0 B11R1.167 C=C(C)c1cc(ccc1Br)C 271570a_100000694244_100012353751 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.167 C=C(C)c1cc(ccc1C)C 271570a_100000694244_100000210833 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.167 C=C(C)c1cc(ccc1Cl)C 271570a_100000694244_100012356289 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.167 C=C(C)c1cc(ccc1F)C 271570a_100000694244_100000736223 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.167 C=C(C)c1cc(ccc1N)C 271570a_100000694244_100000210942 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.167 C=C(C)c1cc(ccc1O)Br 271570a_100000694244_100012355227 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.167 C=C(C)c1cc(ccc1O)C 271570a_100000694244_100000765521 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.167 C=C(C)c1cc(ccc1O)Cl 271570a_100000694244_100011356953 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.167 C=C(C)c1cc(ccc1O)F 271570a_100000694244_100000211999 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.167 C=C(C)c1cc(ccc1O)N 271570a_100000694244_100011534360 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.167 C=C(C)c1cc(ccc1O)O 271570a_100000694244_100009813629 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.167 C=C(C)c1cc(cnc1O)C 271570a_100000694244_100000049931 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.167 C=C(C)c1cc(ncc1O)C 271570a_100000694244_100009843476 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.167 C=C(C)c1nc(ccc1O)C 271570a_100000694244_100000702858 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.167 CC(=O)c1cc(ccc1Br)Br 1458a_100000690610_200000210301 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.167 CC(=O)c1cc(ccc1Br)C 1458a_100000689033_200000210301 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.167 CC(=O)c1cc(ccc1Br)F 1458a_100000212315_200000210301 [0,0,0,0,0,0|4,0,0]=4 18 B11R1.167 CC(=O)c1cc(ccc1Br)I 1458a_100000698340_200000210301 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.167 CC(=O)c1cc(ccc1Br)O 1458a_100012352043_200000210301 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.167 CC(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200000210301 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.167 CC(=O)c1cc(ccc1Cl)C 1458a_100011290873_200000210301 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.167 CC(=O)c1cc(ccc1Cl)F 1458a_100011219680_200000210301 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.167 CC(=O)c1cc(ccc1Cl)I 1458a_100000688013_200000210301 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.167 CC(=O)c1cc(ccc1Cl)O 1458a_100000719527_200000210301 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.167 CC(=O)c1cc(ccc1Cl)O 271570a_203496583355_100010712560 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.167 CC(=O)c1cc(ccc1F)Br 1458a_100000212322_200000210301 [0,0,0,0,0,0|4,0,0]=4 35 B11R1.167 CC(=O)c1cc(ccc1F)C 1458a_100000749327_200000210301 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [0,0,0,0,0,0|4,0,0]=4 37 B11R1.167 CC(=O)c1cc(ccc1F)F 1458a_100000198512_200000210301 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.167 CC(=O)c1cc(ccc1F)I 1458a_100000688014_200000210301 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.167 CC(=O)c1cc(ccc1F)O 1458a_100000037260_200000210301 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.167 CC(=O)c1cc(ccc1F)O 271570a_203496583355_100000689017 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.167 CC(=O)c1cc(ccc1I)Br 1458a_100000183945_200000210301 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.167 CC(=O)c1cc(ccc1I)C 1458a_100000057929_200000210301 [0,0,0,0,0,0|3,0,0]=3 43 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.167 CC(=O)c1cc(ccc1I)F 1458a_100000748905_200000210301 [0,0,0,0,0,0|4,0,0]=4 45 B11R1.167 CC(=O)c1cc(ccc1I)I 1458a_100000750460_200000210301 [0,0,0,0,0,0|4,0,0]=4 46 B11R1.167 CC(=O)c1cc(ccc1I)O 1458a_200009995701_200000210301 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.167 CC(=O)c1cc(ccc1N)O 271570a_203496583355_100000695420 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.167 CC(=O)c1cc(ccc1O)Br 1458a_100000212140_200000210301 [0,0,0,0,0,0|3,0,0]=3 49 B11R1.167 CC(=O)c1cc(ccc1O)Br 271570a_203496583355_100012349576 [0,0,0,0,0,0|3,0,0]=3 50 B11R1.167 CC(=O)c1cc(ccc1O)C 1458a_100000229998_200000210301 [0,0,0,0,0,0|2,0,0]=2 51 B11R1.167 CC(=O)c1cc(ccc1O)C 271570a_203496583355_100012361225 [0,0,0,0,0,0|2,0,0]=2 52 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [0,0,0,0,0,0|3,0,0]=3 53 B11R1.167 CC(=O)c1cc(ccc1O)F 1458a_100000742286_200000210301 [0,0,0,0,0,0|3,0,0]=3 54 B11R1.167 CC(=O)c1cc(ccc1O)F 271570a_203496583355_100012353695 [0,0,0,0,0,0|3,0,0]=3 55 B11R1.167 CC(=O)c1cc(ccc1O)I 1458a_100000212111_200000210301 [0,0,0,0,0,0|3,0,0]=3 56 B11R1.167 CC(=O)c1cc(ccc1O)N 271570a_203496583355_100012349454 [0,0,0,0,0,0|3,0,0]=3 57 B11R1.167 CC(=O)c1cc(ccc1O)O 1458a_100000758025_200000210301 [0,0,0,0,0,0|3,0,0]=3 58 B11R1.167 CC(=O)c1cc(ccc1O)O 271570a_203496583355_100000212127 [0,0,0,0,0,0|3,0,0]=3 59 B11R1.167 CC(=O)c1cc(cnc1O)F 271570a_203496583355_100000118324 [0,0,0,0,0,0|4,0,0]=4 60 B11R1.167 CC(C)c1cc(ccc1O)Br 271570a_203496583355_100010244561 [0,0,0,0,0,0|4,0,0]=4 61 B11R1.167 CC(C)c1cc(ccc1O)O 271570a_203496583355_100000691460 [0,0,0,0,0,0|4,0,0]=4 62 B11R1.167 CC(N)c1cc(ccc1O)F 271570a_203496583355_100012343209 [0,0,0,0,0,0|4,0,0]=4 63 B11R1.167 CN(C)c1cc(ccc1O)O 271570a_203496583355_200010083878 [0,0,0,0,0,0|3,0,1]=4 64 B11R1.167 C[C@H](O)c1cc(ccc1O)F 271570a_203496583355_100134768474 [0,0,0,0,0,0|3,0,1]=4 65 B11R1.167 Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_200010883979 [0,0,0,0,0,0|1,0,2]=3 66 B11R1.167 Cc1ccc(c(c1)C(=O)N)O 271570a_203496583355_200012349609 [0,0,0,0,0,0|2,0,0]=2 67 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000689033_200025704644 [0,0,0,0,0,0|3,0,0]=3 68 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [0,0,0,0,0,0|3,0,0]=3 69 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100011290873_200025704644 [0,0,0,0,0,0|3,0,0]=3 70 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])F 1458a_100000749327_200025704644 [0,0,0,0,0,0|3,0,0]=3 71 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])I 1458a_100000057929_200025704644 [0,0,0,0,0,0|3,0,0]=3 72 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000229998_200025704644 [0,0,0,0,0,0|2,0,0]=2 73 B11R1.167 Cc1ccc(cc1C(=O)N)O 271570a_203496583355_100012257281 [0,0,0,0,0,0|4,0,0]=4 74 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [0,0,0,0,0,0|4,0,0]=4 75 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [0,0,0,0,0,0|4,0,0]=4 76 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [0,0,0,0,0,0|4,0,0]=4 77 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [0,0,0,0,0,0|4,0,0]=4 78 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [0,0,0,0,0,0|4,0,0]=4 79 B11R1.167 Cc1cnc(c(c1)B(O)O)O 271570a_203496583355_200000049436 [0,0,0,0,0,0|2,0,2]=4 80 B11R1.167 NC(=O)c1cc(ccc1F)O 271570a_203496583355_100000162119 [0,0,0,0,0,0|4,0,0]=4 81 B11R1.167 NC(=O)c1cc(ccc1N)O 271570a_203496583355_100000740421 [0,0,0,0,0,0|4,0,0]=4 82 B11R1.167 NC(=O)c1cc(ccc1O)Br 271570a_203496583355_200000162314 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.167 NC(=O)c1cc(ccc1O)F 271570a_203496583355_100000206434 [0,0,0,0,0,0|3,0,0]=3 84 B11R1.167 NC(=O)c1cc(ccc1O)N 271570a_203496583355_100015186447 [0,0,0,0,0,0|3,0,0]=3 85 B11R1.167 NC(=O)c1cc(ccc1O)O 271570a_203496583355_100000192807 [0,0,0,0,0,0|3,0,0]=3 86 B11R1.167 NC(=O)c1cc(cnc1O)F 271570a_203496583355_100012183597 [0,0,0,0,0,0|4,0,0]=4 87 B11R1.167 OB(O)c1cc(ccc1O)F 271570a_203496583355_200009816908 [0,0,0,0,0,0|2,0,2]=4 88 B11R1.167 OB(O)c1cc(ccc1O)O 271570a_203496583355_200009814749 [0,0,0,0,0,0|2,0,2]=4 89 B11R1.167 Oc1ccc(cc1C(F)F)F 271570a_203496583355_100010189890 [0,0,0,0,0,0|4,0,0]=4 90 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Br 1458a_100000690610_200025704644 [0,0,0,0,0,0|4,0,0]=4 91 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [0,0,0,0,0,0|4,0,0]=4 92 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)F 1458a_100000212315_200025704644 [0,0,0,0,0,0|4,0,0]=4 93 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)I 1458a_100000698340_200025704644 [0,0,0,0,0,0|4,0,0]=4 94 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)O 1458a_100012352043_200025704644 [0,0,0,0,0,0|4,0,0]=4 95 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Br 1458a_100000211212_200025704644 [0,0,0,0,0,0|4,0,0]=4 96 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [0,0,0,0,0,0|4,0,0]=4 97 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)F 1458a_100011219680_200025704644 [0,0,0,0,0,0|4,0,0]=4 98 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)I 1458a_100000688013_200025704644 [0,0,0,0,0,0|4,0,0]=4 99 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)O 1458a_100000719527_200025704644 [0,0,0,0,0,0|4,0,0]=4 100 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Br 1458a_100000212322_200025704644 [0,0,0,0,0,0|4,0,0]=4 101 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [0,0,0,0,0,0|4,0,0]=4 102 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)F 1458a_100000198512_200025704644 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)I 1458a_100000688014_200025704644 [0,0,0,0,0,0|4,0,0]=4 104 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)O 1458a_100000037260_200025704644 [0,0,0,0,0,0|4,0,0]=4 105 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Br 1458a_100000183945_200025704644 [0,0,0,0,0,0|4,0,0]=4 106 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [0,0,0,0,0,0|4,0,0]=4 107 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)F 1458a_100000748905_200025704644 [0,0,0,0,0,0|4,0,0]=4 108 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)I 1458a_100000750460_200025704644 [0,0,0,0,0,0|4,0,0]=4 109 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)O 1458a_200009995701_200025704644 [0,0,0,0,0,0|4,0,0]=4 110 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Br 1458a_100000212140_200025704644 [0,0,0,0,0,0|3,0,0]=3 111 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [0,0,0,0,0,0|3,0,0]=3 112 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)F 1458a_100000742286_200025704644 [0,0,0,0,0,0|3,0,0]=3 113 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)I 1458a_100000212111_200025704644 [0,0,0,0,0,0|3,0,0]=3 114 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)O 1458a_100000758025_200025704644 [0,0,0,0,0,0|3,0,0]=3 115 B10R1.30 C=Cc1cc(ccc1Br)C 271570a_100011290941_100012353751 [1,0,0,0,0,0|3,0,0]=4 116 B10R1.30 C=Cc1cc(ccc1C)C 271570a_100011290941_100000210833 [1,0,0,0,0,0|3,0,0]=4 117 B10R1.30 C=Cc1cc(ccc1Cl)C 271570a_100011290941_100012356289 [1,0,0,0,0,0|3,0,0]=4 118 B10R1.30 C=Cc1cc(ccc1F)C 271570a_100011290941_100000736223 [1,0,0,0,0,0|3,0,0]=4 119 B10R1.30 C=Cc1cc(ccc1N)C 271570a_100011290941_100000210942 [1,0,0,0,0,0|3,0,0]=4 120 B10R1.30 C=Cc1cc(ccc1O)Br 271570a_100011290941_100012355227 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.30 C=Cc1cc(ccc1O)C 271570a_100011290941_100000765521 [1,0,0,0,0,0|2,0,0]=3 122 B10R1.30 C=Cc1cc(ccc1O)Cl 271570a_100011290941_100011356953 [1,0,0,0,0,0|3,0,0]=4 123 B10R1.30 C=Cc1cc(ccc1O)F 271570a_100011290941_100000211999 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.30 C=Cc1cc(ccc1O)N 271570a_100011290941_100011534360 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.30 C=Cc1cc(ccc1O)O 271570a_100011290941_100009813629 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.30 C=Cc1cc(cnc1O)C 271570a_100011290941_100000049931 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.30 C=Cc1cc(ncc1O)C 271570a_100011290941_100009843476 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.30 C=Cc1nc(ccc1O)C 271570a_100011290941_100000702858 [1,0,0,0,0,0|3,0,0]=4 129 B10R1.30 CCc1cc(ccc1O)Br 271570a_203496583355_100011216195 [1,0,0,0,0,0|3,0,0]=4 130 B10R1.30 CCc1cc(ccc1O)N 271570a_203496583355_100010109747 [1,0,0,0,0,0|3,0,0]=4 131 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.30 CNc1cc(ccc1Br)C 34a_100000745044_200000210301 [1,0,0,0,0,0|2,0,1]=4 133 B10R1.30 CNc1cc(ccc1C)C 2230a_100000185781_200000210301 [1,0,0,0,0,0|2,0,1]=4 134 B10R1.30 CNc1cc(ccc1C)C 34a_100000185781_200000210301 [1,0,0,0,0,0|2,0,1]=4 135 B10R1.30 CNc1cc(ccc1C)C 7a_100000185781_200000210301 [1,0,0,0,0,0|2,0,1]=4 136 B10R1.30 CNc1cc(ccc1Cl)C 34a_100011215360_200000210301 [1,0,0,0,0,0|2,0,1]=4 137 B10R1.30 CNc1cc(ccc1F)C 34a_100000211285_200000210301 [1,0,0,0,0,0|2,0,1]=4 138 B10R1.30 CNc1cc(ccc1I)C 34a_100011216686_200000210301 [1,0,0,0,0,0|2,0,1]=4 139 B10R1.30 CNc1cc(ccc1O)Br 34a_100000752626_200000210301 [1,0,0,0,0,0|2,0,1]=4 140 B10R1.30 CNc1cc(ccc1O)C 34a_100011215204_200000210301 [1,0,0,0,0,0|1,0,1]=3 141 B10R1.30 CNc1cc(ccc1O)Cl 34a_100000210500_200000210301 [1,0,0,0,0,0|2,0,1]=4 142 B10R1.30 CNc1cc(ccc1O)F 271570a_203496583355_100020633008 [1,0,0,0,0,0|2,0,1]=4 143 B10R1.30 CNc1cc(ccc1O)F 34a_100000759472_200000210301 [1,0,0,0,0,0|2,0,1]=4 144 B10R1.30 COc1cc(ccc1Br)C 34a_100012002257_200000210301 [1,0,0,0,0,0|3,0,0]=4 145 B10R1.30 COc1cc(ccc1Br)C 7a_100012002257_200000210301 [1,0,0,0,0,0|3,0,0]=4 146 B10R1.30 COc1cc(ccc1C)C 34a_100000210931_200000210301 [1,0,0,0,0,0|3,0,0]=4 147 B10R1.30 COc1cc(ccc1C)C 7a_100000210931_200000210301 [1,0,0,0,0,0|3,0,0]=4 148 B10R1.30 COc1cc(ccc1Cl)C 34a_100000211493_200000210301 [1,0,0,0,0,0|3,0,0]=4 149 B10R1.30 COc1cc(ccc1Cl)C 7a_100000211493_200000210301 [1,0,0,0,0,0|3,0,0]=4 150 B10R1.30 COc1cc(ccc1F)C 34a_100000759540_200000210301 [1,0,0,0,0,0|3,0,0]=4 151 B10R1.30 COc1cc(ccc1F)C 7a_100000759540_200000210301 [1,0,0,0,0,0|3,0,0]=4 152 B10R1.30 COc1cc(ccc1N)C 34a_100000211527_200000210301 [1,0,0,0,0,0|3,0,0]=4 153 B10R1.30 COc1cc(ccc1N)C 7a_100000211527_200000210301 [1,0,0,0,0,0|3,0,0]=4 154 B10R1.30 COc1cc(ccc1O)Br 271570a_203496583355_100010245111 [1,0,0,0,0,0|3,0,0]=4 155 B10R1.30 COc1cc(ccc1O)C 271570a_203496583355_100010200004 [1,0,0,0,0,0|2,0,0]=3 156 B10R1.30 COc1cc(ccc1O)Cl 271570a_203496583355_100000050115 [1,0,0,0,0,0|3,0,0]=4 157 B10R1.30 COc1cc(ccc1O)F 271570a_203496583355_100000757151 [1,0,0,0,0,0|3,0,0]=4 158 B10R1.30 COc1cc(ccc1O)N 271570a_203496583355_100000765947 [1,0,0,0,0,0|3,0,0]=4 159 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [1,0,0,0,0,0|3,0,0]=4 161 B10R1.30 COc1cc(cnc1O)C 271570a_203496583355_200000118316 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.30 COc1cc(ncc1O)C 271570a_203496583355_100000717771 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.30 COc1nc(ccc1O)C 271570a_203496583355_100010138632 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.30 CSc1cc(ccc1Br)C 62a_100012353751_200000210301 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.30 CSc1cc(ccc1Br)C 62a_200000210301_100012353751 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.30 CSc1cc(ccc1C)C 62a_100000210833_200000210301 [1,0,0,0,0,0|3,0,0]=4 167 B10R1.30 CSc1cc(ccc1C)C 62a_200000210301_100000210833 [1,0,0,0,0,0|3,0,0]=4 168 B10R1.30 CSc1cc(ccc1Cl)C 62a_100012356289_200000210301 [1,0,0,0,0,0|3,0,0]=4 169 B10R1.30 CSc1cc(ccc1Cl)C 62a_200000210301_100012356289 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.30 CSc1cc(ccc1F)C 62a_100000736223_200000210301 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.30 CSc1cc(ccc1F)C 62a_200000210301_100000736223 [1,0,0,0,0,0|3,0,0]=4 172 B10R1.30 CSc1cc(ccc1N)C 62a_100011356834_200000210301 [1,0,0,0,0,0|3,0,0]=4 173 B10R1.30 CSc1cc(ccc1N)C 62a_200000210301_100011356834 [1,0,0,0,0,0|3,0,0]=4 174 B10R1.30 CSc1cc(ccc1O)Br 62a_100012355227_200000210301 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.30 CSc1cc(ccc1O)Br 62a_200000210301_100012355227 [1,0,0,0,0,0|3,0,0]=4 176 B10R1.30 CSc1cc(ccc1O)C 271570a_203496583355_200010709736 [1,0,0,0,0,0|2,0,0]=3 177 B10R1.30 CSc1cc(ccc1O)C 62a_100000765521_200000210301 [1,0,0,0,0,0|2,0,0]=3 178 B10R1.30 CSc1cc(ccc1O)C 62a_200000210301_100000765521 [1,0,0,0,0,0|2,0,0]=3 179 B10R1.30 CSc1cc(ccc1O)Cl 62a_100011356953_200000210301 [1,0,0,0,0,0|3,0,0]=4 180 B10R1.30 CSc1cc(ccc1O)Cl 62a_200000210301_100011356953 [1,0,0,0,0,0|3,0,0]=4 181 B10R1.30 CSc1cc(ccc1O)F 62a_100000211999_200000210301 [1,0,0,0,0,0|3,0,0]=4 182 B10R1.30 CSc1cc(ccc1O)F 62a_200000210301_100000211999 [1,0,0,0,0,0|3,0,0]=4 183 B10R1.30 CSc1cc(ccc1O)N 62a_100011534360_200000210301 [1,0,0,0,0,0|3,0,0]=4 184 B10R1.30 CSc1cc(ccc1O)N 62a_200000210301_100011534360 [1,0,0,0,0,0|3,0,0]=4 185 B10R1.30 CSc1cc(ccc1O)O 62a_200000210301_100009813629 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.30 CSc1cc(cnc1O)C 271570a_203496583355_100010884634 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.30 CSc1cc(cnc1O)C 62a_100000719714_200000210301 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.30 CSc1cc(cnc1O)C 62a_200000210301_100000719714 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.30 CSc1cc(ncc1O)C 62a_100009843476_200000210301 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.30 CSc1cc(ncc1O)C 62a_200000210301_100009843476 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.30 CSc1nc(ccc1O)C 62a_100000702858_200000210301 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.30 CSc1nc(ccc1O)C 62a_200000210301_100000702858 [1,0,0,0,0,0|3,0,0]=4 193 B10R1.30 Cc1cc(c(cn1)O)CO 271570a_203496583355_100015579599 [1,0,0,0,0,0|2,0,1]=4 194 B10R1.30 Cc1cc(c(cn1)O)S[13CH3] 62a_100009843476_200025704644 [1,0,0,0,0,0|3,0,0]=4 195 B10R1.30 Cc1cc(c(cn1)O)S[13CH3] 62a_200025704644_100009843476 [1,0,0,0,0,0|3,0,0]=4 196 B10R1.30 Cc1ccc(c(c1)C#N)O 271570a_203496583355_100011935190 [1,0,0,0,0,0|2,0,0]=3 197 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [1,0,0,0,0,0|1,0,0]=2 198 B10R1.30 Cc1ccc(c(c1)CO)O 271570a_203496583355_100012361352 [1,0,0,0,0,0|1,0,1]=3 199 B10R1.30 Cc1ccc(c(c1)N[13CH3])Br 34a_100000745044_200025704644 [1,0,0,0,0,0|2,0,1]=4 200 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 2230a_100000185781_200025704644 [1,0,0,0,0,0|2,0,1]=4 201 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 34a_100000185781_200025704644 [1,0,0,0,0,0|2,0,1]=4 202 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 7a_100000185781_200025704644 [1,0,0,0,0,0|2,0,1]=4 203 B10R1.30 Cc1ccc(c(c1)N[13CH3])Cl 34a_100011215360_200025704644 [1,0,0,0,0,0|2,0,1]=4 204 B10R1.30 Cc1ccc(c(c1)N[13CH3])F 34a_100000211285_200025704644 [1,0,0,0,0,0|2,0,1]=4 205 B10R1.30 Cc1ccc(c(c1)N[13CH3])I 34a_100011216686_200025704644 [1,0,0,0,0,0|2,0,1]=4 206 B10R1.30 Cc1ccc(c(c1)N[13CH3])O 34a_100011215204_200025704644 [1,0,0,0,0,0|1,0,1]=3 207 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 34a_100012002257_200025704644 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 7a_100012002257_200025704644 [1,0,0,0,0,0|3,0,0]=4 209 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 34a_100000210931_200025704644 [1,0,0,0,0,0|3,0,0]=4 210 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 7a_100000210931_200025704644 [1,0,0,0,0,0|3,0,0]=4 211 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 34a_100000211493_200025704644 [1,0,0,0,0,0|3,0,0]=4 212 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 7a_100000211493_200025704644 [1,0,0,0,0,0|3,0,0]=4 213 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 34a_100000759540_200025704644 [1,0,0,0,0,0|3,0,0]=4 214 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 7a_100000759540_200025704644 [1,0,0,0,0,0|3,0,0]=4 215 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 34a_100000211527_200025704644 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 7a_100000211527_200025704644 [1,0,0,0,0,0|3,0,0]=4 217 B10R1.30 Cc1ccc(c(c1)S[13CH3])Br 62a_100012353751_200025704644 [1,0,0,0,0,0|3,0,0]=4 218 B10R1.30 Cc1ccc(c(c1)S[13CH3])Br 62a_200025704644_100012353751 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_100000210833_200025704644 [1,0,0,0,0,0|3,0,0]=4 220 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_200025704644_100000210833 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.30 Cc1ccc(c(c1)S[13CH3])Cl 62a_100012356289_200025704644 [1,0,0,0,0,0|3,0,0]=4 222 B10R1.30 Cc1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100012356289 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.30 Cc1ccc(c(c1)S[13CH3])F 62a_100000736223_200025704644 [1,0,0,0,0,0|3,0,0]=4 224 B10R1.30 Cc1ccc(c(c1)S[13CH3])F 62a_200025704644_100000736223 [1,0,0,0,0,0|3,0,0]=4 225 B10R1.30 Cc1ccc(c(c1)S[13CH3])N 62a_100011356834_200025704644 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.30 Cc1ccc(c(c1)S[13CH3])N 62a_200025704644_100011356834 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_100000765521_200025704644 [1,0,0,0,0,0|2,0,0]=3 228 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000765521 [1,0,0,0,0,0|2,0,0]=3 229 B10R1.30 Cc1ccc(c(n1)C#N)O 271570a_203496583355_100009878477 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.30 Cc1ccc(c(n1)C=O)O 271570a_203496583355_100010173661 [1,0,0,0,0,0|2,0,0]=3 231 B10R1.30 Cc1ccc(c(n1)CO)O 271570a_203496583355_100010074375 [1,0,0,0,0,0|2,0,1]=4 232 B10R1.30 Cc1ccc(c(n1)S[13CH3])O 62a_100000702858_200025704644 [1,0,0,0,0,0|3,0,0]=4 233 B10R1.30 Cc1ccc(c(n1)S[13CH3])O 62a_200025704644_100000702858 [1,0,0,0,0,0|3,0,0]=4 234 B10R1.30 Cc1ccc(cc1C=O)O 271570a_203496583355_100011361606 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.30 Cc1cnc(c(c1)C#N)O 271570a_203496583355_100012662280 [1,0,0,0,0,0|3,0,0]=4 236 B10R1.30 Cc1cnc(c(c1)C=O)O 271570a_203496583355_100000050350 [1,0,0,0,0,0|2,0,0]=3 237 B10R1.30 Cc1cnc(c(c1)CO)O 271570a_203496583355_100000118064 [1,0,0,0,0,0|2,0,1]=4 238 B10R1.30 Cc1cnc(c(c1)S[13CH3])O 62a_100000719714_200025704644 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.30 Cc1cnc(c(c1)S[13CH3])O 62a_200025704644_100000719714 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.30 N#Cc1cc(ccc1O)Br 271570a_203496583355_100011219714 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.30 N#Cc1cc(ccc1O)Cl 271570a_203496583355_200011356825 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.30 N#Cc1cc(ccc1O)F 271570a_203496583355_100000747550 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.30 N#Cc1cc(ccc1O)N 271570a_203496583355_100011934039 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100000687585 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100009818209 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.30 NCc1cc(ccc1O)F 271570a_203496583355_100000742738 [1,0,0,0,0,0|3,0,0]=4 247 B10R1.30 NCc1cc(ccc1O)O 271570a_203496583355_100000730032 [1,0,0,0,0,0|3,0,0]=4 248 B10R1.30 NNc1cc(ccc1O)F 271570a_203496583355_100012362518 [1,0,0,0,0,0|2,0,1]=4 249 B10R1.30 Nc1ccc(c(c1)CO)O 271570a_203496583355_100012347228 [1,0,0,0,0,0|2,0,1]=4 250 B10R1.30 Nc1ccc(cc1C=O)O 271570a_203496583355_100011935258 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.30 O=Cc1cc(ccc1Br)O 271570a_203496583355_100010185652 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.30 O=Cc1cc(ccc1Cl)O 271570a_203496583355_100010254384 [1,0,0,0,0,0|3,0,0]=4 253 B10R1.30 O=Cc1cc(ccc1F)O 271570a_203496583355_100000211465 [1,0,0,0,0,0|3,0,0]=4 254 B10R1.30 O=Cc1cc(ccc1O)Br 271570a_203496583355_100010185651 [1,0,0,0,0,0|2,0,0]=3 255 B10R1.30 O=Cc1cc(ccc1O)Cl 271570a_203496583355_100010254386 [1,0,0,0,0,0|2,0,0]=3 256 B10R1.30 O=Cc1cc(ccc1O)F 271570a_203496583355_100011218309 [1,0,0,0,0,0|2,0,0]=3 257 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000186750 [1,0,0,0,0,0|2,0,0]=3 258 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000690577 [1,0,0,0,0,0|2,0,0]=3 259 B10R1.30 O=Cc1cc(cnc1O)F 271570a_203496583355_100000079965 [1,0,0,0,0,0|3,0,0]=4 260 B10R1.30 OCc1cc(ccc1O)Br 271570a_203496583355_100011356890 [1,0,0,0,0,0|2,0,1]=4 261 B10R1.30 OCc1cc(ccc1O)F 271570a_203496583355_100011217561 [1,0,0,0,0,0|2,0,1]=4 262 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100000184703 [1,0,0,0,0,0|2,0,1]=4 263 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100012351483 [1,0,0,0,0,0|2,0,1]=4 264 B10R1.30 [13CH3]Nc1cc(ccc1O)Br 34a_100000752626_200025704644 [1,0,0,0,0,0|2,0,1]=4 265 B10R1.30 [13CH3]Nc1cc(ccc1O)Cl 34a_100000210500_200025704644 [1,0,0,0,0,0|2,0,1]=4 266 B10R1.30 [13CH3]Nc1cc(ccc1O)F 34a_100000759472_200025704644 [1,0,0,0,0,0|2,0,1]=4 267 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_100012355227_200025704644 [1,0,0,0,0,0|3,0,0]=4 268 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_200025704644_100012355227 [1,0,0,0,0,0|3,0,0]=4 269 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_100011356953_200025704644 [1,0,0,0,0,0|3,0,0]=4 270 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_200025704644_100011356953 [1,0,0,0,0,0|3,0,0]=4 271 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_100000211999_200025704644 [1,0,0,0,0,0|3,0,0]=4 272 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_200025704644_100000211999 [1,0,0,0,0,0|3,0,0]=4 273 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_100011534360_200025704644 [1,0,0,0,0,0|3,0,0]=4 274 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_200025704644_100011534360 [1,0,0,0,0,0|3,0,0]=4 275 B10R1.30 [13CH3]Sc1cc(ccc1O)O 62a_200025704644_100009813629 [1,0,0,0,0,0|3,0,0]=4 276 B10R1.61 C=C(C)c1ccccc1O 271570a_100000694244_100000739446 [1,0,0,0,0,0|3,0,0]=4 277 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [1,0,0,0,0,0|3,0,0]=4 278 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [1,0,0,0,0,0|3,0,0]=4 279 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [1,0,0,0,0,0|3,0,0]=4 280 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [1,0,0,0,0,0|3,0,0]=4 281 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [1,0,0,0,0,0|3,0,0]=4 282 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [1,0,0,0,0,0|2,0,0]=3 283 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [1,0,0,0,0,0|2,0,0]=3 284 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [1,0,0,0,0,0|2,0,1]=4 285 B10R1.61 CC(=O)c1cccnc1O 271570a_203496583355_100000753718 [1,0,0,0,0,0|3,0,0]=4 286 B10R1.61 CC(=O)c1ccncc1O 271570a_203496583355_100009993184 [1,0,0,0,0,0|3,0,0]=4 287 B10R1.61 CC(=O)c1cnccc1O 271570a_203496583355_100160469449 [1,0,0,0,0,0|3,0,0]=4 288 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [1,0,0,0,0,0|3,0,0]=4 289 B10R1.61 CC(C)c1ccccc1O 271570a_203496583355_100011218076 [1,0,0,0,0,0|3,0,0]=4 290 B10R1.61 CC(N)c1ccccc1O 271570a_203496583355_100000181357 [1,0,0,0,0,0|3,0,0]=4 291 B10R1.61 CC(O)c1ccccc1O 271570a_203496583355_100000702211 [1,0,0,0,0,0|2,0,1]=4 292 B10R1.61 CN(C)c1ccccc1O 269982a_100000033821_200000210301 [1,0,0,0,0,0|2,0,1]=4 293 B10R1.61 CN(C)c1ccccc1O 271570a_203496583355_100011290883 [1,0,0,0,0,0|2,0,1]=4 294 B10R1.61 CN([13CH3])c1ccccc1O 269982a_100000033821_200025704644 [1,0,0,0,0,0|2,0,1]=4 295 B10R1.61 CS(=O)c1ccccc1O 271570a_203496583355_100000734199 [1,0,0,0,0,0|2,0,0]=3 296 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [1,0,0,0,0,0|3,0,0]=4 297 B10R1.61 NC(=O)c1ccccc1O 271570a_203496583355_100000162227 [1,0,0,0,0,0|2,0,0]=3 298 B10R1.61 NC(=O)c1cccnc1O 271570a_203496583355_100000162199 [1,0,0,0,0,0|3,0,0]=4 299 B10R1.61 NC(=O)c1ccncc1O 271570a_203496583355_100010205435 [1,0,0,0,0,0|3,0,0]=4 300 B10R1.61 NC(=O)c1cnccc1O 271570a_203496583355_100000697804 [1,0,0,0,0,0|3,0,0]=4 301 B10R1.61 NC(=O)c1ncccc1O 271570a_203496583355_200012359670 [1,0,0,0,0,0|3,0,0]=4 302 B10R1.61 OB(O)c1ccccc1O 271570a_203496583355_100000693059 [1,0,0,0,0,0|1,0,2]=4 303 B10R1.61 Oc1ccccc1C(F)F 271570a_203496583355_100010169824 [1,0,0,0,0,0|3,0,0]=4 304 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [1,0,0,0,0,0|3,0,0]=4 305 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [1,0,0,0,0,0|3,0,0]=4 306 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [1,0,0,0,0,0|3,0,0]=4 307 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [1,0,0,0,0,0|3,0,0]=4 308 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [1,0,0,0,0,0|2,0,0]=3 309 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [1,0,0,0,0,0|2,0,1]=4 310 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [1,0,0,0,0,0|3,0,0]=4 311 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [1,0,0,0,0,0|3,0,0]=4 312 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [1,0,0,0,0,0|2,0,0]=3 313 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [1,0,0,0,0,0|3,0,0]=4 314 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [1,0,0,0,0,0|3,0,0]=4 315 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [1,0,0,0,0,0|3,0,0]=4 316 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [1,0,0,0,0,0|3,0,0]=4 317 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [1,0,0,0,0,0|3,0,0]=4 318 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [1,0,0,0,0,0|3,0,0]=4 319 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [1,0,0,0,0,0|2,0,0]=3 320 B10R1.113 Cc1cccc(c1)N(C)C 2230a_100000219674_200000210301 [1,0,0,0,0,0|2,0,1]=4 321 B10R1.113 Cc1cccc(c1)N(C)C 269982a_100000219674_200000210301 [1,0,0,0,0,0|2,0,1]=4 322 B10R1.113 Cc1cccc(c1)N(C)C 34a_100000219674_200000210301 [1,0,0,0,0,0|2,0,1]=4 323 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 2230a_100000219674_200025704644 [1,0,0,0,0,0|2,0,1]=4 324 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 269982a_100000219674_200025704644 [1,0,0,0,0,0|2,0,1]=4 325 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 34a_100000219674_200025704644 [1,0,0,0,0,0|2,0,1]=4 326 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [1,0,0,0,0,0|3,0,0]=4 327 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [1,0,0,0,0,0|3,0,0]=4 328 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [1,0,0,0,0,0|3,0,0]=4 329 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [1,0,0,0,0,0|3,0,0]=4 330 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [1,0,0,0,0,0|3,0,0]=4 331 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [1,0,0,0,0,0|3,0,0]=4 332 B12R1.46 C=C(C)c1cc(ccc1OC)C 271570a_100000694244_100000186399 [0,1,0,0,0,0|3,0,0]=4 333 B12R1.46 C=Cc1ccc(cc1C(=O)C)C 271570a_100011290941_100012361225 [0,1,0,0,0,0|3,0,0]=4 334 B12R1.46 C=Cc1ccc(cc1C(=O)N)C 271570a_100011290941_200012349609 [0,1,0,0,0,0|3,0,0]=4 335 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 34a_100000212127_200025704644 [0,1,0,0,0,0|3,0,0]=4 336 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Br 7a_100000212127_200025704644 [0,1,0,0,0,0|3,0,0]=4 337 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 34a_100000195442_200025704644 [0,1,0,0,0,0|2,0,0]=3 338 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])C 7a_100000195442_200025704644 [0,1,0,0,0,0|2,0,0]=3 339 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 34a_100000185566_200025704644 [0,1,0,0,0,0|3,0,0]=4 340 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])Cl 7a_100000185566_200025704644 [0,1,0,0,0,0|3,0,0]=4 341 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])F 7a_100000182812_200025704644 [0,1,0,0,0,0|3,0,0]=4 342 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])I 7a_100010712555_200025704644 [0,1,0,0,0,0|3,0,0]=4 343 B12R1.46 CC(=O)c1cc(ccc1O[13CH3])N 34a_100011218865_200025704644 [0,1,0,0,0,0|3,0,0]=4 344 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_100012361225_200025704644 [0,1,0,0,0,0|2,1,0]=4 345 B12R1.46 CC(=O)c1cc(ccc1S[13CH3])C 62a_200025704644_100012361225 [0,1,0,0,0,0|2,1,0]=4 346 B12R1.46 CNc1ccc(cc1C(=O)N)C 34a_100011692829_200000210301 [0,1,0,0,0,0|3,0,0]=4 347 B12R1.46 CNc1ccc(cc1[N+](=O)[O-])F 34a_100000187532_200000210301 [0,1,0,0,0,0|2,0,0]=3 348 B12R1.46 COc1cc[n+](cc1[N+](=O)[O-])[O-] 7a_100000047301_200000210301 [0,1,0,0,0,0|2,0,0]=3 349 B12R1.46 COc1ccc(cc1C(=O)C)Br 1458a_100000188853_200000210301 [0,1,0,0,0,0|3,0,0]=4 350 B12R1.46 COc1ccc(cc1C(=O)C)Br 34a_100000212127_200000210301 [0,1,0,0,0,0|3,0,0]=4 351 B12R1.46 COc1ccc(cc1C(=O)C)Br 7a_100000212127_200000210301 [0,1,0,0,0,0|3,0,0]=4 352 B12R1.46 COc1ccc(cc1C(=O)C)C 1458a_100000204667_200000210301 [0,1,0,0,0,0|2,0,0]=3 353 B12R1.46 COc1ccc(cc1C(=O)C)C 34a_100000195442_200000210301 [0,1,0,0,0,0|2,0,0]=3 354 B12R1.46 COc1ccc(cc1C(=O)C)C 7a_100000195442_200000210301 [0,1,0,0,0,0|2,0,0]=3 355 B12R1.46 COc1ccc(cc1C(=O)C)Cl 1458a_100000211409_200000210301 [0,1,0,0,0,0|3,0,0]=4 356 B12R1.46 COc1ccc(cc1C(=O)C)Cl 34a_100000185566_200000210301 [0,1,0,0,0,0|3,0,0]=4 357 B12R1.46 COc1ccc(cc1C(=O)C)Cl 7a_100000185566_200000210301 [0,1,0,0,0,0|3,0,0]=4 358 B12R1.46 COc1ccc(cc1C(=O)C)F 1458a_100000735445_200000210301 [0,1,0,0,0,0|3,0,0]=4 359 B12R1.46 COc1ccc(cc1C(=O)C)F 7a_100000182812_200000210301 [0,1,0,0,0,0|3,0,0]=4 360 B12R1.46 COc1ccc(cc1C(=O)C)I 1458a_100000230898_200000210301 [0,1,0,0,0,0|3,0,0]=4 361 B12R1.46 COc1ccc(cc1C(=O)C)I 7a_100010712555_200000210301 [0,1,0,0,0,0|3,0,0]=4 362 B12R1.46 COc1ccc(cc1C(=O)C)N 34a_100011218865_200000210301 [0,1,0,0,0,0|3,0,0]=4 363 B12R1.46 COc1ccc(cc1C(=O)C)O 1458a_200000100057_200000210301 [0,1,0,0,0,0|3,0,0]=4 364 B12R1.46 COc1ccc(cc1C(=O)C)O 271570a_203496583355_100000173343 [0,1,0,0,0,0|3,0,0]=4 365 B12R1.46 COc1ccc(cc1C(=O)N)Br 34a_100000192807_200000210301 [0,1,0,0,0,0|3,0,0]=4 366 B12R1.46 COc1ccc(cc1C(=O)N)Br 7a_100000192807_200000210301 [0,1,0,0,0,0|3,0,0]=4 367 B12R1.46 COc1ccc(cc1C(=O)N)C 34a_200000192840_200000210301 [0,1,0,0,0,0|2,0,0]=3 368 B12R1.46 COc1ccc(cc1C(=O)N)C 7a_200000192840_200000210301 [0,1,0,0,0,0|2,0,0]=3 369 B12R1.46 COc1ccc(cc1C(=O)N)Cl 34a_100000185026_200000210301 [0,1,0,0,0,0|3,0,0]=4 370 B12R1.46 COc1ccc(cc1C(=O)N)Cl 7a_100000185026_200000210301 [0,1,0,0,0,0|3,0,0]=4 371 B12R1.46 COc1ccc(cc1C(=O)N)F 34a_100012186459_200000210301 [0,1,0,0,0,0|3,0,0]=4 372 B12R1.46 COc1ccc(cc1C(=O)N)F 7a_100012186459_200000210301 [0,1,0,0,0,0|3,0,0]=4 373 B12R1.46 COc1ccc(cc1C(=O)N)I 34a_100000192813_200000210301 [0,1,0,0,0,0|3,0,0]=4 374 B12R1.46 COc1ccc(cc1C(=O)N)I 7a_100000192813_200000210301 [0,1,0,0,0,0|3,0,0]=4 375 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Br 1458a_100000188853_200025704644 [0,1,0,0,0,0|3,0,0]=4 376 B12R1.46 COc1ccc(cc1C(=O)[13CH3])C 1458a_100000204667_200025704644 [0,1,0,0,0,0|2,0,0]=3 377 B12R1.46 COc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000211409_200025704644 [0,1,0,0,0,0|3,0,0]=4 378 B12R1.46 COc1ccc(cc1C(=O)[13CH3])F 1458a_100000735445_200025704644 [0,1,0,0,0,0|3,0,0]=4 379 B12R1.46 COc1ccc(cc1C(=O)[13CH3])I 1458a_100000230898_200025704644 [0,1,0,0,0,0|3,0,0]=4 380 B12R1.46 COc1ccc(cc1C(=O)[13CH3])O 1458a_200000100057_200025704644 [0,1,0,0,0,0|3,0,0]=4 381 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Br 34a_100000757407_200000210301 [0,1,0,0,0,0|1,0,0]=2 382 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Br 7a_100000757407_200000210301 [0,1,0,0,0,0|1,0,0]=2 383 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C 34a_100000195567_200000210301 [0,1,0,0,0,0|0,0,0]=1 384 B12R1.46 COc1ccc(cc1[N+](=O)[O-])C 7a_100000195567_200000210301 [0,1,0,0,0,0|0,0,0]=1 385 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Cl 34a_100000212152_200000210301 [0,1,0,0,0,0|1,0,0]=2 386 B12R1.46 COc1ccc(cc1[N+](=O)[O-])Cl 7a_100000212152_200000210301 [0,1,0,0,0,0|1,0,0]=2 387 B12R1.46 COc1ccc(cc1[N+](=O)[O-])F 34a_100000748789_200000210301 [0,1,0,0,0,0|1,0,0]=2 388 B12R1.46 COc1ccc(cc1[N+](=O)[O-])F 7a_100000748789_200000210301 [0,1,0,0,0,0|1,0,0]=2 389 B12R1.46 COc1ccc(cc1[N+](=O)[O-])I 7a_100000698543_200000210301 [0,1,0,0,0,0|1,0,0]=2 390 B12R1.46 COc1ccc(cc1[N+](=O)[O-])N 34a_100000032192_200000210301 [0,1,0,0,0,0|1,0,0]=2 391 B12R1.46 COc1ccc(cc1[N+](=O)[O-])N 7a_100000032192_200000210301 [0,1,0,0,0,0|1,0,0]=2 392 B12R1.46 COc1ccc(nc1[N+](=O)[O-])Br 7a_100000684561_200000210301 [0,1,0,0,0,0|2,0,0]=3 393 B12R1.46 COc1ccc(nc1[N+](=O)[O-])C 7a_100000211580_200000210301 [0,1,0,0,0,0|1,0,0]=2 394 B12R1.46 COc1ccc(nc1[N+](=O)[O-])Cl 7a_100000094143_200000210301 [0,1,0,0,0,0|2,0,0]=3 395 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_100012361225_200000210301 [0,1,0,0,0,0|2,1,0]=4 396 B12R1.46 CSc1ccc(cc1C(=O)C)C 62a_200000210301_100012361225 [0,1,0,0,0,0|2,1,0]=4 397 B12R1.46 CSc1ccc(cc1C(=O)N)C 62a_200000210301_200012349609 [0,1,0,0,0,0|2,1,0]=4 398 B12R1.46 CSc1ccc(cc1C(=O)N)C 62a_200012349609_200000210301 [0,1,0,0,0,0|2,1,0]=4 399 B12R1.46 Cc1ccc(c(c1)C(=O)N)N[13CH3] 34a_100011692829_200025704644 [0,1,0,0,0,0|3,0,0]=4 400 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 34a_200000192840_200025704644 [0,1,0,0,0,0|2,0,0]=3 401 B12R1.46 Cc1ccc(c(c1)C(=O)N)O[13CH3] 7a_200000192840_200025704644 [0,1,0,0,0,0|2,0,0]=3 402 B12R1.46 Cc1ccc(c(c1)C(=O)N)S[13CH3] 62a_200012349609_200025704644 [0,1,0,0,0,0|2,1,0]=4 403 B12R1.46 Cc1ccc(c(c1)C(=O)N)S[13CH3] 62a_200025704644_200012349609 [0,1,0,0,0,0|2,1,0]=4 404 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 34a_100000195567_200025704644 [0,1,0,0,0,0|0,0,0]=1 405 B12R1.46 Cc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 7a_100000195567_200025704644 [0,1,0,0,0,0|0,0,0]=1 406 B12R1.46 Cc1ccc(c(n1)[N+](=O)[O-])O[13CH3] 7a_100000211580_200025704644 [0,1,0,0,0,0|1,0,0]=2 407 B12R1.46 [13CH3]Nc1ccc(cc1[N+](=O)[O-])F 34a_100000187532_200025704644 [0,1,0,0,0,0|2,0,0]=3 408 B12R1.46 [13CH3]Oc1cc[n+](cc1[N+](=O)[O-])[O-] 7a_100000047301_200025704644 [0,1,0,0,0,0|2,0,0]=3 409 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Br 34a_100000192807_200025704644 [0,1,0,0,0,0|3,0,0]=4 410 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Br 7a_100000192807_200025704644 [0,1,0,0,0,0|3,0,0]=4 411 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Cl 34a_100000185026_200025704644 [0,1,0,0,0,0|3,0,0]=4 412 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)Cl 7a_100000185026_200025704644 [0,1,0,0,0,0|3,0,0]=4 413 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)F 34a_100012186459_200025704644 [0,1,0,0,0,0|3,0,0]=4 414 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)F 7a_100012186459_200025704644 [0,1,0,0,0,0|3,0,0]=4 415 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)I 34a_100000192813_200025704644 [0,1,0,0,0,0|3,0,0]=4 416 B12R1.46 [13CH3]Oc1ccc(cc1C(=O)N)I 7a_100000192813_200025704644 [0,1,0,0,0,0|3,0,0]=4 417 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Br 34a_100000757407_200025704644 [0,1,0,0,0,0|1,0,0]=2 418 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Br 7a_100000757407_200025704644 [0,1,0,0,0,0|1,0,0]=2 419 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Cl 34a_100000212152_200025704644 [0,1,0,0,0,0|1,0,0]=2 420 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])Cl 7a_100000212152_200025704644 [0,1,0,0,0,0|1,0,0]=2 421 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])F 34a_100000748789_200025704644 [0,1,0,0,0,0|1,0,0]=2 422 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])F 7a_100000748789_200025704644 [0,1,0,0,0,0|1,0,0]=2 423 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])I 7a_100000698543_200025704644 [0,1,0,0,0,0|1,0,0]=2 424 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])N 34a_100000032192_200025704644 [0,1,0,0,0,0|1,0,0]=2 425 B12R1.46 [13CH3]Oc1ccc(cc1[N+](=O)[O-])N 7a_100000032192_200025704644 [0,1,0,0,0,0|1,0,0]=2 426 B12R1.46 [13CH3]Oc1ccc(nc1[N+](=O)[O-])Br 7a_100000684561_200025704644 [0,1,0,0,0,0|2,0,0]=3 427 B12R1.46 [13CH3]Oc1ccc(nc1[N+](=O)[O-])Cl 7a_100000094143_200025704644 [0,1,0,0,0,0|2,0,0]=3 428 B12R1.128 CS(=O)(=O)c1cc(ccc1O)O 271570a_203496583355_200015712519 [0,1,0,0,0,0|2,0,1]=4 429 B12R1.128 Cc1ccc(c(c1)C(F)(F)F)O 271570a_203496583355_100009813799 [0,1,0,0,0,0|3,0,0]=4 430 B12R1.128 NS(=O)(=O)c1cc(ccc1O)F 271570a_203496583355_200011831050 [0,1,0,0,0,0|2,0,1]=4 431 B12R1.232 C=C(C)c1cc(c(cc1O)C)C 271570a_100000694244_100009814663 [0,1,0,0,0,0|3,0,0]=4 432 B12R1.232 CC(=O)c1cc(c(cc1Br)F)C 1458a_100010204433_200000210301 [0,1,0,0,0,0|3,0,0]=4 433 B12R1.232 CC(=O)c1cc(c(cc1C)Br)C 1458a_100000695896_200000210301 [0,1,0,0,0,0|3,0,0]=4 434 B12R1.232 CC(=O)c1cc(c(cc1C)C)C 1458a_100011216168_200000210301 [0,1,0,0,0,0|3,0,0]=4 435 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)C 1458a_100000687843_200000210301 [0,1,0,0,0,0|3,0,0]=4 436 B12R1.232 CC(=O)c1cc(c(cc1F)Br)C 1458a_100012354683_200000210301 [0,1,0,0,0,0|3,0,0]=4 437 B12R1.232 CC(=O)c1cc(c(cc1F)F)C 1458a_100000767126_200000210301 [0,1,0,0,0,0|3,0,0]=4 438 B12R1.232 CC(=O)c1cc(c(cc1I)C)C 1458a_100010184404_200000210301 [0,1,0,0,0,0|3,0,0]=4 439 B12R1.232 CC(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_200000210301 [0,1,0,0,0,0|3,0,0]=4 440 B12R1.232 CC(=O)c1cc(c(cc1O)C)Br 1458a_100010233826_200000210301 [0,1,0,0,0,0|3,0,0]=4 441 B12R1.232 CC(=O)c1cc(c(cc1O)C)C 1458a_100009831561_200000210301 [0,1,0,0,0,0|2,0,0]=3 442 B12R1.232 CC(=O)c1cc(c(cc1O)C)O 271570a_203496583355_200010233951 [0,1,0,0,0,0|3,0,0]=4 443 B12R1.232 CC(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_200000210301 [0,1,0,0,0,0|3,0,0]=4 444 B12R1.232 CC(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_200000210301 [0,1,0,0,0,0|3,0,0]=4 445 B12R1.232 CC(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_200000210301 [0,1,0,0,0,0|3,0,0]=4 446 B12R1.232 CC(=O)c1cc(c(cc1O)F)F 1458a_100012182723_200000210301 [0,1,0,0,0,0|3,0,0]=4 447 B12R1.232 CC(=O)c1cc(c(cc1O)F)F 271570a_203496583355_100013243444 [0,1,0,0,0,0|3,0,0]=4 448 B12R1.232 CC(=O)c1cc(c(cc1O)F)O 271570a_203496583355_100000691652 [0,1,0,0,0,0|3,0,0]=4 449 B12R1.232 CC(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200000210301 [0,1,0,0,0,0|3,0,0]=4 450 B12R1.232 CC(=O)c1cc(c(cc1O)O)C 271570a_203496583355_100009816031 [0,1,0,0,0,0|2,0,0]=3 451 B12R1.232 CC(=O)c1cc(c(cc1O)O)F 271570a_203496583355_200010245088 [0,1,0,0,0,0|3,0,0]=4 452 B12R1.232 Cc1cc(c(cc1Br)C(=O)[13CH3])O 1458a_100010233826_200025704644 [0,1,0,0,0,0|3,0,0]=4 453 B12R1.232 Cc1cc(c(cc1Br)C)C(=O)[13CH3] 1458a_100000695896_200025704644 [0,1,0,0,0,0|3,0,0]=4 454 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)[13CH3] 1458a_100012354683_200025704644 [0,1,0,0,0,0|3,0,0]=4 455 B12R1.232 Cc1cc(c(cc1C)B(O)O)O 271570a_203496583355_200134766076 [0,1,0,0,0,0|1,0,2]=4 456 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])C 1458a_100011216168_200025704644 [0,1,0,0,0,0|3,0,0]=4 457 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])I 1458a_100010184404_200025704644 [0,1,0,0,0,0|3,0,0]=4 458 B12R1.232 Cc1cc(c(cc1C)C(=O)[13CH3])O 1458a_100009831561_200025704644 [0,1,0,0,0,0|2,0,0]=3 459 B12R1.232 Cc1cc(c(cc1F)Br)C(=O)[13CH3] 1458a_100010204433_200025704644 [0,1,0,0,0,0|3,0,0]=4 460 B12R1.232 Cc1cc(c(cc1F)Cl)C(=O)[13CH3] 1458a_100000687843_200025704644 [0,1,0,0,0,0|3,0,0]=4 461 B12R1.232 Cc1cc(c(cc1F)F)C(=O)[13CH3] 1458a_100000767126_200025704644 [0,1,0,0,0,0|3,0,0]=4 462 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)Br)F 1458a_100010827371_200025704644 [0,1,0,0,0,0|3,0,0]=4 463 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)Cl)Br 1458a_200009814723_200025704644 [0,1,0,0,0,0|3,0,0]=4 464 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)Br 1458a_100010188153_200025704644 [0,1,0,0,0,0|3,0,0]=4 465 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)Cl 1458a_100009910333_200025704644 [0,1,0,0,0,0|3,0,0]=4 466 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)F)F 1458a_100012182723_200025704644 [0,1,0,0,0,0|3,0,0]=4 467 B12R1.232 [13CH3]C(=O)c1cc(c(cc1O)O)Br 1458a_100009813906_200025704644 [0,1,0,0,0,0|3,0,0]=4 468 B12R1.354 CCC(=O)c1cc(ccc1Br)C 1458a_100000689033_100000210202 [0,1,0,0,0,0|3,0,0]=4 469 B12R1.354 CCC(=O)c1cc(ccc1C)C 1458a_100000195421_100000210202 [0,1,0,0,0,0|3,0,0]=4 470 B12R1.354 CCC(=O)c1cc(ccc1Cl)C 1458a_100011290873_100000210202 [0,1,0,0,0,0|3,0,0]=4 471 B12R1.354 CCC(=O)c1cc(ccc1F)C 1458a_100000749327_100000210202 [0,1,0,0,0,0|3,0,0]=4 472 B12R1.354 CCC(=O)c1cc(ccc1I)C 1458a_100000057929_100000210202 [0,1,0,0,0,0|3,0,0]=4 473 B12R1.354 CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210202 [0,1,0,0,0,0|3,0,0]=4 474 B12R1.354 CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210202 [0,1,0,0,0,0|2,0,0]=3 475 B12R1.354 CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210202 [0,1,0,0,0,0|3,0,0]=4 476 B12R1.354 CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210202 [0,1,0,0,0,0|3,0,0]=4 477 B12R1.354 CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210202 [0,1,0,0,0,0|3,0,0]=4 478 B12R1.354 CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210202 [0,1,0,0,0,0|3,0,0]=4 479 B12R1.354 CCC(=O)c1cc(ccc1O)O 271570a_203496583355_100000183607 [0,1,0,0,0,0|3,0,0]=4 480 B12R1.354 CNC(=O)c1cc(ccc1Br)C 11a_106832991635_100000689033 [0,1,0,0,0,0|3,0,0]=4 481 B12R1.354 CNC(=O)c1cc(ccc1Br)C 1626a_100102657272_100000689033 [0,1,0,0,0,0|3,0,0]=4 482 B12R1.354 CNC(=O)c1cc(ccc1Br)C 240690a_100102657272_100000689033 [0,1,0,0,0,0|3,0,0]=4 483 B12R1.354 CNC(=O)c1cc(ccc1Br)C 527a_100102657272_100000689033 [0,1,0,0,0,0|3,0,0]=4 484 B12R1.354 CNC(=O)c1cc(ccc1C)C 11a_106832991635_100000195421 [0,1,0,0,0,0|3,0,0]=4 485 B12R1.354 CNC(=O)c1cc(ccc1C)C 1626a_100102657272_100000195421 [0,1,0,0,0,0|3,0,0]=4 486 B12R1.354 CNC(=O)c1cc(ccc1C)C 240690a_100102657272_100000195421 [0,1,0,0,0,0|3,0,0]=4 487 B12R1.354 CNC(=O)c1cc(ccc1C)C 527a_100102657272_100000195421 [0,1,0,0,0,0|3,0,0]=4 488 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 11a_106832991635_100011290873 [0,1,0,0,0,0|3,0,0]=4 489 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 1626a_100102657272_100011290873 [0,1,0,0,0,0|3,0,0]=4 490 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 240690a_100102657272_100011290873 [0,1,0,0,0,0|3,0,0]=4 491 B12R1.354 CNC(=O)c1cc(ccc1Cl)C 527a_100102657272_100011290873 [0,1,0,0,0,0|3,0,0]=4 492 B12R1.354 CNC(=O)c1cc(ccc1F)C 11a_106832991635_100000749327 [0,1,0,0,0,0|3,0,0]=4 493 B12R1.354 CNC(=O)c1cc(ccc1F)C 1626a_100102657272_100000749327 [0,1,0,0,0,0|3,0,0]=4 494 B12R1.354 CNC(=O)c1cc(ccc1F)C 240690a_100102657272_100000749327 [0,1,0,0,0,0|3,0,0]=4 495 B12R1.354 CNC(=O)c1cc(ccc1F)C 527a_100102657272_100000749327 [0,1,0,0,0,0|3,0,0]=4 496 B12R1.354 CNC(=O)c1cc(ccc1I)C 11a_106832991635_100000057929 [0,1,0,0,0,0|3,0,0]=4 497 B12R1.354 CNC(=O)c1cc(ccc1I)C 1626a_100102657272_100000057929 [0,1,0,0,0,0|3,0,0]=4 498 B12R1.354 CNC(=O)c1cc(ccc1I)C 240690a_100102657272_100000057929 [0,1,0,0,0,0|3,0,0]=4 499 B12R1.354 CNC(=O)c1cc(ccc1I)C 527a_100102657272_100000057929 [0,1,0,0,0,0|3,0,0]=4 500 B12R1.354 CNC(=O)c1cc(ccc1O)Br 1626a_100102657272_100000212140 [0,1,0,0,0,0|3,0,0]=4 501 B12R1.354 CNC(=O)c1cc(ccc1O)Br 240690a_100102657272_100000212140 [0,1,0,0,0,0|3,0,0]=4 502 B12R1.354 CNC(=O)c1cc(ccc1O)Br 527a_100102657272_100000212140 [0,1,0,0,0,0|3,0,0]=4 503 B12R1.354 CNC(=O)c1cc(ccc1O)C 240690a_100102657272_100000229998 [0,1,0,0,0,0|2,0,0]=3 504 B12R1.354 CNC(=O)c1cc(ccc1O)C 527a_100102657272_100000229998 [0,1,0,0,0,0|2,0,0]=3 505 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 11a_106832991635_100000212143 [0,1,0,0,0,0|3,0,0]=4 506 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 1626a_100102657272_100000212143 [0,1,0,0,0,0|3,0,0]=4 507 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 240690a_100102657272_100000212143 [0,1,0,0,0,0|3,0,0]=4 508 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 271570a_203496583355_200011279454 [0,1,0,0,0,0|3,0,0]=4 509 B12R1.354 CNC(=O)c1cc(ccc1O)Cl 527a_100102657272_100000212143 [0,1,0,0,0,0|3,0,0]=4 510 B12R1.354 CNC(=O)c1cc(ccc1O)F 240690a_100102657272_100000742286 [0,1,0,0,0,0|3,0,0]=4 511 B12R1.354 CNC(=O)c1cc(ccc1O)F 271570a_203496583355_200000206232 [0,1,0,0,0,0|3,0,0]=4 512 B12R1.354 CNC(=O)c1cc(ccc1O)F 527a_100102657272_100000742286 [0,1,0,0,0,0|3,0,0]=4 513 B12R1.354 CNC(=O)c1cc(ccc1O)I 240690a_100102657272_100000212111 [0,1,0,0,0,0|3,0,0]=4 514 B12R1.354 CNC(=O)c1cc(ccc1O)I 527a_100102657272_100000212111 [0,1,0,0,0,0|3,0,0]=4 515 B12R1.354 CNC(C)c1cc(ccc1O)C 269862a_106832991636_100000195442 [0,1,0,0,0,0|3,0,0]=4 516 B12R1.354 COC(=O)c1cc(ccc1O)Br 271570a_203496583355_100000148213 [0,1,0,0,0,0|2,0,1]=4 517 B12R1.354 COC(=O)c1cc(ccc1O)C 271570a_203496583355_100012339458 [0,1,0,0,0,0|1,0,1]=3 518 B12R1.354 COC(=O)c1cc(ccc1O)Cl 271570a_203496583355_100011294804 [0,1,0,0,0,0|2,0,1]=4 519 B12R1.354 COC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205820 [0,1,0,0,0,0|2,0,1]=4 520 B12R1.354 COC(=O)c1cc(ccc1O)N 271570a_203496583355_100000696289 [0,1,0,0,0,0|2,0,1]=4 521 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100000149868 [0,1,0,0,0,0|2,0,1]=4 522 B12R1.354 COC(=O)c1cc(ccc1O)O 271570a_203496583355_100010230369 [0,1,0,0,0,0|2,0,1]=4 523 B12R1.354 COC(=O)c1cc(cnc1O)C 271570a_203496583355_100000085774 [0,1,0,0,0,0|2,0,1]=4 524 B12R1.354 Cc1ccc(c(c1)C(=O)CF)Br 1458a_100000689033_100015361967 [0,1,0,0,0,0|3,0,0]=4 525 B12R1.354 Cc1ccc(c(c1)C(=O)CF)C 1458a_100000195421_100015361967 [0,1,0,0,0,0|3,0,0]=4 526 B12R1.354 Cc1ccc(c(c1)C(=O)CF)Cl 1458a_100011290873_100015361967 [0,1,0,0,0,0|3,0,0]=4 527 B12R1.354 Cc1ccc(c(c1)C(=O)CF)F 1458a_100000749327_100015361967 [0,1,0,0,0,0|3,0,0]=4 528 B12R1.354 Cc1ccc(c(c1)C(=O)CF)I 1458a_100000057929_100015361967 [0,1,0,0,0,0|3,0,0]=4 529 B12R1.354 Cc1ccc(c(c1)C(=O)CF)O 1458a_100000229998_100015361967 [0,1,0,0,0,0|2,0,0]=3 530 B12R1.354 NNC(=O)c1cc(ccc1O)F 271570a_203496583355_100000205862 [0,1,0,0,0,0|3,0,0]=4 531 B12R1.354 NNC(=O)c1cc(ccc1O)O 271570a_203496583355_100000193350 [0,1,0,0,0,0|3,0,0]=4 532 B12R1.354 O=C(CF)c1cc(ccc1O)Br 1458a_100000212140_100015361967 [0,1,0,0,0,0|3,0,0]=4 533 B12R1.354 O=C(CF)c1cc(ccc1O)Cl 1458a_100000212143_100015361967 [0,1,0,0,0,0|3,0,0]=4 534 B12R1.354 O=C(CF)c1cc(ccc1O)F 1458a_100000742286_100015361967 [0,1,0,0,0,0|3,0,0]=4 535 B12R1.354 O=C(CF)c1cc(ccc1O)I 1458a_100000212111_100015361967 [0,1,0,0,0,0|3,0,0]=4 536 B12R1.354 O=C(CF)c1cc(ccc1O)O 1458a_100000758025_100015361967 [0,1,0,0,0,0|3,0,0]=4 537 B12R1.453 C=C(C)c1cc(ccc1O)CC 271570a_100000694244_100012339963 [0,1,0,0,0,0|3,0,0]=4 538 B12R1.453 C=C(C)c1cc(ccc1O)CO 271570a_100000694244_100011191544 [0,1,0,0,0,0|3,0,0]=4 539 B12R1.453 C=C(C)c1cc(ccc1O)OC 271570a_100000694244_100000685887 [0,1,0,0,0,0|3,0,0]=4 540 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)O 271570a_100011290941_100000212127 [0,1,0,0,0,0|2,0,1]=4 541 B12R1.453 C=Cc1ccc(c(c1)C(=O)N)O 271570a_100011290941_100000192807 [0,1,0,0,0,0|2,0,1]=4 542 B12R1.453 CC(=O)c1cc(ccc1Br)CO 1458a_100010259715_200000210301 [0,1,0,0,0,0|3,0,0]=4 543 B12R1.453 CC(=O)c1cc(ccc1C)S[13CH3] 62a_100012706819_200025704644 [0,1,0,0,0,0|3,0,0]=4 544 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 34a_100009867868_200025704644 [0,1,0,0,0,0|3,0,0]=4 545 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 7a_100009867868_200025704644 [0,1,0,0,0,0|3,0,0]=4 546 B12R1.453 CC(=O)c1cc(ccc1Cl)S[13CH3] 62a_100010712560_200025704644 [0,1,0,0,0,0|3,0,0]=4 547 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 34a_100000091700_200025704644 [0,1,0,0,0,0|3,0,0]=4 548 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 7a_100000091700_200025704644 [0,1,0,0,0,0|3,0,0]=4 549 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_100000689017_200025704644 [0,1,0,0,0,0|3,0,0]=4 550 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100010254839 [0,1,0,0,0,0|3,0,0]=4 551 B12R1.453 CC(=O)c1cc(ccc1N)S[13CH3] 62a_100000695420_200025704644 [0,1,0,0,0,0|3,0,0]=4 552 B12R1.453 CC(=O)c1cc(ccc1O)C#N 1458a_100000719980_200000210301 [0,1,0,0,0,0|2,0,1]=4 553 B12R1.453 CC(=O)c1cc(ccc1O)CO 1458a_200000045694_200000210301 [0,1,0,0,0,0|2,0,0]=3 554 B12R1.453 CC(C)c1cc(ccc1O)S[13CH3] 62a_100000691460_200025704644 [0,1,0,0,0,0|3,0,0]=4 555 B12R1.453 CC(C)c1cc(ccc1O)S[13CH3] 62a_200025704644_100000691460 [0,1,0,0,0,0|3,0,0]=4 556 B12R1.453 CCc1ccc(c(c1)C(=O)C)O 1458a_200000748397_200000210301 [0,1,0,0,0,0|2,0,0]=3 557 B12R1.453 CCc1ccc(c(c1)C(=O)[13CH3])O 1458a_200000748397_200025704644 [0,1,0,0,0,0|2,0,0]=3 558 B12R1.453 CNc1ccc(c(c1)C(=O)N)Br 34a_100015186447_200000210301 [0,1,0,0,0,0|3,0,0]=4 559 B12R1.453 CNc1ccc(c(c1)C(=O)N)Br 7a_100015186447_200000210301 [0,1,0,0,0,0|3,0,0]=4 560 B12R1.453 CNc1ccc(c(c1)C(=O)N)C 34a_100000750465_200000210301 [0,1,0,0,0,0|3,0,0]=4 561 B12R1.453 CNc1ccc(c(c1)C(=O)N)C 7a_100000750465_200000210301 [0,1,0,0,0,0|3,0,0]=4 562 B12R1.453 CNc1ccc(c(c1)C(=O)N)Cl 34a_100000736848_200000210301 [0,1,0,0,0,0|3,0,0]=4 563 B12R1.453 CNc1ccc(c(c1)C(=O)N)Cl 7a_100000736848_200000210301 [0,1,0,0,0,0|3,0,0]=4 564 B12R1.453 CNc1ccc(c(c1)C(=O)N)F 34a_100000738046_200000210301 [0,1,0,0,0,0|3,0,0]=4 565 B12R1.453 CNc1ccc(c(c1)C(=O)N)F 7a_100000738046_200000210301 [0,1,0,0,0,0|3,0,0]=4 566 B12R1.453 CNc1ccc(c(c1)[N+](=O)[O-])C 34a_100000210030_200000210301 [0,1,0,0,0,0|1,0,0]=2 567 B12R1.453 CNc1ccc(c(c1)[N+](=O)[O-])F 34a_100000185763_200000210301 [0,1,0,0,0,0|1,0,0]=2 568 B12R1.453 COc1ccc(c(c1)B(O)O)O 271570a_203496583355_100009814730 [0,1,0,0,0,0|1,0,2]=4 569 B12R1.453 COc1ccc(c(c1)C(=O)C)Br 1458a_100000211723_200000210301 [0,1,0,0,0,0|3,0,0]=4 570 B12R1.453 COc1ccc(c(c1)C(=O)C)C 1458a_100011399813_200000210301 [0,1,0,0,0,0|3,0,0]=4 571 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 1458a_100000763818_200000210301 [0,1,0,0,0,0|3,0,0]=4 572 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 34a_100009867868_200000210301 [0,1,0,0,0,0|3,0,0]=4 573 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 7a_100009867868_200000210301 [0,1,0,0,0,0|3,0,0]=4 574 B12R1.453 COc1ccc(c(c1)C(=O)C)F 1458a_100011217016_200000210301 [0,1,0,0,0,0|3,0,0]=4 575 B12R1.453 COc1ccc(c(c1)C(=O)C)F 34a_100000091700_200000210301 [0,1,0,0,0,0|3,0,0]=4 576 B12R1.453 COc1ccc(c(c1)C(=O)C)F 7a_100000091700_200000210301 [0,1,0,0,0,0|3,0,0]=4 577 B12R1.453 COc1ccc(c(c1)C(=O)C)I 1458a_100012339533_200000210301 [0,1,0,0,0,0|3,0,0]=4 578 B12R1.453 COc1ccc(c(c1)C(=O)C)O 1458a_100000211986_200000210301 [0,1,0,0,0,0|2,0,0]=3 579 B12R1.453 COc1ccc(c(c1)C(=O)C)O 271570a_203496583355_100011360761 [0,1,0,0,0,0|2,0,0]=3 580 B12R1.453 COc1ccc(c(c1)C(=O)N)O 271570a_203496583355_100000162014 [0,1,0,0,0,0|2,0,0]=3 581 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000211723_200025704644 [0,1,0,0,0,0|3,0,0]=4 582 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])C 1458a_100011399813_200025704644 [0,1,0,0,0,0|3,0,0]=4 583 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000763818_200025704644 [0,1,0,0,0,0|3,0,0]=4 584 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])F 1458a_100011217016_200025704644 [0,1,0,0,0,0|3,0,0]=4 585 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])I 1458a_100012339533_200025704644 [0,1,0,0,0,0|3,0,0]=4 586 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000211986_200025704644 [0,1,0,0,0,0|2,0,0]=3 587 B12R1.453 COc1ccc(c(c1)C(F)F)O 271570a_203496583355_100010189949 [0,1,0,0,0,0|3,0,0]=4 588 B12R1.453 COc1ccc(c(c1)[C@H](C)N)O 271570a_203496583355_200015425320 [0,1,0,0,0,0|3,0,0]=4 589 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br 34a_100012232398_200000210301 [0,1,0,0,0,0|1,0,0]=2 590 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br 7a_100012232398_200000210301 [0,1,0,0,0,0|1,0,0]=2 591 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])C 34a_100000742313_200000210301 [0,1,0,0,0,0|1,0,0]=2 592 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])C 7a_100000742313_200000210301 [0,1,0,0,0,0|1,0,0]=2 593 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl 34a_100000718020_200000210301 [0,1,0,0,0,0|1,0,0]=2 594 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000718020_200000210301 [0,1,0,0,0,0|1,0,0]=2 595 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])F 34a_100011294462_200000210301 [0,1,0,0,0,0|1,0,0]=2 596 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])F 7a_100011294462_200000210301 [0,1,0,0,0,0|1,0,0]=2 597 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])I 7a_100000031453_200000210301 [0,1,0,0,0,0|1,0,0]=2 598 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])N 34a_100000740891_200000210301 [0,1,0,0,0,0|1,0,0]=2 599 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])N 7a_100000740891_200000210301 [0,1,0,0,0,0|1,0,0]=2 600 B12R1.453 CSc1ccc(c(c1)C(=O)C)C 62a_100012706819_200000210301 [0,1,0,0,0,0|3,0,0]=4 601 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 1458a_100000212015_200000210301 [0,1,0,0,0,0|3,0,0]=4 602 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_200000210301 [0,1,0,0,0,0|3,0,0]=4 603 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 1458a_200012183283_200000210301 [0,1,0,0,0,0|3,0,0]=4 604 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_100000689017_200000210301 [0,1,0,0,0,0|3,0,0]=4 605 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_200000210301_100010254839 [0,1,0,0,0,0|3,0,0]=4 606 B12R1.453 CSc1ccc(c(c1)C(=O)C)N 62a_100000695420_200000210301 [0,1,0,0,0,0|3,0,0]=4 607 B12R1.453 CSc1ccc(c(c1)C(=O)N)C 62a_100012257281_200000210301 [0,1,0,0,0,0|3,0,0]=4 608 B12R1.453 CSc1ccc(c(c1)C(=O)N)C 62a_200000210301_100012257281 [0,1,0,0,0,0|3,0,0]=4 609 B12R1.453 CSc1ccc(c(c1)C(=O)N)F 62a_100000162119_200000210301 [0,1,0,0,0,0|3,0,0]=4 610 B12R1.453 CSc1ccc(c(c1)C(=O)N)N 62a_100000740421_200000210301 [0,1,0,0,0,0|3,0,0]=4 611 B12R1.453 CSc1ccc(c(c1)C(=O)N)O 62a_100000192807_200000210301 [0,1,0,0,0,0|2,0,0]=3 612 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000212015_200025704644 [0,1,0,0,0,0|3,0,0]=4 613 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])F 1458a_200012183283_200025704644 [0,1,0,0,0,0|3,0,0]=4 614 B12R1.453 CSc1ccc(c(c1)C(C)C)O 62a_100000691460_200000210301 [0,1,0,0,0,0|3,0,0]=4 615 B12R1.453 CSc1ccc(c(c1)C(C)C)O 62a_200000210301_100000691460 [0,1,0,0,0,0|3,0,0]=4 616 B12R1.453 Cc1ccc(cc1C(=O)N)N[13CH3] 34a_100000750465_200025704644 [0,1,0,0,0,0|3,0,0]=4 617 B12R1.453 Cc1ccc(cc1C(=O)N)N[13CH3] 7a_100000750465_200025704644 [0,1,0,0,0,0|3,0,0]=4 618 B12R1.453 Cc1ccc(cc1C(=O)N)S[13CH3] 62a_100012257281_200025704644 [0,1,0,0,0,0|3,0,0]=4 619 B12R1.453 Cc1ccc(cc1C(=O)N)S[13CH3] 62a_200025704644_100012257281 [0,1,0,0,0,0|3,0,0]=4 620 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])N[13CH3] 34a_100000210030_200025704644 [0,1,0,0,0,0|1,0,0]=2 621 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])O[13CH3] 34a_100000742313_200025704644 [0,1,0,0,0,0|1,0,0]=2 622 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])O[13CH3] 7a_100000742313_200025704644 [0,1,0,0,0,0|1,0,0]=2 623 B12R1.453 [13CH3]C(=O)c1cc(ccc1Br)CO 1458a_100010259715_200025704644 [0,1,0,0,0,0|3,0,0]=4 624 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)C#N 1458a_100000719980_200025704644 [0,1,0,0,0,0|2,0,1]=4 625 B12R1.453 [13CH3]C(=O)c1cc(ccc1O)CO 1458a_200000045694_200025704644 [0,1,0,0,0,0|2,0,0]=3 626 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Br 34a_100015186447_200025704644 [0,1,0,0,0,0|3,0,0]=4 627 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Br 7a_100015186447_200025704644 [0,1,0,0,0,0|3,0,0]=4 628 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Cl 34a_100000736848_200025704644 [0,1,0,0,0,0|3,0,0]=4 629 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)Cl 7a_100000736848_200025704644 [0,1,0,0,0,0|3,0,0]=4 630 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)F 34a_100000738046_200025704644 [0,1,0,0,0,0|3,0,0]=4 631 B12R1.453 [13CH3]Nc1ccc(c(c1)C(=O)N)F 7a_100000738046_200025704644 [0,1,0,0,0,0|3,0,0]=4 632 B12R1.453 [13CH3]Nc1ccc(c(c1)[N+](=O)[O-])F 34a_100000185763_200025704644 [0,1,0,0,0,0|1,0,0]=2 633 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Br 34a_100012232398_200025704644 [0,1,0,0,0,0|1,0,0]=2 634 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Br 7a_100012232398_200025704644 [0,1,0,0,0,0|1,0,0]=2 635 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Cl 34a_100000718020_200025704644 [0,1,0,0,0,0|1,0,0]=2 636 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000718020_200025704644 [0,1,0,0,0,0|1,0,0]=2 637 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])F 34a_100011294462_200025704644 [0,1,0,0,0,0|1,0,0]=2 638 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])F 7a_100011294462_200025704644 [0,1,0,0,0,0|1,0,0]=2 639 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])I 7a_100000031453_200025704644 [0,1,0,0,0,0|1,0,0]=2 640 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])N 34a_100000740891_200025704644 [0,1,0,0,0,0|1,0,0]=2 641 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])N 7a_100000740891_200025704644 [0,1,0,0,0,0|1,0,0]=2 642 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)F 62a_100000162119_200025704644 [0,1,0,0,0,0|3,0,0]=4 643 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)N 62a_100000740421_200025704644 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.453 [13CH3]Sc1ccc(c(c1)C(=O)N)O 62a_100000192807_200025704644 [0,1,0,0,0,0|2,0,0]=3 645 B12R1.511 C=C(C)c1cc(cc(c1O)C)C 271570a_100000694244_100011934984 [0,1,0,0,0,0|3,0,0]=4 646 B12R1.511 C=C(C)c1cc(cc(c1O)F)C 271570a_100000694244_200135191068 [0,1,0,0,0,0|3,0,0]=4 647 B12R1.511 CC(=O)c1cc(cc(c1Br)Br)C 1458a_200012920551_200000210301 [0,1,0,0,0,0|3,0,0]=4 648 B12R1.511 CC(=O)c1cc(cc(c1Br)C)C 1458a_200000701928_200000210301 [0,1,0,0,0,0|3,0,0]=4 649 B12R1.511 CC(=O)c1cc(cc(c1F)Br)C 1458a_100009996753_200000210301 [0,1,0,0,0,0|3,0,0]=4 650 B12R1.511 CC(=O)c1cc(cc(c1F)F)C 1458a_100000094381_200000210301 [0,1,0,0,0,0|3,0,0]=4 651 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Br 1458a_100000212120_200000210301 [0,1,0,0,0,0|3,0,0]=4 652 B12R1.511 CC(=O)c1cc(cc(c1O)Br)Cl 1458a_100000765379_200000210301 [0,1,0,0,0,0|3,0,0]=4 653 B12R1.511 CC(=O)c1cc(cc(c1O)C)Br 1458a_100011825902_200000210301 [0,1,0,0,0,0|3,0,0]=4 654 B12R1.511 CC(=O)c1cc(cc(c1O)C)Cl 1458a_100011255218_200000210301 [0,1,0,0,0,0|3,0,0]=4 655 B12R1.511 CC(=O)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_200000210301 [0,1,0,0,0,0|3,0,0]=4 656 B12R1.511 CC(=O)c1cc(cc(c1O)F)Br 1458a_100011255233_200000210301 [0,1,0,0,0,0|3,0,0]=4 657 B12R1.511 CC(=O)c1cc(cc(c1O)F)F 1458a_100011255242_200000210301 [0,1,0,0,0,0|3,0,0]=4 658 B12R1.511 CC(=O)c1cc(cc(c1O)I)I 1458a_100000748652_200000210301 [0,1,0,0,0,0|3,0,0]=4 659 B12R1.511 CC(=O)c1cc(cc(c1O)O)Br 1458a_200010196872_200000210301 [0,1,0,0,0,0|3,0,0]=4 660 B12R1.511 CC(=O)c1cc(cc(c1O)O)C 271570a_203496583355_100011659362 [0,1,0,0,0,0|2,0,0]=3 661 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])Br)Br 1458a_200012920551_200025704644 [0,1,0,0,0,0|3,0,0]=4 662 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])Br)C 1458a_200000701928_200025704644 [0,1,0,0,0,0|3,0,0]=4 663 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])F)Br 1458a_100009996753_200025704644 [0,1,0,0,0,0|3,0,0]=4 664 B12R1.511 Cc1cc(c(c(c1)C(=O)[13CH3])F)F 1458a_100000094381_200025704644 [0,1,0,0,0,0|3,0,0]=4 665 B12R1.511 Cc1cc(cc(c1O)C(=O)[13CH3])Br 1458a_100011825902_200025704644 [0,1,0,0,0,0|3,0,0]=4 666 B12R1.511 Cc1cc(cc(c1O)C(=O)[13CH3])Cl 1458a_100011255218_200025704644 [0,1,0,0,0,0|3,0,0]=4 667 B12R1.511 NC(=O)c1cc(cc(c1O)O)F 271570a_203496583355_200135271384 [0,1,0,0,0,0|3,0,0]=4 668 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Br)Br 1458a_100000212120_200025704644 [0,1,0,0,0,0|3,0,0]=4 669 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Br)Cl 1458a_100000765379_200025704644 [0,1,0,0,0,0|3,0,0]=4 670 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_200025704644 [0,1,0,0,0,0|3,0,0]=4 671 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)F)Br 1458a_100011255233_200025704644 [0,1,0,0,0,0|3,0,0]=4 672 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)F)F 1458a_100011255242_200025704644 [0,1,0,0,0,0|3,0,0]=4 673 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)I)I 1458a_100000748652_200025704644 [0,1,0,0,0,0|3,0,0]=4 674 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)O)Br 1458a_200010196872_200025704644 [0,1,0,0,0,0|3,0,0]=4 675 B12R1.894 CC(=O)c1c(ccc(c1Br)C)F 1458a_100000720849_200000210301 [0,1,0,0,0,0|3,0,0]=4 676 B12R1.894 CC(=O)c1c(ccc(c1Cl)C)Br 1458a_200010769262_200000210301 [0,1,0,0,0,0|3,0,0]=4 677 B12R1.894 CC(=O)c1c(ccc(c1Cl)C)F 1458a_100000036856_200000210301 [0,1,0,0,0,0|3,0,0]=4 678 B12R1.894 CC(=O)c1c(ccc(c1F)C)Br 1458a_100010271678_200000210301 [0,1,0,0,0,0|3,0,0]=4 679 B12R1.894 CC(=O)c1c(ccc(c1F)C)Cl 1458a_100000039063_200000210301 [0,1,0,0,0,0|3,0,0]=4 680 B12R1.894 CC(=O)c1c(ccc(c1F)C)F 1458a_100000692215_200000210301 [0,1,0,0,0,0|3,0,0]=4 681 B12R1.894 CC(=O)c1c(ccc(c1F)F)O 1458a_100000062415_200000210301 [0,1,0,0,0,0|3,0,0]=4 682 B12R1.894 CC(=O)c1c(ccc(c1O)Br)O 1458a_100010008628_200000210301 [0,1,0,0,0,0|3,0,0]=4 683 B12R1.894 CC(=O)c1c(ccc(c1O)C)C 1458a_100011255215_200000210301 [0,1,0,0,0,0|3,0,0]=4 684 B12R1.894 CC(=O)c1c(ccc(c1O)Cl)O 1458a_100000080727_200000210301 [0,1,0,0,0,0|3,0,0]=4 685 B12R1.894 Cc1ccc(c(c1Br)C(=O)[13CH3])F 1458a_100000720849_200025704644 [0,1,0,0,0,0|3,0,0]=4 686 B12R1.894 Cc1ccc(c(c1Cl)C(=O)[13CH3])Br 1458a_200010769262_200025704644 [0,1,0,0,0,0|3,0,0]=4 687 B12R1.894 Cc1ccc(c(c1Cl)C(=O)[13CH3])F 1458a_100000036856_200025704644 [0,1,0,0,0,0|3,0,0]=4 688 B12R1.894 Cc1ccc(c(c1F)B(O)O)O 271570a_203496583355_100009814727 [0,1,0,0,0,0|1,0,2]=4 689 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])Br 1458a_100010271678_200025704644 [0,1,0,0,0,0|3,0,0]=4 690 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])Cl 1458a_100000039063_200025704644 [0,1,0,0,0,0|3,0,0]=4 691 B12R1.894 Cc1ccc(c(c1F)C(=O)[13CH3])F 1458a_100000692215_200025704644 [0,1,0,0,0,0|3,0,0]=4 692 B12R1.894 Cc1ccc(c(c1O)C(=O)[13CH3])C 1458a_100011255215_200025704644 [0,1,0,0,0,0|3,0,0]=4 693 B12R1.894 [13CH3]C(=O)c1c(ccc(c1F)F)O 1458a_100000062415_200025704644 [0,1,0,0,0,0|3,0,0]=4 694 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Br)O 1458a_100010008628_200025704644 [0,1,0,0,0,0|3,0,0]=4 695 B12R1.894 [13CH3]C(=O)c1c(ccc(c1O)Cl)O 1458a_100000080727_200025704644 [0,1,0,0,0,0|3,0,0]=4 696 B12R2.132 O=C1COc2c1cc(cc2)O 271570a_203496583355_100000752586 [0,0,0,1,0,0|3,0,0]=4 697 B12R2.132 O=c1[nH]oc2c1cc(cc2)O 271570a_203496583355_100000732257 [0,0,0,1,0,0|3,0,0]=4 698 B12R2.1316 Cc1ccc(c(c1)C2CC2)O 271570a_100011220607_100000765521 [0,0,0,1,0,0|3,0,0]=4 699 B12R1.127 CC(=Cc1cc(ccc1O)C)C 271570a_100102525489_100000765521 [0,0,0,0,0,1|3,0,0]=4 700 B12R1.127 CC(=O)Cc1cc(ccc1Br)C 1458a_100010004923_200000210301 [0,0,0,0,0,1|3,0,0]=4 701 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000070787_100000184699 [0,0,0,0,0,1|3,0,0]=4 702 B12R1.127 CC(=O)Cc1cc(ccc1C)C 1458a_100000749331_200000210301 [0,0,0,0,0,1|3,0,0]=4 703 B12R1.127 CC(=O)Cc1cc(ccc1Cl)C 1458a_100000070787_100009871730 [0,0,0,0,0,1|3,0,0]=4 704 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100000070787_100011260760 [0,0,0,0,0,1|3,0,0]=4 705 B12R1.127 CC(=O)Cc1cc(ccc1F)C 1458a_100011667363_200000210301 [0,0,0,0,0,1|3,0,0]=4 706 B12R1.127 CC(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200000210301 [0,0,0,0,0,1|3,0,0]=4 707 B12R1.127 CC(=O)Cc1cc(ccc1O)F 1458a_100000070787_100010161318 [0,0,0,0,0,1|3,0,0]=4 708 B12R1.127 CC(=O)Cc1cc(ccc1O)O 1458a_100000038496_200000210301 [0,0,0,0,0,1|3,0,0]=4 709 B12R1.127 CC(=O)Cc1cc(ccc1O)O 271570a_203496583355_200010006938 [0,0,0,0,0,1|3,0,0]=4 710 B12R1.127 CC(=O)Cc1nc(ccc1O)C 1458a_100000070787_100020630696 [0,0,0,0,0,1|3,0,0]=4 711 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 11a_100000745044_100015343762 [0,0,0,0,0,1|3,0,0]=4 712 B12R1.127 CC(=O)Nc1cc(ccc1Br)C 1626a_100000745044_100015343762 [0,0,0,0,0,1|3,0,0]=4 713 B12R1.127 CC(=O)Nc1cc(ccc1C)C 11a_100000185781_100015343762 [0,0,0,0,0,1|3,0,0]=4 714 B12R1.127 CC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100015343762 [0,0,0,0,0,1|3,0,0]=4 715 B12R1.127 CC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000070787 [0,0,0,0,0,1|3,0,0]=4 716 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 11a_100011215360_100015343762 [0,0,0,0,0,1|3,0,0]=4 717 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 1626a_100011215360_100015343762 [0,0,0,0,0,1|3,0,0]=4 718 B12R1.127 CC(=O)Nc1cc(ccc1Cl)C 22a_100011215360_100000070787 [0,0,0,0,0,1|3,0,0]=4 719 B12R1.127 CC(=O)Nc1cc(ccc1F)C 11a_100000211285_100015343762 [0,0,0,0,0,1|3,0,0]=4 720 B12R1.127 CC(=O)Nc1cc(ccc1F)C 1626a_100000211285_100015343762 [0,0,0,0,0,1|3,0,0]=4 721 B12R1.127 CC(=O)Nc1cc(ccc1F)C 22a_100000211285_100000070787 [0,0,0,0,0,1|3,0,0]=4 722 B12R1.127 CC(=O)Nc1cc(ccc1F)C 527a_100000211285_100103153847 [0,0,0,0,0,1|3,0,0]=4 723 B12R1.127 CC(=O)Nc1cc(ccc1I)C 11a_100011216686_100015343762 [0,0,0,0,0,1|3,0,0]=4 724 B12R1.127 CC(=O)Nc1cc(ccc1I)C 1626a_100011216686_100015343762 [0,0,0,0,0,1|3,0,0]=4 725 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000070787 [0,0,0,0,0,1|3,0,0]=4 726 B12R1.127 CC(=O)Nc1cc(ccc1O)Br 527a_100000752626_100103153847 [0,0,0,0,0,1|3,0,0]=4 727 B12R1.127 CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000070787 [0,0,0,0,0,1|2,0,0]=3 728 B12R1.127 CC(=O)Nc1cc(ccc1O)C 271570a_203496583355_100000182586 [0,0,0,0,0,1|2,0,0]=3 729 B12R1.127 CC(=O)Nc1cc(ccc1O)C 527a_100011215204_100103153847 [0,0,0,0,0,1|2,0,0]=3 730 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000070787 [0,0,0,0,0,1|3,0,0]=4 731 B12R1.127 CC(=O)Nc1cc(ccc1O)Cl 527a_100000210500_100103153847 [0,0,0,0,0,1|3,0,0]=4 732 B12R1.127 CC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000070787 [0,0,0,0,0,1|3,0,0]=4 733 B12R1.127 CC(=O)Nc1cc(ccc1O)F 271570a_203496583355_100012558231 [0,0,0,0,0,1|3,0,0]=4 734 B12R1.127 CC(=O)Nc1cc(ccc1O)F 527a_100000759472_100103153847 [0,0,0,0,0,1|3,0,0]=4 735 B12R1.127 CC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000070787 [0,0,0,0,0,1|3,0,0]=4 736 B12R1.127 CC(=O)Nc1cc(ccc1O)I 527a_100000753495_100103153847 [0,0,0,0,0,1|3,0,0]=4 737 B12R1.127 CC(=O)Oc1cc(ccc1O)F 271570a_203496583355_200015685721 [0,0,0,0,0,1|3,0,0]=4 738 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])Br 1458a_100010004923_200025704644 [0,0,0,0,0,1|3,0,0]=4 739 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])C 1458a_100000749331_200025704644 [0,0,0,0,0,1|3,0,0]=4 740 B12R1.127 Cc1ccc(c(c1)CC(=O)[13CH3])F 1458a_100011667363_200025704644 [0,0,0,0,0,1|3,0,0]=4 741 B12R1.127 Cc1ccc(c(c1)NC(C)C)O 34a_100011215204_100000210206 [0,0,0,0,0,1|3,0,0]=4 742 B12R1.127 Cc1ccc(c(c1)SC(C)C)O 62a_100000210206_100000765521 [0,0,0,0,0,1|3,0,0]=4 743 B12R1.127 Cc1ccc(c(c1)SC(C)C)O 62a_100000765521_100000210206 [0,0,0,0,0,1|3,0,0]=4 744 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)Br 1458a_100010072483_200025704644 [0,0,0,0,0,1|3,0,0]=4 745 B12R1.127 [13CH3]C(=O)Cc1cc(ccc1O)O 1458a_100000038496_200025704644 [0,0,0,0,0,1|3,0,0]=4 746 B9R0.4 C=CC=CC(=O)C[N+](=O)[O-] 1458a_100016291481_100000761209 [1,0,1,0,0,0|0,0,2]=4 747 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [2,0,0,0,0,0|2,0,0]=4 748 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [2,0,0,0,0,0|1,0,1]=4 749 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [2,0,0,0,0,0|1,0,1]=4 750 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [2,0,0,0,0,0|2,0,0]=4 751 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [2,0,0,0,0,0|2,0,0]=4 752 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [2,0,0,0,0,0|2,0,0]=4 753 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [2,0,0,0,0,0|2,0,0]=4 754 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [2,0,0,0,0,0|1,0,1]=4 755 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [2,0,0,0,0,0|1,0,1]=4 756 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [2,0,0,0,0,0|2,0,0]=4 757 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [2,0,0,0,0,0|2,0,0]=4 758 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [2,0,0,0,0,0|2,0,0]=4 759 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [2,0,0,0,0,0|2,0,0]=4 760 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [2,0,0,0,0,0|2,0,0]=4 761 B9R1.15 C=Cc1ccccc1O 271570a_100011290941_100000739446 [2,0,0,0,0,0|2,0,0]=4 762 B9R1.15 CCc1ccccc1O 271570a_203496583355_100011215823 [2,0,0,0,0,0|2,0,0]=4 763 B9R1.15 CNc1ccccc1O 271570a_203496583355_100020606079 [2,0,0,0,0,0|1,0,1]=4 764 B9R1.15 CNc1ccccc1O 34a_100000185747_200000210301 [2,0,0,0,0,0|1,0,1]=4 765 B9R1.15 COc1ccccc1O 271570a_203496583355_100000174000 [2,0,0,0,0,0|2,0,0]=4 766 B9R1.15 CSc1ccccc1O 271570a_203496583355_100011217816 [2,0,0,0,0,0|2,0,0]=4 767 B9R1.15 CSc1ccccc1O 62a_100000739446_200000210301 [2,0,0,0,0,0|2,0,0]=4 768 B9R1.15 CSc1ccccc1O 62a_200000210301_100000739446 [2,0,0,0,0,0|2,0,0]=4 769 B9R1.15 N#Cc1ccccc1O 271570a_203496583355_100000188569 [2,0,0,0,0,0|2,0,0]=4 770 B9R1.15 NCc1ccccc1O 271570a_203496583355_100000689332 [2,0,0,0,0,0|2,0,0]=4 771 B9R1.15 NNc1ccccc1O 271570a_203496583355_100000241748 [2,0,0,0,0,0|1,0,1]=4 772 B9R1.15 O=Cc1ccccc1O 271570a_203496583355_100000211189 [2,0,0,0,0,0|1,0,0]=3 773 B9R1.15 O=Cc1cccnc1O 271570a_203496583355_100009816751 [2,0,0,0,0,0|2,0,0]=4 774 B9R1.15 O=Cc1ccncc1O 271570a_203496583355_100011934409 [2,0,0,0,0,0|2,0,0]=4 775 B9R1.15 O=Cc1cnccc1O 271570a_203496583355_100000050567 [2,0,0,0,0,0|2,0,0]=4 776 B9R1.15 O=Cc1ncccc1O 271570a_203496583355_100011934733 [2,0,0,0,0,0|2,0,0]=4 777 B9R1.15 OCc1ccccc1O 271570a_203496583355_100000187465 [2,0,0,0,0,0|1,0,1]=4 778 B9R1.15 [13CH3]Nc1ccccc1O 34a_100000185747_200025704644 [2,0,0,0,0,0|1,0,1]=4 779 B9R1.15 [13CH3]Sc1ccccc1O 62a_100000739446_200025704644 [2,0,0,0,0,0|2,0,0]=4 780 B9R1.15 [13CH3]Sc1ccccc1O 62a_200025704644_100000739446 [2,0,0,0,0,0|2,0,0]=4 781 B9R1.69 Cc1cc(c(cn1)O)C 271570a_203496583355_100009819613 [2,0,0,0,0,0|2,0,0]=4 782 B9R1.69 Cc1cc(c(cn1)O)N 271570a_203496583355_100009817891 [2,0,0,0,0,0|1,0,1]=4 783 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100009843476 [2,0,0,0,0,0|1,0,1]=4 784 B9R1.69 Cc1cc(c(cn1)O)O 271570a_203496583355_100011016184 [2,0,0,0,0,0|1,0,1]=4 785 B9R1.69 Cc1cc(ccc1O)Br 271570a_203496583355_100000701812 [2,0,0,0,0,0|2,0,0]=4 786 B9R1.69 Cc1cc(ccc1O)Cl 271570a_203496583355_100011219607 [2,0,0,0,0,0|2,0,0]=4 787 B9R1.69 Cc1cc(ccc1O)F 271570a_203496583355_100011205405 [2,0,0,0,0,0|2,0,0]=4 788 B9R1.69 Cc1cc(ccc1O)N 271570a_203496583355_100000210723 [2,0,0,0,0,0|2,0,0]=4 789 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000186361 [2,0,0,0,0,0|2,0,0]=4 790 B9R1.69 Cc1cc(ccc1O)O 271570a_203496583355_100000729255 [2,0,0,0,0,0|2,0,0]=4 791 B9R1.69 Cc1ccc([n+](c1)[O-])O 271570a_203496583355_100009819918 [2,0,0,0,0,0|1,0,0]=3 792 B9R1.69 Cc1ccc(c(c1)Br)O 271570a_203496583355_100009813563 [2,0,0,0,0,0|1,0,0]=3 793 B9R1.69 Cc1ccc(c(c1)C)O 271570a_203496583355_100011217332 [2,0,0,0,0,0|1,0,0]=3 794 B9R1.69 Cc1ccc(c(c1)Cl)O 271570a_203496583355_100011263221 [2,0,0,0,0,0|1,0,0]=3 795 B9R1.69 Cc1ccc(c(c1)F)O 271570a_203496583355_100011216119 [2,0,0,0,0,0|1,0,0]=3 796 B9R1.69 Cc1ccc(c(c1)N)O 271570a_203496583355_100011216686 [2,0,0,0,0,0|0,0,1]=3 797 B9R1.69 Cc1ccc(c(c1)O)Br 271570a_203496583355_100012353751 [2,0,0,0,0,0|1,0,1]=4 798 B9R1.69 Cc1ccc(c(c1)O)C 271570a_203496583355_100000210833 [2,0,0,0,0,0|1,0,1]=4 799 B9R1.69 Cc1ccc(c(c1)O)Cl 271570a_203496583355_100012356289 [2,0,0,0,0,0|1,0,1]=4 800 B9R1.69 Cc1ccc(c(c1)O)F 271570a_203496583355_100000736223 [2,0,0,0,0,0|1,0,1]=4 801 B9R1.69 Cc1ccc(c(c1)O)N 271570a_203496583355_100000210942 [2,0,0,0,0,0|1,0,1]=4 802 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100000765521 [2,0,0,0,0,0|0,0,1]=3 803 B9R1.69 Cc1ccc(c(c1)O)O 271570a_203496583355_100012002257 [2,0,0,0,0,0|0,0,1]=3 804 B9R1.69 Cc1ccc(c(n1)C)O 271570a_203496583355_100009813853 [2,0,0,0,0,0|2,0,0]=4 805 B9R1.69 Cc1ccc(c(n1)F)O 271570a_203496583355_100010006597 [2,0,0,0,0,0|2,0,0]=4 806 B9R1.69 Cc1ccc(c(n1)N)O 271570a_203496583355_100009816662 [2,0,0,0,0,0|1,0,1]=4 807 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100000702858 [2,0,0,0,0,0|1,0,1]=4 808 B9R1.69 Cc1ccc(c(n1)O)O 271570a_203496583355_100009817604 [2,0,0,0,0,0|1,0,1]=4 809 B9R1.69 Cc1cnc(c(c1)C)O 271570a_203496583355_100009864548 [2,0,0,0,0,0|2,0,0]=4 810 B9R1.69 Cc1cnc(c(c1)F)O 271570a_203496583355_100009819633 [2,0,0,0,0,0|2,0,0]=4 811 B9R1.69 Cc1cnc(c(c1)N)O 271570a_203496583355_100000733613 [2,0,0,0,0,0|1,0,1]=4 812 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100000049931 [2,0,0,0,0,0|1,0,1]=4 813 B9R1.69 Cc1cnc(c(c1)O)O 271570a_203496583355_100012000487 [2,0,0,0,0,0|1,0,1]=4 814 B9R1.69 Cc1ncc(c(=O)[nH]1)O 271570a_203496583355_100011999157 [2,0,0,0,0,0|2,0,0]=4 815 B9R1.69 Nc1cc(ccc1O)Br 271570a_203496583355_100000743836 [2,0,0,0,0,0|1,0,1]=4 816 B9R1.69 Nc1cc(ccc1O)Cl 271570a_203496583355_100000761886 [2,0,0,0,0,0|1,0,1]=4 817 B9R1.69 Nc1cc(ccc1O)F 271570a_203496583355_100011218093 [2,0,0,0,0,0|1,0,1]=4 818 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100000752626 [2,0,0,0,0,0|1,0,1]=4 819 B9R1.69 Nc1cc(ccc1O)O 271570a_203496583355_100011999798 [2,0,0,0,0,0|1,0,1]=4 820 B9R1.69 Nc1ccc(c(c1)Br)O 271570a_203496583355_100000750458 [2,0,0,0,0,0|2,0,0]=4 821 B9R1.69 Nc1ccc(c(c1)Cl)O 271570a_203496583355_100000761885 [2,0,0,0,0,0|2,0,0]=4 822 B9R1.69 Nc1ccc(c(c1)F)O 271570a_203496583355_100011356925 [2,0,0,0,0,0|2,0,0]=4 823 B9R1.69 Nc1ccc(c(c1)N)O 271570a_203496583355_200012175722 [2,0,0,0,0,0|1,0,1]=4 824 B9R1.69 Nc1ccc(c(c1)O)O 271570a_203496583355_100011534360 [2,0,0,0,0,0|1,0,1]=4 825 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100000701344 [2,0,0,0,0,0|2,0,0]=4 826 B9R1.69 Oc1ccc(c(c1)Br)O 271570a_203496583355_100012361655 [2,0,0,0,0,0|2,0,0]=4 827 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100000047559 [2,0,0,0,0,0|2,0,0]=4 828 B9R1.69 Oc1ccc(c(c1)Cl)O 271570a_203496583355_100012360047 [2,0,0,0,0,0|2,0,0]=4 829 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000185481 [2,0,0,0,0,0|2,0,0]=4 830 B9R1.69 Oc1ccc(c(c1)F)O 271570a_203496583355_100000755031 [2,0,0,0,0,0|2,0,0]=4 831 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813601 [2,0,0,0,0,0|1,0,1]=4 832 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813629 [2,0,0,0,0,0|1,0,1]=4 833 B9R1.69 Oc1ccc(c(c1)O)O 271570a_203496583355_100009813921 [2,0,0,0,0,0|1,0,1]=4 834 B9R1.69 Oc1ccc(cc1Br)Br 271570a_203496583355_100011484698 [2,0,0,0,0,0|2,0,0]=4 835 B9R1.69 Oc1ccc(cc1Br)Cl 271570a_203496583355_100011219703 [2,0,0,0,0,0|2,0,0]=4 836 B9R1.69 Oc1ccc(cc1Br)F 271570a_203496583355_100011217111 [2,0,0,0,0,0|2,0,0]=4 837 B9R1.69 Oc1ccc(cc1Cl)Br 271570a_203496583355_100011216062 [2,0,0,0,0,0|2,0,0]=4 838 B9R1.69 Oc1ccc(cc1Cl)Cl 271570a_203496583355_100000699841 [2,0,0,0,0,0|2,0,0]=4 839 B9R1.69 Oc1ccc(cc1Cl)F 271570a_203496583355_100000733362 [2,0,0,0,0,0|2,0,0]=4 840 B9R1.69 Oc1ccc(cc1F)Br 271570a_203496583355_100009814013 [2,0,0,0,0,0|2,0,0]=4 841 B9R1.69 Oc1ccc(cc1F)Cl 271570a_203496583355_100011216042 [2,0,0,0,0,0|2,0,0]=4 842 B9R1.69 Oc1ccc(cc1F)F 271570a_203496583355_100000750030 [2,0,0,0,0,0|2,0,0]=4 843 B9R1.69 Oc1ccc(cc1O)Br 271570a_203496583355_100012344904 [2,0,0,0,0,0|1,0,1]=4 844 B9R1.69 Oc1ccc(cc1O)Br 271570a_203496583355_100012355227 [2,0,0,0,0,0|1,0,1]=4 845 B9R1.69 Oc1ccc(cc1O)Cl 271570a_203496583355_100000050036 [2,0,0,0,0,0|1,0,1]=4 846 B9R1.69 Oc1ccc(cc1O)Cl 271570a_203496583355_100011356953 [2,0,0,0,0,0|1,0,1]=4 847 B9R1.69 Oc1ccc(cc1O)F 271570a_203496583355_100000211999 [2,0,0,0,0,0|1,0,1]=4 848 B9R1.69 Oc1ccc(cc1O)F 271570a_203496583355_100000690578 [2,0,0,0,0,0|1,0,1]=4 849 B9R1.69 [O-][n+]1cc(ccc1O)F 271570a_203496583355_100009817261 [2,0,0,0,0,0|2,0,0]=4 850 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|2,0,0]=4 851 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|2,0,0]=4 852 B11R0.107 CC=C(C)C=CC(=O)C[N+](=O)[O-] 1458a_100000692105_100000761209 [0,1,1,0,0,0|0,0,2]=4 853 B11R1.8 C=Cc1cc(cc(c1O)C)C 271570a_100011290941_100011934984 [1,1,0,0,0,0|2,0,0]=4 854 B11R1.8 C=Cc1cc(cc(c1O)F)C 271570a_100011290941_200135191068 [1,1,0,0,0,0|2,0,0]=4 855 B11R1.8 CNc1cc(cc(c1O)C)C 34a_100011216242_200000210301 [1,1,0,0,0,0|1,0,1]=4 856 B11R1.8 CNc1cc(cc(c1O)C)C 7a_100011216242_200000210301 [1,1,0,0,0,0|1,0,1]=4 857 B11R1.8 CSc1cc(cc(c1O)C)C 62a_100011934984_200000210301 [1,1,0,0,0,0|2,0,0]=4 858 B11R1.8 CSc1cc(cc(c1O)C)C 62a_200000210301_100011934984 [1,1,0,0,0,0|2,0,0]=4 859 B11R1.8 CSc1cc(cc(c1O)F)C 62a_200000210301_200135191068 [1,1,0,0,0,0|2,0,0]=4 860 B11R1.8 CSc1cc(cc(c1O)F)C 62a_200135191068_200000210301 [1,1,0,0,0,0|2,0,0]=4 861 B11R1.8 Cc1cc(c(c(c1)C=O)F)O 271570a_203496583355_100010161323 [1,1,0,0,0,0|2,0,0]=4 862 B11R1.8 Cc1cc(c(c(c1)C=O)O)O 271570a_203496583355_100000698970 [1,1,0,0,0,0|1,0,0]=3 863 B11R1.8 Cc1cc(c(c(c1)N[13CH3])O)C 34a_100011216242_200025704644 [1,1,0,0,0,0|1,0,1]=4 864 B11R1.8 Cc1cc(c(c(c1)N[13CH3])O)C 7a_100011216242_200025704644 [1,1,0,0,0,0|1,0,1]=4 865 B11R1.8 Cc1cc(c(c(c1)S[13CH3])O)C 62a_100011934984_200025704644 [1,1,0,0,0,0|2,0,0]=4 866 B11R1.8 Cc1cc(c(c(c1)S[13CH3])O)C 62a_200025704644_100011934984 [1,1,0,0,0,0|2,0,0]=4 867 B11R1.8 Cc1cc(c(c(c1)S[13CH3])O)F 62a_200025704644_200135191068 [1,1,0,0,0,0|2,0,0]=4 868 B11R1.8 Cc1cc(c(c(c1)S[13CH3])O)F 62a_200135191068_200025704644 [1,1,0,0,0,0|2,0,0]=4 869 B11R1.8 O=Cc1cc(cc(c1O)F)O 271570a_203496583355_100011217654 [1,1,0,0,0,0|2,0,0]=4 870 B11R1.8 O=Cc1cc(cc(c1O)O)F 271570a_203496583355_100011659637 [1,1,0,0,0,0|2,0,0]=4 871 B11R1.37 C=Cc1cc(ccc1OC)C 271570a_100011290941_100000186399 [1,1,0,0,0,0|2,0,0]=4 872 B11R1.37 C=Cc1ccc(cc1C=O)C 271570a_100011290941_100011551863 [1,1,0,0,0,0|2,0,0]=4 873 B11R1.37 CCc1cc(ccc1OC)C 34a_100009844793_200000210301 [1,1,0,0,0,0|2,0,0]=4 874 B11R1.37 CCc1cc(ccc1OC)C 7a_100009844793_200000210301 [1,1,0,0,0,0|2,0,0]=4 875 B11R1.37 CCc1cc(ccc1O[13CH3])C 34a_100009844793_200025704644 [1,1,0,0,0,0|2,0,0]=4 876 B11R1.37 CCc1cc(ccc1O[13CH3])C 7a_100009844793_200025704644 [1,1,0,0,0,0|2,0,0]=4 877 B11R1.37 CNc1cc(ccc1CO)C 34a_100000087799_200000210301 [1,1,0,0,0,0|1,0,1]=4 878 B11R1.37 CNc1cc(ccc1OC)C 2230a_100000210980_200000210301 [1,1,0,0,0,0|1,0,1]=4 879 B11R1.37 CNc1cc(ccc1OC)C 34a_100000210980_200000210301 [1,1,0,0,0,0|1,0,1]=4 880 B11R1.37 COc1cc(ccc1O[13CH3])C 34a_100000186466_200025704644 [1,1,0,0,0,0|2,0,0]=4 881 B11R1.37 COc1ccc(cc1C#N)C 34a_200012180384_200000210301 [1,1,0,0,0,0|2,0,0]=4 882 B11R1.37 COc1ccc(cc1C#N)C 7a_200012180384_200000210301 [1,1,0,0,0,0|2,0,0]=4 883 B11R1.37 COc1ccc(cc1C=O)O 271570a_203496583355_100000170026 [1,1,0,0,0,0|2,0,0]=4 884 B11R1.37 COc1ccc(cc1CO)C 34a_200011846009_200000210301 [1,1,0,0,0,0|1,0,1]=4 885 B11R1.37 COc1ccc(cc1CO)C 7a_200011846009_200000210301 [1,1,0,0,0,0|1,0,1]=4 886 B11R1.37 COc1ccc(cc1N[13CH3])C 2230a_100000210980_200025704644 [1,1,0,0,0,0|1,0,1]=4 887 B11R1.37 COc1ccc(cc1N[13CH3])C 34a_100000210980_200025704644 [1,1,0,0,0,0|1,0,1]=4 888 B11R1.37 COc1ccc(cc1OC)C 34a_100000186466_200000210301 [1,1,0,0,0,0|2,0,0]=4 889 B11R1.37 COc1ccc(cc1OC)C 34a_100011216497_200000210301 [1,1,0,0,0,0|2,0,0]=4 890 B11R1.37 COc1ccc(cc1OC)C 7a_100011216497_200000210301 [1,1,0,0,0,0|2,0,0]=4 891 B11R1.37 COc1ccc(cc1O[13CH3])C 34a_100011216497_200025704644 [1,1,0,0,0,0|2,0,0]=4 892 B11R1.37 COc1ccc(cc1O[13CH3])C 7a_100011216497_200025704644 [1,1,0,0,0,0|2,0,0]=4 893 B11R1.37 COc1ccc(cc1SC)C 62a_100000186399_200000210301 [1,1,0,0,0,0|2,0,0]=4 894 B11R1.37 COc1ccc(cc1SC)C 62a_200000210301_100000186399 [1,1,0,0,0,0|2,0,0]=4 895 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_100000186399_200025704644 [1,1,0,0,0,0|2,0,0]=4 896 B11R1.37 COc1ccc(cc1S[13CH3])C 62a_200025704644_100000186399 [1,1,0,0,0,0|2,0,0]=4 897 B11R1.37 CSc1ccc(cc1C=O)C 62a_100011551863_200000210301 [1,1,0,0,0,0|1,1,0]=4 898 B11R1.37 CSc1ccc(cc1C=O)C 62a_200000210301_100011551863 [1,1,0,0,0,0|1,1,0]=4 899 B11R1.37 Cc1ccc(c(c1)C#N)O[13CH3] 34a_200012180384_200025704644 [1,1,0,0,0,0|2,0,0]=4 900 B11R1.37 Cc1ccc(c(c1)C#N)O[13CH3] 7a_200012180384_200025704644 [1,1,0,0,0,0|2,0,0]=4 901 B11R1.37 Cc1ccc(c(c1)C=O)S[13CH3] 62a_100011551863_200025704644 [1,1,0,0,0,0|1,1,0]=4 902 B11R1.37 Cc1ccc(c(c1)C=O)S[13CH3] 62a_200025704644_100011551863 [1,1,0,0,0,0|1,1,0]=4 903 B11R1.37 Cc1ccc(c(c1)CO)O[13CH3] 34a_200011846009_200025704644 [1,1,0,0,0,0|1,0,1]=4 904 B11R1.37 Cc1ccc(c(c1)CO)O[13CH3] 7a_200011846009_200025704644 [1,1,0,0,0,0|1,0,1]=4 905 B11R1.37 Cc1ccc(c(c1)N[13CH3])CO 34a_100000087799_200025704644 [1,1,0,0,0,0|1,0,1]=4 906 B11R1.72 COc1c(ccc(c1F)C)O 271570a_203496583355_100010081143 [1,1,0,0,0,0|2,0,0]=4 907 B11R1.72 CSc1c(ccc(c1F)C)O 271570a_203496583355_200134762213 [1,1,0,0,0,0|2,0,0]=4 908 B11R1.72 Cc1ccc(c(c1F)C#N)O 271570a_203496583355_100000062008 [1,1,0,0,0,0|2,0,0]=4 909 B11R1.72 Cc1ccc(c(c1F)C=O)O 271570a_203496583355_100000039034 [1,1,0,0,0,0|1,0,0]=3 910 B11R1.72 Cc1ccc(c(c1O)C=O)F 271570a_203496583355_100000033498 [1,1,0,0,0,0|2,0,0]=4 911 B11R1.72 O=Cc1c(ccc(c1F)F)O 271570a_203496583355_100009814791 [1,1,0,0,0,0|2,0,0]=4 912 B11R1.72 O=Cc1c(ccc(c1O)F)O 271570a_203496583355_100010762561 [1,1,0,0,0,0|2,0,0]=4 913 B11R1.72 O=Cc1c(ccc(c1O)O)O 271570a_203496583355_100010184888 [1,1,0,0,0,0|2,0,0]=4 914 B11R1.182 C=C=Cc1cc(ccc1O)C 271570a_100015277604_100000765521 [1,1,0,0,0,0|2,0,0]=4 915 B11R1.182 CC=Cc1cc(ccc1O)C 271570a_100016259895_100000765521 [1,1,0,0,0,0|2,0,0]=4 916 B11R1.182 CCNc1cc(ccc1O)C 34a_100011215204_100000210202 [1,1,0,0,0,0|1,0,1]=4 917 B11R1.182 CCOc1cc(ccc1O)C 271570a_203496583355_200010713166 [1,1,0,0,0,0|2,0,0]=4 918 B11R1.182 CCSc1cc(ccc1O)C 62a_100000210202_100000765521 [1,1,0,0,0,0|2,0,0]=4 919 B11R1.182 CCSc1cc(ccc1O)C 62a_100000765521_100000210202 [1,1,0,0,0,0|2,0,0]=4 920 B11R1.182 Cc1ccc(c(c1)CC#N)O 271570a_203496583355_100010147026 [1,1,0,0,0,0|2,0,0]=4 921 B11R1.182 Cc1ccc(c(c1)NCF)O 34a_100011215204_100015361967 [1,1,0,0,0,0|1,0,1]=4 922 B11R1.182 Cc1ccc(c(c1)SCF)O 62a_100000765521_100015361967 [1,1,0,0,0,0|2,0,0]=4 923 B11R1.182 Cc1ccc(c(c1)SCF)O 62a_100015361967_100000765521 [1,1,0,0,0,0|2,0,0]=4 924 B11R1.277 C=Cc1cc(c(cc1O)C)C 271570a_100011290941_100009814663 [1,1,0,0,0,0|2,0,0]=4 925 B11R1.277 CNc1cc(c(cc1O)Br)C 34a_200010107346_200000210301 [1,1,0,0,0,0|1,0,1]=4 926 B11R1.277 CNc1cc(c(cc1O)C)C 34a_100133014134_200000210301 [1,1,0,0,0,0|1,0,1]=4 927 B11R1.277 CNc1cc(c(cc1O)C)C 7a_100133014134_200000210301 [1,1,0,0,0,0|1,0,1]=4 928 B11R1.277 CNc1cc(c(cc1O)F)C 34a_100012022779_200000210301 [1,1,0,0,0,0|1,0,1]=4 929 B11R1.277 CNc1cc(c(cc1O)F)C 7a_100012022779_200000210301 [1,1,0,0,0,0|1,0,1]=4 930 B11R1.277 COc1cc(c(cc1O)N)C 271570a_203496583355_106657271712 [1,1,0,0,0,0|2,0,0]=4 931 B11R1.277 CSc1cc(c(cc1O)C)C 62a_100009814663_200000210301 [1,1,0,0,0,0|2,0,0]=4 932 B11R1.277 CSc1cc(c(cc1O)C)C 62a_200000210301_100009814663 [1,1,0,0,0,0|2,0,0]=4 933 B11R1.277 Cc1cc(c(cc1Br)O)N[13CH3] 34a_200010107346_200025704644 [1,1,0,0,0,0|1,0,1]=4 934 B11R1.277 Cc1cc(c(cc1C)C=O)O 271570a_203496583355_100010184403 [1,1,0,0,0,0|1,0,0]=3 935 B11R1.277 Cc1cc(c(cc1C)CO)O 271570a_203496583355_100010184405 [1,1,0,0,0,0|1,0,1]=4 936 B11R1.277 Cc1cc(c(cc1C)N[13CH3])O 34a_100133014134_200025704644 [1,1,0,0,0,0|1,0,1]=4 937 B11R1.277 Cc1cc(c(cc1C)N[13CH3])O 7a_100133014134_200025704644 [1,1,0,0,0,0|1,0,1]=4 938 B11R1.277 Cc1cc(c(cc1C)S[13CH3])O 62a_100009814663_200025704644 [1,1,0,0,0,0|2,0,0]=4 939 B11R1.277 Cc1cc(c(cc1C)S[13CH3])O 62a_200025704644_100009814663 [1,1,0,0,0,0|2,0,0]=4 940 B11R1.277 Cc1cc(c(cc1F)C=O)O 271570a_203496583355_100010186290 [1,1,0,0,0,0|2,0,0]=4 941 B11R1.277 Cc1cc(c(cc1F)O)C#N 271570a_203496583355_100009816884 [1,1,0,0,0,0|2,0,0]=4 942 B11R1.277 Cc1cc(c(cc1F)O)C=O 271570a_203496583355_100009814814 [1,1,0,0,0,0|1,0,0]=3 943 B11R1.277 Cc1cc(c(cc1F)O)N[13CH3] 34a_100012022779_200025704644 [1,1,0,0,0,0|1,0,1]=4 944 B11R1.277 Cc1cc(c(cc1F)O)N[13CH3] 7a_100012022779_200025704644 [1,1,0,0,0,0|1,0,1]=4 945 B11R1.277 Cc1cc(c(cc1O)C)C=O 271570a_203496583355_100012024176 [1,1,0,0,0,0|2,0,0]=4 946 B11R1.277 Cc1cc(c(cc1O)C=O)O 271570a_203496583355_100010186689 [1,1,0,0,0,0|2,0,0]=4 947 B11R1.277 Cc1cc(c(cc1O)F)C=O 271570a_203496583355_100010186291 [1,1,0,0,0,0|2,0,0]=4 948 B11R1.277 Cc1cc(c(cc1O)O)C=O 271570a_203496583355_200010762526 [1,1,0,0,0,0|1,0,0]=3 949 B11R1.277 O=Cc1cc(c(cc1O)F)F 271570a_203496583355_100012344232 [1,1,0,0,0,0|2,0,0]=4 950 B11R1.277 O=Cc1cc(c(cc1O)F)O 271570a_203496583355_100010175118 [1,1,0,0,0,0|2,0,0]=4 951 B11R1.277 O=Cc1cc(c(cc1O)O)F 271570a_203496583355_200010762562 [1,1,0,0,0,0|2,0,0]=4 952 B11R1.277 O=Cc1cc(c(cc1O)O)O 271570a_203496583355_100010888506 [1,1,0,0,0,0|2,0,0]=4 953 B11R1.277 O=Cc1cc(c(cc1O)O)O 271570a_203496583355_200010132312 [1,1,0,0,0,0|2,0,0]=4 954 B11R1.280 C=Cc1cc(ccc1O)CC 271570a_100011290941_100012339963 [1,1,0,0,0,0|2,0,0]=4 955 B11R1.280 C=Cc1cc(ccc1O)CO 271570a_100011290941_100011191544 [1,1,0,0,0,0|2,0,0]=4 956 B11R1.280 C=Cc1cc(ccc1O)OC 271570a_100011290941_100000685887 [1,1,0,0,0,0|2,0,0]=4 957 B11R1.280 C=Cc1ccc(c(c1)C=O)O 271570a_100011290941_100000186750 [1,1,0,0,0,0|1,0,1]=4 958 B11R1.280 CCc1cc(ccc1O)OC 271570a_203496583355_100000720562 [1,1,0,0,0,0|2,0,0]=4 959 B11R1.280 CCc1cc(ccc1O)SC 62a_200000210301_100012338938 [1,1,0,0,0,0|2,0,0]=4 960 B11R1.280 CCc1cc(ccc1O)S[13CH3] 62a_200025704644_100012338938 [1,1,0,0,0,0|2,0,0]=4 961 B11R1.280 CCc1ccc(c(c1)NC)O 34a_100000765835_200000210301 [1,1,0,0,0,0|1,0,1]=4 962 B11R1.280 CCc1ccc(c(c1)N[13CH3])O 34a_100000765835_200025704644 [1,1,0,0,0,0|1,0,1]=4 963 B11R1.280 CCc1ccc(c(c1)OC)O 271570a_203496583355_200010710389 [1,1,0,0,0,0|2,0,0]=4 964 B11R1.280 CCc1ccc(c(c1)SC)O 62a_100012339963_200000210301 [1,1,0,0,0,0|2,0,0]=4 965 B11R1.280 CCc1ccc(c(c1)SC)O 62a_200000210301_100012339963 [1,1,0,0,0,0|2,0,0]=4 966 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_100012339963_200025704644 [1,1,0,0,0,0|2,0,0]=4 967 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_200025704644_100012339963 [1,1,0,0,0,0|2,0,0]=4 968 B11R1.280 CNc1cc(ccc1O)CO 34a_100000123545_200000210301 [1,1,0,0,0,0|1,0,1]=4 969 B11R1.280 CNc1cc(ccc1O)OC 34a_100000188146_200000210301 [1,1,0,0,0,0|1,0,1]=4 970 B11R1.280 CNc1ccc(c(c1)C#N)O 34a_100011249283_200000210301 [1,1,0,0,0,0|2,0,0]=4 971 B11R1.280 CNc1ccc(c(c1)OC)O 34a_100000726020_200000210301 [1,1,0,0,0,0|2,0,0]=4 972 B11R1.280 COc1cc(c(cn1)O)C=O 271570a_203496583355_100010171658 [1,1,0,0,0,0|2,0,0]=4 973 B11R1.280 COc1cc(ccc1O)CO 271570a_203496583355_100010234685 [1,1,0,0,0,0|2,0,0]=4 974 B11R1.280 COc1cc(ccc1O)N[13CH3] 34a_100000726020_200025704644 [1,1,0,0,0,0|2,0,0]=4 975 B11R1.280 COc1cc(ccc1O)SC 62a_200000210301_100000694246 [1,1,0,0,0,0|2,0,0]=4 976 B11R1.280 COc1cc(ccc1O)S[13CH3] 62a_200025704644_100000694246 [1,1,0,0,0,0|2,0,0]=4 977 B11R1.280 COc1ccc(c(c1)C#N)O 271570a_203496583355_100000748272 [1,1,0,0,0,0|2,0,0]=4 978 B11R1.280 COc1ccc(c(c1)C=O)O 271570a_203496583355_100000691568 [1,1,0,0,0,0|1,0,0]=3 979 B11R1.280 COc1ccc(c(c1)CN)O 271570a_203496583355_100000741592 [1,1,0,0,0,0|2,0,0]=4 980 B11R1.280 COc1ccc(c(c1)CO)O 271570a_203496583355_200011273942 [1,1,0,0,0,0|1,0,1]=4 981 B11R1.280 COc1ccc(c(c1)N[13CH3])O 34a_100000188146_200025704644 [1,1,0,0,0,0|1,0,1]=4 982 B11R1.280 COc1ccc(c(c1)OC)O 271570a_203496583355_100000750026 [1,1,0,0,0,0|2,0,0]=4 983 B11R1.280 COc1ccc(c(c1)SC)O 62a_200000210301_100000685887 [1,1,0,0,0,0|2,0,0]=4 984 B11R1.280 COc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000685887 [1,1,0,0,0,0|2,0,0]=4 985 B11R1.280 COc1ccc(c(n1)C=O)O 271570a_203496583355_200010173843 [1,1,0,0,0,0|2,0,0]=4 986 B11R1.280 CSc1cc(c(cn1)O)C=O 62a_200000210301_100000048449 [1,1,0,0,0,0|2,0,0]=4 987 B11R1.280 CSc1cc(ccc1O)CO 62a_100011191544_200000210301 [1,1,0,0,0,0|2,0,0]=4 988 B11R1.280 CSc1cc(ccc1O)CO 62a_200000210301_100011191544 [1,1,0,0,0,0|2,0,0]=4 989 B11R1.280 CSc1ccc(c(c1)C#N)O 62a_200000210301_100000687585 [1,1,0,0,0,0|2,0,0]=4 990 B11R1.280 CSc1ccc(c(c1)C=O)Br 62a_100010185652_200000210301 [1,1,0,0,0,0|2,0,0]=4 991 B11R1.280 CSc1ccc(c(c1)C=O)Br 62a_200000210301_100010185652 [1,1,0,0,0,0|2,0,0]=4 992 B11R1.280 CSc1ccc(c(c1)C=O)C 62a_100011361606_200000210301 [1,1,0,0,0,0|2,0,0]=4 993 B11R1.280 CSc1ccc(c(c1)C=O)C 62a_200000210301_100011361606 [1,1,0,0,0,0|2,0,0]=4 994 B11R1.280 CSc1ccc(c(c1)C=O)Cl 62a_100010254384_200000210301 [1,1,0,0,0,0|2,0,0]=4 995 B11R1.280 CSc1ccc(c(c1)C=O)Cl 62a_200000210301_100010254384 [1,1,0,0,0,0|2,0,0]=4 996 B11R1.280 CSc1ccc(c(c1)C=O)F 62a_100000050626_200000210301 [1,1,0,0,0,0|2,0,0]=4 997 B11R1.280 CSc1ccc(c(c1)C=O)F 62a_200000210301_100000050626 [1,1,0,0,0,0|2,0,0]=4 998 B11R1.280 CSc1ccc(c(c1)C=O)N 62a_100011935258_200000210301 [1,1,0,0,0,0|2,0,0]=4 999 B11R1.280 CSc1ccc(c(c1)C=O)O 62a_200000210301_100000186750 [1,1,0,0,0,0|1,0,0]=3 1000 B11R1.280 CSc1ccc(c(c1)CN)O 62a_100000730032_200000210301 [1,1,0,0,0,0|2,0,0]=4 1001 B11R1.280 CSc1ccc(c(c1)CN)O 62a_200000210301_100000730032 [1,1,0,0,0,0|2,0,0]=4 1002 B11R1.280 CSc1ccc(c(c1)CO)O 62a_100000184703_200000210301 [1,1,0,0,0,0|1,0,1]=4 1003 B11R1.280 CSc1ccc(c(c1)CO)O 62a_200000210301_100000184703 [1,1,0,0,0,0|1,0,1]=4 1004 B11R1.280 CSc1cnc(c(c1)C=O)O 62a_100010064889_200000210301 [1,1,0,0,0,0|2,0,0]=4 1005 B11R1.280 CSc1cnc(c(c1)C=O)O 62a_200000210301_100010064889 [1,1,0,0,0,0|2,0,0]=4 1006 B11R1.280 Cc1ccc(cc1C=O)S[13CH3] 62a_100011361606_200025704644 [1,1,0,0,0,0|2,0,0]=4 1007 B11R1.280 Cc1ccc(cc1C=O)S[13CH3] 62a_200025704644_100011361606 [1,1,0,0,0,0|2,0,0]=4 1008 B11R1.280 N#Cc1cc(ccc1O)CN 271570a_203496583355_100009846983 [1,1,0,0,0,0|2,0,0]=4 1009 B11R1.280 N#Cc1cc(ccc1O)CO 271570a_203496583355_100010145894 [1,1,0,0,0,0|2,0,0]=4 1010 B11R1.280 N#Cc1ccc(c(c1)C=O)O 271570a_203496583355_100012179093 [1,1,0,0,0,0|1,0,1]=4 1011 B11R1.280 [13CH3]Nc1cc(ccc1O)CO 34a_100000123545_200025704644 [1,1,0,0,0,0|1,0,1]=4 1012 B11R1.280 [13CH3]Nc1ccc(c(c1)C#N)O 34a_100011249283_200025704644 [1,1,0,0,0,0|2,0,0]=4 1013 B11R1.280 [13CH3]Sc1cc(c(cn1)O)C=O 62a_200025704644_100000048449 [1,1,0,0,0,0|2,0,0]=4 1014 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_100011191544_200025704644 [1,1,0,0,0,0|2,0,0]=4 1015 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_200025704644_100011191544 [1,1,0,0,0,0|2,0,0]=4 1016 B11R1.280 [13CH3]Sc1ccc(c(c1)C#N)O 62a_200025704644_100000687585 [1,1,0,0,0,0|2,0,0]=4 1017 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)Br 62a_100010185652_200025704644 [1,1,0,0,0,0|2,0,0]=4 1018 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)Br 62a_200025704644_100010185652 [1,1,0,0,0,0|2,0,0]=4 1019 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)Cl 62a_100010254384_200025704644 [1,1,0,0,0,0|2,0,0]=4 1020 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)Cl 62a_200025704644_100010254384 [1,1,0,0,0,0|2,0,0]=4 1021 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)F 62a_100000050626_200025704644 [1,1,0,0,0,0|2,0,0]=4 1022 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)F 62a_200025704644_100000050626 [1,1,0,0,0,0|2,0,0]=4 1023 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)N 62a_100011935258_200025704644 [1,1,0,0,0,0|2,0,0]=4 1024 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)O 62a_200025704644_100000186750 [1,1,0,0,0,0|1,0,0]=3 1025 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)O 62a_100000730032_200025704644 [1,1,0,0,0,0|2,0,0]=4 1026 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)O 62a_200025704644_100000730032 [1,1,0,0,0,0|2,0,0]=4 1027 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_100000184703_200025704644 [1,1,0,0,0,0|1,0,1]=4 1028 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_200025704644_100000184703 [1,1,0,0,0,0|1,0,1]=4 1029 B11R1.280 [13CH3]Sc1cnc(c(c1)C=O)O 62a_100010064889_200025704644 [1,1,0,0,0,0|2,0,0]=4 1030 B11R1.280 [13CH3]Sc1cnc(c(c1)C=O)O 62a_200025704644_100010064889 [1,1,0,0,0,0|2,0,0]=4 1031 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [1,1,0,0,0,0|2,0,0]=4 1032 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [1,1,0,0,0,0|2,0,0]=4 1033 B11R1.53 COc1ccccc1C(=O)N 34a_100000192804_200000210301 [1,1,0,0,0,0|2,0,0]=4 1034 B11R1.53 COc1ccccc1C(=O)N 7a_100000192804_200000210301 [1,1,0,0,0,0|2,0,0]=4 1035 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [1,1,0,0,0,0|2,0,0]=4 1036 B11R1.53 COc1ccccc1C(=O)[O-] 7a_100015234032_200000210301 [1,1,0,0,0,0|1,0,0]=3 1037 B11R1.53 COc1ccccc1[N+](=O)[O-] 34a_100000186319_200000210301 [1,1,0,0,0,0|0,0,0]=2 1038 B11R1.53 COc1ccccc1[N+](=O)[O-] 7a_100000186319_200000210301 [1,1,0,0,0,0|0,0,0]=2 1039 B11R1.53 COc1cccnc1[N+](=O)[O-] 7a_100000183951_200000210301 [1,1,0,0,0,0|1,0,0]=3 1040 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [1,1,0,0,0,0|2,0,0]=4 1041 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 34a_100000192804_200025704644 [1,1,0,0,0,0|2,0,0]=4 1042 B11R1.53 [13CH3]Oc1ccccc1C(=O)N 7a_100000192804_200025704644 [1,1,0,0,0,0|2,0,0]=4 1043 B11R1.53 [13CH3]Oc1ccccc1C(=O)[O-] 7a_100015234032_200025704644 [1,1,0,0,0,0|1,0,0]=3 1044 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 34a_100000186319_200025704644 [1,1,0,0,0,0|0,0,0]=2 1045 B11R1.53 [13CH3]Oc1ccccc1[N+](=O)[O-] 7a_100000186319_200025704644 [1,1,0,0,0,0|0,0,0]=2 1046 B11R1.53 [13CH3]Oc1cccnc1[N+](=O)[O-] 7a_100000183951_200025704644 [1,1,0,0,0,0|1,0,0]=3 1047 B11R1.87 CS(=O)(=O)c1ccccc1O 271570a_203496583355_100000751929 [1,1,0,0,0,0|1,0,1]=4 1048 B11R1.87 NS(=O)(=O)c1ccccc1O 271570a_203496583355_100000735520 [1,1,0,0,0,0|1,0,1]=4 1049 B11R1.156 CC(=O)c1c(cccc1Br)O 1458a_100011935254_200000210301 [1,1,0,0,0,0|2,0,0]=4 1050 B11R1.156 CC(=O)c1c(cccc1Cl)O 1458a_100000745519_200000210301 [1,1,0,0,0,0|2,0,0]=4 1051 B11R1.156 CC(=O)c1c(cccc1F)O 1458a_100000763259_200000210301 [1,1,0,0,0,0|2,0,0]=4 1052 B11R1.156 CC(=O)c1c(cccc1F)O 271570a_203496583355_100012351873 [1,1,0,0,0,0|2,0,0]=4 1053 B11R1.156 CC(=O)c1c(cccc1O)C 1458a_100011934116_200000210301 [1,1,0,0,0,0|2,0,0]=4 1054 B11R1.156 CC(=O)c1c(cccc1O)O 1458a_100000755285_200000210301 [1,1,0,0,0,0|2,0,0]=4 1055 B11R1.156 CC(=O)c1c(cccc1O)O 271570a_203496583355_100010174959 [1,1,0,0,0,0|2,0,0]=4 1056 B11R1.156 Cc1cccc(c1C(=O)[13CH3])O 1458a_100011934116_200025704644 [1,1,0,0,0,0|2,0,0]=4 1057 B11R1.156 NC(=O)c1c(cccc1Cl)O 271570a_203496583355_100010147686 [1,1,0,0,0,0|2,0,0]=4 1058 B11R1.156 NC(=O)c1c(cccc1F)O 271570a_203496583355_100011219063 [1,1,0,0,0,0|2,0,0]=4 1059 B11R1.156 [13CH3]C(=O)c1c(cccc1Br)O 1458a_100011935254_200025704644 [1,1,0,0,0,0|2,0,0]=4 1060 B11R1.156 [13CH3]C(=O)c1c(cccc1Cl)O 1458a_100000745519_200025704644 [1,1,0,0,0,0|2,0,0]=4 1061 B11R1.156 [13CH3]C(=O)c1c(cccc1F)O 1458a_100000763259_200025704644 [1,1,0,0,0,0|2,0,0]=4 1062 B11R1.156 [13CH3]C(=O)c1c(cccc1O)O 1458a_100000755285_200025704644 [1,1,0,0,0,0|2,0,0]=4 1063 B11R1.159 CC(=O)c1cccc(c1O)Br 1458a_100000752940_200000210301 [1,1,0,0,0,0|2,0,0]=4 1064 B11R1.159 CC(=O)c1cccc(c1O)C 1458a_100000183896_200000210301 [1,1,0,0,0,0|2,0,0]=4 1065 B11R1.159 CC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000210301 [1,1,0,0,0,0|2,0,0]=4 1066 B11R1.159 CC(=O)c1cccc(c1O)F 1458a_100011217230_200000210301 [1,1,0,0,0,0|2,0,0]=4 1067 B11R1.159 CC(=O)c1cccc(c1O)F 271570a_203496583355_100012362612 [1,1,0,0,0,0|2,0,0]=4 1068 B11R1.159 CC(=O)c1cccc(c1O)O 1458a_100000690420_200000210301 [1,1,0,0,0,0|2,0,0]=4 1069 B11R1.159 CC(=O)c1cccc(c1O)O 271570a_203496583355_100009815558 [1,1,0,0,0,0|2,0,0]=4 1070 B11R1.159 Cc1cccc(c1O)C(=O)N 271570a_203496583355_200011409216 [1,1,0,0,0,0|2,0,0]=4 1071 B11R1.159 Cc1cccc(c1O)C(=O)[13CH3] 1458a_100000183896_200025704644 [1,1,0,0,0,0|2,0,0]=4 1072 B11R1.159 NC(=O)c1cccc(c1O)F 271570a_203496583355_200012351544 [1,1,0,0,0,0|2,0,0]=4 1073 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Br 1458a_100000752940_200025704644 [1,1,0,0,0,0|2,0,0]=4 1074 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Cl 1458a_100000742801_200025704644 [1,1,0,0,0,0|2,0,0]=4 1075 B11R1.159 [13CH3]C(=O)c1cccc(c1O)F 1458a_100011217230_200025704644 [1,1,0,0,0,0|2,0,0]=4 1076 B11R1.159 [13CH3]C(=O)c1cccc(c1O)O 1458a_100000690420_200025704644 [1,1,0,0,0,0|2,0,0]=4 1077 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [1,1,0,0,0,0|2,0,0]=4 1078 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [1,1,0,0,0,0|2,0,0]=4 1079 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [1,1,0,0,0,0|2,0,0]=4 1080 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [1,1,0,0,0,0|2,0,0]=4 1081 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [1,1,0,0,0,0|2,0,0]=4 1082 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [1,1,0,0,0,0|2,0,0]=4 1083 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [1,1,0,0,0,0|2,0,0]=4 1084 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [1,1,0,0,0,0|2,0,0]=4 1085 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [1,1,0,0,0,0|2,0,0]=4 1086 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [1,1,0,0,0,0|2,0,0]=4 1087 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [1,1,0,0,0,0|2,0,0]=4 1088 B11R1.166 NC(=O)c1ccc(cc1O)Br 271570a_203496583355_100009815748 [1,1,0,0,0,0|2,0,0]=4 1089 B11R1.166 NC(=O)c1ccc(cc1O)F 271570a_203496583355_100000206404 [1,1,0,0,0,0|2,0,0]=4 1090 B11R1.166 NC(=O)c1ccc(cc1O)O 271570a_203496583355_100011550861 [1,1,0,0,0,0|2,0,0]=4 1091 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [1,1,0,0,0,0|2,0,0]=4 1092 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [1,1,0,0,0,0|2,0,0]=4 1093 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [1,1,0,0,0,0|2,0,0]=4 1094 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [1,1,0,0,0,0|2,0,0]=4 1095 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [1,1,0,0,0,0|2,0,0]=4 1096 B11R1.222 CCC(=O)c1ccccc1O 1458a_100015234032_100000210202 [1,1,0,0,0,0|2,0,0]=4 1097 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [1,1,0,0,0,0|2,0,0]=4 1098 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [1,1,0,0,0,0|2,0,0]=4 1099 B11R1.222 COC(=O)c1ccccc1O 271570a_203496583355_100000148710 [1,1,0,0,0,0|1,0,1]=4 1100 B11R1.222 NNC(=O)c1ccccc1O 271570a_203496583355_100000190081 [1,1,0,0,0,0|2,0,0]=4 1101 B11R1.222 O=C(CF)c1ccccc1O 1458a_100015234032_100015361967 [1,1,0,0,0,0|2,0,0]=4 1102 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [1,1,0,0,0,0|2,0,0]=4 1103 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [1,1,0,0,0,0|2,0,0]=4 1104 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [1,1,0,0,0,0|2,0,0]=4 1105 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [1,1,0,0,0,0|2,0,0]=4 1106 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [1,1,0,0,0,0|2,0,0]=4 1107 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [1,1,0,0,0,0|2,0,0]=4 1108 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [1,1,0,0,0,0|2,0,0]=4 1109 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [1,1,0,0,0,0|2,0,0]=4 1110 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [1,1,0,0,0,0|2,0,0]=4 1111 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [1,1,0,0,0,0|2,0,0]=4 1112 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [1,1,0,0,0,0|2,0,0]=4 1113 B11R1.21 Cc1cc(ccc1O)C(=O)N 271570a_203496583355_100011218126 [1,1,0,0,0,0|2,0,0]=4 1114 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [1,1,0,0,0,0|2,0,0]=4 1115 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [1,1,0,0,0,0|2,0,0]=4 1116 B11R1.23 CCC(=O)c1cccc(c1)C 1458a_100000189346_100000210202 [1,1,0,0,0,0|2,0,0]=4 1117 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [1,1,0,0,0,0|2,0,0]=4 1118 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [1,1,0,0,0,0|2,0,0]=4 1119 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [1,1,0,0,0,0|2,0,0]=4 1120 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [1,1,0,0,0,0|2,0,0]=4 1121 B11R1.23 Cc1cccc(c1)C(=O)CF 1458a_100000189346_100015361967 [1,1,0,0,0,0|2,0,0]=4 1122 B11R1.74 CC(=O)c1cc(cc(c1)Br)C 1458a_100000760426_200000210301 [1,1,0,0,0,0|2,0,0]=4 1123 B11R1.74 CC(=O)c1cc(cc(c1)C)C 1458a_100000210874_200000210301 [1,1,0,0,0,0|2,0,0]=4 1124 B11R1.74 CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_200000210301 [1,1,0,0,0,0|2,0,0]=4 1125 B11R1.74 CC(=O)c1cc(cc(c1)F)C 1458a_100000763163_200000210301 [1,1,0,0,0,0|2,0,0]=4 1126 B11R1.74 CC(=O)c1cc(cc(c1)I)C 1458a_100000729426_200000210301 [1,1,0,0,0,0|2,0,0]=4 1127 B11R1.74 CC(=O)c1cc(cc(c1)O)C 1458a_100000094094_200000210301 [1,1,0,0,0,0|2,0,0]=4 1128 B11R1.74 CC(=O)c1cc(cc(c1)O)C 271570a_203496583355_100000694479 [1,1,0,0,0,0|2,0,0]=4 1129 B11R1.74 Cc1cc(cc(c1)C(=O)N)O 271570a_203496583355_200012348365 [1,1,0,0,0,0|2,0,0]=4 1130 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100000760426_200025704644 [1,1,0,0,0,0|2,0,0]=4 1131 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000210874_200025704644 [1,1,0,0,0,0|2,0,0]=4 1132 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000684526_200025704644 [1,1,0,0,0,0|2,0,0]=4 1133 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])F 1458a_100000763163_200025704644 [1,1,0,0,0,0|2,0,0]=4 1134 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])I 1458a_100000729426_200025704644 [1,1,0,0,0,0|2,0,0]=4 1135 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000094094_200025704644 [1,1,0,0,0,0|2,0,0]=4 1136 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [1,1,0,0,0,0|2,0,0]=4 1137 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [1,1,0,0,0,0|2,0,0]=4 1138 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [1,1,0,0,0,0|2,0,0]=4 1139 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [1,1,0,0,0,0|2,0,0]=4 1140 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [1,1,0,0,0,0|2,0,0]=4 1141 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [1,1,0,0,0,0|2,0,0]=4 1142 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [1,1,0,0,0,0|2,0,0]=4 1143 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [1,1,0,0,0,0|2,0,0]=4 1144 B11R1.266 CNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200000210301 [1,1,0,0,0,0|0,0,0]=2 1145 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [1,1,0,0,0,0|2,0,0]=4 1146 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [1,1,0,0,0,0|2,0,0]=4 1147 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [1,1,0,0,0,0|2,0,0]=4 1148 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [1,1,0,0,0,0|2,0,0]=4 1149 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [1,1,0,0,0,0|2,0,0]=4 1150 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [1,1,0,0,0,0|2,0,0]=4 1151 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200000210301 [1,1,0,0,0,0|0,0,0]=2 1152 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200000210301 [1,1,0,0,0,0|0,0,0]=2 1153 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200000210301 [1,1,0,0,0,0|1,0,0]=3 1154 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200000210301 [1,1,0,0,0,0|1,0,0]=3 1155 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_100009816267_200025704644 [1,1,0,0,0,0|2,0,0]=4 1156 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100009816267 [1,1,0,0,0,0|2,0,0]=4 1157 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [1,1,0,0,0,0|2,0,0]=4 1158 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [1,1,0,0,0,0|2,0,0]=4 1159 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [1,1,0,0,0,0|2,0,0]=4 1160 B11R1.266 CSc1cccc(c1)C(=O)N 62a_100000162208_200000210301 [1,1,0,0,0,0|2,0,0]=4 1161 B11R1.266 CSc1cccc(c1)C(=O)N 62a_200000210301_100000162208 [1,1,0,0,0,0|2,0,0]=4 1162 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [1,1,0,0,0,0|2,0,0]=4 1163 B11R1.266 CSc1cccc(c1)S(=O)C 62a_100009816267_200000210301 [1,1,0,0,0,0|2,0,0]=4 1164 B11R1.266 CSc1cccc(c1)S(=O)C 62a_200000210301_100009816267 [1,1,0,0,0,0|2,0,0]=4 1165 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [1,1,0,0,0,0|2,0,0]=4 1166 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [1,1,0,0,0,0|2,0,0]=4 1167 B11R1.266 [13CH3]Nc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200025704644 [1,1,0,0,0,0|0,0,0]=2 1168 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [1,1,0,0,0,0|2,0,0]=4 1169 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [1,1,0,0,0,0|2,0,0]=4 1170 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200025704644 [1,1,0,0,0,0|0,0,0]=2 1171 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200025704644 [1,1,0,0,0,0|0,0,0]=2 1172 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200025704644 [1,1,0,0,0,0|1,0,0]=3 1173 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200025704644 [1,1,0,0,0,0|1,0,0]=3 1174 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_100000162208_200025704644 [1,1,0,0,0,0|2,0,0]=4 1175 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_200025704644_100000162208 [1,1,0,0,0,0|2,0,0]=4 1176 B13R1.97 CC(=O)Cc1cc(ccc1O)S[13CH3] 62a_200010006938_200025704644 [0,1,0,0,0,1|2,0,0]=4 1177 B13R1.97 CC(=O)Cc1cc(ccc1O)S[13CH3] 62a_200025704644_200010006938 [0,1,0,0,0,1|2,0,0]=4 1178 B13R1.97 CC(=O)Nc1cc(ccc1O)CO 22a_100000123545_100000070787 [0,1,0,0,0,1|2,0,0]=4 1179 B13R1.97 CC(=O)Nc1cc(ccc1O)CO 527a_100000123545_100103153847 [0,1,0,0,0,1|2,0,0]=4 1180 B13R1.97 CC(=O)Nc1cc(ccc1O)N[13CH3] 34a_100000070259_200025704644 [0,1,0,0,0,1|2,0,0]=4 1181 B13R1.97 CC(=O)Nc1cc(ccc1O)N[13CH3] 7a_100000070259_200025704644 [0,1,0,0,0,1|2,0,0]=4 1182 B13R1.97 CCc1ccc(c(c1)NC(=O)C)O 22a_100000765835_100000070787 [0,1,0,0,0,1|2,0,0]=4 1183 B13R1.97 CCc1ccc(c(c1)NC(=O)C)O 527a_100000765835_100103153847 [0,1,0,0,0,1|2,0,0]=4 1184 B13R1.97 CNc1ccc(c(c1)NC(=O)C)O 34a_100000070259_200000210301 [0,1,0,0,0,1|2,0,0]=4 1185 B13R1.97 CNc1ccc(c(c1)NC(=O)C)O 7a_100000070259_200000210301 [0,1,0,0,0,1|2,0,0]=4 1186 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 22a_100000188146_100000070787 [0,1,0,0,0,1|2,0,0]=4 1187 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 271570a_203496583355_100011665069 [0,1,0,0,0,1|2,0,0]=4 1188 B13R1.97 COc1ccc(c(c1)NC(=O)C)O 527a_100000188146_100103153847 [0,1,0,0,0,1|2,0,0]=4 1189 B13R1.97 CSc1ccc(c(c1)CC(=O)C)O 62a_200000210301_200010006938 [0,1,0,0,0,1|2,0,0]=4 1190 B13R1.97 CSc1ccc(c(c1)CC(=O)C)O 62a_200010006938_200000210301 [0,1,0,0,0,1|2,0,0]=4 1191 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)C 22a_200010107346_100000070787 [0,1,0,0,0,1|2,0,0]=4 1192 B13R1.876 CC(=O)Nc1cc(c(cc1O)Br)C 527a_200010107346_100103153847 [0,1,0,0,0,1|2,0,0]=4 1193 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)C 22a_100133014134_100000070787 [0,1,0,0,0,1|2,0,0]=4 1194 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)C 271570a_203496583355_100010006330 [0,1,0,0,0,1|2,0,0]=4 1195 B13R1.876 CC(=O)Nc1cc(c(cc1O)C)C 527a_100133014134_100103153847 [0,1,0,0,0,1|2,0,0]=4 1196 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)C 22a_100012022779_100000070787 [0,1,0,0,0,1|2,0,0]=4 1197 B13R1.876 CC(=O)Nc1cc(c(cc1O)F)C 527a_100012022779_100103153847 [0,1,0,0,0,1|2,0,0]=4 1198 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)C 11a_100011216242_100015343762 [0,1,0,0,0,1|2,0,0]=4 1199 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)C 22a_100011216242_100000070787 [0,1,0,0,0,1|2,0,0]=4 1200 B13R1.2816 CC(=O)Nc1cc(cc(c1O)C)C 527a_100011216242_100103153847 [0,1,0,0,0,1|2,0,0]=4 1201 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000185746 [0,1,0,0,0,1|2,0,0]=4 1202 B13R1.2872 CCC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000210414 [0,1,0,0,0,1|2,0,0]=4 1203 B13R1.2872 CCC(=O)Nc1cc(ccc1O)C 527a_100011215204_100000210414 [0,1,0,0,0,1|2,0,0]=4 1204 B13R1.2872 CNC(=O)Nc1cc(ccc1O)C 2430a_100011215204_100102657272 [0,1,0,0,0,1|2,0,0]=4 1205 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)O 22a_100011215204_100000210174 [0,1,0,0,0,1|1,0,1]=4 1206 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)O 527a_100011215204_100000210174 [0,1,0,0,0,1|1,0,1]=4 1207 B13R1.3089 CC(=O)Nc1cc(ccc1CO)C 22a_100000087799_100000070787 [0,1,0,0,0,1|2,0,0]=4 1208 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])C 34a_100000035807_200025704644 [0,1,0,0,0,1|2,0,0]=4 1209 B13R1.3089 CC(=O)Nc1cc(ccc1O[13CH3])C 7a_100000035807_200025704644 [0,1,0,0,0,1|2,0,0]=4 1210 B13R1.3089 COc1ccc(cc1CC(=O)C)C 1458a_100000070787_100000199068 [0,1,0,0,0,1|2,0,0]=4 1211 B13R1.3089 COc1ccc(cc1CC(=O)C)C 1458a_100000204598_200000210301 [0,1,0,0,0,1|2,0,0]=4 1212 B13R1.3089 COc1ccc(cc1CC(=O)[13CH3])C 1458a_100000204598_200025704644 [0,1,0,0,0,1|2,0,0]=4 1213 B13R1.3089 COc1ccc(cc1NC(=O)C)C 11a_100000210980_100015343762 [0,1,0,0,0,1|2,0,0]=4 1214 B13R1.3089 COc1ccc(cc1NC(=O)C)C 1626a_100000210980_100015343762 [0,1,0,0,0,1|2,0,0]=4 1215 B13R1.3089 COc1ccc(cc1NC(=O)C)C 22a_100000210980_100000070787 [0,1,0,0,0,1|2,0,0]=4 1216 B13R1.3089 COc1ccc(cc1NC(=O)C)C 34a_100000035807_200000210301 [0,1,0,0,0,1|2,0,0]=4 1217 B13R1.3089 COc1ccc(cc1NC(=O)C)C 527a_100000210980_100103153847 [0,1,0,0,0,1|2,0,0]=4 1218 B13R1.3089 COc1ccc(cc1NC(=O)C)C 7a_100000035807_200000210301 [0,1,0,0,0,1|2,0,0]=4 1219 B13R1.141 CC(=O)c1cc(ccc1OCF)C 34a_100000195442_100015361967 [0,2,0,0,0,0|2,0,0]=4 1220 B13R1.141 CC(=O)c1cc(ccc1OCF)C 7a_100000195442_100015361967 [0,2,0,0,0,0|2,0,0]=4 1221 B13R1.141 CCNc1ccc(cc1[N+](=O)[O-])F 34a_100000187532_100000210202 [0,2,0,0,0,0|2,0,0]=4 1222 B13R1.141 CCOc1cc[n+](cc1[N+](=O)[O-])[O-] 7a_100000047301_100000210202 [0,2,0,0,0,0|2,0,0]=4 1223 B13R1.141 CCOc1ccc(cc1C(=O)C)C 34a_100000195442_100000210202 [0,2,0,0,0,0|2,0,0]=4 1224 B13R1.141 CCOc1ccc(cc1C(=O)C)C 7a_100000195442_100000210202 [0,2,0,0,0,0|2,0,0]=4 1225 B13R1.141 CCOc1ccc(cc1C(=O)N)C 34a_200000192840_100000210202 [0,2,0,0,0,0|2,0,0]=4 1226 B13R1.141 CCOc1ccc(cc1C(=O)N)C 7a_200000192840_100000210202 [0,2,0,0,0,0|2,0,0]=4 1227 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])Br 34a_100000757407_100000210202 [0,2,0,0,0,0|1,0,0]=3 1228 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])Br 7a_100000757407_100000210202 [0,2,0,0,0,0|1,0,0]=3 1229 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])C 34a_100000195567_100000210202 [0,2,0,0,0,0|0,0,0]=2 1230 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])C 7a_100000195567_100000210202 [0,2,0,0,0,0|0,0,0]=2 1231 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])Cl 34a_100000212152_100000210202 [0,2,0,0,0,0|1,0,0]=3 1232 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])Cl 7a_100000212152_100000210202 [0,2,0,0,0,0|1,0,0]=3 1233 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])F 34a_100000748789_100000210202 [0,2,0,0,0,0|1,0,0]=3 1234 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])F 7a_100000748789_100000210202 [0,2,0,0,0,0|1,0,0]=3 1235 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])I 7a_100000698543_100000210202 [0,2,0,0,0,0|1,0,0]=3 1236 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])N 34a_100000032192_100000210202 [0,2,0,0,0,0|1,0,0]=3 1237 B13R1.141 CCOc1ccc(cc1[N+](=O)[O-])N 7a_100000032192_100000210202 [0,2,0,0,0,0|1,0,0]=3 1238 B13R1.141 CCOc1ccc(nc1[N+](=O)[O-])Br 7a_100000684561_100000210202 [0,2,0,0,0,0|2,0,0]=4 1239 B13R1.141 CCOc1ccc(nc1[N+](=O)[O-])C 7a_100000211580_100000210202 [0,2,0,0,0,0|1,0,0]=3 1240 B13R1.141 CCOc1ccc(nc1[N+](=O)[O-])Cl 7a_100000094143_100000210202 [0,2,0,0,0,0|2,0,0]=4 1241 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])Br 2230a_106832991635_100012353686 [0,2,0,0,0,0|2,0,0]=4 1242 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])Br 26a_100102657272_100000757407 [0,2,0,0,0,0|2,0,0]=4 1243 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])Br 34a_100102657272_100012353686 [0,2,0,0,0,0|2,0,0]=4 1244 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])Br 7a_106832991635_100012353686 [0,2,0,0,0,0|2,0,0]=4 1245 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])C 207a_100102657272_100000050315 [0,2,0,0,0,0|1,0,0]=3 1246 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])C 2230a_106832991635_200009879986 [0,2,0,0,0,0|1,0,0]=3 1247 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])C 34a_100102657272_200009879986 [0,2,0,0,0,0|1,0,0]=3 1248 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])C 7a_106832991635_200009879986 [0,2,0,0,0,0|1,0,0]=3 1249 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])Cl 2230a_106832991635_100000748067 [0,2,0,0,0,0|2,0,0]=4 1250 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])Cl 34a_100102657272_100000748067 [0,2,0,0,0,0|2,0,0]=4 1251 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])Cl 7a_106832991635_100000748067 [0,2,0,0,0,0|2,0,0]=4 1252 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])F 2230a_106832991635_100012145688 [0,2,0,0,0,0|2,0,0]=4 1253 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])F 34a_100102657272_100012145688 [0,2,0,0,0,0|2,0,0]=4 1254 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])F 7a_106832991635_100012145688 [0,2,0,0,0,0|2,0,0]=4 1255 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])I 2230a_106832991635_200010171343 [0,2,0,0,0,0|2,0,0]=4 1256 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])I 34a_100102657272_200010171343 [0,2,0,0,0,0|2,0,0]=4 1257 B13R1.141 CNCc1ccc(cc1[N+](=O)[O-])I 7a_106832991635_200010171343 [0,2,0,0,0,0|2,0,0]=4 1258 B13R1.141 COCc1ccc(cc1[N+](=O)[O-])Br 34a_100138415774_100012353686 [0,2,0,0,0,0|1,0,0]=3 1259 B13R1.141 COCc1ccc(cc1[N+](=O)[O-])Br 7a_100012353685_200000210301 [0,2,0,0,0,0|1,0,0]=3 1260 B13R1.141 COCc1ccc(cc1[N+](=O)[O-])C 34a_100138415774_200009879986 [0,2,0,0,0,0|0,0,0]=2 1261 B13R1.141 COCc1ccc(cc1[N+](=O)[O-])C 7a_100000087798_200000210301 [0,2,0,0,0,0|0,0,0]=2 1262 B13R1.141 COCc1ccc(cc1[N+](=O)[O-])Cl 34a_100138415774_100000748067 [0,2,0,0,0,0|1,0,0]=3 1263 B13R1.141 COCc1ccc(cc1[N+](=O)[O-])Cl 7a_100011219603_200000210301 [0,2,0,0,0,0|1,0,0]=3 1264 B13R1.141 COCc1ccc(cc1[N+](=O)[O-])F 34a_100000085351_200000210301 [0,2,0,0,0,0|1,0,0]=3 1265 B13R1.141 COCc1ccc(cc1[N+](=O)[O-])F 34a_100138415774_100012145688 [0,2,0,0,0,0|1,0,0]=3 1266 B13R1.141 COCc1ccc(cc1[N+](=O)[O-])F 7a_100000085351_200000210301 [0,2,0,0,0,0|1,0,0]=3 1267 B13R1.141 COCc1ccc(cc1[N+](=O)[O-])I 34a_100138415774_200010171343 [0,2,0,0,0,0|1,0,0]=3 1268 B13R1.141 COCc1ccc(cc1[N+](=O)[O-])I 7a_200000049922_200000210301 [0,2,0,0,0,0|1,0,0]=3 1269 B13R1.141 CSCc1ccc(cc1[N+](=O)[O-])Br 62a_100012353686_200000210301 [0,2,0,0,0,0|1,1,0]=4 1270 B13R1.141 CSCc1ccc(cc1[N+](=O)[O-])F 62a_100012145688_200000210301 [0,2,0,0,0,0|1,1,0]=4 1271 B13R1.141 CSCc1ccc(cc1[N+](=O)[O-])I 62a_200010171343_200000210301 [0,2,0,0,0,0|1,1,0]=4 1272 B13R1.141 Cc1ccc(c(c1)C(=O)N)OCF 34a_200000192840_100015361967 [0,2,0,0,0,0|2,0,0]=4 1273 B13R1.141 Cc1ccc(c(c1)C(=O)N)OCF 7a_200000192840_100015361967 [0,2,0,0,0,0|2,0,0]=4 1274 B13R1.141 Cc1ccc(c(c1)[N+](=O)[O-])CO[13CH3] 7a_100000087798_200025704644 [0,2,0,0,0,0|0,0,0]=2 1275 B13R1.141 Cc1ccc(c(c1)[N+](=O)[O-])OCF 34a_100000195567_100015361967 [0,2,0,0,0,0|0,0,0]=2 1276 B13R1.141 Cc1ccc(c(c1)[N+](=O)[O-])OCF 7a_100000195567_100015361967 [0,2,0,0,0,0|0,0,0]=2 1277 B13R1.141 Cc1ccc(c(n1)[N+](=O)[O-])OCF 7a_100000211580_100015361967 [0,2,0,0,0,0|1,0,0]=3 1278 B13R1.141 Nc1ccc(c(c1)[N+](=O)[O-])OCF 34a_100000032192_100015361967 [0,2,0,0,0,0|1,0,0]=3 1279 B13R1.141 Nc1ccc(c(c1)[N+](=O)[O-])OCF 7a_100000032192_100015361967 [0,2,0,0,0,0|1,0,0]=3 1280 B13R1.141 O=[N+]([O-])c1c[n+](ccc1OCF)[O-] 7a_100000047301_100015361967 [0,2,0,0,0,0|2,0,0]=4 1281 B13R1.141 O=[N+]([O-])c1cc(ccc1NCF)F 34a_100000187532_100015361967 [0,2,0,0,0,0|2,0,0]=4 1282 B13R1.141 O=[N+]([O-])c1cc(ccc1OCF)Br 34a_100000757407_100015361967 [0,2,0,0,0,0|1,0,0]=3 1283 B13R1.141 O=[N+]([O-])c1cc(ccc1OCF)Br 7a_100000757407_100015361967 [0,2,0,0,0,0|1,0,0]=3 1284 B13R1.141 O=[N+]([O-])c1cc(ccc1OCF)Cl 34a_100000212152_100015361967 [0,2,0,0,0,0|1,0,0]=3 1285 B13R1.141 O=[N+]([O-])c1cc(ccc1OCF)Cl 7a_100000212152_100015361967 [0,2,0,0,0,0|1,0,0]=3 1286 B13R1.141 O=[N+]([O-])c1cc(ccc1OCF)F 34a_100000748789_100015361967 [0,2,0,0,0,0|1,0,0]=3 1287 B13R1.141 O=[N+]([O-])c1cc(ccc1OCF)F 7a_100000748789_100015361967 [0,2,0,0,0,0|1,0,0]=3 1288 B13R1.141 O=[N+]([O-])c1cc(ccc1OCF)I 7a_100000698543_100015361967 [0,2,0,0,0,0|1,0,0]=3 1289 B13R1.141 O=[N+]([O-])c1nc(ccc1OCF)Br 7a_100000684561_100015361967 [0,2,0,0,0,0|2,0,0]=4 1290 B13R1.141 O=[N+]([O-])c1nc(ccc1OCF)Cl 7a_100000094143_100015361967 [0,2,0,0,0,0|2,0,0]=4 1291 B13R1.141 [13CH3]OCc1ccc(cc1[N+](=O)[O-])Br 7a_100012353685_200025704644 [0,2,0,0,0,0|1,0,0]=3 1292 B13R1.141 [13CH3]OCc1ccc(cc1[N+](=O)[O-])Cl 7a_100011219603_200025704644 [0,2,0,0,0,0|1,0,0]=3 1293 B13R1.141 [13CH3]OCc1ccc(cc1[N+](=O)[O-])F 34a_100000085351_200025704644 [0,2,0,0,0,0|1,0,0]=3 1294 B13R1.141 [13CH3]OCc1ccc(cc1[N+](=O)[O-])F 7a_100000085351_200025704644 [0,2,0,0,0,0|1,0,0]=3 1295 B13R1.141 [13CH3]OCc1ccc(cc1[N+](=O)[O-])I 7a_200000049922_200025704644 [0,2,0,0,0,0|1,0,0]=3 1296 B13R1.141 [13CH3]SCc1ccc(cc1[N+](=O)[O-])Br 62a_100012353686_200025704644 [0,2,0,0,0,0|1,1,0]=4 1297 B13R1.141 [13CH3]SCc1ccc(cc1[N+](=O)[O-])F 62a_100012145688_200025704644 [0,2,0,0,0,0|1,1,0]=4 1298 B13R1.141 [13CH3]SCc1ccc(cc1[N+](=O)[O-])I 62a_200010171343_200025704644 [0,2,0,0,0,0|1,1,0]=4 1299 B13R1.165 CC(=O)c1ccc(cc1[N+](=O)[O-])Br 1458a_100000767047_200000210301 [0,2,0,0,0,0|1,0,1]=4 1300 B13R1.165 CC(=O)c1ccc(cc1[N+](=O)[O-])C 1458a_100011827699_200000210301 [0,2,0,0,0,0|0,0,1]=3 1301 B13R1.165 CC(=O)c1ccc(cc1[N+](=O)[O-])Cl 1458a_100000210460_200000210301 [0,2,0,0,0,0|1,0,1]=4 1302 B13R1.165 CC(=O)c1ccc(cc1[N+](=O)[O-])F 1458a_100000686224_200000210301 [0,2,0,0,0,0|1,0,1]=4 1303 B13R1.165 CC(=O)c1ccc(cc1[N+](=O)[O-])I 1458a_100000718686_200000210301 [0,2,0,0,0,0|1,0,1]=4 1304 B13R1.165 CC(=O)c1ccc(cc1[N+](=O)[O-])O 1458a_100000701580_200000210301 [0,2,0,0,0,0|1,0,1]=4 1305 B13R1.165 CN(C)c1ccc(cc1[N+](=O)[O-])Br 2230a_100000752019_200000210301 [0,2,0,0,0,0|2,0,0]=4 1306 B13R1.165 CN(C)c1ccc(cc1[N+](=O)[O-])Br 269982a_100000752019_200000210301 [0,2,0,0,0,0|2,0,0]=4 1307 B13R1.165 CN(C)c1ccc(cc1[N+](=O)[O-])Cl 2230a_100000156513_200000210301 [0,2,0,0,0,0|2,0,0]=4 1308 B13R1.165 CN(C)c1ccc(cc1[N+](=O)[O-])Cl 269982a_100000156513_200000210301 [0,2,0,0,0,0|2,0,0]=4 1309 B13R1.165 CN(C)c1ccc(cc1[N+](=O)[O-])F 2230a_100000197360_200000210301 [0,2,0,0,0,0|2,0,0]=4 1310 B13R1.165 CN(C)c1ccc(cc1[N+](=O)[O-])F 269982a_100000197360_200000210301 [0,2,0,0,0,0|2,0,0]=4 1311 B13R1.165 CN(C)c1ccc(cc1[N+](=O)[O-])F 34a_100000197360_200000210301 [0,2,0,0,0,0|2,0,0]=4 1312 B13R1.165 CN([13CH3])c1ccc(cc1[N+](=O)[O-])Br 2230a_100000752019_200025704644 [0,2,0,0,0,0|2,0,0]=4 1313 B13R1.165 CN([13CH3])c1ccc(cc1[N+](=O)[O-])Br 269982a_100000752019_200025704644 [0,2,0,0,0,0|2,0,0]=4 1314 B13R1.165 CN([13CH3])c1ccc(cc1[N+](=O)[O-])Cl 2230a_100000156513_200025704644 [0,2,0,0,0,0|2,0,0]=4 1315 B13R1.165 CN([13CH3])c1ccc(cc1[N+](=O)[O-])Cl 269982a_100000156513_200025704644 [0,2,0,0,0,0|2,0,0]=4 1316 B13R1.165 CN([13CH3])c1ccc(cc1[N+](=O)[O-])F 2230a_100000197360_200025704644 [0,2,0,0,0,0|2,0,0]=4 1317 B13R1.165 CN([13CH3])c1ccc(cc1[N+](=O)[O-])F 269982a_100000197360_200025704644 [0,2,0,0,0,0|2,0,0]=4 1318 B13R1.165 CN([13CH3])c1ccc(cc1[N+](=O)[O-])F 34a_100000197360_200025704644 [0,2,0,0,0,0|2,0,0]=4 1319 B13R1.165 Cc1ccc(c(c1)[N+](=O)[O-])C(=O)[13CH3] 1458a_100011827699_200025704644 [0,2,0,0,0,0|0,0,1]=3 1320 B13R1.165 [13CH3]C(=O)c1ccc(cc1[N+](=O)[O-])Br 1458a_100000767047_200025704644 [0,2,0,0,0,0|1,0,1]=4 1321 B13R1.165 [13CH3]C(=O)c1ccc(cc1[N+](=O)[O-])Cl 1458a_100000210460_200025704644 [0,2,0,0,0,0|1,0,1]=4 1322 B13R1.165 [13CH3]C(=O)c1ccc(cc1[N+](=O)[O-])F 1458a_100000686224_200025704644 [0,2,0,0,0,0|1,0,1]=4 1323 B13R1.165 [13CH3]C(=O)c1ccc(cc1[N+](=O)[O-])I 1458a_100000718686_200025704644 [0,2,0,0,0,0|1,0,1]=4 1324 B13R1.165 [13CH3]C(=O)c1ccc(cc1[N+](=O)[O-])O 1458a_100000701580_200025704644 [0,2,0,0,0,0|1,0,1]=4 1325 B13R1.2209 CCC(=O)c1cc(ccc1OC)C 1458a_100000204667_100000210202 [0,2,0,0,0,0|2,0,0]=4 1326 B13R1.2209 CCC(=O)c1cc(ccc1OC)C 7a_100000183590_200000210301 [0,2,0,0,0,0|2,0,0]=4 1327 B13R1.2209 CCC(=O)c1cc(ccc1O[13CH3])C 7a_100000183590_200025704644 [0,2,0,0,0,0|2,0,0]=4 1328 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 11a_106832991635_100000204667 [0,2,0,0,0,0|2,0,0]=4 1329 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 1626a_100102657272_100000204667 [0,2,0,0,0,0|2,0,0]=4 1330 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 240690a_100102657272_100000204667 [0,2,0,0,0,0|2,0,0]=4 1331 B13R1.2209 CNC(=O)c1cc(ccc1OC)C 527a_100102657272_100000204667 [0,2,0,0,0,0|2,0,0]=4 1332 B13R1.2209 COC(=O)c1cc(ccc1OC)C 34a_100000216618_200000210301 [0,2,0,0,0,0|1,0,1]=4 1333 B13R1.2209 COC(=O)c1cc(ccc1OC)C 7a_100000216618_200000210301 [0,2,0,0,0,0|1,0,1]=4 1334 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])C 34a_100000216618_200025704644 [0,2,0,0,0,0|1,0,1]=4 1335 B13R1.2209 COC(=O)c1cc(ccc1O[13CH3])C 7a_100000216618_200025704644 [0,2,0,0,0,0|1,0,1]=4 1336 B13R1.2209 COc1ccc(cc1C(=O)CF)C 1458a_100000204667_100015361967 [0,2,0,0,0,0|2,0,0]=4 1337 B13R1.2209 COc1ccc(cc1C(=O)NN)C 34a_200000193374_200000210301 [0,2,0,0,0,0|2,0,0]=4 1338 B13R1.2209 Cc1ccc(c(c1)C(=O)NN)O[13CH3] 34a_200000193374_200025704644 [0,2,0,0,0,0|2,0,0]=4 1339 B13R1.2279 CNc1ccc(c(c1[N+](=O)[O-])C)Br 2230a_100010749425_200000210301 [0,2,0,0,0,0|2,0,0]=4 1340 B13R1.2279 CNc1ccc(c(c1[N+](=O)[O-])C)Cl 2230a_200016036588_200000210301 [0,2,0,0,0,0|2,0,0]=4 1341 B13R1.2279 CNc1ccc(c(c1[N+](=O)[O-])C)Cl 34a_200016036588_200000210301 [0,2,0,0,0,0|2,0,0]=4 1342 B13R1.2279 CNc1ccc(c(c1[N+](=O)[O-])F)Br 2230a_100009814303_200000210301 [0,2,0,0,0,0|2,0,0]=4 1343 B13R1.2279 COc1ccc(c(c1[N+](=O)[O-])C)Br 34a_100010090815_200000210301 [0,2,0,0,0,0|1,0,0]=3 1344 B13R1.2279 COc1ccc(c(c1[N+](=O)[O-])C)Br 7a_100010090815_200000210301 [0,2,0,0,0,0|1,0,0]=3 1345 B13R1.2279 Cc1c(ccc(c1[N+](=O)[O-])N[13CH3])Br 2230a_100010749425_200025704644 [0,2,0,0,0,0|2,0,0]=4 1346 B13R1.2279 Cc1c(ccc(c1[N+](=O)[O-])N[13CH3])Cl 2230a_200016036588_200025704644 [0,2,0,0,0,0|2,0,0]=4 1347 B13R1.2279 Cc1c(ccc(c1[N+](=O)[O-])N[13CH3])Cl 34a_200016036588_200025704644 [0,2,0,0,0,0|2,0,0]=4 1348 B13R1.2279 Cc1c(ccc(c1[N+](=O)[O-])O[13CH3])Br 34a_100010090815_200025704644 [0,2,0,0,0,0|1,0,0]=3 1349 B13R1.2279 Cc1c(ccc(c1[N+](=O)[O-])O[13CH3])Br 7a_100010090815_200025704644 [0,2,0,0,0,0|1,0,0]=3 1350 B13R1.2279 [13CH3]Nc1ccc(c(c1[N+](=O)[O-])F)Br 2230a_100009814303_200025704644 [0,2,0,0,0,0|2,0,0]=4 1351 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])Br)C 34a_100009816031_200025704644 [0,2,0,0,0,0|2,0,0]=4 1352 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])Br)C 7a_100009816031_200025704644 [0,2,0,0,0,0|2,0,0]=4 1353 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])C)C 34a_100000014572_200025704644 [0,2,0,0,0,0|2,0,0]=4 1354 B13R1.2398 CC(=O)c1cc(c(cc1O[13CH3])C)C 7a_100000014572_200025704644 [0,2,0,0,0,0|2,0,0]=4 1355 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])Br)C 2230a_100010071459_200000210301 [0,2,0,0,0,0|2,0,0]=4 1356 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])Br)C 7a_100010071459_200000210301 [0,2,0,0,0,0|2,0,0]=4 1357 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])Br)Cl 2230a_100000717972_200000210301 [0,2,0,0,0,0|2,0,0]=4 1358 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])Br)Cl 7a_100000717972_200000210301 [0,2,0,0,0,0|2,0,0]=4 1359 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])Br)F 2230a_100000766068_200000210301 [0,2,0,0,0,0|2,0,0]=4 1360 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])Br)F 7a_100000766068_200000210301 [0,2,0,0,0,0|2,0,0]=4 1361 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])C)Br 2230a_100009993796_200000210301 [0,2,0,0,0,0|1,0,0]=3 1362 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])C)Br 7a_100009993796_200000210301 [0,2,0,0,0,0|1,0,0]=3 1363 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])C)C 2230a_100000211049_200000210301 [0,2,0,0,0,0|1,0,0]=3 1364 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])C)C 7a_100000211049_200000210301 [0,2,0,0,0,0|1,0,0]=3 1365 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])C)Cl 2230a_100011219555_200000210301 [0,2,0,0,0,0|1,0,0]=3 1366 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])C)Cl 7a_100011219555_200000210301 [0,2,0,0,0,0|1,0,0]=3 1367 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])Cl)Cl 7a_100011215035_200000210301 [0,2,0,0,0,0|2,0,0]=4 1368 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])Cl)F 2230a_100012180780_200000210301 [0,2,0,0,0,0|2,0,0]=4 1369 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])Cl)F 34a_100012180780_200000210301 [0,2,0,0,0,0|2,0,0]=4 1370 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])Cl)F 7a_100012180780_200000210301 [0,2,0,0,0,0|2,0,0]=4 1371 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])F)Br 2230a_100012662953_200000210301 [0,2,0,0,0,0|2,0,0]=4 1372 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])F)Br 7a_100012662953_200000210301 [0,2,0,0,0,0|2,0,0]=4 1373 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])F)Cl 2230a_100011216510_200000210301 [0,2,0,0,0,0|2,0,0]=4 1374 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])F)Cl 7a_100011216510_200000210301 [0,2,0,0,0,0|2,0,0]=4 1375 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])F)F 2230a_100000735901_200000210301 [0,2,0,0,0,0|2,0,0]=4 1376 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])F)F 34a_100000735901_200000210301 [0,2,0,0,0,0|2,0,0]=4 1377 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])F)F 7a_100000735901_200000210301 [0,2,0,0,0,0|2,0,0]=4 1378 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])I)Br 7a_200021141667_200000210301 [0,2,0,0,0,0|2,0,0]=4 1379 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])I)C 7a_100011003967_200000210301 [0,2,0,0,0,0|2,0,0]=4 1380 B13R1.2398 CNc1cc(c(cc1[N+](=O)[O-])I)Cl 7a_100010191617_200000210301 [0,2,0,0,0,0|2,0,0]=4 1381 B13R1.2398 COc1cc(c(cc1C(=O)C)C)Br 34a_100009816031_200000210301 [0,2,0,0,0,0|2,0,0]=4 1382 B13R1.2398 COc1cc(c(cc1C(=O)C)C)Br 7a_100009816031_200000210301 [0,2,0,0,0,0|2,0,0]=4 1383 B13R1.2398 COc1cc(c(cc1C(=O)C)C)C 34a_100000014572_200000210301 [0,2,0,0,0,0|2,0,0]=4 1384 B13R1.2398 COc1cc(c(cc1C(=O)C)C)C 7a_100000014572_200000210301 [0,2,0,0,0,0|2,0,0]=4 1385 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Br)C 34a_100012351188_200000210301 [0,2,0,0,0,0|1,0,0]=3 1386 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Br)C 7a_100012351188_200000210301 [0,2,0,0,0,0|1,0,0]=3 1387 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Br)Cl 7a_100014909177_200000210301 [0,2,0,0,0,0|1,0,0]=3 1388 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Br)F 34a_100000718853_200000210301 [0,2,0,0,0,0|1,0,0]=3 1389 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Br)F 7a_100000718853_200000210301 [0,2,0,0,0,0|1,0,0]=3 1390 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])C)Cl 34a_200009838783_200000210301 [0,2,0,0,0,0|0,0,0]=2 1391 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])C)Cl 7a_200009838783_200000210301 [0,2,0,0,0,0|0,0,0]=2 1392 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])C)F 34a_100012182840_200000210301 [0,2,0,0,0,0|0,0,0]=2 1393 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])C)F 7a_100012182840_200000210301 [0,2,0,0,0,0|0,0,0]=2 1394 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Cl)Br 7a_100010381898_200000210301 [0,2,0,0,0,0|1,0,0]=3 1395 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Cl)C 34a_100011215964_200000210301 [0,2,0,0,0,0|1,0,0]=3 1396 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Cl)C 7a_100011215964_200000210301 [0,2,0,0,0,0|1,0,0]=3 1397 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Cl)Cl 34a_100000717957_200000210301 [0,2,0,0,0,0|1,0,0]=3 1398 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Cl)Cl 7a_100000717957_200000210301 [0,2,0,0,0,0|1,0,0]=3 1399 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Cl)F 34a_100000724970_200000210301 [0,2,0,0,0,0|1,0,0]=3 1400 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])Cl)F 7a_100000724970_200000210301 [0,2,0,0,0,0|1,0,0]=3 1401 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])F)Br 34a_100013631521_200000210301 [0,2,0,0,0,0|1,0,0]=3 1402 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])F)Br 7a_100013631521_200000210301 [0,2,0,0,0,0|1,0,0]=3 1403 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])F)C 34a_100012175661_200000210301 [0,2,0,0,0,0|1,0,0]=3 1404 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])F)C 7a_100012175661_200000210301 [0,2,0,0,0,0|1,0,0]=3 1405 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])F)Cl 34a_100012183888_200000210301 [0,2,0,0,0,0|1,0,0]=3 1406 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])F)Cl 7a_100012183888_200000210301 [0,2,0,0,0,0|1,0,0]=3 1407 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])F)F 34a_100000688940_200000210301 [0,2,0,0,0,0|1,0,0]=3 1408 B13R1.2398 COc1cc(c(cc1[N+](=O)[O-])F)F 7a_100000688940_200000210301 [0,2,0,0,0,0|1,0,0]=3 1409 B13R1.2398 Cc1cc(c(cc1Br)N[13CH3])[N+](=O)[O-] 2230a_100009993796_200025704644 [0,2,0,0,0,0|1,0,0]=3 1410 B13R1.2398 Cc1cc(c(cc1Br)N[13CH3])[N+](=O)[O-] 7a_100009993796_200025704644 [0,2,0,0,0,0|1,0,0]=3 1411 B13R1.2398 Cc1cc(c(cc1Br)[N+](=O)[O-])N[13CH3] 2230a_100010071459_200025704644 [0,2,0,0,0,0|2,0,0]=4 1412 B13R1.2398 Cc1cc(c(cc1Br)[N+](=O)[O-])N[13CH3] 7a_100010071459_200025704644 [0,2,0,0,0,0|2,0,0]=4 1413 B13R1.2398 Cc1cc(c(cc1Br)[N+](=O)[O-])O[13CH3] 34a_100012351188_200025704644 [0,2,0,0,0,0|1,0,0]=3 1414 B13R1.2398 Cc1cc(c(cc1Br)[N+](=O)[O-])O[13CH3] 7a_100012351188_200025704644 [0,2,0,0,0,0|1,0,0]=3 1415 B13R1.2398 Cc1cc(c(cc1C)[N+](=O)[O-])N[13CH3] 2230a_100000211049_200025704644 [0,2,0,0,0,0|1,0,0]=3 1416 B13R1.2398 Cc1cc(c(cc1C)[N+](=O)[O-])N[13CH3] 7a_100000211049_200025704644 [0,2,0,0,0,0|1,0,0]=3 1417 B13R1.2398 Cc1cc(c(cc1Cl)N[13CH3])[N+](=O)[O-] 2230a_100011219555_200025704644 [0,2,0,0,0,0|1,0,0]=3 1418 B13R1.2398 Cc1cc(c(cc1Cl)N[13CH3])[N+](=O)[O-] 7a_100011219555_200025704644 [0,2,0,0,0,0|1,0,0]=3 1419 B13R1.2398 Cc1cc(c(cc1Cl)O[13CH3])[N+](=O)[O-] 34a_200009838783_200025704644 [0,2,0,0,0,0|0,0,0]=2 1420 B13R1.2398 Cc1cc(c(cc1Cl)O[13CH3])[N+](=O)[O-] 7a_200009838783_200025704644 [0,2,0,0,0,0|0,0,0]=2 1421 B13R1.2398 Cc1cc(c(cc1Cl)[N+](=O)[O-])O[13CH3] 34a_100011215964_200025704644 [0,2,0,0,0,0|1,0,0]=3 1422 B13R1.2398 Cc1cc(c(cc1Cl)[N+](=O)[O-])O[13CH3] 7a_100011215964_200025704644 [0,2,0,0,0,0|1,0,0]=3 1423 B13R1.2398 Cc1cc(c(cc1F)O[13CH3])[N+](=O)[O-] 34a_100012182840_200025704644 [0,2,0,0,0,0|0,0,0]=2 1424 B13R1.2398 Cc1cc(c(cc1F)O[13CH3])[N+](=O)[O-] 7a_100012182840_200025704644 [0,2,0,0,0,0|0,0,0]=2 1425 B13R1.2398 Cc1cc(c(cc1F)[N+](=O)[O-])O[13CH3] 34a_100012175661_200025704644 [0,2,0,0,0,0|1,0,0]=3 1426 B13R1.2398 Cc1cc(c(cc1F)[N+](=O)[O-])O[13CH3] 7a_100012175661_200025704644 [0,2,0,0,0,0|1,0,0]=3 1427 B13R1.2398 Cc1cc(c(cc1I)[N+](=O)[O-])N[13CH3] 7a_100011003967_200025704644 [0,2,0,0,0,0|2,0,0]=4 1428 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])Br)Cl 2230a_100000717972_200025704644 [0,2,0,0,0,0|2,0,0]=4 1429 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])Br)Cl 7a_100000717972_200025704644 [0,2,0,0,0,0|2,0,0]=4 1430 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])Br)F 2230a_100000766068_200025704644 [0,2,0,0,0,0|2,0,0]=4 1431 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])Br)F 7a_100000766068_200025704644 [0,2,0,0,0,0|2,0,0]=4 1432 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])Cl)Cl 7a_100011215035_200025704644 [0,2,0,0,0,0|2,0,0]=4 1433 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])Cl)F 2230a_100012180780_200025704644 [0,2,0,0,0,0|2,0,0]=4 1434 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])Cl)F 34a_100012180780_200025704644 [0,2,0,0,0,0|2,0,0]=4 1435 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])Cl)F 7a_100012180780_200025704644 [0,2,0,0,0,0|2,0,0]=4 1436 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])F)Br 2230a_100012662953_200025704644 [0,2,0,0,0,0|2,0,0]=4 1437 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])F)Br 7a_100012662953_200025704644 [0,2,0,0,0,0|2,0,0]=4 1438 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])F)Cl 2230a_100011216510_200025704644 [0,2,0,0,0,0|2,0,0]=4 1439 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])F)Cl 7a_100011216510_200025704644 [0,2,0,0,0,0|2,0,0]=4 1440 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])F)F 2230a_100000735901_200025704644 [0,2,0,0,0,0|2,0,0]=4 1441 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])F)F 34a_100000735901_200025704644 [0,2,0,0,0,0|2,0,0]=4 1442 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])F)F 7a_100000735901_200025704644 [0,2,0,0,0,0|2,0,0]=4 1443 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])I)Br 7a_200021141667_200025704644 [0,2,0,0,0,0|2,0,0]=4 1444 B13R1.2398 [13CH3]Nc1cc(c(cc1[N+](=O)[O-])I)Cl 7a_100010191617_200025704644 [0,2,0,0,0,0|2,0,0]=4 1445 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])Br)Cl 7a_100014909177_200025704644 [0,2,0,0,0,0|1,0,0]=3 1446 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])Br)F 34a_100000718853_200025704644 [0,2,0,0,0,0|1,0,0]=3 1447 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])Br)F 7a_100000718853_200025704644 [0,2,0,0,0,0|1,0,0]=3 1448 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])Cl)Br 7a_100010381898_200025704644 [0,2,0,0,0,0|1,0,0]=3 1449 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])Cl)Cl 34a_100000717957_200025704644 [0,2,0,0,0,0|1,0,0]=3 1450 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])Cl)Cl 7a_100000717957_200025704644 [0,2,0,0,0,0|1,0,0]=3 1451 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])Cl)F 34a_100000724970_200025704644 [0,2,0,0,0,0|1,0,0]=3 1452 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])Cl)F 7a_100000724970_200025704644 [0,2,0,0,0,0|1,0,0]=3 1453 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])F)Br 34a_100013631521_200025704644 [0,2,0,0,0,0|1,0,0]=3 1454 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])F)Br 7a_100013631521_200025704644 [0,2,0,0,0,0|1,0,0]=3 1455 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])F)Cl 34a_100012183888_200025704644 [0,2,0,0,0,0|1,0,0]=3 1456 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])F)Cl 7a_100012183888_200025704644 [0,2,0,0,0,0|1,0,0]=3 1457 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])F)F 34a_100000688940_200025704644 [0,2,0,0,0,0|1,0,0]=3 1458 B13R1.2398 [13CH3]Oc1cc(c(cc1[N+](=O)[O-])F)F 7a_100000688940_200025704644 [0,2,0,0,0,0|1,0,0]=3 1459 B13R1.2430 CCc1ccc(c(c1)C(=O)C)OC 34a_100000230022_200000210301 [0,2,0,0,0,0|2,0,0]=4 1460 B13R1.2430 CCc1ccc(c(c1)C(=O)C)OC 7a_100000230022_200000210301 [0,2,0,0,0,0|2,0,0]=4 1461 B13R1.2430 CCc1ccc(c(c1)C(=O)C)O[13CH3] 34a_100000230022_200025704644 [0,2,0,0,0,0|2,0,0]=4 1462 B13R1.2430 CCc1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000230022_200025704644 [0,2,0,0,0,0|2,0,0]=4 1463 B13R1.2430 CCc1ccc(c(c1)[N+](=O)[O-])NC 2230a_100012180705_200000210301 [0,2,0,0,0,0|1,0,0]=3 1464 B13R1.2430 CCc1ccc(c(c1)[N+](=O)[O-])N[13CH3] 2230a_100012180705_200025704644 [0,2,0,0,0,0|1,0,0]=3 1465 B13R1.2430 CCc1ccc(c(c1)[N+](=O)[O-])OC 34a_100000756517_200000210301 [0,2,0,0,0,0|0,0,0]=2 1466 B13R1.2430 CCc1ccc(c(c1)[N+](=O)[O-])OC 7a_100000756517_200000210301 [0,2,0,0,0,0|0,0,0]=2 1467 B13R1.2430 CCc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 34a_100000756517_200025704644 [0,2,0,0,0,0|0,0,0]=2 1468 B13R1.2430 CCc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 7a_100000756517_200025704644 [0,2,0,0,0,0|0,0,0]=2 1469 B13R1.2430 CCc1ccc(cc1[N+](=O)[O-])NC 34a_100000737081_200000210301 [0,2,0,0,0,0|1,0,0]=3 1470 B13R1.2430 CCc1ccc(cc1[N+](=O)[O-])NC 7a_100000737081_200000210301 [0,2,0,0,0,0|1,0,0]=3 1471 B13R1.2430 CCc1ccc(cc1[N+](=O)[O-])N[13CH3] 34a_100000737081_200025704644 [0,2,0,0,0,0|1,0,0]=3 1472 B13R1.2430 CCc1ccc(cc1[N+](=O)[O-])N[13CH3] 7a_100000737081_200025704644 [0,2,0,0,0,0|1,0,0]=3 1473 B13R1.2430 CNc1ccc(c(c1)C(=O)N)OC 34a_200011413973_200000210301 [0,2,0,0,0,0|2,0,0]=4 1474 B13R1.2430 CNc1ccc(c(c1)C(=O)N)OC 7a_200011413973_200000210301 [0,2,0,0,0,0|2,0,0]=4 1475 B13R1.2430 CNc1ccc(c(c1)[N+](=O)[O-])OC 34a_100000042093_200000210301 [0,2,0,0,0,0|0,0,0]=2 1476 B13R1.2430 CNc1ccc(cc1[N+](=O)[O-])C#N 7a_100000210007_200000210301 [0,2,0,0,0,0|1,0,1]=4 1477 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 1458a_100000185243_200000210301 [0,2,0,0,0,0|2,0,0]=4 1478 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 34a_100000081070_200000210301 [0,2,0,0,0,0|2,0,0]=4 1479 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 34a_100000211518_200000210301 [0,2,0,0,0,0|2,0,0]=4 1480 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 7a_100000081070_200000210301 [0,2,0,0,0,0|2,0,0]=4 1481 B13R1.2430 COc1ccc(c(c1)C(=O)C)OC 7a_100000211518_200000210301 [0,2,0,0,0,0|2,0,0]=4 1482 B13R1.2430 COc1ccc(c(c1)C(=O)C)O[13CH3] 34a_100000211518_200025704644 [0,2,0,0,0,0|2,0,0]=4 1483 B13R1.2430 COc1ccc(c(c1)C(=O)C)O[13CH3] 7a_100000211518_200025704644 [0,2,0,0,0,0|2,0,0]=4 1484 B13R1.2430 COc1ccc(c(c1)C(=O)[13CH3])OC 1458a_100000185243_200025704644 [0,2,0,0,0,0|2,0,0]=4 1485 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])CO 34a_200009888365_200000210301 [0,2,0,0,0,0|0,0,0]=2 1486 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])CO 7a_200009888365_200000210301 [0,2,0,0,0,0|0,0,0]=2 1487 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])OC 34a_100000211607_200000210301 [0,2,0,0,0,0|0,0,0]=2 1488 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])OC 34a_100000716441_200000210301 [0,2,0,0,0,0|0,0,0]=2 1489 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])OC 7a_100000211607_200000210301 [0,2,0,0,0,0|0,0,0]=2 1490 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])OC 7a_100000716441_200000210301 [0,2,0,0,0,0|0,0,0]=2 1491 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 34a_100000211607_200025704644 [0,2,0,0,0,0|0,0,0]=2 1492 B13R1.2430 COc1ccc(c(c1)[N+](=O)[O-])O[13CH3] 7a_100000211607_200025704644 [0,2,0,0,0,0|0,0,0]=2 1493 B13R1.2430 COc1ccc(cc1C(=O)C)O[13CH3] 34a_100000081070_200025704644 [0,2,0,0,0,0|2,0,0]=4 1494 B13R1.2430 COc1ccc(cc1C(=O)C)O[13CH3] 7a_100000081070_200025704644 [0,2,0,0,0,0|2,0,0]=4 1495 B13R1.2430 COc1ccc(cc1C(=O)C)SC 62a_100000173343_200000210301 [0,2,0,0,0,0|2,0,0]=4 1496 B13R1.2430 COc1ccc(cc1C(=O)C)S[13CH3] 62a_100000173343_200025704644 [0,2,0,0,0,0|2,0,0]=4 1497 B13R1.2430 COc1ccc(cc1C(=O)N)N[13CH3] 34a_200011413973_200025704644 [0,2,0,0,0,0|2,0,0]=4 1498 B13R1.2430 COc1ccc(cc1C(=O)N)N[13CH3] 7a_200011413973_200025704644 [0,2,0,0,0,0|2,0,0]=4 1499 B13R1.2430 COc1ccc(cc1[N+](=O)[O-])C#N 34a_100000188248_200000210301 [0,2,0,0,0,0|0,0,1]=3 1500 B13R1.2430 COc1ccc(cc1[N+](=O)[O-])C#N 7a_100000188248_200000210301 [0,2,0,0,0,0|0,0,1]=3 1501 B13R1.2430 COc1ccc(cc1[N+](=O)[O-])CBr 34a_100010149780_200000210301 [0,2,0,0,0,0|0,0,0]=2 1502 B13R1.2430 COc1ccc(cc1[N+](=O)[O-])CBr 7a_100010149780_200000210301 [0,2,0,0,0,0|0,0,0]=2 1503 B13R1.2430 COc1ccc(cc1[N+](=O)[O-])CCl 34a_200000683477_200000210301 [0,2,0,0,0,0|0,0,0]=2 1504 B13R1.2430 COc1ccc(cc1[N+](=O)[O-])CCl 7a_200000683477_200000210301 [0,2,0,0,0,0|0,0,0]=2 1505 B13R1.2430 COc1ccc(cc1[N+](=O)[O-])CO 34a_100011216038_200000210301 [0,2,0,0,0,0|0,0,0]=2 1506 B13R1.2430 COc1ccc(cc1[N+](=O)[O-])CO 7a_100011216038_200000210301 [0,2,0,0,0,0|0,0,0]=2 1507 B13R1.2430 COc1ccc(cc1[N+](=O)[O-])N[13CH3] 34a_100000042093_200025704644 [0,2,0,0,0,0|0,0,0]=2 1508 B13R1.2430 COc1ccc(cc1[N+](=O)[O-])O[13CH3] 34a_100000716441_200025704644 [0,2,0,0,0,0|0,0,0]=2 1509 B13R1.2430 COc1ccc(cc1[N+](=O)[O-])O[13CH3] 7a_100000716441_200025704644 [0,2,0,0,0,0|0,0,0]=2 1510 B13R1.2430 [13CH3]Nc1ccc(cc1[N+](=O)[O-])C#N 7a_100000210007_200025704644 [0,2,0,0,0,0|1,0,1]=4 1511 B13R1.2430 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])CO 34a_200009888365_200025704644 [0,2,0,0,0,0|0,0,0]=2 1512 B13R1.2430 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])CO 7a_200009888365_200025704644 [0,2,0,0,0,0|0,0,0]=2 1513 B13R1.2430 [13CH3]Oc1ccc(cc1[N+](=O)[O-])C#N 34a_100000188248_200025704644 [0,2,0,0,0,0|0,0,1]=3 1514 B13R1.2430 [13CH3]Oc1ccc(cc1[N+](=O)[O-])C#N 7a_100000188248_200025704644 [0,2,0,0,0,0|0,0,1]=3 1515 B13R1.2430 [13CH3]Oc1ccc(cc1[N+](=O)[O-])CBr 34a_100010149780_200025704644 [0,2,0,0,0,0|0,0,0]=2 1516 B13R1.2430 [13CH3]Oc1ccc(cc1[N+](=O)[O-])CBr 7a_100010149780_200025704644 [0,2,0,0,0,0|0,0,0]=2 1517 B13R1.2430 [13CH3]Oc1ccc(cc1[N+](=O)[O-])CCl 34a_200000683477_200025704644 [0,2,0,0,0,0|0,0,0]=2 1518 B13R1.2430 [13CH3]Oc1ccc(cc1[N+](=O)[O-])CCl 7a_200000683477_200025704644 [0,2,0,0,0,0|0,0,0]=2 1519 B13R1.2430 [13CH3]Oc1ccc(cc1[N+](=O)[O-])CO 34a_100011216038_200025704644 [0,2,0,0,0,0|0,0,0]=2 1520 B13R1.2430 [13CH3]Oc1ccc(cc1[N+](=O)[O-])CO 7a_100011216038_200025704644 [0,2,0,0,0,0|0,0,0]=2 1521 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Br)C 7a_100011659362_200025704644 [0,2,0,0,0,0|2,0,0]=4 1522 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])C)C 34a_100000188341_200025704644 [0,2,0,0,0,0|2,0,0]=4 1523 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])C)C 7a_100000188341_200025704644 [0,2,0,0,0,0|2,0,0]=4 1524 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Cl)C 34a_100010659243_200025704644 [0,2,0,0,0,0|2,0,0]=4 1525 B13R1.3255 CC(=O)c1cc(cc(c1O[13CH3])Cl)C 7a_100010659243_200025704644 [0,2,0,0,0,0|2,0,0]=4 1526 B13R1.3255 CNc1c(cc(cc1[N+](=O)[O-])F)F 34a_100000685770_200000210301 [0,2,0,0,0,0|2,0,0]=4 1527 B13R1.3255 COc1c(cc(cc1C(=O)C)C)Br 7a_100011659362_200000210301 [0,2,0,0,0,0|2,0,0]=4 1528 B13R1.3255 COc1c(cc(cc1C(=O)C)C)C 34a_100000188341_200000210301 [0,2,0,0,0,0|2,0,0]=4 1529 B13R1.3255 COc1c(cc(cc1C(=O)C)C)C 7a_100000188341_200000210301 [0,2,0,0,0,0|2,0,0]=4 1530 B13R1.3255 COc1c(cc(cc1C(=O)C)C)Cl 34a_100010659243_200000210301 [0,2,0,0,0,0|2,0,0]=4 1531 B13R1.3255 COc1c(cc(cc1C(=O)C)C)Cl 7a_100010659243_200000210301 [0,2,0,0,0,0|2,0,0]=4 1532 B13R1.3255 COc1c(cc(cc1[N+](=O)[O-])Br)C 34a_100000684574_200000210301 [0,2,0,0,0,0|1,0,0]=3 1533 B13R1.3255 COc1c(cc(cc1[N+](=O)[O-])Br)C 7a_100000684574_200000210301 [0,2,0,0,0,0|1,0,0]=3 1534 B13R1.3255 COc1c(cc(cc1[N+](=O)[O-])Br)Cl 7a_100000717539_200000210301 [0,2,0,0,0,0|1,0,0]=3 1535 B13R1.3255 COc1c(cc(cc1[N+](=O)[O-])Br)F 34a_100011218681_200000210301 [0,2,0,0,0,0|1,0,0]=3 1536 B13R1.3255 COc1c(cc(cc1[N+](=O)[O-])Br)F 7a_100011218681_200000210301 [0,2,0,0,0,0|1,0,0]=3 1537 B13R1.3255 COc1c(cc(cc1[N+](=O)[O-])C)C 7a_100000195569_200000210301 [0,2,0,0,0,0|0,0,0]=2 1538 B13R1.3255 COc1c(cc(cc1[N+](=O)[O-])F)Br 34a_100000244768_200000210301 [0,2,0,0,0,0|1,0,0]=3 1539 B13R1.3255 COc1c(cc(cc1[N+](=O)[O-])F)C 34a_100010988975_200000210301 [0,2,0,0,0,0|1,0,0]=3 1540 B13R1.3255 COc1c(cc(cc1[N+](=O)[O-])F)C 7a_100010988975_200000210301 [0,2,0,0,0,0|1,0,0]=3 1541 B13R1.3255 COc1c(cc(cc1[N+](=O)[O-])F)F 34a_100011217088_200000210301 [0,2,0,0,0,0|1,0,0]=3 1542 B13R1.3255 COc1c(cc(cc1[N+](=O)[O-])F)F 7a_100011217088_200000210301 [0,2,0,0,0,0|1,0,0]=3 1543 B13R1.3255 Cc1cc(c(c(c1)[N+](=O)[O-])O[13CH3])C 7a_100000195569_200025704644 [0,2,0,0,0,0|0,0,0]=2 1544 B13R1.3255 Cc1cc(cc(c1O[13CH3])[N+](=O)[O-])Br 34a_100000684574_200025704644 [0,2,0,0,0,0|1,0,0]=3 1545 B13R1.3255 Cc1cc(cc(c1O[13CH3])[N+](=O)[O-])Br 7a_100000684574_200025704644 [0,2,0,0,0,0|1,0,0]=3 1546 B13R1.3255 Cc1cc(cc(c1O[13CH3])[N+](=O)[O-])F 34a_100010988975_200025704644 [0,2,0,0,0,0|1,0,0]=3 1547 B13R1.3255 Cc1cc(cc(c1O[13CH3])[N+](=O)[O-])F 7a_100010988975_200025704644 [0,2,0,0,0,0|1,0,0]=3 1548 B13R1.3255 [13CH3]Nc1c(cc(cc1[N+](=O)[O-])F)F 34a_100000685770_200025704644 [0,2,0,0,0,0|2,0,0]=4 1549 B13R1.3255 [13CH3]Oc1c(cc(cc1[N+](=O)[O-])Br)Cl 7a_100000717539_200025704644 [0,2,0,0,0,0|1,0,0]=3 1550 B13R1.3255 [13CH3]Oc1c(cc(cc1[N+](=O)[O-])Br)F 34a_100011218681_200025704644 [0,2,0,0,0,0|1,0,0]=3 1551 B13R1.3255 [13CH3]Oc1c(cc(cc1[N+](=O)[O-])Br)F 7a_100011218681_200025704644 [0,2,0,0,0,0|1,0,0]=3 1552 B13R1.3255 [13CH3]Oc1c(cc(cc1[N+](=O)[O-])F)Br 34a_100000244768_200025704644 [0,2,0,0,0,0|1,0,0]=3 1553 B13R1.3255 [13CH3]Oc1c(cc(cc1[N+](=O)[O-])F)F 34a_100011217088_200025704644 [0,2,0,0,0,0|1,0,0]=3 1554 B13R1.3255 [13CH3]Oc1c(cc(cc1[N+](=O)[O-])F)F 7a_100011217088_200025704644 [0,2,0,0,0,0|1,0,0]=3 1555 B13R1.98 CS(=O)(=O)c1cc(ccc1O)S[13CH3] 62a_200015712519_200025704644 [0,2,0,0,0,0|1,0,1]=4 1556 B13R1.98 CSc1ccc(c(c1)S(=O)(=O)C)O 62a_200015712519_200000210301 [0,2,0,0,0,0|1,0,1]=4 1557 B13R1.651 CC(=O)c1cc(c(cc1O)C)S[13CH3] 62a_200010233951_200025704644 [0,2,0,0,0,0|2,0,0]=4 1558 B13R1.651 CC(=O)c1cc(c(cc1O)F)S[13CH3] 62a_100000691652_200025704644 [0,2,0,0,0,0|2,0,0]=4 1559 B13R1.651 CNc1cc(c(cc1Br)C)[N+](=O)[O-] 7a_100000693839_200000210301 [0,2,0,0,0,0|1,0,0]=3 1560 B13R1.651 CNc1cc(c(cc1Br)F)[N+](=O)[O-] 7a_100010091559_200000210301 [0,2,0,0,0,0|1,0,0]=3 1561 B13R1.651 CNc1cc(c(cc1C)Br)[N+](=O)[O-] 7a_100009812448_200000210301 [0,2,0,0,0,0|1,0,0]=3 1562 B13R1.651 CNc1cc(c(cc1C)C)[N+](=O)[O-] 7a_100000009308_200000210301 [0,2,0,0,0,0|1,0,0]=3 1563 B13R1.651 CNc1cc(c(cc1C)F)[N+](=O)[O-] 7a_100016124316_200000210301 [0,2,0,0,0,0|1,0,0]=3 1564 B13R1.651 CNc1cc(c(cc1Cl)Br)[N+](=O)[O-] 7a_100010062371_200000210301 [0,2,0,0,0,0|1,0,0]=3 1565 B13R1.651 CNc1cc(c(cc1Cl)F)[N+](=O)[O-] 7a_100020643080_200000210301 [0,2,0,0,0,0|1,0,0]=3 1566 B13R1.651 CNc1cc(c(cc1F)Br)[N+](=O)[O-] 7a_100009816899_200000210301 [0,2,0,0,0,0|1,0,0]=3 1567 B13R1.651 CNc1cc(c(cc1F)C)[N+](=O)[O-] 34a_100000695721_200000210301 [0,2,0,0,0,0|1,0,0]=3 1568 B13R1.651 CNc1cc(c(cc1F)C)[N+](=O)[O-] 7a_100000695721_200000210301 [0,2,0,0,0,0|1,0,0]=3 1569 B13R1.651 CNc1cc(c(cc1F)Cl)[N+](=O)[O-] 7a_100000081013_200000210301 [0,2,0,0,0,0|1,0,0]=3 1570 B13R1.651 CNc1cc(c(cc1F)F)[N+](=O)[O-] 34a_100000735656_200000210301 [0,2,0,0,0,0|1,0,0]=3 1571 B13R1.651 CNc1cc(c(cc1F)F)[N+](=O)[O-] 7a_100000735656_200000210301 [0,2,0,0,0,0|1,0,0]=3 1572 B13R1.651 CNc1cc(c(cc1O)F)[N+](=O)[O-] 7a_200015898590_200000210301 [0,2,0,0,0,0|1,0,0]=3 1573 B13R1.651 COc1cc(c(cc1Br)C)[N+](=O)[O-] 7a_100013414156_200000210301 [0,2,0,0,0,0|1,0,0]=3 1574 B13R1.651 COc1cc(c(cc1Br)Cl)[N+](=O)[O-] 7a_100020682783_200000210301 [0,2,0,0,0,0|1,0,0]=3 1575 B13R1.651 COc1cc(c(cc1Br)F)[N+](=O)[O-] 34a_100009816974_200000210301 [0,2,0,0,0,0|1,0,0]=3 1576 B13R1.651 COc1cc(c(cc1Br)F)[N+](=O)[O-] 7a_100009816974_200000210301 [0,2,0,0,0,0|1,0,0]=3 1577 B13R1.651 COc1cc(c(cc1C)F)[N+](=O)[O-] 34a_100000086363_200000210301 [0,2,0,0,0,0|1,0,0]=3 1578 B13R1.651 COc1cc(c(cc1C)F)[N+](=O)[O-] 7a_100000086363_200000210301 [0,2,0,0,0,0|1,0,0]=3 1579 B13R1.651 COc1cc(c(cc1Cl)Cl)[N+](=O)[O-] 7a_100000038071_200000210301 [0,2,0,0,0,0|1,0,0]=3 1580 B13R1.651 COc1cc(c(cc1Cl)F)[N+](=O)[O-] 34a_100000042157_200000210301 [0,2,0,0,0,0|1,0,0]=3 1581 B13R1.651 COc1cc(c(cc1Cl)F)[N+](=O)[O-] 7a_100000042157_200000210301 [0,2,0,0,0,0|1,0,0]=3 1582 B13R1.651 COc1cc(c(cc1F)Br)[N+](=O)[O-] 34a_100010235072_200000210301 [0,2,0,0,0,0|1,0,0]=3 1583 B13R1.651 COc1cc(c(cc1F)Br)[N+](=O)[O-] 7a_100010235072_200000210301 [0,2,0,0,0,0|1,0,0]=3 1584 B13R1.651 COc1cc(c(cc1F)C)[N+](=O)[O-] 34a_100010732485_200000210301 [0,2,0,0,0,0|1,0,0]=3 1585 B13R1.651 COc1cc(c(cc1F)C)[N+](=O)[O-] 7a_100010732485_200000210301 [0,2,0,0,0,0|1,0,0]=3 1586 B13R1.651 COc1cc(c(cc1F)F)[N+](=O)[O-] 34a_100011934972_200000210301 [0,2,0,0,0,0|1,0,0]=3 1587 B13R1.651 COc1cc(c(cc1F)F)[N+](=O)[O-] 7a_100011934972_200000210301 [0,2,0,0,0,0|1,0,0]=3 1588 B13R1.651 COc1cc(c(cc1N)Cl)[N+](=O)[O-] 7a_100000211395_200000210301 [0,2,0,0,0,0|1,0,0]=3 1589 B13R1.651 CSc1cc(c(cc1C)O)C(=O)C 62a_200010233951_200000210301 [0,2,0,0,0,0|2,0,0]=4 1590 B13R1.651 CSc1cc(c(cc1F)O)C(=O)C 62a_100000691652_200000210301 [0,2,0,0,0,0|2,0,0]=4 1591 B13R1.651 Cc1cc(c(cc1N[13CH3])[N+](=O)[O-])Br 7a_100009812448_200025704644 [0,2,0,0,0,0|1,0,0]=3 1592 B13R1.651 Cc1cc(c(cc1N[13CH3])[N+](=O)[O-])C 7a_100000009308_200025704644 [0,2,0,0,0,0|1,0,0]=3 1593 B13R1.651 Cc1cc(c(cc1N[13CH3])[N+](=O)[O-])F 7a_100016124316_200025704644 [0,2,0,0,0,0|1,0,0]=3 1594 B13R1.651 Cc1cc(c(cc1O[13CH3])[N+](=O)[O-])F 34a_100000086363_200025704644 [0,2,0,0,0,0|1,0,0]=3 1595 B13R1.651 Cc1cc(c(cc1O[13CH3])[N+](=O)[O-])F 7a_100000086363_200025704644 [0,2,0,0,0,0|1,0,0]=3 1596 B13R1.651 Cc1cc(c(cc1[N+](=O)[O-])N[13CH3])Br 7a_100000693839_200025704644 [0,2,0,0,0,0|1,0,0]=3 1597 B13R1.651 Cc1cc(c(cc1[N+](=O)[O-])N[13CH3])F 34a_100000695721_200025704644 [0,2,0,0,0,0|1,0,0]=3 1598 B13R1.651 Cc1cc(c(cc1[N+](=O)[O-])N[13CH3])F 7a_100000695721_200025704644 [0,2,0,0,0,0|1,0,0]=3 1599 B13R1.651 Cc1cc(c(cc1[N+](=O)[O-])O[13CH3])Br 7a_100013414156_200025704644 [0,2,0,0,0,0|1,0,0]=3 1600 B13R1.651 Cc1cc(c(cc1[N+](=O)[O-])O[13CH3])F 34a_100010732485_200025704644 [0,2,0,0,0,0|1,0,0]=3 1601 B13R1.651 Cc1cc(c(cc1[N+](=O)[O-])O[13CH3])F 7a_100010732485_200025704644 [0,2,0,0,0,0|1,0,0]=3 1602 B13R1.651 [13CH3]Nc1cc(c(cc1Br)F)[N+](=O)[O-] 7a_100010091559_200025704644 [0,2,0,0,0,0|1,0,0]=3 1603 B13R1.651 [13CH3]Nc1cc(c(cc1Cl)Br)[N+](=O)[O-] 7a_100010062371_200025704644 [0,2,0,0,0,0|1,0,0]=3 1604 B13R1.651 [13CH3]Nc1cc(c(cc1Cl)F)[N+](=O)[O-] 7a_100020643080_200025704644 [0,2,0,0,0,0|1,0,0]=3 1605 B13R1.651 [13CH3]Nc1cc(c(cc1F)Br)[N+](=O)[O-] 7a_100009816899_200025704644 [0,2,0,0,0,0|1,0,0]=3 1606 B13R1.651 [13CH3]Nc1cc(c(cc1F)Cl)[N+](=O)[O-] 7a_100000081013_200025704644 [0,2,0,0,0,0|1,0,0]=3 1607 B13R1.651 [13CH3]Nc1cc(c(cc1F)F)[N+](=O)[O-] 34a_100000735656_200025704644 [0,2,0,0,0,0|1,0,0]=3 1608 B13R1.651 [13CH3]Nc1cc(c(cc1F)F)[N+](=O)[O-] 7a_100000735656_200025704644 [0,2,0,0,0,0|1,0,0]=3 1609 B13R1.651 [13CH3]Nc1cc(c(cc1O)F)[N+](=O)[O-] 7a_200015898590_200025704644 [0,2,0,0,0,0|1,0,0]=3 1610 B13R1.651 [13CH3]Oc1cc(c(cc1Br)Cl)[N+](=O)[O-] 7a_100020682783_200025704644 [0,2,0,0,0,0|1,0,0]=3 1611 B13R1.651 [13CH3]Oc1cc(c(cc1Br)F)[N+](=O)[O-] 34a_100009816974_200025704644 [0,2,0,0,0,0|1,0,0]=3 1612 B13R1.651 [13CH3]Oc1cc(c(cc1Br)F)[N+](=O)[O-] 7a_100009816974_200025704644 [0,2,0,0,0,0|1,0,0]=3 1613 B13R1.651 [13CH3]Oc1cc(c(cc1Cl)Cl)[N+](=O)[O-] 7a_100000038071_200025704644 [0,2,0,0,0,0|1,0,0]=3 1614 B13R1.651 [13CH3]Oc1cc(c(cc1Cl)F)[N+](=O)[O-] 34a_100000042157_200025704644 [0,2,0,0,0,0|1,0,0]=3 1615 B13R1.651 [13CH3]Oc1cc(c(cc1Cl)F)[N+](=O)[O-] 7a_100000042157_200025704644 [0,2,0,0,0,0|1,0,0]=3 1616 B13R1.651 [13CH3]Oc1cc(c(cc1F)Br)[N+](=O)[O-] 34a_100010235072_200025704644 [0,2,0,0,0,0|1,0,0]=3 1617 B13R1.651 [13CH3]Oc1cc(c(cc1F)Br)[N+](=O)[O-] 7a_100010235072_200025704644 [0,2,0,0,0,0|1,0,0]=3 1618 B13R1.651 [13CH3]Oc1cc(c(cc1F)F)[N+](=O)[O-] 34a_100011934972_200025704644 [0,2,0,0,0,0|1,0,0]=3 1619 B13R1.651 [13CH3]Oc1cc(c(cc1F)F)[N+](=O)[O-] 7a_100011934972_200025704644 [0,2,0,0,0,0|1,0,0]=3 1620 B13R1.651 [13CH3]Oc1cc(c(cc1N)Cl)[N+](=O)[O-] 7a_100000211395_200025704644 [0,2,0,0,0,0|1,0,0]=3 1621 B13R1.652 C=Cc1cc(c(cc1C)C(=O)C)O 271570a_100011290941_100009816031 [0,2,0,0,0,0|2,0,0]=4 1622 B13R1.652 CC(=O)c1cc(c(cc1O)S[13CH3])C 62a_100009816031_200025704644 [0,2,0,0,0,0|2,0,0]=4 1623 B13R1.652 CNc1cc(c(cc1Br)[N+](=O)[O-])F 7a_100010371101_200000210301 [0,2,0,0,0,0|2,0,0]=4 1624 B13R1.652 CNc1cc(c(cc1C)[N+](=O)[O-])Br 7a_200010826999_200000210301 [0,2,0,0,0,0|1,0,0]=3 1625 B13R1.652 CNc1cc(c(cc1C)[N+](=O)[O-])C 7a_106256046237_200000210301 [0,2,0,0,0,0|1,0,0]=3 1626 B13R1.652 CNc1cc(c(cc1C)[N+](=O)[O-])Cl 7a_100000701678_200000210301 [0,2,0,0,0,0|1,0,0]=3 1627 B13R1.652 CNc1cc(c(cc1C)[N+](=O)[O-])F 7a_100000085368_200000210301 [0,2,0,0,0,0|1,0,0]=3 1628 B13R1.652 CNc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100000033050_200000210301 [0,2,0,0,0,0|2,0,0]=4 1629 B13R1.652 CNc1cc(c(cc1Cl)[N+](=O)[O-])F 7a_100011218492_200000210301 [0,2,0,0,0,0|2,0,0]=4 1630 B13R1.652 CNc1cc(c(cc1F)[N+](=O)[O-])F 34a_100000071221_200000210301 [0,2,0,0,0,0|2,0,0]=4 1631 B13R1.652 CNc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000071221_200000210301 [0,2,0,0,0,0|2,0,0]=4 1632 B13R1.652 COc1cc(c(cc1Br)[N+](=O)[O-])C 7a_200012359939_200000210301 [0,2,0,0,0,0|2,0,0]=4 1633 B13R1.652 COc1cc(c(cc1C)[N+](=O)[O-])C 7a_100000736305_200000210301 [0,2,0,0,0,0|1,0,0]=3 1634 B13R1.652 COc1cc(c(cc1Cl)[N+](=O)[O-])C 34a_200000693809_200000210301 [0,2,0,0,0,0|2,0,0]=4 1635 B13R1.652 COc1cc(c(cc1Cl)[N+](=O)[O-])C 7a_200000693809_200000210301 [0,2,0,0,0,0|2,0,0]=4 1636 B13R1.652 COc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100012354867_200000210301 [0,2,0,0,0,0|2,0,0]=4 1637 B13R1.652 COc1cc(c(cc1F)[N+](=O)[O-])Cl 34a_100015761126_200000210301 [0,2,0,0,0,0|2,0,0]=4 1638 B13R1.652 COc1cc(c(cc1F)[N+](=O)[O-])Cl 7a_100015761126_200000210301 [0,2,0,0,0,0|2,0,0]=4 1639 B13R1.652 COc1cc(c(cc1F)[N+](=O)[O-])F 34a_100000042863_200000210301 [0,2,0,0,0,0|2,0,0]=4 1640 B13R1.652 COc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000042863_200000210301 [0,2,0,0,0,0|2,0,0]=4 1641 B13R1.652 COc1cc(c(cc1N)[N+](=O)[O-])F 34a_200015898590_200000210301 [0,2,0,0,0,0|2,0,0]=4 1642 B13R1.652 COc1cc(c(cc1N)[N+](=O)[O-])F 7a_200015898590_200000210301 [0,2,0,0,0,0|2,0,0]=4 1643 B13R1.652 CSc1cc(c(cc1C)C(=O)C)O 62a_100009816031_200000210301 [0,2,0,0,0,0|2,0,0]=4 1644 B13R1.652 Cc1cc(c(cc1N[13CH3])Br)[N+](=O)[O-] 7a_200010826999_200025704644 [0,2,0,0,0,0|1,0,0]=3 1645 B13R1.652 Cc1cc(c(cc1N[13CH3])C)[N+](=O)[O-] 7a_106256046237_200025704644 [0,2,0,0,0,0|1,0,0]=3 1646 B13R1.652 Cc1cc(c(cc1N[13CH3])Cl)[N+](=O)[O-] 7a_100000701678_200025704644 [0,2,0,0,0,0|1,0,0]=3 1647 B13R1.652 Cc1cc(c(cc1N[13CH3])F)[N+](=O)[O-] 7a_100000085368_200025704644 [0,2,0,0,0,0|1,0,0]=3 1648 B13R1.652 Cc1cc(c(cc1O[13CH3])C)[N+](=O)[O-] 7a_100000736305_200025704644 [0,2,0,0,0,0|1,0,0]=3 1649 B13R1.652 Cc1cc(c(cc1[N+](=O)[O-])Br)O[13CH3] 7a_200012359939_200025704644 [0,2,0,0,0,0|2,0,0]=4 1650 B13R1.652 Cc1cc(c(cc1[N+](=O)[O-])Cl)O[13CH3] 34a_200000693809_200025704644 [0,2,0,0,0,0|2,0,0]=4 1651 B13R1.652 Cc1cc(c(cc1[N+](=O)[O-])Cl)O[13CH3] 7a_200000693809_200025704644 [0,2,0,0,0,0|2,0,0]=4 1652 B13R1.652 [13CH3]Nc1cc(c(cc1Br)[N+](=O)[O-])F 7a_100010371101_200025704644 [0,2,0,0,0,0|2,0,0]=4 1653 B13R1.652 [13CH3]Nc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100000033050_200025704644 [0,2,0,0,0,0|2,0,0]=4 1654 B13R1.652 [13CH3]Nc1cc(c(cc1Cl)[N+](=O)[O-])F 7a_100011218492_200025704644 [0,2,0,0,0,0|2,0,0]=4 1655 B13R1.652 [13CH3]Nc1cc(c(cc1F)[N+](=O)[O-])F 34a_100000071221_200025704644 [0,2,0,0,0,0|2,0,0]=4 1656 B13R1.652 [13CH3]Nc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000071221_200025704644 [0,2,0,0,0,0|2,0,0]=4 1657 B13R1.652 [13CH3]Oc1cc(c(cc1Cl)[N+](=O)[O-])Cl 7a_100012354867_200025704644 [0,2,0,0,0,0|2,0,0]=4 1658 B13R1.652 [13CH3]Oc1cc(c(cc1F)[N+](=O)[O-])Cl 34a_100015761126_200025704644 [0,2,0,0,0,0|2,0,0]=4 1659 B13R1.652 [13CH3]Oc1cc(c(cc1F)[N+](=O)[O-])Cl 7a_100015761126_200025704644 [0,2,0,0,0,0|2,0,0]=4 1660 B13R1.652 [13CH3]Oc1cc(c(cc1F)[N+](=O)[O-])F 34a_100000042863_200025704644 [0,2,0,0,0,0|2,0,0]=4 1661 B13R1.652 [13CH3]Oc1cc(c(cc1F)[N+](=O)[O-])F 7a_100000042863_200025704644 [0,2,0,0,0,0|2,0,0]=4 1662 B13R1.652 [13CH3]Oc1cc(c(cc1N)[N+](=O)[O-])F 34a_200015898590_200025704644 [0,2,0,0,0,0|2,0,0]=4 1663 B13R1.652 [13CH3]Oc1cc(c(cc1N)[N+](=O)[O-])F 7a_200015898590_200025704644 [0,2,0,0,0,0|2,0,0]=4 1664 B13R1.1807 CCC(=O)c1cc(c(cc1O)C)C 1458a_100009831561_100000210202 [0,2,0,0,0,0|2,0,0]=4 1665 B13R1.1807 CNC(=O)c1cc(c(cc1O)C)C 240690a_100102657272_100009831561 [0,2,0,0,0,0|2,0,0]=4 1666 B13R1.1807 CNC(=O)c1cc(c(cc1O)C)C 527a_100102657272_100009831561 [0,2,0,0,0,0|2,0,0]=4 1667 B13R1.1807 COC(=O)c1cc(c(cc1O)F)C 271570a_203496583355_100015451887 [0,2,0,0,0,0|1,0,1]=4 1668 B13R1.1807 Cc1cc(c(cc1C)C(=O)CF)O 1458a_100009831561_100015361967 [0,2,0,0,0,0|2,0,0]=4 1669 B13R1.446 C#CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000184674 [0,2,0,0,0,0|2,0,0]=4 1670 B13R1.446 C=CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210623 [0,2,0,0,0,0|2,0,0]=4 1671 B13R1.446 CCCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210303 [0,2,0,0,0,0|2,0,0]=4 1672 B13R1.446 CCNC(=O)c1cc(ccc1O)C 240690a_100015525214_100000229998 [0,2,0,0,0,0|2,0,0]=4 1673 B13R1.446 CCNC(=O)c1cc(ccc1O)C 527a_100015525214_100000229998 [0,2,0,0,0,0|2,0,0]=4 1674 B13R1.446 CCOC(=O)c1cc(ccc1O)C 271570a_203496583355_200012353901 [0,2,0,0,0,0|1,0,1]=4 1675 B13R1.446 CNNC(=O)c1cc(ccc1O)C 22a_100016993582_100000229998 [0,2,0,0,0,0|2,0,0]=4 1676 B13R1.446 Cc1ccc(c(c1)C(=O)CC#N)O 1458a_100000229998_100011214920 [0,2,0,0,0,0|2,0,0]=4 1677 B13R1.446 Cc1ccc(c(c1)C(=O)CCF)O 1458a_100000229998_100011217306 [0,2,0,0,0,0|2,0,0]=4 1678 B13R1.446 Cc1ccc(c(c1)C(=O)CCO)O 1458a_100000229998_100000211926 [0,2,0,0,0,0|1,0,1]=4 1679 B13R1.1822 COC(=O)c1c(ccc(c1F)C)O 271570a_203496583355_100010782293 [0,2,0,0,0,0|1,0,1]=4 1680 B13R1.2431 CCC(=O)c1cc(ccc1O)CC 1458a_200000748397_100000210202 [0,2,0,0,0,0|2,0,0]=4 1681 B13R1.2431 CCC(=O)c1cc(ccc1O)CO 1458a_200000045694_100000210202 [0,2,0,0,0,0|2,0,0]=4 1682 B13R1.2431 CCC(=O)c1cc(ccc1O)OC 1458a_100000211986_100000210202 [0,2,0,0,0,0|2,0,0]=4 1683 B13R1.2431 CCc1ccc(c(c1)C(=O)CF)O 1458a_200000748397_100015361967 [0,2,0,0,0,0|2,0,0]=4 1684 B13R1.2431 CCc1ccc(c(c1)C(=O)NC)O 240690a_100102657272_200000748397 [0,2,0,0,0,0|2,0,0]=4 1685 B13R1.2431 CCc1ccc(c(c1)C(=O)NC)O 527a_100102657272_200000748397 [0,2,0,0,0,0|2,0,0]=4 1686 B13R1.2431 CNC(=O)c1cc(ccc1O)CO 240690a_100102657272_200000045694 [0,2,0,0,0,0|2,0,0]=4 1687 B13R1.2431 CNC(=O)c1cc(ccc1O)OC 240690a_100102657272_100000211986 [0,2,0,0,0,0|2,0,0]=4 1688 B13R1.2431 CNC(=O)c1cc(ccc1O)OC 527a_100102657272_100000211986 [0,2,0,0,0,0|2,0,0]=4 1689 B13R1.2431 COC(=O)c1cc(ccc1O)CN 271570a_203496583355_100016988414 [0,2,0,0,0,0|1,0,1]=4 1690 B13R1.2431 COC(=O)c1cc(ccc1O)OC 271570a_203496583355_100000151459 [0,2,0,0,0,0|1,0,1]=4 1691 B13R1.2431 COC(=O)c1cc(ccc1O)SC 62a_200000210301_100000149868 [0,2,0,0,0,0|1,0,1]=4 1692 B13R1.2431 COC(=O)c1cc(ccc1O)S[13CH3] 62a_200025704644_100000149868 [0,2,0,0,0,0|1,0,1]=4 1693 B13R1.2431 COc1ccc(c(c1)C(=O)CF)O 1458a_100000211986_100015361967 [0,2,0,0,0,0|2,0,0]=4 1694 B13R1.2431 COc1ccc(c(c1)C(=O)NN)O 271570a_203496583355_100000189949 [0,2,0,0,0,0|2,0,0]=4 1695 B13R1.2431 CSc1ccc(c(c1)C(=O)NN)O 62a_200000210301_100000193350 [0,2,0,0,0,0|2,0,0]=4 1696 B13R1.2431 O=C(CF)c1cc(ccc1O)CO 1458a_200000045694_100015361967 [0,2,0,0,0,0|2,0,0]=4 1697 B13R1.2431 [13CH3]Sc1ccc(c(c1)C(=O)NN)O 62a_200025704644_100000193350 [0,2,0,0,0,0|2,0,0]=4 1698 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)C)O 271570a_100000694244_100000212127 [0,2,0,0,0,0|2,0,0]=4 1699 B13R1.13 C=C(C)c1ccc(c(c1)C(=O)N)O 271570a_100000694244_100000192807 [0,2,0,0,0,0|2,0,0]=4 1700 B13R1.13 CC(=O)c1ccc(c(c1)[N+](=O)[O-])Br 1458a_100000180175_200000210301 [0,2,0,0,0,0|1,0,0]=3 1701 B13R1.13 CC(=O)c1ccc(c(c1)[N+](=O)[O-])C 1458a_100000185770_200000210301 [0,2,0,0,0,0|1,0,0]=3 1702 B13R1.13 CC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl 1458a_100000210081_200000210301 [0,2,0,0,0,0|1,0,0]=3 1703 B13R1.13 CC(=O)c1ccc(c(c1)[N+](=O)[O-])I 1458a_100000750634_200000210301 [0,2,0,0,0,0|1,0,0]=3 1704 B13R1.13 CC(=O)c1ccc(c(c1)[N+](=O)[O-])O 1458a_100000744589_200000210301 [0,2,0,0,0,0|0,0,0]=2 1705 B13R1.13 Cc1ccc(cc1[N+](=O)[O-])C(=O)[13CH3] 1458a_100000185770_200025704644 [0,2,0,0,0,0|1,0,0]=3 1706 B13R1.13 [13CH3]C(=O)c1ccc(c(c1)[N+](=O)[O-])Br 1458a_100000180175_200025704644 [0,2,0,0,0,0|1,0,0]=3 1707 B13R1.13 [13CH3]C(=O)c1ccc(c(c1)[N+](=O)[O-])Cl 1458a_100000210081_200025704644 [0,2,0,0,0,0|1,0,0]=3 1708 B13R1.13 [13CH3]C(=O)c1ccc(c(c1)[N+](=O)[O-])I 1458a_100000750634_200025704644 [0,2,0,0,0,0|1,0,0]=3 1709 B13R1.13 [13CH3]C(=O)c1ccc(c(c1)[N+](=O)[O-])O 1458a_100000744589_200025704644 [0,2,0,0,0,0|0,0,0]=2 1710 B13R1.387 CC=Cc1ccc(c(c1)C(=O)C)O 271570a_100016259895_100000212127 [0,2,0,0,0,0|2,0,0]=4 1711 B13R1.387 CC=Cc1ccc(c(c1)C(=O)N)O 271570a_100016259895_100000192807 [0,2,0,0,0,0|2,0,0]=4 1712 B13R1.387 CCNc1ccc(c(c1)[N+](=O)[O-])C 34a_100000210030_100000210202 [0,2,0,0,0,0|1,0,0]=3 1713 B13R1.387 CCNc1ccc(c(c1)[N+](=O)[O-])F 34a_100000185763_100000210202 [0,2,0,0,0,0|1,0,0]=3 1714 B13R1.387 CCOc1ccc(c(c1)C(=O)C)O 1458a_200011255221_200000210301 [0,2,0,0,0,0|2,0,0]=4 1715 B13R1.387 CCOc1ccc(c(c1)C(=O)[13CH3])O 1458a_200011255221_200025704644 [0,2,0,0,0,0|2,0,0]=4 1716 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])Br 34a_100012232398_100000210202 [0,2,0,0,0,0|1,0,0]=3 1717 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])Br 7a_100012232398_100000210202 [0,2,0,0,0,0|1,0,0]=3 1718 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])C 34a_100000742313_100000210202 [0,2,0,0,0,0|1,0,0]=3 1719 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])C 7a_100000742313_100000210202 [0,2,0,0,0,0|1,0,0]=3 1720 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])Cl 34a_100000718020_100000210202 [0,2,0,0,0,0|1,0,0]=3 1721 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000718020_100000210202 [0,2,0,0,0,0|1,0,0]=3 1722 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])F 34a_100011294462_100000210202 [0,2,0,0,0,0|1,0,0]=3 1723 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])F 7a_100011294462_100000210202 [0,2,0,0,0,0|1,0,0]=3 1724 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])I 7a_100000031453_100000210202 [0,2,0,0,0,0|1,0,0]=3 1725 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])N 34a_100000740891_100000210202 [0,2,0,0,0,0|1,0,0]=3 1726 B13R1.387 CCOc1ccc(c(c1)[N+](=O)[O-])N 7a_100000740891_100000210202 [0,2,0,0,0,0|1,0,0]=3 1727 B13R1.387 CCSc1ccc(c(c1)C(=O)N)O 62a_100000192807_100000210202 [0,2,0,0,0,0|2,0,0]=4 1728 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])Br 2230a_106832991635_100000693152 [0,2,0,0,0,0|1,0,0]=3 1729 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])Br 26a_100102657272_100012232398 [0,2,0,0,0,0|1,0,0]=3 1730 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])Br 34a_100102657272_100000693152 [0,2,0,0,0,0|1,0,0]=3 1731 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])Br 7a_106832991635_100000693152 [0,2,0,0,0,0|1,0,0]=3 1732 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])C 207a_100102657272_100000183852 [0,2,0,0,0,0|1,0,0]=3 1733 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])C 2230a_106832991635_100000042939 [0,2,0,0,0,0|1,0,0]=3 1734 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])C 270004a_106832991635_100000183852 [0,2,0,0,0,0|1,0,0]=3 1735 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])C 34a_100102657272_100000042939 [0,2,0,0,0,0|1,0,0]=3 1736 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])C 7a_106832991635_100000042939 [0,2,0,0,0,0|1,0,0]=3 1737 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])Cl 26a_100102657272_100000718020 [0,2,0,0,0,0|1,0,0]=3 1738 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])F 2230a_106832991635_100009816672 [0,2,0,0,0,0|1,0,0]=3 1739 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])F 34a_100102657272_100009816672 [0,2,0,0,0,0|1,0,0]=3 1740 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])F 7a_106832991635_100000102361 [0,2,0,0,0,0|1,0,0]=3 1741 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])O 2230a_106832991635_100010149780 [0,2,0,0,0,0|0,0,0]=2 1742 B13R1.387 CNCc1ccc(c(c1)[N+](=O)[O-])O 7a_106832991635_100010149780 [0,2,0,0,0,0|0,0,0]=2 1743 B13R1.387 COCc1ccc(c(c1)[N+](=O)[O-])Br 34a_100138415774_100000693152 [0,2,0,0,0,0|1,0,0]=3 1744 B13R1.387 COCc1ccc(c(c1)[N+](=O)[O-])C 34a_100138415774_100000042939 [0,2,0,0,0,0|1,0,0]=3 1745 B13R1.387 COCc1ccc(c(c1)[N+](=O)[O-])C 7a_100011216690_200000210301 [0,2,0,0,0,0|1,0,0]=3 1746 B13R1.387 COCc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000756607_200000210301 [0,2,0,0,0,0|1,0,0]=3 1747 B13R1.387 COCc1ccc(c(c1)[N+](=O)[O-])F 34a_100000039452_200000210301 [0,2,0,0,0,0|1,0,0]=3 1748 B13R1.387 COCc1ccc(c(c1)[N+](=O)[O-])F 34a_100138415774_100009816672 [0,2,0,0,0,0|1,0,0]=3 1749 B13R1.387 COCc1ccc(c(c1)[N+](=O)[O-])F 7a_100000039452_200000210301 [0,2,0,0,0,0|1,0,0]=3 1750 B13R1.387 CSCc1ccc(c(c1)[N+](=O)[O-])Br 62a_100000693152_200000210301 [0,2,0,0,0,0|1,0,0]=3 1751 B13R1.387 CSCc1ccc(c(c1)[N+](=O)[O-])F 62a_100009816672_200000210301 [0,2,0,0,0,0|1,0,0]=3 1752 B13R1.387 Cc1ccc(cc1[N+](=O)[O-])CO[13CH3] 7a_100011216690_200025704644 [0,2,0,0,0,0|1,0,0]=3 1753 B13R1.387 Cc1ccc(cc1[N+](=O)[O-])NCF 34a_100000210030_100015361967 [0,2,0,0,0,0|1,0,0]=3 1754 B13R1.387 Cc1ccc(cc1[N+](=O)[O-])OCF 34a_100000742313_100015361967 [0,2,0,0,0,0|1,0,0]=3 1755 B13R1.387 Cc1ccc(cc1[N+](=O)[O-])OCF 7a_100000742313_100015361967 [0,2,0,0,0,0|1,0,0]=3 1756 B13R1.387 NC(=O)c1cc(ccc1O)SCF 62a_100000192807_100015361967 [0,2,0,0,0,0|2,0,0]=4 1757 B13R1.387 Nc1ccc(cc1[N+](=O)[O-])OCF 34a_100000740891_100015361967 [0,2,0,0,0,0|1,0,0]=3 1758 B13R1.387 Nc1ccc(cc1[N+](=O)[O-])OCF 7a_100000740891_100015361967 [0,2,0,0,0,0|1,0,0]=3 1759 B13R1.387 O=[N+]([O-])c1cc(ccc1Br)OCF 34a_100012232398_100015361967 [0,2,0,0,0,0|1,0,0]=3 1760 B13R1.387 O=[N+]([O-])c1cc(ccc1Br)OCF 7a_100012232398_100015361967 [0,2,0,0,0,0|1,0,0]=3 1761 B13R1.387 O=[N+]([O-])c1cc(ccc1Cl)OCF 34a_100000718020_100015361967 [0,2,0,0,0,0|1,0,0]=3 1762 B13R1.387 O=[N+]([O-])c1cc(ccc1Cl)OCF 7a_100000718020_100015361967 [0,2,0,0,0,0|1,0,0]=3 1763 B13R1.387 O=[N+]([O-])c1cc(ccc1F)NCF 34a_100000185763_100015361967 [0,2,0,0,0,0|1,0,0]=3 1764 B13R1.387 O=[N+]([O-])c1cc(ccc1F)OCF 34a_100011294462_100015361967 [0,2,0,0,0,0|1,0,0]=3 1765 B13R1.387 O=[N+]([O-])c1cc(ccc1F)OCF 7a_100011294462_100015361967 [0,2,0,0,0,0|1,0,0]=3 1766 B13R1.387 O=[N+]([O-])c1cc(ccc1I)OCF 7a_100000031453_100015361967 [0,2,0,0,0,0|1,0,0]=3 1767 B13R1.387 [13CH3]OCc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000756607_200025704644 [0,2,0,0,0,0|1,0,0]=3 1768 B13R1.387 [13CH3]OCc1ccc(c(c1)[N+](=O)[O-])F 34a_100000039452_200025704644 [0,2,0,0,0,0|1,0,0]=3 1769 B13R1.387 [13CH3]OCc1ccc(c(c1)[N+](=O)[O-])F 7a_100000039452_200025704644 [0,2,0,0,0,0|1,0,0]=3 1770 B13R1.387 [13CH3]SCc1ccc(c(c1)[N+](=O)[O-])Br 62a_100000693152_200025704644 [0,2,0,0,0,0|1,0,0]=3 1771 B13R1.387 [13CH3]SCc1ccc(c(c1)[N+](=O)[O-])F 62a_100009816672_200025704644 [0,2,0,0,0,0|1,0,0]=3 1772 B13R1.437 CNc1cc(c(c(c1)[N+](=O)[O-])C)C 2230a_100000095013_200000210301 [0,2,0,0,0,0|1,0,0]=3 1773 B13R1.437 CNc1cc(c(c(c1)[N+](=O)[O-])C)C 34a_100000095013_200000210301 [0,2,0,0,0,0|1,0,0]=3 1774 B13R1.437 CNc1cc(c(c(c1)[N+](=O)[O-])C)C 7a_100000095013_200000210301 [0,2,0,0,0,0|1,0,0]=3 1775 B13R1.437 Cc1cc(cc(c1C)[N+](=O)[O-])N[13CH3] 2230a_100000095013_200025704644 [0,2,0,0,0,0|1,0,0]=3 1776 B13R1.437 Cc1cc(cc(c1C)[N+](=O)[O-])N[13CH3] 34a_100000095013_200025704644 [0,2,0,0,0,0|1,0,0]=3 1777 B13R1.437 Cc1cc(cc(c1C)[N+](=O)[O-])N[13CH3] 7a_100000095013_200025704644 [0,2,0,0,0,0|1,0,0]=3 1778 B13R1.3097 COc1ccc(c(c1C)[N+](=O)[O-])C 34a_200009873845_200000210301 [0,2,0,0,0,0|1,0,0]=3 1779 B13R1.3097 COc1ccc(c(c1C)[N+](=O)[O-])C 7a_200009873845_200000210301 [0,2,0,0,0,0|1,0,0]=3 1780 B13R1.3097 COc1ccc(c(c1Cl)[N+](=O)[O-])Cl 34a_100000062095_200000210301 [0,2,0,0,0,0|1,0,0]=3 1781 B13R1.3097 COc1ccc(c(c1Cl)[N+](=O)[O-])Cl 7a_100000062095_200000210301 [0,2,0,0,0,0|1,0,0]=3 1782 B13R1.3097 Cc1ccc(c(c1[N+](=O)[O-])C)O[13CH3] 34a_200009873845_200025704644 [0,2,0,0,0,0|1,0,0]=3 1783 B13R1.3097 Cc1ccc(c(c1[N+](=O)[O-])C)O[13CH3] 7a_200009873845_200025704644 [0,2,0,0,0,0|1,0,0]=3 1784 B13R1.3097 [13CH3]Oc1ccc(c(c1Cl)[N+](=O)[O-])Cl 34a_100000062095_200025704644 [0,2,0,0,0,0|1,0,0]=3 1785 B13R1.3097 [13CH3]Oc1ccc(c(c1Cl)[N+](=O)[O-])Cl 7a_100000062095_200025704644 [0,2,0,0,0,0|1,0,0]=3 1786 B13R1.299 C=Cc1cc(cc(c1O)C(=O)C)C 271570a_100011290941_100011659362 [0,2,0,0,0,0|2,0,0]=4 1787 B13R1.299 CC(=O)c1cc(cc(c1O)S[13CH3])C 62a_200025704644_100011659362 [0,2,0,0,0,0|2,0,0]=4 1788 B13R1.299 CNc1cc(cc(c1C)[N+](=O)[O-])Br 7a_100000723152_200000210301 [0,2,0,0,0,0|2,0,0]=4 1789 B13R1.299 CNc1cc(cc(c1C)[N+](=O)[O-])Cl 7a_100000077262_200000210301 [0,2,0,0,0,0|2,0,0]=4 1790 B13R1.299 CNc1cc(cc(c1C)[N+](=O)[O-])F 34a_100000089664_200000210301 [0,2,0,0,0,0|2,0,0]=4 1791 B13R1.299 CSc1cc(cc(c1O)C(=O)C)C 62a_200000210301_100011659362 [0,2,0,0,0,0|2,0,0]=4 1792 B13R1.299 Cc1c(cc(cc1[N+](=O)[O-])Br)N[13CH3] 7a_100000723152_200025704644 [0,2,0,0,0,0|2,0,0]=4 1793 B13R1.299 Cc1c(cc(cc1[N+](=O)[O-])Cl)N[13CH3] 7a_100000077262_200025704644 [0,2,0,0,0,0|2,0,0]=4 1794 B13R1.299 Cc1c(cc(cc1[N+](=O)[O-])F)N[13CH3] 34a_100000089664_200025704644 [0,2,0,0,0,0|2,0,0]=4 1795 B13R1.3340 COc1c(ccc(c1[N+](=O)[O-])C)C 34a_200009857858_200000210301 [0,2,0,0,0,0|1,0,0]=3 1796 B13R1.3340 COc1c(ccc(c1[N+](=O)[O-])C)C 7a_200009857858_200000210301 [0,2,0,0,0,0|1,0,0]=3 1797 B13R1.3340 COc1c(ccc(c1[N+](=O)[O-])F)F 34a_200010339200_200000210301 [0,2,0,0,0,0|2,0,0]=4 1798 B13R1.3340 Cc1ccc(c(c1O[13CH3])[N+](=O)[O-])C 34a_200009857858_200025704644 [0,2,0,0,0,0|1,0,0]=3 1799 B13R1.3340 Cc1ccc(c(c1O[13CH3])[N+](=O)[O-])C 7a_200009857858_200025704644 [0,2,0,0,0,0|1,0,0]=3 1800 B13R1.3340 [13CH3]Oc1c(ccc(c1[N+](=O)[O-])F)F 34a_200010339200_200025704644 [0,2,0,0,0,0|2,0,0]=4 1801 B11R1.605 CC=Cc1c(ccc[n+]1[O-])C 271570a_100016259895_100116209805 [0,0,1,1,0,0|2,0,0]=4 1802 B13R2.669 CSc1ccc2c(c1)C(=O)CO2 62a_200000210301_100000752586 [0,1,0,1,0,0|2,0,0]=4 1803 B13R2.669 CSc1ccc2o[nH]c(=O)c2c1 62a_200000210301_100000732257 [0,1,0,1,0,0|2,0,0]=4 1804 B13R2.669 [13CH3]Sc1ccc2c(c1)C(=O)CO2 62a_200025704644_100000752586 [0,1,0,1,0,0|2,0,0]=4 1805 B13R2.669 [13CH3]Sc1ccc2o[nH]c(=O)c2c1 62a_200025704644_100000732257 [0,1,0,1,0,0|2,0,0]=4 1806 B9R1.22 Cc1cc(c(s1)C=O)O 271570a_203496583355_100011361552 [1,0,0,0,1,0|2,0,0]=4 1807 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [1,0,0,0,0,1|2,0,0]=4 1808 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [1,0,0,0,0,1|2,0,0]=4 1809 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [1,0,0,0,0,1|2,0,0]=4 1810 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [1,0,0,0,0,1|2,0,0]=4 1811 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [1,0,0,0,0,1|2,0,0]=4 1812 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [1,0,0,0,0,1|2,0,0]=4 1813 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [1,0,0,0,0,1|2,0,0]=4 1814 B13R1.893 Cc1cc(c(cn1)Br)OC[N+](=O)[O-] 34a_100011016184_100000761209 [0,0,0,0,0,2|2,0,0]=4 1815 B13R1.893 Cc1cc(c(cn1)C)SC[N+](=O)[O-] 62a_100009862788_100000761209 [0,0,0,0,0,2|2,0,0]=4 1816 B13R1.893 Cc1cc(c(cn1)F)SC[N+](=O)[O-] 62a_100009867690_100000761209 [0,0,0,0,0,2|2,0,0]=4 1817 B13R1.893 Cc1cc(c(cn1)O)SCC(=O)[O-] 62a_100009843476_100020667443 [0,0,0,0,0,2|2,0,0]=4 1818 B13R1.893 Cc1cc(c(cn1)O)SCC(=O)[O-] 62a_100020667443_100009843476 [0,0,0,0,0,2|2,0,0]=4 1819 B13R1.893 Cc1cc(c(cn1)O)SC[N+](=O)[O-] 62a_100009843476_100000761209 [0,0,0,0,0,2|1,0,0]=3 1820 B13R1.893 Cc1ccc(c(c1)NCC(=O)N)O 34a_100011215204_100000187820 [0,0,0,0,0,2|2,0,0]=4 1821 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])Br 34a_100000745044_100020667443 [0,0,0,0,0,2|2,0,0]=4 1822 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])C 34a_100000185781_100020667443 [0,0,0,0,0,2|2,0,0]=4 1823 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])Cl 34a_100011215360_100020667443 [0,0,0,0,0,2|2,0,0]=4 1824 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])F 34a_100000211285_100020667443 [0,0,0,0,0,2|2,0,0]=4 1825 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])I 34a_100011216686_100020667443 [0,0,0,0,0,2|2,0,0]=4 1826 B13R1.893 Cc1ccc(c(c1)NCC(=O)[O-])O 34a_100011215204_100020667443 [0,0,0,0,0,2|1,0,0]=3 1827 B13R1.893 Cc1ccc(c(c1)NC[N+](=O)[O-])Br 34a_100000745044_100000761209 [0,0,0,0,0,2|1,0,0]=3 1828 B13R1.893 Cc1ccc(c(c1)NC[N+](=O)[O-])C 34a_100000185781_100000761209 [0,0,0,0,0,2|1,0,0]=3 1829 B13R1.893 Cc1ccc(c(c1)NC[N+](=O)[O-])Cl 34a_100011215360_100000761209 [0,0,0,0,0,2|1,0,0]=3 1830 B13R1.893 Cc1ccc(c(c1)NC[N+](=O)[O-])F 34a_100000211285_100000761209 [0,0,0,0,0,2|1,0,0]=3 1831 B13R1.893 Cc1ccc(c(c1)NC[N+](=O)[O-])I 34a_100011216686_100000761209 [0,0,0,0,0,2|1,0,0]=3 1832 B13R1.893 Cc1ccc(c(c1)NC[N+](=O)[O-])O 34a_100011215204_100000761209 [0,0,0,0,0,2|0,0,0]=2 1833 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])Br 34a_100012002257_100020667443 [0,0,0,0,0,2|2,0,0]=4 1834 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])C 34a_100000210931_100020667443 [0,0,0,0,0,2|2,0,0]=4 1835 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])Cl 34a_100000211493_100020667443 [0,0,0,0,0,2|2,0,0]=4 1836 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])F 34a_100000759540_100020667443 [0,0,0,0,0,2|2,0,0]=4 1837 B13R1.893 Cc1ccc(c(c1)OCC(=O)[O-])N 34a_100000211527_100020667443 [0,0,0,0,0,2|2,0,0]=4 1838 B13R1.893 Cc1ccc(c(c1)OC[N+](=O)[O-])Br 34a_100012002257_100000761209 [0,0,0,0,0,2|1,0,0]=3 1839 B13R1.893 Cc1ccc(c(c1)OC[N+](=O)[O-])C 34a_100000210931_100000761209 [0,0,0,0,0,2|1,0,0]=3 1840 B13R1.893 Cc1ccc(c(c1)OC[N+](=O)[O-])Cl 34a_100000211493_100000761209 [0,0,0,0,0,2|1,0,0]=3 1841 B13R1.893 Cc1ccc(c(c1)OC[N+](=O)[O-])F 34a_100000759540_100000761209 [0,0,0,0,0,2|1,0,0]=3 1842 B13R1.893 Cc1ccc(c(c1)OC[N+](=O)[O-])N 34a_100000211527_100000761209 [0,0,0,0,0,2|1,0,0]=3 1843 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)O 62a_100000747473_100000765521 [0,0,0,0,0,2|2,0,0]=4 1844 B13R1.893 Cc1ccc(c(c1)SCC(=O)N)O 62a_100000765521_100000747473 [0,0,0,0,0,2|2,0,0]=4 1845 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])Br 62a_100012353751_100020667443 [0,0,0,0,0,2|2,0,0]=4 1846 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])Br 62a_100020667443_100012353751 [0,0,0,0,0,2|2,0,0]=4 1847 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])C 62a_100000210833_100020667443 [0,0,0,0,0,2|2,0,0]=4 1848 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])C 62a_100020667443_100000210833 [0,0,0,0,0,2|2,0,0]=4 1849 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])Cl 62a_100012356289_100020667443 [0,0,0,0,0,2|2,0,0]=4 1850 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])Cl 62a_100020667443_100012356289 [0,0,0,0,0,2|2,0,0]=4 1851 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])F 62a_100000736223_100020667443 [0,0,0,0,0,2|2,0,0]=4 1852 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])F 62a_100020667443_100000736223 [0,0,0,0,0,2|2,0,0]=4 1853 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])N 62a_100011356834_100020667443 [0,0,0,0,0,2|2,0,0]=4 1854 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])N 62a_100020667443_100011356834 [0,0,0,0,0,2|2,0,0]=4 1855 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])O 62a_100000765521_100020667443 [0,0,0,0,0,2|1,0,0]=3 1856 B13R1.893 Cc1ccc(c(c1)SCC(=O)[O-])O 62a_100020667443_100000765521 [0,0,0,0,0,2|1,0,0]=3 1857 B13R1.893 Cc1ccc(c(c1)SC[N+](=O)[O-])Br 62a_100012353751_100000761209 [0,0,0,0,0,2|1,0,0]=3 1858 B13R1.893 Cc1ccc(c(c1)SC[N+](=O)[O-])C 62a_100000210833_100000761209 [0,0,0,0,0,2|1,0,0]=3 1859 B13R1.893 Cc1ccc(c(c1)SC[N+](=O)[O-])Cl 62a_100012356289_100000761209 [0,0,0,0,0,2|1,0,0]=3 1860 B13R1.893 Cc1ccc(c(c1)SC[N+](=O)[O-])F 62a_100000736223_100000761209 [0,0,0,0,0,2|1,0,0]=3 1861 B13R1.893 Cc1ccc(c(c1)SC[N+](=O)[O-])N 62a_100011356834_100000761209 [0,0,0,0,0,2|1,0,0]=3 1862 B13R1.893 Cc1ccc(c(c1)SC[N+](=O)[O-])O 62a_100000765521_100000761209 [0,0,0,0,0,2|0,0,0]=2 1863 B13R1.893 Cc1ccc(c(n1)OC[N+](=O)[O-])Br 34a_100009817604_100000761209 [0,0,0,0,0,2|2,0,0]=4 1864 B13R1.893 Cc1ccc(c(n1)OC[N+](=O)[O-])N 34a_100000687486_100000761209 [0,0,0,0,0,2|2,0,0]=4 1865 B13R1.893 Cc1ccc(c(n1)SCC(=O)[O-])O 62a_100000702858_100020667443 [0,0,0,0,0,2|2,0,0]=4 1866 B13R1.893 Cc1ccc(c(n1)SCC(=O)[O-])O 62a_100020667443_100000702858 [0,0,0,0,0,2|2,0,0]=4 1867 B13R1.893 Cc1ccc(c(n1)SC[N+](=O)[O-])C 62a_100009854376_100000761209 [0,0,0,0,0,2|2,0,0]=4 1868 B13R1.893 Cc1ccc(c(n1)SC[N+](=O)[O-])F 62a_100009817602_100000761209 [0,0,0,0,0,2|2,0,0]=4 1869 B13R1.893 Cc1ccc(c(n1)SC[N+](=O)[O-])N 62a_100000685570_100000761209 [0,0,0,0,0,2|2,0,0]=4 1870 B13R1.893 Cc1ccc(c(n1)SC[N+](=O)[O-])O 62a_100000702858_100000761209 [0,0,0,0,0,2|1,0,0]=3 1871 B13R1.893 Cc1ccc(cc1NC[N+](=O)[O-])Br 34a_100000741167_100000761209 [0,0,0,0,0,2|2,0,0]=4 1872 B13R1.893 Cc1ccc(cc1NC[N+](=O)[O-])Cl 34a_100000211374_100000761209 [0,0,0,0,0,2|2,0,0]=4 1873 B13R1.893 Cc1ccc(cc1NC[N+](=O)[O-])F 34a_100000211107_100000761209 [0,0,0,0,0,2|2,0,0]=4 1874 B13R1.893 Cc1ccc(cc1NC[N+](=O)[O-])O 34a_100011216113_100000761209 [0,0,0,0,0,2|2,0,0]=4 1875 B13R1.893 Cc1ccc(cc1OC[N+](=O)[O-])Br 34a_100000685420_100000761209 [0,0,0,0,0,2|2,0,0]=4 1876 B13R1.893 Cc1ccc(cc1OC[N+](=O)[O-])Cl 34a_100000756515_100000761209 [0,0,0,0,0,2|2,0,0]=4 1877 B13R1.893 Cc1ccc(cc1OC[N+](=O)[O-])F 34a_100000690566_100000761209 [0,0,0,0,0,2|2,0,0]=4 1878 B13R1.893 Cc1ccc(cc1OC[N+](=O)[O-])N 34a_100000759471_100000761209 [0,0,0,0,0,2|2,0,0]=4 1879 B13R1.893 Cc1ccc(cc1SC[N+](=O)[O-])Br 62a_100011344865_100000761209 [0,0,0,0,0,2|2,0,0]=4 1880 B13R1.893 Cc1ccc(cc1SC[N+](=O)[O-])Cl 62a_100011263213_100000761209 [0,0,0,0,0,2|2,0,0]=4 1881 B13R1.893 Cc1ccc(cc1SC[N+](=O)[O-])F 62a_100011218078_100000761209 [0,0,0,0,0,2|2,0,0]=4 1882 B13R1.893 Cc1ccc(cc1SC[N+](=O)[O-])N 62a_100000736455_100000761209 [0,0,0,0,0,2|2,0,0]=4 1883 B13R1.893 Cc1ccc(cc1SC[N+](=O)[O-])O 62a_100011380479_100000761209 [0,0,0,0,0,2|2,0,0]=4 1884 B13R1.893 Cc1cnc(c(c1)OC[N+](=O)[O-])Cl 34a_100012000487_100000761209 [0,0,0,0,0,2|2,0,0]=4 1885 B13R1.893 Cc1cnc(c(c1)OC[N+](=O)[O-])F 34a_100009849810_100000761209 [0,0,0,0,0,2|2,0,0]=4 1886 B13R1.893 Cc1cnc(c(c1)SCC(=O)[O-])O 62a_100000719714_100020667443 [0,0,0,0,0,2|2,0,0]=4 1887 B13R1.893 Cc1cnc(c(c1)SCC(=O)[O-])O 62a_100020667443_100000719714 [0,0,0,0,0,2|2,0,0]=4 1888 B13R1.893 Cc1cnc(c(c1)SC[N+](=O)[O-])C 62a_100009817436_100000761209 [0,0,0,0,0,2|2,0,0]=4 1889 B13R1.893 Cc1cnc(c(c1)SC[N+](=O)[O-])Cl 62a_100010210167_100000761209 [0,0,0,0,0,2|2,0,0]=4 1890 B13R1.893 Cc1cnc(c(c1)SC[N+](=O)[O-])F 62a_100000049784_100000761209 [0,0,0,0,0,2|2,0,0]=4 1891 B13R1.893 Cc1cnc(c(c1)SC[N+](=O)[O-])N 62a_100000049664_100000761209 [0,0,0,0,0,2|2,0,0]=4 1892 B13R1.893 Cc1cnc(c(c1)SC[N+](=O)[O-])O 62a_100000719714_100000761209 [0,0,0,0,0,2|1,0,0]=3 1893 B13R1.893 Cn1ccc(=O)c(c1)SC[N+](=O)[O-] 62a_100010750718_100000761209 [0,0,0,0,0,2|1,0,1]=4 1894 B13R1.893 Nc1ccc(c(c1)OC[N+](=O)[O-])Cl 34a_100011934209_100000761209 [0,0,0,0,0,2|2,0,0]=4 1895 B13R1.893 Nc1ccc(c(c1)OC[N+](=O)[O-])F 34a_100012017398_100000761209 [0,0,0,0,0,2|2,0,0]=4 1896 B13R1.893 Nc1ccc(c(c1)OC[N+](=O)[O-])N 34a_100025717382_100000761209 [0,0,0,0,0,2|2,0,0]=4 1897 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])O 62a_100011534360_100020667443 [0,0,0,0,0,2|2,0,0]=4 1898 B13R1.893 Nc1ccc(c(c1)SCC(=O)[O-])O 62a_100020667443_100011534360 [0,0,0,0,0,2|2,0,0]=4 1899 B13R1.893 Nc1ccc(c(c1)SC[N+](=O)[O-])Br 62a_100000750459_100000761209 [0,0,0,0,0,2|2,0,0]=4 1900 B13R1.893 Nc1ccc(c(c1)SC[N+](=O)[O-])Cl 62a_100012360549_100000761209 [0,0,0,0,0,2|2,0,0]=4 1901 B13R1.893 Nc1ccc(c(c1)SC[N+](=O)[O-])F 62a_100000760356_100000761209 [0,0,0,0,0,2|2,0,0]=4 1902 B13R1.893 Nc1ccc(c(c1)SC[N+](=O)[O-])N 62a_100011534242_100000761209 [0,0,0,0,0,2|2,0,0]=4 1903 B13R1.893 Nc1ccc(c(c1)SC[N+](=O)[O-])O 62a_100011534360_100000761209 [0,0,0,0,0,2|1,0,0]=3 1904 B13R1.893 Nc1ccc(cc1OC[N+](=O)[O-])Br 34a_100000739049_100000761209 [0,0,0,0,0,2|2,0,0]=4 1905 B13R1.893 Nc1ccc(cc1OC[N+](=O)[O-])Cl 34a_100000185728_100000761209 [0,0,0,0,0,2|2,0,0]=4 1906 B13R1.893 Nc1ccc(cc1OC[N+](=O)[O-])F 34a_100000753323_100000761209 [0,0,0,0,0,2|2,0,0]=4 1907 B13R1.893 Nc1ccc(cc1OC[N+](=O)[O-])I 34a_100000057187_100000761209 [0,0,0,0,0,2|2,0,0]=4 1908 B13R1.893 Nc1ccc(cc1SC[N+](=O)[O-])Br 62a_100000187925_100000761209 [0,0,0,0,0,2|2,0,0]=4 1909 B13R1.893 Nc1ccc(cc1SC[N+](=O)[O-])Cl 62a_100000761889_100000761209 [0,0,0,0,0,2|2,0,0]=4 1910 B13R1.893 Nc1ccc(cc1SC[N+](=O)[O-])F 62a_100000760547_100000761209 [0,0,0,0,0,2|2,0,0]=4 1911 B13R1.893 Nc1ccc(cc1SC[N+](=O)[O-])O 62a_100012001276_100000761209 [0,0,0,0,0,2|2,0,0]=4 1912 B13R1.893 O=C([O-])CNc1cc(ccc1O)Br 34a_100000752626_100020667443 [0,0,0,0,0,2|2,0,0]=4 1913 B13R1.893 O=C([O-])CNc1cc(ccc1O)Cl 34a_100000210500_100020667443 [0,0,0,0,0,2|2,0,0]=4 1914 B13R1.893 O=C([O-])CNc1cc(ccc1O)F 34a_100000759472_100020667443 [0,0,0,0,0,2|2,0,0]=4 1915 B13R1.893 O=C([O-])CSc1cc(ccc1O)Br 62a_100012355227_100020667443 [0,0,0,0,0,2|2,0,0]=4 1916 B13R1.893 O=C([O-])CSc1cc(ccc1O)Br 62a_100020667443_100012355227 [0,0,0,0,0,2|2,0,0]=4 1917 B13R1.893 O=C([O-])CSc1cc(ccc1O)Cl 62a_100011356953_100020667443 [0,0,0,0,0,2|2,0,0]=4 1918 B13R1.893 O=C([O-])CSc1cc(ccc1O)Cl 62a_100020667443_100011356953 [0,0,0,0,0,2|2,0,0]=4 1919 B13R1.893 O=C([O-])CSc1cc(ccc1O)F 62a_100000211999_100020667443 [0,0,0,0,0,2|2,0,0]=4 1920 B13R1.893 O=C([O-])CSc1cc(ccc1O)F 62a_100020667443_100000211999 [0,0,0,0,0,2|2,0,0]=4 1921 B13R1.893 O=C([O-])CSc1cc(ccc1O)O 62a_100020667443_100009813629 [0,0,0,0,0,2|2,0,0]=4 1922 B13R1.893 O=[N+]([O-])CNc1cc(ccc1Br)Br 34a_100000737762_100000761209 [0,0,0,0,0,2|2,0,0]=4 1923 B13R1.893 O=[N+]([O-])CNc1cc(ccc1Br)Cl 34a_100000687073_100000761209 [0,0,0,0,0,2|2,0,0]=4 1924 B13R1.893 O=[N+]([O-])CNc1cc(ccc1Br)F 34a_100000687223_100000761209 [0,0,0,0,0,2|2,0,0]=4 1925 B13R1.893 O=[N+]([O-])CNc1cc(ccc1Br)O 34a_100011999798_100000761209 [0,0,0,0,0,2|2,0,0]=4 1926 B13R1.893 O=[N+]([O-])CNc1cc(ccc1Cl)Br 34a_100000750497_100000761209 [0,0,0,0,0,2|2,0,0]=4 1927 B13R1.893 O=[N+]([O-])CNc1cc(ccc1Cl)Cl 34a_100000184485_100000761209 [0,0,0,0,0,2|2,0,0]=4 1928 B13R1.893 O=[N+]([O-])CNc1cc(ccc1Cl)F 34a_100000751338_100000761209 [0,0,0,0,0,2|2,0,0]=4 1929 B13R1.893 O=[N+]([O-])CNc1cc(ccc1Cl)I 34a_200000761891_100000761209 [0,0,0,0,0,2|2,0,0]=4 1930 B13R1.893 O=[N+]([O-])CNc1cc(ccc1Cl)O 34a_100011934297_100000761209 [0,0,0,0,0,2|2,0,0]=4 1931 B13R1.893 O=[N+]([O-])CNc1cc(ccc1F)Br 34a_100000740924_100000761209 [0,0,0,0,0,2|2,0,0]=4 1932 B13R1.893 O=[N+]([O-])CNc1cc(ccc1F)Cl 34a_100000212115_100000761209 [0,0,0,0,0,2|2,0,0]=4 1933 B13R1.893 O=[N+]([O-])CNc1cc(ccc1F)F 34a_100000210742_100000761209 [0,0,0,0,0,2|2,0,0]=4 1934 B13R1.893 O=[N+]([O-])CNc1cc(ccc1F)I 34a_100011464823_100000761209 [0,0,0,0,0,2|2,0,0]=4 1935 B13R1.893 O=[N+]([O-])CNc1cc(ccc1F)O 34a_100012017239_100000761209 [0,0,0,0,0,2|2,0,0]=4 1936 B13R1.893 O=[N+]([O-])CNc1cc(ccc1I)Br 34a_100000743836_100000761209 [0,0,0,0,0,2|2,0,0]=4 1937 B13R1.893 O=[N+]([O-])CNc1cc(ccc1I)Cl 34a_100000761886_100000761209 [0,0,0,0,0,2|2,0,0]=4 1938 B13R1.893 O=[N+]([O-])CNc1cc(ccc1I)F 34a_100011218093_100000761209 [0,0,0,0,0,2|2,0,0]=4 1939 B13R1.893 O=[N+]([O-])CNc1cc(ccc1O)Br 34a_100000752626_100000761209 [0,0,0,0,0,2|1,0,0]=3 1940 B13R1.893 O=[N+]([O-])CNc1cc(ccc1O)Cl 34a_100000210500_100000761209 [0,0,0,0,0,2|1,0,0]=3 1941 B13R1.893 O=[N+]([O-])CNc1cc(ccc1O)F 34a_100000759472_100000761209 [0,0,0,0,0,2|1,0,0]=3 1942 B13R1.893 O=[N+]([O-])COc1cc(ccc1Br)Br 34a_100011220040_100000761209 [0,0,0,0,0,2|2,0,0]=4 1943 B13R1.893 O=[N+]([O-])COc1cc(ccc1Br)Cl 34a_100012339455_100000761209 [0,0,0,0,0,2|2,0,0]=4 1944 B13R1.893 O=[N+]([O-])COc1cc(ccc1Br)F 34a_100000690578_100000761209 [0,0,0,0,0,2|2,0,0]=4 1945 B13R1.893 O=[N+]([O-])COc1cc(ccc1Br)I 34a_100012356990_100000761209 [0,0,0,0,0,2|2,0,0]=4 1946 B13R1.893 O=[N+]([O-])COc1cc(ccc1Cl)Br 34a_100000738945_100000761209 [0,0,0,0,0,2|2,0,0]=4 1947 B13R1.893 O=[N+]([O-])COc1cc(ccc1Cl)Cl 34a_100000211422_100000761209 [0,0,0,0,0,2|2,0,0]=4 1948 B13R1.893 O=[N+]([O-])COc1cc(ccc1Cl)F 34a_100000692107_100000761209 [0,0,0,0,0,2|2,0,0]=4 1949 B13R1.893 O=[N+]([O-])COc1cc(ccc1Cl)I 34a_100011356854_100000761209 [0,0,0,0,0,2|2,0,0]=4 1950 B13R1.893 O=[N+]([O-])COc1cc(ccc1F)Br 34a_100000686035_100000761209 [0,0,0,0,0,2|2,0,0]=4 1951 B13R1.893 O=[N+]([O-])COc1cc(ccc1F)Cl 34a_100000757397_100000761209 [0,0,0,0,0,2|2,0,0]=4 1952 B13R1.893 O=[N+]([O-])COc1cc(ccc1F)F 34a_100000752141_100000761209 [0,0,0,0,0,2|2,0,0]=4 1953 B13R1.893 O=[N+]([O-])COc1cc(ccc1F)I 34a_100009958187_100000761209 [0,0,0,0,0,2|2,0,0]=4 1954 B13R1.893 O=[N+]([O-])COc1cc(ccc1I)Br 34a_100012344904_100000761209 [0,0,0,0,0,2|2,0,0]=4 1955 B13R1.893 O=[N+]([O-])COc1cc(ccc1I)Cl 34a_100000050036_100000761209 [0,0,0,0,0,2|2,0,0]=4 1956 B13R1.893 O=[N+]([O-])COc1cc(ccc1I)F 34a_100010084537_100000761209 [0,0,0,0,0,2|2,0,0]=4 1957 B13R1.893 O=[N+]([O-])CSc1cc(ccc1Br)Br 62a_100011483371_100000761209 [0,0,0,0,0,2|2,0,0]=4 1958 B13R1.893 O=[N+]([O-])CSc1cc(ccc1Br)Cl 62a_100012339723_100000761209 [0,0,0,0,0,2|2,0,0]=4 1959 B13R1.893 O=[N+]([O-])CSc1cc(ccc1Br)F 62a_100011217576_100000761209 [0,0,0,0,0,2|2,0,0]=4 1960 B13R1.893 O=[N+]([O-])CSc1cc(ccc1Br)O 62a_100012339312_100000761209 [0,0,0,0,0,2|2,0,0]=4 1961 B13R1.893 O=[N+]([O-])CSc1cc(ccc1Cl)Br 62a_100011772130_100000761209 [0,0,0,0,0,2|2,0,0]=4 1962 B13R1.893 O=[N+]([O-])CSc1cc(ccc1Cl)Cl 62a_100000707729_100000761209 [0,0,0,0,0,2|2,0,0]=4 1963 B13R1.893 O=[N+]([O-])CSc1cc(ccc1Cl)F 62a_100011217299_100000761209 [0,0,0,0,0,2|2,0,0]=4 1964 B13R1.893 O=[N+]([O-])CSc1cc(ccc1Cl)O 62a_100000049588_100000761209 [0,0,0,0,0,2|2,0,0]=4 1965 B13R1.893 O=[N+]([O-])CSc1cc(ccc1F)Br 62a_100011217312_100000761209 [0,0,0,0,0,2|2,0,0]=4 1966 B13R1.893 O=[N+]([O-])CSc1cc(ccc1F)Cl 62a_100011218116_100000761209 [0,0,0,0,0,2|2,0,0]=4 1967 B13R1.893 O=[N+]([O-])CSc1cc(ccc1F)F 62a_100011219198_100000761209 [0,0,0,0,0,2|2,0,0]=4 1968 B13R1.893 O=[N+]([O-])CSc1cc(ccc1F)O 62a_100000693481_100000761209 [0,0,0,0,0,2|2,0,0]=4 1969 B13R1.893 O=[N+]([O-])CSc1cc(ccc1O)Br 62a_100012355227_100000761209 [0,0,0,0,0,2|1,0,0]=3 1970 B13R1.893 O=[N+]([O-])CSc1cc(ccc1O)Cl 62a_100011356953_100000761209 [0,0,0,0,0,2|1,0,0]=3 1971 B13R1.893 O=[N+]([O-])CSc1cc(ccc1O)F 62a_100000211999_100000761209 [0,0,0,0,0,2|1,0,0]=3 1972 B13R1.893 O=[N+]([O-])CSc1cc(cnc1O)Br 62a_100010197142_100000761209 [0,0,0,0,0,2|2,0,0]=4 1973 B13R1.893 O=[N+]([O-])CSc1cc(cnc1O)Cl 62a_100010188700_100000761209 [0,0,0,0,0,2|2,0,0]=4 1974 B13R1.893 O=[N+]([O-])CSc1cc(ncc1O)Cl 62a_100000698892_100000761209 [0,0,0,0,0,2|2,0,0]=4 1975 B13R1.893 O=[N+]([O-])CSc1nc(ccc1O)Br 62a_100010253912_100000761209 [0,0,0,0,0,2|2,0,0]=4 1976 B13R1.893 O=[N+]([O-])CSc1nc(ccc1O)F 62a_100010382442_100000761209 [0,0,0,0,0,2|2,0,0]=4