COc1cc(ccc1C)NC(=O)C 1626a_100011279678_100015343762 [0,1,0,0,0,1|2,0,0]=4 2626 B13R1.52 COc1cc(ccc1C)NC(=O)C 22a_100011279678_100000070787 [0,1,0,0,0,1|2,0,0]=4 2627 B13R1.52 COc1cc(ccc1C)NC(=O)C 527a_100011279678_100103153847 [0,1,0,0,0,1|2,0,0]=4 2628 B13R1.52 COc1cc(ccc1Cl)CC(=O)C 1458a_100000070787_200010214485 [0,1,0,0,0,1|2,0,0]=4 2629 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 11a_100000742311_100015343762 [0,1,0,0,0,1|2,0,0]=4 2630 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 1626a_100000742311_100015343762 [0,1,0,0,0,1|2,0,0]=4 2631 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 22a_100000742311_100000070787 [0,1,0,0,0,1|2,0,0]=4 2632 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 34a_100011935283_200000210301 [0,1,0,0,0,1|2,0,0]=4 2633 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 527a_100000742311_100103153847 [0,1,0,0,0,1|2,0,0]=4 2634 B13R1.52 COc1cc(ccc1Cl)NC(=O)C 7a_100011935283_200000210301 [0,1,0,0,0,1|2,0,0]=4 2635 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000070787_100012349856 [0,1,0,0,0,1|2,0,0]=4 2636 B13R1.52 COc1cc(ccc1F)CC(=O)C 1458a_100000117344_200000210301 [0,1,0,0,0,1|2,0,0]=4 2637 B13R1.52 COc1cc(ccc1F)CC(=O)[13CH3] 1458a_100000117344_200025704644 [0,1,0,0,0,1|2,0,0]=4 2638 B13R1.52 COc1cc(ccc1F)NC(=O)C 11a_100000701188_100015343762 [0,1,0,0,0,1|2,0,0]=4 2639 B13R1.52 COc1cc(ccc1F)NC(=O)C 1626a_100000701188_100015343762 [0,1,0,0,0,1|2,0,0]=4 2640 B13R1.52 COc1cc(ccc1F)NC(=O)C 22a_100000701188_100000070787 [0,1,0,0,0,1|2,0,0]=4 2641 B13R1.52 COc1cc(ccc1F)NC(=O)C 527a_100000701188_100103153847 [0,1,0,0,0,1|2,0,0]=4 2642 B13R1.52 COc1cc(ccc1I)NC(=O)C 11a_100000746945_100015343762 [0,1,0,0,0,1|2,0,0]=4 2643 B13R1.52 COc1cc(ccc1I)NC(=O)C 1626a_100000746945_100015343762 [0,1,0,0,0,1|2,0,0]=4 2644 B13R1.52 COc1cc(ccc1I)NC(=O)C 22a_100000746945_100000070787 [0,1,0,0,0,1|2,0,0]=4 2645 B13R1.52 COc1cc(ccc1I)NC(=O)C 527a_100000746945_100103153847 [0,1,0,0,0,1|2,0,0]=4 2646 B13R1.52 COc1cc(ccc1O)C=C(C)C 271570a_100102525489_100000694246 [0,1,0,0,0,1|2,0,0]=4 2647 B13R1.52 COc1cc(ccc1O)CC(=O)C 1458a_100000032101_200000210301 [0,1,0,0,0,1|1,0,0]=3 2648 B13R1.52 COc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000032101_200025704644 [0,1,0,0,0,1|1,0,0]=3 2649 B13R1.52 COc1cc(ccc1O)NC(=O)C 22a_100000726020_100000070787 [0,1,0,0,0,1|1,0,0]=3 2650 B13R1.52 COc1cc(ccc1O)NC(=O)C 527a_100000726020_100103153847 [0,1,0,0,0,1|1,0,0]=3 2651 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_100010141077_200000210301 [0,1,0,0,0,1|1,1,0]=4 2652 B13R1.52 CSc1cc(ccc1O)CC(=O)C 62a_200000210301_100010141077 [0,1,0,0,0,1|1,1,0]=4 2653 B13R1.510 CC(=C(C)c1ccc(c(c1)O)O)C 271570a_200000049429_100009813601 [0,1,0,0,0,1|2,0,0]=4 2654 B13R1.510 CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200000210301 [0,1,0,0,0,1|1,0,0]=3 2655 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200025704644 [0,1,0,0,0,1|1,0,0]=3 2656 B13R1.876 CC(=O)Nc1cc(c(cc1Br)O)Br 527a_100011080774_100103153847 [0,1,0,0,0,1|2,0,0]=4 2657 B13R1.876 CC(=O)Nc1cc(c(cc1C)Cl)O 22a_100009961766_100000070787 [0,1,0,0,0,1|2,0,0]=4 2658 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 11a_100000720036_100015343762 [0,1,0,0,0,1|2,0,0]=4 2659 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 22a_100000720036_100000070787 [0,1,0,0,0,1|2,0,0]=4 2660 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 271570a_203496583355_100009992581 [0,1,0,0,0,1|2,0,0]=4 2661 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)C 527a_100000720036_100103153847 [0,1,0,0,0,1|2,0,0]=4 2662 B13R1.876 CC(=O)Nc1cc(c(cc1C)O)F 271570a_203496583355_200013212116 [0,1,0,0,0,1|2,0,0]=4 2663 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)C)O 22a_100000092876_100000070787 [0,1,0,0,0,1|2,0,0]=4 2664 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)O)F 22a_100009886023_100000070787 [0,1,0,0,0,1|2,0,0]=4 2665 B13R1.876 CC(=O)Nc1cc(c(cc1Cl)O)F 527a_100009886023_100103153847 [0,1,0,0,0,1|2,0,0]=4 2666 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)O 22a_100000117193_100000070787 [0,1,0,0,0,1|2,0,0]=4 2667 B13R1.876 CC(=O)Nc1cc(c(cc1F)C)O 527a_100000117193_100103153847 [0,1,0,0,0,1|2,0,0]=4 2668 B13R1.876 CC(=O)Nc1cc(c(cc1F)Cl)O 22a_100000042052_100000070787 [0,1,0,0,0,1|2,0,0]=4 2669 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)O 22a_100011219470_100000070787 [0,1,0,0,0,1|2,0,0]=4 2670 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)O 271570a_203496583355_200013902858 [0,1,0,0,0,1|2,0,0]=4 2671 B13R1.876 CC(=O)Nc1cc(c(cc1F)F)O 527a_100011219470_100103153847 [0,1,0,0,0,1|2,0,0]=4 2672 B13R1.876 CC(=O)Nc1cc(c(cc1F)O)F 22a_100020635945_100000070787 [0,1,0,0,0,1|2,0,0]=4 2673 B13R1.876 CC(=O)Nc1cc(c(cc1F)O)F 271570a_203496583355_200012359909 [0,1,0,0,0,1|2,0,0]=4 2674 B13R1.876 CC(=O)Nc1cc(c(cc1F)O)F 527a_100020635945_100103153847 [0,1,0,0,0,1|2,0,0]=4 2675 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000185746 [0,1,0,0,0,1|2,0,0]=4 2676 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000185746 [0,1,0,0,0,1|2,0,0]=4 2677 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000185746 [0,1,0,0,0,1|2,0,0]=4 2678 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000185746 [0,1,0,0,0,1|2,0,0]=4 2679 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000185746 [0,1,0,0,0,1|2,0,0]=4 2680 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000185746 [0,1,0,0,0,1|2,0,0]=4 2681 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000185746 [0,1,0,0,0,1|2,0,0]=4 2682 B13R1.2879 C=CC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000185746 [0,1,0,0,0,1|1,0,0]=3 2683 B13R1.2879 CC(CO)Nc1ccc(c(c1)O)O 34a_100102946323_100012180447 [0,1,0,0,0,1|1,0,1]=4 2684 B13R1.2879 CC(CO)Sc1ccc(c(c1)O)O 62a_100012180447_100009813601 [0,1,0,0,0,1|1,0,1]=4 2685 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Br)O 1458a_100009990404_100000210202 [0,1,0,0,0,1|2,0,0]=4 2686 B13R1.2879 CCC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_100000210202 [0,1,0,0,0,1|2,0,0]=4 2687 B13R1.2879 CCC(=O)Cc1ccc(c(c1)Cl)O 1458a_100000035197_100000210202 [0,1,0,0,0,1|2,0,0]=4 2688 B13R1.2879 CCC(=O)Cc1ccc(c(c1)F)O 1458a_100000039761_100000210202 [0,1,0,0,0,1|2,0,0]=4 2689 B13R1.2879 CCC(=O)Cc1ccc(c(c1)O)C 1458a_100000082272_100000210202 [0,1,0,0,0,1|2,0,0]=4 2690 B13R1.2879 CCC(=O)Cc1ccc(c(c1)O)O 1458a_100000031429_100000210202 [0,1,0,0,0,1|1,0,0]=3 2691 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)O 22a_100011534360_100000210414 [0,1,0,0,0,1|2,0,0]=4 2692 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Br)O 527a_100011534360_100000210414 [0,1,0,0,0,1|2,0,0]=4 2693 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100000210414 [0,1,0,0,0,1|2,0,0]=4 2694 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000210414 [0,1,0,0,0,1|2,0,0]=4 2695 B13R1.2879 CCC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100000210414 [0,1,0,0,0,1|2,0,0]=4 2696 B13R1.2879 CCC(=O)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000210414 [0,1,0,0,0,1|2,0,0]=4 2697 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)O 22a_100011220035_100000210414 [0,1,0,0,0,1|2,0,0]=4 2698 B13R1.2879 CCC(=O)Nc1ccc(c(c1)F)O 527a_100011220035_100000210414 [0,1,0,0,0,1|2,0,0]=4 2699 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)C 11a_100000759471_100000210414 [0,1,0,0,0,1|2,0,0]=4 2700 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)C 22a_100000759471_100000210414 [0,1,0,0,0,1|2,0,0]=4 2701 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)C 527a_100000759471_100000210414 [0,1,0,0,0,1|2,0,0]=4 2702 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000210414 [0,1,0,0,0,1|2,0,0]=4 2703 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)F 22a_100012017398_100000210414 [0,1,0,0,0,1|2,0,0]=4 2704 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)F 527a_100012017398_100000210414 [0,1,0,0,0,1|2,0,0]=4 2705 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)O 22a_100102946323_100000210414 [0,1,0,0,0,1|1,0,0]=3 2706 B13R1.2879 CCC(=O)Nc1ccc(c(c1)O)O 527a_100102946323_100000210414 [0,1,0,0,0,1|1,0,0]=3 2707 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)O 240690a_100102657272_100009990404 [0,1,0,0,0,1|2,0,0]=4 2708 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)O 527a_100102657272_100009990404 [0,1,0,0,0,1|2,0,0]=4 2709 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)O 240690a_100102657272_100000083968 [0,1,0,0,0,1|2,0,0]=4 2710 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)O 527a_100102657272_100000083968 [0,1,0,0,0,1|2,0,0]=4 2711 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)O 240690a_100102657272_100000035197 [0,1,0,0,0,1|2,0,0]=4 2712 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)O 527a_100102657272_100000035197 [0,1,0,0,0,1|2,0,0]=4 2713 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)O 240690a_100102657272_100000039761 [0,1,0,0,0,1|2,0,0]=4 2714 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)O 527a_100102657272_100000039761 [0,1,0,0,0,1|2,0,0]=4 2715 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)C 11a_106832991635_100000082272 [0,1,0,0,0,1|2,0,0]=4 2716 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)C 240690a_100102657272_100000082272 [0,1,0,0,0,1|2,0,0]=4 2717 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)C 527a_100102657272_100000082272 [0,1,0,0,0,1|2,0,0]=4 2718 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)O 527a_100102657272_100000031429 [0,1,0,0,0,1|1,0,0]=3 2719 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Br)O 2430a_100011534360_100102657272 [0,1,0,0,0,1|2,0,0]=4 2720 B13R1.2879 CNC(=O)Nc1ccc(c(c1)C)O 2430a_100011218179_100102657272 [0,1,0,0,0,1|2,0,0]=4 2721 B13R1.2879 CNC(=O)Nc1ccc(c(c1)Cl)O 2430a_100000744943_100102657272 [0,1,0,0,0,1|2,0,0]=4 2722 B13R1.2879 CNC(=O)Nc1ccc(c(c1)F)O 2430a_100011220035_100102657272 [0,1,0,0,0,1|2,0,0]=4 2723 B13R1.2879 CNC(=O)Nc1ccc(c(c1)O)C 2430a_100000759471_100102657272 [0,1,0,0,0,1|2,0,0]=4 2724 B13R1.2879 CNC(=O)Nc1ccc(c(c1)O)Cl 2430a_100011934209_100102657272 [0,1,0,0,0,1|2,0,0]=4 2725 B13R1.2879 CNC(=O)Nc1ccc(c(c1)O)F 2430a_100012017398_100102657272 [0,1,0,0,0,1|2,0,0]=4 2726 B13R1.2879 CNC(=O)Nc1ccc(c(c1)O)O 2430a_100102946323_100102657272 [0,1,0,0,0,1|1,0,0]=3 2727 B13R1.2879 COC(=O)Cc1cc(c(cn1)C)O 271570a_203496583355_100015669916 [0,1,0,0,0,1|2,0,0]=4 2728 B13R1.2879 COC(=O)Cc1ccc(c(c1)F)O 271570a_203496583355_100010371902 [0,1,0,0,0,1|1,0,0]=3 2729 B13R1.2879 COC(=O)Cc1ccc(c(c1)O)F 271570a_203496583355_100011435807 [0,1,0,0,0,1|1,0,0]=3 2730 B13R1.2879 COC(=O)Cc1ccc(c(c1)O)O 271570a_203496583355_100010222482 [0,1,0,0,0,1|0,0,0]=2 2731 B13R1.2879 COC(=O)Nc1ccc(c(c1)N)O 271570a_203496583355_100012639261 [0,1,0,0,0,1|1,0,0]=3 2732 B13R1.2879 COC(C)Sc1ccc(c(c1)O)O 62a_100009879195_100009813601 [0,1,0,0,0,1|1,0,1]=4 2733 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)O 62a_100016084084_100009813601 [0,1,0,0,0,1|1,0,1]=4 2734 B13R1.2879 Cc1cc(ccc1Br)CC(=O)CO 1458a_100000210174_100000727479 [0,1,0,0,0,1|2,0,0]=4 2735 B13R1.2879 Cc1cc(ccc1Br)NC(=O)CO 22a_100000210723_100000210174 [0,1,0,0,0,1|2,0,0]=4 2736 B13R1.2879 Cc1cc(ccc1Br)NC(=O)CO 527a_100000210723_100000210174 [0,1,0,0,0,1|2,0,0]=4 2737 B13R1.2879 Cc1cc(ccc1Cl)CC(=O)CO 1458a_100000210174_100012184735 [0,1,0,0,0,1|2,0,0]=4 2738 B13R1.2879 Cc1cc(ccc1Cl)NC(=O)CO 22a_100000187808_100000210174 [0,1,0,0,0,1|2,0,0]=4 2739 B13R1.2879 Cc1cc(ccc1Cl)NC(=O)CO 527a_100000187808_100000210174 [0,1,0,0,0,1|2,0,0]=4 2740 B13R1.2879 Cc1cc(ccc1F)CC(=O)CO 1458a_100000210174_100011216667 [0,1,0,0,0,1|2,0,0]=4 2741 B13R1.2879 Cc1cc(ccc1F)NC(=O)CO 22a_100000750164_100000210174 [0,1,0,0,0,1|2,0,0]=4 2742 B13R1.2879 Cc1cc(ccc1F)NC(=O)CO 527a_100000750164_100000210174 [0,1,0,0,0,1|2,0,0]=4 2743 B13R1.2879 Cc1cc(ccc1I)NC(=O)CO 22a_100000198070_100000210174 [0,1,0,0,0,1|2,0,0]=4 2744 B13R1.2879 Cc1cc(ccc1I)NC(=O)CO 527a_100000198070_100000210174 [0,1,0,0,0,1|2,0,0]=4 2745 B13R1.2879 Cc1cc(ccc1O)CC(=O)CF 1458a_100000083968_100015361967 [0,1,0,0,0,1|2,0,0]=4 2746 B13R1.2879 Cc1cc(ccc1O)NC(=O)CO 22a_100011218179_100000210174 [0,1,0,0,0,1|1,0,0]=3 2747 B13R1.2879 Cc1cc(ccc1O)NC(=O)CO 527a_100011218179_100000210174 [0,1,0,0,0,1|1,0,0]=3 2748 B13R1.2879 Cc1ccc(cc1Br)CC(=O)CO 1458a_100000210174_100012232412 [0,1,0,0,0,1|2,0,0]=4 2749 B13R1.2879 Cc1ccc(cc1Br)NC(=O)CO 22a_100000736455_100000210174 [0,1,0,0,0,1|2,0,0]=4 2750 B13R1.2879 Cc1ccc(cc1Br)NC(=O)CO 527a_100000736455_100000210174 [0,1,0,0,0,1|2,0,0]=4 2751 B13R1.2879 Cc1ccc(cc1C)CC(=O)CO 1458a_100000210174_100000742320 [0,1,0,0,0,1|2,0,0]=4 2752 B13R1.2879 Cc1ccc(cc1C)NC(=O)CO 22a_100000724040_100000210174 [0,1,0,0,0,1|2,0,0]=4 2753 B13R1.2879 Cc1ccc(cc1C)NC(=O)CO 527a_100000724040_100000210174 [0,1,0,0,0,1|2,0,0]=4 2754 B13R1.2879 Cc1ccc(cc1Cl)CC(=O)CO 1458a_100000210174_100011823929 [0,1,0,0,0,1|2,0,0]=4 2755 B13R1.2879 Cc1ccc(cc1Cl)NC(=O)CO 22a_100000188892_100000210174 [0,1,0,0,0,1|2,0,0]=4 2756 B13R1.2879 Cc1ccc(cc1Cl)NC(=O)CO 527a_100000188892_100000210174 [0,1,0,0,0,1|2,0,0]=4 2757 B13R1.2879 Cc1ccc(cc1F)CC(=O)CO 1458a_100000210174_100011217369 [0,1,0,0,0,1|2,0,0]=4 2758 B13R1.2879 Cc1ccc(cc1F)NC(=O)CO 22a_100000210958_100000210174 [0,1,0,0,0,1|2,0,0]=4 2759 B13R1.2879 Cc1ccc(cc1F)NC(=O)CO 527a_100000210958_100000210174 [0,1,0,0,0,1|2,0,0]=4 2760 B13R1.2879 Cc1ccc(cc1I)CC(=O)CO 1458a_100000210174_100010206137 [0,1,0,0,0,1|2,0,0]=4 2761 B13R1.2879 Cc1ccc(cc1I)NC(=O)CO 22a_100000184131_100000210174 [0,1,0,0,0,1|2,0,0]=4 2762 B13R1.2879 Cc1ccc(cc1I)NC(=O)CO 527a_100000184131_100000210174 [0,1,0,0,0,1|2,0,0]=4 2763 B13R1.2879 Cc1ccc(cc1O)CC(=O)CF 1458a_100000082272_100015361967 [0,1,0,0,0,1|2,0,0]=4 2764 B13R1.2879 Cc1ccc(cc1O)NC(=O)CO 22a_100000759471_100000210174 [0,1,0,0,0,1|1,0,0]=3 2765 B13R1.2879 Cc1ccc(cc1O)NC(=O)CO 527a_100000759471_100000210174 [0,1,0,0,0,1|1,0,0]=3 2766 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Br)O 1458a_100009990404_100015361967 [0,1,0,0,0,1|2,0,0]=4 2767 B13R1.2879 O=C(CF)Cc1ccc(c(c1)Cl)O 1458a_100000035197_100015361967 [0,1,0,0,0,1|2,0,0]=4 2768 B13R1.2879 O=C(CF)Cc1ccc(c(c1)F)O 1458a_100000039761_100015361967 [0,1,0,0,0,1|2,0,0]=4 2769 B13R1.2879 O=C(CF)Cc1ccc(c(c1)O)O 1458a_100000031429_100015361967 [0,1,0,0,0,1|1,0,0]=3 2770 B13R1.2879 O=C(CO)Cc1cc(=O)c(co1)O 1458a_100000210174_100000010605 [0,1,0,0,0,1|1,0,1]=4 2771 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Br)Br 1458a_100000210174_100012353900 [0,1,0,0,0,1|2,0,0]=4 2772 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Br)Cl 1458a_100000210174_100012353894 [0,1,0,0,0,1|2,0,0]=4 2773 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Br)F 1458a_100000210174_100011206884 [0,1,0,0,0,1|2,0,0]=4 2774 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)Br 1458a_100000210174_100012353895 [0,1,0,0,0,1|2,0,0]=4 2775 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)Cl 1458a_100000210174_100000184707 [0,1,0,0,0,1|2,0,0]=4 2776 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)F 1458a_100000210174_100000717365 [0,1,0,0,0,1|2,0,0]=4 2777 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)I 1458a_100000210174_100012349665 [0,1,0,0,0,1|2,0,0]=4 2778 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)Br 1458a_100000210174_100000767054 [0,1,0,0,0,1|2,0,0]=4 2779 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)Cl 1458a_100000210174_100000716492 [0,1,0,0,0,1|2,0,0]=4 2780 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)F 1458a_100000210174_100000757363 [0,1,0,0,0,1|2,0,0]=4 2781 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)I 1458a_100000210174_100010149604 [0,1,0,0,0,1|2,0,0]=4 2782 B13R1.2879 O=C(CO)Cc1ccc(c(c1)I)Br 1458a_100000210174_100010146616 [0,1,0,0,0,1|2,0,0]=4 2783 B13R1.2879 O=C(CO)Cc1ccc(c(c1)I)F 1458a_100000210174_100010188208 [0,1,0,0,0,1|2,0,0]=4 2784 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)Br 22a_100011306057_100000210174 [0,1,0,0,0,1|2,0,0]=4 2785 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)Br 527a_100011306057_100000210174 [0,1,0,0,0,1|2,0,0]=4 2786 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)Cl 22a_100000686031_100000210174 [0,1,0,0,0,1|2,0,0]=4 2787 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)Cl 527a_100000686031_100000210174 [0,1,0,0,0,1|2,0,0]=4 2788 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)F 22a_100000760356_100000210174 [0,1,0,0,0,1|2,0,0]=4 2789 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)F 527a_100000760356_100000210174 [0,1,0,0,0,1|2,0,0]=4 2790 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)I 22a_100000750458_100000210174 [0,1,0,0,0,1|2,0,0]=4 2791 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)I 527a_100000750458_100000210174 [0,1,0,0,0,1|2,0,0]=4 2792 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)O 22a_100011534360_100000210174 [0,1,0,0,0,1|1,0,0]=3 2793 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Br)O 527a_100011534360_100000210174 [0,1,0,0,0,1|1,0,0]=3 2794 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)Br 22a_100000687081_100000210174 [0,1,0,0,0,1|2,0,0]=4 2795 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)Br 527a_100000687081_100000210174 [0,1,0,0,0,1|2,0,0]=4 2796 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)Cl 22a_100000184108_100000210174 [0,1,0,0,0,1|2,0,0]=4 2797 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)Cl 527a_100000184108_100000210174 [0,1,0,0,0,1|2,0,0]=4 2798 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)F 22a_100000211060_100000210174 [0,1,0,0,0,1|2,0,0]=4 2799 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)F 527a_100000211060_100000210174 [0,1,0,0,0,1|2,0,0]=4 2800 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)I 22a_100000761885_100000210174 [0,1,0,0,0,1|2,0,0]=4 2801 B13R1.2879 O=C(CO)Nc1ccc(c(c1)Cl)O 22a_100000744943_100000210174 [0,1,0,0,0,1|1,0,0]=3 2802 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)Br 22a_100000759894_100000210174 [0,1,0,0,0,1|2,0,0]=4 2803 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)Br 527a_100000759894_100000210174 [0,1,0,0,0,1|2,0,0]=4 2804 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)Cl 22a_100000739366_100000210174 [0,1,0,0,0,1|2,0,0]=4 2805 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)F 22a_100000210724_100000210174 [0,1,0,0,0,1|2,0,0]=4 2806 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)I 22a_100011356925_100000210174 [0,1,0,0,0,1|2,0,0]=4 2807 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)O 22a_100011220035_100000210174 [0,1,0,0,0,1|1,0,0]=3 2808 B13R1.2879 O=C(CO)Nc1ccc(c(c1)F)O 527a_100011220035_100000210174 [0,1,0,0,0,1|1,0,0]=3 2809 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)Br 22a_100000750459_100000210174 [0,1,0,0,0,1|2,0,0]=4 2810 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)Br 527a_100000750459_100000210174 [0,1,0,0,0,1|2,0,0]=4 2811 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)Cl 22a_100012360549_100000210174 [0,1,0,0,0,1|2,0,0]=4 2812 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)Cl 527a_100012360549_100000210174 [0,1,0,0,0,1|2,0,0]=4 2813 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)F 22a_114828291077_100000210174 [0,1,0,0,0,1|2,0,0]=4 2814 B13R1.2879 O=C(CO)Nc1ccc(c(c1)I)F 527a_114828291077_100000210174 [0,1,0,0,0,1|2,0,0]=4 2815 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)Cl 22a_100011934209_100000210174 [0,1,0,0,0,1|1,0,0]=3 2816 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)F 22a_100012017398_100000210174 [0,1,0,0,0,1|1,0,0]=3 2817 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)F 527a_100012017398_100000210174 [0,1,0,0,0,1|1,0,0]=3 2818 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)O 22a_100102946323_100000210174 [0,1,0,0,0,1|0,0,0]=2 2819 B13R1.2879 O=C(CO)Nc1ccc(c(c1)O)O 527a_100102946323_100000210174 [0,1,0,0,0,1|0,0,0]=2 2820 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)O 11a_200011216674_100015343762 [0,1,0,0,0,1|2,0,0]=4 2821 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)O 22a_200011216674_100000070787 [0,1,0,0,0,1|2,0,0]=4 2822 B13R1.3528 CC(=O)Nc1ccc(c(c1C)C)O 527a_200011216674_100103153847 [0,1,0,0,0,1|2,0,0]=4 2823 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)Cl)O 527a_100012017499_100103153847 [0,1,0,0,0,1|2,0,0]=4 2824 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)O)C 11a_100000036876_100015343762 [0,1,0,0,0,1|2,0,0]=4 2825 B13R1.3528 CC(=O)Nc1ccc(c(c1Cl)O)C 22a_100000036876_100000070787 [0,1,0,0,0,1|2,0,0]=4 2826 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)O 11a_200000126710_100015343762 [0,1,0,0,0,1|2,0,0]=4 2827 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)O 22a_200000126710_100000070787 [0,1,0,0,0,1|2,0,0]=4 2828 B13R1.3528 CC(=O)Nc1ccc(c(c1F)C)O 527a_200000126710_100103153847 [0,1,0,0,0,1|2,0,0]=4 2829 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)O 22a_200000098347_100000070787 [0,1,0,0,0,1|2,0,0]=4 2830 B13R1.3528 CC(=O)Nc1ccc(c(c1F)Cl)O 527a_200000098347_100103153847 [0,1,0,0,0,1|2,0,0]=4 2831 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)O 22a_100015204651_100000070787 [0,1,0,0,0,1|2,0,0]=4 2832 B13R1.3528 CC(=O)Nc1ccc(c(c1F)F)O 527a_100015204651_100103153847 [0,1,0,0,0,1|2,0,0]=4 2833 B13R1.3763 CC(=O)Cc1cc(c(c(c1)Br)O)Br 1458a_100009996861_200000210301 [0,1,0,0,0,1|2,0,0]=4 2834 B13R1.3763 CC(=O)Cc1cc(c(c(c1)C)O)C 1458a_200000099080_200000210301 [0,1,0,0,0,1|2,0,0]=4 2835 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)O)Br 22a_200000186426_100000070787 [0,1,0,0,0,1|2,0,0]=4 2836 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)O)Br 527a_200000186426_100103153847 [0,1,0,0,0,1|2,0,0]=4 2837 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)O)C 11a_100010064301_100015343762 [0,1,0,0,0,1|2,0,0]=4 2838 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)O)C 22a_100010064301_100000070787 [0,1,0,0,0,1|2,0,0]=4 2839 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Br)O)C 527a_100010064301_100103153847 [0,1,0,0,0,1|2,0,0]=4 2840 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)O)C 11a_100000703291_100015343762 [0,1,0,0,0,1|2,0,0]=4 2841 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)O)C 1626a_100000703291_100015343762 [0,1,0,0,0,1|2,0,0]=4 2842 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)O)C 22a_100000703291_100000070787 [0,1,0,0,0,1|2,0,0]=4 2843 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)O)C 271570a_203496583355_200012340666 [0,1,0,0,0,1|2,0,0]=4 2844 B13R1.3763 CC(=O)Nc1cc(c(c(c1)C)O)C 527a_100000703291_100103153847 [0,1,0,0,0,1|2,0,0]=4 2845 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)Cl)O 22a_100015839415_100000070787 [0,1,0,0,0,1|2,0,0]=4 2846 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)O)Cl 22a_100000695418_100000070787 [0,1,0,0,0,1|2,0,0]=4 2847 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)O)Cl 271570a_203496583355_106256037338 [0,1,0,0,0,1|2,0,0]=4 2848 B13R1.3763 CC(=O)Nc1cc(c(c(c1)Cl)O)Cl 527a_100000695418_100103153847 [0,1,0,0,0,1|2,0,0]=4 2849 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)O)F 1626a_100016987357_100015343762 [0,1,0,0,0,1|2,0,0]=4 2850 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)O)F 22a_100016987357_100000070787 [0,1,0,0,0,1|2,0,0]=4 2851 B13R1.3763 CC(=O)Nc1cc(c(c(c1)F)O)F 527a_100016987357_100103153847 [0,1,0,0,0,1|2,0,0]=4 2852 B13R1.3763 Cc1cc(cc(c1O)C)CC(=O)[13CH3] 1458a_200000099080_200025704644 [0,1,0,0,0,1|2,0,0]=4 2853 B13R1.3763 [13CH3]C(=O)Cc1cc(c(c(c1)Br)O)Br 1458a_100009996861_200025704644 [0,1,0,0,0,1|2,0,0]=4 2854 B13R1.120 C=C(C)c1ccc(c(c1)O)B(O)O 271570a_100000694244_100010158982 [0,2,0,0,0,0|2,0,0]=4 2855 B13R1.120 C=C(C)c1ccc(cc1O)C(=O)N 271570a_100000694244_100012344895 [0,2,0,0,0,0|2,0,0]=4 2856 B13R1.120 CC(=O)c1ccc(c(c1)O)[N+](=O)[O-] 1458a_100000195568_200000210301 [0,2,0,0,0,0|1,0,1]=4 2857 B13R1.120 [13CH3]C(=O)c1ccc(c(c1)O)[N+](=O)[O-] 1458a_100000195568_200025704644 [0,2,0,0,0,0|1,0,1]=4 2858 B13R1.144 C=C=Cc1ccc(cc1O)C(=O)N 271570a_100015277604_100012344895 [0,2,0,0,0,0|2,0,0]=4 2859 B13R1.144 CC(=O)c1ccc(c(c1)Br)OCF 34a_100011772453_100015361967 [0,2,0,0,0,0|2,0,0]=4 2860 B13R1.144 CC(=O)c1ccc(c(c1)Br)OCF 7a_100011772453_100015361967 [0,2,0,0,0,0|2,0,0]=4 2861 B13R1.144 CC(=O)c1ccc(c(c1)C)OCF 34a_100000188726_100015361967 [0,2,0,0,0,0|2,0,0]=4 2862 B13R1.144 CC(=O)c1ccc(c(c1)C)OCF 7a_100000188726_100015361967 [0,2,0,0,0,0|2,0,0]=4 2863 B13R1.144 CC(=O)c1ccc(c(c1)Cl)OCF 34a_100000188625_100015361967 [0,2,0,0,0,0|2,0,0]=4 2864 B13R1.144 CC(=O)c1ccc(c(c1)Cl)OCF 7a_100000188625_100015361967 [0,2,0,0,0,0|2,0,0]=4 2865 B13R1.144 CC(=O)c1ccc(c(c1)F)OCF 34a_100000751691_100015361967 [0,2,0,0,0,0|2,0,0]=4 2866 B13R1.144 CC(=O)c1ccc(c(c1)F)OCF 7a_100000751691_100015361967 [0,2,0,0,0,0|2,0,0]=4 2867 B13R1.144 CC(=O)c1ccc(c(c1)N)OCF 34a_100000117292_100015361967 [0,2,0,0,0,0|2,0,0]=4 2868 B13R1.144 CC(=O)c1ccc(c(c1)N)OCF 7a_100000117292_100015361967 [0,2,0,0,0,0|2,0,0]=4 2869 B13R1.144 CC=Cc1ccc(cc1O)C(=O)N 271570a_100016259895_100012344895 [0,2,0,0,0,0|2,0,0]=4 2870 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 1458a_100000230806_200000210301 [0,2,0,0,0,0|2,0,0]=4 2871 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 34a_100011772453_100000210202 [0,2,0,0,0,0|2,0,0]=4 2872 B13R1.144 CCOc1ccc(cc1Br)C(=O)C 7a_100011772453_100000210202 [0,2,0,0,0,0|2,0,0]=4 2873 B13R1.144 CCOc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000230806_200025704644 [0,2,0,0,0,0|2,0,0]=4 2874 B13R1.144 CCOc1ccc(cc1C)C(=O)C 34a_100000188726_100000210202 [0,2,0,0,0,0|2,0,0]=4 2875 B13R1.144 CCOc1ccc(cc1C)C(=O)C 7a_100000188726_100000210202 [0,2,0,0,0,0|2,0,0]=4 2876 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 1458a_100000230665_200000210301 [0,2,0,0,0,0|2,0,0]=4 2877 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 34a_100000188625_100000210202 [0,2,0,0,0,0|2,0,0]=4 2878 B13R1.144 CCOc1ccc(cc1Cl)C(=O)C 7a_100000188625_100000210202 [0,2,0,0,0,0|2,0,0]=4 2879 B13R1.144 CCOc1ccc(cc1Cl)C(=O)N 34a_200000192832_100000210202 [0,2,0,0,0,0|2,0,0]=4 2880 B13R1.144 CCOc1ccc(cc1Cl)C(=O)N 7a_200000192832_100000210202 [0,2,0,0,0,0|2,0,0]=4 2881 B13R1.144 CCOc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000230665_200025704644 [0,2,0,0,0,0|2,0,0]=4 2882 B13R1.144 CCOc1ccc(cc1F)C(=O)C 34a_100000751691_100000210202 [0,2,0,0,0,0|2,0,0]=4 2883 B13R1.144 CCOc1ccc(cc1F)C(=O)C 7a_100000751691_100000210202 [0,2,0,0,0,0|2,0,0]=4 2884 B13R1.144 CCOc1ccc(cc1N)C(=O)C 34a_100000117292_100000210202 [0,2,0,0,0,0|2,0,0]=4 2885 B13R1.144 CCOc1ccc(cc1N)C(=O)C 7a_100000117292_100000210202 [0,2,0,0,0,0|2,0,0]=4 2886 B13R1.144 CCSc1ccc(cc1O)C(=O)N 62a_100000210202_100012344895 [0,2,0,0,0,0|1,1,0]=4 2887 B13R1.144 CCSc1ccc(cc1O)C(=O)N 62a_100012344895_100000210202 [0,2,0,0,0,0|1,1,0]=4 2888 B13R1.144 COCc1ccc(cc1Br)C(=O)C 34a_100138415774_100010884425 [0,2,0,0,0,0|2,0,0]=4 2889 B13R1.144 NC(=O)c1ccc(c(c1)Cl)OCF 34a_200000192832_100015361967 [0,2,0,0,0,0|2,0,0]=4 2890 B13R1.144 NC(=O)c1ccc(c(c1)Cl)OCF 7a_200000192832_100015361967 [0,2,0,0,0,0|2,0,0]=4 2891 B13R1.144 NC(=O)c1ccc(c(c1)O)SCF 62a_100012344895_100015361967 [0,2,0,0,0,0|1,1,0]=4 2892 B13R1.144 NC(=O)c1ccc(c(c1)O)SCF 62a_100015361967_100012344895 [0,2,0,0,0,0|1,1,0]=4 2893 B13R1.652 COc1cc(c(cc1Br)C(=O)C)C 1458a_100010233827_200000210301 [0,2,0,0,0,0|2,0,0]=4 2894 B13R1.652 COc1cc(c(cc1Br)C(=O)C)F 1458a_100010270082_200000210301 [0,2,0,0,0,0|2,0,0]=4 2895 B13R1.652 COc1cc(c(cc1Br)C(=O)C)O 1458a_100009816734_200000210301 [0,2,0,0,0,0|2,0,0]=4 2896 B13R1.652 COc1cc(c(cc1Br)C(=O)[13CH3])C 1458a_100010233827_200025704644 [0,2,0,0,0,0|2,0,0]=4 2897 B13R1.652 COc1cc(c(cc1Br)C(=O)[13CH3])F 1458a_100010270082_200025704644 [0,2,0,0,0,0|2,0,0]=4 2898 B13R1.652 COc1cc(c(cc1Br)C(=O)[13CH3])O 1458a_100009816734_200025704644 [0,2,0,0,0,0|2,0,0]=4 2899 B13R1.652 COc1cc(c(cc1C)C(=O)C)C 1458a_100011996352_200000210301 [0,2,0,0,0,0|2,0,0]=4 2900 B13R1.652 COc1cc(c(cc1C)C(=O)[13CH3])C 1458a_100011996352_200025704644 [0,2,0,0,0,0|2,0,0]=4 2901 B13R1.652 COc1cc(c(cc1F)C(=O)C)F 1458a_100009861218_200000210301 [0,2,0,0,0,0|2,0,0]=4 2902 B13R1.652 COc1cc(c(cc1F)C(=O)[13CH3])F 1458a_100009861218_200025704644 [0,2,0,0,0,0|2,0,0]=4 2903 B13R1.652 COc1cc(c(cc1O)B(O)O)F 271570a_203496583355_200010749502 [0,2,0,0,0,0|1,0,1]=4 2904 B13R1.652 COc1cc(c(cc1O)C(=O)C)Br 1458a_100010074811_200000210301 [0,2,0,0,0,0|1,0,0]=3 2905 B13R1.652 COc1cc(c(cc1O)C(=O)C)O 271570a_203496583355_100009813116 [0,2,0,0,0,0|1,0,0]=3 2906 B13R1.652 COc1cc(c(cc1O)C(=O)[13CH3])Br 1458a_100010074811_200025704644 [0,2,0,0,0,0|1,0,0]=3 2907 B13R1.3088 C=Cc1ccc(cc1Br)C(=O)OC 271570a_100011290941_100011294788 [0,2,0,0,0,0|2,0,0]=4 2908 B13R1.3088 C=Cc1ccc(cc1C)C(=O)OC 271570a_100011290941_100011215878 [0,2,0,0,0,0|2,0,0]=4 2909 B13R1.3088 C=Cc1ccc(cc1Cl)C(=O)OC 271570a_100011290941_100012356344 [0,2,0,0,0,0|2,0,0]=4 2910 B13R1.3088 C=Cc1ccc(cc1F)C(=O)OC 271570a_100011290941_100000703229 [0,2,0,0,0,0|2,0,0]=4 2911 B13R1.3088 C=Cc1ccc(cc1N)C(=O)OC 271570a_100011290941_100011450966 [0,2,0,0,0,0|2,0,0]=4 2912 B13R1.3088 C=Cc1ccc(cc1O)C(=O)OC 271570a_100011290941_100012350776 [0,2,0,0,0,0|1,0,0]=3 2913 B13R1.3088 C=Cc1ccc(nc1O)C(=O)OC 271570a_100011290941_100010189637 [0,2,0,0,0,0|2,0,0]=4 2914 B13R1.3088 C=Cc1ncc(cc1O)C(=O)OC 271570a_100011290941_100010999399 [0,2,0,0,0,0|2,0,0]=4 2915 B13R1.3088 CCC(=O)c1ccc(c(c1)Br)OC 1458a_100000187947_100000210202 [0,2,0,0,0,0|2,0,0]=4 2916 B13R1.3088 CCC(=O)c1ccc(c(c1)C)OC 1458a_100011202886_100000210202 [0,2,0,0,0,0|2,0,0]=4 2917 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 1458a_100000188346_100000210202 [0,2,0,0,0,0|2,0,0]=4 2918 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 34a_100011218862_200000210301 [0,2,0,0,0,0|2,0,0]=4 2919 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)OC 7a_100011218862_200000210301 [0,2,0,0,0,0|2,0,0]=4 2920 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100011218862_200025704644 [0,2,0,0,0,0|2,0,0]=4 2921 B13R1.3088 CCC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100011218862_200025704644 [0,2,0,0,0,0|2,0,0]=4 2922 B13R1.3088 CCC(=O)c1ccc(c(c1)F)CO 1458a_100000687192_100000210202 [0,2,0,0,0,0|2,0,0]=4 2923 B13R1.3088 CCC(=O)c1ccc(c(c1)F)OC 1458a_100000186160_100000210202 [0,2,0,0,0,0|2,0,0]=4 2924 B13R1.3088 CCC(=O)c1ccc(c(c1)I)OC 1458a_100000188716_100000210202 [0,2,0,0,0,0|2,0,0]=4 2925 B13R1.3088 CCC(=O)c1ccc(c(c1)O)CC 1458a_100000089006_100000210202 [0,2,0,0,0,0|2,0,0]=4 2926 B13R1.3088 CCC(=O)c1ccc(c(c1)O)OC 1458a_100000766810_100000210202 [0,2,0,0,0,0|1,0,0]=3 2927 B13R1.3088 CCc1ccc(cc1O)C(=O)CF 1458a_100000089006_100015361967 [0,2,0,0,0,0|2,0,0]=4 2928 B13R1.3088 CCc1ccc(cc1O)C(=O)NC 240690a_100102657272_100000089006 [0,2,0,0,0,0|2,0,0]=4 2929 B13R1.3088 CCc1ccc(cc1O)C(=O)NC 527a_100102657272_100000089006 [0,2,0,0,0,0|2,0,0]=4 2930 B13R1.3088 CCc1ccc(cc1O)C(=O)OC 271570a_203496583355_200012360130 [0,2,0,0,0,0|1,0,0]=3 2931 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 11a_106832991635_100000187947 [0,2,0,0,0,0|2,0,0]=4 2932 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 1626a_100102657272_100000187947 [0,2,0,0,0,0|2,0,0]=4 2933 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 240690a_100102657272_100000187947 [0,2,0,0,0,0|2,0,0]=4 2934 B13R1.3088 CNC(=O)c1ccc(c(c1)Br)OC 527a_100102657272_100000187947 [0,2,0,0,0,0|2,0,0]=4 2935 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 11a_106832991635_100011202886 [0,2,0,0,0,0|2,0,0]=4 2936 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 1626a_100102657272_100011202886 [0,2,0,0,0,0|2,0,0]=4 2937 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 240690a_100102657272_100011202886 [0,2,0,0,0,0|2,0,0]=4 2938 B13R1.3088 CNC(=O)c1ccc(c(c1)C)OC 527a_100102657272_100011202886 [0,2,0,0,0,0|2,0,0]=4 2939 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 11a_106832991635_100000188346 [0,2,0,0,0,0|2,0,0]=4 2940 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 1626a_100102657272_100000188346 [0,2,0,0,0,0|2,0,0]=4 2941 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 240690a_100102657272_100000188346 [0,2,0,0,0,0|2,0,0]=4 2942 B13R1.3088 CNC(=O)c1ccc(c(c1)Cl)OC 527a_100102657272_100000188346 [0,2,0,0,0,0|2,0,0]=4 2943 B13R1.3088 CNC(=O)c1ccc(c(c1)F)CO 1626a_100102657272_100000687192 [0,2,0,0,0,0|2,0,0]=4 2944 B13R1.3088 CNC(=O)c1ccc(c(c1)F)CO 240690a_100102657272_100000687192 [0,2,0,0,0,0|2,0,0]=4 2945 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 11a_106832991635_100000186160 [0,2,0,0,0,0|2,0,0]=4 2946 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 1626a_100102657272_100000186160 [0,2,0,0,0,0|2,0,0]=4 2947 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 240690a_100102657272_100000186160 [0,2,0,0,0,0|2,0,0]=4 2948 B13R1.3088 CNC(=O)c1ccc(c(c1)F)OC 527a_100102657272_100000186160 [0,2,0,0,0,0|2,0,0]=4 2949 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 11a_106832991635_100000188716 [0,2,0,0,0,0|2,0,0]=4 2950 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 1626a_100102657272_100000188716 [0,2,0,0,0,0|2,0,0]=4 2951 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 240690a_100102657272_100000188716 [0,2,0,0,0,0|2,0,0]=4 2952 B13R1.3088 CNC(=O)c1ccc(c(c1)I)OC 527a_100102657272_100000188716 [0,2,0,0,0,0|2,0,0]=4 2953 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 240690a_100102657272_100000766810 [0,2,0,0,0,0|1,0,0]=3 2954 B13R1.3088 CNC(=O)c1ccc(c(c1)O)OC 527a_100102657272_100000766810 [0,2,0,0,0,0|1,0,0]=3 2955 B13R1.3088 COC(=O)c1cc(c(cn1)OC)O 271570a_203496583355_200010136175 [0,2,0,0,0,0|1,0,0]=3 2956 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 34a_100000216328_200000210301 [0,2,0,0,0,0|1,0,0]=3 2957 B13R1.3088 COC(=O)c1ccc(c(c1)Br)OC 7a_100000216328_200000210301 [0,2,0,0,0,0|1,0,0]=3 2958 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 34a_100000216328_200025704644 [0,2,0,0,0,0|1,0,0]=3 2959 B13R1.3088 COC(=O)c1ccc(c(c1)Br)O[13CH3] 7a_100000216328_200025704644 [0,2,0,0,0,0|1,0,0]=3 2960 B13R1.3088 COC(=O)c1ccc(c(c1)Br)SC 62a_100011294788_200000210301 [0,2,0,0,0,0|1,1,0]=4 2961 B13R1.3088 COC(=O)c1ccc(c(c1)Br)SC 62a_200000210301_100011294788 [0,2,0,0,0,0|1,1,0]=4 2962 B13R1.3088 COC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_100011294788_200025704644 [0,2,0,0,0,0|1,1,0]=4 2963 B13R1.3088 COC(=O)c1ccc(c(c1)Br)S[13CH3] 62a_200025704644_100011294788 [0,2,0,0,0,0|1,1,0]=4 2964 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 34a_100011997373_200000210301 [0,2,0,0,0,0|1,0,0]=3 2965 B13R1.3088 COC(=O)c1ccc(c(c1)C)OC 7a_100011997373_200000210301 [0,2,0,0,0,0|1,0,0]=3 2966 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100011997373_200025704644 [0,2,0,0,0,0|1,0,0]=3 2967 B13R1.3088 COC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100011997373_200025704644 [0,2,0,0,0,0|1,0,0]=3 2968 B13R1.3088 COC(=O)c1ccc(c(c1)C)SC 62a_100011215878_200000210301 [0,2,0,0,0,0|1,1,0]=4 2969 B13R1.3088 COC(=O)c1ccc(c(c1)C)SC 62a_200000210301_100011215878 [0,2,0,0,0,0|1,1,0]=4 2970 B13R1.3088 COC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100011215878_200025704644 [0,2,0,0,0,0|1,1,0]=4 2971 B13R1.3088 COC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100011215878 [0,2,0,0,0,0|1,1,0]=4 2972 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 34a_100000151454_200000210301 [0,2,0,0,0,0|1,0,0]=3 2973 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)OC 7a_100000151454_200000210301 [0,2,0,0,0,0|1,0,0]=3 2974 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 34a_100000151454_200025704644 [0,2,0,0,0,0|1,0,0]=3 2975 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)O[13CH3] 7a_100000151454_200025704644 [0,2,0,0,0,0|1,0,0]=3 2976 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)SC 62a_100012356344_200000210301 [0,2,0,0,0,0|1,1,0]=4 2977 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)SC 62a_200000210301_100012356344 [0,2,0,0,0,0|1,1,0]=4 2978 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)S[13CH3] 62a_100012356344_200025704644 [0,2,0,0,0,0|1,1,0]=4 2979 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)S[13CH3] 62a_200025704644_100012356344 [0,2,0,0,0,0|1,1,0]=4 2980 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 34a_100000075456_200000210301 [0,2,0,0,0,0|1,0,0]=3 2981 B13R1.3088 COC(=O)c1ccc(c(c1)F)OC 7a_100000075456_200000210301 [0,2,0,0,0,0|1,0,0]=3 2982 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 34a_100000075456_200025704644 [0,2,0,0,0,0|1,0,0]=3 2983 B13R1.3088 COC(=O)c1ccc(c(c1)F)O[13CH3] 7a_100000075456_200025704644 [0,2,0,0,0,0|1,0,0]=3 2984 B13R1.3088 COC(=O)c1ccc(c(c1)F)SC 62a_100000703229_200000210301 [0,2,0,0,0,0|1,1,0]=4 2985 B13R1.3088 COC(=O)c1ccc(c(c1)F)SC 62a_200000210301_100000703229 [0,2,0,0,0,0|1,1,0]=4 2986 B13R1.3088 COC(=O)c1ccc(c(c1)F)S[13CH3] 62a_100000703229_200025704644 [0,2,0,0,0,0|1,1,0]=4 2987 B13R1.3088 COC(=O)c1ccc(c(c1)F)S[13CH3] 62a_200025704644_100000703229 [0,2,0,0,0,0|1,1,0]=4 2988 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 34a_100010162523_200000210301 [0,2,0,0,0,0|1,0,0]=3 2989 B13R1.3088 COC(=O)c1ccc(c(c1)I)OC 7a_100010162523_200000210301 [0,2,0,0,0,0|1,0,0]=3 2990 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 34a_100010162523_200025704644 [0,2,0,0,0,0|1,0,0]=3 2991 B13R1.3088 COC(=O)c1ccc(c(c1)I)O[13CH3] 7a_100010162523_200025704644 [0,2,0,0,0,0|1,0,0]=3 2992 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 34a_100000724433_200000210301 [0,2,0,0,0,0|1,0,0]=3 2993 B13R1.3088 COC(=O)c1ccc(c(c1)N)OC 7a_100000724433_200000210301 [0,2,0,0,0,0|1,0,0]=3 2994 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 34a_100000724433_200025704644 [0,2,0,0,0,0|1,0,0]=3 2995 B13R1.3088 COC(=O)c1ccc(c(c1)N)O[13CH3] 7a_100000724433_200025704644 [0,2,0,0,0,0|1,0,0]=3 2996 B13R1.3088 COC(=O)c1ccc(c(c1)N)SC 62a_100011450966_200000210301 [0,2,0,0,0,0|1,1,0]=4 2997 B13R1.3088 COC(=O)c1ccc(c(c1)N)SC 62a_200000210301_100011450966 [0,2,0,0,0,0|1,1,0]=4 2998 B13R1.3088 COC(=O)c1ccc(c(c1)N)S[13CH3] 62a_100011450966_200025704644 [0,2,0,0,0,0|1,1,0]=4 2999 B13R1.3088 COC(=O)c1ccc(c(c1)N)S[13CH3] 62a_200025704644_100011450966 [0,2,0,0,0,0|1,1,0]=4 3000 B13R1.3088 COC(=O)c1ccc(c(c1)O)C#N 271570a_203496583355_100009861381 [0,2,0,0,0,0|1,0,0]=3 3001 B13R1.3088 COC(=O)c1ccc(c(c1)O)C=O 271570a_203496583355_100012179231 [0,2,0,0,0,0|0,0,1]=3 3002 B13R1.3088 COC(=O)c1ccc(c(c1)O)CO 271570a_203496583355_100012355398 [0,2,0,0,0,0|0,0,0]=2 3003 B13R1.3088 COC(=O)c1ccc(c(c1)O)OC 271570a_203496583355_100000189012 [0,2,0,0,0,0|0,0,0]=2 3004 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_100012350776_200000210301 [0,2,0,0,0,0|0,1,0]=3 3005 B13R1.3088 COC(=O)c1ccc(c(c1)O)SC 62a_200000210301_100012350776 [0,2,0,0,0,0|0,1,0]=3 3006 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_100012350776_200025704644 [0,2,0,0,0,0|0,1,0]=3 3007 B13R1.3088 COC(=O)c1ccc(c(c1)O)S[13CH3] 62a_200025704644_100012350776 [0,2,0,0,0,0|0,1,0]=3 3008 B13R1.3088 COC(=O)c1ccc(c(n1)Br)OC 34a_200009815348_200000210301 [0,2,0,0,0,0|2,0,0]=4 3009 B13R1.3088 COC(=O)c1ccc(c(n1)Br)OC 7a_200009815348_200000210301 [0,2,0,0,0,0|2,0,0]=4 3010 B13R1.3088 COC(=O)c1ccc(c(n1)Br)O[13CH3] 34a_200009815348_200025704644 [0,2,0,0,0,0|2,0,0]=4 3011 B13R1.3088 COC(=O)c1ccc(c(n1)Br)O[13CH3] 7a_200009815348_200025704644 [0,2,0,0,0,0|2,0,0]=4 3012 B13R1.3088 COC(=O)c1ccc(c(n1)O)OC 271570a_203496583355_100010205418 [0,2,0,0,0,0|1,0,0]=3 3013 B13R1.3088 COC(=O)c1ccc(c(n1)O)SC 62a_200000210301_100010189637 [0,2,0,0,0,0|1,1,0]=4 3014 B13R1.3088 COC(=O)c1ccc(c(n1)O)S[13CH3] 62a_200025704644_100010189637 [0,2,0,0,0,0|1,1,0]=4 3015 B13R1.3088 COC(=O)c1cnc(c(c1)Br)OC 34a_100015192546_200000210301 [0,2,0,0,0,0|2,0,0]=4 3016 B13R1.3088 COC(=O)c1cnc(c(c1)Br)O[13CH3] 34a_100015192546_200025704644 [0,2,0,0,0,0|2,0,0]=4 3017 B13R1.3088 COC(=O)c1cnc(c(c1)O)OC 271570a_203496583355_100010189640 [0,2,0,0,0,0|1,0,0]=3 3018 B13R1.3088 COC(=O)c1cnc(c(c1)O)SC 62a_100010999399_200000210301 [0,2,0,0,0,0|1,1,0]=4 3019 B13R1.3088 COC(=O)c1cnc(c(c1)O)SC 62a_200000210301_100010999399 [0,2,0,0,0,0|1,1,0]=4 3020 B13R1.3088 COC(=O)c1cnc(c(c1)O)S[13CH3] 62a_100010999399_200025704644 [0,2,0,0,0,0|1,1,0]=4 3021 B13R1.3088 COC(=O)c1cnc(c(c1)O)S[13CH3] 62a_200025704644_100010999399 [0,2,0,0,0,0|1,1,0]=4 3022 B13R1.3088 COc1ccc(cc1Br)C(=O)CF 1458a_100000187947_100015361967 [0,2,0,0,0,0|2,0,0]=4 3023 B13R1.3088 COc1ccc(cc1C)C(=O)CF 1458a_100011202886_100015361967 [0,2,0,0,0,0|2,0,0]=4 3024 B13R1.3088 COc1ccc(cc1Cl)C(=O)CCl 7a_200010170092_200000210301 [0,2,0,0,0,0|2,0,0]=4 3025 B13R1.3088 COc1ccc(cc1Cl)C(=O)CF 1458a_100000188346_100015361967 [0,2,0,0,0,0|2,0,0]=4 3026 B13R1.3088 COc1ccc(cc1F)C(=O)CF 1458a_100000186160_100015361967 [0,2,0,0,0,0|2,0,0]=4 3027 B13R1.3088 COc1ccc(cc1I)C(=O)CF 1458a_100000188716_100015361967 [0,2,0,0,0,0|2,0,0]=4 3028 B13R1.3088 COc1ccc(cc1N)C(=O)NN 34a_200000039609_200000210301 [0,2,0,0,0,0|2,0,0]=4 3029 B13R1.3088 COc1ccc(cc1O)C(=O)CF 1458a_100000766810_100015361967 [0,2,0,0,0,0|1,0,0]=3 3030 B13R1.3088 COc1ccc(cc1O)C(=O)NN 271570a_203496583355_100000186317 [0,2,0,0,0,0|1,0,0]=3 3031 B13R1.3088 O=C(CF)c1ccc(c(c1)F)CO 1458a_100000687192_100015361967 [0,2,0,0,0,0|2,0,0]=4 3032 B13R1.3088 [13CH3]Oc1ccc(cc1Cl)C(=O)CCl 7a_200010170092_200025704644 [0,2,0,0,0,0|2,0,0]=4 3033 B13R1.3088 [13CH3]Oc1ccc(cc1N)C(=O)NN 34a_200000039609_200025704644 [0,2,0,0,0,0|2,0,0]=4 3034 B13R1.3091 C=C(C)c1ccc(c(c1)CO)CO 271570a_100000694244_100000719600 [0,2,0,0,0,0|2,0,0]=4 3035 B13R1.3091 C=C(C)c1ccc(c(c1)CO)OC 271570a_100000694244_100000204679 [0,2,0,0,0,0|2,0,0]=4 3036 B13R1.3091 C=C(C)c1ccc(c(c1)OC)CO 271570a_100000694244_100011277633 [0,2,0,0,0,0|2,0,0]=4 3037 B13R1.3091 C=C(C)c1ccc(c(c1)OC)OC 271570a_100000694244_100000187503 [0,2,0,0,0,0|2,0,0]=4 3038 B13R1.3091 C=Cc1cc(ccc1OC)C(=O)C 271570a_100011290941_100000185153 [0,2,0,0,0,0|2,0,0]=4 3039 B13R1.3091 C=Cc1ccc(cc1OC)C(=O)C 271570a_100011290941_100010110075 [0,2,0,0,0,0|2,0,0]=4 3040 B13R1.3091 C=Cc1ccc(cc1OC)C(=O)N 271570a_100011290941_100009817049 [0,2,0,0,0,0|2,0,0]=4 3041 B13R1.3091 CC(=O)c1ccc(c(c1)CCl)O[13CH3] 34a_100000010293_200025704644 [0,2,0,0,0,0|2,0,0]=4 3042 B13R1.3091 CC(=O)c1ccc(c(c1)CCl)O[13CH3] 7a_100000010293_200025704644 [0,2,0,0,0,0|2,0,0]=4 3043 B13R1.3091 CC(=O)c1ccc(c(c1)CO)O[13CH3] 7a_100000025453_200025704644 [0,2,0,0,0,0|1,0,0]=3 3044 B13R1.3091 CNc1cc(ccc1OC)C(=O)N 34a_100000740584_200000210301 [0,2,0,0,0,0|2,0,0]=4 3045 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 27a_100102657272_100009817049 [0,2,0,0,0,0|2,0,0]=4 3046 B13R1.3091 CNc1ccc(cc1OC)C(=O)N 34a_100011850419_200000210301 [0,2,0,0,0,0|2,0,0]=4 3047 B13R1.3091 COc1cc(ccc1C#N)C(=O)C 1458a_100009879710_200000210301 [0,2,0,0,0,0|2,0,0]=4 3048 B13R1.3091 COc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100009879710_200025704644 [0,2,0,0,0,0|2,0,0]=4 3049 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] 34a_100000089567_200000210301 [0,2,0,0,0,0|1,0,1]=4 3050 B13R1.3091 COc1cc(ccc1CO)[N+](=O)[O-] 7a_100000089567_200000210301 [0,2,0,0,0,0|1,0,1]=4 3051 B13R1.3091 COc1cc(ccc1N[13CH3])C(=O)N 34a_100011850419_200025704644 [0,2,0,0,0,0|2,0,0]=4 3052 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 34a_100000186468_200025704644 [0,2,0,0,0,0|1,0,0]=3 3053 B13R1.3091 COc1cc(ccc1O[13CH3])C(=O)C 7a_100000186468_200025704644 [0,2,0,0,0,0|1,0,0]=3 3054 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 34a_100000246512_200025704644 [0,2,0,0,0,0|1,0,1]=4 3055 B13R1.3091 COc1cc(ccc1O[13CH3])C(C)O 7a_100000246512_200025704644 [0,2,0,0,0,0|1,0,1]=4 3056 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000742293_200025704644 [0,2,0,0,0,0|1,0,1]=4 3057 B13R1.3091 COc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000742293_200025704644 [0,2,0,0,0,0|1,0,1]=4 3058 B13R1.3091 COc1cc(ccc1SC)C(=O)C 62a_100010110075_200000210301 [0,2,0,0,0,0|1,1,0]=4 3059 B13R1.3091 COc1cc(ccc1SC)C(=O)N 62a_100009817049_200000210301 [0,2,0,0,0,0|1,1,0]=4 3060 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)C 62a_100010110075_200025704644 [0,2,0,0,0,0|1,1,0]=4 3061 B13R1.3091 COc1cc(ccc1S[13CH3])C(=O)N 62a_100009817049_200025704644 [0,2,0,0,0,0|1,1,0]=4 3062 B13R1.3091 COc1ccc(cc1C#N)C(=O)C 1458a_100011999887_200000210301 [0,2,0,0,0,0|2,0,0]=4 3063 B13R1.3091 COc1ccc(cc1C#N)C(=O)[13CH3] 1458a_100011999887_200025704644 [0,2,0,0,0,0|2,0,0]=4 3064 B13R1.3091 COc1ccc(cc1CCl)C(=O)C 34a_100000010293_200000210301 [0,2,0,0,0,0|2,0,0]=4 3065 B13R1.3091 COc1ccc(cc1CCl)C(=O)C 7a_100000010293_200000210301 [0,2,0,0,0,0|2,0,0]=4 3066 B13R1.3091 COc1ccc(cc1CO)C(=O)C 7a_100000025453_200000210301 [0,2,0,0,0,0|1,0,0]=3 3067 B13R1.3091 COc1ccc(cc1CO)[N+](=O)[O-] 34a_100011215696_200000210301 [0,2,0,0,0,0|1,0,1]=4 3068 B13R1.3091 COc1ccc(cc1CO)[N+](=O)[O-] 7a_100011215696_200000210301 [0,2,0,0,0,0|1,0,1]=4 3069 B13R1.3091 COc1ccc(cc1N[13CH3])C(=O)N 34a_100000740584_200025704644 [0,2,0,0,0,0|2,0,0]=4 3070 B13R1.3091 COc1ccc(cc1OC)C(=O)C 1458a_100000211223_200000210301 [0,2,0,0,0,0|1,0,0]=3 3071 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000186468_200000210301 [0,2,0,0,0,0|1,0,0]=3 3072 B13R1.3091 COc1ccc(cc1OC)C(=O)C 34a_100000732934_200000210301 [0,2,0,0,0,0|1,0,0]=3 3073 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000186468_200000210301 [0,2,0,0,0,0|1,0,0]=3 3074 B13R1.3091 COc1ccc(cc1OC)C(=O)C 7a_100000732934_200000210301 [0,2,0,0,0,0|1,0,0]=3 3075 B13R1.3091 COc1ccc(cc1OC)C(=O)[13CH3] 1458a_100000211223_200025704644 [0,2,0,0,0,0|1,0,0]=3 3076 B13R1.3091 COc1ccc(cc1OC)C(C)O 34a_100000246512_200000210301 [0,2,0,0,0,0|1,0,1]=4 3077 B13R1.3091 COc1ccc(cc1OC)C(C)O 7a_100000246512_200000210301 [0,2,0,0,0,0|1,0,1]=4 3078 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000211812_200000210301 [0,2,0,0,0,0|1,0,1]=4 3079 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 34a_100000742293_200000210301 [0,2,0,0,0,0|1,0,1]=4 3080 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000211812_200000210301 [0,2,0,0,0,0|1,0,1]=4 3081 B13R1.3091 COc1ccc(cc1OC)[N+](=O)[O-] 7a_100000742293_200000210301 [0,2,0,0,0,0|1,0,1]=4 3082 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 34a_100000732934_200025704644 [0,2,0,0,0,0|1,0,0]=3 3083 B13R1.3091 COc1ccc(cc1O[13CH3])C(=O)C 7a_100000732934_200025704644 [0,2,0,0,0,0|1,0,0]=3 3084 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000211812_200025704644 [0,2,0,0,0,0|1,0,1]=4 3085 B13R1.3091 COc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000211812_200025704644 [0,2,0,0,0,0|1,0,1]=4 3086 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_100000185153_200000210301 [0,2,0,0,0,0|1,1,0]=4 3087 B13R1.3091 COc1ccc(cc1SC)C(=O)C 62a_200000210301_100000039561 [0,2,0,0,0,0|1,1,0]=4 3088 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_100000185153_200025704644 [0,2,0,0,0,0|1,1,0]=4 3089 B13R1.3091 COc1ccc(cc1S[13CH3])C(=O)C 62a_200025704644_100000039561 [0,2,0,0,0,0|1,1,0]=4 3090 B13R1.3091 [13CH3]Oc1cc(ccc1CO)[N+](=O)[O-] 34a_100000089567_200025704644 [0,2,0,0,0,0|1,0,1]=4 3091 B13R1.3091 [13CH3]Oc1cc(ccc1CO)[N+](=O)[O-] 7a_100000089567_200025704644 [0,2,0,0,0,0|1,0,1]=4 3092 B13R1.3091 [13CH3]Oc1ccc(cc1CO)[N+](=O)[O-] 34a_100011215696_200025704644 [0,2,0,0,0,0|1,0,1]=4 3093 B13R1.3091 [13CH3]Oc1ccc(cc1CO)[N+](=O)[O-] 7a_100011215696_200025704644 [0,2,0,0,0,0|1,0,1]=4 3094 B13R1.3096 COc1ccc(c(c1C)C)C(=O)C 1458a_200000082569_200000210301 [0,2,0,0,0,0|2,0,0]=4 3095 B13R1.3096 COc1ccc(c(c1C)C)C(=O)[13CH3] 1458a_200000082569_200025704644 [0,2,0,0,0,0|2,0,0]=4 3096 B13R1.3096 COc1ccc(c(c1F)F)C(=O)C 1458a_100000061877_200000210301 [0,2,0,0,0,0|2,0,0]=4 3097 B13R1.3096 COc1ccc(c(c1F)F)C(=O)[13CH3] 1458a_100000061877_200025704644 [0,2,0,0,0,0|2,0,0]=4 3098 B13R1.3096 COc1ccc(c(c1O)N)C(=O)C 271570a_203496583355_100010236346 [0,2,0,0,0,0|1,0,0]=3 3099 B13R1.3096 COc1ccc(c(c1O)O)C(=O)C 1458a_100000045701_200000210301 [0,2,0,0,0,0|1,0,0]=3 3100 B13R1.3096 COc1ccc(c(c1O)O)C(=O)[13CH3] 1458a_100000045701_200025704644 [0,2,0,0,0,0|1,0,0]=3 3101 B13R1.3380 C=Cc1c(cc(cc1O)C(=O)N)O 271570a_100011290941_200009814324 [0,2,0,0,0,0|2,0,0]=4 3102 B13R1.3380 CC(=O)c1cc(c(c(c1)Br)O[13CH3])Br 7a_100000186470_200025704644 [0,2,0,0,0,0|2,0,0]=4 3103 B13R1.3380 CC(=O)c1cc(c(c(c1)C)O[13CH3])C 34a_100011934020_200025704644 [0,2,0,0,0,0|2,0,0]=4 3104 B13R1.3380 CC(=O)c1cc(c(c(c1)C)O[13CH3])C 7a_100011934020_200025704644 [0,2,0,0,0,0|2,0,0]=4 3105 B13R1.3380 CC(=O)c1cc(c(c(c1)Cl)O[13CH3])Cl 34a_100012337704_200025704644 [0,2,0,0,0,0|2,0,0]=4 3106 B13R1.3380 CC(=O)c1cc(c(c(c1)Cl)O[13CH3])Cl 7a_100012337704_200025704644 [0,2,0,0,0,0|2,0,0]=4 3107 B13R1.3380 CC(=O)c1cc(c(c(c1)F)CO)F 1458a_200009844098_200000210301 [0,2,0,0,0,0|2,0,0]=4 3108 B13R1.3380 COc1c(cc(cc1Br)C(=O)C)Br 1458a_100012337705_200000210301 [0,2,0,0,0,0|2,0,0]=4 3109 B13R1.3380 COc1c(cc(cc1Br)C(=O)C)Br 7a_100000186470_200000210301 [0,2,0,0,0,0|2,0,0]=4 3110 B13R1.3380 COc1c(cc(cc1Br)C(=O)C)O 1458a_100010760816_200000210301 [0,2,0,0,0,0|1,0,0]=3 3111 B13R1.3380 COc1c(cc(cc1Br)C(=O)[13CH3])Br 1458a_100012337705_200025704644 [0,2,0,0,0,0|2,0,0]=4 3112 B13R1.3380 COc1c(cc(cc1Br)C(=O)[13CH3])O 1458a_100010760816_200025704644 [0,2,0,0,0,0|1,0,0]=3 3113 B13R1.3380 COc1c(cc(cc1C)C(=O)C)C 1458a_100000696790_200000210301 [0,2,0,0,0,0|2,0,0]=4 3114 B13R1.3380 COc1c(cc(cc1C)C(=O)C)C 34a_100011934020_200000210301 [0,2,0,0,0,0|2,0,0]=4 3115 B13R1.3380 COc1c(cc(cc1C)C(=O)C)C 7a_100011934020_200000210301 [0,2,0,0,0,0|2,0,0]=4 3116 B13R1.3380 COc1c(cc(cc1C)C(=O)[13CH3])C 1458a_100000696790_200025704644 [0,2,0,0,0,0|2,0,0]=4 3117 B13R1.3380 COc1c(cc(cc1Cl)C(=O)C)Cl 1458a_100000013545_200000210301 [0,2,0,0,0,0|2,0,0]=4 3118 B13R1.3380 COc1c(cc(cc1Cl)C(=O)C)Cl 34a_100012337704_200000210301 [0,2,0,0,0,0|2,0,0]=4 3119 B13R1.3380 COc1c(cc(cc1Cl)C(=O)C)Cl 7a_100012337704_200000210301 [0,2,0,0,0,0|2,0,0]=4 3120 B13R1.3380 COc1c(cc(cc1Cl)C(=O)C)F 1458a_100011356498_200000210301 [0,2,0,0,0,0|2,0,0]=4 3121 B13R1.3380 COc1c(cc(cc1Cl)C(=O)[13CH3])Cl 1458a_100000013545_200025704644 [0,2,0,0,0,0|2,0,0]=4 3122 B13R1.3380 COc1c(cc(cc1Cl)C(=O)[13CH3])F 1458a_100011356498_200025704644 [0,2,0,0,0,0|2,0,0]=4 3123 B13R1.3380 COc1c(cc(cc1F)C(=O)C)F 1458a_100011216840_200000210301 [0,2,0,0,0,0|2,0,0]=4 3124 B13R1.3380 COc1c(cc(cc1F)C(=O)[13CH3])F 1458a_100011216840_200025704644 [0,2,0,0,0,0|2,0,0]=4 3125 B13R1.3380 COc1c(cc(cc1I)C(=O)C)F 1458a_100012920440_200000210301 [0,2,0,0,0,0|2,0,0]=4 3126 B13R1.3380 COc1c(cc(cc1I)C(=O)[13CH3])F 1458a_100012920440_200025704644 [0,2,0,0,0,0|2,0,0]=4 3127 B13R1.3380 COc1c(cc(cc1O)C(=O)C)O 1458a_100000073573_200000210301 [0,2,0,0,0,0|1,0,0]=3 3128 B13R1.3380 COc1c(cc(cc1O)C(=O)[13CH3])O 1458a_100000073573_200025704644 [0,2,0,0,0,0|1,0,0]=3 3129 B13R1.3380 CSc1c(cc(cc1O)C(=O)N)O 62a_200000210301_200009814324 [0,2,0,0,0,0|1,1,0]=4 3130 B13R1.3380 CSc1c(cc(cc1O)C(=O)N)O 62a_200009814324_200000210301 [0,2,0,0,0,0|1,1,0]=4 3131 B13R1.3380 [13CH3]C(=O)c1cc(c(c(c1)F)CO)F 1458a_200009844098_200025704644 [0,2,0,0,0,0|2,0,0]=4 3132 B13R1.3380 [13CH3]Sc1c(cc(cc1O)C(=O)N)O 62a_200009814324_200025704644 [0,2,0,0,0,0|1,1,0]=4 3133 B13R1.3380 [13CH3]Sc1c(cc(cc1O)C(=O)N)O 62a_200025704644_200009814324 [0,2,0,0,0,0|1,1,0]=4 3134 B13R1.13 C=C(C)c1cc(ccc1O)C(=O)C 271570a_100000694244_100011772453 [0,2,0,0,0,0|2,0,0]=4 3135 B13R1.13 C=C(C)c1ccc(c(c1)B(O)O)O 271570a_100000694244_200009814749 [0,2,0,0,0,0|2,0,0]=4 3136 B13R1.13 CC(=O)c1ccc(c(c1)[N+](=O)[O-])O 1458a_100000744589_200000210301 [0,2,0,0,0,0|1,0,1]=4 3137 B13R1.13 [13CH3]C(=O)c1ccc(c(c1)[N+](=O)[O-])O 1458a_100000744589_200025704644 [0,2,0,0,0,0|1,0,1]=4 3138 B13R1.49 C=Cc1cc(ccc1Br)C(=O)OC 271570a_100011290941_100012349818 [0,2,0,0,0,0|2,0,0]=4 3139 B13R1.49 C=Cc1cc(ccc1C)C(=O)OC 271570a_100011290941_100011218856 [0,2,0,0,0,0|2,0,0]=4 3140 B13R1.49 C=Cc1cc(ccc1Cl)C(=O)OC 271570a_100011290941_100011294800 [0,2,0,0,0,0|2,0,0]=4 3141 B13R1.49 C=Cc1cc(ccc1F)C(=O)OC 271570a_100011290941_100000722584 [0,2,0,0,0,0|2,0,0]=4 3142 B13R1.49 C=Cc1cc(ccc1N)C(=O)OC 271570a_100011290941_100000187552 [0,2,0,0,0,0|2,0,0]=4 3143 B13R1.49 C=Cc1cc(ccc1O)C(=O)OC 271570a_100011290941_100000216328 [0,2,0,0,0,0|1,0,0]=3 3144 B13R1.49 C=Cc1cc(cnc1O)C(=O)OC 271570a_100011290941_100010109663 [0,2,0,0,0,0|2,0,0]=4 3145 B13R1.49 C=Cc1nc(ccc1O)C(=O)OC 271570a_100011290941_200009815348 [0,2,0,0,0,0|2,0,0]=4 3146 B13R1.49 CCC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_100000210202 [0,2,0,0,0,0|2,0,0]=4 3147 B13R1.49 CCC(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_100000210202 [0,2,0,0,0,0|2,0,0]=4 3148 B13R1.49 CCC(=O)c1ccc(c(c1)CO)F 1458a_100011803322_100000210202 [0,2,0,0,0,0|2,0,0]=4 3149 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Br 1458a_100011934951_100000210202 [0,2,0,0,0,0|2,0,0]=4 3150 B13R1.49 CCC(=O)c1ccc(c(c1)OC)C 1458a_100000212341_100000210202 [0,2,0,0,0,0|2,0,0]=4 3151 B13R1.49 CCC(=O)c1ccc(c(c1)OC)Cl 1458a_100000181799_100000210202 [0,2,0,0,0,0|2,0,0]=4 3152 B13R1.49 CCC(=O)c1ccc(c(c1)OC)F 1458a_100000757635_100000210202 [0,2,0,0,0,0|2,0,0]=4 3153 B13R1.49 CCC(=O)c1ccc(c(c1)OC)I 1458a_100012356290_100000210202 [0,2,0,0,0,0|2,0,0]=4 3154 B13R1.49 CCC(=O)c1ccc(c(c1)OC)O 1458a_100000687070_100000210202 [0,2,0,0,0,0|1,0,0]=3 3155 B13R1.49 CNC(=O)c1ccc(c(c1)CO)Br 1626a_100102657272_100010218026 [0,2,0,0,0,0|2,0,0]=4 3156 B13R1.49 CNC(=O)c1ccc(c(c1)CO)Br 240690a_100102657272_100010218026 [0,2,0,0,0,0|2,0,0]=4 3157 B13R1.49 CNC(=O)c1ccc(c(c1)CO)F 1626a_100102657272_100011803322 [0,2,0,0,0,0|2,0,0]=4 3158 B13R1.49 CNC(=O)c1ccc(c(c1)CO)F 240690a_100102657272_100011803322 [0,2,0,0,0,0|2,0,0]=4 3159 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 11a_106832991635_100011934951 [0,2,0,0,0,0|2,0,0]=4 3160 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 1626a_100102657272_100011934951 [0,2,0,0,0,0|2,0,0]=4 3161 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 240690a_100102657272_100011934951 [0,2,0,0,0,0|2,0,0]=4 3162 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Br 527a_100102657272_100011934951 [0,2,0,0,0,0|2,0,0]=4 3163 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 11a_106832991635_100000212341 [0,2,0,0,0,0|2,0,0]=4 3164 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 1626a_100102657272_100000212341 [0,2,0,0,0,0|2,0,0]=4 3165 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 240690a_100102657272_100000212341 [0,2,0,0,0,0|2,0,0]=4 3166 B13R1.49 CNC(=O)c1ccc(c(c1)OC)C 527a_100102657272_100000212341 [0,2,0,0,0,0|2,0,0]=4 3167 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 11a_106832991635_100000181799 [0,2,0,0,0,0|2,0,0]=4 3168 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 1626a_100102657272_100000181799 [0,2,0,0,0,0|2,0,0]=4 3169 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 240690a_100102657272_100000181799 [0,2,0,0,0,0|2,0,0]=4 3170 B13R1.49 CNC(=O)c1ccc(c(c1)OC)Cl 527a_100102657272_100000181799 [0,2,0,0,0,0|2,0,0]=4 3171 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 11a_106832991635_100000757635 [0,2,0,0,0,0|2,0,0]=4 3172 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 1626a_100102657272_100000757635 [0,2,0,0,0,0|2,0,0]=4 3173 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 240690a_100102657272_100000757635 [0,2,0,0,0,0|2,0,0]=4 3174 B13R1.49 CNC(=O)c1ccc(c(c1)OC)F 527a_100102657272_100000757635 [0,2,0,0,0,0|2,0,0]=4 3175 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 11a_106832991635_100012356290 [0,2,0,0,0,0|2,0,0]=4 3176 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 1626a_100102657272_100012356290 [0,2,0,0,0,0|2,0,0]=4 3177 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 240690a_100102657272_100012356290 [0,2,0,0,0,0|2,0,0]=4 3178 B13R1.49 CNC(=O)c1ccc(c(c1)OC)I 527a_100102657272_100012356290 [0,2,0,0,0,0|2,0,0]=4 3179 B13R1.49 CNC(=O)c1ccc(c(c1)OC)O 240690a_100102657272_100000687070 [0,2,0,0,0,0|1,0,0]=3 3180 B13R1.49 COC(=O)c1cc(c(cn1)O)OC 271570a_203496583355_100010136178 [0,2,0,0,0,0|1,0,0]=3 3181 B13R1.49 COC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010150795 [0,2,0,0,0,0|1,0,0]=3 3182 B13R1.49 COC(=O)c1ccc(c(c1)C=O)O 271570a_203496583355_100012274322 [0,2,0,0,0,0|0,0,1]=3 3183 B13R1.49 COC(=O)c1ccc(c(c1)CO)O 271570a_203496583355_100010201863 [0,2,0,0,0,0|0,0,0]=2 3184 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 34a_100011934688_200000210301 [0,2,0,0,0,0|1,0,0]=3 3185 B13R1.49 COC(=O)c1ccc(c(c1)OC)Br 7a_100011934688_200000210301 [0,2,0,0,0,0|1,0,0]=3 3186 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 34a_100000736511_200000210301 [0,2,0,0,0,0|1,0,0]=3 3187 B13R1.49 COC(=O)c1ccc(c(c1)OC)C 7a_100000736511_200000210301 [0,2,0,0,0,0|1,0,0]=3 3188 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 34a_100000103815_200000210301 [0,2,0,0,0,0|1,0,0]=3 3189 B13R1.49 COC(=O)c1ccc(c(c1)OC)Cl 7a_100000103815_200000210301 [0,2,0,0,0,0|1,0,0]=3 3190 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 34a_100000062259_200000210301 [0,2,0,0,0,0|1,0,0]=3 3191 B13R1.49 COC(=O)c1ccc(c(c1)OC)F 7a_100000062259_200000210301 [0,2,0,0,0,0|1,0,0]=3 3192 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 34a_100012350776_200000210301 [0,2,0,0,0,0|1,0,0]=3 3193 B13R1.49 COC(=O)c1ccc(c(c1)OC)I 7a_100012350776_200000210301 [0,2,0,0,0,0|1,0,0]=3 3194 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 34a_100000757247_200000210301 [0,2,0,0,0,0|1,0,0]=3 3195 B13R1.49 COC(=O)c1ccc(c(c1)OC)N 7a_100000757247_200000210301 [0,2,0,0,0,0|1,0,0]=3 3196 B13R1.49 COC(=O)c1ccc(c(c1)OC)O 271570a_203496583355_100009816954 [0,2,0,0,0,0|0,0,0]=2 3197 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 34a_100011934688_200025704644 [0,2,0,0,0,0|1,0,0]=3 3198 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Br 7a_100011934688_200025704644 [0,2,0,0,0,0|1,0,0]=3 3199 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000736511_200025704644 [0,2,0,0,0,0|1,0,0]=3 3200 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000736511_200025704644 [0,2,0,0,0,0|1,0,0]=3 3201 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 34a_100000103815_200025704644 [0,2,0,0,0,0|1,0,0]=3 3202 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])Cl 7a_100000103815_200025704644 [0,2,0,0,0,0|1,0,0]=3 3203 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000062259_200025704644 [0,2,0,0,0,0|1,0,0]=3 3204 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000062259_200025704644 [0,2,0,0,0,0|1,0,0]=3 3205 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 34a_100012350776_200025704644 [0,2,0,0,0,0|1,0,0]=3 3206 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])I 7a_100012350776_200025704644 [0,2,0,0,0,0|1,0,0]=3 3207 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 34a_100000757247_200025704644 [0,2,0,0,0,0|1,0,0]=3 3208 B13R1.49 COC(=O)c1ccc(c(c1)O[13CH3])N 7a_100000757247_200025704644 [0,2,0,0,0,0|1,0,0]=3 3209 B13R1.49 COC(=O)c1ccc(c(c1)SC)Br 62a_100012349818_200000210301 [0,2,0,0,0,0|1,1,0]=4 3210 B13R1.49 COC(=O)c1ccc(c(c1)SC)Br 62a_200000210301_100012349818 [0,2,0,0,0,0|1,1,0]=4 3211 B13R1.49 COC(=O)c1ccc(c(c1)SC)C 62a_100000723194_200000210301 [0,2,0,0,0,0|1,1,0]=4 3212 B13R1.49 COC(=O)c1ccc(c(c1)SC)C 62a_200000210301_100000723194 [0,2,0,0,0,0|1,1,0]=4 3213 B13R1.49 COC(=O)c1ccc(c(c1)SC)Cl 62a_100011294800_200000210301 [0,2,0,0,0,0|1,1,0]=4 3214 B13R1.49 COC(=O)c1ccc(c(c1)SC)Cl 62a_200000210301_100011294800 [0,2,0,0,0,0|1,1,0]=4 3215 B13R1.49 COC(=O)c1ccc(c(c1)SC)F 62a_100000722584_200000210301 [0,2,0,0,0,0|1,1,0]=4 3216 B13R1.49 COC(=O)c1ccc(c(c1)SC)F 62a_200000210301_100000722584 [0,2,0,0,0,0|1,1,0]=4 3217 B13R1.49 COC(=O)c1ccc(c(c1)SC)N 62a_100000187552_200000210301 [0,2,0,0,0,0|1,1,0]=4 3218 B13R1.49 COC(=O)c1ccc(c(c1)SC)N 62a_200000210301_100000187552 [0,2,0,0,0,0|1,1,0]=4 3219 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_100000216328_200000210301 [0,2,0,0,0,0|0,1,0]=3 3220 B13R1.49 COC(=O)c1ccc(c(c1)SC)O 62a_200000210301_100000216328 [0,2,0,0,0,0|0,1,0]=3 3221 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100012349818_200025704644 [0,2,0,0,0,0|1,1,0]=4 3222 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100012349818 [0,2,0,0,0,0|1,1,0]=4 3223 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])C 62a_100000723194_200025704644 [0,2,0,0,0,0|1,1,0]=4 3224 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100000723194 [0,2,0,0,0,0|1,1,0]=4 3225 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Cl 62a_100011294800_200025704644 [0,2,0,0,0,0|1,1,0]=4 3226 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100011294800 [0,2,0,0,0,0|1,1,0]=4 3227 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000722584_200025704644 [0,2,0,0,0,0|1,1,0]=4 3228 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000722584 [0,2,0,0,0,0|1,1,0]=4 3229 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])N 62a_100000187552_200025704644 [0,2,0,0,0,0|1,1,0]=4 3230 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])N 62a_200025704644_100000187552 [0,2,0,0,0,0|1,1,0]=4 3231 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_100000216328_200025704644 [0,2,0,0,0,0|0,1,0]=3 3232 B13R1.49 COC(=O)c1ccc(c(c1)S[13CH3])O 62a_200025704644_100000216328 [0,2,0,0,0,0|0,1,0]=3 3233 B13R1.49 COC(=O)c1ccc(c(n1)C#N)O 271570a_203496583355_100010187627 [0,2,0,0,0,0|2,0,0]=4 3234 B13R1.49 COC(=O)c1ccc(c(n1)OC)O 271570a_203496583355_100010189641 [0,2,0,0,0,0|1,0,0]=3 3235 B13R1.49 COC(=O)c1ccc(c(n1)SC)O 62a_200000210301_200009815348 [0,2,0,0,0,0|1,1,0]=4 3236 B13R1.49 COC(=O)c1ccc(c(n1)SC)O 62a_200009815348_200000210301 [0,2,0,0,0,0|1,1,0]=4 3237 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])O 62a_200009815348_200025704644 [0,2,0,0,0,0|1,1,0]=4 3238 B13R1.49 COC(=O)c1ccc(c(n1)S[13CH3])O 62a_200025704644_200009815348 [0,2,0,0,0,0|1,1,0]=4 3239 B13R1.49 COC(=O)c1cnc(c(c1)OC)Cl 34a_100009840551_200000210301 [0,2,0,0,0,0|2,0,0]=4 3240 B13R1.49 COC(=O)c1cnc(c(c1)OC)Cl 7a_100009840551_200000210301 [0,2,0,0,0,0|2,0,0]=4 3241 B13R1.49 COC(=O)c1cnc(c(c1)OC)I 34a_100010999399_200000210301 [0,2,0,0,0,0|2,0,0]=4 3242 B13R1.49 COC(=O)c1cnc(c(c1)OC)I 7a_100010999399_200000210301 [0,2,0,0,0,0|2,0,0]=4 3243 B13R1.49 COC(=O)c1cnc(c(c1)OC)N 34a_100009857207_200000210301 [0,2,0,0,0,0|2,0,0]=4 3244 B13R1.49 COC(=O)c1cnc(c(c1)OC)N 7a_100009857207_200000210301 [0,2,0,0,0,0|2,0,0]=4 3245 B13R1.49 COC(=O)c1cnc(c(c1)OC)O 271570a_203496583355_100010074909 [0,2,0,0,0,0|1,0,0]=3 3246 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])Cl 34a_100009840551_200025704644 [0,2,0,0,0,0|2,0,0]=4 3247 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])Cl 7a_100009840551_200025704644 [0,2,0,0,0,0|2,0,0]=4 3248 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])I 34a_100010999399_200025704644 [0,2,0,0,0,0|2,0,0]=4 3249 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])I 7a_100010999399_200025704644 [0,2,0,0,0,0|2,0,0]=4 3250 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])N 34a_100009857207_200025704644 [0,2,0,0,0,0|2,0,0]=4 3251 B13R1.49 COC(=O)c1cnc(c(c1)O[13CH3])N 7a_100009857207_200025704644 [0,2,0,0,0,0|2,0,0]=4 3252 B13R1.49 COC(=O)c1cnc(c(c1)SC)O 62a_100010109663_200000210301 [0,2,0,0,0,0|1,1,0]=4 3253 B13R1.49 COC(=O)c1cnc(c(c1)SC)O 62a_200000210301_100010109663 [0,2,0,0,0,0|1,1,0]=4 3254 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])O 62a_100010109663_200025704644 [0,2,0,0,0,0|1,1,0]=4 3255 B13R1.49 COC(=O)c1cnc(c(c1)S[13CH3])O 62a_200025704644_100010109663 [0,2,0,0,0,0|1,1,0]=4 3256 B13R1.49 COc1cc(ccc1Br)C(=O)CF 1458a_100011934951_100015361967 [0,2,0,0,0,0|2,0,0]=4 3257 B13R1.49 COc1cc(ccc1C)C(=O)CF 1458a_100000212341_100015361967 [0,2,0,0,0,0|2,0,0]=4 3258 B13R1.49 COc1cc(ccc1Cl)C(=O)CF 1458a_100000181799_100015361967 [0,2,0,0,0,0|2,0,0]=4 3259 B13R1.49 COc1cc(ccc1F)C(=O)CF 1458a_100000757635_100015361967 [0,2,0,0,0,0|2,0,0]=4 3260 B13R1.49 COc1cc(ccc1I)C(=O)CF 1458a_100012356290_100015361967 [0,2,0,0,0,0|2,0,0]=4 3261 B13R1.49 COc1cc(ccc1N)C(=O)NN 34a_200000073589_200000210301 [0,2,0,0,0,0|2,0,0]=4 3262 B13R1.49 COc1cc(ccc1O)C(=O)CF 1458a_100000687070_100015361967 [0,2,0,0,0,0|1,0,0]=3 3263 B13R1.49 N#Cc1cc(ccc1O)C(=O)CF 1458a_100009875055_100015361967 [0,2,0,0,0,0|2,0,0]=4 3264 B13R1.49 O=C(CF)c1ccc(c(c1)CO)Br 1458a_100010218026_100015361967 [0,2,0,0,0,0|2,0,0]=4 3265 B13R1.49 O=C(CF)c1ccc(c(c1)CO)F 1458a_100011803322_100015361967 [0,2,0,0,0,0|2,0,0]=4 3266 B13R1.49 [13CH3]Oc1cc(ccc1N)C(=O)NN 34a_200000073589_200025704644 [0,2,0,0,0,0|2,0,0]=4 3267 B13R1.298 COc1cc(cc(c1Cl)Br)C(=O)C 1458a_100020639751_200000210301 [0,2,0,0,0,0|2,0,0]=4 3268 B13R1.298 COc1cc(cc(c1Cl)Br)C(=O)[13CH3] 1458a_100020639751_200025704644 [0,2,0,0,0,0|2,0,0]=4 3269 B13R1.298 COc1cc(cc(c1F)F)C(=O)C 1458a_100000081826_200000210301 [0,2,0,0,0,0|2,0,0]=4 3270 B13R1.298 COc1cc(cc(c1F)F)C(=O)[13CH3] 1458a_100000081826_200025704644 [0,2,0,0,0,0|2,0,0]=4 3271 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)C 1458a_100000209947_200000210301 [0,2,0,0,0,0|1,0,0]=3 3272 B13R1.298 COc1cc(cc(c1O)Cl)C(=O)[13CH3] 1458a_100000209947_200025704644 [0,2,0,0,0,0|1,0,0]=3 3273 B13R1.298 COc1cc(cc(c1O)O)C(=O)C 1458a_100000061230_200000210301 [0,2,0,0,0,0|1,0,0]=3 3274 B13R1.298 COc1cc(cc(c1O)O)C(=O)[13CH3] 1458a_100000061230_200025704644 [0,2,0,0,0,0|1,0,0]=3 3275 B13R1.354 C=C=Cc1cc(ccc1O)C(=O)C 271570a_100015277604_100011772453 [0,2,0,0,0,0|2,0,0]=4 3276 B13R1.354 CC(=O)c1ccc(c(c1)CS[13CH3])O 62a_100000010293_200025704644 [0,2,0,0,0,0|1,1,0]=4 3277 B13R1.354 CC(=O)c1ccc(c(c1)OCF)C 34a_100000084092_100015361967 [0,2,0,0,0,0|2,0,0]=4 3278 B13R1.354 CC(=O)c1ccc(c(c1)OCF)C 7a_100000084092_100015361967 [0,2,0,0,0,0|2,0,0]=4 3279 B13R1.354 CC(=O)c1ccc(c(c1)OCF)F 34a_100000117923_100015361967 [0,2,0,0,0,0|2,0,0]=4 3280 B13R1.354 CC(=O)c1ccc(c(c1)OCF)F 7a_100000117923_100015361967 [0,2,0,0,0,0|2,0,0]=4 3281 B13R1.354 CC(=O)c1ccc(c(c1)SCF)O 62a_100011772453_100015361967 [0,2,0,0,0,0|1,1,0]=4 3282 B13R1.354 CC=Cc1cc(ccc1O)C(=O)C 271570a_100016259895_100011772453 [0,2,0,0,0,0|2,0,0]=4 3283 B13R1.354 CCOc1cc(ccc1Br)C(=O)N 34a_100012344895_100000210202 [0,2,0,0,0,0|2,0,0]=4 3284 B13R1.354 CCOc1cc(ccc1Br)C(=O)N 7a_100012344895_100000210202 [0,2,0,0,0,0|2,0,0]=4 3285 B13R1.354 CCOc1cc(ccc1C)C(=O)C 1458a_100000238212_200000210301 [0,2,0,0,0,0|2,0,0]=4 3286 B13R1.354 CCOc1cc(ccc1C)C(=O)C 34a_100000084092_100000210202 [0,2,0,0,0,0|2,0,0]=4 3287 B13R1.354 CCOc1cc(ccc1C)C(=O)C 7a_100000084092_100000210202 [0,2,0,0,0,0|2,0,0]=4 3288 B13R1.354 CCOc1cc(ccc1C)C(=O)[13CH3] 1458a_100000238212_200025704644 [0,2,0,0,0,0|2,0,0]=4 3289 B13R1.354 CCOc1cc(ccc1Cl)C(=O)C 1458a_200010207389_200000210301 [0,2,0,0,0,0|2,0,0]=4 3290 B13R1.354 CCOc1cc(ccc1Cl)C(=O)[13CH3] 1458a_200010207389_200025704644 [0,2,0,0,0,0|2,0,0]=4 3291 B13R1.354 CCOc1cc(ccc1F)C(=O)C 34a_100000117923_100000210202 [0,2,0,0,0,0|2,0,0]=4 3292 B13R1.354 CCOc1cc(ccc1F)C(=O)C 7a_100000117923_100000210202 [0,2,0,0,0,0|2,0,0]=4 3293 B13R1.354 CCOc1cc(ccc1N)C(=O)N 34a_100011850428_100000210202 [0,2,0,0,0,0|2,0,0]=4 3294 B13R1.354 CCOc1cc(ccc1N)C(=O)N 7a_100011850428_100000210202 [0,2,0,0,0,0|2,0,0]=4 3295 B13R1.354 CCOc1cc(ccc1O)C(=O)C 1458a_100011260950_200000210301 [0,2,0,0,0,0|1,0,0]=3 3296 B13R1.354 CCOc1cc(ccc1O)C(=O)[13CH3] 1458a_100011260950_200025704644 [0,2,0,0,0,0|1,0,0]=3 3297 B13R1.354 CCSc1cc(ccc1O)C(=O)C 62a_100011772453_100000210202 [0,2,0,0,0,0|1,1,0]=4 3298 B13R1.354 CNCc1cc(ccc1O)C(=O)C 34a_100102657272_100000010293 [0,2,0,0,0,0|2,0,0]=4 3299 B13R1.354 COCc1cc(ccc1O)C(=O)C 34a_100138415774_100000010293 [0,2,0,0,0,0|1,0,0]=3 3300 B13R1.354 COCc1cc(ccc1O)[N+](=O)[O-] 34a_100138415774_200009813932 [0,2,0,0,0,0|1,0,1]=4 3301 B13R1.354 CSCc1cc(ccc1O)C(=O)C 62a_100000010293_200000210301 [0,2,0,0,0,0|1,1,0]=4 3302 B13R1.354 NC(=O)c1ccc(c(c1)OCF)Br 34a_100012344895_100015361967 [0,2,0,0,0,0|2,0,0]=4 3303 B13R1.354 NC(=O)c1ccc(c(c1)OCF)Br 7a_100012344895_100015361967 [0,2,0,0,0,0|2,0,0]=4 3304 B13R1.354 NC(=O)c1ccc(c(c1)OCF)N 34a_100011850428_100015361967 [0,2,0,0,0,0|2,0,0]=4 3305 B13R1.354 NC(=O)c1ccc(c(c1)OCF)N 7a_100011850428_100015361967 [0,2,0,0,0,0|2,0,0]=4 3306 B13R1.651 C=C(C)c1cc(c(cc1F)O)OC 271570a_100000694244_100010189133 [0,2,0,0,0,0|2,0,0]=4 3307 B13R1.651 COc1cc(c(cc1C)Br)C(=O)C 1458a_100010289115_200000210301 [0,2,0,0,0,0|2,0,0]=4 3308 B13R1.651 COc1cc(c(cc1C)Br)C(=O)[13CH3] 1458a_100010289115_200025704644 [0,2,0,0,0,0|2,0,0]=4 3309 B13R1.651 COc1cc(c(cc1F)Br)C(=O)C 1458a_100010174800_200000210301 [0,2,0,0,0,0|2,0,0]=4 3310 B13R1.651 COc1cc(c(cc1F)Br)C(=O)[13CH3] 1458a_100010174800_200025704644 [0,2,0,0,0,0|2,0,0]=4 3311 B13R1.3230 COc1c(ccc(c1F)B(O)O)O 271570a_203496583355_200009815746 [0,2,0,0,0,0|1,0,1]=4 3312 B13R1.3230 COc1c(ccc(c1F)C(=O)C)Br 1458a_100009816242_200000210301 [0,2,0,0,0,0|2,0,0]=4 3313 B13R1.3230 COc1c(ccc(c1F)C(=O)C)Cl 1458a_100010116254_200000210301 [0,2,0,0,0,0|2,0,0]=4 3314 B13R1.3230 COc1c(ccc(c1F)C(=O)C)F 1458a_100000061937_200000210301 [0,2,0,0,0,0|2,0,0]=4 3315 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])Br 1458a_100009816242_200025704644 [0,2,0,0,0,0|2,0,0]=4 3316 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_100010116254_200025704644 [0,2,0,0,0,0|2,0,0]=4 3317 B13R1.3230 COc1c(ccc(c1F)C(=O)[13CH3])F 1458a_100000061937_200025704644 [0,2,0,0,0,0|2,0,0]=4 3318 B13R1.1807 CCC(=O)c1cc(c(cc1F)C)O 1458a_100009839767_100000210202 [0,2,0,0,0,0|2,0,0]=4 3319 B13R1.1807 CCC(=O)c1cc(c(cc1F)O)Cl 1458a_200009924051_100000210202 [0,2,0,0,0,0|2,0,0]=4 3320 B13R1.1807 CCC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_100000210202 [0,2,0,0,0,0|2,0,0]=4 3321 B13R1.1807 CNC(=O)c1cc(c(cc1F)C)O 240690a_100102657272_100009839767 [0,2,0,0,0,0|2,0,0]=4 3322 B13R1.1807 CNC(=O)c1cc(c(cc1F)O)Cl 240690a_100102657272_200009924051 [0,2,0,0,0,0|2,0,0]=4 3323 B13R1.1807 CNC(=O)c1cc(c(cc1F)O)Cl 527a_100102657272_200009924051 [0,2,0,0,0,0|2,0,0]=4 3324 B13R1.1807 CNC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_200107972064 [0,2,0,0,0,0|2,0,0]=4 3325 B13R1.1807 CNC(=O)c1cc(c(cc1O)O)Br 527a_100102657272_100009813906 [0,2,0,0,0,0|2,0,0]=4 3326 B13R1.1807 COC(=O)c1cc(c(cc1C)C)O 271570a_203496583355_200012360129 [0,2,0,0,0,0|1,0,0]=3 3327 B13R1.1807 COC(=O)c1cc(c(cc1C)F)O 271570a_203496583355_100013328185 [0,2,0,0,0,0|1,0,0]=3 3328 B13R1.1807 COC(=O)c1cc(c(cc1C)N)O 271570a_203496583355_100010236254 [0,2,0,0,0,0|1,0,0]=3 3329 B13R1.1807 COC(=O)c1cc(c(cc1C)O)F 271570a_203496583355_100010291504 [0,2,0,0,0,0|1,0,0]=3 3330 B13R1.1807 COC(=O)c1cc(c(cc1Cl)C)O 271570a_203496583355_100014124666 [0,2,0,0,0,0|1,0,0]=3 3331 B13R1.1807 COC(=O)c1cc(c(cc1Cl)N)O 271570a_203496583355_100010204190 [0,2,0,0,0,0|1,0,0]=3 3332 B13R1.1807 COC(=O)c1cc(c(cc1F)C)O 271570a_203496583355_100012920548 [0,2,0,0,0,0|1,0,0]=3 3333 B13R1.1807 COC(=O)c1cc(c(cc1F)Cl)O 271570a_203496583355_100012920370 [0,2,0,0,0,0|1,0,0]=3 3334 B13R1.1807 COC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100000718433 [0,2,0,0,0,0|1,0,0]=3 3335 B13R1.1807 COC(=O)c1cc(c(cc1F)N)O 271570a_203496583355_100010764354 [0,2,0,0,0,0|1,0,0]=3 3336 B13R1.1807 COC(=O)c1cc(c(cc1F)O)F 271570a_203496583355_100010769226 [0,2,0,0,0,0|1,0,0]=3 3337 B13R1.1807 COC(=O)c1cc(c(cc1F)O)N 271570a_203496583355_100000760059 [0,2,0,0,0,0|1,0,0]=3 3338 B13R1.1807 COC(=O)c1cc(c(cc1N)C)O 271570a_203496583355_100010892302 [0,2,0,0,0,0|1,0,0]=3 3339 B13R1.1807 COC(=O)c1cc(c(cc1N)Cl)O 271570a_203496583355_100010253894 [0,2,0,0,0,0|1,0,0]=3 3340 B13R1.1807 COC(=O)c1cc(c(cc1N)F)O 271570a_203496583355_100000699149 [0,2,0,0,0,0|1,0,0]=3 3341 B13R1.1807 COC(=O)c1cc(c(cc1N)O)F 271570a_203496583355_100000724440 [0,2,0,0,0,0|1,0,0]=3 3342 B13R1.1807 COC(=O)c1cc(c(cc1O)Br)F 271570a_203496583355_100014686389 [0,2,0,0,0,0|2,0,0]=4 3343 B13R1.1807 COC(=O)c1cc(c(cc1O)C)F 271570a_203496583355_100015763395 [0,2,0,0,0,0|2,0,0]=4 3344 B13R1.1807 COC(=O)c1cc(c(cc1O)C)N 271570a_203496583355_100000730709 [0,2,0,0,0,0|2,0,0]=4 3345 B13R1.1807 COC(=O)c1cc(c(cc1O)C)O 271570a_203496583355_100010233952 [0,2,0,0,0,0|1,0,0]=3 3346 B13R1.1807 COC(=O)c1cc(c(cc1O)Cl)Br 271570a_203496583355_200012920379 [0,2,0,0,0,0|2,0,0]=4 3347 B13R1.1807 COC(=O)c1cc(c(cc1O)F)C 271570a_203496583355_100015451887 [0,2,0,0,0,0|2,0,0]=4 3348 B13R1.1807 COC(=O)c1cc(c(cc1O)F)F 271570a_203496583355_100010195689 [0,2,0,0,0,0|2,0,0]=4 3349 B13R1.1807 COC(=O)c1cc(c(cc1O)F)O 271570a_203496583355_100010371811 [0,2,0,0,0,0|1,0,0]=3 3350 B13R1.1807 COC(=O)c1cc(c(cc1O)N)F 271570a_203496583355_100010764352 [0,2,0,0,0,0|2,0,0]=4 3351 B13R1.1807 COC(=O)c1cc(c(cc1O)N)O 271570a_203496583355_100010075205 [0,2,0,0,0,0|1,0,0]=3 3352 B13R1.1807 COC(=O)c1cc(c(cc1O)O)F 271570a_203496583355_100010760826 [0,2,0,0,0,0|1,0,0]=3 3353 B13R1.1807 COC(=O)c1cc(c(nc1C)N)O 271570a_203496583355_200020932694 [0,2,0,0,0,0|2,0,0]=4 3354 B13R1.1807 COC(=O)c1cc(c(nc1C)O)O 271570a_203496583355_100000729808 [0,2,0,0,0,0|1,0,0]=3 3355 B13R1.1807 Cc1cc(c(cc1O)C(=O)CF)F 1458a_100009839767_100015361967 [0,2,0,0,0,0|2,0,0]=4 3356 B13R1.1807 NNC(=O)c1cc(c(cc1F)F)O 271570a_203496583355_100135386025 [0,2,0,0,0,0|2,0,0]=4 3357 B13R1.1807 O=C(CF)c1cc(c(cc1F)O)Cl 1458a_200009924051_100015361967 [0,2,0,0,0,0|2,0,0]=4 3358 B13R1.1807 O=C(CF)c1cc(c(cc1O)O)Br 1458a_100009813906_100015361967 [0,2,0,0,0,0|2,0,0]=4 3359 B13R1.2811 CC(=O)c1cc(c(c(c1F)F)O)F 1458a_100000088966_200000210301 [0,2,0,0,0,0|2,0,0]=4 3360 B13R1.2811 CC(=O)c1cc(c(c(c1F)O)F)F 1458a_100000737090_200000210301 [0,2,0,0,0,0|2,0,0]=4 3361 B13R1.2811 NC(=O)c1cc(c(c(c1N)F)Br)O 271570a_203496583355_102495333281 [0,2,0,0,0,0|2,0,0]=4 3362 B13R1.2811 [13CH3]C(=O)c1cc(c(c(c1F)F)O)F 1458a_100000088966_200025704644 [0,2,0,0,0,0|2,0,0]=4 3363 B13R1.2811 [13CH3]C(=O)c1cc(c(c(c1F)O)F)F 1458a_100000737090_200025704644 [0,2,0,0,0,0|2,0,0]=4 3364 B13R1.2812 CC(=O)c1c(cc(c(c1Br)O)Br)Br 1458a_100009813419_200000210301 [0,2,0,0,0,0|2,0,0]=4 3365 B13R1.2812 CC(=O)c1c(cc(c(c1Br)O)C)C 1458a_200009992459_200000210301 [0,2,0,0,0,0|2,0,0]=4 3366 B13R1.2812 CC(=O)c1c(cc(c(c1I)O)I)I 1458a_200000042944_200000210301 [0,2,0,0,0,0|2,0,0]=4 3367 B13R1.2812 Cc1cc(c(c(c1O)Br)C(=O)[13CH3])C 1458a_200009992459_200025704644 [0,2,0,0,0,0|2,0,0]=4 3368 B13R1.2812 [13CH3]C(=O)c1c(cc(c(c1Br)O)Br)Br 1458a_100009813419_200025704644 [0,2,0,0,0,0|2,0,0]=4 3369 B13R1.2812 [13CH3]C(=O)c1c(cc(c(c1I)O)I)I 1458a_200000042944_200025704644 [0,2,0,0,0,0|2,0,0]=4 3370 B13R1.466 C#CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000184674 [0,2,0,0,0,0|2,0,0]=4 3371 B13R1.466 C#CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000184674 [0,2,0,0,0,0|2,0,0]=4 3372 B13R1.466 C#CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000184674 [0,2,0,0,0,0|2,0,0]=4 3373 B13R1.466 C#CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000184674 [0,2,0,0,0,0|2,0,0]=4 3374 B13R1.466 C#CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000184674 [0,2,0,0,0,0|2,0,0]=4 3375 B13R1.466 C#CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000184674 [0,2,0,0,0,0|2,0,0]=4 3376 B13R1.466 C#CCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000184674 [0,2,0,0,0,0|2,0,0]=4 3377 B13R1.466 C#CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000184674 [0,2,0,0,0,0|2,0,0]=4 3378 B13R1.466 C#CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000184674 [0,2,0,0,0,0|2,0,0]=4 3379 B13R1.466 C#CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000184674 [0,2,0,0,0,0|2,0,0]=4 3380 B13R1.466 C#CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000184674 [0,2,0,0,0,0|1,0,0]=3 3381 B13R1.466 C=CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210623 [0,2,0,0,0,0|2,0,0]=4 3382 B13R1.466 C=CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210623 [0,2,0,0,0,0|2,0,0]=4 3383 B13R1.466 C=CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210623 [0,2,0,0,0,0|2,0,0]=4 3384 B13R1.466 C=CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210623 [0,2,0,0,0,0|2,0,0]=4 3385 B13R1.466 C=CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210623 [0,2,0,0,0,0|2,0,0]=4 3386 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210623 [0,2,0,0,0,0|2,0,0]=4 3387 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210623 [0,2,0,0,0,0|2,0,0]=4 3388 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210623 [0,2,0,0,0,0|2,0,0]=4 3389 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210623 [0,2,0,0,0,0|2,0,0]=4 3390 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210623 [0,2,0,0,0,0|2,0,0]=4 3391 B13R1.466 C=CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210623 [0,2,0,0,0,0|1,0,0]=3 3392 B13R1.466 CCCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100000210303 [0,2,0,0,0,0|2,0,0]=4 3393 B13R1.466 CCCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210303 [0,2,0,0,0,0|2,0,0]=4 3394 B13R1.466 CCCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012345043 [0,2,0,0,0,0|2,0,0]=4 3395 B13R1.466 CCCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100000210303 [0,2,0,0,0,0|2,0,0]=4 3396 B13R1.466 CCCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100000210303 [0,2,0,0,0,0|2,0,0]=4 3397 B13R1.466 CCCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100000210303 [0,2,0,0,0,0|2,0,0]=4 3398 B13R1.466 CCCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100000210303 [0,2,0,0,0,0|2,0,0]=4 3399 B13R1.466 CCCC(=O)c1ccc(c(c1)O)C 1458a_100000233767_100000210303 [0,2,0,0,0,0|2,0,0]=4 3400 B13R1.466 CCCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100000210303 [0,2,0,0,0,0|2,0,0]=4 3401 B13R1.466 CCCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100000210303 [0,2,0,0,0,0|2,0,0]=4 3402 B13R1.466 CCCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100000210303 [0,2,0,0,0,0|2,0,0]=4 3403 B13R1.466 CCCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100000210303 [0,2,0,0,0,0|1,0,0]=3 3404 B13R1.466 CCNC(=O)c1ccc(c(c1)Br)O 240690a_100015525214_100000189672 [0,2,0,0,0,0|2,0,0]=4 3405 B13R1.466 CCNC(=O)c1ccc(c(c1)C)O 240690a_100015525214_100000685612 [0,2,0,0,0,0|2,0,0]=4 3406 B13R1.466 CCNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012357431 [0,2,0,0,0,0|2,0,0]=4 3407 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)O 240690a_100015525214_100000212196 [0,2,0,0,0,0|2,0,0]=4 3408 B13R1.466 CCNC(=O)c1ccc(c(c1)Cl)O 527a_100015525214_100000212196 [0,2,0,0,0,0|2,0,0]=4 3409 B13R1.466 CCNC(=O)c1ccc(c(c1)F)O 240690a_100015525214_100000185466 [0,2,0,0,0,0|2,0,0]=4 3410 B13R1.466 CCNC(=O)c1ccc(c(c1)F)O 527a_100015525214_100000185466 [0,2,0,0,0,0|2,0,0]=4 3411 B13R1.466 CCNC(=O)c1ccc(c(c1)I)O 240690a_100015525214_100000037485 [0,2,0,0,0,0|2,0,0]=4 3412 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Br 240690a_100015525214_100000689001 [0,2,0,0,0,0|2,0,0]=4 3413 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Br 527a_100015525214_100000689001 [0,2,0,0,0,0|2,0,0]=4 3414 B13R1.466 CCNC(=O)c1ccc(c(c1)O)C 240690a_100015525214_100000233767 [0,2,0,0,0,0|2,0,0]=4 3415 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Cl 240690a_100015525214_100011933997 [0,2,0,0,0,0|2,0,0]=4 3416 B13R1.466 CCNC(=O)c1ccc(c(c1)O)Cl 527a_100015525214_100011933997 [0,2,0,0,0,0|2,0,0]=4 3417 B13R1.466 CCNC(=O)c1ccc(c(c1)O)F 240690a_100015525214_100000035894 [0,2,0,0,0,0|2,0,0]=4 3418 B13R1.466 CCNC(=O)c1ccc(c(c1)O)F 271570a_203496583355_200012359900 [0,2,0,0,0,0|2,0,0]=4 3419 B13R1.466 CCNC(=O)c1ccc(c(c1)O)F 527a_100015525214_100000035894 [0,2,0,0,0,0|2,0,0]=4 3420 B13R1.466 CCNC(=O)c1ccc(c(c1)O)I 240690a_100015525214_100000239334 [0,2,0,0,0,0|2,0,0]=4 3421 B13R1.466 CCNC(=O)c1ccc(c(c1)O)I 527a_100015525214_100000239334 [0,2,0,0,0,0|2,0,0]=4 3422 B13R1.466 CCOC(=O)c1cc(c(cn1)C)O 271570a_203496583355_100009880029 [0,2,0,0,0,0|2,0,0]=4 3423 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100011294787 [0,2,0,0,0,0|1,0,0]=3 3424 B13R1.466 CCOC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100012229600 [0,2,0,0,0,0|1,0,0]=3 3425 B13R1.466 CCOC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_200012351148 [0,2,0,0,0,0|1,0,0]=3 3426 B13R1.466 CCOC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100011533738 [0,2,0,0,0,0|1,0,0]=3 3427 B13R1.466 CCOC(=O)c1ccc(c(c1)N)O 271570a_203496583355_200011450955 [0,2,0,0,0,0|1,0,0]=3 3428 B13R1.466 CCOC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100012359631 [0,2,0,0,0,0|1,0,0]=3 3429 B13R1.466 CCOC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011934563 [0,2,0,0,0,0|1,0,0]=3 3430 B13R1.466 CCOC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100161115259 [0,2,0,0,0,0|1,0,0]=3 3431 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100009812659 [0,2,0,0,0,0|0,0,0]=2 3432 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012355281 [0,2,0,0,0,0|0,0,0]=2 3433 B13R1.466 CCOC(=O)c1ccc(c(n1)O)C 271570a_203496583355_200009853511 [0,2,0,0,0,0|2,0,0]=4 3434 B13R1.466 CCOC(=O)c1ccc(c(n1)O)O 271570a_203496583355_100010189761 [0,2,0,0,0,0|1,0,0]=3 3435 B13R1.466 CCOC(=O)c1cnc(c(c1)O)N 271570a_203496583355_100009816805 [0,2,0,0,0,0|2,0,0]=4 3436 B13R1.466 CCOC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010004467 [0,2,0,0,0,0|1,0,0]=3 3437 B13R1.466 CCOC(=O)c1cnc(c(c1)O)O 271570a_203496583355_100010179890 [0,2,0,0,0,0|1,0,0]=3 3438 B13R1.466 CNCC(=O)c1ccc(c(c1)Cl)O 7a_106832991635_200010170092 [0,2,0,0,0,0|2,0,0]=4 3439 B13R1.466 CNCC(=O)c1ccc(c(c1)O)O 7a_106832991635_100000183813 [0,2,0,0,0,0|1,0,0]=3 3440 B13R1.466 CNCC(O)c1ccc(c(c1)O)O 34a_100000106456_200000210301 [0,2,0,0,0,0|1,0,1]=4 3441 B13R1.466 CNNC(=O)c1ccc(c(c1)Br)O 22a_100016993582_100000189672 [0,2,0,0,0,0|2,0,0]=4 3442 B13R1.466 CNNC(=O)c1ccc(c(c1)C)O 22a_100016993582_100000685612 [0,2,0,0,0,0|2,0,0]=4 3443 B13R1.466 CNNC(=O)c1ccc(c(c1)Cl)O 22a_100016993582_100000212196 [0,2,0,0,0,0|2,0,0]=4 3444 B13R1.466 CNNC(=O)c1ccc(c(c1)F)O 22a_100016993582_100000185466 [0,2,0,0,0,0|2,0,0]=4 3445 B13R1.466 CNNC(=O)c1ccc(c(c1)I)O 22a_100016993582_100000037485 [0,2,0,0,0,0|2,0,0]=4 3446 B13R1.466 CNNC(=O)c1ccc(c(c1)O)Br 22a_100016993582_100000689001 [0,2,0,0,0,0|2,0,0]=4 3447 B13R1.466 CNNC(=O)c1ccc(c(c1)O)C 22a_100016993582_100000233767 [0,2,0,0,0,0|2,0,0]=4 3448 B13R1.466 CNNC(=O)c1ccc(c(c1)O)Cl 22a_100016993582_100011933997 [0,2,0,0,0,0|2,0,0]=4 3449 B13R1.466 CNNC(=O)c1ccc(c(c1)O)F 22a_100016993582_100000035894 [0,2,0,0,0,0|2,0,0]=4 3450 B13R1.466 CNNC(=O)c1ccc(c(c1)O)I 22a_100016993582_100000239334 [0,2,0,0,0,0|2,0,0]=4 3451 B13R1.466 COCC(=O)c1ccc(c(c1)Br)C 34a_100138415774_100012346676 [0,2,0,0,0,0|2,0,0]=4 3452 B13R1.466 COCC(=O)c1ccc(c(c1)Br)F 34a_100138415774_100011217175 [0,2,0,0,0,0|2,0,0]=4 3453 B13R1.466 COCC(=O)c1ccc(c(c1)Cl)Br 34a_100138415774_200012349649 [0,2,0,0,0,0|2,0,0]=4 3454 B13R1.466 COCC(=O)c1ccc(c(c1)Cl)Cl 7a_100000246375_200000210301 [0,2,0,0,0,0|2,0,0]=4 3455 B13R1.466 COCC(=O)c1ccc(c(c1)Cl)F 34a_100138415774_100000757878 [0,2,0,0,0,0|2,0,0]=4 3456 B13R1.466 COCC(=O)c1ccc(c(c1)F)Br 34a_100138415774_100012361357 [0,2,0,0,0,0|2,0,0]=4 3457 B13R1.466 COCC(=O)c1ccc(c(c1)F)C 34a_100138415774_100011219196 [0,2,0,0,0,0|2,0,0]=4 3458 B13R1.466 COCC(=O)c1ccc(c(c1)F)Cl 34a_100138415774_100012351892 [0,2,0,0,0,0|2,0,0]=4 3459 B13R1.466 COCC(=O)c1ccc(c(c1)F)F 34a_100138415774_100000183380 [0,2,0,0,0,0|2,0,0]=4 3460 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)O 62a_200000210301_200010170092 [0,2,0,0,0,0|1,1,0]=4 3461 B13R1.466 CSCC(=O)c1ccc(c(c1)Cl)O 62a_200010170092_200000210301 [0,2,0,0,0,0|1,1,0]=4 3462 B13R1.466 CSCC(=O)c1ccc(c(c1)O)O 62a_200000210301_100000183813 [0,2,0,0,0,0|0,1,0]=3 3463 B13R1.466 Cc1cc(ccc1Br)C(=O)CCO 1458a_100000692631_100000211926 [0,2,0,0,0,0|2,0,0]=4 3464 B13R1.466 Cc1cc(ccc1Cl)C(=O)CCO 1458a_100000686306_100000211926 [0,2,0,0,0,0|2,0,0]=4 3465 B13R1.466 Cc1cc(ccc1F)C(=O)CCO 1458a_100000751819_100000211926 [0,2,0,0,0,0|2,0,0]=4 3466 B13R1.466 Cc1cc(ccc1I)C(=O)CCO 1458a_100000751300_100000211926 [0,2,0,0,0,0|2,0,0]=4 3467 B13R1.466 Cc1cc(ccc1O)C(=O)CC#N 1458a_100000685612_100011214920 [0,2,0,0,0,0|2,0,0]=4 3468 B13R1.466 Cc1cc(ccc1O)C(=O)CCF 1458a_100000685612_100011217306 [0,2,0,0,0,0|2,0,0]=4 3469 B13R1.466 Cc1cc(ccc1O)C(=O)CCO 1458a_100000685612_100000211926 [0,2,0,0,0,0|1,0,0]=3 3470 B13R1.466 Cc1ccc(cc1Br)C(=O)CCO 1458a_100000186397_100000211926 [0,2,0,0,0,0|2,0,0]=4 3471 B13R1.466 Cc1ccc(cc1C)C(=O)CCO 1458a_100000210898_100000211926 [0,2,0,0,0,0|2,0,0]=4 3472 B13R1.466 Cc1ccc(cc1Cl)C(=O)CCO 1458a_100000751740_100000211926 [0,2,0,0,0,0|2,0,0]=4 3473 B13R1.466 Cc1ccc(cc1F)C(=O)CCO 1458a_100000212313_100000211926 [0,2,0,0,0,0|2,0,0]=4 3474 B13R1.466 Cc1ccc(cc1I)C(=O)CCO 1458a_100000751299_100000211926 [0,2,0,0,0,0|2,0,0]=4 3475 B13R1.466 Cc1ccc(cc1O)C(=O)CC#N 1458a_100000233767_100011214920 [0,2,0,0,0,0|2,0,0]=4 3476 B13R1.466 Cc1ccc(cc1O)C(=O)CCF 1458a_100000233767_100011217306 [0,2,0,0,0,0|2,0,0]=4 3477 B13R1.466 Cc1ccc(cc1O)C(=O)CCO 1458a_100000233767_100000211926 [0,2,0,0,0,0|1,0,0]=3 3478 B13R1.466 N#CCC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_100011214920 [0,2,0,0,0,0|2,0,0]=4 3479 B13R1.466 N#CCC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_100011214920 [0,2,0,0,0,0|2,0,0]=4 3480 B13R1.466 N#CCC(=O)c1ccc(c(c1)F)O 1458a_100000185466_100011214920 [0,2,0,0,0,0|2,0,0]=4 3481 B13R1.466 N#CCC(=O)c1ccc(c(c1)I)O 1458a_100000037485_100011214920 [0,2,0,0,0,0|2,0,0]=4 3482 B13R1.466 N#CCC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_100011214920 [0,2,0,0,0,0|2,0,0]=4 3483 B13R1.466 N#CCC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_100011214920 [0,2,0,0,0,0|2,0,0]=4 3484 B13R1.466 N#CCC(=O)c1ccc(c(c1)O)F 1458a_100000035894_100011214920 [0,2,0,0,0,0|2,0,0]=4 3485 B13R1.466 N#CCC(=O)c1ccc(c(c1)O)I 1458a_100000239334_100011214920 [0,2,0,0,0,0|2,0,0]=4 3486 B13R1.466 N#CCC(=O)c1ccc(c(c1)O)O 1458a_100000212155_100011214920 [0,2,0,0,0,0|1,0,0]=3 3487 B13R1.466 O=C(CCF)c1ccc(c(c1)Br)O 1458a_100000189672_100011217306 [0,2,0,0,0,0|2,0,0]=4 3488 B13R1.466 O=C(CCF)c1ccc(c(c1)Cl)O 1458a_100000212196_100011217306 [0,2,0,0,0,0|2,0,0]=4 3489 B13R1.466 O=C(CCF)c1ccc(c(c1)F)O 1458a_100000185466_100011217306 [0,2,0,0,0,0|2,0,0]=4 3490 B13R1.466 O=C(CCF)c1ccc(c(c1)I)O 1458a_100000037485_100011217306 [0,2,0,0,0,0|2,0,0]=4 3491 B13R1.466 O=C(CCF)c1ccc(c(c1)O)Br 1458a_100000689001_100011217306 [0,2,0,0,0,0|2,0,0]=4 3492 B13R1.466 O=C(CCF)c1ccc(c(c1)O)Cl 1458a_100011933997_100011217306 [0,2,0,0,0,0|2,0,0]=4 3493 B13R1.466 O=C(CCF)c1ccc(c(c1)O)F 1458a_100000035894_100011217306 [0,2,0,0,0,0|2,0,0]=4 3494 B13R1.466 O=C(CCF)c1ccc(c(c1)O)I 1458a_100000239334_100011217306 [0,2,0,0,0,0|2,0,0]=4 3495 B13R1.466 O=C(CCF)c1ccc(c(c1)O)O 1458a_100000212155_100011217306 [0,2,0,0,0,0|1,0,0]=3 3496 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)Br 1458a_100012339404_100000211926 [0,2,0,0,0,0|2,0,0]=4 3497 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)Cl 1458a_100000691181_100000211926 [0,2,0,0,0,0|2,0,0]=4 3498 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)F 1458a_100000760357_100000211926 [0,2,0,0,0,0|2,0,0]=4 3499 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)I 1458a_100000739115_100000211926 [0,2,0,0,0,0|2,0,0]=4 3500 B13R1.466 O=C(CCO)c1ccc(c(c1)Br)O 1458a_100000189672_100000211926 [0,2,0,0,0,0|1,0,0]=3 3501 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)Br 1458a_100000687082_100000211926 [0,2,0,0,0,0|2,0,0]=4 3502 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000211926 [0,2,0,0,0,0|2,0,0]=4 3503 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)F 1458a_100000686462_100000211926 [0,2,0,0,0,0|2,0,0]=4 3504 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)I 1458a_100000684831_100000211926 [0,2,0,0,0,0|2,0,0]=4 3505 B13R1.466 O=C(CCO)c1ccc(c(c1)Cl)O 1458a_100000212196_100000211926 [0,2,0,0,0,0|1,0,0]=3 3506 B13R1.466 O=C(CCO)c1ccc(c(c1)F)Br 1458a_100000743946_100000211926 [0,2,0,0,0,0|2,0,0]=4 3507 B13R1.466 O=C(CCO)c1ccc(c(c1)F)Cl 1458a_100000743183_100000211926 [0,2,0,0,0,0|2,0,0]=4 3508 B13R1.466 O=C(CCO)c1ccc(c(c1)F)F 1458a_100000209822_100000211926 [0,2,0,0,0,0|2,0,0]=4 3509 B13R1.466 O=C(CCO)c1ccc(c(c1)F)I 1458a_100000062624_100000211926 [0,2,0,0,0,0|2,0,0]=4 3510 B13R1.466 O=C(CCO)c1ccc(c(c1)F)O 1458a_100000185466_100000211926 [0,2,0,0,0,0|1,0,0]=3 3511 B13R1.466 O=C(CCO)c1ccc(c(c1)I)Br 1458a_100012343876_100000211926 [0,2,0,0,0,0|2,0,0]=4 3512 B13R1.466 O=C(CCO)c1ccc(c(c1)I)Cl 1458a_100000739381_100000211926 [0,2,0,0,0,0|2,0,0]=4 3513 B13R1.466 O=C(CCO)c1ccc(c(c1)I)F 1458a_100000688015_100000211926 [0,2,0,0,0,0|2,0,0]=4 3514 B13R1.466 O=C(CCO)c1ccc(c(c1)I)I 1458a_100000725830_100000211926 [0,2,0,0,0,0|2,0,0]=4 3515 B13R1.466 O=C(CCO)c1ccc(c(c1)I)O 1458a_100000037485_100000211926 [0,2,0,0,0,0|1,0,0]=3 3516 B13R1.466 O=C(CCO)c1ccc(c(c1)O)Br 1458a_100000689001_100000211926 [0,2,0,0,0,0|1,0,0]=3 3517 B13R1.466 O=C(CCO)c1ccc(c(c1)O)Cl 1458a_100011933997_100000211926 [0,2,0,0,0,0|1,0,0]=3 3518 B13R1.466 O=C(CCO)c1ccc(c(c1)O)F 1458a_100000035894_100000211926 [0,2,0,0,0,0|1,0,0]=3 3519 B13R1.466 O=C(CCO)c1ccc(c(c1)O)I 1458a_100000239334_100000211926 [0,2,0,0,0,0|1,0,0]=3 3520 B13R1.466 O=C(CCO)c1ccc(c(c1)O)O 1458a_100000212155_100000211926 [0,2,0,0,0,0|0,0,0]=2 3521 B13R1.466 [13CH3]NCC(O)c1ccc(c(c1)O)O 34a_100000106456_200025704644 [0,2,0,0,0,0|1,0,1]=4 3522 B13R1.466 [13CH3]OCC(=O)c1ccc(c(c1)Cl)Cl 7a_100000246375_200025704644 [0,2,0,0,0,0|2,0,0]=4 3523 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)O 62a_200010170092_200025704644 [0,2,0,0,0,0|1,1,0]=4 3524 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)Cl)O 62a_200025704644_200010170092 [0,2,0,0,0,0|1,1,0]=4 3525 B13R1.466 [13CH3]SCC(=O)c1ccc(c(c1)O)O 62a_200025704644_100000183813 [0,2,0,0,0,0|0,1,0]=3 3526 B13R1.1808 CCC(=O)c1ccc(c(c1Br)O)Br 1458a_100016068111_100000210202 [0,2,0,0,0,0|2,0,0]=4 3527 B13R1.1808 CCC(=O)c1ccc(c(c1Cl)O)O 1458a_100009910189_100000210202 [0,2,0,0,0,0|1,0,0]=3 3528 B13R1.1808 CCC(=O)c1ccc(c(c1F)F)O 1458a_100000036740_100000210202 [0,2,0,0,0,0|2,0,0]=4 3529 B13R1.1808 CCC(=O)c1ccc(c(c1F)O)F 1458a_100000084588_100000210202 [0,2,0,0,0,0|2,0,0]=4 3530 B13R1.1808 CCC(=O)c1ccc(c(c1O)O)O 1458a_100000037941_100000210202 [0,2,0,0,0,0|1,0,0]=3 3531 B13R1.1808 CNC(=O)c1ccc(c(c1Br)O)Br 240690a_100102657272_100016068111 [0,2,0,0,0,0|2,0,0]=4 3532 B13R1.1808 CNC(=O)c1ccc(c(c1Br)O)Br 527a_100102657272_100016068111 [0,2,0,0,0,0|2,0,0]=4 3533 B13R1.1808 CNC(=O)c1ccc(c(c1Cl)O)O 240690a_100102657272_100009910189 [0,2,0,0,0,0|1,0,0]=3 3534 B13R1.1808 CNC(=O)c1ccc(c(c1F)F)O 240690a_100102657272_100000036740 [0,2,0,0,0,0|2,0,0]=4 3535 B13R1.1808 CNC(=O)c1ccc(c(c1F)O)F 240690a_100102657272_100000084588 [0,2,0,0,0,0|2,0,0]=4 3536 B13R1.1808 COC(=O)c1ccc(c(c1C)C)O 271570a_203496583355_100010761469 [0,2,0,0,0,0|1,0,0]=3 3537 B13R1.1808 COC(=O)c1ccc(c(c1C)F)O 271570a_203496583355_100010291505 [0,2,0,0,0,0|1,0,0]=3 3538 B13R1.1808 COC(=O)c1ccc(c(c1C)O)C 271570a_203496583355_200010734123 [0,2,0,0,0,0|1,0,0]=3 3539 B13R1.1808 COC(=O)c1ccc(c(c1C)O)N 271570a_203496583355_100010764323 [0,2,0,0,0,0|1,0,0]=3 3540 B13R1.1808 COC(=O)c1ccc(c(c1C)O)O 271570a_203496583355_100010889012 [0,2,0,0,0,0|0,0,0]=2 3541 B13R1.1808 COC(=O)c1ccc(c(c1Cl)O)N 271570a_203496583355_200016031531 [0,2,0,0,0,0|1,0,0]=3 3542 B13R1.1808 COC(=O)c1ccc(c(c1F)C)O 271570a_203496583355_100010172522 [0,2,0,0,0,0|1,0,0]=3 3543 B13R1.1808 COC(=O)c1ccc(c(c1F)F)O 271570a_203496583355_100010982024 [0,2,0,0,0,0|1,0,0]=3 3544 B13R1.1808 COC(=O)c1ccc(c(c1F)O)F 271570a_203496583355_100000697099 [0,2,0,0,0,0|1,0,0]=3 3545 B13R1.1808 COC(=O)c1ccc(c(c1F)O)O 271570a_203496583355_100011096176 [0,2,0,0,0,0|0,0,0]=2 3546 B13R1.1808 COC(=O)c1ccc(c(c1N)C)O 271570a_203496583355_100000764893 [0,2,0,0,0,0|1,0,0]=3 3547 B13R1.1808 COC(=O)c1ccc(c(c1N)F)O 271570a_203496583355_100022009169 [0,2,0,0,0,0|1,0,0]=3 3548 B13R1.1808 COC(=O)c1ccc(c(c1O)F)F 271570a_203496583355_100010710315 [0,2,0,0,0,0|2,0,0]=4 3549 B13R1.1808 COC(=O)c1ccc(c(c1O)F)O 271570a_203496583355_100011092008 [0,2,0,0,0,0|1,0,0]=3 3550 B13R1.1808 O=C(CF)c1ccc(c(c1Br)O)Br 1458a_100016068111_100015361967 [0,2,0,0,0,0|2,0,0]=4 3551 B13R1.1808 O=C(CF)c1ccc(c(c1Cl)O)O 1458a_100009910189_100015361967 [0,2,0,0,0,0|1,0,0]=3 3552 B13R1.1808 O=C(CF)c1ccc(c(c1F)F)O 1458a_100000036740_100015361967 [0,2,0,0,0,0|2,0,0]=4 3553 B13R1.1808 O=C(CF)c1ccc(c(c1F)O)F 1458a_100000084588_100015361967 [0,2,0,0,0,0|2,0,0]=4 3554 B13R1.1808 O=C(CF)c1ccc(c(c1O)O)O 1458a_100000037941_100015361967 [0,2,0,0,0,0|1,0,0]=3 3555 B13R1.2678 CCC(=O)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100000210202 [0,2,0,0,0,0|2,0,0]=4 3556 B13R1.2678 CCC(=O)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100000210202 [0,2,0,0,0,0|1,0,0]=3 3557 B13R1.2678 CCC(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_100000210202 [0,2,0,0,0,0|2,0,0]=4 3558 B13R1.2678 CCC(=O)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_100000210202 [0,2,0,0,0,0|2,0,0]=4 3559 B13R1.2678 CCC(=O)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100000210202 [0,2,0,0,0,0|1,0,0]=3 3560 B13R1.2678 CCC(=O)c1cc(c(c(c1)F)F)O 1458a_200000081825_100000210202 [0,2,0,0,0,0|2,0,0]=4 3561 B13R1.2678 CCC(=O)c1cc(c(c(c1)F)O)F 1458a_100000766045_100000210202 [0,2,0,0,0,0|2,0,0]=4 3562 B13R1.2678 CCC(=O)c1cc(c(c(c1)I)O)I 1458a_100000034356_100000210202 [0,2,0,0,0,0|2,0,0]=4 3563 B13R1.2678 CCC(=O)c1cc(c(c(c1)O)C)O 1458a_100000031928_100000210202 [0,2,0,0,0,0|2,0,0]=4 3564 B13R1.2678 CCC(=O)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100000210202 [0,2,0,0,0,0|2,0,0]=4 3565 B13R1.2678 CCC(=O)c1cc(c(c(c1)O)O)O 1458a_100000212154_100000210202 [0,2,0,0,0,0|1,0,0]=3 3566 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)O)Br 240690a_100102657272_100000692688 [0,2,0,0,0,0|2,0,0]=4 3567 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)O)Br 527a_100102657272_100000692688 [0,2,0,0,0,0|2,0,0]=4 3568 B13R1.2678 CNC(=O)c1cc(c(c(c1)Br)O)O 240690a_100102657272_200009992764 [0,2,0,0,0,0|1,0,0]=3 3569 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)O)C 240690a_100102657272_100011219978 [0,2,0,0,0,0|2,0,0]=4 3570 B13R1.2678 CNC(=O)c1cc(c(c(c1)C)O)C 527a_100102657272_100011219978 [0,2,0,0,0,0|2,0,0]=4 3571 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)O)Cl 240690a_100102657272_100000184433 [0,2,0,0,0,0|2,0,0]=4 3572 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)O)Cl 527a_100102657272_100000184433 [0,2,0,0,0,0|2,0,0]=4 3573 B13R1.2678 CNC(=O)c1cc(c(c(c1)Cl)O)O 240690a_100102657272_200000078382 [0,2,0,0,0,0|1,0,0]=3 3574 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)F)O 240690a_100102657272_200000081825 [0,2,0,0,0,0|2,0,0]=4 3575 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)O)F 240690a_100102657272_100000766045 [0,2,0,0,0,0|2,0,0]=4 3576 B13R1.2678 CNC(=O)c1cc(c(c(c1)F)O)F 527a_100102657272_100000766045 [0,2,0,0,0,0|2,0,0]=4 3577 B13R1.2678 CNC(=O)c1cc(c(c(c1)I)O)I 1626a_100102657272_100000034356 [0,2,0,0,0,0|2,0,0]=4 3578 B13R1.2678 CNC(=O)c1cc(c(c(c1)I)O)I 240690a_100102657272_100000034356 [0,2,0,0,0,0|2,0,0]=4 3579 B13R1.2678 CNC(=O)c1cc(c(c(c1)I)O)I 527a_100102657272_100000034356 [0,2,0,0,0,0|2,0,0]=4 3580 B13R1.2678 CNC(=O)c1cc(c(c(c1)O)Br)O 240690a_100102657272_100009812877 [0,2,0,0,0,0|2,0,0]=4 3581 B13R1.2678 CNC(=O)c1cc(c(c(c1)O)C)O 240690a_100102657272_100000031928 [0,2,0,0,0,0|2,0,0]=4 3582 B13R1.2678 CNC(=O)c1cc(c(c(c1)O)C)O 527a_100102657272_100000031928 [0,2,0,0,0,0|2,0,0]=4 3583 B13R1.2678 CNC(=O)c1cc(c(c(c1)O)Cl)O 240690a_100102657272_100000074654 [0,2,0,0,0,0|2,0,0]=4 3584 B13R1.2678 COC(=O)c1cc(c(=O)n(c1)C)O 271570a_203496583355_200010887340 [0,2,0,0,0,0|1,0,1]=4 3585 B13R1.2678 COC(=O)c1cc(c(c(c1)Br)O)Cl 271570a_203496583355_100012361296 [0,2,0,0,0,0|1,0,0]=3 3586 B13R1.2678 COC(=O)c1cc(c(c(c1)C)O)C 271570a_203496583355_100010209423 [0,2,0,0,0,0|1,0,0]=3 3587 B13R1.2678 COC(=O)c1cc(c(c(c1)Cl)C)O 271570a_203496583355_100012360618 [0,2,0,0,0,0|1,0,0]=3 3588 B13R1.2678 COC(=O)c1cc(c(c(c1)Cl)O)O 271570a_203496583355_100135280131 [0,2,0,0,0,0|0,0,0]=2 3589 B13R1.2678 COC(=O)c1cc(c(c(c1)F)C)O 271570a_203496583355_100012920391 [0,2,0,0,0,0|1,0,0]=3 3590 B13R1.2678 COC(=O)c1cc(c(c(c1)F)F)O 271570a_203496583355_100010189562 [0,2,0,0,0,0|1,0,0]=3 3591 B13R1.2678 COC(=O)c1cc(c(c(c1)F)N)O 271570a_203496583355_100010170820 [0,2,0,0,0,0|1,0,0]=3 3592 B13R1.2678 COC(=O)c1cc(c(c(c1)F)O)F 271570a_203496583355_200010155432 [0,2,0,0,0,0|1,0,0]=3 3593 B13R1.2678 COC(=O)c1cc(c(c(c1)O)C)N 271570a_203496583355_100012353609 [0,2,0,0,0,0|1,0,0]=3 3594 B13R1.2678 COC(=O)c1cc(c(c(c1)O)F)N 271570a_203496583355_200010713629 [0,2,0,0,0,0|1,0,0]=3 3595 B13R1.2678 COC(=O)c1cc(c(c(c1)O)N)C 271570a_203496583355_100010177015 [0,2,0,0,0,0|1,0,0]=3 3596 B13R1.2678 COC(=O)c1cc(c(c(c1)O)N)N 271570a_203496583355_100010128412 [0,2,0,0,0,0|1,0,0]=3 3597 B13R1.2678 COC(=O)c1cc(c(c(c1)O)O)N 271570a_203496583355_100010372079 [0,2,0,0,0,0|0,0,0]=2 3598 B13R1.2678 COC(=O)c1cc(c(c(c1)O)O)O 271570a_203496583355_100010192586 [0,2,0,0,0,0|0,0,0]=2 3599 B13R1.2678 Cc1c(cc(cc1O)C(=O)CF)O 1458a_100000031928_100015361967 [0,2,0,0,0,0|2,0,0]=4 3600 B13R1.2678 Cc1cc(cc(c1O)C)C(=O)CF 1458a_100011219978_100015361967 [0,2,0,0,0,0|2,0,0]=4 3601 B13R1.2678 O=C(CF)c1cc(c(c(c1)Br)O)Br 1458a_100000692688_100015361967 [0,2,0,0,0,0|2,0,0]=4 3602 B13R1.2678 O=C(CF)c1cc(c(c(c1)Br)O)O 1458a_200009992764_100015361967 [0,2,0,0,0,0|1,0,0]=3 3603 B13R1.2678 O=C(CF)c1cc(c(c(c1)Cl)O)Cl 1458a_100000184433_100015361967 [0,2,0,0,0,0|2,0,0]=4 3604 B13R1.2678 O=C(CF)c1cc(c(c(c1)Cl)O)O 1458a_200000078382_100015361967 [0,2,0,0,0,0|1,0,0]=3 3605 B13R1.2678 O=C(CF)c1cc(c(c(c1)F)F)O 1458a_200000081825_100015361967 [0,2,0,0,0,0|2,0,0]=4 3606 B13R1.2678 O=C(CF)c1cc(c(c(c1)F)O)F 1458a_100000766045_100015361967 [0,2,0,0,0,0|2,0,0]=4 3607 B13R1.2678 O=C(CF)c1cc(c(c(c1)I)O)I 1458a_100000034356_100015361967 [0,2,0,0,0,0|2,0,0]=4 3608 B13R1.2678 O=C(CF)c1cc(c(c(c1)O)Cl)O 1458a_100000074654_100015361967 [0,2,0,0,0,0|2,0,0]=4 3609 B13R1.2678 O=C(CF)c1cc(c(c(c1)O)O)O 1458a_100000212154_100015361967 [0,2,0,0,0,0|1,0,0]=3 3610 B11R1.81 CC=Cc1ccc(cc1O)O 271570a_100016259895_100009813921 [0,0,1,1,0,0|2,0,0]=4 3611 B13R2.3050 Cc1ccc2c(c1O)CC(=O)N2 271570a_203496583355_100015548004 [0,0,0,1,0,1|2,0,0]=4 3612 B13R2.13083 Cc1cc2[nH]c(=O)[nH]c2cc1O 271570a_203496583355_100010107294 [0,0,0,1,0,1|2,0,0]=4 3613 B13R2.13083 Cc1cc2c(cc1O)CC(=O)N2 271570a_203496583355_100010201617 [0,0,0,1,0,1|2,0,0]=4 3614 B13R2.13083 O=C1Cc2cc(c(cc2N1)Cl)O 271570a_203496583355_100012929135 [0,0,0,1,0,1|2,0,0]=4 3615 B13R2.13083 O=C1Cc2cc(c(cc2N1)F)O 271570a_203496583355_100000727509 [0,0,0,1,0,1|2,0,0]=4 3616 B13R2.13083 O=C1Cc2cc(c(cc2N1)O)F 271570a_203496583355_200010218348 [0,0,0,1,0,1|2,0,0]=4 3617 B13R2.430 C=C(C)c1ccc2c(c1)OCO2 271570a_100000694244_100000688060 [0,1,0,1,0,0|2,0,0]=4 3618 B13R2.430 CC(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200000210301 [0,1,0,1,0,0|2,0,0]=4 3619 B13R2.430 CC(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200000210301 [0,1,0,1,0,0|1,0,0]=3 3620 B13R2.430 CC(=O)c1ccc2ccoc2c1 1458a_100000077109_200000210301 [0,1,0,1,0,0|2,0,0]=4 3621 B13R2.430 CC(=O)c1ccc2ncoc2c1 1458a_100000750374_200000210301 [0,1,0,1,0,0|2,0,0]=4 3622 B13R2.430 CC(=O)c1ccc2nonc2c1 1458a_100000031939_200000210301 [0,1,0,1,0,0|2,0,0]=4 3623 B13R2.430 CC(=O)c1ccc2occc2c1 1458a_100000039204_200000210301 [0,1,0,1,0,0|2,0,0]=4 3624 B13R2.430 CC(=O)c1ccc2ocnc2c1 1458a_100000238527_200000210301 [0,1,0,1,0,0|2,0,0]=4 3625 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)CCO2 1458a_100011207309_200025704644 [0,1,0,1,0,0|2,0,0]=4 3626 B13R2.430 [13CH3]C(=O)c1ccc2c(c1)OCO2 1458a_100000210863_200025704644 [0,1,0,1,0,0|1,0,0]=3 3627 B13R2.430 [13CH3]C(=O)c1ccc2ccoc2c1 1458a_100000077109_200025704644 [0,1,0,1,0,0|2,0,0]=4 3628 B13R2.430 [13CH3]C(=O)c1ccc2ncoc2c1 1458a_100000750374_200025704644 [0,1,0,1,0,0|2,0,0]=4 3629 B13R2.430 [13CH3]C(=O)c1ccc2nonc2c1 1458a_100000031939_200025704644 [0,1,0,1,0,0|2,0,0]=4 3630 B13R2.430 [13CH3]C(=O)c1ccc2occc2c1 1458a_100000039204_200025704644 [0,1,0,1,0,0|2,0,0]=4 3631 B13R2.430 [13CH3]C(=O)c1ccc2ocnc2c1 1458a_100000238527_200025704644 [0,1,0,1,0,0|2,0,0]=4 3632 B13R2.11634 Cc1cc2c(cc1O)C(=O)CC2 271570a_203496583355_100010133461 [0,1,0,1,0,0|2,0,0]=4 3633 B13R2.11634 Cc1cc2c(cc1O)CCC2=O 271570a_203496583355_100010010902 [0,1,0,1,0,0|2,0,0]=4 3634 B13R2.11634 Nc1cc2c(cc1O)C(=O)CC2 271570a_203496583355_100010080117 [0,1,0,1,0,0|2,0,0]=4 3635 B13R2.11634 O=C1CCc2c1cc(c(c2)F)O 271570a_203496583355_100010010871 [0,1,0,1,0,0|2,0,0]=4 3636 B13R2.11634 O=C1CCc2c1cc(c(c2)O)F 271570a_203496583355_100010010804 [0,1,0,1,0,0|2,0,0]=4 3637 B13R2.5180 Cc1c(ccc2c1CCC2=O)O 271570a_203496583355_100010133460 [0,1,0,1,0,0|2,0,0]=4 3638 B13R2.5180 Cc1c(ccc2c1COC2=O)O 271570a_203496583355_100010986288 [0,1,0,1,0,0|1,0,0]=3 3639 B13R2.5180 Cc1ccc2c(c1O)CCC2=O 271570a_203496583355_100010133459 [0,1,0,1,0,0|2,0,0]=4 3640 B13R2.5180 O=C1CCc2c1ccc(c2F)O 271570a_203496583355_100010133455 [0,1,0,1,0,0|2,0,0]=4 3641 B13R2.5180 O=C1CCc2c1ccc(c2O)F 271570a_203496583355_200010133454 [0,1,0,1,0,0|2,0,0]=4 3642 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [1,0,0,0,1,0|2,0,0]=4 3643 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [1,0,0,0,1,0|2,0,0]=4 3644 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [1,0,0,0,1,0|2,0,0]=4 3645 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [1,0,0,0,1,0|2,0,0]=4 3646 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [1,0,0,0,1,0|2,0,0]=4 3647 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [1,0,0,0,1,0|2,0,0]=4 3648 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [1,0,0,0,1,0|2,0,0]=4 3649 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [1,0,0,0,1,0|2,0,0]=4 3650 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [1,0,0,0,1,0|2,0,0]=4 3651 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [1,0,0,0,1,0|2,0,0]=4 3652 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [1,0,0,0,1,0|2,0,0]=4 3653 B9R1.41 NC(=O)c1cscc1O 271570a_203496583355_100009817205 [1,0,0,0,1,0|2,0,0]=4 3654 B9R1.23 Cc1cc(sc1O)C=O 271570a_203496583355_100000761930 [1,0,0,0,1,0|2,0,0]=4 3655 B9R1.23 Cc1sc(cc1O)C=O 271570a_203496583355_100000708457 [1,0,0,0,1,0|2,0,0]=4 3656 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [1,0,0,0,0,1|2,0,0]=4 3657 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [1,0,0,0,0,1|2,0,0]=4 3658 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [1,0,0,0,0,1|2,0,0]=4 3659 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,0,0,0,0,1|2,0,0]=4 3660 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,0,0,0,0,1|2,0,0]=4 3661 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,0,0,0,0,1|2,0,0]=4 3662 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,0,0,0,0,1|2,0,0]=4 3663 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [1,0,0,0,0,1|2,0,0]=4 3664 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [1,0,0,0,0,1|2,0,0]=4 3665 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [1,0,0,0,0,1|2,0,0]=4 3666 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [1,0,0,0,0,1|2,0,0]=4 3667 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,0,0,0,0,1|1,0,0]=3 3668 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,0,0,0,0,1|1,0,0]=3 3669 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [1,0,0,0,0,1|2,0,0]=4 3670 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [1,0,0,0,0,1|2,0,0]=4 3671 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [1,0,0,0,0,1|2,0,0]=4 3672 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [1,0,0,0,0,1|2,0,0]=4 3673 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [1,0,0,0,0,1|2,0,0]=4 3674 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [1,0,0,0,0,1|2,0,0]=4 3675 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [1,0,0,0,0,1|2,0,0]=4 3676 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [1,0,0,0,0,1|2,0,0]=4 3677 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [1,0,0,0,0,1|2,0,0]=4 3678 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [1,0,0,0,0,1|2,0,0]=4 3679 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [1,0,0,0,0,1|2,0,0]=4 3680 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [1,0,0,0,0,1|2,0,0]=4 3681 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [1,0,0,0,0,1|2,0,0]=4 3682 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [1,0,0,0,0,1|2,0,0]=4 3683 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [1,0,0,0,0,1|2,0,0]=4 3684 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [1,0,0,0,0,1|2,0,0]=4 3685 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [1,0,0,0,0,1|2,0,0]=4 3686 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [1,0,0,0,0,1|2,0,0]=4 3687 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [1,0,0,0,0,1|2,0,0]=4 3688 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [1,0,0,0,0,1|2,0,0]=4 3689 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,0,0,0,0,1|1,0,0]=3 3690 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,0,0,0,0,1|1,0,0]=3 3691 B11R1.20 CC(=O)Nc1ccc(cn1)O 271570a_203496583355_100000193312 [1,0,0,0,0,1|2,0,0]=4 3692 B11R1.20 CC(=O)Nc1ccc(nc1)O 271570a_203496583355_100011934715 [1,0,0,0,0,1|2,0,0]=4 3693 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,0,0,0,0,1|1,0,0]=3 3694 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,0,0,0,0,1|1,0,0]=3 3695 B11R1.20 CC(=S)Oc1ccc(cc1)O 271570a_203496583355_200009816735 [1,0,0,0,0,1|1,1,0]=4 3696 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,0,0,0,0,1|2,0,0]=4 3697 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,0,0,0,0,1|1,0,0]=3 3698 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [1,0,0,0,0,1|2,0,0]=4 3699 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [1,0,0,0,0,1|2,0,0]=4 3700 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [1,0,0,0,0,1|1,0,0]=3 3701 B11R1.20 Oc1ccc(cc1)C=C(Br)Br 271570a_203496583355_200013992848 [1,0,0,0,0,1|2,0,0]=4 3702 B11R1.20 Oc1ccc(cc1)C=C(F)F 271570a_203496583355_200009816947 [1,0,0,0,0,1|2,0,0]=4 3703 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [1,0,0,0,0,1|2,0,0]=4 3704 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,0,0,0,0,1|2,0,0]=4 3705 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [1,0,0,0,0,1|2,0,0]=4 3706 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [1,0,0,0,0,1|2,0,0]=4 3707 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,0,0,0,0,1|1,0,0]=3 3708 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [1,0,0,0,0,1|2,0,0]=4 3709 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [1,0,0,0,0,1|2,0,0]=4 3710 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [1,0,0,0,0,1|2,0,0]=4 3711 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [1,0,0,0,0,1|2,0,0]=4 3712 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [1,0,0,0,0,1|2,0,0]=4 3713 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [1,0,0,0,0,1|2,0,0]=4 3714 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [1,0,0,0,0,1|2,0,0]=4 3715 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [1,0,0,0,0,1|2,0,0]=4 3716 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [1,0,0,0,0,1|2,0,0]=4 3717 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [1,0,0,0,0,1|2,0,0]=4 3718 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [1,0,0,0,0,1|2,0,0]=4 3719 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [1,0,0,0,0,1|1,0,0]=3 3720 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [1,0,0,0,0,1|1,0,0]=3 3721 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [1,0,0,0,0,1|1,0,0]=3 3722 B11R1.157 CC(=O)Nc1cc(ccn1)O 271570a_203496583355_100012362434 [1,0,0,0,0,1|2,0,0]=4 3723 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [1,0,0,0,0,1|2,0,0]=4 3724 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [1,0,0,0,0,1|2,0,0]=4 3725 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [1,0,0,0,0,1|2,0,0]=4 3726 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [1,0,0,0,0,1|2,0,0]=4 3727 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [1,0,0,0,0,1|2,0,0]=4 3728 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [1,0,0,0,0,1|2,0,0]=4 3729 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [1,0,0,0,0,1|2,0,0]=4 3730 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [1,0,0,0,0,1|2,0,0]=4 3731 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [1,0,0,0,0,1|2,0,0]=4 3732 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [1,0,0,0,0,1|2,0,0]=4 3733 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [1,0,0,0,0,1|2,0,0]=4 3734 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [1,0,0,0,0,1|2,0,0]=4 3735 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [1,0,0,0,0,1|2,0,0]=4 3736 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [1,0,0,0,0,1|2,0,0]=4 3737 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [1,0,0,0,0,1|2,0,0]=4 3738 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [1,0,0,0,0,1|2,0,0]=4 3739 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [1,0,0,0,0,1|2,0,0]=4 3740 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [1,0,0,0,0,1|2,0,0]=4 3741 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [1,0,0,0,0,1|2,0,0]=4 3742 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [1,0,0,0,0,1|1,0,0]=3 3743 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [1,0,0,0,0,1|1,0,0]=3 3744 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [1,0,0,0,0,1|1,0,0]=3 3745 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [1,0,0,0,0,1|1,0,0]=3 3746 B11R1.157 CC(=O)Nc1cccc(n1)O 271570a_203496583355_200011307899 [1,0,0,0,0,1|2,0,0]=4 3747 B11R1.157 CC(=O)Nc1ccnc(c1)O 271570a_203496583355_100000238608 [1,0,0,0,0,1|2,0,0]=4 3748 B11R1.157 CC(=O)Nc1cncc(c1)O 271570a_203496583355_100012351681 [1,0,0,0,0,1|2,0,0]=4 3749 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [1,0,0,0,0,1|1,0,0]=3 3750 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [1,0,0,0,0,1|2,0,0]=4 3751 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [1,0,0,0,0,1|1,0,0]=3 3752 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [1,0,0,0,0,1|1,0,0]=3 3753 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [1,0,0,0,0,1|2,0,0]=4 3754 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [1,0,0,0,0,1|2,0,0]=4 3755 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [1,0,0,0,0,1|2,0,0]=4 3756 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [1,0,0,0,0,1|2,0,0]=4 3757 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [1,0,0,0,0,1|1,0,0]=3 3758 B13R1.511 C=C(C)CNc1ccc(c(c1)O)O 34a_100102946323_100000748629 [0,0,0,0,0,2|2,0,0]=4 3759 B13R1.511 C=C(C)CSc1ccc(c(c1)O)O 62a_100000748629_100009813601 [0,0,0,0,0,2|2,0,0]=4 3760 B13R1.511 C=C(F)CNc1ccc(c(c1)O)O 34a_100102946323_100009893438 [0,0,0,0,0,2|2,0,0]=4 3761 B13R1.511 C=C(F)CSc1ccc(c(c1)O)O 62a_100000042424_100009813601 [0,0,0,0,0,2|2,0,0]=4 3762 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200000210301 [0,0,0,0,0,2|2,0,0]=4 3763 B13R1.511 CC(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200000210301 [0,0,0,0,0,2|2,0,0]=4 3764 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200000210301 [0,0,0,0,0,2|1,0,0]=3 3765 B13R1.511 CC(=O)CCc1ccc(c(c1)O)O 1458a_100000070787_200010393615 [0,0,0,0,0,2|1,0,0]=3 3766 B13R1.511 CC(=O)NCc1ccc(c(c1)F)O 240690a_100000758358_100015343762 [0,0,0,0,0,2|2,0,0]=4 3767 B13R1.511 CC(=O)NCc1ccc(c(c1)F)O 527a_100000758358_100103153847 [0,0,0,0,0,2|2,0,0]=4 3768 B13R1.511 CC(=O)NCc1ccc(c(c1)O)Cl 240690a_100020636435_100015343762 [0,0,0,0,0,2|2,0,0]=4 3769 B13R1.511 CC(=O)NCc1ccc(c(c1)O)Cl 527a_100020636435_100103153847 [0,0,0,0,0,2|2,0,0]=4 3770 B13R1.511 CC(=O)NCc1ccc(c(c1)O)F 240690a_100160469508_100015343762 [0,0,0,0,0,2|2,0,0]=4 3771 B13R1.511 CC(=O)NCc1ccc(c(c1)O)F 527a_100160469508_100103153847 [0,0,0,0,0,2|2,0,0]=4 3772 B13R1.511 CC(=O)NCc1ccc(c(c1)O)O 240690a_100000010075_100015343762 [0,0,0,0,0,2|1,0,0]=3 3773 B13R1.511 CC(O)C=Cc1ccc(c(c1)O)O 271570a_200011019289_100009813601 [0,0,0,0,0,2|1,0,1]=4 3774 B13R1.511 CC(O)CNc1ccc(c(c1)O)O 34a_100102946323_100011218427 [0,0,0,0,0,2|1,0,1]=4 3775 B13R1.511 CC(O)CSc1ccc(c(c1)O)O 62a_100011218427_100009813601 [0,0,0,0,0,2|1,0,1]=4 3776 B13R1.511 C[C@@H](O)CNc1ccc(c(c1)O)O 34a_100102946323_100009817552 [0,0,0,0,0,2|1,0,1]=4 3777 B13R1.511 C[C@@H](O)CSc1ccc(c(c1)O)O 62a_100009817552_100009813601 [0,0,0,0,0,2|1,0,1]=4 3778 B13R1.511 Cc1cc(ccc1O)NCC(=O)N 34a_100011218179_100000187820 [0,0,0,0,0,2|2,0,0]=4 3779 B13R1.511 Cc1cc(ccc1O)NCC(=O)N 7a_100011218179_100000187820 [0,0,0,0,0,2|2,0,0]=4 3780 B13R1.511 Cc1cc(ccc1O)NCC(=O)[O-] 34a_100011218179_100020667443 [0,0,0,0,0,2|1,0,1]=4 3781 B13R1.511 Cc1cc(ccc1O)SCC(=O)N 62a_100000747473_100000186361 [0,0,0,0,0,2|2,0,0]=4 3782 B13R1.511 Cc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000186361 [0,0,0,0,0,2|1,0,1]=4 3783 B13R1.511 Cc1ccc(cc1O)NCC(=O)N 34a_100000759471_100000187820 [0,0,0,0,0,2|2,0,0]=4 3784 B13R1.511 Cc1ccc(cc1O)NCC(=O)N 7a_100000759471_100000187820 [0,0,0,0,0,2|2,0,0]=4 3785 B13R1.511 Cc1ccc(cc1O)NCC(=O)[O-] 34a_100000759471_100020667443 [0,0,0,0,0,2|1,0,1]=4 3786 B13R1.511 Cc1ccc(cc1O)SCC(=O)N 62a_100000685420_100000747473 [0,0,0,0,0,2|2,0,0]=4 3787 B13R1.511 Cc1ccc(cc1O)SCC(=O)N 62a_100000747473_100000685420 [0,0,0,0,0,2|2,0,0]=4 3788 B13R1.511 Cc1ccc(cc1O)SCC(=O)[O-] 62a_100000685420_100020667443 [0,0,0,0,0,2|1,0,1]=4 3789 B13R1.511 Cc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100000685420 [0,0,0,0,0,2|1,0,1]=4 3790 B13R1.511 NC(=O)CNc1ccc(c(c1)Br)O 34a_100011534360_100000187820 [0,0,0,0,0,2|2,0,0]=4 3791 B13R1.511 NC(=O)CNc1ccc(c(c1)Cl)O 34a_100000744943_100000187820 [0,0,0,0,0,2|2,0,0]=4 3792 B13R1.511 NC(=O)CNc1ccc(c(c1)F)O 34a_100011220035_100000187820 [0,0,0,0,0,2|2,0,0]=4 3793 B13R1.511 NC(=O)CNc1ccc(c(c1)F)O 7a_100011220035_100000187820 [0,0,0,0,0,2|2,0,0]=4 3794 B13R1.511 NC(=O)CNc1ccc(c(c1)O)Cl 34a_100011934209_100000187820 [0,0,0,0,0,2|2,0,0]=4 3795 B13R1.511 NC(=O)CNc1ccc(c(c1)O)F 34a_100012017398_100000187820 [0,0,0,0,0,2|2,0,0]=4 3796 B13R1.511 NC(=O)CNc1ccc(c(c1)O)F 7a_100012017398_100000187820 [0,0,0,0,0,2|2,0,0]=4 3797 B13R1.511 NC(=O)CNc1ccc(c(c1)O)O 34a_100102946323_100000187820 [0,0,0,0,0,2|1,0,0]=3 3798 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)O 62a_100000747473_100012361655 [0,0,0,0,0,2|2,0,0]=4 3799 B13R1.511 NC(=O)CSc1ccc(c(c1)Br)O 62a_100012361655_100000747473 [0,0,0,0,0,2|2,0,0]=4 3800 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)O 62a_100000747473_100012360047 [0,0,0,0,0,2|2,0,0]=4 3801 B13R1.511 NC(=O)CSc1ccc(c(c1)Cl)O 62a_100012360047_100000747473 [0,0,0,0,0,2|2,0,0]=4 3802 B13R1.511 NC(=O)CSc1ccc(c(c1)F)O 62a_100000185481_100000747473 [0,0,0,0,0,2|2,0,0]=4 3803 B13R1.511 NC(=O)CSc1ccc(c(c1)F)O 62a_100000747473_100000185481 [0,0,0,0,0,2|2,0,0]=4 3804 B13R1.511 NC(=O)CSc1ccc(c(c1)N)O 62a_100000747473_100000752626 [0,0,0,0,0,2|2,0,0]=4 3805 B13R1.511 NC(=O)CSc1ccc(c(c1)N)O 62a_100000752626_100000747473 [0,0,0,0,0,2|2,0,0]=4 3806 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Br 62a_100000747473_100012356990 [0,0,0,0,0,2|2,0,0]=4 3807 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Br 62a_100012356990_100000747473 [0,0,0,0,0,2|2,0,0]=4 3808 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Cl 62a_100000747473_100011356854 [0,0,0,0,0,2|2,0,0]=4 3809 B13R1.511 NC(=O)CSc1ccc(c(c1)O)Cl 62a_100011356854_100000747473 [0,0,0,0,0,2|2,0,0]=4 3810 B13R1.511 NC(=O)CSc1ccc(c(c1)O)F 62a_100000686035_100000747473 [0,0,0,0,0,2|2,0,0]=4 3811 B13R1.511 NC(=O)CSc1ccc(c(c1)O)F 62a_100000747473_100000686035 [0,0,0,0,0,2|2,0,0]=4 3812 B13R1.511 NC(=O)CSc1ccc(c(c1)O)N 62a_100000739049_100000747473 [0,0,0,0,0,2|2,0,0]=4 3813 B13R1.511 NC(=O)CSc1ccc(c(c1)O)N 62a_100000747473_100000739049 [0,0,0,0,0,2|2,0,0]=4 3814 B13R1.511 NC(=O)CSc1ccc(c(c1)O)O 62a_100000747473_100009813601 [0,0,0,0,0,2|1,0,0]=3 3815 B13R1.511 Nc1cc(ccc1O)SCC(=O)[O-] 62a_100000752626_100020667443 [0,0,0,0,0,2|1,0,1]=4 3816 B13R1.511 Nc1cc(ccc1O)SCC(=O)[O-] 62a_100020667443_100000752626 [0,0,0,0,0,2|1,0,1]=4 3817 B13R1.511 Nc1ccc(cc1O)SCC(=O)[O-] 62a_100000739049_100020667443 [0,0,0,0,0,2|1,0,1]=4 3818 B13R1.511 Nc1ccc(cc1O)SCC(=O)[O-] 62a_100020667443_100000739049 [0,0,0,0,0,2|1,0,1]=4 3819 B13R1.511 O=C([O-])CNc1ccc(c(c1)Br)O 34a_100011534360_100020667443 [0,0,0,0,0,2|1,0,1]=4 3820 B13R1.511 O=C([O-])CNc1ccc(c(c1)Cl)O 34a_100000744943_100020667443 [0,0,0,0,0,2|1,0,1]=4 3821 B13R1.511 O=C([O-])CNc1ccc(c(c1)F)O 34a_100011220035_100020667443 [0,0,0,0,0,2|1,0,1]=4 3822 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)Cl 34a_100011934209_100020667443 [0,0,0,0,0,2|1,0,1]=4 3823 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)F 34a_100012017398_100020667443 [0,0,0,0,0,2|1,0,1]=4 3824 B13R1.511 O=C([O-])CNc1ccc(c(c1)O)O 34a_100102946323_100020667443 [0,0,0,0,0,2|0,0,1]=3 3825 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)O 62a_100012361655_100020667443 [0,0,0,0,0,2|1,0,1]=4 3826 B13R1.511 O=C([O-])CSc1ccc(c(c1)Br)O 62a_100020667443_100012361655 [0,0,0,0,0,2|1,0,1]=4 3827 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)O 62a_100012360047_100020667443 [0,0,0,0,0,2|1,0,1]=4 3828 B13R1.511 O=C([O-])CSc1ccc(c(c1)Cl)O 62a_100020667443_100012360047 [0,0,0,0,0,2|1,0,1]=4 3829 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)O 62a_100000185481_100020667443 [0,0,0,0,0,2|1,0,1]=4 3830 B13R1.511 O=C([O-])CSc1ccc(c(c1)F)O 62a_100020667443_100000185481 [0,0,0,0,0,2|1,0,1]=4 3831 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Br 62a_100012356990_100020667443 [0,0,0,0,0,2|1,0,1]=4 3832 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Br 62a_100020667443_100012356990 [0,0,0,0,0,2|1,0,1]=4 3833 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Cl 62a_100011356854_100020667443 [0,0,0,0,0,2|1,0,1]=4 3834 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)Cl 62a_100020667443_100011356854 [0,0,0,0,0,2|1,0,1]=4 3835 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)F 62a_100000686035_100020667443 [0,0,0,0,0,2|1,0,1]=4 3836 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)F 62a_100020667443_100000686035 [0,0,0,0,0,2|1,0,1]=4 3837 B13R1.511 O=C([O-])CSc1ccc(c(c1)O)O 62a_100020667443_100009813601 [0,0,0,0,0,2|0,0,1]=3 3838 B13R1.511 O=[N+]([O-])CNc1ccc(c(c1)O)O 34a_100102946323_100000761209 [0,0,0,0,0,2|1,0,1]=4 3839 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Br)O 1458a_200103079279_200025704644 [0,0,0,0,0,2|2,0,0]=4 3840 B13R1.511 [13CH3]C(=O)C=Cc1ccc(c(c1)Cl)O 1458a_200103117615_200025704644 [0,0,0,0,0,2|2,0,0]=4 3841 B13R1.511 [13CH3]C(=O)CCc1ccc(c(c1)O)O 1458a_100000042615_200025704644 [0,0,0,0,0,2|1,0,0]=3