0 B10R1.113 C=C(C)c1c[n+](ccn1)[O-] 271570a_100000694244_100009880115 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.113 C=C(C)c1ccc[n+](c1)C 271570a_100000694244_100009996589 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.113 C=C(C)c1ccc[n+](c1)[O-] 271570a_100000694244_100009815978 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.113 C=C(C)c1ccnc(c1)C 271570a_100000694244_100000758586 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.113 Cc1cccc(c1)N(C)C 2230a_100000219674_200000210301 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.113 Cc1cccc(c1)N(C)C 269982a_100000219674_200000210301 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.113 Cc1cccc(c1)N(C)C 34a_100000219674_200000210301 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 2230a_100000219674_200025704644 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 269982a_100000219674_200025704644 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 34a_100000219674_200025704644 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.2 C=Cc1c[n+](ccn1)[O-] 271570a_100011290941_100009880115 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.2 C=Cc1ccc[n+](c1)C 271570a_100011290941_100009996589 [1,0,0,0,0,0|1,0,0]=2 47 B9R1.2 C=Cc1ccc[n+](c1)[O-] 271570a_100011290941_100009815978 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.2 C=Cc1cccc(c1)Br 271570a_100011290941_100000691529 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.2 C=Cc1cccc(c1)Cl 271570a_100011290941_100000699651 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.2 C=Cc1cccc(c1)F 271570a_100011290941_100000685547 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.2 C=Cc1cccc(c1)N 271570a_100011290941_100000210019 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.2 C=Cc1cccc(c1)[S] 271570a_100011290941_114929384022 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.2 C=Cc1cccc(n1)C 271570a_100011290941_100000742759 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.2 C=Cc1ccnc(c1)C 271570a_100011290941_100000758586 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.2 COc1ccc[n+](c1)[O-] 34a_100000039713_200000210301 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.2 COc1ccc[n+](c1)[O-] 7a_100000039713_200000210301 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.2 CSc1ccc[n+](c1)C 62a_100009996589_200000210301 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.2 CSc1ccc[n+](c1)C 62a_200000210301_100009996589 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.2 CSc1ccc[n+](c1)[O-] 62a_200000210301_100009815978 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.2 C[n+]1cccc(c1)S[13CH3] 62a_100009996589_200025704644 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.2 C[n+]1cccc(c1)S[13CH3] 62a_200025704644_100009996589 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.2 O=Cc1ccnc(c1)O 271570a_203496583355_100011290808 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.2 [13CH3]Oc1ccc[n+](c1)[O-] 34a_100000039713_200025704644 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.2 [13CH3]Oc1ccc[n+](c1)[O-] 7a_100000039713_200025704644 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.2 [13CH3]Sc1ccc[n+](c1)[O-] 62a_200025704644_100009815978 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [1,0,0,0,0,0|2,0,1]=4 87 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,0,0|2,0,0]=3 89 B11R1.21 C=C(C)c1ccc(=O)n(c1)C 271570a_100000694244_100011245003 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.21 C=C(C)c1ccc([n+](c1)[O-])C 271570a_100000694244_100000703231 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.21 C=C(C)c1ccc(c(c1)C)Br 271570a_100000694244_100009813585 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.21 C=C(C)c1ccc(c(c1)C)C 271570a_100000694244_100011215607 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.21 C=C(C)c1ccc(c(c1)C)Cl 271570a_100000694244_100000049509 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.21 C=C(C)c1ccc(c(c1)C)F 271570a_100000694244_100011218330 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.21 C=C(C)c1ccc(c(c1)C)N 271570a_100000694244_100000211769 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.21 CC(=O)c1cc(c(cn1)O)C 271570a_203496583355_100011011822 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.21 CC(=O)c1cnc(c(c1)C)O 271570a_203496583355_100009864263 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [0,1,0,0,0,0|3,0,0]=4 154 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.21 NC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100009814583 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.21 NC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000686215 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.21 NC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100011202321 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.21 NC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100012344895 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.23 CCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210202 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.23 CCC(=O)c1cccc(c1)F 1458a_100000210950_100000210202 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.23 CCC(=O)c1cccc(c1)I 1458a_100000184098_100000210202 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.23 CCC(=O)c1cccc(c1)O 1458a_100000183914_100000210202 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.23 CCC(=O)c1cccc(c1)O 271570a_203496583355_100000211677 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.23 N#CC(=O)c1cccc(c1)O 271570a_203496583355_100010169886 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.23 NCC(=O)c1cccc(c1)O 271570a_203496583355_100020587001 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.23 NNC(=O)c1cccc(c1)O 271570a_203496583355_100000189783 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.23 O=C(CF)c1cccc(c1)Br 1458a_100000210664_100015361967 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.23 O=C(CF)c1cccc(c1)F 1458a_100000210950_100015361967 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.23 O=C(CF)c1cccc(c1)I 1458a_100000184098_100015361967 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.23 O=C(CF)c1cccc(c1)O 1458a_100000183914_100015361967 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.74 C=C(C)c1cc(cc(c1)C)C 271570a_100000694244_100011215608 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.74 C=C(C)c1cc(cc(c1)Cl)C 271570a_100000694244_100010172791 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.74 C=C(C)c1cc(cc(c1)F)C 271570a_100000694244_100011356977 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.74 C=C(C)c1cc(cc(c1)N)C 271570a_100000694244_100000695972 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.74 C=C(C)c1cc(cc(c1)O)C 271570a_100000694244_100011999630 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200000210301 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.74 CC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_200000210301 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200000210301 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.74 CC(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200000210301 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200000210301 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.74 CC(=O)c1cc(cc(c1)Br)O 271570a_203496583355_100010005435 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.74 CC(=O)c1cc(cc(c1)C)C 1458a_100000210874_200000210301 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.74 CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_200000210301 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200000210301 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200000210301 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200000210301 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.74 CC(=O)c1cc(cc(c1)F)C 1458a_100000763163_200000210301 [0,1,0,0,0,0|2,0,0]=3 244 B11R1.74 CC(=O)c1cc(cc(c1)F)F 1458a_100000211655_200000210301 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.74 CC(=O)c1cc(cc(c1)F)O 1458a_100012017291_200000210301 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.74 CC(=O)c1cc(cc(c1)F)O 271570a_203496583355_100012361402 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.74 CC(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200000210301 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.74 CC(=O)c1cc(cc(c1)I)C 1458a_100000729426_200000210301 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200000210301 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.74 CC(=O)c1cc(cc(c1)I)F 1458a_100012047268_200000210301 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.74 CC(=O)c1cc(cc(c1)I)I 1458a_100011204819_200000210301 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.74 CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_200000210301 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.74 CC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100000694479 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.74 CC(=O)c1cc(nc(c1)O)C 271570a_203496583355_100009884196 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.74 Cc1cc(cc(c1)C(=O)N)O 271570a_203496583355_200012348365 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100000760426_200025704644 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000210874_200025704644 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000684526_200025704644 [0,1,0,0,0,0|2,0,0]=3 259 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])F 1458a_100000763163_200025704644 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])I 1458a_100000729426_200025704644 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000094094_200025704644 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.74 NC(=O)c1cc(cc(c1)F)O 271570a_203496583355_200011280034 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.74 NC(=O)c1cc(cc(c1)O)O 271570a_203496583355_100010084318 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Br 1458a_100000687083_200025704644 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200025704644 [0,1,0,0,0,0|3,0,0]=4 266 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)F 1458a_100000739618_200025704644 [0,1,0,0,0,0|3,0,0]=4 267 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)O 1458a_100011934545_200025704644 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200025704644 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200025704644 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200025704644 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)F 1458a_100000211655_200025704644 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)F)O 1458a_100012017291_200025704644 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Br 1458a_100000689235_200025704644 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200025704644 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)F 1458a_100012047268_200025704644 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)I 1458a_100011204819_200025704644 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.159 C=C(C)c1cccc(c1C)C 271570a_100000694244_100011214922 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.159 C=C(C)c1cccc(c1Cl)C 271570a_100000694244_200012352035 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.159 C=C(C)c1cccc(c1F)C 271570a_100000694244_100000717567 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.159 C=C(C)c1cccc(c1N)C 271570a_100000694244_100011834072 [0,1,0,0,0,0|3,0,0]=4 281 B11R1.159 C=C(C)c1cccc(c1O)C 271570a_100000694244_100009817157 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.159 C=C(C)c1cccn(c1=O)C 271570a_100000694244_100000687173 [0,1,0,0,0,0|2,0,1]=4 283 B11R1.159 CC(=O)c1cccc(c1Br)Br 1458a_100012360534_200000210301 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.159 CC(=O)c1cccc(c1Br)C 1458a_100000692419_200000210301 [0,1,0,0,0,0|2,0,0]=3 285 B11R1.159 CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_200000210301 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.159 CC(=O)c1cccc(c1Br)F 1458a_100011217547_200000210301 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.159 CC(=O)c1cccc(c1Br)I 1458a_100010232522_200000210301 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.159 CC(=O)c1cccc(c1Br)O 1458a_100010230362_200000210301 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.159 CC(=O)c1cccc(c1Cl)Br 1458a_100000760540_200000210301 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.159 CC(=O)c1cccc(c1Cl)C 1458a_100000693142_200000210301 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.159 CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200000210301 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.159 CC(=O)c1cccc(c1Cl)F 1458a_100000759904_200000210301 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.159 CC(=O)c1cccc(c1Cl)I 1458a_100010176783_200000210301 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.159 CC(=O)c1cccc(c1Cl)O 1458a_100000092362_200000210301 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.159 CC(=O)c1cccc(c1F)Br 1458a_100000756403_200000210301 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.159 CC(=O)c1cccc(c1F)C 1458a_100000766181_200000210301 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.159 CC(=O)c1cccc(c1F)Cl 1458a_100000688816_200000210301 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.159 CC(=O)c1cccc(c1F)F 1458a_100000748134_200000210301 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.159 CC(=O)c1cccc(c1F)I 1458a_100010185205_200000210301 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.159 CC(=O)c1cccc(c1F)O 1458a_100000037433_200000210301 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.159 CC(=O)c1cccc(c1F)O 271570a_203496583355_100012355707 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.159 CC(=O)c1cccc(c1I)Br 1458a_100000688019_200000210301 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.159 CC(=O)c1cccc(c1I)C 1458a_100000739377_200000210301 [0,1,0,0,0,0|2,0,0]=3 311 B11R1.159 CC(=O)c1cccc(c1I)Cl 1458a_100010176784_200000210301 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.159 CC(=O)c1cccc(c1I)F 1458a_100000690930_200000210301 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.159 CC(=O)c1cccc(c1I)O 1458a_100010084636_200000210301 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.159 CC(=O)c1cccc(c1O)Br 1458a_100000752940_200000210301 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.159 CC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000210301 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.159 CC(=O)c1cccc(c1O)F 1458a_100011217230_200000210301 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.159 CC(=O)c1cccc(c1O)F 271570a_203496583355_100012362612 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [0,1,0,0,0,0|3,0,0]=4 321 B11R1.159 Cc1c(cccc1C(=O)N)O 271570a_203496583355_200012298201 [0,1,0,0,0,0|3,0,0]=4 322 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.159 Cc1cccc(c1Br)C(=O)[13CH3] 1458a_100000692419_200025704644 [0,1,0,0,0,0|2,0,0]=3 328 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [0,1,0,0,0,0|2,0,0]=3 329 B11R1.159 Cc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000693142_200025704644 [0,1,0,0,0,0|2,0,0]=3 330 B11R1.159 Cc1cccc(c1F)C(=O)[13CH3] 1458a_100000766181_200025704644 [0,1,0,0,0,0|2,0,0]=3 331 B11R1.159 Cc1cccc(c1I)C(=O)[13CH3] 1458a_100000739377_200025704644 [0,1,0,0,0,0|2,0,0]=3 332 B11R1.159 Cc1cccc(c1O)C(=O)N 271570a_203496583355_200011409216 [0,1,0,0,0,0|2,0,0]=3 333 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.159 NC(=O)c1cccc(c1F)O 271570a_203496583355_100012351131 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.159 NC(=O)c1cccc(c1N)O 271570a_203496583355_100010144993 [0,1,0,0,0,0|3,0,0]=4 336 B11R1.159 NC(=O)c1cccc(c1O)F 271570a_203496583355_200012351544 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Br 1458a_100012360534_200025704644 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Cl 1458a_100012339722_200025704644 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)F 1458a_100011217547_200025704644 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)I 1458a_100010232522_200025704644 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)O 1458a_100010230362_200025704644 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Br 1458a_100000760540_200025704644 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200025704644 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)F 1458a_100000759904_200025704644 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)I 1458a_100010176783_200025704644 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)O 1458a_100000092362_200025704644 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Br 1458a_100000756403_200025704644 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Cl 1458a_100000688816_200025704644 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.159 [13CH3]C(=O)c1cccc(c1F)F 1458a_100000748134_200025704644 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.159 [13CH3]C(=O)c1cccc(c1F)I 1458a_100010185205_200025704644 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.159 [13CH3]C(=O)c1cccc(c1F)O 1458a_100000037433_200025704644 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Br 1458a_100000688019_200025704644 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Cl 1458a_100010176784_200025704644 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.159 [13CH3]C(=O)c1cccc(c1I)F 1458a_100000690930_200025704644 [0,1,0,0,0,0|3,0,0]=4 355 B11R1.159 [13CH3]C(=O)c1cccc(c1I)O 1458a_100010084636_200025704644 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Br 1458a_100000752940_200025704644 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Cl 1458a_100000742801_200025704644 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.159 [13CH3]C(=O)c1cccc(c1O)F 1458a_100011217230_200025704644 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [0,1,0,0,0,0|3,0,0]=4 360 B11R1.167 C=C(C)c1cc(ccc1Br)C 271570a_100000694244_100012353751 [0,1,0,0,0,0|3,0,0]=4 361 B11R1.167 C=C(C)c1cc(ccc1C)C 271570a_100000694244_100000210833 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.167 C=C(C)c1cc(ccc1Cl)C 271570a_100000694244_100012356289 [0,1,0,0,0,0|3,0,0]=4 363 B11R1.167 C=C(C)c1cc(ccc1F)C 271570a_100000694244_100000736223 [0,1,0,0,0,0|3,0,0]=4 364 B11R1.167 C=C(C)c1cc(ccc1N)C 271570a_100000694244_100000210942 [0,1,0,0,0,0|3,0,0]=4 365 B11R1.167 C=C(C)c1cc(ccc1O)C 271570a_100000694244_100000765521 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.167 C=C(C)c1cn(ccc1=O)C 271570a_100000694244_100010750718 [0,1,0,0,0,0|2,0,1]=4 367 B11R1.167 CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000210301 [0,1,0,0,0,0|3,0,0]=4 368 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [0,1,0,0,0,0|2,0,0]=3 369 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [0,1,0,0,0,0|3,0,0]=4 370 B11R1.167 CC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000210301 [0,1,0,0,0,0|3,0,0]=4 371 B11R1.167 CC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000210301 [0,1,0,0,0,0|3,0,0]=4 372 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [0,1,0,0,0,0|3,0,0]=4 374 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [0,1,0,0,0,0|2,0,0]=3 375 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [0,1,0,0,0,0|3,0,0]=4 378 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [0,1,0,0,0,0|3,0,0]=4 379 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.167 CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000210301 [0,1,0,0,0,0|3,0,0]=4 381 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.167 CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000210301 [0,1,0,0,0,0|3,0,0]=4 384 B11R1.167 CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000210301 [0,1,0,0,0,0|3,0,0]=4 385 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [0,1,0,0,0,0|3,0,0]=4 386 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [0,1,0,0,0,0|3,0,0]=4 387 B11R1.167 CC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000210301 [0,1,0,0,0,0|3,0,0]=4 388 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [0,1,0,0,0,0|2,0,0]=3 389 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [0,1,0,0,0,0|3,0,0]=4 390 B11R1.167 CC(=O)c1cc(ccc1F)F 1458a_100000198512_200000210301 [0,1,0,0,0,0|3,0,0]=4 391 B11R1.167 CC(=O)c1cc(ccc1F)I 1458a_100000688014_200000210301 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [0,1,0,0,0,0|3,0,0]=4 394 B11R1.167 CC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000210301 [0,1,0,0,0,0|3,0,0]=4 395 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [0,1,0,0,0,0|2,0,0]=3 396 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.167 CC(=O)c1cc(ccc1I)F 1458a_100000748905_200000210301 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.167 CC(=O)c1cc(ccc1I)I 1458a_100000750460_200000210301 [0,1,0,0,0,0|3,0,0]=4 399 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [0,1,0,0,0,0|3,0,0]=4 400 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [0,1,0,0,0,0|3,0,0]=4 402 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [0,1,0,0,0,0|2,0,0]=3 404 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [0,1,0,0,0,0|2,0,0]=3 405 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [0,1,0,0,0,0|3,0,0]=4 406 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [0,1,0,0,0,0|3,0,0]=4 407 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [0,1,0,0,0,0|3,0,0]=4 409 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [0,1,0,0,0,0|3,0,0]=4 410 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [0,1,0,0,0,0|3,0,0]=4 411 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [0,1,0,0,0,0|3,0,0]=4 412 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 271570a_203496583355_200012349609 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [0,1,0,0,0,0|2,0,0]=3 415 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [0,1,0,0,0,0|2,0,0]=3 416 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [0,1,0,0,0,0|2,0,0]=3 417 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [0,1,0,0,0,0|2,0,0]=3 418 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [0,1,0,0,0,0|2,0,0]=3 419 B11R1.167 Cc1ccc(cc1C(=O)N)O 271570a_203496583355_100012257281 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [0,1,0,0,0,0|3,0,0]=4 421 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [0,1,0,0,0,0|3,0,0]=4 422 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [0,1,0,0,0,0|3,0,0]=4 423 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.167 NC(=O)c1cc(ccc1F)O 271570a_203496583355_100000162119 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.167 NC(=O)c1cc(ccc1N)O 271570a_203496583355_100000740421 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.167 NC(=O)c1cc(ccc1O)Br 271570a_203496583355_200000162314 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.167 NC(=O)c1cc(ccc1O)F 271570a_203496583355_100000206434 [0,1,0,0,0,0|3,0,0]=4 429 B11R1.167 NC(=O)c1cc(ccc1O)N 271570a_203496583355_100015186447 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.167 NC(=O)c1cc(ccc1O)O 271570a_203496583355_100000192807 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Br 1458a_100000690610_200025704644 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [0,1,0,0,0,0|3,0,0]=4 433 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)F 1458a_100000212315_200025704644 [0,1,0,0,0,0|3,0,0]=4 434 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)I 1458a_100000698340_200025704644 [0,1,0,0,0,0|3,0,0]=4 435 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200025704644 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [0,1,0,0,0,0|3,0,0]=4 438 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)F 1458a_100011219680_200025704644 [0,1,0,0,0,0|3,0,0]=4 439 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)I 1458a_100000688013_200025704644 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Br 1458a_100000212322_200025704644 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)F 1458a_100000198512_200025704644 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)I 1458a_100000688014_200025704644 [0,1,0,0,0,0|3,0,0]=4 445 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [0,1,0,0,0,0|3,0,0]=4 446 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Br 1458a_100000183945_200025704644 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)F 1458a_100000748905_200025704644 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)I 1458a_100000750460_200025704644 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [0,1,0,0,0,0|3,0,0]=4 451 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [0,1,0,0,0,0|3,0,0]=4 452 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [0,1,0,0,0,0|3,0,0]=4 453 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [0,1,0,0,0,0|3,0,0]=4 454 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [0,1,0,0,0,0|3,0,0]=4 455 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [0,1,0,0,0,0|3,0,0]=4 456 B11R1.266 C#Cc1cccc(c1)C(=O)C 1458a_100011997762_200000210301 [0,1,0,0,0,0|2,0,1]=4 457 B11R1.266 C#Cc1cccc(c1)C(=O)[13CH3] 1458a_100011997762_200025704644 [0,1,0,0,0,0|2,0,1]=4 458 B11R1.266 C=C(C)c1cccc(c1)CC 271570a_100000694244_100000684523 [0,1,0,0,0,0|3,0,0]=4 459 B11R1.266 C=C(C)c1cccc(c1)CF 271570a_100000694244_100010878472 [0,1,0,0,0,0|3,0,0]=4 460 B11R1.266 C=C(C)c1cccc(c1)CN 271570a_100000694244_100000106179 [0,1,0,0,0,0|3,0,0]=4 461 B11R1.266 C=C(C)c1cccc(c1)CO 271570a_100000694244_100000687537 [0,1,0,0,0,0|3,0,0]=4 462 B11R1.266 C=C(C)c1cccc(c1)NC 271570a_100000694244_100000219648 [0,1,0,0,0,0|3,0,0]=4 463 B11R1.266 C=C(C)c1cccc(c1)OC 271570a_100000694244_100000170001 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.266 C=C(C)c1cccc(c1)SC 271570a_100000694244_100011215954 [0,1,0,0,0,0|3,0,0]=4 465 B11R1.266 C=C(C)c1cccc(c1)SC 62a_100012123953_200000210301 [0,1,0,0,0,0|3,0,0]=4 466 B11R1.266 C=C(C)c1cccc(c1)SC 62a_200000210301_100012123953 [0,1,0,0,0,0|3,0,0]=4 467 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_100012123953_200025704644 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_200025704644_100012123953 [0,1,0,0,0,0|3,0,0]=4 469 B11R1.266 C=Cc1cccc(c1)C(=O)C 1458a_100011215009_200000210301 [0,1,0,0,0,0|2,0,1]=4 470 B11R1.266 C=Cc1cccc(c1)C(=O)C 271570a_100011290941_100000210093 [0,1,0,0,0,0|2,0,1]=4 471 B11R1.266 C=Cc1cccc(c1)C(=O)N 271570a_100011290941_100000162208 [0,1,0,0,0,0|2,0,1]=4 472 B11R1.266 C=Cc1cccc(c1)C(=O)[13CH3] 1458a_100011215009_200025704644 [0,1,0,0,0,0|2,0,1]=4 473 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_100000709912_200025704644 [0,1,0,0,0,0|3,0,0]=4 474 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000709912 [0,1,0,0,0,0|3,0,0]=4 475 B11R1.266 CC(=O)c1cccc(c1)C#N 1458a_100000183950_200000210301 [0,1,0,0,0,0|2,0,1]=4 476 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [0,1,0,0,0,0|2,0,0]=3 477 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [0,1,0,0,0,0|2,0,0]=3 478 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [0,1,0,0,0,0|2,0,0]=3 479 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [0,1,0,0,0,0|2,0,0]=3 480 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [0,1,0,0,0,0|2,0,0]=3 481 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_100009816502_200025704644 [0,1,0,0,0,0|3,0,0]=4 482 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100009816502 [0,1,0,0,0,0|3,0,0]=4 483 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_100000685609_200025704644 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100000685609 [0,1,0,0,0,0|3,0,0]=4 485 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_100011216243_200025704644 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100011216243 [0,1,0,0,0,0|3,0,0]=4 487 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [0,1,0,0,0,0|2,0,0]=3 488 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [0,1,0,0,0,0|2,0,0]=3 490 B11R1.266 CNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200000210301 [0,1,0,0,0,0|2,0,0]=3 491 B11R1.266 CNc1cccc(n1)C(=O)C 27a_100102657272_100000085735 [0,1,0,0,0,0|3,0,0]=4 492 B11R1.266 CNc1cccc(n1)C(=O)N 27a_100102657272_100011834053 [0,1,0,0,0,0|3,0,0]=4 493 B11R1.266 CNc1ccnc(c1)C(=O)N 27a_100102657272_100000229564 [0,1,0,0,0,0|3,0,0]=4 494 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [0,1,0,0,0,0|2,0,0]=3 496 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [0,1,0,0,0,0|2,0,0]=3 497 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [0,1,0,0,0,0|2,0,0]=3 498 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [0,1,0,0,0,0|2,0,0]=3 500 B11R1.266 COc1cccc(c1)C(=S)N 7a_100000738086_200000210301 [0,1,0,0,0,0|2,1,0]=4 501 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200000210301 [0,1,0,0,0,0|2,0,0]=3 502 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200000210301 [0,1,0,0,0,0|2,0,0]=3 503 B11R1.266 COc1cncc(c1)C(=O)N 7a_100000698036_200000210301 [0,1,0,0,0,0|3,0,0]=4 504 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200000210301 [0,1,0,0,0,0|3,0,0]=4 505 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200000210301 [0,1,0,0,0,0|3,0,0]=4 506 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_100009816267_200025704644 [0,1,0,0,0,0|3,0,0]=4 507 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100009816267 [0,1,0,0,0,0|3,0,0]=4 508 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_100000685609_200000210301 [0,1,0,0,0,0|3,0,0]=4 509 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_200000210301_100000685609 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_100000229836_200000210301 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.266 CSc1cc(ccn1)C(=O)N 62a_200000210301_100000229836 [0,1,0,0,0,0|3,0,0]=4 512 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [0,1,0,0,0,0|2,0,0]=3 513 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [0,1,0,0,0,0|2,0,0]=3 514 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [0,1,0,0,0,0|2,0,0]=3 515 B11R1.266 CSc1cccc(c1)C(=O)N 62a_100000162208_200000210301 [0,1,0,0,0,0|2,0,0]=3 516 B11R1.266 CSc1cccc(c1)C(=O)N 62a_200000210301_100000162208 [0,1,0,0,0,0|2,0,0]=3 517 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [0,1,0,0,0,0|2,0,0]=3 518 B11R1.266 CSc1cccc(c1)S(=O)C 62a_100009816267_200000210301 [0,1,0,0,0,0|3,0,0]=4 519 B11R1.266 CSc1cccc(c1)S(=O)C 62a_200000210301_100009816267 [0,1,0,0,0,0|3,0,0]=4 520 B11R1.266 CSc1cccc(n1)C(=O)C 62a_100009816502_200000210301 [0,1,0,0,0,0|3,0,0]=4 521 B11R1.266 CSc1cccc(n1)C(=O)C 62a_200000210301_100009816502 [0,1,0,0,0,0|3,0,0]=4 522 B11R1.266 CSc1cccc(n1)C(=O)N 62a_100011834053_200000210301 [0,1,0,0,0,0|3,0,0]=4 523 B11R1.266 CSc1cccc(n1)C(=O)N 62a_200000210301_100011834053 [0,1,0,0,0,0|3,0,0]=4 524 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_100000709912_200000210301 [0,1,0,0,0,0|3,0,0]=4 525 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_200000210301_100000709912 [0,1,0,0,0,0|3,0,0]=4 526 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_100000229564_200000210301 [0,1,0,0,0,0|3,0,0]=4 527 B11R1.266 CSc1ccnc(c1)C(=O)N 62a_200000210301_100000229564 [0,1,0,0,0,0|3,0,0]=4 528 B11R1.266 CSc1cncc(c1)C(=O)C 62a_100011216243_200000210301 [0,1,0,0,0,0|3,0,0]=4 529 B11R1.266 CSc1cncc(c1)C(=O)C 62a_200000210301_100011216243 [0,1,0,0,0,0|3,0,0]=4 530 B11R1.266 CSc1cncc(c1)C(=O)N 62a_100000162242_200000210301 [0,1,0,0,0,0|3,0,0]=4 531 B11R1.266 CSc1cncc(c1)C(=O)N 62a_200000210301_100000162242 [0,1,0,0,0,0|3,0,0]=4 532 B11R1.266 [13CH3]C(=O)c1cccc(c1)C#N 1458a_100000183950_200025704644 [0,1,0,0,0,0|2,0,1]=4 533 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [0,1,0,0,0,0|2,0,0]=3 534 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.266 [13CH3]Nc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200025704644 [0,1,0,0,0,0|2,0,0]=3 536 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.266 [13CH3]Oc1cccc(c1)C(=S)N 7a_100000738086_200025704644 [0,1,0,0,0,0|2,1,0]=4 539 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200025704644 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200025704644 [0,1,0,0,0,0|2,0,0]=3 541 B11R1.266 [13CH3]Oc1cncc(c1)C(=O)N 7a_100000698036_200025704644 [0,1,0,0,0,0|3,0,0]=4 542 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200025704644 [0,1,0,0,0,0|3,0,0]=4 543 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200025704644 [0,1,0,0,0,0|3,0,0]=4 544 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_100000229836_200025704644 [0,1,0,0,0,0|3,0,0]=4 545 B11R1.266 [13CH3]Sc1cc(ccn1)C(=O)N 62a_200025704644_100000229836 [0,1,0,0,0,0|3,0,0]=4 546 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_100000162208_200025704644 [0,1,0,0,0,0|2,0,0]=3 547 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_200025704644_100000162208 [0,1,0,0,0,0|2,0,0]=3 548 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_100011834053_200025704644 [0,1,0,0,0,0|3,0,0]=4 549 B11R1.266 [13CH3]Sc1cccc(n1)C(=O)N 62a_200025704644_100011834053 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_100000229564_200025704644 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.266 [13CH3]Sc1ccnc(c1)C(=O)N 62a_200025704644_100000229564 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_100000162242_200025704644 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.266 [13CH3]Sc1cncc(c1)C(=O)N 62a_200025704644_100000162242 [0,1,0,0,0,0|3,0,0]=4 554 B11R2.35 C[n+]1cccc(c1)C2CC2 271570a_100011220607_100009996589 [0,0,0,1,0,0|2,0,1]=4 555 B11R1.157 CC(=Cc1ccc[n+](c1)C)C 271570a_100102525489_100009996589 [0,0,0,0,0,1|2,0,0]=3 556 B11R1.157 CC(=Cc1ccc[n+](c1)[O-])C 271570a_100102525489_100009815978 [0,0,0,0,0,1|3,0,0]=4 557 B11R1.157 CC(=Cc1cccc(c1)C)C 271570a_100102525489_100011215228 [0,0,0,0,0,1|3,0,0]=4 558 B11R1.157 CC(=O)Cc1cc(ccn1)C 1458a_100000070787_100000718516 [0,0,0,0,0,1|3,0,0]=4 559 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [0,0,0,0,0,1|3,0,0]=4 560 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [0,0,0,0,0,1|3,0,0]=4 561 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,0,0,0,0,1|2,0,0]=3 562 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,0,0,0,0,1|2,0,0]=3 563 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [0,0,0,0,0,1|3,0,0]=4 564 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [0,0,0,0,0,1|3,0,0]=4 565 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [0,0,0,0,0,1|3,0,0]=4 566 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [0,0,0,0,0,1|3,0,0]=4 567 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [0,0,0,0,0,1|3,0,0]=4 568 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [0,0,0,0,0,1|3,0,0]=4 569 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [0,0,0,0,0,1|3,0,0]=4 570 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [0,0,0,0,0,1|3,0,0]=4 571 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [0,0,0,0,0,1|3,0,0]=4 572 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [0,0,0,0,0,1|3,0,0]=4 573 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [0,0,0,0,0,1|3,0,0]=4 574 B11R1.157 CC(=O)Cc1ccnc(c1)C 1458a_100000070787_200020672517 [0,0,0,0,0,1|3,0,0]=4 575 B11R1.157 CC(=O)Cc1cncc(c1)C 1458a_100000070787_100000716715 [0,0,0,0,0,1|3,0,0]=4 576 B11R1.157 CC(=O)Nc1cccc(c1)Br 11a_100000210019_100015343762 [0,0,0,0,0,1|3,0,0]=4 577 B11R1.157 CC(=O)Nc1cccc(c1)Br 1626a_100000210019_100015343762 [0,0,0,0,0,1|3,0,0]=4 578 B11R1.157 CC(=O)Nc1cccc(c1)Br 22a_100000210019_100000070787 [0,0,0,0,0,1|3,0,0]=4 579 B11R1.157 CC(=O)Nc1cccc(c1)Br 527a_100000210019_100103153847 [0,0,0,0,0,1|3,0,0]=4 580 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [0,0,0,0,0,1|2,0,0]=3 581 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [0,0,0,0,0,1|2,0,0]=3 582 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [0,0,0,0,0,1|2,0,0]=3 583 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [0,0,0,0,0,1|2,0,0]=3 584 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [0,0,0,0,0,1|3,0,0]=4 585 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [0,0,0,0,0,1|3,0,0]=4 586 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [0,0,0,0,0,1|3,0,0]=4 587 B11R1.157 CC(=O)Nc1cccc(c1)F 11a_100000210047_100015343762 [0,0,0,0,0,1|3,0,0]=4 588 B11R1.157 CC(=O)Nc1cccc(c1)F 1626a_100000210047_100015343762 [0,0,0,0,0,1|3,0,0]=4 589 B11R1.157 CC(=O)Nc1cccc(c1)F 22a_100000210047_100000070787 [0,0,0,0,0,1|3,0,0]=4 590 B11R1.157 CC(=O)Nc1cccc(c1)F 527a_100000210047_100103153847 [0,0,0,0,0,1|3,0,0]=4 591 B11R1.157 CC(=O)Nc1cccc(c1)I 11a_100000211102_100015343762 [0,0,0,0,0,1|3,0,0]=4 592 B11R1.157 CC(=O)Nc1cccc(c1)I 1626a_100000211102_100015343762 [0,0,0,0,0,1|3,0,0]=4 593 B11R1.157 CC(=O)Nc1cccc(c1)I 22a_100000211102_100000070787 [0,0,0,0,0,1|3,0,0]=4 594 B11R1.157 CC(=O)Nc1cccc(c1)I 527a_100000211102_100103153847 [0,0,0,0,0,1|3,0,0]=4 595 B11R1.157 CC(=O)Nc1cccc(c1)O 1626a_100000210217_100015343762 [0,0,0,0,0,1|3,0,0]=4 596 B11R1.157 CC(=O)Nc1cccc(c1)O 22a_100000210217_100000070787 [0,0,0,0,0,1|3,0,0]=4 597 B11R1.157 CC(=O)Nc1cccc(c1)O 271570a_203496583355_100000153616 [0,0,0,0,0,1|3,0,0]=4 598 B11R1.157 CC(=O)Nc1cccc(c1)O 527a_100000210217_100103153847 [0,0,0,0,0,1|3,0,0]=4 599 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [0,0,0,0,0,1|3,0,0]=4 600 B11R1.157 CC(C)Sc1ccc[n+](c1)C 62a_100000210206_100009996589 [0,0,0,0,0,1|2,0,1]=4 601 B11R1.157 CC(C)Sc1ccc[n+](c1)C 62a_100009996589_100000210206 [0,0,0,0,0,1|2,0,1]=4 602 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,0,0,0,0,1|2,0,0]=3 603 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [0,0,0,0,0,1|3,0,0]=4 604 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [0,0,0,0,0,1|3,0,0]=4 605 B11R1.157 NC(=O)Nc1cccc(c1)O 271570a_203496583355_100000238923 [0,0,0,0,0,1|3,0,0]=4 606 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [0,0,0,0,0,1|3,0,0]=4 607 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [0,0,0,0,0,1|3,0,0]=4 608 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [0,0,0,0,0,1|3,0,0]=4 609 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [0,0,0,0,0,1|3,0,0]=4 610 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [0,0,0,0,0,1|3,0,0]=4 611 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|2,0,0]=4 612 B8R1.2 C=Cc1cccnc1 271570a_100011290941_100000752921 [2,0,0,0,0,0|1,0,1]=4 613 B8R1.4 C[n+]1cccc(c1)O 271570a_203496583355_100009996589 [2,0,0,0,0,0|0,0,1]=3 614 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [2,0,0,0,0,0|1,0,1]=4 615 B8R1.4 [O-][n+]1cccc(c1)O 271570a_203496583355_100009815978 [2,0,0,0,0,0|1,0,1]=4 616 B10R1.2 C=Cc1cccc(c1C)C 271570a_100011290941_100011214922 [1,1,0,0,0,0|2,0,0]=4 617 B10R1.2 C=Cc1cccc(c1Cl)C 271570a_100011290941_200012352035 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.2 C=Cc1cccc(c1F)C 271570a_100011290941_100000717567 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.2 C=Cc1cccc(c1N)C 271570a_100011290941_100011834072 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.2 C=Cc1cccc(c1O)C 271570a_100011290941_100009817157 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.2 C=Cc1cccn(c1=O)C 271570a_100011290941_100000687173 [1,1,0,0,0,0|1,0,1]=4 622 B10R1.2 Cc1c(cccc1C=O)O 271570a_203496583355_100012179384 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.2 Nc1c(cccc1C=O)O 271570a_203496583355_100010144990 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.2 O=Cc1cccc(c1F)O 271570a_203496583355_100000766533 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.2 O=Cc1cccc(c1O)F 271570a_203496583355_100011998484 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100000737635 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100009816417 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.8 C=Cc1cc(cc(c1)C)C 271570a_100011290941_100011215608 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.8 C=Cc1cc(cc(c1)Cl)C 271570a_100011290941_100010172791 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.8 C=Cc1cc(cc(c1)F)C 271570a_100011290941_100011356977 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.8 C=Cc1cc(cc(c1)N)C 271570a_100011290941_100000695972 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.8 C=Cc1cc(cc(c1)O)C 271570a_100011290941_100011999630 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.8 Cc1cc(cc(c1)C=O)O 271570a_203496583355_100000686105 [1,1,0,0,0,0|1,0,0]=3 634 B10R1.8 Cc1cc(cc(n1)C=O)O 271570a_203496583355_100009814795 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.8 O=Cc1cc(cc(c1)Br)O 271570a_203496583355_100010185649 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.8 O=Cc1cc(cc(c1)F)O 271570a_203496583355_100011794424 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.8 O=Cc1cc(cc(c1)O)O 271570a_203496583355_100010176088 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.10 C=C=Cc1ccc[n+](c1)C 271570a_100015277604_100009996589 [1,1,0,0,0,0|1,0,0]=3 639 B10R1.10 C=C=Cc1ccc[n+](c1)[O-] 271570a_100015277604_100009815978 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.10 C=C=Cc1cccc(c1)C 271570a_100015277604_100011215228 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.10 CC=Cc1ccc[n+](c1)C 271570a_100016259895_100009996589 [1,1,0,0,0,0|1,0,0]=3 642 B10R1.10 CC=Cc1ccc[n+](c1)[O-] 271570a_100016259895_100009815978 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.10 CCSc1ccc[n+](c1)C 62a_100000210202_100009996589 [1,1,0,0,0,0|1,0,1]=4 645 B10R1.10 CCSc1ccc[n+](c1)C 62a_100009996589_100000210202 [1,1,0,0,0,0|1,0,1]=4 646 B10R1.10 C[n+]1cccc(c1)SCF 62a_100009996589_100015361967 [1,1,0,0,0,0|1,0,1]=4 647 B10R1.10 C[n+]1cccc(c1)SCF 62a_100015361967_100009996589 [1,1,0,0,0,0|1,0,1]=4 648 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.30 C=Cc1cc(ccc1Br)C 271570a_100011290941_100012353751 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.30 C=Cc1cc(ccc1C)C 271570a_100011290941_100000210833 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.30 C=Cc1cc(ccc1Cl)C 271570a_100011290941_100012356289 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.30 C=Cc1cc(ccc1F)C 271570a_100011290941_100000736223 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.30 C=Cc1cc(ccc1N)C 271570a_100011290941_100000210942 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.30 C=Cc1cc(ccc1O)C 271570a_100011290941_100000765521 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.30 C=Cc1cn(ccc1=O)C 271570a_100011290941_100010750718 [1,1,0,0,0,0|1,0,1]=4 656 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [1,1,0,0,0,0|1,0,0]=3 657 B10R1.30 Cc1ccc(c(n1)C=O)O 271570a_203496583355_100010173661 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.30 Cc1ccc(cc1C=O)O 271570a_203496583355_100011361606 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.30 Cc1cnc(c(c1)C=O)O 271570a_203496583355_100000050350 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.30 Nc1ccc(cc1C=O)O 271570a_203496583355_100011935258 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.30 O=Cc1cc(ccc1Br)O 271570a_203496583355_100010185652 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.30 O=Cc1cc(ccc1Cl)O 271570a_203496583355_100010254384 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.30 O=Cc1cc(ccc1F)O 271570a_203496583355_100000211465 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.30 O=Cc1cc(ccc1O)Br 271570a_203496583355_100010185651 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.30 O=Cc1cc(ccc1O)Cl 271570a_203496583355_100010254386 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.30 O=Cc1cc(ccc1O)F 271570a_203496583355_100011218309 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000186750 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000690577 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [1,1,0,0,0,0|1,0,1]=4 670 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.172 C=Cc1cccc(c1)CF 271570a_100011290941_100010878472 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.172 C=Cc1cccc(c1)CN 271570a_100011290941_100000106179 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [1,1,0,0,0,0|2,0,0]=4 682 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [1,1,0,0,0,0|2,0,0]=4 686 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.172 CC[n+]1cccc(c1)OC 34a_100000731997_200000210301 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.172 CC[n+]1cccc(c1)OC 7a_100000731997_200000210301 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.172 CC[n+]1cccc(c1)O[13CH3] 34a_100000731997_200025704644 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.172 CC[n+]1cccc(c1)O[13CH3] 7a_100000731997_200025704644 [1,1,0,0,0,0|2,0,0]=4 691 B10R1.172 CSc1cc(ccn1)C=O 62a_100011290808_200000210301 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.172 CSc1cc(ccn1)C=O 62a_200000210301_100011290808 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.172 CSc1cccc(c1)C=O 62a_100000014684_200000210301 [1,1,0,0,0,0|1,0,0]=3 694 B10R1.172 CSc1cccc(c1)C=O 62a_200000210301_100000014684 [1,1,0,0,0,0|1,0,0]=3 695 B10R1.172 CSc1cccc(n1)C=O 62a_100000688028_200000210301 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.172 CSc1cccc(n1)C=O 62a_200000210301_100000688028 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.172 CSc1ccnc(c1)C=O 62a_100011998288_200000210301 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.172 CSc1ccnc(c1)C=O 62a_200000210301_100011998288 [1,1,0,0,0,0|2,0,0]=4 699 B10R1.172 CSc1cncc(c1)C=O 62a_100000687066_200000210301 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.172 CSc1cncc(c1)C=O 62a_200000210301_100000687066 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_100011290808_200025704644 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_200025704644_100011290808 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_100000014684_200025704644 [1,1,0,0,0,0|1,0,0]=3 704 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_200025704644_100000014684 [1,1,0,0,0,0|1,0,0]=3 705 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_100000688028_200025704644 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_200025704644_100000688028 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_100011998288_200025704644 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_200025704644_100011998288 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_100000687066_200025704644 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_200025704644_100000687066 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.176 C=Cc1ccc(=O)n(c1)C 271570a_100011290941_100011245003 [1,1,0,0,0,0|1,0,1]=4 712 B10R1.176 C=Cc1ccc([n+](c1)[O-])C 271570a_100011290941_100000703231 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.176 C=Cc1ccc(c(c1)C)Br 271570a_100011290941_100009813585 [1,1,0,0,0,0|2,0,0]=4 714 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [1,1,0,0,0,0|2,0,0]=4 715 B10R1.176 C=Cc1ccc(c(c1)C)Cl 271570a_100011290941_100000049509 [1,1,0,0,0,0|2,0,0]=4 716 B10R1.176 C=Cc1ccc(c(c1)C)F 271570a_100011290941_100011218330 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.176 C=Cc1ccc(c(c1)C)N 271570a_100011290941_100000211769 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [1,1,0,0,0,0|1,0,0]=3 720 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.176 Cc1cc(ncc1O)C=O 271570a_203496583355_100009814806 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [1,1,0,0,0,0|2,0,0]=4 723 B10R1.176 Cc1nc(ccc1O)C=O 271570a_203496583355_100010238520 [1,1,0,0,0,0|2,0,0]=4 724 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [1,1,0,0,0,0|2,0,0]=4 726 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [1,1,0,0,0,0|2,0,0]=4 727 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,1,0,0,0,0|2,0,0]=4 735 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,1,0,0,0,0|2,0,0]=4 737 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,1,0,0,0,0|1,0,1]=4 738 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [1,1,0,0,0,0|1,0,1]=4 741 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,1,0,0,0,0|2,0,0]=4 745 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,1,0,0,0,0|2,0,0]=4 746 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [1,1,0,0,0,0|2,0,0]=4 747 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [1,1,0,0,0,0|2,0,0]=4 748 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [1,1,0,0,0,0|2,0,0]=4 751 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [1,1,0,0,0,0|2,0,0]=4 752 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,1,0,0,0,0|2,0,0]=4 753 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,1,0,0,0,0|2,0,0]=4 754 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,1,0,0,0,0|2,0,0]=4 755 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,1,0,0,0,0|2,0,0]=4 756 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,1,0,0,0,0|2,0,0]=4 757 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,1,0,0,0,0|2,0,0]=4 758 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,1,0,0,0,0|2,0,0]=4 759 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,1,0,0,0,0|2,0,0]=4 760 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [1,1,0,0,0,0|1,0,1]=4 761 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [1,1,0,0,0,0|1,0,1]=4 762 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [1,1,0,0,0,0|1,0,1]=4 765 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [1,1,0,0,0,0|1,0,1]=4 766 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,1,0,0,0,0|2,0,0]=4 768 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,1,0,0,0,0|2,0,0]=4 769 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,1,0,0,0,0|2,0,0]=4 771 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,1,0,0,0,0|2,0,0]=4 772 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100000070787_100000727479 [0,1,0,0,0,1|2,0,0]=4 773 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Br 1458a_100012340274_200000210301 [0,1,0,0,0,1|2,0,0]=4 774 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000070787_100000742320 [0,1,0,0,0,1|2,0,0]=4 775 B12R1.19 CC(=O)Cc1ccc(c(c1)C)C 1458a_100000184070_200000210301 [0,1,0,0,0,1|2,0,0]=4 776 B12R1.19 CC(=O)Cc1ccc(c(c1)C)Cl 1458a_100000070787_100012184735 [0,1,0,0,0,1|2,0,0]=4 777 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100000070787_100011216667 [0,1,0,0,0,1|2,0,0]=4 778 B12R1.19 CC(=O)Cc1ccc(c(c1)C)F 1458a_100011667458_200000210301 [0,1,0,0,0,1|2,0,0]=4 779 B12R1.19 CC(=O)Cc1ccc(c(c1)C)O 1458a_100000083968_200000210301 [0,1,0,0,0,1|2,0,0]=4 780 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 11a_100000210723_100015343762 [0,1,0,0,0,1|2,0,0]=4 781 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 1626a_100000210723_100015343762 [0,1,0,0,0,1|2,0,0]=4 782 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 22a_100000210723_100000070787 [0,1,0,0,0,1|2,0,0]=4 783 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Br 527a_100000210723_100103153847 [0,1,0,0,0,1|2,0,0]=4 784 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 11a_100000724040_100015343762 [0,1,0,0,0,1|2,0,0]=4 785 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 1626a_100000724040_100015343762 [0,1,0,0,0,1|2,0,0]=4 786 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 22a_100000724040_100000070787 [0,1,0,0,0,1|2,0,0]=4 787 B12R1.19 CC(=O)Nc1ccc(c(c1)C)C 527a_100000724040_100103153847 [0,1,0,0,0,1|2,0,0]=4 788 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 11a_100000187808_100015343762 [0,1,0,0,0,1|2,0,0]=4 789 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 1626a_100000187808_100015343762 [0,1,0,0,0,1|2,0,0]=4 790 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 22a_100000187808_100000070787 [0,1,0,0,0,1|2,0,0]=4 791 B12R1.19 CC(=O)Nc1ccc(c(c1)C)Cl 527a_100000187808_100103153847 [0,1,0,0,0,1|2,0,0]=4 792 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 11a_100000750164_100015343762 [0,1,0,0,0,1|2,0,0]=4 793 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 1626a_100000750164_100015343762 [0,1,0,0,0,1|2,0,0]=4 794 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 22a_100000750164_100000070787 [0,1,0,0,0,1|2,0,0]=4 795 B12R1.19 CC(=O)Nc1ccc(c(c1)C)F 527a_100000750164_100103153847 [0,1,0,0,0,1|2,0,0]=4 796 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 11a_100000198070_100015343762 [0,1,0,0,0,1|2,0,0]=4 797 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 1626a_100000198070_100015343762 [0,1,0,0,0,1|2,0,0]=4 798 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 22a_100000198070_100000070787 [0,1,0,0,0,1|2,0,0]=4 799 B12R1.19 CC(=O)Nc1ccc(c(c1)C)I 527a_100000198070_100103153847 [0,1,0,0,0,1|2,0,0]=4 800 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 11a_100011218179_100015343762 [0,1,0,0,0,1|2,0,0]=4 801 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 22a_100011218179_100000070787 [0,1,0,0,0,1|2,0,0]=4 802 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 271570a_203496583355_100000155607 [0,1,0,0,0,1|2,0,0]=4 803 B12R1.19 CC(=O)Nc1ccc(c(c1)C)O 527a_100011218179_100103153847 [0,1,0,0,0,1|2,0,0]=4 804 B12R1.19 Cc1cc(ccc1Br)CC(=O)[13CH3] 1458a_100012340274_200025704644 [0,1,0,0,0,1|2,0,0]=4 805 B12R1.19 Cc1cc(ccc1F)CC(=O)[13CH3] 1458a_100011667458_200025704644 [0,1,0,0,0,1|2,0,0]=4 806 B12R1.19 Cc1cc(ccc1O)CC(=O)[13CH3] 1458a_100000083968_200025704644 [0,1,0,0,0,1|2,0,0]=4 807 B12R1.19 Cc1cc(ccc1O)NC(=O)N 271570a_203496583355_100000238934 [0,1,0,0,0,1|2,0,0]=4 808 B12R1.19 Cc1ccc(cc1C)CC(=O)[13CH3] 1458a_100000184070_200025704644 [0,1,0,0,0,1|2,0,0]=4 809 B12R1.50 C#CC(=O)Cc1cccc(c1)C 1458a_100000211873_100000211840 [0,1,0,0,0,1|2,0,0]=4 810 B12R1.50 C=CC(=O)Cc1cccc(c1)C 1458a_100000185746_100000211840 [0,1,0,0,0,1|2,0,0]=4 811 B12R1.50 C=CC(=O)Nc1cccc(c1)C 1626a_100000188690_100000185746 [0,1,0,0,0,1|2,0,0]=4 812 B12R1.50 C=CC(=O)Nc1cccc(c1)C 22a_100000188690_100000185746 [0,1,0,0,0,1|2,0,0]=4 813 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100000210414_100000211840 [0,1,0,0,0,1|2,0,0]=4 814 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210202 [0,1,0,0,0,1|2,0,0]=4 815 B12R1.50 CCC(=O)Nc1cccc(c1)C 11a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 816 B12R1.50 CCC(=O)Nc1cccc(c1)C 1626a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 817 B12R1.50 CCC(=O)Nc1cccc(c1)C 22a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 818 B12R1.50 CCC(=O)Nc1cccc(c1)C 527a_100000188690_100000210414 [0,1,0,0,0,1|2,0,0]=4 819 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [0,1,0,0,0,1|2,0,0]=4 820 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [0,1,0,0,0,1|2,0,0]=4 821 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [0,1,0,0,0,1|2,0,0]=4 822 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [0,1,0,0,0,1|2,0,0]=4 823 B12R1.50 CNC(=O)Nc1cccc(c1)C 2430a_100000188690_100102657272 [0,1,0,0,0,1|2,0,0]=4 824 B12R1.50 CNC(=O)Nc1cccc(c1)C 512a_100000188690_100102657272 [0,1,0,0,0,1|2,0,0]=4 825 B12R1.50 Cc1cccc(c1)CC(=O)CF 1458a_100011206899_100015361967 [0,1,0,0,0,1|2,0,0]=4 826 B12R1.50 Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211840 [0,1,0,0,0,1|1,0,1]=4 827 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [0,1,0,0,0,1|1,0,1]=4 828 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [0,1,0,0,0,1|1,0,1]=4 829 B12R1.101 CC(=O)Cc1cc(cc(c1)Br)C 1458a_100000070787_100012348363 [0,1,0,0,0,1|2,0,0]=4 830 B12R1.101 CC(=O)Cc1cc(cc(c1)C)C 1458a_100000070787_100000181317 [0,1,0,0,0,1|2,0,0]=4 831 B12R1.101 CC(=O)Cc1cc(cc(c1)C)C 1458a_100011202310_200000210301 [0,1,0,0,0,1|2,0,0]=4 832 B12R1.101 CC(=O)Cc1cc(cc(c1)F)C 1458a_100000070787_100011219130 [0,1,0,0,0,1|2,0,0]=4 833 B12R1.101 CC(=O)Cc1cc(cc(c1)F)C 1458a_100011216671_200000210301 [0,1,0,0,0,1|2,0,0]=4 834 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 11a_100000695972_100015343762 [0,1,0,0,0,1|2,0,0]=4 835 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 1626a_100000695972_100015343762 [0,1,0,0,0,1|2,0,0]=4 836 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 22a_100000695972_100000070787 [0,1,0,0,0,1|2,0,0]=4 837 B12R1.101 CC(=O)Nc1cc(cc(c1)Br)C 527a_100000695972_100103153847 [0,1,0,0,0,1|2,0,0]=4 838 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 11a_100000210930_100015343762 [0,1,0,0,0,1|2,0,0]=4 839 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 1626a_100000210930_100015343762 [0,1,0,0,0,1|2,0,0]=4 840 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 22a_100000210930_100000070787 [0,1,0,0,0,1|2,0,0]=4 841 B12R1.101 CC(=O)Nc1cc(cc(c1)C)C 527a_100000210930_100103153847 [0,1,0,0,0,1|2,0,0]=4 842 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 11a_100012022512_100015343762 [0,1,0,0,0,1|2,0,0]=4 843 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 1626a_100012022512_100015343762 [0,1,0,0,0,1|2,0,0]=4 844 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)C 22a_100012022512_100000070787 [0,1,0,0,0,1|2,0,0]=4 845 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 11a_100000742734_100015343762 [0,1,0,0,0,1|2,0,0]=4 846 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 1626a_100000742734_100015343762 [0,1,0,0,0,1|2,0,0]=4 847 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 22a_100000742734_100000070787 [0,1,0,0,0,1|2,0,0]=4 848 B12R1.101 CC(=O)Nc1cc(cc(c1)F)C 527a_100000742734_100103153847 [0,1,0,0,0,1|2,0,0]=4 849 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 1626a_100011995906_100015343762 [0,1,0,0,0,1|2,0,0]=4 850 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 22a_100011995906_100000070787 [0,1,0,0,0,1|2,0,0]=4 851 B12R1.101 CC(=O)Nc1cc(cc(c1)O)C 527a_100011995906_100103153847 [0,1,0,0,0,1|2,0,0]=4 852 B12R1.101 Cc1cc(cc(c1)CC(=O)[13CH3])C 1458a_100011202310_200025704644 [0,1,0,0,0,1|2,0,0]=4 853 B12R1.101 Cc1cc(cc(c1)CC(=O)[13CH3])F 1458a_100011216671_200025704644 [0,1,0,0,0,1|2,0,0]=4 854 B12R1.127 CC(=O)Cc1cc(ccc1Br)C 1458a_100010004923_200000210301 [0,1,0,0,0,1|2,0,0]=4 855 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000070787_100000184699 [0,1,0,0,0,1|2,0,0]=4 856 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000749331_200000210301 [0,1,0,0,0,1|2,0,0]=4 857 B12R1.127 CC(=O)Cc1cc(ccc1Cl)C 1458a_100000070787_100009871730 [0,1,0,0,0,1|2,0,0]=4 858 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100000070787_100011260760 [0,1,0,0,0,1|2,0,0]=4 859 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100011667363_200000210301 [0,1,0,0,0,1|2,0,0]=4 860 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 11a_100000745044_100015343762 [0,1,0,0,0,1|2,0,0]=4 861 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 1626a_100000745044_100015343762 [0,1,0,0,0,1|2,0,0]=4 862 B12R1.127 CC(=O)Nc1cc(ccc1C)C 11a_100000185781_100015343762 [0,1,0,0,0,1|2,0,0]=4 863 B12R1.127 CC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100015343762 [0,1,0,0,0,1|2,0,0]=4 864 B12R1.127 CC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000070787 [0,1,0,0,0,1|2,0,0]=4 865 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 11a_100011215360_100015343762 [0,1,0,0,0,1|2,0,0]=4 866 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 1626a_100011215360_100015343762 [0,1,0,0,0,1|2,0,0]=4 867 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 22a_100011215360_100000070787 [0,1,0,0,0,1|2,0,0]=4 868 B12R1.127 CC(=O)Nc1cc(ccc1F)C 11a_100000211285_100015343762 [0,1,0,0,0,1|2,0,0]=4 869 B12R1.127 CC(=O)Nc1cc(ccc1F)C 1626a_100000211285_100015343762 [0,1,0,0,0,1|2,0,0]=4 870 B12R1.127 CC(=O)Nc1cc(ccc1F)C 22a_100000211285_100000070787 [0,1,0,0,0,1|2,0,0]=4 871 B12R1.127 CC(=O)Nc1cc(ccc1F)C 527a_100000211285_100103153847 [0,1,0,0,0,1|2,0,0]=4 872 B12R1.127 CC(=O)Nc1cc(ccc1I)C 11a_100011216686_100015343762 [0,1,0,0,0,1|2,0,0]=4 873 B12R1.127 CC(=O)Nc1cc(ccc1I)C 1626a_100011216686_100015343762 [0,1,0,0,0,1|2,0,0]=4 874 B12R1.127 CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000070787 [0,1,0,0,0,1|2,0,0]=4 875 B12R1.127 CC(=O)Nc1cc(ccc1O)C 271570a_203496583355_100000182586 [0,1,0,0,0,1|2,0,0]=4 876 B12R1.127 CC(=O)Nc1cc(ccc1O)C 527a_100011215204_100103153847 [0,1,0,0,0,1|2,0,0]=4 877 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])Br 1458a_100010004923_200025704644 [0,1,0,0,0,1|2,0,0]=4 878 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])C 1458a_100000749331_200025704644 [0,1,0,0,0,1|2,0,0]=4 879 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])F 1458a_100011667363_200025704644 [0,1,0,0,0,1|2,0,0]=4 880 B12R1.224 CC(=O)Cc1cccc(c1Br)C 1458a_100000070787_200012349612 [0,1,0,0,0,1|2,0,0]=4 881 B12R1.224 CC(=O)Cc1cccc(c1Br)C 1458a_100010147021_200000210301 [0,1,0,0,0,1|2,0,0]=4 882 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100000070787_100011515928 [0,1,0,0,0,1|2,0,0]=4 883 B12R1.224 CC(=O)Cc1cccc(c1C)C 1458a_100011698479_200000210301 [0,1,0,0,0,1|2,0,0]=4 884 B12R1.224 CC(=O)Cc1cccc(c1F)C 1458a_100000070787_100011216058 [0,1,0,0,0,1|2,0,0]=4 885 B12R1.224 CC(=O)Nc1cccc(c1Br)C 11a_100000684715_100015343762 [0,1,0,0,0,1|2,0,0]=4 886 B12R1.224 CC(=O)Nc1cccc(c1Br)C 1626a_100000684715_100015343762 [0,1,0,0,0,1|2,0,0]=4 887 B12R1.224 CC(=O)Nc1cccc(c1Br)C 22a_100000684715_100000070787 [0,1,0,0,0,1|2,0,0]=4 888 B12R1.224 CC(=O)Nc1cccc(c1C)C 11a_100000210026_100015343762 [0,1,0,0,0,1|2,0,0]=4 889 B12R1.224 CC(=O)Nc1cccc(c1C)C 1626a_100000210026_100015343762 [0,1,0,0,0,1|2,0,0]=4 890 B12R1.224 CC(=O)Nc1cccc(c1C)C 22a_100000210026_100000070787 [0,1,0,0,0,1|2,0,0]=4 891 B12R1.224 CC(=O)Nc1cccc(c1C)C 527a_100000210026_100103153847 [0,1,0,0,0,1|2,0,0]=4 892 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 11a_100000765562_100015343762 [0,1,0,0,0,1|2,0,0]=4 893 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 1626a_100000765562_100015343762 [0,1,0,0,0,1|2,0,0]=4 894 B12R1.224 CC(=O)Nc1cccc(c1Cl)C 22a_100000765562_100000070787 [0,1,0,0,0,1|2,0,0]=4 895 B12R1.224 CC(=O)Nc1cccc(c1F)C 11a_100000697159_100015343762 [0,1,0,0,0,1|2,0,0]=4 896 B12R1.224 CC(=O)Nc1cccc(c1F)C 1626a_100000697159_100015343762 [0,1,0,0,0,1|2,0,0]=4 897 B12R1.224 CC(=O)Nc1cccc(c1F)C 527a_100000697159_100103153847 [0,1,0,0,0,1|2,0,0]=4 898 B12R1.224 CC(=O)Nc1cccc(c1I)C 11a_100000761888_100015343762 [0,1,0,0,0,1|2,0,0]=4 899 B12R1.224 CC(=O)Nc1cccc(c1I)C 1626a_100000761888_100015343762 [0,1,0,0,0,1|2,0,0]=4 900 B12R1.224 CC(=O)Nc1cccc(c1O)C 11a_100000756359_100015343762 [0,1,0,0,0,1|2,0,0]=4 901 B12R1.224 CC(=O)Nc1cccc(c1O)C 1626a_100000756359_100015343762 [0,1,0,0,0,1|2,0,0]=4 902 B12R1.224 CC(=O)Nc1cccc(c1O)C 22a_100000756359_100000070787 [0,1,0,0,0,1|2,0,0]=4 903 B12R1.224 CC(=O)Nc1cccc(c1O)C 527a_100000756359_100103153847 [0,1,0,0,0,1|2,0,0]=4 904 B12R1.224 Cc1cccc(c1Br)CC(=O)[13CH3] 1458a_100010147021_200025704644 [0,1,0,0,0,1|2,0,0]=4 905 B12R1.224 Cc1cccc(c1C)CC(=O)[13CH3] 1458a_100011698479_200025704644 [0,1,0,0,0,1|2,0,0]=4 906 B12R1.224 Cc1cccc(c1O)CC(=O)N 271570a_203496583355_100011096275 [0,1,0,0,0,1|2,0,0]=4 907 B12R1.225 CC(=C(C)c1ccc[n+](c1)C)C 271570a_200000049429_100009996589 [0,1,0,0,0,1|2,0,0]=4 908 B12R1.225 CC(=O)C(O)c1cccc(c1)C 1458a_100011434945_200000210301 [0,1,0,0,0,1|2,0,0]=4 909 B12R1.225 CC(=O)N(C)c1cccc(c1)C 11a_100000219674_100015343762 [0,1,0,0,0,1|2,0,0]=4 910 B12R1.225 CC(=O)N(C)c1cccc(c1)C 1626a_100000219674_100015343762 [0,1,0,0,0,1|2,0,0]=4 911 B12R1.225 CC(=O)N(C)c1cccc(c1)C 22a_100000219674_100000070787 [0,1,0,0,0,1|2,0,0]=4 912 B12R1.225 CC(=O)[C@H](C)c1cccc(c1)C 1458a_200009911544_200000210301 [0,1,0,0,0,1|2,0,0]=4 913 B12R1.225 Cc1cccc(c1)C(O)C(=O)[13CH3] 1458a_100011434945_200025704644 [0,1,0,0,0,1|2,0,0]=4 914 B12R1.225 Cc1cccc(c1)[C@@H](C)C(=O)[13CH3] 1458a_200009911544_200025704644 [0,1,0,0,0,1|2,0,0]=4 915 B12R1.438 CC(=O)Cc1cccc(c1)CO 1458a_100000070787_100010188025 [0,1,0,0,0,1|2,0,0]=4 916 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_100000689217_200025704644 [0,1,0,0,0,1|2,0,0]=4 917 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000689217 [0,1,0,0,0,1|2,0,0]=4 918 B12R1.438 CC(=O)Nc1cccc(c1)CF 11a_100000126320_100015343762 [0,1,0,0,0,1|2,0,0]=4 919 B12R1.438 CC(=O)Nc1cccc(c1)CF 1626a_100000126320_100015343762 [0,1,0,0,0,1|2,0,0]=4 920 B12R1.438 CC(=O)Nc1cccc(c1)CF 22a_100000126320_100000070787 [0,1,0,0,0,1|2,0,0]=4 921 B12R1.438 CC(=O)Nc1cccc(c1)CF 527a_100000126320_100103153847 [0,1,0,0,0,1|2,0,0]=4 922 B12R1.438 CC(=O)Nc1cccc(c1)CO 22a_100000211919_100000070787 [0,1,0,0,0,1|2,0,0]=4 923 B12R1.438 CC(=O)Nc1cccc(c1)N[13CH3] 34a_100000749408_200025704644 [0,1,0,0,0,1|2,0,0]=4 924 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158604_200025704644 [0,1,0,0,0,1|2,0,0]=4 925 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158604_200025704644 [0,1,0,0,0,1|2,0,0]=4 926 B12R1.438 CC(=O)Nc1cccc(c1)S[13CH3] 62a_200025704644_100000153616 [0,1,0,0,0,1|2,0,0]=4 927 B12R1.438 CC(=O)Oc1cccc(c1)O[13CH3] 7a_100011218754_200025704644 [0,1,0,0,0,1|2,0,0]=4 928 B12R1.438 CC(=O)Oc1cccc(c1)S[13CH3] 62a_200025704644_100009811612 [0,1,0,0,0,1|2,0,0]=4 929 B12R1.438 CCc1cccc(c1)NC(=O)C 11a_100000211250_100015343762 [0,1,0,0,0,1|2,0,0]=4 930 B12R1.438 CCc1cccc(c1)NC(=O)C 1626a_100000211250_100015343762 [0,1,0,0,0,1|2,0,0]=4 931 B12R1.438 CCc1cccc(c1)NC(=O)C 22a_100000211250_100000070787 [0,1,0,0,0,1|2,0,0]=4 932 B12R1.438 CCc1cccc(c1)NC(=O)C 527a_100000211250_100103153847 [0,1,0,0,0,1|2,0,0]=4 933 B12R1.438 CNc1cccc(c1)CC(=O)N 2230a_200011690101_200000210301 [0,1,0,0,0,1|2,0,0]=4 934 B12R1.438 CNc1cccc(c1)CC(=O)N 34a_200011690101_200000210301 [0,1,0,0,0,1|2,0,0]=4 935 B12R1.438 CNc1cccc(c1)NC(=O)C 34a_100000749408_200000210301 [0,1,0,0,0,1|2,0,0]=4 936 B12R1.438 CNc1cccc(c1)NC(=O)N 34a_100000736001_200000210301 [0,1,0,0,0,1|2,0,0]=4 937 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000070787_100000211672 [0,1,0,0,0,1|2,0,0]=4 938 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000211281_200000210301 [0,1,0,0,0,1|2,0,0]=4 939 B12R1.438 COc1cccc(c1)CC(=O)N 34a_200000747573_200000210301 [0,1,0,0,0,1|2,0,0]=4 940 B12R1.438 COc1cccc(c1)CC(=O)N 7a_200000747573_200000210301 [0,1,0,0,0,1|2,0,0]=4 941 B12R1.438 COc1cccc(c1)CC(=O)[13CH3] 1458a_100000211281_200025704644 [0,1,0,0,0,1|2,0,0]=4 942 B12R1.438 COc1cccc(c1)NC(=O)C 11a_100000210024_100015343762 [0,1,0,0,0,1|2,0,0]=4 943 B12R1.438 COc1cccc(c1)NC(=O)C 1626a_100000210024_100015343762 [0,1,0,0,0,1|2,0,0]=4 944 B12R1.438 COc1cccc(c1)NC(=O)C 22a_100000210024_100000070787 [0,1,0,0,0,1|2,0,0]=4 945 B12R1.438 COc1cccc(c1)NC(=O)C 34a_100000158604_200000210301 [0,1,0,0,0,1|2,0,0]=4 946 B12R1.438 COc1cccc(c1)NC(=O)C 527a_100000210024_100103153847 [0,1,0,0,0,1|2,0,0]=4 947 B12R1.438 COc1cccc(c1)NC(=O)C 7a_100000158604_200000210301 [0,1,0,0,0,1|2,0,0]=4 948 B12R1.438 COc1cccc(c1)NC(=O)N 34a_100011219624_200000210301 [0,1,0,0,0,1|2,0,0]=4 949 B12R1.438 COc1cccc(c1)NC(=O)N 7a_100011219624_200000210301 [0,1,0,0,0,1|2,0,0]=4 950 B12R1.438 COc1cccc(c1)OC(=O)C 7a_100011218754_200000210301 [0,1,0,0,0,1|2,0,0]=4 951 B12R1.438 CSc1cccc(c1)CC(=O)C 1458a_100000035702_200000210301 [0,1,0,0,0,1|2,0,0]=4 952 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_100000689217_200000210301 [0,1,0,0,0,1|2,0,0]=4 953 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_200000210301_100000689217 [0,1,0,0,0,1|2,0,0]=4 954 B12R1.438 CSc1cccc(c1)CC(=O)N 62a_100011586816_200000210301 [0,1,0,0,0,1|2,0,0]=4 955 B12R1.438 CSc1cccc(c1)CC(=O)N 62a_200000210301_100011586816 [0,1,0,0,0,1|2,0,0]=4 956 B12R1.438 CSc1cccc(c1)CC(=O)[13CH3] 1458a_100000035702_200025704644 [0,1,0,0,0,1|2,0,0]=4 957 B12R1.438 CSc1cccc(c1)NC(=O)C 11a_100000210049_100015343762 [0,1,0,0,0,1|2,0,0]=4 958 B12R1.438 CSc1cccc(c1)NC(=O)C 1626a_100000210049_100015343762 [0,1,0,0,0,1|2,0,0]=4 959 B12R1.438 CSc1cccc(c1)NC(=O)C 22a_100000210049_100000070787 [0,1,0,0,0,1|2,0,0]=4 960 B12R1.438 CSc1cccc(c1)NC(=O)C 527a_100000210049_100103153847 [0,1,0,0,0,1|2,0,0]=4 961 B12R1.438 CSc1cccc(c1)NC(=O)C 62a_200000210301_100000153616 [0,1,0,0,0,1|2,0,0]=4 962 B12R1.438 CSc1cccc(c1)NC(=O)N 62a_200000210301_100000238923 [0,1,0,0,0,1|2,0,0]=4 963 B12R1.438 CSc1cccc(c1)OC(=O)C 62a_200000210301_100009811612 [0,1,0,0,0,1|2,0,0]=4 964 B12R1.438 [13CH3]Nc1cccc(c1)CC(=O)N 2230a_200011690101_200025704644 [0,1,0,0,0,1|2,0,0]=4 965 B12R1.438 [13CH3]Nc1cccc(c1)CC(=O)N 34a_200011690101_200025704644 [0,1,0,0,0,1|2,0,0]=4 966 B12R1.438 [13CH3]Nc1cccc(c1)NC(=O)N 34a_100000736001_200025704644 [0,1,0,0,0,1|2,0,0]=4 967 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 34a_200000747573_200025704644 [0,1,0,0,0,1|2,0,0]=4 968 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 7a_200000747573_200025704644 [0,1,0,0,0,1|2,0,0]=4 969 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 34a_100011219624_200025704644 [0,1,0,0,0,1|2,0,0]=4 970 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 7a_100011219624_200025704644 [0,1,0,0,0,1|2,0,0]=4 971 B12R1.438 [13CH3]Sc1cccc(c1)CC(=O)N 62a_100011586816_200025704644 [0,1,0,0,0,1|2,0,0]=4 972 B12R1.438 [13CH3]Sc1cccc(c1)CC(=O)N 62a_200025704644_100011586816 [0,1,0,0,0,1|2,0,0]=4 973 B12R1.438 [13CH3]Sc1cccc(c1)NC(=O)N 62a_200025704644_100000238923 [0,1,0,0,0,1|2,0,0]=4 974 B12R1.48 C#Cc1ccc(cc1C)C(=O)C 1458a_100013243528_200000210301 [0,2,0,0,0,0|2,0,0]=4 975 B12R1.48 C#Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100013243528_200025704644 [0,2,0,0,0,0|2,0,0]=4 976 B12R1.48 C=Cc1ccc(cc1C)C(=O)C 271570a_100011290941_100000697869 [0,2,0,0,0,0|2,0,0]=4 977 B12R1.48 C=Cc1ccc(cc1C)C(=O)N 271570a_100011290941_100011218126 [0,2,0,0,0,0|2,0,0]=4 978 B12R1.48 CC(=O)c1ccc(c(c1)C)C#N 1458a_100012180287_200000210301 [0,2,0,0,0,0|2,0,0]=4 979 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 34a_100000188726_200025704644 [0,2,0,0,0,0|2,0,0]=4 980 B12R1.48 CC(=O)c1ccc(c(c1)C)O[13CH3] 7a_100000188726_200025704644 [0,2,0,0,0,0|2,0,0]=4 981 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_100000697869_200025704644 [0,2,0,0,0,0|2,0,0]=4 982 B12R1.48 CC(=O)c1ccc(c(c1)C)S[13CH3] 62a_200025704644_100000697869 [0,2,0,0,0,0|2,0,0]=4 983 B12R1.48 CNc1ccc(cc1C)C(=O)N 27a_100102657272_100011218126 [0,2,0,0,0,0|2,0,0]=4 984 B12R1.48 CNc1ccc(cc1C)C(=O)N 34a_100000746439_200000210301 [0,2,0,0,0,0|2,0,0]=4 985 B12R1.48 CNc1ccc(cc1C)C(=O)N 7a_100000746439_200000210301 [0,2,0,0,0,0|2,0,0]=4 986 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 2230a_100000184110_200000210301 [0,2,0,0,0,0|2,0,0]=4 987 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 34a_100000184110_200000210301 [0,2,0,0,0,0|2,0,0]=4 988 B12R1.48 CNc1ccc(cc1C)[N+](=O)[O-] 7a_100000184110_200000210301 [0,2,0,0,0,0|2,0,0]=4 989 B12R1.48 COc1ccc(cc1C)C(=O)C 1458a_100011202886_200000210301 [0,2,0,0,0,0|2,0,0]=4 990 B12R1.48 COc1ccc(cc1C)C(=O)C 34a_100000188726_200000210301 [0,2,0,0,0,0|2,0,0]=4 991 B12R1.48 COc1ccc(cc1C)C(=O)C 7a_100000188726_200000210301 [0,2,0,0,0,0|2,0,0]=4 992 B12R1.48 COc1ccc(cc1C)C(=O)[13CH3] 1458a_100011202886_200025704644 [0,2,0,0,0,0|2,0,0]=4 993 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 34a_100000744956_200000210301 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.48 COc1ccc(cc1C)[N+](=O)[O-] 7a_100000744956_200000210301 [0,2,0,0,0,0|2,0,0]=4 995 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_100000697869_200000210301 [0,2,0,0,0,0|2,0,0]=4 996 B12R1.48 CSc1ccc(cc1C)C(=O)C 62a_200000210301_100000697869 [0,2,0,0,0,0|2,0,0]=4 997 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_100011218126_200000210301 [0,2,0,0,0,0|2,0,0]=4 998 B12R1.48 CSc1ccc(cc1C)C(=O)N 62a_200000210301_100011218126 [0,2,0,0,0,0|2,0,0]=4 999 B12R1.48 Cc1cc(ccc1C#N)C(=O)[13CH3] 1458a_100012180287_200025704644 [0,2,0,0,0,0|2,0,0]=4 1000 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 34a_100000746439_200025704644 [0,2,0,0,0,0|2,0,0]=4 1001 B12R1.48 Cc1cc(ccc1N[13CH3])C(=O)N 7a_100000746439_200025704644 [0,2,0,0,0,0|2,0,0]=4 1002 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 2230a_100000184110_200025704644 [0,2,0,0,0,0|2,0,0]=4 1003 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 34a_100000184110_200025704644 [0,2,0,0,0,0|2,0,0]=4 1004 B12R1.48 Cc1cc(ccc1N[13CH3])[N+](=O)[O-] 7a_100000184110_200025704644 [0,2,0,0,0,0|2,0,0]=4 1005 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 34a_100000744956_200025704644 [0,2,0,0,0,0|2,0,0]=4 1006 B12R1.48 Cc1cc(ccc1O[13CH3])[N+](=O)[O-] 7a_100000744956_200025704644 [0,2,0,0,0,0|2,0,0]=4 1007 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_100011218126_200025704644 [0,2,0,0,0,0|2,0,0]=4 1008 B12R1.48 Cc1cc(ccc1S[13CH3])C(=O)N 62a_200025704644_100011218126 [0,2,0,0,0,0|2,0,0]=4 1009 B12R1.56 CC(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200000210301 [0,2,0,0,0,0|2,0,0]=4 1010 B12R1.56 CC(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200000210301 [0,2,0,0,0,0|2,0,0]=4 1011 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [0,2,0,0,0,0|2,0,0]=4 1012 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [0,2,0,0,0,0|2,0,0]=4 1013 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [0,2,0,0,0,0|2,0,0]=4 1014 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [0,2,0,0,0,0|2,0,0]=4 1015 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100010146556_200025704644 [0,2,0,0,0,0|2,0,0]=4 1016 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100010146556 [0,2,0,0,0,0|2,0,0]=4 1017 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_100011934287_200025704644 [0,2,0,0,0,0|2,0,0]=4 1018 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100011934287 [0,2,0,0,0,0|2,0,0]=4 1019 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000239719_200025704644 [0,2,0,0,0,0|2,0,0]=4 1020 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000239719 [0,2,0,0,0,0|2,0,0]=4 1021 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])N 62a_100012029215_200025704644 [0,2,0,0,0,0|2,0,0]=4 1022 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [0,2,0,0,0,0|2,0,0]=4 1023 B12R1.56 CCc1cc(ccc1Br)C(=O)C 1458a_100010152358_200000210301 [0,2,0,0,0,0|2,0,0]=4 1024 B12R1.56 CCc1cc(ccc1Br)C(=O)[13CH3] 1458a_100010152358_200025704644 [0,2,0,0,0,0|2,0,0]=4 1025 B12R1.56 CCc1cc(ccc1Cl)C(=O)C 1458a_100000102533_200000210301 [0,2,0,0,0,0|2,0,0]=4 1026 B12R1.56 CCc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000102533_200025704644 [0,2,0,0,0,0|2,0,0]=4 1027 B12R1.56 CCc1cc(ccc1F)C(=O)C 1458a_100009883079_200000210301 [0,2,0,0,0,0|2,0,0]=4 1028 B12R1.56 CCc1cc(ccc1F)C(=O)[13CH3] 1458a_100009883079_200025704644 [0,2,0,0,0,0|2,0,0]=4 1029 B12R1.56 CNc1cc(ccc1C)C(=O)N 34a_100000188646_200000210301 [0,2,0,0,0,0|2,0,0]=4 1030 B12R1.56 CNc1cc(ccc1C)C(=O)N 7a_100000188646_200000210301 [0,2,0,0,0,0|2,0,0]=4 1031 B12R1.56 CNc1cc(ccc1C)[N+](=O)[O-] 34a_100000184112_200000210301 [0,2,0,0,0,0|2,0,0]=4 1032 B12R1.56 CNc1cc(ccc1C)[N+](=O)[O-] 7a_100000184112_200000210301 [0,2,0,0,0,0|2,0,0]=4 1033 B12R1.56 CNc1cc(ccc1Cl)C(=O)N 34a_100000736751_200000210301 [0,2,0,0,0,0|2,0,0]=4 1034 B12R1.56 CNc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000186089_200000210301 [0,2,0,0,0,0|2,0,0]=4 1035 B12R1.56 CNc1cc(ccc1F)C(=O)N 34a_100000740466_200000210301 [0,2,0,0,0,0|2,0,0]=4 1036 B12R1.56 CNc1cc(ccc1F)[N+](=O)[O-] 34a_100000185768_200000210301 [0,2,0,0,0,0|2,0,0]=4 1037 B12R1.56 CNc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200000210301 [0,2,0,0,0,0|2,0,0]=4 1038 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [0,2,0,0,0,0|2,0,0]=4 1039 B12R1.56 COc1cc(ccc1Br)C(=O)N 34a_100012344895_200000210301 [0,2,0,0,0,0|2,0,0]=4 1040 B12R1.56 COc1cc(ccc1Br)C(=O)N 7a_100012344895_200000210301 [0,2,0,0,0,0|2,0,0]=4 1041 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [0,2,0,0,0,0|2,0,0]=4 1042 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200000210301 [0,2,0,0,0,0|2,0,0]=4 1043 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200000210301 [0,2,0,0,0,0|2,0,0]=4 1044 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [0,2,0,0,0,0|2,0,0]=4 1045 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [0,2,0,0,0,0|2,0,0]=4 1046 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [0,2,0,0,0,0|2,0,0]=4 1047 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [0,2,0,0,0,0|2,0,0]=4 1048 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_200000210301 [0,2,0,0,0,0|2,0,0]=4 1049 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_200000210301 [0,2,0,0,0,0|2,0,0]=4 1050 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [0,2,0,0,0,0|2,0,0]=4 1051 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [0,2,0,0,0,0|2,0,0]=4 1052 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200000210301 [0,2,0,0,0,0|2,0,0]=4 1053 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200000210301 [0,2,0,0,0,0|2,0,0]=4 1054 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [0,2,0,0,0,0|2,0,0]=4 1055 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [0,2,0,0,0,0|2,0,0]=4 1056 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [0,2,0,0,0,0|2,0,0]=4 1057 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [0,2,0,0,0,0|2,0,0]=4 1058 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200000210301 [0,2,0,0,0,0|2,0,0]=4 1059 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200000210301 [0,2,0,0,0,0|2,0,0]=4 1060 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [0,2,0,0,0,0|2,0,0]=4 1061 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [0,2,0,0,0,0|2,0,0]=4 1062 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200000210301 [0,2,0,0,0,0|2,0,0]=4 1063 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200000210301 [0,2,0,0,0,0|2,0,0]=4 1064 B12R1.56 COc1cc(ccc1N)C(=O)N 34a_100011850428_200000210301 [0,2,0,0,0,0|2,0,0]=4 1065 B12R1.56 COc1cc(ccc1N)C(=O)N 7a_100011850428_200000210301 [0,2,0,0,0,0|2,0,0]=4 1066 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200000210301 [0,2,0,0,0,0|2,0,0]=4 1067 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200000210301 [0,2,0,0,0,0|2,0,0]=4 1068 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [0,2,0,0,0,0|2,0,0]=4 1069 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [0,2,0,0,0,0|2,0,0]=4 1070 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [0,2,0,0,0,0|2,0,0]=4 1071 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [0,2,0,0,0,0|2,0,0]=4 1072 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_100010146556_200000210301 [0,2,0,0,0,0|2,0,0]=4 1073 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_200000210301_100010146556 [0,2,0,0,0,0|2,0,0]=4 1074 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_100011934287_200000210301 [0,2,0,0,0,0|2,0,0]=4 1075 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_200000210301_100011934287 [0,2,0,0,0,0|2,0,0]=4 1076 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_100000186401_200000210301 [0,2,0,0,0,0|2,0,0]=4 1077 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_200000210301_100000186401 [0,2,0,0,0,0|2,0,0]=4 1078 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_100000239719_200000210301 [0,2,0,0,0,0|2,0,0]=4 1079 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_200000210301_100000239719 [0,2,0,0,0,0|2,0,0]=4 1080 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_100011202321_200000210301 [0,2,0,0,0,0|2,0,0]=4 1081 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_200000210301_100011202321 [0,2,0,0,0,0|2,0,0]=4 1082 B12R1.56 CSc1cc(ccc1N)C(=O)C 62a_100012029215_200000210301 [0,2,0,0,0,0|2,0,0]=4 1083 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [0,2,0,0,0,0|2,0,0]=4 1084 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 34a_100000188646_200025704644 [0,2,0,0,0,0|2,0,0]=4 1085 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 7a_100000188646_200025704644 [0,2,0,0,0,0|2,0,0]=4 1086 B12R1.56 Cc1ccc(cc1N[13CH3])[N+](=O)[O-] 34a_100000184112_200025704644 [0,2,0,0,0,0|2,0,0]=4 1087 B12R1.56 Cc1ccc(cc1N[13CH3])[N+](=O)[O-] 7a_100000184112_200025704644 [0,2,0,0,0,0|2,0,0]=4 1088 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000740739_200025704644 [0,2,0,0,0,0|2,0,0]=4 1089 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000740739_200025704644 [0,2,0,0,0,0|2,0,0]=4 1090 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_100000186401_200025704644 [0,2,0,0,0,0|2,0,0]=4 1091 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_200025704644_100000186401 [0,2,0,0,0,0|2,0,0]=4 1092 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200025704644 [0,2,0,0,0,0|2,0,0]=4 1093 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200025704644 [0,2,0,0,0,0|2,0,0]=4 1094 B12R1.56 [13CH3]Nc1cc(ccc1Cl)C(=O)N 34a_100000736751_200025704644 [0,2,0,0,0,0|2,0,0]=4 1095 B12R1.56 [13CH3]Nc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000186089_200025704644 [0,2,0,0,0,0|2,0,0]=4 1096 B12R1.56 [13CH3]Nc1cc(ccc1F)C(=O)N 34a_100000740466_200025704644 [0,2,0,0,0,0|2,0,0]=4 1097 B12R1.56 [13CH3]Nc1cc(ccc1F)[N+](=O)[O-] 34a_100000185768_200025704644 [0,2,0,0,0,0|2,0,0]=4 1098 B12R1.56 [13CH3]Nc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200025704644 [0,2,0,0,0,0|2,0,0]=4 1099 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 34a_100012344895_200025704644 [0,2,0,0,0,0|2,0,0]=4 1100 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 7a_100012344895_200025704644 [0,2,0,0,0,0|2,0,0]=4 1101 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200025704644 [0,2,0,0,0,0|2,0,0]=4 1102 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200025704644 [0,2,0,0,0,0|2,0,0]=4 1103 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200025704644 [0,2,0,0,0,0|2,0,0]=4 1104 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200025704644 [0,2,0,0,0,0|2,0,0]=4 1105 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200025704644 [0,2,0,0,0,0|2,0,0]=4 1106 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200025704644 [0,2,0,0,0,0|2,0,0]=4 1107 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200025704644 [0,2,0,0,0,0|2,0,0]=4 1108 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200025704644 [0,2,0,0,0,0|2,0,0]=4 1109 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 34a_100011850428_200025704644 [0,2,0,0,0,0|2,0,0]=4 1110 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 7a_100011850428_200025704644 [0,2,0,0,0,0|2,0,0]=4 1111 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200025704644 [0,2,0,0,0,0|2,0,0]=4 1112 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200025704644 [0,2,0,0,0,0|2,0,0]=4 1113 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_100011202321_200025704644 [0,2,0,0,0,0|2,0,0]=4 1114 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_200025704644_100011202321 [0,2,0,0,0,0|2,0,0]=4 1115 B12R1.232 CC(=O)c1cc(c(cc1Br)F)C 1458a_100010204433_200000210301 [0,2,0,0,0,0|2,0,0]=4 1116 B12R1.232 CC(=O)c1cc(c(cc1C)Br)C 1458a_100000695896_200000210301 [0,2,0,0,0,0|2,0,0]=4 1117 B12R1.232 CC(=O)c1cc(c(cc1C)C)C 1458a_100011216168_200000210301 [0,2,0,0,0,0|2,0,0]=4 1118 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)C 1458a_100000687843_200000210301 [0,2,0,0,0,0|2,0,0]=4 1119 B12R1.232 CC(=O)c1cc(c(cc1F)Br)C 1458a_100012354683_200000210301 [0,2,0,0,0,0|2,0,0]=4 1120 B12R1.232 CC(=O)c1cc(c(cc1F)F)C 1458a_100000767126_200000210301 [0,2,0,0,0,0|2,0,0]=4 1121 B12R1.232 CC(=O)c1cc(c(cc1I)C)C 1458a_100010184404_200000210301 [0,2,0,0,0,0|2,0,0]=4 1122 B12R1.232 CC(=O)c1cc(c(cc1O)C)C 1458a_100009831561_200000210301 [0,2,0,0,0,0|2,0,0]=4 1123 B12R1.232 CC(=O)c1cc(c(cc1O)O)C 271570a_203496583355_100009816031 [0,2,0,0,0,0|2,0,0]=4 1124 B12R1.232 Cc1cc(c(cc1Br)C)C(=O)[13CH3] 1458a_100000695896_200025704644 [0,2,0,0,0,0|2,0,0]=4 1125 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)[13CH3] 1458a_100012354683_200025704644 [0,2,0,0,0,0|2,0,0]=4 1126 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])C 1458a_100011216168_200025704644 [0,2,0,0,0,0|2,0,0]=4 1127 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])I 1458a_100010184404_200025704644 [0,2,0,0,0,0|2,0,0]=4 1128 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])O 1458a_100009831561_200025704644 [0,2,0,0,0,0|2,0,0]=4 1129 B12R1.232 Cc1cc(c(cc1F)Br)C(=O)[13CH3] 1458a_100010204433_200025704644 [0,2,0,0,0,0|2,0,0]=4 1130 B12R1.232 Cc1cc(c(cc1F)Cl)C(=O)[13CH3] 1458a_100000687843_200025704644 [0,2,0,0,0,0|2,0,0]=4 1131 B12R1.232 Cc1cc(c(cc1F)F)C(=O)[13CH3] 1458a_100000767126_200025704644 [0,2,0,0,0,0|2,0,0]=4 1132 B12R1.367 CCC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_100000210202 [0,2,0,0,0,0|2,0,0]=4 1133 B12R1.367 CCC(=O)c1ccc(c(c1)C)C 1458a_100000210898_100000210202 [0,2,0,0,0,0|2,0,0]=4 1134 B12R1.367 CCC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_100000210202 [0,2,0,0,0,0|2,0,0]=4 1135 B12R1.367 CCC(=O)c1ccc(c(c1)C)F 1458a_100000751819_100000210202 [0,2,0,0,0,0|2,0,0]=4 1136 B12R1.367 CCC(=O)c1ccc(c(c1)C)I 1458a_100000751300_100000210202 [0,2,0,0,0,0|2,0,0]=4 1137 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 1458a_100000685612_100000210202 [0,2,0,0,0,0|2,0,0]=4 1138 B12R1.367 CCC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200012349626 [0,2,0,0,0,0|2,0,0]=4 1139 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 11a_106832991635_100000692631 [0,2,0,0,0,0|2,0,0]=4 1140 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 1626a_100102657272_100000692631 [0,2,0,0,0,0|2,0,0]=4 1141 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 240690a_100102657272_100000692631 [0,2,0,0,0,0|2,0,0]=4 1142 B12R1.367 CNC(=O)c1ccc(c(c1)C)Br 527a_100102657272_100000692631 [0,2,0,0,0,0|2,0,0]=4 1143 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 11a_106832991635_100000210898 [0,2,0,0,0,0|2,0,0]=4 1144 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 1626a_100102657272_100000210898 [0,2,0,0,0,0|2,0,0]=4 1145 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 240690a_100102657272_100000210898 [0,2,0,0,0,0|2,0,0]=4 1146 B12R1.367 CNC(=O)c1ccc(c(c1)C)C 527a_100102657272_100000210898 [0,2,0,0,0,0|2,0,0]=4 1147 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 11a_106832991635_100000686306 [0,2,0,0,0,0|2,0,0]=4 1148 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 1626a_100102657272_100000686306 [0,2,0,0,0,0|2,0,0]=4 1149 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 240690a_100102657272_100000686306 [0,2,0,0,0,0|2,0,0]=4 1150 B12R1.367 CNC(=O)c1ccc(c(c1)C)Cl 527a_100102657272_100000686306 [0,2,0,0,0,0|2,0,0]=4 1151 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 11a_106832991635_100000751819 [0,2,0,0,0,0|2,0,0]=4 1152 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 1626a_100102657272_100000751819 [0,2,0,0,0,0|2,0,0]=4 1153 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 240690a_100102657272_100000751819 [0,2,0,0,0,0|2,0,0]=4 1154 B12R1.367 CNC(=O)c1ccc(c(c1)C)F 527a_100102657272_100000751819 [0,2,0,0,0,0|2,0,0]=4 1155 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 11a_106832991635_100000751300 [0,2,0,0,0,0|2,0,0]=4 1156 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 1626a_100102657272_100000751300 [0,2,0,0,0,0|2,0,0]=4 1157 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 240690a_100102657272_100000751300 [0,2,0,0,0,0|2,0,0]=4 1158 B12R1.367 CNC(=O)c1ccc(c(c1)C)I 527a_100102657272_100000751300 [0,2,0,0,0,0|2,0,0]=4 1159 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 240690a_100102657272_100000685612 [0,2,0,0,0,0|2,0,0]=4 1160 B12R1.367 CNC(=O)c1ccc(c(c1)C)O 271570a_203496583355_200013065384 [0,2,0,0,0,0|2,0,0]=4 1161 B12R1.367 COC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100011215878 [0,2,0,0,0,0|1,0,1]=4 1162 B12R1.367 Cc1cc(ccc1Br)C(=O)CF 1458a_100000692631_100015361967 [0,2,0,0,0,0|2,0,0]=4 1163 B12R1.367 Cc1cc(ccc1Cl)C(=O)CF 1458a_100000686306_100015361967 [0,2,0,0,0,0|2,0,0]=4 1164 B12R1.367 Cc1cc(ccc1F)C(=O)CF 1458a_100000751819_100015361967 [0,2,0,0,0,0|2,0,0]=4 1165 B12R1.367 Cc1cc(ccc1I)C(=O)CF 1458a_100000751300_100015361967 [0,2,0,0,0,0|2,0,0]=4 1166 B12R1.367 Cc1cc(ccc1O)C(=O)CF 1458a_100000685612_100015361967 [0,2,0,0,0,0|2,0,0]=4 1167 B12R1.367 Cc1cc(ccc1O)C(=O)NN 271570a_203496583355_100012339724 [0,2,0,0,0,0|2,0,0]=4 1168 B12R1.367 Cc1ccc(cc1C)C(=O)CF 1458a_100000210898_100015361967 [0,2,0,0,0,0|2,0,0]=4 1169 B12R1.893 CC(=O)c1ccc(c(c1Cl)C)Cl 1458a_100010074829_200000210301 [0,2,0,0,0,0|2,0,0]=4 1170 B12R1.893 CC(=O)c1ccc(c(c1Cl)C)F 1458a_100000061447_200000210301 [0,2,0,0,0,0|2,0,0]=4 1171 B12R1.893 CC(=O)c1ccc(c(c1F)C)Br 1458a_100000722919_200000210301 [0,2,0,0,0,0|2,0,0]=4 1172 B12R1.893 CC(=O)c1ccc(c(c1F)C)C 1458a_100010768504_200000210301 [0,2,0,0,0,0|2,0,0]=4 1173 B12R1.893 CC(=O)c1ccc(c(c1F)C)Cl 1458a_100012183103_200000210301 [0,2,0,0,0,0|2,0,0]=4 1174 B12R1.893 CC(=O)c1ccc(c(c1F)C)F 1458a_100000067293_200000210301 [0,2,0,0,0,0|2,0,0]=4 1175 B12R1.893 CC(=O)c1ccc(c(c1I)C)C 1458a_100010188221_200000210301 [0,2,0,0,0,0|2,0,0]=4 1176 B12R1.893 CC(=O)c1ccc(c(c1O)C)C 1458a_100000742916_200000210301 [0,2,0,0,0,0|2,0,0]=4 1177 B12R1.893 Cc1c(ccc(c1Cl)C(=O)[13CH3])Cl 1458a_100010074829_200025704644 [0,2,0,0,0,0|2,0,0]=4 1178 B12R1.893 Cc1c(ccc(c1Cl)C(=O)[13CH3])F 1458a_100000061447_200025704644 [0,2,0,0,0,0|2,0,0]=4 1179 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])Br 1458a_100000722919_200025704644 [0,2,0,0,0,0|2,0,0]=4 1180 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_100012183103_200025704644 [0,2,0,0,0,0|2,0,0]=4 1181 B12R1.893 Cc1c(ccc(c1F)C(=O)[13CH3])F 1458a_100000067293_200025704644 [0,2,0,0,0,0|2,0,0]=4 1182 B12R1.893 Cc1ccc(c(c1C)F)C(=O)[13CH3] 1458a_100010768504_200025704644 [0,2,0,0,0,0|2,0,0]=4 1183 B12R1.893 Cc1ccc(c(c1C)I)C(=O)[13CH3] 1458a_100010188221_200025704644 [0,2,0,0,0,0|2,0,0]=4 1184 B12R1.893 Cc1ccc(c(c1C)O)C(=O)[13CH3] 1458a_100000742916_200025704644 [0,2,0,0,0,0|2,0,0]=4 1185 B12R1.1005 CC(=O)c1cc(c(c(c1)C)Br)C 1458a_100000700660_200000210301 [0,2,0,0,0,0|2,0,0]=4 1186 B12R1.1005 CC(=O)c1cc(c(c(c1)C)C)C 1458a_100000075298_200000210301 [0,2,0,0,0,0|2,0,0]=4 1187 B12R1.1005 CC(=O)c1cc(c(c(c1)C)Cl)C 1458a_100000102532_200000210301 [0,2,0,0,0,0|2,0,0]=4 1188 B12R1.1005 CC(=O)c1cc(c(c(c1)C)F)C 1458a_100000741972_200000210301 [0,2,0,0,0,0|2,0,0]=4 1189 B12R1.1005 CC(=O)c1cc(c(c(c1)C)I)C 1458a_100010769667_200000210301 [0,2,0,0,0,0|2,0,0]=4 1190 B12R1.1005 CC(=O)c1cc(c(c(c1)C)O)C 1458a_100011219978_200000210301 [0,2,0,0,0,0|2,0,0]=4 1191 B12R1.1005 CC(=O)c1cc(c(c(c1)F)F)C 1458a_100000061453_200000210301 [0,2,0,0,0,0|2,0,0]=4 1192 B12R1.1005 Cc1cc(cc(c1Br)C)C(=O)[13CH3] 1458a_100000700660_200025704644 [0,2,0,0,0,0|2,0,0]=4 1193 B12R1.1005 Cc1cc(cc(c1C)C)C(=O)[13CH3] 1458a_100000075298_200025704644 [0,2,0,0,0,0|2,0,0]=4 1194 B12R1.1005 Cc1cc(cc(c1Cl)C)C(=O)[13CH3] 1458a_100000102532_200025704644 [0,2,0,0,0,0|2,0,0]=4 1195 B12R1.1005 Cc1cc(cc(c1F)C)C(=O)[13CH3] 1458a_100000741972_200025704644 [0,2,0,0,0,0|2,0,0]=4 1196 B12R1.1005 Cc1cc(cc(c1F)F)C(=O)[13CH3] 1458a_100000061453_200025704644 [0,2,0,0,0,0|2,0,0]=4 1197 B12R1.1005 Cc1cc(cc(c1I)C)C(=O)[13CH3] 1458a_100010769667_200025704644 [0,2,0,0,0,0|2,0,0]=4 1198 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)N 271570a_203496583355_200009816865 [0,2,0,0,0,0|2,0,0]=4 1199 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)[13CH3] 1458a_100011219978_200025704644 [0,2,0,0,0,0|2,0,0]=4 1200 B12R1.17 C#CCC(=O)c1cccc(c1)C 1458a_100000189346_100000184674 [0,2,0,0,0,0|2,0,0]=4 1201 B12R1.17 C=CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210623 [0,2,0,0,0,0|2,0,0]=4 1202 B12R1.17 CCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210303 [0,2,0,0,0,0|2,0,0]=4 1203 B12R1.17 CCNC(=O)c1cccc(c1)C 11a_100015525214_100000189346 [0,2,0,0,0,0|2,0,0]=4 1204 B12R1.17 CCNC(=O)c1cccc(c1)C 240690a_100015525214_100000189346 [0,2,0,0,0,0|2,0,0]=4 1205 B12R1.17 CCNC(=O)c1cccc(c1)C 527a_100015525214_100000189346 [0,2,0,0,0,0|2,0,0]=4 1206 B12R1.17 CNCC(=O)c1cccc(c1)C 2230a_106832991635_100000739480 [0,2,0,0,0,0|2,0,0]=4 1207 B12R1.17 CNCC(=O)c1cccc(c1)C 34a_100102657272_100000739480 [0,2,0,0,0,0|2,0,0]=4 1208 B12R1.17 CNCC(=O)c1cccc(c1)C 7a_106832991635_100000739480 [0,2,0,0,0,0|2,0,0]=4 1209 B12R1.17 CNNC(=O)c1cccc(c1)C 22a_100016993582_100000189346 [0,2,0,0,0,0|2,0,0]=4 1210 B12R1.17 COCC(=O)c1cccc(c1)C 34a_100138415774_100000739480 [0,2,0,0,0,0|1,0,1]=4 1211 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_100000739480_200000210301 [0,2,0,0,0,0|1,1,0]=4 1212 B12R1.17 CSCC(=O)c1cccc(c1)C 62a_200000210301_100000739480 [0,2,0,0,0,0|1,1,0]=4 1213 B12R1.17 Cc1cccc(c1)C(=O)CC#N 1458a_100000189346_100011214920 [0,2,0,0,0,0|2,0,0]=4 1214 B12R1.17 Cc1cccc(c1)C(=O)CCF 1458a_100000189346_100011217306 [0,2,0,0,0,0|2,0,0]=4 1215 B12R1.17 Cc1cccc(c1)C(=O)CCO 1458a_100000189346_100000211926 [0,2,0,0,0,0|1,0,1]=4 1216 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_100000739480_200025704644 [0,2,0,0,0,0|1,1,0]=4 1217 B12R1.17 Cc1cccc(c1)C(=O)CS[13CH3] 62a_200025704644_100000739480 [0,2,0,0,0,0|1,1,0]=4 1218 B12R1.24 CCC(=O)c1cccc(c1Br)C 1458a_100000692419_100000210202 [0,2,0,0,0,0|2,0,0]=4 1219 B12R1.24 CCC(=O)c1cccc(c1C)C 1458a_100000183679_100000210202 [0,2,0,0,0,0|2,0,0]=4 1220 B12R1.24 CCC(=O)c1cccc(c1Cl)C 1458a_100000693142_100000210202 [0,2,0,0,0,0|2,0,0]=4 1221 B12R1.24 CCC(=O)c1cccc(c1F)C 1458a_100000766181_100000210202 [0,2,0,0,0,0|2,0,0]=4 1222 B12R1.24 CCC(=O)c1cccc(c1I)C 1458a_100000739377_100000210202 [0,2,0,0,0,0|2,0,0]=4 1223 B12R1.24 CCC(=O)c1cccc(c1O)C 1458a_100000183896_100000210202 [0,2,0,0,0,0|2,0,0]=4 1224 B12R1.24 CNC(=O)c1cccc(c1Br)C 11a_106832991635_100000692419 [0,2,0,0,0,0|2,0,0]=4 1225 B12R1.24 CNC(=O)c1cccc(c1Br)C 1626a_100102657272_100000692419 [0,2,0,0,0,0|2,0,0]=4 1226 B12R1.24 CNC(=O)c1cccc(c1Br)C 240690a_100102657272_100000692419 [0,2,0,0,0,0|2,0,0]=4 1227 B12R1.24 CNC(=O)c1cccc(c1Br)C 527a_100102657272_100000692419 [0,2,0,0,0,0|2,0,0]=4 1228 B12R1.24 CNC(=O)c1cccc(c1C)C 11a_106832991635_100000183679 [0,2,0,0,0,0|2,0,0]=4 1229 B12R1.24 CNC(=O)c1cccc(c1C)C 1626a_100102657272_100000183679 [0,2,0,0,0,0|2,0,0]=4 1230 B12R1.24 CNC(=O)c1cccc(c1C)C 240690a_100102657272_100000183679 [0,2,0,0,0,0|2,0,0]=4 1231 B12R1.24 CNC(=O)c1cccc(c1C)C 527a_100102657272_100000183679 [0,2,0,0,0,0|2,0,0]=4 1232 B12R1.24 CNC(=O)c1cccc(c1Cl)C 11a_106832991635_100000693142 [0,2,0,0,0,0|2,0,0]=4 1233 B12R1.24 CNC(=O)c1cccc(c1Cl)C 1626a_100102657272_100000693142 [0,2,0,0,0,0|2,0,0]=4 1234 B12R1.24 CNC(=O)c1cccc(c1Cl)C 240690a_100102657272_100000693142 [0,2,0,0,0,0|2,0,0]=4 1235 B12R1.24 CNC(=O)c1cccc(c1Cl)C 527a_100102657272_100000693142 [0,2,0,0,0,0|2,0,0]=4 1236 B12R1.24 CNC(=O)c1cccc(c1F)C 11a_106832991635_100000766181 [0,2,0,0,0,0|2,0,0]=4 1237 B12R1.24 CNC(=O)c1cccc(c1F)C 1626a_100102657272_100000766181 [0,2,0,0,0,0|2,0,0]=4 1238 B12R1.24 CNC(=O)c1cccc(c1F)C 240690a_100102657272_100000766181 [0,2,0,0,0,0|2,0,0]=4 1239 B12R1.24 CNC(=O)c1cccc(c1F)C 527a_100102657272_100000766181 [0,2,0,0,0,0|2,0,0]=4 1240 B12R1.24 CNC(=O)c1cccc(c1I)C 11a_106832991635_100000739377 [0,2,0,0,0,0|2,0,0]=4 1241 B12R1.24 CNC(=O)c1cccc(c1I)C 1626a_100102657272_100000739377 [0,2,0,0,0,0|2,0,0]=4 1242 B12R1.24 CNC(=O)c1cccc(c1I)C 240690a_100102657272_100000739377 [0,2,0,0,0,0|2,0,0]=4 1243 B12R1.24 CNC(=O)c1cccc(c1I)C 527a_100102657272_100000739377 [0,2,0,0,0,0|2,0,0]=4 1244 B12R1.24 CNC(=O)c1cccc(c1O)C 240690a_100102657272_100000183896 [0,2,0,0,0,0|2,0,0]=4 1245 B12R1.24 CNC(=O)c1cccc(c1O)C 527a_100102657272_100000183896 [0,2,0,0,0,0|2,0,0]=4 1246 B12R1.24 COC(=O)c1cccc(c1O)C 271570a_203496583355_100012002529 [0,2,0,0,0,0|1,0,1]=4 1247 B12R1.24 Cc1cccc(c1Br)C(=O)CF 1458a_100000692419_100015361967 [0,2,0,0,0,0|2,0,0]=4 1248 B12R1.24 Cc1cccc(c1C)C(=O)CF 1458a_100000183679_100015361967 [0,2,0,0,0,0|2,0,0]=4 1249 B12R1.24 Cc1cccc(c1Cl)C(=O)CF 1458a_100000693142_100015361967 [0,2,0,0,0,0|2,0,0]=4 1250 B12R1.24 Cc1cccc(c1F)C(=O)CF 1458a_100000766181_100015361967 [0,2,0,0,0,0|2,0,0]=4 1251 B12R1.24 Cc1cccc(c1I)C(=O)CF 1458a_100000739377_100015361967 [0,2,0,0,0,0|2,0,0]=4 1252 B12R1.24 Cc1cccc(c1O)C(=O)CF 1458a_100000183896_100015361967 [0,2,0,0,0,0|2,0,0]=4 1253 B12R1.354 CCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000210202 [0,2,0,0,0,0|2,0,0]=4 1254 B12R1.354 CCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210202 [0,2,0,0,0,0|2,0,0]=4 1255 B12R1.354 CCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000210202 [0,2,0,0,0,0|2,0,0]=4 1256 B12R1.354 CCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000210202 [0,2,0,0,0,0|2,0,0]=4 1257 B12R1.354 CCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000210202 [0,2,0,0,0,0|2,0,0]=4 1258 B12R1.354 CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210202 [0,2,0,0,0,0|2,0,0]=4 1259 B12R1.354 CNC(=O)c1cc(ccc1Br)C 11a_106832991635_100000689033 [0,2,0,0,0,0|2,0,0]=4 1260 B12R1.354 CNC(=O)c1cc(ccc1Br)C 1626a_100102657272_100000689033 [0,2,0,0,0,0|2,0,0]=4 1261 B12R1.354 CNC(=O)c1cc(ccc1Br)C 240690a_100102657272_100000689033 [0,2,0,0,0,0|2,0,0]=4 1262 B12R1.354 CNC(=O)c1cc(ccc1Br)C 527a_100102657272_100000689033 [0,2,0,0,0,0|2,0,0]=4 1263 B12R1.354 CNC(=O)c1cc(ccc1C)C 11a_106832991635_100000195421 [0,2,0,0,0,0|2,0,0]=4 1264 B12R1.354 CNC(=O)c1cc(ccc1C)C 1626a_100102657272_100000195421 [0,2,0,0,0,0|2,0,0]=4 1265 B12R1.354 CNC(=O)c1cc(ccc1C)C 240690a_100102657272_100000195421 [0,2,0,0,0,0|2,0,0]=4 1266 B12R1.354 CNC(=O)c1cc(ccc1C)C 527a_100102657272_100000195421 [0,2,0,0,0,0|2,0,0]=4 1267 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 11a_106832991635_100011290873 [0,2,0,0,0,0|2,0,0]=4 1268 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 1626a_100102657272_100011290873 [0,2,0,0,0,0|2,0,0]=4 1269 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 240690a_100102657272_100011290873 [0,2,0,0,0,0|2,0,0]=4 1270 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 527a_100102657272_100011290873 [0,2,0,0,0,0|2,0,0]=4 1271 B12R1.354 CNC(=O)c1cc(ccc1F)C 11a_106832991635_100000749327 [0,2,0,0,0,0|2,0,0]=4 1272 B12R1.354 CNC(=O)c1cc(ccc1F)C 1626a_100102657272_100000749327 [0,2,0,0,0,0|2,0,0]=4 1273 B12R1.354 CNC(=O)c1cc(ccc1F)C 240690a_100102657272_100000749327 [0,2,0,0,0,0|2,0,0]=4 1274 B12R1.354 CNC(=O)c1cc(ccc1F)C 527a_100102657272_100000749327 [0,2,0,0,0,0|2,0,0]=4 1275 B12R1.354 CNC(=O)c1cc(ccc1I)C 11a_106832991635_100000057929 [0,2,0,0,0,0|2,0,0]=4 1276 B12R1.354 CNC(=O)c1cc(ccc1I)C 1626a_100102657272_100000057929 [0,2,0,0,0,0|2,0,0]=4 1277 B12R1.354 CNC(=O)c1cc(ccc1I)C 240690a_100102657272_100000057929 [0,2,0,0,0,0|2,0,0]=4 1278 B12R1.354 CNC(=O)c1cc(ccc1I)C 527a_100102657272_100000057929 [0,2,0,0,0,0|2,0,0]=4 1279 B12R1.354 CNC(=O)c1cc(ccc1O)C 240690a_100102657272_100000229998 [0,2,0,0,0,0|2,0,0]=4 1280 B12R1.354 CNC(=O)c1cc(ccc1O)C 527a_100102657272_100000229998 [0,2,0,0,0,0|2,0,0]=4 1281 B12R1.354 COC(=O)c1cc(ccc1O)C 271570a_203496583355_100012339458 [0,2,0,0,0,0|1,0,1]=4 1282 B12R1.354 Cc1ccc(c(c1)C(=O)CF)Br 1458a_100000689033_100015361967 [0,2,0,0,0,0|2,0,0]=4 1283 B12R1.354 Cc1ccc(c(c1)C(=O)CF)C 1458a_100000195421_100015361967 [0,2,0,0,0,0|2,0,0]=4 1284 B12R1.354 Cc1ccc(c(c1)C(=O)CF)Cl 1458a_100011290873_100015361967 [0,2,0,0,0,0|2,0,0]=4 1285 B12R1.354 Cc1ccc(c(c1)C(=O)CF)F 1458a_100000749327_100015361967 [0,2,0,0,0,0|2,0,0]=4 1286 B12R1.354 Cc1ccc(c(c1)C(=O)CF)I 1458a_100000057929_100015361967 [0,2,0,0,0,0|2,0,0]=4 1287 B12R1.354 Cc1ccc(c(c1)C(=O)CF)O 1458a_100000229998_100015361967 [0,2,0,0,0,0|2,0,0]=4 1288 B12R1.358 CCC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_100000210202 [0,2,0,0,0,0|2,0,0]=4 1289 B12R1.358 CCC(=O)c1cc(cc(c1)C)C 1458a_100000210874_100000210202 [0,2,0,0,0,0|2,0,0]=4 1290 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_100000210202 [0,2,0,0,0,0|2,0,0]=4 1291 B12R1.358 CCC(=O)c1cc(cc(c1)F)C 1458a_100000763163_100000210202 [0,2,0,0,0,0|2,0,0]=4 1292 B12R1.358 CCC(=O)c1cc(cc(c1)I)C 1458a_100000729426_100000210202 [0,2,0,0,0,0|2,0,0]=4 1293 B12R1.358 CCC(=O)c1cc(cc(c1)O)C 1458a_100000094094_100000210202 [0,2,0,0,0,0|2,0,0]=4 1294 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 11a_106832991635_100000760426 [0,2,0,0,0,0|2,0,0]=4 1295 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 1626a_100102657272_100000760426 [0,2,0,0,0,0|2,0,0]=4 1296 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 240690a_100102657272_100000760426 [0,2,0,0,0,0|2,0,0]=4 1297 B12R1.358 CNC(=O)c1cc(cc(c1)Br)C 527a_100102657272_100000760426 [0,2,0,0,0,0|2,0,0]=4 1298 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 11a_106832991635_100000210874 [0,2,0,0,0,0|2,0,0]=4 1299 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 1626a_100102657272_100000210874 [0,2,0,0,0,0|2,0,0]=4 1300 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 240690a_100102657272_100000210874 [0,2,0,0,0,0|2,0,0]=4 1301 B12R1.358 CNC(=O)c1cc(cc(c1)C)C 527a_100102657272_100000210874 [0,2,0,0,0,0|2,0,0]=4 1302 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 11a_106832991635_100000684526 [0,2,0,0,0,0|2,0,0]=4 1303 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 1626a_100102657272_100000684526 [0,2,0,0,0,0|2,0,0]=4 1304 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 240690a_100102657272_100000684526 [0,2,0,0,0,0|2,0,0]=4 1305 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)C 527a_100102657272_100000684526 [0,2,0,0,0,0|2,0,0]=4 1306 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 11a_106832991635_100000763163 [0,2,0,0,0,0|2,0,0]=4 1307 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 1626a_100102657272_100000763163 [0,2,0,0,0,0|2,0,0]=4 1308 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 240690a_100102657272_100000763163 [0,2,0,0,0,0|2,0,0]=4 1309 B12R1.358 CNC(=O)c1cc(cc(c1)F)C 527a_100102657272_100000763163 [0,2,0,0,0,0|2,0,0]=4 1310 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 11a_106832991635_100000729426 [0,2,0,0,0,0|2,0,0]=4 1311 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 1626a_100102657272_100000729426 [0,2,0,0,0,0|2,0,0]=4 1312 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 240690a_100102657272_100000729426 [0,2,0,0,0,0|2,0,0]=4 1313 B12R1.358 CNC(=O)c1cc(cc(c1)I)C 527a_100102657272_100000729426 [0,2,0,0,0,0|2,0,0]=4 1314 B12R1.358 CNC(=O)c1cc(cc(c1)O)C 240690a_100102657272_100000094094 [0,2,0,0,0,0|2,0,0]=4 1315 B12R1.358 CNC(=O)c1cc(cc(c1)O)C 527a_100102657272_100000094094 [0,2,0,0,0,0|2,0,0]=4 1316 B12R1.358 COC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100012359405 [0,2,0,0,0,0|1,0,1]=4 1317 B12R1.358 Cc1cc(cc(c1)C(=O)CF)Br 1458a_100000760426_100015361967 [0,2,0,0,0,0|2,0,0]=4 1318 B12R1.358 Cc1cc(cc(c1)C(=O)CF)C 1458a_100000210874_100015361967 [0,2,0,0,0,0|2,0,0]=4 1319 B12R1.358 Cc1cc(cc(c1)C(=O)CF)Cl 1458a_100000684526_100015361967 [0,2,0,0,0,0|2,0,0]=4 1320 B12R1.358 Cc1cc(cc(c1)C(=O)CF)F 1458a_100000763163_100015361967 [0,2,0,0,0,0|2,0,0]=4 1321 B12R1.358 Cc1cc(cc(c1)C(=O)CF)I 1458a_100000729426_100015361967 [0,2,0,0,0,0|2,0,0]=4 1322 B12R1.358 Cc1cc(cc(c1)C(=O)CF)O 1458a_100000094094_100015361967 [0,2,0,0,0,0|2,0,0]=4 1323 B12R1.435 CCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210202 [0,2,0,0,0,0|2,0,0]=4 1324 B12R1.435 CCC(=O)c1cccc(c1)CO 1458a_100000746274_100000210202 [0,2,0,0,0,0|2,0,0]=4 1325 B12R1.435 CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210202 [0,2,0,0,0,0|2,0,0]=4 1326 B12R1.435 CCC(=O)c1cccc(c1)OC 34a_100011996911_200000210301 [0,2,0,0,0,0|2,0,0]=4 1327 B12R1.435 CCC(=O)c1cccc(c1)OC 7a_100011996911_200000210301 [0,2,0,0,0,0|2,0,0]=4 1328 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 34a_100011996911_200025704644 [0,2,0,0,0,0|2,0,0]=4 1329 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 7a_100011996911_200025704644 [0,2,0,0,0,0|2,0,0]=4 1330 B12R1.435 CCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210202 [0,2,0,0,0,0|2,0,0]=4 1331 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_100000211677_200000210301 [0,2,0,0,0,0|2,0,0]=4 1332 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_200000210301_100000211677 [0,2,0,0,0,0|2,0,0]=4 1333 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_100000211677_200025704644 [0,2,0,0,0,0|2,0,0]=4 1334 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000211677 [0,2,0,0,0,0|2,0,0]=4 1335 B12R1.435 CCc1cccc(c1)C(=O)CF 1458a_100011933908_100015361967 [0,2,0,0,0,0|2,0,0]=4 1336 B12R1.435 CCc1cccc(c1)C(=O)NC 11a_106832991635_100011933908 [0,2,0,0,0,0|2,0,0]=4 1337 B12R1.435 CCc1cccc(c1)C(=O)NC 1626a_100102657272_100011933908 [0,2,0,0,0,0|2,0,0]=4 1338 B12R1.435 CCc1cccc(c1)C(=O)NC 240690a_100102657272_100011933908 [0,2,0,0,0,0|2,0,0]=4 1339 B12R1.435 CCc1cccc(c1)C(=O)NC 527a_100102657272_100011933908 [0,2,0,0,0,0|2,0,0]=4 1340 B12R1.435 CNC(=O)c1cccc(c1)CO 240690a_100102657272_100000746274 [0,2,0,0,0,0|2,0,0]=4 1341 B12R1.435 CNC(=O)c1cccc(c1)NC 34a_100000185133_200000210301 [0,2,0,0,0,0|2,0,0]=4 1342 B12R1.435 CNC(=O)c1cccc(c1)N[13CH3] 34a_100000185133_200025704644 [0,2,0,0,0,0|2,0,0]=4 1343 B12R1.435 CNC(=O)c1cccc(c1)OC 11a_106832991635_100000188888 [0,2,0,0,0,0|2,0,0]=4 1344 B12R1.435 CNC(=O)c1cccc(c1)OC 1626a_100102657272_100000188888 [0,2,0,0,0,0|2,0,0]=4 1345 B12R1.435 CNC(=O)c1cccc(c1)OC 240690a_100102657272_100000188888 [0,2,0,0,0,0|2,0,0]=4 1346 B12R1.435 CNC(=O)c1cccc(c1)OC 34a_100000159807_200000210301 [0,2,0,0,0,0|2,0,0]=4 1347 B12R1.435 CNC(=O)c1cccc(c1)OC 527a_100102657272_100000188888 [0,2,0,0,0,0|2,0,0]=4 1348 B12R1.435 CNC(=O)c1cccc(c1)OC 7a_100000159807_200000210301 [0,2,0,0,0,0|2,0,0]=4 1349 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 34a_100000159807_200025704644 [0,2,0,0,0,0|2,0,0]=4 1350 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 7a_100000159807_200025704644 [0,2,0,0,0,0|2,0,0]=4 1351 B12R1.435 CNC(=O)c1cccc(c1)SC 11a_106832991635_100011217804 [0,2,0,0,0,0|2,0,0]=4 1352 B12R1.435 CNC(=O)c1cccc(c1)SC 1626a_100102657272_100011217804 [0,2,0,0,0,0|2,0,0]=4 1353 B12R1.435 CNC(=O)c1cccc(c1)SC 240690a_100102657272_100011217804 [0,2,0,0,0,0|2,0,0]=4 1354 B12R1.435 CNC(=O)c1cccc(c1)SC 527a_100102657272_100011217804 [0,2,0,0,0,0|2,0,0]=4 1355 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_100000155082_200000210301 [0,2,0,0,0,0|2,0,0]=4 1356 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_200000210301_100000155082 [0,2,0,0,0,0|2,0,0]=4 1357 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_100000155082_200025704644 [0,2,0,0,0,0|2,0,0]=4 1358 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000155082 [0,2,0,0,0,0|2,0,0]=4 1359 B12R1.435 COC(=O)c1cccc(c1)OC 34a_100000150331_200000210301 [0,2,0,0,0,0|1,0,1]=4 1360 B12R1.435 COC(=O)c1cccc(c1)OC 7a_100000150331_200000210301 [0,2,0,0,0,0|1,0,1]=4 1361 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 34a_100000150331_200025704644 [0,2,0,0,0,0|1,0,1]=4 1362 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 7a_100000150331_200025704644 [0,2,0,0,0,0|1,0,1]=4 1363 B12R1.435 COC(=O)c1cccc(c1)SC 62a_100000148848_200000210301 [0,2,0,0,0,0|1,0,1]=4 1364 B12R1.435 COC(=O)c1cccc(c1)SC 62a_200000210301_100000148848 [0,2,0,0,0,0|1,0,1]=4 1365 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_100000148848_200025704644 [0,2,0,0,0,0|1,0,1]=4 1366 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000148848 [0,2,0,0,0,0|1,0,1]=4 1367 B12R1.435 COc1cccc(c1)C(=O)CBr 7a_100009813753_200000210301 [0,2,0,0,0,0|2,0,0]=4 1368 B12R1.435 COc1cccc(c1)C(=O)CF 1458a_100000188888_100015361967 [0,2,0,0,0,0|2,0,0]=4 1369 B12R1.435 COc1cccc(c1)C(=O)NN 34a_100000184184_200000210301 [0,2,0,0,0,0|2,0,0]=4 1370 B12R1.435 CSc1cccc(c1)C(=O)C#N 62a_200000210301_100010169886 [0,2,0,0,0,0|2,0,0]=4 1371 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_100000726164_200000210301 [0,2,0,0,0,0|1,0,1]=4 1372 B12R1.435 CSc1cccc(c1)C(=O)C=O 62a_200000210301_100000726164 [0,2,0,0,0,0|1,0,1]=4 1373 B12R1.435 CSc1cccc(c1)C(=O)CF 1458a_100011217804_100015361967 [0,2,0,0,0,0|2,0,0]=4 1374 B12R1.435 CSc1cccc(c1)C(=O)CN 62a_100020587001_200000210301 [0,2,0,0,0,0|2,0,0]=4 1375 B12R1.435 CSc1cccc(c1)C(=O)CN 62a_200000210301_100020587001 [0,2,0,0,0,0|2,0,0]=4 1376 B12R1.435 CSc1cccc(c1)C(=O)NN 62a_100000189783_200000210301 [0,2,0,0,0,0|2,0,0]=4 1377 B12R1.435 CSc1cccc(c1)C(=O)NN 62a_200000210301_100000189783 [0,2,0,0,0,0|2,0,0]=4 1378 B12R1.435 O=C(CF)c1cccc(c1)CO 1458a_100000746274_100015361967 [0,2,0,0,0,0|2,0,0]=4 1379 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)CBr 7a_100009813753_200025704644 [0,2,0,0,0,0|2,0,0]=4 1380 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)NN 34a_100000184184_200025704644 [0,2,0,0,0,0|2,0,0]=4 1381 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C#N 62a_200025704644_100010169886 [0,2,0,0,0,0|2,0,0]=4 1382 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_100000726164_200025704644 [0,2,0,0,0,0|1,0,1]=4 1383 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)C=O 62a_200025704644_100000726164 [0,2,0,0,0,0|1,0,1]=4 1384 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)CN 62a_100020587001_200025704644 [0,2,0,0,0,0|2,0,0]=4 1385 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)CN 62a_200025704644_100020587001 [0,2,0,0,0,0|2,0,0]=4 1386 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)NN 62a_100000189783_200025704644 [0,2,0,0,0,0|2,0,0]=4 1387 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)NN 62a_200025704644_100000189783 [0,2,0,0,0,0|2,0,0]=4 1388 B12R1.11 C=Cc1cc(cc(c1)C(=O)C)C 271570a_100011290941_100000694479 [0,2,0,0,0,0|2,0,0]=4 1389 B12R1.11 C=Cc1cc(cc(c1)C(=O)N)C 271570a_100011290941_200012348365 [0,2,0,0,0,0|2,0,0]=4 1390 B12R1.11 CC(=O)c1cc(cc(c1)C#N)C 1458a_100012001805_200000210301 [0,2,0,0,0,0|2,0,0]=4 1391 B12R1.11 CC(=O)c1cc(cc(c1)CO)Cl 1458a_100009925505_200000210301 [0,2,0,0,0,0|2,0,0]=4 1392 B12R1.11 CC(=O)c1cc(cc(c1)CO)F 1458a_100012278920_200000210301 [0,2,0,0,0,0|2,0,0]=4 1393 B12R1.11 CC(=O)c1cc(cc(c1)O[13CH3])C 34a_100009855872_200025704644 [0,2,0,0,0,0|2,0,0]=4 1394 B12R1.11 CC(=O)c1cc(cc(c1)O[13CH3])C 7a_100009855872_200025704644 [0,2,0,0,0,0|2,0,0]=4 1395 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])Br 62a_100010005435_200025704644 [0,2,0,0,0,0|2,0,0]=4 1396 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])Br 62a_200025704644_100010005435 [0,2,0,0,0,0|2,0,0]=4 1397 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])C 62a_100000694479_200025704644 [0,2,0,0,0,0|2,0,0]=4 1398 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])C 62a_200025704644_100000694479 [0,2,0,0,0,0|2,0,0]=4 1399 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])F 62a_100012361402_200025704644 [0,2,0,0,0,0|2,0,0]=4 1400 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])F 62a_200025704644_100012361402 [0,2,0,0,0,0|2,0,0]=4 1401 B12R1.11 CNc1cc(cc(c1)C(=O)N)F 34a_200011998915_200000210301 [0,2,0,0,0,0|2,0,0]=4 1402 B12R1.11 CNc1cc(cc(c1)C(=O)N)F 7a_200011998915_200000210301 [0,2,0,0,0,0|2,0,0]=4 1403 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])Br 34a_100000728782_200000210301 [0,2,0,0,0,0|2,0,0]=4 1404 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])Br 7a_100000728782_200000210301 [0,2,0,0,0,0|2,0,0]=4 1405 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])C 2230a_100011707342_200000210301 [0,2,0,0,0,0|2,0,0]=4 1406 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])C 34a_100011707342_200000210301 [0,2,0,0,0,0|2,0,0]=4 1407 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])C 7a_100011707342_200000210301 [0,2,0,0,0,0|2,0,0]=4 1408 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100012181248_200000210301 [0,2,0,0,0,0|2,0,0]=4 1409 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100012181248_200000210301 [0,2,0,0,0,0|2,0,0]=4 1410 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])F 34a_100000756922_200000210301 [0,2,0,0,0,0|2,0,0]=4 1411 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])F 7a_100000756922_200000210301 [0,2,0,0,0,0|2,0,0]=4 1412 B12R1.11 COc1cc(cc(c1)C(=O)C)Br 1458a_100011934030_200000210301 [0,2,0,0,0,0|2,0,0]=4 1413 B12R1.11 COc1cc(cc(c1)C(=O)C)C 1458a_100000117910_200000210301 [0,2,0,0,0,0|2,0,0]=4 1414 B12R1.11 COc1cc(cc(c1)C(=O)C)C 34a_100009855872_200000210301 [0,2,0,0,0,0|2,0,0]=4 1415 B12R1.11 COc1cc(cc(c1)C(=O)C)C 7a_100009855872_200000210301 [0,2,0,0,0,0|2,0,0]=4 1416 B12R1.11 COc1cc(cc(c1)C(=O)C)Cl 1458a_100000066651_200000210301 [0,2,0,0,0,0|2,0,0]=4 1417 B12R1.11 COc1cc(cc(c1)C(=O)C)F 1458a_100011934639_200000210301 [0,2,0,0,0,0|2,0,0]=4 1418 B12R1.11 COc1cc(cc(c1)C(=O)C)I 1458a_200010292657_200000210301 [0,2,0,0,0,0|2,0,0]=4 1419 B12R1.11 COc1cc(cc(c1)C(=O)C)O 1458a_100000083963_200000210301 [0,2,0,0,0,0|2,0,0]=4 1420 B12R1.11 COc1cc(cc(c1)C(=O)C)O 271570a_203496583355_100010713257 [0,2,0,0,0,0|2,0,0]=4 1421 B12R1.11 COc1cc(cc(c1)C(=O)N)Br 34a_100010084318_200000210301 [0,2,0,0,0,0|2,0,0]=4 1422 B12R1.11 COc1cc(cc(c1)C(=O)N)Br 7a_100010084318_200000210301 [0,2,0,0,0,0|2,0,0]=4 1423 B12R1.11 COc1cc(cc(c1)C(=O)N)O 271570a_203496583355_100010146780 [0,2,0,0,0,0|2,0,0]=4 1424 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100011934030_200025704644 [0,2,0,0,0,0|2,0,0]=4 1425 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000117910_200025704644 [0,2,0,0,0,0|2,0,0]=4 1426 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000066651_200025704644 [0,2,0,0,0,0|2,0,0]=4 1427 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])F 1458a_100011934639_200025704644 [0,2,0,0,0,0|2,0,0]=4 1428 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])I 1458a_200010292657_200025704644 [0,2,0,0,0,0|2,0,0]=4 1429 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000083963_200025704644 [0,2,0,0,0,0|2,0,0]=4 1430 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Br 34a_100010219246_200000210301 [0,2,0,0,0,0|2,0,0]=4 1431 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Br 7a_100010219246_200000210301 [0,2,0,0,0,0|2,0,0]=4 1432 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])C 34a_200000091708_200000210301 [0,2,0,0,0,0|2,0,0]=4 1433 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])C 7a_200000091708_200000210301 [0,2,0,0,0,0|2,0,0]=4 1434 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100000118981_200000210301 [0,2,0,0,0,0|2,0,0]=4 1435 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100000118981_200000210301 [0,2,0,0,0,0|2,0,0]=4 1436 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])F 34a_100000690918_200000210301 [0,2,0,0,0,0|2,0,0]=4 1437 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])F 7a_100000690918_200000210301 [0,2,0,0,0,0|2,0,0]=4 1438 B12R1.11 CSc1cc(cc(c1)C(=O)C)Br 62a_100010005435_200000210301 [0,2,0,0,0,0|2,0,0]=4 1439 B12R1.11 CSc1cc(cc(c1)C(=O)C)Br 62a_200000210301_100010005435 [0,2,0,0,0,0|2,0,0]=4 1440 B12R1.11 CSc1cc(cc(c1)C(=O)C)C 62a_100000694479_200000210301 [0,2,0,0,0,0|2,0,0]=4 1441 B12R1.11 CSc1cc(cc(c1)C(=O)C)C 62a_200000210301_100000694479 [0,2,0,0,0,0|2,0,0]=4 1442 B12R1.11 CSc1cc(cc(c1)C(=O)C)F 62a_100012361402_200000210301 [0,2,0,0,0,0|2,0,0]=4 1443 B12R1.11 CSc1cc(cc(c1)C(=O)C)F 62a_200000210301_100012361402 [0,2,0,0,0,0|2,0,0]=4 1444 B12R1.11 CSc1cc(cc(c1)C(=O)N)C 62a_200000210301_200012348365 [0,2,0,0,0,0|2,0,0]=4 1445 B12R1.11 CSc1cc(cc(c1)C(=O)N)C 62a_200012348365_200000210301 [0,2,0,0,0,0|2,0,0]=4 1446 B12R1.11 CSc1cc(cc(c1)C(=O)N)F 62a_200000210301_200011280034 [0,2,0,0,0,0|2,0,0]=4 1447 B12R1.11 CSc1cc(cc(c1)C(=O)N)F 62a_200011280034_200000210301 [0,2,0,0,0,0|2,0,0]=4 1448 B12R1.11 CSc1cc(cc(c1)C(=O)N)O 62a_100010084318_200000210301 [0,2,0,0,0,0|2,0,0]=4 1449 B12R1.11 CSc1cc(cc(c1)C(=O)N)O 62a_200000210301_100010084318 [0,2,0,0,0,0|2,0,0]=4 1450 B12R1.11 Cc1cc(cc(c1)C(=O)N)S[13CH3] 62a_200012348365_200025704644 [0,2,0,0,0,0|2,0,0]=4 1451 B12R1.11 Cc1cc(cc(c1)C(=O)N)S[13CH3] 62a_200025704644_200012348365 [0,2,0,0,0,0|2,0,0]=4 1452 B12R1.11 Cc1cc(cc(c1)C(=O)[13CH3])C#N 1458a_100012001805_200025704644 [0,2,0,0,0,0|2,0,0]=4 1453 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])N[13CH3] 2230a_100011707342_200025704644 [0,2,0,0,0,0|2,0,0]=4 1454 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])N[13CH3] 34a_100011707342_200025704644 [0,2,0,0,0,0|2,0,0]=4 1455 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])N[13CH3] 7a_100011707342_200025704644 [0,2,0,0,0,0|2,0,0]=4 1456 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])O[13CH3] 34a_200000091708_200025704644 [0,2,0,0,0,0|2,0,0]=4 1457 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])O[13CH3] 7a_200000091708_200025704644 [0,2,0,0,0,0|2,0,0]=4 1458 B12R1.11 [13CH3]C(=O)c1cc(cc(c1)CO)Cl 1458a_100009925505_200025704644 [0,2,0,0,0,0|2,0,0]=4 1459 B12R1.11 [13CH3]C(=O)c1cc(cc(c1)CO)F 1458a_100012278920_200025704644 [0,2,0,0,0,0|2,0,0]=4 1460 B12R1.11 [13CH3]Nc1cc(cc(c1)C(=O)N)F 34a_200011998915_200025704644 [0,2,0,0,0,0|2,0,0]=4 1461 B12R1.11 [13CH3]Nc1cc(cc(c1)C(=O)N)F 7a_200011998915_200025704644 [0,2,0,0,0,0|2,0,0]=4 1462 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])Br 34a_100000728782_200025704644 [0,2,0,0,0,0|2,0,0]=4 1463 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])Br 7a_100000728782_200025704644 [0,2,0,0,0,0|2,0,0]=4 1464 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100012181248_200025704644 [0,2,0,0,0,0|2,0,0]=4 1465 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100012181248_200025704644 [0,2,0,0,0,0|2,0,0]=4 1466 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])F 34a_100000756922_200025704644 [0,2,0,0,0,0|2,0,0]=4 1467 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])F 7a_100000756922_200025704644 [0,2,0,0,0,0|2,0,0]=4 1468 B12R1.11 [13CH3]Oc1cc(cc(c1)C(=O)N)Br 34a_100010084318_200025704644 [0,2,0,0,0,0|2,0,0]=4 1469 B12R1.11 [13CH3]Oc1cc(cc(c1)C(=O)N)Br 7a_100010084318_200025704644 [0,2,0,0,0,0|2,0,0]=4 1470 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Br 34a_100010219246_200025704644 [0,2,0,0,0,0|2,0,0]=4 1471 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Br 7a_100010219246_200025704644 [0,2,0,0,0,0|2,0,0]=4 1472 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100000118981_200025704644 [0,2,0,0,0,0|2,0,0]=4 1473 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100000118981_200025704644 [0,2,0,0,0,0|2,0,0]=4 1474 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])F 34a_100000690918_200025704644 [0,2,0,0,0,0|2,0,0]=4 1475 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])F 7a_100000690918_200025704644 [0,2,0,0,0,0|2,0,0]=4 1476 B12R1.11 [13CH3]Sc1cc(cc(c1)C(=O)N)F 62a_200011280034_200025704644 [0,2,0,0,0,0|2,0,0]=4 1477 B12R1.11 [13CH3]Sc1cc(cc(c1)C(=O)N)F 62a_200025704644_200011280034 [0,2,0,0,0,0|2,0,0]=4 1478 B12R1.11 [13CH3]Sc1cc(cc(c1)C(=O)N)O 62a_100010084318_200025704644 [0,2,0,0,0,0|2,0,0]=4 1479 B12R1.11 [13CH3]Sc1cc(cc(c1)C(=O)N)O 62a_200025704644_100010084318 [0,2,0,0,0,0|2,0,0]=4 1480 B12R1.511 CC(=O)c1cc(cc(c1Br)Br)C 1458a_200012920551_200000210301 [0,2,0,0,0,0|2,0,0]=4 1481 B12R1.511 CC(=O)c1cc(cc(c1Br)C)C 1458a_200000701928_200000210301 [0,2,0,0,0,0|2,0,0]=4 1482 B12R1.511 CC(=O)c1cc(cc(c1C)C)Br 1458a_100012920495_200000210301 [0,2,0,0,0,0|2,0,0]=4 1483 B12R1.511 CC(=O)c1cc(cc(c1Cl)C)F 1458a_200010768536_200000210301 [0,2,0,0,0,0|2,0,0]=4 1484 B12R1.511 CC(=O)c1cc(cc(c1F)Br)C 1458a_100009996753_200000210301 [0,2,0,0,0,0|2,0,0]=4 1485 B12R1.511 CC(=O)c1cc(cc(c1F)C)Br 1458a_100012928937_200000210301 [0,2,0,0,0,0|2,0,0]=4 1486 B12R1.511 CC(=O)c1cc(cc(c1F)F)C 1458a_100000094381_200000210301 [0,2,0,0,0,0|2,0,0]=4 1487 B12R1.511 CC(=O)c1cc(cc(c1O)C)Br 1458a_100011825902_200000210301 [0,2,0,0,0,0|2,0,0]=4 1488 B12R1.511 CC(=O)c1cc(cc(c1O)C)Cl 1458a_100011255218_200000210301 [0,2,0,0,0,0|2,0,0]=4 1489 B12R1.511 CC(=O)c1cc(cc(c1O)O)C 271570a_203496583355_100011659362 [0,2,0,0,0,0|2,0,0]=4 1490 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])Br)Br 1458a_200012920551_200025704644 [0,2,0,0,0,0|2,0,0]=4 1491 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])Br)C 1458a_200000701928_200025704644 [0,2,0,0,0,0|2,0,0]=4 1492 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])F)Br 1458a_100009996753_200025704644 [0,2,0,0,0,0|2,0,0]=4 1493 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])F)F 1458a_100000094381_200025704644 [0,2,0,0,0,0|2,0,0]=4 1494 B12R1.511 Cc1cc(cc(c1C)C(=O)[13CH3])Br 1458a_100012920495_200025704644 [0,2,0,0,0,0|2,0,0]=4 1495 B12R1.511 Cc1cc(cc(c1Cl)C(=O)[13CH3])F 1458a_200010768536_200025704644 [0,2,0,0,0,0|2,0,0]=4 1496 B12R1.511 Cc1cc(cc(c1F)C(=O)[13CH3])Br 1458a_100012928937_200025704644 [0,2,0,0,0,0|2,0,0]=4 1497 B12R1.511 Cc1cc(cc(c1O)C(=O)[13CH3])Br 1458a_100011825902_200025704644 [0,2,0,0,0,0|2,0,0]=4 1498 B12R1.511 Cc1cc(cc(c1O)C(=O)[13CH3])Cl 1458a_100011255218_200025704644 [0,2,0,0,0,0|2,0,0]=4 1499 B12R1.436 COc1cccc(c1)S(=O)(=O)[O-] 7a_100000116945_200000210301 [0,2,0,0,0,0|2,0,0]=4 1500 B12R1.436 [13CH3]Oc1cccc(c1)S(=O)(=O)[O-] 7a_100000116945_200025704644 [0,2,0,0,0,0|2,0,0]=4 1501 B12R1.87 C=Cc1c(cccc1C(=O)N)C 271570a_100011290941_200011409216 [0,2,0,0,0,0|2,0,0]=4 1502 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 34a_100009847209_200025704644 [0,2,0,0,0,0|2,0,0]=4 1503 B12R1.87 CC(=O)c1cccc(c1O[13CH3])C 7a_100009847209_200025704644 [0,2,0,0,0,0|2,0,0]=4 1504 B12R1.87 CNc1c(cccc1C(=O)N)C 34a_100000223273_200000210301 [0,2,0,0,0,0|2,0,0]=4 1505 B12R1.87 COc1c(cccc1C(=O)C)C 1458a_100000187929_200000210301 [0,2,0,0,0,0|2,0,0]=4 1506 B12R1.87 COc1c(cccc1C(=O)C)C 34a_100009847209_200000210301 [0,2,0,0,0,0|2,0,0]=4 1507 B12R1.87 COc1c(cccc1C(=O)C)C 7a_100009847209_200000210301 [0,2,0,0,0,0|2,0,0]=4 1508 B12R1.87 COc1c(cccc1C(=O)[13CH3])C 1458a_100000187929_200025704644 [0,2,0,0,0,0|2,0,0]=4 1509 B12R1.87 COc1c(cccc1[N+](=O)[O-])C 34a_100000763257_200000210301 [0,2,0,0,0,0|2,0,0]=4 1510 B12R1.87 COc1c(cccc1[N+](=O)[O-])C 7a_100000763257_200000210301 [0,2,0,0,0,0|2,0,0]=4 1511 B12R1.87 CSc1c(cccc1C(=O)N)C 62a_200000210301_200011409216 [0,2,0,0,0,0|2,0,0]=4 1512 B12R1.87 CSc1c(cccc1C(=O)N)C 62a_200011409216_200000210301 [0,2,0,0,0,0|2,0,0]=4 1513 B12R1.87 Cc1cccc(c1N[13CH3])C(=O)N 34a_100000223273_200025704644 [0,2,0,0,0,0|2,0,0]=4 1514 B12R1.87 Cc1cccc(c1O[13CH3])[N+](=O)[O-] 34a_100000763257_200025704644 [0,2,0,0,0,0|2,0,0]=4 1515 B12R1.87 Cc1cccc(c1O[13CH3])[N+](=O)[O-] 7a_100000763257_200025704644 [0,2,0,0,0,0|2,0,0]=4 1516 B12R1.87 Cc1cccc(c1S[13CH3])C(=O)N 62a_200011409216_200025704644 [0,2,0,0,0,0|2,0,0]=4 1517 B12R1.87 Cc1cccc(c1S[13CH3])C(=O)N 62a_200025704644_200011409216 [0,2,0,0,0,0|2,0,0]=4 1518 B12R1.440 CC(=O)c1cccc(c1C)O[13CH3] 34a_200009877264_200025704644 [0,2,0,0,0,0|2,0,0]=4 1519 B12R1.440 CC(=O)c1cccc(c1C)O[13CH3] 7a_200009877264_200025704644 [0,2,0,0,0,0|2,0,0]=4 1520 B12R1.440 CC(=O)c1cccc(c1C)S[13CH3] 62a_100012706834_200025704644 [0,2,0,0,0,0|2,0,0]=4 1521 B12R1.440 CC(=O)c1cccc(c1C)S[13CH3] 62a_200025704644_100012706834 [0,2,0,0,0,0|2,0,0]=4 1522 B12R1.440 CC(=O)c1cccc(c1F)O[13CH3] 34a_100009856408_200025704644 [0,2,0,0,0,0|2,0,0]=4 1523 B12R1.440 CC(=O)c1cccc(c1F)O[13CH3] 7a_100009856408_200025704644 [0,2,0,0,0,0|2,0,0]=4 1524 B12R1.440 CC(=O)c1cccc(c1F)S[13CH3] 62a_100012355707_200025704644 [0,2,0,0,0,0|2,0,0]=4 1525 B12R1.440 CC(=O)c1cccc(c1F)S[13CH3] 62a_200025704644_100012355707 [0,2,0,0,0,0|2,0,0]=4 1526 B12R1.440 CC(=O)c1cccc(c1N)O[13CH3] 7a_100000036053_200025704644 [0,2,0,0,0,0|2,0,0]=4 1527 B12R1.440 CNc1cccc(c1C)C(=O)N 34a_100000738810_200000210301 [0,2,0,0,0,0|2,0,0]=4 1528 B12R1.440 CNc1cccc(c1C)C(=O)N 7a_100000738810_200000210301 [0,2,0,0,0,0|2,0,0]=4 1529 B12R1.440 CNc1cccc(c1F)C(=O)N 34a_100014075672_200000210301 [0,2,0,0,0,0|2,0,0]=4 1530 B12R1.440 CNc1cccc(c1F)[N+](=O)[O-] 34a_100000055607_200000210301 [0,2,0,0,0,0|2,0,0]=4 1531 B12R1.440 COc1cccc(c1Br)C(=O)C 1458a_100010245468_200000210301 [0,2,0,0,0,0|2,0,0]=4 1532 B12R1.440 COc1cccc(c1Br)C(=O)[13CH3] 1458a_100010245468_200025704644 [0,2,0,0,0,0|2,0,0]=4 1533 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] 34a_100010197803_200000210301 [0,2,0,0,0,0|2,0,0]=4 1534 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] 7a_100010197803_200000210301 [0,2,0,0,0,0|2,0,0]=4 1535 B12R1.440 COc1cccc(c1C)C(=O)C 1458a_100011217801_200000210301 [0,2,0,0,0,0|2,0,0]=4 1536 B12R1.440 COc1cccc(c1C)C(=O)C 34a_200009877264_200000210301 [0,2,0,0,0,0|2,0,0]=4 1537 B12R1.440 COc1cccc(c1C)C(=O)C 7a_200009877264_200000210301 [0,2,0,0,0,0|2,0,0]=4 1538 B12R1.440 COc1cccc(c1C)C(=O)[13CH3] 1458a_100011217801_200025704644 [0,2,0,0,0,0|2,0,0]=4 1539 B12R1.440 COc1cccc(c1C)[N+](=O)[O-] 34a_100000740326_200000210301 [0,2,0,0,0,0|2,0,0]=4 1540 B12R1.440 COc1cccc(c1C)[N+](=O)[O-] 7a_100000740326_200000210301 [0,2,0,0,0,0|2,0,0]=4 1541 B12R1.440 COc1cccc(c1Cl)C(=O)C 1458a_100000068443_200000210301 [0,2,0,0,0,0|2,0,0]=4 1542 B12R1.440 COc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000068443_200025704644 [0,2,0,0,0,0|2,0,0]=4 1543 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] 34a_100012001863_200000210301 [0,2,0,0,0,0|2,0,0]=4 1544 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] 7a_100012001863_200000210301 [0,2,0,0,0,0|2,0,0]=4 1545 B12R1.440 COc1cccc(c1F)C(=O)C 1458a_100000766180_200000210301 [0,2,0,0,0,0|2,0,0]=4 1546 B12R1.440 COc1cccc(c1F)C(=O)C 34a_100009856408_200000210301 [0,2,0,0,0,0|2,0,0]=4 1547 B12R1.440 COc1cccc(c1F)C(=O)C 7a_100009856408_200000210301 [0,2,0,0,0,0|2,0,0]=4 1548 B12R1.440 COc1cccc(c1F)C(=O)N 34a_100009841371_200000210301 [0,2,0,0,0,0|2,0,0]=4 1549 B12R1.440 COc1cccc(c1F)C(=O)N 7a_100009841371_200000210301 [0,2,0,0,0,0|2,0,0]=4 1550 B12R1.440 COc1cccc(c1F)C(=O)[13CH3] 1458a_100000766180_200025704644 [0,2,0,0,0,0|2,0,0]=4 1551 B12R1.440 COc1cccc(c1F)[N+](=O)[O-] 34a_100000100933_200000210301 [0,2,0,0,0,0|2,0,0]=4 1552 B12R1.440 COc1cccc(c1F)[N+](=O)[O-] 7a_100000100933_200000210301 [0,2,0,0,0,0|2,0,0]=4 1553 B12R1.440 COc1cccc(c1I)C(=O)C 1458a_100010075502_200000210301 [0,2,0,0,0,0|2,0,0]=4 1554 B12R1.440 COc1cccc(c1I)C(=O)[13CH3] 1458a_100010075502_200025704644 [0,2,0,0,0,0|2,0,0]=4 1555 B12R1.440 COc1cccc(c1I)[N+](=O)[O-] 7a_100010176071_200000210301 [0,2,0,0,0,0|2,0,0]=4 1556 B12R1.440 COc1cccc(c1N)C(=O)C 7a_100000036053_200000210301 [0,2,0,0,0,0|2,0,0]=4 1557 B12R1.440 COc1cccc(c1N)[N+](=O)[O-] 7a_100000739591_200000210301 [0,2,0,0,0,0|2,0,0]=4 1558 B12R1.440 COc1cccc(c1O)C(=O)C 1458a_100000212136_200000210301 [0,2,0,0,0,0|2,0,0]=4 1559 B12R1.440 COc1cccc(c1O)C(=O)[13CH3] 1458a_100000212136_200025704644 [0,2,0,0,0,0|2,0,0]=4 1560 B12R1.440 CSc1cccc(c1C)C(=O)C 62a_100012706834_200000210301 [0,2,0,0,0,0|2,0,0]=4 1561 B12R1.440 CSc1cccc(c1C)C(=O)C 62a_200000210301_100012706834 [0,2,0,0,0,0|2,0,0]=4 1562 B12R1.440 CSc1cccc(c1C)C(=O)N 62a_200000210301_200012298201 [0,2,0,0,0,0|2,0,0]=4 1563 B12R1.440 CSc1cccc(c1C)C(=O)N 62a_200012298201_200000210301 [0,2,0,0,0,0|2,0,0]=4 1564 B12R1.440 CSc1cccc(c1F)C(=O)C 62a_100012355707_200000210301 [0,2,0,0,0,0|2,0,0]=4 1565 B12R1.440 CSc1cccc(c1F)C(=O)C 62a_200000210301_100012355707 [0,2,0,0,0,0|2,0,0]=4 1566 B12R1.440 CSc1cccc(c1F)C(=O)N 62a_100012351131_200000210301 [0,2,0,0,0,0|2,0,0]=4 1567 B12R1.440 CSc1cccc(c1F)C(=O)N 62a_200000210301_100012351131 [0,2,0,0,0,0|2,0,0]=4 1568 B12R1.440 CSc1cccc(c1N)C(=O)N 62a_100010144993_200000210301 [0,2,0,0,0,0|2,0,0]=4 1569 B12R1.440 Cc1c(cccc1C(=O)N)N[13CH3] 34a_100000738810_200025704644 [0,2,0,0,0,0|2,0,0]=4 1570 B12R1.440 Cc1c(cccc1C(=O)N)N[13CH3] 7a_100000738810_200025704644 [0,2,0,0,0,0|2,0,0]=4 1571 B12R1.440 Cc1c(cccc1C(=O)N)S[13CH3] 62a_200012298201_200025704644 [0,2,0,0,0,0|2,0,0]=4 1572 B12R1.440 Cc1c(cccc1C(=O)N)S[13CH3] 62a_200025704644_200012298201 [0,2,0,0,0,0|2,0,0]=4 1573 B12R1.440 Cc1c(cccc1[N+](=O)[O-])O[13CH3] 34a_100000740326_200025704644 [0,2,0,0,0,0|2,0,0]=4 1574 B12R1.440 Cc1c(cccc1[N+](=O)[O-])O[13CH3] 7a_100000740326_200025704644 [0,2,0,0,0,0|2,0,0]=4 1575 B12R1.440 [13CH3]Nc1cccc(c1F)C(=O)N 34a_100014075672_200025704644 [0,2,0,0,0,0|2,0,0]=4 1576 B12R1.440 [13CH3]Nc1cccc(c1F)[N+](=O)[O-] 34a_100000055607_200025704644 [0,2,0,0,0,0|2,0,0]=4 1577 B12R1.440 [13CH3]Oc1cccc(c1Br)[N+](=O)[O-] 34a_100010197803_200025704644 [0,2,0,0,0,0|2,0,0]=4 1578 B12R1.440 [13CH3]Oc1cccc(c1Br)[N+](=O)[O-] 7a_100010197803_200025704644 [0,2,0,0,0,0|2,0,0]=4 1579 B12R1.440 [13CH3]Oc1cccc(c1Cl)[N+](=O)[O-] 34a_100012001863_200025704644 [0,2,0,0,0,0|2,0,0]=4 1580 B12R1.440 [13CH3]Oc1cccc(c1Cl)[N+](=O)[O-] 7a_100012001863_200025704644 [0,2,0,0,0,0|2,0,0]=4 1581 B12R1.440 [13CH3]Oc1cccc(c1F)C(=O)N 34a_100009841371_200025704644 [0,2,0,0,0,0|2,0,0]=4 1582 B12R1.440 [13CH3]Oc1cccc(c1F)C(=O)N 7a_100009841371_200025704644 [0,2,0,0,0,0|2,0,0]=4 1583 B12R1.440 [13CH3]Oc1cccc(c1F)[N+](=O)[O-] 34a_100000100933_200025704644 [0,2,0,0,0,0|2,0,0]=4 1584 B12R1.440 [13CH3]Oc1cccc(c1F)[N+](=O)[O-] 7a_100000100933_200025704644 [0,2,0,0,0,0|2,0,0]=4 1585 B12R1.440 [13CH3]Oc1cccc(c1I)[N+](=O)[O-] 7a_100010176071_200025704644 [0,2,0,0,0,0|2,0,0]=4 1586 B12R1.440 [13CH3]Oc1cccc(c1N)[N+](=O)[O-] 7a_100000739591_200025704644 [0,2,0,0,0,0|2,0,0]=4 1587 B12R1.440 [13CH3]Sc1cccc(c1F)C(=O)N 62a_100012351131_200025704644 [0,2,0,0,0,0|2,0,0]=4 1588 B12R1.440 [13CH3]Sc1cccc(c1F)C(=O)N 62a_200025704644_100012351131 [0,2,0,0,0,0|2,0,0]=4 1589 B12R1.440 [13CH3]Sc1cccc(c1N)C(=O)N 62a_100010144993_200025704644 [0,2,0,0,0,0|2,0,0]=4 1590 B12R1.894 CC(=O)c1c(ccc(c1Br)C)F 1458a_100000720849_200000210301 [0,2,0,0,0,0|2,0,0]=4 1591 B12R1.894 CC(=O)c1c(ccc(c1Cl)C)Br 1458a_200010769262_200000210301 [0,2,0,0,0,0|2,0,0]=4 1592 B12R1.894 CC(=O)c1c(ccc(c1Cl)C)F 1458a_100000036856_200000210301 [0,2,0,0,0,0|2,0,0]=4 1593 B12R1.894 CC(=O)c1c(ccc(c1F)C)Br 1458a_100010271678_200000210301 [0,2,0,0,0,0|2,0,0]=4 1594 B12R1.894 CC(=O)c1c(ccc(c1F)C)Cl 1458a_100000039063_200000210301 [0,2,0,0,0,0|2,0,0]=4 1595 B12R1.894 CC(=O)c1c(ccc(c1F)C)F 1458a_100000692215_200000210301 [0,2,0,0,0,0|2,0,0]=4 1596 B12R1.894 CC(=O)c1c(ccc(c1O)C)C 1458a_100011255215_200000210301 [0,2,0,0,0,0|2,0,0]=4 1597 B12R1.894 Cc1ccc(c(c1Br)C(=O)[13CH3])F 1458a_100000720849_200025704644 [0,2,0,0,0,0|2,0,0]=4 1598 B12R1.894 Cc1ccc(c(c1Cl)C(=O)[13CH3])Br 1458a_200010769262_200025704644 [0,2,0,0,0,0|2,0,0]=4 1599 B12R1.894 Cc1ccc(c(c1Cl)C(=O)[13CH3])F 1458a_100000036856_200025704644 [0,2,0,0,0,0|2,0,0]=4 1600 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])Br 1458a_100010271678_200025704644 [0,2,0,0,0,0|2,0,0]=4 1601 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])Cl 1458a_100000039063_200025704644 [0,2,0,0,0,0|2,0,0]=4 1602 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])F 1458a_100000692215_200025704644 [0,2,0,0,0,0|2,0,0]=4 1603 B12R1.894 Cc1ccc(c(c1O)C(=O)[13CH3])C 1458a_100011255215_200025704644 [0,2,0,0,0,0|2,0,0]=4 1604 B12R1.46 C=Cc1ccc(cc1C(=O)C)C 271570a_100011290941_100012361225 [0,2,0,0,0,0|2,0,0]=4 1605 B12R1.46 C=Cc1ccc(cc1C(=O)N)C 271570a_100011290941_200012349609 [0,2,0,0,0,0|2,0,0]=4 1606 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 34a_100000195442_200025704644 [0,2,0,0,0,0|2,0,0]=4 1607 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 7a_100000195442_200025704644 [0,2,0,0,0,0|2,0,0]=4 1608 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_100012361225_200025704644 [0,2,0,0,0,0|2,0,0]=4 1609 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_200025704644_100012361225 [0,2,0,0,0,0|2,0,0]=4 1610 B12R1.46 CNc1ccc(cc1C(=O)N)C 34a_100011692829_200000210301 [0,2,0,0,0,0|2,0,0]=4 1611 B12R1.46 COc1cc[n+](cc1[N+](=O)[O-])[O-] 7a_100000047301_200000210301 [0,2,0,0,0,0|2,0,0]=4 1612 B12R1.46 COc1ccc(cc1C(=O)C)C 1458a_100000204667_200000210301 [0,2,0,0,0,0|2,0,0]=4 1613 B12R1.46 COc1ccc(cc1C(=O)C)C 34a_100000195442_200000210301 [0,2,0,0,0,0|2,0,0]=4 1614 B12R1.46 COc1ccc(cc1C(=O)C)C 7a_100000195442_200000210301 [0,2,0,0,0,0|2,0,0]=4 1615 B12R1.46 COc1ccc(cc1C(=O)N)C 34a_200000192840_200000210301 [0,2,0,0,0,0|2,0,0]=4 1616 B12R1.46 COc1ccc(cc1C(=O)N)C 7a_200000192840_200000210301 [0,2,0,0,0,0|2,0,0]=4 1617 B12R1.46 COc1ccc(cc1C(=O)[13CH3])C 1458a_100000204667_200025704644 [0,2,0,0,0,0|2,0,0]=4 1618 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C 34a_100000195567_200000210301 [0,2,0,0,0,0|2,0,0]=4 1619 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C 7a_100000195567_200000210301 [0,2,0,0,0,0|2,0,0]=4 1620 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_100012361225_200000210301 [0,2,0,0,0,0|2,0,0]=4 1621 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_200000210301_100012361225 [0,2,0,0,0,0|2,0,0]=4 1622 B12R1.46 CSc1ccc(cc1C(=O)N)C 62a_200000210301_200012349609 [0,2,0,0,0,0|2,0,0]=4 1623 B12R1.46 CSc1ccc(cc1C(=O)N)C 62a_200012349609_200000210301 [0,2,0,0,0,0|2,0,0]=4 1624 B12R1.46 Cc1ccc(c(c1)C(=O)N)N[13CH3] 34a_100011692829_200025704644 [0,2,0,0,0,0|2,0,0]=4 1625 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 34a_200000192840_200025704644 [0,2,0,0,0,0|2,0,0]=4 1626 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 7a_200000192840_200025704644 [0,2,0,0,0,0|2,0,0]=4 1627 B12R1.46 Cc1ccc(c(c1)C(=O)N)S[13CH3] 62a_200012349609_200025704644 [0,2,0,0,0,0|2,0,0]=4 1628 B12R1.46 Cc1ccc(c(c1)C(=O)N)S[13CH3] 62a_200025704644_200012349609 [0,2,0,0,0,0|2,0,0]=4 1629 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 34a_100000195567_200025704644 [0,2,0,0,0,0|2,0,0]=4 1630 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 7a_100000195567_200025704644 [0,2,0,0,0,0|2,0,0]=4 1631 B12R1.46 [13CH3]Oc1cc[n+](cc1[N+](=O)[O-])[O-] 7a_100000047301_200025704644 [0,2,0,0,0,0|2,0,0]=4 1632 B12R1.453 CC(=O)c1cc(ccc1Br)CO 1458a_100010259715_200000210301 [0,2,0,0,0,0|2,0,0]=4 1633 B12R1.453 CC(=O)c1cc(ccc1C)S[13CH3] 62a_100012706819_200025704644 [0,2,0,0,0,0|2,0,0]=4 1634 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 34a_100009867868_200025704644 [0,2,0,0,0,0|2,0,0]=4 1635 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 7a_100009867868_200025704644 [0,2,0,0,0,0|2,0,0]=4 1636 B12R1.453 CC(=O)c1cc(ccc1Cl)S[13CH3] 62a_100010712560_200025704644 [0,2,0,0,0,0|2,0,0]=4 1637 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 34a_100000091700_200025704644 [0,2,0,0,0,0|2,0,0]=4 1638 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 7a_100000091700_200025704644 [0,2,0,0,0,0|2,0,0]=4 1639 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_100000689017_200025704644 [0,2,0,0,0,0|2,0,0]=4 1640 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100010254839 [0,2,0,0,0,0|2,0,0]=4 1641 B12R1.453 CC(=O)c1cc(ccc1N)S[13CH3] 62a_100000695420_200025704644 [0,2,0,0,0,0|2,0,0]=4 1642 B12R1.453 CC(=O)c1cc(ccc1O)CO 1458a_200000045694_200000210301 [0,2,0,0,0,0|2,0,0]=4 1643 B12R1.453 CCc1ccc(c(c1)C(=O)C)O 1458a_200000748397_200000210301 [0,2,0,0,0,0|2,0,0]=4 1644 B12R1.453 CCc1ccc(c(c1)C(=O)[13CH3])O 1458a_200000748397_200025704644 [0,2,0,0,0,0|2,0,0]=4 1645 B12R1.453 CNc1ccc(c(c1)C(=O)N)Br 34a_100015186447_200000210301 [0,2,0,0,0,0|2,0,0]=4 1646 B12R1.453 CNc1ccc(c(c1)C(=O)N)Br 7a_100015186447_200000210301 [0,2,0,0,0,0|2,0,0]=4 1647 B12R1.453 CNc1ccc(c(c1)C(=O)N)C 34a_100000750465_200000210301 [0,2,0,0,0,0|2,0,0]=4 1648 B12R1.453 CNc1ccc(c(c1)C(=O)N)C 7a_100000750465_200000210301 [0,2,0,0,0,0|2,0,0]=4 1649 B12R1.453 CNc1ccc(c(c1)C(=O)N)Cl 34a_100000736848_200000210301 [0,2,0,0,0,0|2,0,0]=4 1650 B12R1.453 CNc1ccc(c(c1)C(=O)N)Cl 7a_100000736848_200000210301 [0,2,0,0,0,0|2,0,0]=4 1651 B12R1.453 CNc1ccc(c(c1)C(=O)N)F 34a_100000738046_200000210301 [0,2,0,0,0,0|2,0,0]=4 1652 B12R1.453 CNc1ccc(c(c1)C(=O)N)F 7a_100000738046_200000210301 [0,2,0,0,0,0|2,0,0]=4 1653 B12R1.453 CNc1ccc(c(c1)[N+](=O)[O-])C 34a_100000210030_200000210301 [0,2,0,0,0,0|2,0,0]=4 1654 B12R1.453 CNc1ccc(c(c1)[N+](=O)[O-])F 34a_100000185763_200000210301 [0,2,0,0,0,0|2,0,0]=4 1655 B12R1.453 COc1ccc(c(c1)C(=O)C)Br 1458a_100000211723_200000210301 [0,2,0,0,0,0|2,0,0]=4 1656 B12R1.453 COc1ccc(c(c1)C(=O)C)C 1458a_100011399813_200000210301 [0,2,0,0,0,0|2,0,0]=4 1657 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 1458a_100000763818_200000210301 [0,2,0,0,0,0|2,0,0]=4 1658 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 34a_100009867868_200000210301 [0,2,0,0,0,0|2,0,0]=4 1659 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 7a_100009867868_200000210301 [0,2,0,0,0,0|2,0,0]=4 1660 B12R1.453 COc1ccc(c(c1)C(=O)C)F 1458a_100011217016_200000210301 [0,2,0,0,0,0|2,0,0]=4 1661 B12R1.453 COc1ccc(c(c1)C(=O)C)F 34a_100000091700_200000210301 [0,2,0,0,0,0|2,0,0]=4 1662 B12R1.453 COc1ccc(c(c1)C(=O)C)F 7a_100000091700_200000210301 [0,2,0,0,0,0|2,0,0]=4 1663 B12R1.453 COc1ccc(c(c1)C(=O)C)I 1458a_100012339533_200000210301 [0,2,0,0,0,0|2,0,0]=4 1664 B12R1.453 COc1ccc(c(c1)C(=O)C)O 1458a_100000211986_200000210301 [0,2,0,0,0,0|2,0,0]=4 1665 B12R1.453 COc1ccc(c(c1)C(=O)C)O 271570a_203496583355_100011360761 [0,2,0,0,0,0|2,0,0]=4 1666 B12R1.453 COc1ccc(c(c1)C(=O)N)O 271570a_203496583355_100000162014 [0,2,0,0,0,0|2,0,0]=4 1667 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000211723_200025704644 [0,2,0,0,0,0|2,0,0]=4 1668 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])C 1458a_100011399813_200025704644 [0,2,0,0,0,0|2,0,0]=4 1669 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000763818_200025704644 [0,2,0,0,0,0|2,0,0]=4 1670 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])F 1458a_100011217016_200025704644 [0,2,0,0,0,0|2,0,0]=4 1671 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])I 1458a_100012339533_200025704644 [0,2,0,0,0,0|2,0,0]=4 1672 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000211986_200025704644 [0,2,0,0,0,0|2,0,0]=4 1673 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br 34a_100012232398_200000210301 [0,2,0,0,0,0|2,0,0]=4 1674 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br 7a_100012232398_200000210301 [0,2,0,0,0,0|2,0,0]=4 1675 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])C 34a_100000742313_200000210301 [0,2,0,0,0,0|2,0,0]=4 1676 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])C 7a_100000742313_200000210301 [0,2,0,0,0,0|2,0,0]=4 1677 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl 34a_100000718020_200000210301 [0,2,0,0,0,0|2,0,0]=4 1678 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000718020_200000210301 [0,2,0,0,0,0|2,0,0]=4 1679 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])F 34a_100011294462_200000210301 [0,2,0,0,0,0|2,0,0]=4 1680 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])F 7a_100011294462_200000210301 [0,2,0,0,0,0|2,0,0]=4 1681 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])I 7a_100000031453_200000210301 [0,2,0,0,0,0|2,0,0]=4 1682 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])N 34a_100000740891_200000210301 [0,2,0,0,0,0|2,0,0]=4 1683 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])N 7a_100000740891_200000210301 [0,2,0,0,0,0|2,0,0]=4 1684 B12R1.453 CSc1ccc(c(c1)C(=O)C)C 62a_100012706819_200000210301 [0,2,0,0,0,0|2,0,0]=4 1685 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 1458a_100000212015_200000210301 [0,2,0,0,0,0|2,0,0]=4 1686 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_200000210301 [0,2,0,0,0,0|2,0,0]=4 1687 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 1458a_200012183283_200000210301 [0,2,0,0,0,0|2,0,0]=4 1688 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_100000689017_200000210301 [0,2,0,0,0,0|2,0,0]=4 1689 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_200000210301_100010254839 [0,2,0,0,0,0|2,0,0]=4 1690 B12R1.453 CSc1ccc(c(c1)C(=O)C)N 62a_100000695420_200000210301 [0,2,0,0,0,0|2,0,0]=4 1691 B12R1.453 CSc1ccc(c(c1)C(=O)N)C 62a_100012257281_200000210301 [0,2,0,0,0,0|2,0,0]=4 1692 B12R1.453 CSc1ccc(c(c1)C(=O)N)C 62a_200000210301_100012257281 [0,2,0,0,0,0|2,0,0]=4 1693 B12R1.453 CSc1ccc(c(c1)C(=O)N)F 62a_100000162119_200000210301 [0,2,0,0,0,0|2,0,0]=4 1694 B12R1.453 CSc1ccc(c(c1)C(=O)N)N 62a_100000740421_200000210301 [0,2,0,0,0,0|2,0,0]=4 1695 B12R1.453 CSc1ccc(c(c1)C(=O)N)O 62a_100000192807_200000210301 [0,2,0,0,0,0|2,0,0]=4 1696 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000212015_200025704644 [0,2,0,0,0,0|2,0,0]=4 1697 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])F 1458a_200012183283_200025704644 [0,2,0,0,0,0|2,0,0]=4 1698 B12R1.453 Cc1ccc(cc1C(=O)N)N[13CH3] 34a_100000750465_200025704644 [0,2,0,0,0,0|2,0,0]=4 1699 B12R1.453 Cc1ccc(cc1C(=O)N)N[13CH3] 7a_100000750465_200025704644 [0,2,0,0,0,0|2,0,0]=4 1700 B12R1.453 Cc1ccc(cc1C(=O)N)S[13CH3] 62a_100012257281_200025704644 [0,2,0,0,0,0|2,0,0]=4 1701 B12R1.453 Cc1ccc(cc1C(=O)N)S[13CH3] 62a_200025704644_100012257281 [0,2,0,0,0,0|2,0,0]=4 1702 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])N[13CH3] 34a_100000210030_200025704644 [0,2,0,0,0,0|2,0,0]=4 1703 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])O[13CH3] 34a_100000742313_200025704644 [0,2,0,0,0,0|2,0,0]=4 1704 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])O[13CH3] 7a_100000742313_200025704644 [0,2,0,0,0,0|2,0,0]=4 1705 B12R1.453 [13CH3]C(=O)c1cc(ccc1Br)CO 1458a_100010259715_200025704644 [0,2,0,0,0,0|2,0,0]=4 1706 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)CO 1458a_200000045694_200025704644 [0,2,0,0,0,0|2,0,0]=4 1707 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Br 34a_100015186447_200025704644 [0,2,0,0,0,0|2,0,0]=4 1708 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Br 7a_100015186447_200025704644 [0,2,0,0,0,0|2,0,0]=4 1709 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Cl 34a_100000736848_200025704644 [0,2,0,0,0,0|2,0,0]=4 1710 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Cl 7a_100000736848_200025704644 [0,2,0,0,0,0|2,0,0]=4 1711 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)F 34a_100000738046_200025704644 [0,2,0,0,0,0|2,0,0]=4 1712 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)F 7a_100000738046_200025704644 [0,2,0,0,0,0|2,0,0]=4 1713 B12R1.453 [13CH3]Nc1ccc(c(c1)[N+](=O)[O-])F 34a_100000185763_200025704644 [0,2,0,0,0,0|2,0,0]=4 1714 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Br 34a_100012232398_200025704644 [0,2,0,0,0,0|2,0,0]=4 1715 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Br 7a_100012232398_200025704644 [0,2,0,0,0,0|2,0,0]=4 1716 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Cl 34a_100000718020_200025704644 [0,2,0,0,0,0|2,0,0]=4 1717 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000718020_200025704644 [0,2,0,0,0,0|2,0,0]=4 1718 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])F 34a_100011294462_200025704644 [0,2,0,0,0,0|2,0,0]=4 1719 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])F 7a_100011294462_200025704644 [0,2,0,0,0,0|2,0,0]=4 1720 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])I 7a_100000031453_200025704644 [0,2,0,0,0,0|2,0,0]=4 1721 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])N 34a_100000740891_200025704644 [0,2,0,0,0,0|2,0,0]=4 1722 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])N 7a_100000740891_200025704644 [0,2,0,0,0,0|2,0,0]=4 1723 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)F 62a_100000162119_200025704644 [0,2,0,0,0,0|2,0,0]=4 1724 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)N 62a_100000740421_200025704644 [0,2,0,0,0,0|2,0,0]=4 1725 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)O 62a_100000192807_200025704644 [0,2,0,0,0,0|2,0,0]=4 1726 B12R1.258 C=C(C)c1cccc(c1)C(=O)C 271570a_100000694244_100000210093 [0,2,0,0,0,0|2,0,0]=4 1727 B12R1.258 C=C(C)c1cccc(c1)C(=O)N 271570a_100000694244_100000162208 [0,2,0,0,0,0|2,0,0]=4 1728 B12R1.258 CC(=O)c1cccc(c1)C(=O)N 1458a_100000736676_200000210301 [0,2,0,0,0,0|2,0,0]=4 1729 B12R1.258 CC(=O)c1cccc(c1)C(C)C 1458a_100011934808_200000210301 [0,2,0,0,0,0|2,0,0]=4 1730 B12R1.258 CC(=O)c1cccc(c1)C(C)O 1458a_100000090953_200000210301 [0,2,0,0,0,0|2,0,0]=4 1731 B12R1.258 CC(=O)c1cccc(c1)C(F)F 1458a_100000752119_200000210301 [0,2,0,0,0,0|2,0,0]=4 1732 B12R1.258 CC(=O)c1cccc(c1)N(C)C 1458a_100000210872_200000210301 [0,2,0,0,0,0|2,0,0]=4 1733 B12R1.258 CC(=O)c1cccc(c1)[N+](=O)[O-] 1458a_100000185806_200000210301 [0,2,0,0,0,0|2,0,0]=4 1734 B12R1.258 CC(C)c1cccc(c1)C(=O)[13CH3] 1458a_100011934808_200025704644 [0,2,0,0,0,0|2,0,0]=4 1735 B12R1.258 CC(O)c1cccc(c1)C(=O)[13CH3] 1458a_100000090953_200025704644 [0,2,0,0,0,0|2,0,0]=4 1736 B12R1.258 CN(C)c1cccc(c1)C(=O)[13CH3] 1458a_100000210872_200025704644 [0,2,0,0,0,0|2,0,0]=4 1737 B12R1.258 CN(C)c1cccc(c1)[N+](=O)[O-] 269982a_102515432896_200000210301 [0,2,0,0,0,0|2,0,0]=4 1738 B12R1.258 CN(C)c1cccc(c1)[N+](=O)[O-] 34a_102515432896_200000210301 [0,2,0,0,0,0|2,0,0]=4 1739 B12R1.258 CN([13CH3])c1cccc(c1)[N+](=O)[O-] 269982a_102515432896_200025704644 [0,2,0,0,0,0|2,0,0]=4 1740 B12R1.258 CN([13CH3])c1cccc(c1)[N+](=O)[O-] 34a_102515432896_200025704644 [0,2,0,0,0,0|2,0,0]=4 1741 B12R1.258 [13CH3]C(=O)c1cccc(c1)C(=O)N 1458a_100000736676_200025704644 [0,2,0,0,0,0|2,0,0]=4 1742 B12R1.258 [13CH3]C(=O)c1cccc(c1)C(F)F 1458a_100000752119_200025704644 [0,2,0,0,0,0|2,0,0]=4 1743 B12R1.258 [13CH3]C(=O)c1cccc(c1)[N+](=O)[O-] 1458a_100000185806_200025704644 [0,2,0,0,0,0|2,0,0]=4 1744 B12R1.279 CC(=O)c1cccc(c1)CC#N 1458a_100000027370_200000210301 [0,2,0,0,0,0|2,0,0]=4 1745 B12R1.279 CC(=O)c1cccc(c1)CCO 1458a_100009869812_200000210301 [0,2,0,0,0,0|2,0,0]=4 1746 B12R1.279 CC(=O)c1cccc(c1)CS[13CH3] 62a_100000084091_200025704644 [0,2,0,0,0,0|2,0,0]=4 1747 B12R1.279 CC(=O)c1cccc(c1)CS[13CH3] 62a_200025704644_100000084091 [0,2,0,0,0,0|2,0,0]=4 1748 B12R1.279 CC(=O)c1cccc(c1)OCF 34a_100000211620_100015361967 [0,2,0,0,0,0|2,0,0]=4 1749 B12R1.279 CC(=O)c1cccc(c1)OCF 7a_100000211620_100015361967 [0,2,0,0,0,0|2,0,0]=4 1750 B12R1.279 CC(=O)c1cccc(c1)SCF 62a_100000210093_100015361967 [0,2,0,0,0,0|2,0,0]=4 1751 B12R1.279 CC(=O)c1cccc(c1)SCF 62a_100015361967_100000210093 [0,2,0,0,0,0|2,0,0]=4 1752 B12R1.279 CC=Cc1cccc(c1)C(=O)C 271570a_100016259895_100000210093 [0,2,0,0,0,0|2,0,0]=4 1753 B12R1.279 CC=Cc1cccc(c1)C(=O)N 271570a_100016259895_100000162208 [0,2,0,0,0,0|2,0,0]=4 1754 B12R1.279 CCNc1cccc(c1)C(=O)N 34a_100000217337_100000210202 [0,2,0,0,0,0|2,0,0]=4 1755 B12R1.279 CCNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_100000210202 [0,2,0,0,0,0|2,0,0]=4 1756 B12R1.279 CCOc1cccc(c1)C(=O)C 1458a_100000216331_200000210301 [0,2,0,0,0,0|2,0,0]=4 1757 B12R1.279 CCOc1cccc(c1)C(=O)C 34a_100000211620_100000210202 [0,2,0,0,0,0|2,0,0]=4 1758 B12R1.279 CCOc1cccc(c1)C(=O)C 7a_100000211620_100000210202 [0,2,0,0,0,0|2,0,0]=4 1759 B12R1.279 CCOc1cccc(c1)C(=O)N 34a_100000162170_100000210202 [0,2,0,0,0,0|2,0,0]=4 1760 B12R1.279 CCOc1cccc(c1)C(=O)N 7a_100000162170_100000210202 [0,2,0,0,0,0|2,0,0]=4 1761 B12R1.279 CCOc1cccc(c1)C(=O)[13CH3] 1458a_100000216331_200025704644 [0,2,0,0,0,0|2,0,0]=4 1762 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100000210202 [0,2,0,0,0,0|2,0,0]=4 1763 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100000210202 [0,2,0,0,0,0|2,0,0]=4 1764 B12R1.279 CCSc1cccc(c1)C(=O)C 62a_100000210093_100000210202 [0,2,0,0,0,0|2,0,0]=4 1765 B12R1.279 CCSc1cccc(c1)C(=O)C 62a_100000210202_100000210093 [0,2,0,0,0,0|2,0,0]=4 1766 B12R1.279 CCSc1cccc(c1)C(=O)N 62a_100000162208_100000210202 [0,2,0,0,0,0|2,0,0]=4 1767 B12R1.279 CCSc1cccc(c1)C(=O)N 62a_100000210202_100000162208 [0,2,0,0,0,0|2,0,0]=4 1768 B12R1.279 CNCc1cccc(c1)C(=O)C 2230a_106832991635_100000084091 [0,2,0,0,0,0|2,0,0]=4 1769 B12R1.279 CNCc1cccc(c1)C(=O)C 26a_100102657272_100000211620 [0,2,0,0,0,0|2,0,0]=4 1770 B12R1.279 CNCc1cccc(c1)C(=O)C 34a_100102657272_100000084091 [0,2,0,0,0,0|2,0,0]=4 1771 B12R1.279 CNCc1cccc(c1)C(=O)C 7a_106832991635_100000084091 [0,2,0,0,0,0|2,0,0]=4 1772 B12R1.279 CNCc1cccc(c1)C(=O)N 207a_100102657272_100000059704 [0,2,0,0,0,0|2,0,0]=4 1773 B12R1.279 CNCc1cccc(c1)C(=O)N 2230a_100000746036_200000210301 [0,2,0,0,0,0|2,0,0]=4 1774 B12R1.279 CNCc1cccc(c1)C(=O)N 2230a_106832991635_100000738444 [0,2,0,0,0,0|2,0,0]=4 1775 B12R1.279 CNCc1cccc(c1)C(=O)N 270004a_106832991635_100000059704 [0,2,0,0,0,0|2,0,0]=4 1776 B12R1.279 CNCc1cccc(c1)C(=O)N 34a_100102657272_100000738444 [0,2,0,0,0,0|2,0,0]=4 1777 B12R1.279 CNCc1cccc(c1)C(=O)N 7a_106832991635_100000738444 [0,2,0,0,0,0|2,0,0]=4 1778 B12R1.279 CNCc1cccc(c1)C(=O)O 269956a_100000752609_200000210301 [0,2,0,0,0,0|1,0,1]=4 1779 B12R1.279 CNCc1cccc(c1)C(=O)[O-] 26a_100102657272_200020627138 [0,2,0,0,0,0|1,0,0]=3 1780 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 207a_100102657272_100000185827 [0,2,0,0,0,0|2,0,0]=4 1781 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 2230a_100000755791_200000210301 [0,2,0,0,0,0|2,0,0]=4 1782 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 2230a_106832991635_100000737091 [0,2,0,0,0,0|2,0,0]=4 1783 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 26a_100102657272_100000185994 [0,2,0,0,0,0|2,0,0]=4 1784 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 270004a_106832991635_100000185827 [0,2,0,0,0,0|2,0,0]=4 1785 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 34a_100000755791_200000210301 [0,2,0,0,0,0|2,0,0]=4 1786 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 34a_100102657272_100000737091 [0,2,0,0,0,0|2,0,0]=4 1787 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 7a_106832991635_100000737091 [0,2,0,0,0,0|2,0,0]=4 1788 B12R1.279 COCc1cccc(c1)C(=O)C 1458a_100000199024_200000210301 [0,2,0,0,0,0|2,0,0]=4 1789 B12R1.279 COCc1cccc(c1)C(=O)C 34a_100138415774_100000084091 [0,2,0,0,0,0|2,0,0]=4 1790 B12R1.279 COCc1cccc(c1)C(=O)N 34a_100138415774_100000738444 [0,2,0,0,0,0|2,0,0]=4 1791 B12R1.279 COCc1cccc(c1)C(=O)[13CH3] 1458a_100000199024_200025704644 [0,2,0,0,0,0|2,0,0]=4 1792 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 34a_100000238370_200000210301 [0,2,0,0,0,0|2,0,0]=4 1793 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 34a_100138415774_100000737091 [0,2,0,0,0,0|2,0,0]=4 1794 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 7a_100000238370_200000210301 [0,2,0,0,0,0|2,0,0]=4 1795 B12R1.279 CSCc1cccc(c1)C(=O)C 62a_100000084091_200000210301 [0,2,0,0,0,0|2,0,0]=4 1796 B12R1.279 CSCc1cccc(c1)C(=O)C 62a_200000210301_100000084091 [0,2,0,0,0,0|2,0,0]=4 1797 B12R1.279 CSCc1cccc(c1)C(=O)N 62a_100000738444_200000210301 [0,2,0,0,0,0|2,0,0]=4 1798 B12R1.279 CSCc1cccc(c1)C(=O)N 62a_200000210301_100000738444 [0,2,0,0,0,0|2,0,0]=4 1799 B12R1.279 CSCc1cccc(c1)[N+](=O)[O-] 62a_100000187168_200000210301 [0,2,0,0,0,0|2,0,0]=4 1800 B12R1.279 CSCc1cccc(c1)[N+](=O)[O-] 62a_200000210301_100000737091 [0,2,0,0,0,0|2,0,0]=4 1801 B12R1.279 NC(=O)c1cccc(c1)NCF 34a_100000217337_100015361967 [0,2,0,0,0,0|2,0,0]=4 1802 B12R1.279 NC(=O)c1cccc(c1)OCF 34a_100000162170_100015361967 [0,2,0,0,0,0|2,0,0]=4 1803 B12R1.279 NC(=O)c1cccc(c1)OCF 7a_100000162170_100015361967 [0,2,0,0,0,0|2,0,0]=4 1804 B12R1.279 NC(=O)c1cccc(c1)SCF 62a_100000162208_100015361967 [0,2,0,0,0,0|2,0,0]=4 1805 B12R1.279 NC(=O)c1cccc(c1)SCF 62a_100015361967_100000162208 [0,2,0,0,0,0|2,0,0]=4 1806 B12R1.279 O=[N+]([O-])c1cccc(c1)NCF 34a_100000184103_100015361967 [0,2,0,0,0,0|2,0,0]=4 1807 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF 34a_100000185994_100015361967 [0,2,0,0,0,0|2,0,0]=4 1808 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF 7a_100000185994_100015361967 [0,2,0,0,0,0|2,0,0]=4 1809 B12R1.279 [13CH3]C(=O)c1cccc(c1)CC#N 1458a_100000027370_200025704644 [0,2,0,0,0,0|2,0,0]=4 1810 B12R1.279 [13CH3]C(=O)c1cccc(c1)CCO 1458a_100009869812_200025704644 [0,2,0,0,0,0|2,0,0]=4 1811 B12R1.279 [13CH3]NCc1cccc(c1)C(=O)N 2230a_100000746036_200025704644 [0,2,0,0,0,0|2,0,0]=4 1812 B12R1.279 [13CH3]NCc1cccc(c1)C(=O)O 269956a_100000752609_200025704644 [0,2,0,0,0,0|1,0,1]=4 1813 B12R1.279 [13CH3]NCc1cccc(c1)[N+](=O)[O-] 2230a_100000755791_200025704644 [0,2,0,0,0,0|2,0,0]=4 1814 B12R1.279 [13CH3]NCc1cccc(c1)[N+](=O)[O-] 34a_100000755791_200025704644 [0,2,0,0,0,0|2,0,0]=4 1815 B12R1.279 [13CH3]OCc1cccc(c1)[N+](=O)[O-] 34a_100000238370_200025704644 [0,2,0,0,0,0|2,0,0]=4 1816 B12R1.279 [13CH3]OCc1cccc(c1)[N+](=O)[O-] 7a_100000238370_200025704644 [0,2,0,0,0,0|2,0,0]=4 1817 B12R1.279 [13CH3]SCc1cccc(c1)C(=O)N 62a_100000738444_200025704644 [0,2,0,0,0,0|2,0,0]=4 1818 B12R1.279 [13CH3]SCc1cccc(c1)C(=O)N 62a_200025704644_100000738444 [0,2,0,0,0,0|2,0,0]=4 1819 B12R1.279 [13CH3]SCc1cccc(c1)[N+](=O)[O-] 62a_100000187168_200025704644 [0,2,0,0,0,0|2,0,0]=4 1820 B12R1.279 [13CH3]SCc1cccc(c1)[N+](=O)[O-] 62a_200025704644_100000737091 [0,2,0,0,0,0|2,0,0]=4 1821 B10R1.4 CC=Cc1ccc[nH]c1=O 271570a_100016259895_100000050042 [0,0,1,1,0,0|2,0,0]=4 1822 B12R2.1384 CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_200000210301 [0,1,0,1,0,0|2,0,0]=4 1823 B12R2.1384 [13CH3]C(=O)c1ccc2c(c1)CC2 1458a_100000137882_200025704644 [0,1,0,1,0,0|2,0,0]=4 1824 B10R0.6 C/C=C/C=CC(=O)CC(=O)[O-] 1458a_100000185730_100020667443 [0,0,1,0,0,1|2,0,0]=4 1825 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,0,0,0,1|2,0,0]=4 1826 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,0,0,0,0,1|1,0,1]=4 1827 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,0,0,0,0,1|1,0,1]=4 1828 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,0,0,0,1|2,0,0]=4 1829 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,0,0,0,1|2,0,0]=4 1830 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,0,0,0,1|2,0,0]=4 1831 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,0,0,0,1|2,0,0]=4 1832 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,0,0,0,0,1|1,0,1]=4 1833 B12R1.226 C=C(C)CSc1ccc[n+](c1)C 62a_100000748629_100009996589 [0,0,0,0,0,2|2,0,0]=4 1834 B12R1.226 C=C(C)CSc1ccc[n+](c1)C 62a_100009996589_100000211660 [0,0,0,0,0,2|2,0,0]=4 1835 B12R1.226 C=C(F)CSc1ccc[n+](c1)C 62a_100000042424_100009996589 [0,0,0,0,0,2|2,0,0]=4 1836 B12R1.226 C=C(F)CSc1ccc[n+](c1)C 62a_100009996589_100000042424 [0,0,0,0,0,2|2,0,0]=4 1837 B12R1.226 CC(=O)C#Cc1cccc(c1)C 1458a_100011892726_200000210301 [0,0,0,0,0,2|2,0,0]=4 1838 B12R1.226 CC(=O)C=Cc1cccc(c1)C 1458a_100000690095_200000210301 [0,0,0,0,0,2|2,0,0]=4 1839 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000070787_100011713685 [0,0,0,0,0,2|2,0,0]=4 1840 B12R1.226 CC(=O)CCc1cccc(c1)C 1458a_100000234952_200000210301 [0,0,0,0,0,2|2,0,0]=4 1841 B12R1.226 CC(=O)COc1cccc(c1)C 1458a_100000183606_200000210301 [0,0,0,0,0,2|2,0,0]=4 1842 B12R1.226 CC(=O)NCc1cccc(c1)C 11a_100000185548_100015343762 [0,0,0,0,0,2|2,0,0]=4 1843 B12R1.226 CC(=O)NCc1cccc(c1)C 1626a_100000185548_100015343762 [0,0,0,0,0,2|2,0,0]=4 1844 B12R1.226 CC(=O)NCc1cccc(c1)C 240690a_100000185548_100015343762 [0,0,0,0,0,2|2,0,0]=4 1845 B12R1.226 CC(=O)NCc1cccc(c1)C 527a_100000185548_100103153847 [0,0,0,0,0,2|2,0,0]=4 1846 B12R1.226 CC(=O)NNc1cccc(c1)C 22a_100000681630_100000070787 [0,0,0,0,0,2|2,0,0]=4 1847 B12R1.226 C[n+]1cccc(c1)SCC(=O)N 62a_100000747473_100009996589 [0,0,0,0,0,2|1,0,0]=3 1848 B12R1.226 C[n+]1cccc(c1)SCC(=O)N 62a_100009996589_100000747473 [0,0,0,0,0,2|1,0,0]=3 1849 B12R1.226 C[n+]1cccc(c1)SCC(=O)[O-] 62a_100009996589_100020667443 [0,0,0,0,0,2|0,0,0]=2 1850 B12R1.226 C[n+]1cccc(c1)SCC(=O)[O-] 62a_100020667443_100009996589 [0,0,0,0,0,2|0,0,0]=2 1851 B12R1.226 C[n+]1cccc(c1)SC[N+](=O)[O-] 62a_100009996589_100000761209 [0,0,0,0,0,2|1,0,0]=3 1852 B12R1.226 Cc1cc(ccn1)OCC(=O)[O-] 34a_100000688365_100020667443 [0,0,0,0,0,2|2,0,0]=4 1853 B12R1.226 Cc1cc(ccn1)SCC(=O)[O-] 62a_100000758586_100020667443 [0,0,0,0,0,2|2,0,0]=4 1854 B12R1.226 Cc1cc(ccn1)SCC(=O)[O-] 62a_100020667443_100000758586 [0,0,0,0,0,2|2,0,0]=4 1855 B12R1.226 Cc1cccc(c1)C#CC(=O)[13CH3] 1458a_100011892726_200025704644 [0,0,0,0,0,2|2,0,0]=4 1856 B12R1.226 Cc1cccc(c1)C=CC(=O)[13CH3] 1458a_100000690095_200025704644 [0,0,0,0,0,2|2,0,0]=4 1857 B12R1.226 Cc1cccc(c1)CCC(=O)[13CH3] 1458a_100000234952_200025704644 [0,0,0,0,0,2|2,0,0]=4 1858 B12R1.226 Cc1cccc(c1)NCC(=O)N 2230a_100000188690_100000747473 [0,0,0,0,0,2|2,0,0]=4 1859 B12R1.226 Cc1cccc(c1)NCC(=O)N 34a_100000188690_100000187820 [0,0,0,0,0,2|2,0,0]=4 1860 B12R1.226 Cc1cccc(c1)NCC(=O)[O-] 34a_100000188690_100020667443 [0,0,0,0,0,2|1,0,0]=3 1861 B12R1.226 Cc1cccc(c1)NC[N+](=O)[O-] 34a_100000188690_100000761209 [0,0,0,0,0,2|2,0,0]=4 1862 B12R1.226 Cc1cccc(c1)OCC(=O)N 34a_100000210337_100000187820 [0,0,0,0,0,2|2,0,0]=4 1863 B12R1.226 Cc1cccc(c1)OCC(=O)N 7a_100000210337_100000187820 [0,0,0,0,0,2|2,0,0]=4 1864 B12R1.226 Cc1cccc(c1)OCC(=O)[13CH3] 1458a_100000183606_200025704644 [0,0,0,0,0,2|2,0,0]=4 1865 B12R1.226 Cc1cccc(c1)OCC(=O)[O-] 34a_100000210337_100020667443 [0,0,0,0,0,2|1,0,0]=3 1866 B12R1.226 Cc1cccc(c1)OC[N+](=O)[O-] 34a_100000210337_100000761209 [0,0,0,0,0,2|2,0,0]=4 1867 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100000747473_100011215228 [0,0,0,0,0,2|2,0,0]=4 1868 B12R1.226 Cc1cccc(c1)SCC(=O)N 62a_100011215228_100000747473 [0,0,0,0,0,2|2,0,0]=4 1869 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100011215228_100020667443 [0,0,0,0,0,2|1,0,0]=3 1870 B12R1.226 Cc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100011215228 [0,0,0,0,0,2|1,0,0]=3 1871 B12R1.226 Cc1cccc(c1)SC[N+](=O)[O-] 62a_100011215228_100000761209 [0,0,0,0,0,2|2,0,0]=4 1872 B12R1.226 Cc1cccc(n1)SCC(=O)[O-] 62a_100000742759_100020667443 [0,0,0,0,0,2|2,0,0]=4 1873 B12R1.226 Cc1cccc(n1)SCC(=O)[O-] 62a_100020667443_100000742759 [0,0,0,0,0,2|2,0,0]=4 1874 B12R1.226 Cc1ccnc(c1)SCC(=O)[O-] 62a_100000750283_100020667443 [0,0,0,0,0,2|2,0,0]=4 1875 B12R1.226 Cc1ccnc(c1)SCC(=O)[O-] 62a_100020667443_100000750283 [0,0,0,0,0,2|2,0,0]=4 1876 B12R1.226 Cc1cncc(c1)OCC(=O)[O-] 34a_100011830280_100020667443 [0,0,0,0,0,2|2,0,0]=4 1877 B12R1.226 Cc1cncc(c1)SCC(=O)[O-] 62a_100000760492_100020667443 [0,0,0,0,0,2|2,0,0]=4 1878 B12R1.226 Cc1cncc(c1)SCC(=O)[O-] 62a_100020667443_100000760492 [0,0,0,0,0,2|2,0,0]=4 1879 B12R1.226 NC(=O)COc1ccc[n+](c1)[O-] 34a_100000039713_100000187820 [0,0,0,0,0,2|2,0,0]=4 1880 B12R1.226 NC(=O)COc1ccc[n+](c1)[O-] 7a_100000039713_100000187820 [0,0,0,0,0,2|2,0,0]=4 1881 B12R1.226 NC(=O)CSc1ccc[n+](c1)[O-] 62a_100000747473_100009815978 [0,0,0,0,0,2|2,0,0]=4 1882 B12R1.226 Nc1cccc(c1)OCC(=O)[O-] 34a_100000210217_100020667443 [0,0,0,0,0,2|2,0,0]=4 1883 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100000210019_100020667443 [0,0,0,0,0,2|2,0,0]=4 1884 B12R1.226 Nc1cccc(c1)SCC(=O)[O-] 62a_100020667443_100000210019 [0,0,0,0,0,2|2,0,0]=4 1885 B12R1.226 O=C([O-])CNc1cccc(c1)Br 34a_100000210019_100020667443 [0,0,0,0,0,2|2,0,0]=4 1886 B12R1.226 O=C([O-])CNc1cccc(c1)Cl 34a_100000185859_100020667443 [0,0,0,0,0,2|2,0,0]=4 1887 B12R1.226 O=C([O-])CNc1cccc(c1)F 34a_100000210047_100020667443 [0,0,0,0,0,2|2,0,0]=4 1888 B12R1.226 O=C([O-])CNc1cccc(c1)I 34a_100000211102_100020667443 [0,0,0,0,0,2|2,0,0]=4 1889 B12R1.226 O=C([O-])CNc1cccc(c1)O 34a_100000210217_100020667443 [0,0,0,0,0,2|2,0,0]=4 1890 B12R1.226 O=C([O-])COc1ccc[n+](c1)[O-] 34a_100000039713_100020667443 [0,0,0,0,0,2|1,0,0]=3 1891 B12R1.226 O=C([O-])COc1cccc(c1)Br 34a_100000210342_100020667443 [0,0,0,0,0,2|2,0,0]=4 1892 B12R1.226 O=C([O-])COc1cccc(c1)Cl 34a_100000210295_100020667443 [0,0,0,0,0,2|2,0,0]=4 1893 B12R1.226 O=C([O-])COc1cccc(c1)F 34a_100000210426_100020667443 [0,0,0,0,0,2|2,0,0]=4 1894 B12R1.226 O=C([O-])COc1cccc(c1)I 34a_100000211634_100020667443 [0,0,0,0,0,2|2,0,0]=4 1895 B12R1.226 O=C([O-])CSc1c[n+](ccn1)[O-] 62a_100020667443_100009880115 [0,0,0,0,0,2|2,0,0]=4 1896 B12R1.226 O=C([O-])CSc1ccc[n+](c1)[O-] 62a_100020667443_100009815978 [0,0,0,0,0,2|1,0,0]=3 1897 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100000691529_100020667443 [0,0,0,0,0,2|2,0,0]=4 1898 B12R1.226 O=C([O-])CSc1cccc(c1)Br 62a_100020667443_100000691529 [0,0,0,0,0,2|2,0,0]=4 1899 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100000699651_100020667443 [0,0,0,0,0,2|2,0,0]=4 1900 B12R1.226 O=C([O-])CSc1cccc(c1)Cl 62a_100020667443_100000699651 [0,0,0,0,0,2|2,0,0]=4 1901 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100000685547_100020667443 [0,0,0,0,0,2|2,0,0]=4 1902 B12R1.226 O=C([O-])CSc1cccc(c1)F 62a_100020667443_100000685547 [0,0,0,0,0,2|2,0,0]=4 1903 B12R1.226 O=C([O-])CSc1cccc(c1)O 62a_100020667443_100000211634 [0,0,0,0,0,2|2,0,0]=4 1904 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_100020667443_114929384022 [0,0,0,0,0,2|2,0,0]=4 1905 B12R1.226 O=C([O-])CSc1cccc(c1)[S] 62a_114929384022_100020667443 [0,0,0,0,0,2|2,0,0]=4 1906 B12R1.226 O=[N+]([O-])COc1ccc[n+](c1)[O-] 34a_100000039713_100000761209 [0,0,0,0,0,2|2,0,0]=4