0 B12R1.258 C=C(C)c1cc(ccn1)B(O)O 271570a_100000694244_100000049459 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.258 C=C(C)c1cccc(c1)B(O)O 271570a_100000694244_100000687717 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.258 C=C(C)c1cccc(n1)B(O)O 271570a_100000694244_100000117343 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.258 C=C(C)c1cncc(c1)B(O)O 271570a_100000694244_200009814628 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.258 CC(=O)c1cccc(c1)C(C)O 1458a_100000090953_200000210301 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.258 CC(=O)c1cccc(c1)[N+](=O)[O-] 1458a_100000185806_200000210301 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.258 CC(O)c1cccc(c1)C(=O)[13CH3] 1458a_100000090953_200025704644 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.258 CN(C)c1cccc(c1)[N+](=O)[O-] 269982a_102515432896_200000210301 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.258 CN(C)c1cccc(c1)[N+](=O)[O-] 34a_102515432896_200000210301 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.258 CN([13CH3])c1cccc(c1)[N+](=O)[O-] 269982a_102515432896_200025704644 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.258 CN([13CH3])c1cccc(c1)[N+](=O)[O-] 34a_102515432896_200025704644 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.258 [13CH3]C(=O)c1cccc(c1)[N+](=O)[O-] 1458a_100000185806_200025704644 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.266 C=Cc1cc(ccn1)B(O)O 271570a_100011290941_100000049459 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.266 C=Cc1cccc(c1)B(O)O 271570a_100011290941_100000687717 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.266 C=Cc1cccc(n1)B(O)O 271570a_100011290941_100000117343 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.266 C=Cc1cncc(c1)B(O)O 271570a_100011290941_200009814628 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.266 CNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200000210301 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200000210301 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200000210301 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200000210301 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200000210301 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.266 CSc1cc(ccn1)B(O)O 62a_100000049459_200000210301 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.266 CSc1cc(ccn1)B(O)O 62a_200000210301_100000049459 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.266 CSc1cccc(c1)B(O)O 62a_100000687717_200000210301 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.266 CSc1cccc(c1)B(O)O 62a_200000210301_100000687717 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.266 CSc1cccc(n1)B(O)O 62a_100000117343_200000210301 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.266 CSc1cccc(n1)B(O)O 62a_200000210301_100000117343 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.266 CSc1cncc(c1)B(O)O 62a_200000210301_200009814628 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.266 CSc1cncc(c1)B(O)O 62a_200009814628_200000210301 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.266 [13CH3]Nc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200025704644 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200025704644 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200025704644 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200025704644 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200025704644 [1,0,0,0,0,0|3,0,0]=4 36 B11R1.266 [13CH3]Sc1cc(ccn1)B(O)O 62a_100000049459_200025704644 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.266 [13CH3]Sc1cc(ccn1)B(O)O 62a_200025704644_100000049459 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.266 [13CH3]Sc1cccc(c1)B(O)O 62a_100000687717_200025704644 [1,0,0,0,0,0|2,0,0]=3 39 B11R1.266 [13CH3]Sc1cccc(c1)B(O)O 62a_200025704644_100000687717 [1,0,0,0,0,0|2,0,0]=3 40 B11R1.266 [13CH3]Sc1cccc(n1)B(O)O 62a_100000117343_200025704644 [1,0,0,0,0,0|3,0,0]=4 41 B11R1.266 [13CH3]Sc1cccc(n1)B(O)O 62a_200025704644_100000117343 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.266 [13CH3]Sc1cncc(c1)B(O)O 62a_200009814628_200025704644 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.266 [13CH3]Sc1cncc(c1)B(O)O 62a_200025704644_200009814628 [1,0,0,0,0,0|3,0,0]=4 44 B13R1.13 C=C(C)c1cc(ccc1C)B(O)O 271570a_100000694244_200010223333 [0,1,0,0,0,0|3,0,0]=4 45 B13R1.13 C=C(C)c1cc(ccc1F)B(O)O 271570a_100000694244_100010175509 [0,1,0,0,0,0|3,0,0]=4 46 B13R1.13 C=C(C)c1ccc(c(c1)B(O)O)Br 271570a_100000694244_200010171685 [0,1,0,0,0,0|3,0,0]=4 47 B13R1.13 C=C(C)c1ccc(c(c1)B(O)O)C 271570a_100000694244_100010223188 [0,1,0,0,0,0|3,0,0]=4 48 B13R1.13 C=C(C)c1ccc(c(c1)B(O)O)F 271570a_100000694244_100011356809 [0,1,0,0,0,0|3,0,0]=4 49 B13R1.13 C=C(C)c1ccc(c(c1)B(O)O)O 271570a_100000694244_200009814749 [0,1,0,0,0,0|3,0,0]=4 50 B13R1.13 CC(=O)c1cc(ccc1Br)[N+](=O)[O-] 1458a_100000747063_200000210301 [0,1,0,0,0,0|2,0,1]=4 51 B13R1.13 CC(=O)c1cc(ccc1C)[N+](=O)[O-] 1458a_100000229928_200000210301 [0,1,0,0,0,0|2,0,1]=4 52 B13R1.13 CC(=O)c1cc(ccc1I)[N+](=O)[O-] 1458a_100000739378_200000210301 [0,1,0,0,0,0|2,0,1]=4 53 B13R1.13 CC(=O)c1cc(ccc1O)[N+](=O)[O-] 1458a_100000740180_200000210301 [0,1,0,0,0,0|2,0,1]=4 54 B13R1.13 CC(=O)c1ccc(c(c1)[N+](=O)[O-])Br 1458a_100000180175_200000210301 [0,1,0,0,0,0|2,0,1]=4 55 B13R1.13 CC(=O)c1ccc(c(c1)[N+](=O)[O-])C 1458a_100000185770_200000210301 [0,1,0,0,0,0|2,0,1]=4 56 B13R1.13 CC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl 1458a_100000210081_200000210301 [0,1,0,0,0,0|2,0,1]=4 57 B13R1.13 CC(=O)c1ccc(c(c1)[N+](=O)[O-])I 1458a_100000750634_200000210301 [0,1,0,0,0,0|2,0,1]=4 58 B13R1.13 CC(=O)c1ccc(c(c1)[N+](=O)[O-])O 1458a_100000744589_200000210301 [0,1,0,0,0,0|2,0,1]=4 59 B13R1.13 CN(C)c1cc(ccc1F)[N+](=O)[O-] 269982a_100011806208_200000210301 [0,1,0,0,0,0|3,0,0]=4 60 B13R1.13 CN(C)c1cc(ccc1F)[N+](=O)[O-] 34a_100011806208_200000210301 [0,1,0,0,0,0|3,0,0]=4 61 B13R1.13 CN([13CH3])c1cc(ccc1F)[N+](=O)[O-] 269982a_100011806208_200025704644 [0,1,0,0,0,0|3,0,0]=4 62 B13R1.13 CN([13CH3])c1cc(ccc1F)[N+](=O)[O-] 34a_100011806208_200025704644 [0,1,0,0,0,0|3,0,0]=4 63 B13R1.13 Cc1ccc(cc1C(=O)[13CH3])[N+](=O)[O-] 1458a_100000229928_200025704644 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.13 Cc1ccc(cc1[N+](=O)[O-])C(=O)[13CH3] 1458a_100000185770_200025704644 [0,1,0,0,0,0|2,0,1]=4 65 B13R1.13 [13CH3]C(=O)c1cc(ccc1Br)[N+](=O)[O-] 1458a_100000747063_200025704644 [0,1,0,0,0,0|2,0,1]=4 66 B13R1.13 [13CH3]C(=O)c1cc(ccc1I)[N+](=O)[O-] 1458a_100000739378_200025704644 [0,1,0,0,0,0|2,0,1]=4 67 B13R1.13 [13CH3]C(=O)c1cc(ccc1O)[N+](=O)[O-] 1458a_100000740180_200025704644 [0,1,0,0,0,0|2,0,1]=4 68 B13R1.13 [13CH3]C(=O)c1ccc(c(c1)[N+](=O)[O-])Br 1458a_100000180175_200025704644 [0,1,0,0,0,0|2,0,1]=4 69 B13R1.13 [13CH3]C(=O)c1ccc(c(c1)[N+](=O)[O-])Cl 1458a_100000210081_200025704644 [0,1,0,0,0,0|2,0,1]=4 70 B13R1.13 [13CH3]C(=O)c1ccc(c(c1)[N+](=O)[O-])I 1458a_100000750634_200025704644 [0,1,0,0,0,0|2,0,1]=4 71 B13R1.13 [13CH3]C(=O)c1ccc(c(c1)[N+](=O)[O-])O 1458a_100000744589_200025704644 [0,1,0,0,0,0|2,0,1]=4 72 B13R1.126 C=C(C)c1cc(cc(c1)B(O)O)C 271570a_100000694244_100009814731 [0,1,0,0,0,0|3,0,0]=4 73 B13R1.126 C=C(C)c1cc(cc(c1)B(O)O)F 271570a_100000694244_100009814746 [0,1,0,0,0,0|3,0,0]=4 74 B13R1.126 C=C(C)c1cc(cc(c1)B(O)O)O 271570a_100000694244_100010062373 [0,1,0,0,0,0|3,0,0]=4 75 B13R1.126 CC(=O)c1cc(cc(c1)[N+](=O)[O-])Br 1458a_100000687588_200000210301 [0,1,0,0,0,0|2,0,1]=4 76 B13R1.126 CC(=O)c1cc(cc(c1)[N+](=O)[O-])C 1458a_100000745761_200000210301 [0,1,0,0,0,0|2,0,1]=4 77 B13R1.126 CC(=O)c1cc(cc(c1)[N+](=O)[O-])Cl 1458a_100000757690_200000210301 [0,1,0,0,0,0|2,0,1]=4 78 B13R1.126 CC(=O)c1cc(cc(c1)[N+](=O)[O-])F 1458a_100000753934_200000210301 [0,1,0,0,0,0|2,0,1]=4 79 B13R1.126 CC(=O)c1cc(cc(c1)[N+](=O)[O-])I 1458a_100000695263_200000210301 [0,1,0,0,0,0|2,0,1]=4 80 B13R1.126 CC(=O)c1cc(cc(c1)[N+](=O)[O-])O 1458a_100000060830_200000210301 [0,1,0,0,0,0|2,0,1]=4 81 B13R1.126 CC(C)c1cc(cc(c1)B(O)O)O 271570a_203496583355_200010223340 [0,1,0,0,0,0|3,0,0]=4 82 B13R1.126 Cc1cc(cc(c1)[N+](=O)[O-])C(=O)[13CH3] 1458a_100000745761_200025704644 [0,1,0,0,0,0|2,0,1]=4 83 B13R1.126 [13CH3]C(=O)c1cc(cc(c1)[N+](=O)[O-])Br 1458a_100000687588_200025704644 [0,1,0,0,0,0|2,0,1]=4 84 B13R1.126 [13CH3]C(=O)c1cc(cc(c1)[N+](=O)[O-])Cl 1458a_100000757690_200025704644 [0,1,0,0,0,0|2,0,1]=4 85 B13R1.126 [13CH3]C(=O)c1cc(cc(c1)[N+](=O)[O-])F 1458a_100000753934_200025704644 [0,1,0,0,0,0|2,0,1]=4 86 B13R1.126 [13CH3]C(=O)c1cc(cc(c1)[N+](=O)[O-])I 1458a_100000695263_200025704644 [0,1,0,0,0,0|2,0,1]=4 87 B13R1.126 [13CH3]C(=O)c1cc(cc(c1)[N+](=O)[O-])O 1458a_100000060830_200025704644 [0,1,0,0,0,0|2,0,1]=4 88 B13R1.543 CC(N[13CH3])c1cccc(c1)[N+](=O)[O-] 2230a_100000741830_200025704644 [0,1,0,0,0,0|3,0,0]=4 89 B13R1.543 CC(O[13CH3])c1cccc(c1)[N+](=O)[O-] 34a_100000246462_200025704644 [0,1,0,0,0,0|2,0,0]=3 90 B13R1.543 CC(O[13CH3])c1cccc(c1)[N+](=O)[O-] 7a_100000246462_200025704644 [0,1,0,0,0,0|2,0,0]=3 91 B13R1.543 CC(S[13CH3])c1cccc(c1)[N+](=O)[O-] 62a_200025704644_100000209821 [0,1,0,0,0,0|2,1,0]=4 92 B13R1.543 CCC(=O)c1cccc(c1)[N+](=O)[O-] 1458a_100000185806_100000210202 [0,1,0,0,0,0|2,0,1]=4 93 B13R1.543 CCN(C)c1cccc(c1)[N+](=O)[O-] 269982a_102515432896_100000204670 [0,1,0,0,0,0|3,0,0]=4 94 B13R1.543 CCN(C)c1cccc(c1)[N+](=O)[O-] 34a_102515432896_100000210202 [0,1,0,0,0,0|3,0,0]=4 95 B13R1.543 CN(CF)c1cccc(c1)[N+](=O)[O-] 269982a_102515432896_100015361967 [0,1,0,0,0,0|3,0,0]=4 96 B13R1.543 CN(CF)c1cccc(c1)[N+](=O)[O-] 34a_102515432896_100015361967 [0,1,0,0,0,0|3,0,0]=4 97 B13R1.543 CNC(=O)c1cccc(c1)[N+](=O)[O-] 11a_106832991635_100000185806 [0,1,0,0,0,0|2,0,1]=4 98 B13R1.543 CNC(=O)c1cccc(c1)[N+](=O)[O-] 1626a_100102657272_100000185806 [0,1,0,0,0,0|2,0,1]=4 99 B13R1.543 CNC(=O)c1cccc(c1)[N+](=O)[O-] 240690a_100102657272_100000185806 [0,1,0,0,0,0|2,0,1]=4 100 B13R1.543 CNC(=O)c1cccc(c1)[N+](=O)[O-] 527a_100102657272_100000185806 [0,1,0,0,0,0|2,0,1]=4 101 B13R1.543 CNC(C)c1cccc(c1)[N+](=O)[O-] 2230a_100000741830_200000210301 [0,1,0,0,0,0|3,0,0]=4 102 B13R1.543 CNC(C)c1cccc(c1)[N+](=O)[O-] 2230a_106832991635_100000209821 [0,1,0,0,0,0|3,0,0]=4 103 B13R1.543 CNC(C)c1cccc(c1)[N+](=O)[O-] 34a_100102657272_100000209821 [0,1,0,0,0,0|3,0,0]=4 104 B13R1.543 CNC(C)c1cccc(c1)[N+](=O)[O-] 7a_106832991635_100000209821 [0,1,0,0,0,0|3,0,0]=4 105 B13R1.543 COC(C)c1cccc(c1)[N+](=O)[O-] 34a_100000246462_200000210301 [0,1,0,0,0,0|2,0,0]=3 106 B13R1.543 COC(C)c1cccc(c1)[N+](=O)[O-] 34a_100138415774_100000209821 [0,1,0,0,0,0|2,0,0]=3 107 B13R1.543 COC(C)c1cccc(c1)[N+](=O)[O-] 7a_100000246462_200000210301 [0,1,0,0,0,0|2,0,0]=3 108 B13R1.543 CSC(C)c1cccc(c1)[N+](=O)[O-] 62a_200000210301_100000209821 [0,1,0,0,0,0|2,1,0]=4 109 B13R1.543 O=C(CF)c1cccc(c1)[N+](=O)[O-] 1458a_100000185806_100015361967 [0,1,0,0,0,0|2,0,1]=4 110 B13R1.3801 C=C(C)c1cccc(c1C)B(O)O 271570a_100000694244_100000724322 [0,1,0,0,0,0|3,0,0]=4 111 B13R1.3801 C=C(C)c1cccc(c1F)B(O)O 271570a_100000694244_100011934463 [0,1,0,0,0,0|3,0,0]=4 112 B13R1.3801 CC(=O)c1cccc(c1Br)[N+](=O)[O-] 1458a_100000685994_200000210301 [0,1,0,0,0,0|2,0,1]=4 113 B13R1.3801 CC(=O)c1cccc(c1C)[N+](=O)[O-] 1458a_100000211150_200000210301 [0,1,0,0,0,0|2,0,1]=4 114 B13R1.3801 CC(=O)c1cccc(c1Cl)[N+](=O)[O-] 1458a_100000743002_200000210301 [0,1,0,0,0,0|2,0,1]=4 115 B13R1.3801 CC(=O)c1cccc(c1I)[N+](=O)[O-] 1458a_100000041022_200000210301 [0,1,0,0,0,0|2,0,1]=4 116 B13R1.3801 CC(=O)c1cccc(c1O)[N+](=O)[O-] 1458a_100000766605_200000210301 [0,1,0,0,0,0|2,0,1]=4 117 B13R1.3801 Cc1c(cccc1[N+](=O)[O-])C(=O)[13CH3] 1458a_100000211150_200025704644 [0,1,0,0,0,0|2,0,1]=4 118 B13R1.3801 [13CH3]C(=O)c1cccc(c1Br)[N+](=O)[O-] 1458a_100000685994_200025704644 [0,1,0,0,0,0|2,0,1]=4 119 B13R1.3801 [13CH3]C(=O)c1cccc(c1Cl)[N+](=O)[O-] 1458a_100000743002_200025704644 [0,1,0,0,0,0|2,0,1]=4 120 B13R1.3801 [13CH3]C(=O)c1cccc(c1I)[N+](=O)[O-] 1458a_100000041022_200025704644 [0,1,0,0,0,0|2,0,1]=4 121 B13R1.3801 [13CH3]C(=O)c1cccc(c1O)[N+](=O)[O-] 1458a_100000766605_200025704644 [0,1,0,0,0,0|2,0,1]=4 122 B13R2.429 OB(O)c1cccc(c1)C2CC2 271570a_100011220607_100000687717 [0,0,0,1,0,0|3,0,0]=4 123 B13R1.587 CC(=Cc1cccc(c1)B(O)O)C 271570a_100102525489_100000687717 [0,0,0,0,0,1|3,0,0]=4 124 B13R1.587 CC(=O)Cc1cccc(c1)B(O)O 1458a_100000070787_100009814088 [0,0,0,0,0,1|2,0,0]=3 125 B13R1.587 CC(=O)Cc1cccc(c1)[N+](=O)[O-] 1458a_100000070787_100000737091 [0,0,0,0,0,1|2,0,1]=4 126 B13R1.587 CC(=O)Cc1cccc(c1)[N+](=O)[O-] 1458a_100000749288_200000210301 [0,0,0,0,0,1|2,0,1]=4 127 B13R1.587 CC(=O)Nc1cccc(c1)[N+](=O)[O-] 11a_100000184103_100015343762 [0,0,0,0,0,1|2,0,1]=4 128 B13R1.587 CC(=O)Nc1cccc(c1)[N+](=O)[O-] 1626a_100000184103_100015343762 [0,0,0,0,0,1|2,0,1]=4 129 B13R1.587 CC(=O)Nc1cccc(c1)[N+](=O)[O-] 22a_100000184103_100000070787 [0,0,0,0,0,1|2,0,1]=4 130 B13R1.587 CC(C)Nc1cccc(c1)[N+](=O)[O-] 34a_100000184103_100000210206 [0,0,0,0,0,1|3,0,0]=4 131 B13R1.587 CC(C)Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100000210206 [0,0,0,0,0,1|3,0,0]=4 132 B13R1.587 CC(C)Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100000210206 [0,0,0,0,0,1|3,0,0]=4 133 B13R1.587 CC(C)Sc1cccc(c1)B(O)O 62a_100000210206_100000687717 [0,0,0,0,0,1|3,0,0]=4 134 B13R1.587 CC(C)Sc1cccc(c1)B(O)O 62a_100000687717_100000210206 [0,0,0,0,0,1|3,0,0]=4 135 B13R1.587 CN(C)Cc1cccc(c1)B(O)O 2230a_100102631434_100009814088 [0,0,0,0,0,1|2,0,1]=4 136 B13R1.587 CN(C)Cc1cccc(c1)B(O)O 269982a_100102631434_100009814088 [0,0,0,0,0,1|2,0,1]=4 137 B13R1.587 CN(C)Cc1cccc(c1)[N+](=O)[O-] 2230a_100000738247_200000210301 [0,0,0,0,0,1|3,0,0]=4 138 B13R1.587 CN(C)Cc1cccc(c1)[N+](=O)[O-] 2230a_100102631434_100000737091 [0,0,0,0,0,1|3,0,0]=4 139 B13R1.587 CN(C)Cc1cccc(c1)[N+](=O)[O-] 269982a_100000738247_200000210301 [0,0,0,0,0,1|3,0,0]=4 140 B13R1.587 CN(C)Cc1cccc(c1)[N+](=O)[O-] 269982a_100102631434_100000737091 [0,0,0,0,0,1|3,0,0]=4 141 B13R1.587 CN(C)Cc1cccc(c1)[N+](=O)[O-] 270004a_100102631434_100000185827 [0,0,0,0,0,1|3,0,0]=4 142 B13R1.587 CN([13CH3])Cc1cccc(c1)[N+](=O)[O-] 2230a_100000738247_200025704644 [0,0,0,0,0,1|3,0,0]=4 143 B13R1.587 CN([13CH3])Cc1cccc(c1)[N+](=O)[O-] 269982a_100000738247_200025704644 [0,0,0,0,0,1|3,0,0]=4 144 B13R1.587 [13CH3]C(=O)Cc1cccc(c1)[N+](=O)[O-] 1458a_100000749288_200025704644 [0,0,0,0,0,1|2,0,1]=4 145 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [2,0,0,0,0,0|2,0,0]=4 147 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [2,0,0,0,0,0|2,0,0]=4 148 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [2,0,0,0,0,0|0,0,1]=3 150 B10R1.113 OB(O)c1cccc(n1)O 271570a_203496583355_100000117343 [2,0,0,0,0,0|1,0,1]=4 151 B10R1.113 OB(O)c1ccnc(c1)O 271570a_203496583355_100000049459 [2,0,0,0,0,0|1,0,1]=4 152 B10R1.113 OB(O)c1cncc(c1)O 271570a_203496583355_200009814628 [2,0,0,0,0,0|1,0,1]=4 153 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [2,0,0,0,0,0|2,0,0]=4 154 B12R1.11 C=Cc1cc(cc(c1)B(O)O)C 271570a_100011290941_100009814731 [1,1,0,0,0,0|2,0,0]=4 155 B12R1.11 C=Cc1cc(cc(c1)B(O)O)F 271570a_100011290941_100009814746 [1,1,0,0,0,0|2,0,0]=4 156 B12R1.11 C=Cc1cc(cc(c1)B(O)O)O 271570a_100011290941_100010062373 [1,1,0,0,0,0|2,0,0]=4 157 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])Br 34a_100000728782_200000210301 [1,1,0,0,0,0|2,0,0]=4 158 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])Br 7a_100000728782_200000210301 [1,1,0,0,0,0|2,0,0]=4 159 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])C 2230a_100011707342_200000210301 [1,1,0,0,0,0|2,0,0]=4 160 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])C 34a_100011707342_200000210301 [1,1,0,0,0,0|2,0,0]=4 161 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])C 7a_100011707342_200000210301 [1,1,0,0,0,0|2,0,0]=4 162 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100012181248_200000210301 [1,1,0,0,0,0|2,0,0]=4 163 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100012181248_200000210301 [1,1,0,0,0,0|2,0,0]=4 164 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])F 34a_100000756922_200000210301 [1,1,0,0,0,0|2,0,0]=4 165 B12R1.11 CNc1cc(cc(c1)[N+](=O)[O-])F 7a_100000756922_200000210301 [1,1,0,0,0,0|2,0,0]=4 166 B12R1.11 COc1cc(cc(c1)B(O)O)O 271570a_203496583355_100009814751 [1,1,0,0,0,0|2,0,0]=4 167 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Br 34a_100010219246_200000210301 [1,1,0,0,0,0|2,0,0]=4 168 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Br 7a_100010219246_200000210301 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])C 34a_200000091708_200000210301 [1,1,0,0,0,0|2,0,0]=4 170 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])C 7a_200000091708_200000210301 [1,1,0,0,0,0|2,0,0]=4 171 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100000118981_200000210301 [1,1,0,0,0,0|2,0,0]=4 172 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100000118981_200000210301 [1,1,0,0,0,0|2,0,0]=4 173 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])F 34a_100000690918_200000210301 [1,1,0,0,0,0|2,0,0]=4 174 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])F 7a_100000690918_200000210301 [1,1,0,0,0,0|2,0,0]=4 175 B12R1.11 CSc1cc(cc(c1)B(O)O)C 62a_100009814731_200000210301 [1,1,0,0,0,0|2,0,0]=4 176 B12R1.11 CSc1cc(cc(c1)B(O)O)C 62a_200000210301_100009814731 [1,1,0,0,0,0|2,0,0]=4 177 B12R1.11 CSc1cc(cc(c1)B(O)O)F 62a_100009814746_200000210301 [1,1,0,0,0,0|2,0,0]=4 178 B12R1.11 CSc1cc(cc(c1)B(O)O)F 62a_200000210301_100009814746 [1,1,0,0,0,0|2,0,0]=4 179 B12R1.11 CSc1cc(cc(c1)B(O)O)O 62a_100010062373_200000210301 [1,1,0,0,0,0|2,0,0]=4 180 B12R1.11 CSc1cc(cc(c1)B(O)O)O 62a_200000210301_100010062373 [1,1,0,0,0,0|2,0,0]=4 181 B12R1.11 Cc1cc(cc(c1)B(O)O)S[13CH3] 62a_100009814731_200025704644 [1,1,0,0,0,0|2,0,0]=4 182 B12R1.11 Cc1cc(cc(c1)B(O)O)S[13CH3] 62a_200025704644_100009814731 [1,1,0,0,0,0|2,0,0]=4 183 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])N[13CH3] 2230a_100011707342_200025704644 [1,1,0,0,0,0|2,0,0]=4 184 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])N[13CH3] 34a_100011707342_200025704644 [1,1,0,0,0,0|2,0,0]=4 185 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])N[13CH3] 7a_100011707342_200025704644 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])O[13CH3] 34a_200000091708_200025704644 [1,1,0,0,0,0|2,0,0]=4 187 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])O[13CH3] 7a_200000091708_200025704644 [1,1,0,0,0,0|2,0,0]=4 188 B12R1.11 O=Cc1cc(cc(c1)B(O)O)O 271570a_203496583355_100010231469 [1,1,0,0,0,0|1,0,0]=3 189 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])Br 34a_100000728782_200025704644 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])Br 7a_100000728782_200025704644 [1,1,0,0,0,0|2,0,0]=4 191 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100012181248_200025704644 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100012181248_200025704644 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])F 34a_100000756922_200025704644 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.11 [13CH3]Nc1cc(cc(c1)[N+](=O)[O-])F 7a_100000756922_200025704644 [1,1,0,0,0,0|2,0,0]=4 195 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Br 34a_100010219246_200025704644 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Br 7a_100010219246_200025704644 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100000118981_200025704644 [1,1,0,0,0,0|2,0,0]=4 198 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100000118981_200025704644 [1,1,0,0,0,0|2,0,0]=4 199 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])F 34a_100000690918_200025704644 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])F 7a_100000690918_200025704644 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.11 [13CH3]Sc1cc(cc(c1)B(O)O)F 62a_100009814746_200025704644 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.11 [13CH3]Sc1cc(cc(c1)B(O)O)F 62a_200025704644_100009814746 [1,1,0,0,0,0|2,0,0]=4 203 B12R1.11 [13CH3]Sc1cc(cc(c1)B(O)O)O 62a_100010062373_200025704644 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.11 [13CH3]Sc1cc(cc(c1)B(O)O)O 62a_200025704644_100010062373 [1,1,0,0,0,0|2,0,0]=4 205 B12R1.56 C=Cc1cc(ccc1C)B(O)O 271570a_100011290941_200010223333 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.56 C=Cc1cc(ccc1F)B(O)O 271570a_100011290941_100010175509 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.56 CNc1cc(ccc1C)[N+](=O)[O-] 34a_100000184112_200000210301 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.56 CNc1cc(ccc1C)[N+](=O)[O-] 7a_100000184112_200000210301 [1,1,0,0,0,0|2,0,0]=4 209 B12R1.56 CNc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000186089_200000210301 [1,1,0,0,0,0|2,0,0]=4 210 B12R1.56 CNc1cc(ccc1F)[N+](=O)[O-] 34a_100000185768_200000210301 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.56 CNc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200000210301 [1,1,0,0,0,0|2,0,0]=4 212 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200000210301 [1,1,0,0,0,0|2,0,0]=4 213 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200000210301 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_200000210301 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_200000210301 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200000210301 [1,1,0,0,0,0|2,0,0]=4 217 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200000210301 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200000210301 [1,1,0,0,0,0|2,0,0]=4 219 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200000210301 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200000210301 [1,1,0,0,0,0|2,0,0]=4 221 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200000210301 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200000210301 [1,1,0,0,0,0|2,0,0]=4 223 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200000210301 [1,1,0,0,0,0|2,0,0]=4 224 B12R1.56 COc1cc(ccc1O)B(O)O 271570a_203496583355_100012355544 [1,1,0,0,0,0|2,0,0]=4 225 B12R1.56 CSc1cc(ccc1C)B(O)O 62a_200000210301_200010223333 [1,1,0,0,0,0|2,0,0]=4 226 B12R1.56 CSc1cc(ccc1C)B(O)O 62a_200010223333_200000210301 [1,1,0,0,0,0|2,0,0]=4 227 B12R1.56 CSc1cc(ccc1F)B(O)O 62a_100010175509_200000210301 [1,1,0,0,0,0|2,0,0]=4 228 B12R1.56 CSc1cc(ccc1F)B(O)O 62a_200000210301_100010175509 [1,1,0,0,0,0|2,0,0]=4 229 B12R1.56 Cc1ccc(cc1N[13CH3])[N+](=O)[O-] 34a_100000184112_200025704644 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.56 Cc1ccc(cc1N[13CH3])[N+](=O)[O-] 7a_100000184112_200025704644 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000740739_200025704644 [1,1,0,0,0,0|2,0,0]=4 232 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000740739_200025704644 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.56 Cc1ccc(cc1S[13CH3])B(O)O 62a_200010223333_200025704644 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.56 Cc1ccc(cc1S[13CH3])B(O)O 62a_200025704644_200010223333 [1,1,0,0,0,0|2,0,0]=4 235 B12R1.56 N#Cc1cc(ccc1O)B(O)O 271570a_203496583355_100000049296 [1,1,0,0,0,0|2,0,0]=4 236 B12R1.56 O=Cc1cc(ccc1O)B(O)O 271570a_203496583355_200011083945 [1,1,0,0,0,0|1,0,0]=3 237 B12R1.56 [13CH3]Nc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000186089_200025704644 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.56 [13CH3]Nc1cc(ccc1F)[N+](=O)[O-] 34a_100000185768_200025704644 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.56 [13CH3]Nc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200025704644 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200025704644 [1,1,0,0,0,0|2,0,0]=4 241 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200025704644 [1,1,0,0,0,0|2,0,0]=4 242 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200025704644 [1,1,0,0,0,0|2,0,0]=4 243 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200025704644 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200025704644 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200025704644 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200025704644 [1,1,0,0,0,0|2,0,0]=4 247 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200025704644 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200025704644 [1,1,0,0,0,0|2,0,0]=4 249 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200025704644 [1,1,0,0,0,0|2,0,0]=4 250 B12R1.56 [13CH3]Sc1cc(ccc1F)B(O)O 62a_100010175509_200025704644 [1,1,0,0,0,0|2,0,0]=4 251 B12R1.56 [13CH3]Sc1cc(ccc1F)B(O)O 62a_200025704644_100010175509 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.279 C=C=Cc1cccc(c1)B(O)O 271570a_100015277604_100000687717 [1,1,0,0,0,0|2,0,0]=4 253 B12R1.279 CC=Cc1cccc(c1)B(O)O 271570a_100016259895_100000687717 [1,1,0,0,0,0|2,0,0]=4 254 B12R1.279 CCNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_100000210202 [1,1,0,0,0,0|2,0,0]=4 255 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100000210202 [1,1,0,0,0,0|2,0,0]=4 256 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100000210202 [1,1,0,0,0,0|2,0,0]=4 257 B12R1.279 CCSc1cccc(c1)B(O)O 62a_100000210202_100000687717 [1,1,0,0,0,0|2,0,0]=4 258 B12R1.279 CCSc1cccc(c1)B(O)O 62a_100000687717_100000210202 [1,1,0,0,0,0|2,0,0]=4 259 B12R1.279 CNCc1cccc(c1)B(O)O 2230a_106832991635_100009814088 [1,1,0,0,0,0|1,0,1]=4 260 B12R1.279 CNCc1cccc(c1)B(O)O 34a_100102657272_100009814088 [1,1,0,0,0,0|1,0,1]=4 261 B12R1.279 CNCc1cccc(c1)B(O)O 7a_106832991635_100009814088 [1,1,0,0,0,0|1,0,1]=4 262 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 207a_100102657272_100000185827 [1,1,0,0,0,0|2,0,0]=4 263 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 2230a_100000755791_200000210301 [1,1,0,0,0,0|2,0,0]=4 264 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 2230a_106832991635_100000737091 [1,1,0,0,0,0|2,0,0]=4 265 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 26a_100102657272_100000185994 [1,1,0,0,0,0|2,0,0]=4 266 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 270004a_106832991635_100000185827 [1,1,0,0,0,0|2,0,0]=4 267 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 34a_100000755791_200000210301 [1,1,0,0,0,0|2,0,0]=4 268 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 34a_100102657272_100000737091 [1,1,0,0,0,0|2,0,0]=4 269 B12R1.279 CNCc1cccc(c1)[N+](=O)[O-] 7a_106832991635_100000737091 [1,1,0,0,0,0|2,0,0]=4 270 B12R1.279 COCc1cc(ccn1)[N+](=O)[O-] 34a_100138415774_100010177786 [1,1,0,0,0,0|2,0,0]=4 271 B12R1.279 COCc1cccc(c1)B(O)O 34a_100138415774_100009814088 [1,1,0,0,0,0|1,0,1]=4 272 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 34a_100000238370_200000210301 [1,1,0,0,0,0|1,0,0]=3 273 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 34a_100138415774_100000737091 [1,1,0,0,0,0|1,0,0]=3 274 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 7a_100000238370_200000210301 [1,1,0,0,0,0|1,0,0]=3 275 B12R1.279 CSCc1cccc(c1)B(O)O 62a_100009814088_200000210301 [1,1,0,0,0,0|1,1,0]=4 276 B12R1.279 CSCc1cccc(c1)B(O)O 62a_200000210301_100009814088 [1,1,0,0,0,0|1,1,0]=4 277 B12R1.279 CSCc1cccc(c1)[N+](=O)[O-] 62a_100000187168_200000210301 [1,1,0,0,0,0|1,1,0]=4 278 B12R1.279 CSCc1cccc(c1)[N+](=O)[O-] 62a_200000210301_100000737091 [1,1,0,0,0,0|1,1,0]=4 279 B12R1.279 O=[N+]([O-])c1cccc(c1)NCF 34a_100000184103_100015361967 [1,1,0,0,0,0|2,0,0]=4 280 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF 34a_100000185994_100015361967 [1,1,0,0,0,0|2,0,0]=4 281 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF 7a_100000185994_100015361967 [1,1,0,0,0,0|2,0,0]=4 282 B12R1.279 OB(O)c1cccc(c1)SCF 62a_100000687717_100015361967 [1,1,0,0,0,0|2,0,0]=4 283 B12R1.279 OB(O)c1cccc(c1)SCF 62a_100015361967_100000687717 [1,1,0,0,0,0|2,0,0]=4 284 B12R1.279 [13CH3]NCc1cccc(c1)[N+](=O)[O-] 2230a_100000755791_200025704644 [1,1,0,0,0,0|2,0,0]=4 285 B12R1.279 [13CH3]NCc1cccc(c1)[N+](=O)[O-] 34a_100000755791_200025704644 [1,1,0,0,0,0|2,0,0]=4 286 B12R1.279 [13CH3]OCc1cccc(c1)[N+](=O)[O-] 34a_100000238370_200025704644 [1,1,0,0,0,0|1,0,0]=3 287 B12R1.279 [13CH3]OCc1cccc(c1)[N+](=O)[O-] 7a_100000238370_200025704644 [1,1,0,0,0,0|1,0,0]=3 288 B12R1.279 [13CH3]SCc1cccc(c1)B(O)O 62a_100009814088_200025704644 [1,1,0,0,0,0|1,1,0]=4 289 B12R1.279 [13CH3]SCc1cccc(c1)B(O)O 62a_200025704644_100009814088 [1,1,0,0,0,0|1,1,0]=4 290 B12R1.279 [13CH3]SCc1cccc(c1)[N+](=O)[O-] 62a_100000187168_200025704644 [1,1,0,0,0,0|1,1,0]=4 291 B12R1.279 [13CH3]SCc1cccc(c1)[N+](=O)[O-] 62a_200025704644_100000737091 [1,1,0,0,0,0|1,1,0]=4 292 B12R1.440 C=Cc1cccc(c1C)B(O)O 271570a_100011290941_100000724322 [1,1,0,0,0,0|2,0,0]=4 293 B12R1.440 C=Cc1cccc(c1F)B(O)O 271570a_100011290941_100011934463 [1,1,0,0,0,0|2,0,0]=4 294 B12R1.440 CNc1cccc(c1F)[N+](=O)[O-] 34a_100000055607_200000210301 [1,1,0,0,0,0|2,0,0]=4 295 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] 34a_100010197803_200000210301 [1,1,0,0,0,0|2,0,0]=4 296 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] 7a_100010197803_200000210301 [1,1,0,0,0,0|2,0,0]=4 297 B12R1.440 COc1cccc(c1C)[N+](=O)[O-] 34a_100000740326_200000210301 [1,1,0,0,0,0|2,0,0]=4 298 B12R1.440 COc1cccc(c1C)[N+](=O)[O-] 7a_100000740326_200000210301 [1,1,0,0,0,0|2,0,0]=4 299 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] 34a_100012001863_200000210301 [1,1,0,0,0,0|2,0,0]=4 300 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] 7a_100012001863_200000210301 [1,1,0,0,0,0|2,0,0]=4 301 B12R1.440 COc1cccc(c1F)[N+](=O)[O-] 34a_100000100933_200000210301 [1,1,0,0,0,0|2,0,0]=4 302 B12R1.440 COc1cccc(c1F)[N+](=O)[O-] 7a_100000100933_200000210301 [1,1,0,0,0,0|2,0,0]=4 303 B12R1.440 COc1cccc(c1I)[N+](=O)[O-] 7a_100010176071_200000210301 [1,1,0,0,0,0|2,0,0]=4 304 B12R1.440 COc1cccc(c1N)[N+](=O)[O-] 7a_100000739591_200000210301 [1,1,0,0,0,0|2,0,0]=4 305 B12R1.440 CSc1cccc(c1C)B(O)O 62a_100000724322_200000210301 [1,1,0,0,0,0|2,0,0]=4 306 B12R1.440 CSc1cccc(c1C)B(O)O 62a_200000210301_100000724322 [1,1,0,0,0,0|2,0,0]=4 307 B12R1.440 CSc1cccc(c1F)B(O)O 62a_100011934463_200000210301 [1,1,0,0,0,0|2,0,0]=4 308 B12R1.440 CSc1cccc(c1F)B(O)O 62a_200000210301_100011934463 [1,1,0,0,0,0|2,0,0]=4 309 B12R1.440 Cc1c(cccc1B(O)O)S[13CH3] 62a_100000724322_200025704644 [1,1,0,0,0,0|2,0,0]=4 310 B12R1.440 Cc1c(cccc1B(O)O)S[13CH3] 62a_200025704644_100000724322 [1,1,0,0,0,0|2,0,0]=4 311 B12R1.440 Cc1c(cccc1[N+](=O)[O-])O[13CH3] 34a_100000740326_200025704644 [1,1,0,0,0,0|2,0,0]=4 312 B12R1.440 Cc1c(cccc1[N+](=O)[O-])O[13CH3] 7a_100000740326_200025704644 [1,1,0,0,0,0|2,0,0]=4 313 B12R1.440 [13CH3]Nc1cccc(c1F)[N+](=O)[O-] 34a_100000055607_200025704644 [1,1,0,0,0,0|2,0,0]=4 314 B12R1.440 [13CH3]Oc1cccc(c1Br)[N+](=O)[O-] 34a_100010197803_200025704644 [1,1,0,0,0,0|2,0,0]=4 315 B12R1.440 [13CH3]Oc1cccc(c1Br)[N+](=O)[O-] 7a_100010197803_200025704644 [1,1,0,0,0,0|2,0,0]=4 316 B12R1.440 [13CH3]Oc1cccc(c1Cl)[N+](=O)[O-] 34a_100012001863_200025704644 [1,1,0,0,0,0|2,0,0]=4 317 B12R1.440 [13CH3]Oc1cccc(c1Cl)[N+](=O)[O-] 7a_100012001863_200025704644 [1,1,0,0,0,0|2,0,0]=4 318 B12R1.440 [13CH3]Oc1cccc(c1F)[N+](=O)[O-] 34a_100000100933_200025704644 [1,1,0,0,0,0|2,0,0]=4 319 B12R1.440 [13CH3]Oc1cccc(c1F)[N+](=O)[O-] 7a_100000100933_200025704644 [1,1,0,0,0,0|2,0,0]=4 320 B12R1.440 [13CH3]Oc1cccc(c1I)[N+](=O)[O-] 7a_100010176071_200025704644 [1,1,0,0,0,0|2,0,0]=4 321 B12R1.440 [13CH3]Oc1cccc(c1N)[N+](=O)[O-] 7a_100000739591_200025704644 [1,1,0,0,0,0|2,0,0]=4 322 B12R1.440 [13CH3]Sc1cccc(c1F)B(O)O 62a_100011934463_200025704644 [1,1,0,0,0,0|2,0,0]=4 323 B12R1.440 [13CH3]Sc1cccc(c1F)B(O)O 62a_200025704644_100011934463 [1,1,0,0,0,0|2,0,0]=4 324 B12R1.453 C=Cc1ccc(c(c1)B(O)O)Br 271570a_100011290941_200010171685 [1,1,0,0,0,0|2,0,0]=4 325 B12R1.453 C=Cc1ccc(c(c1)B(O)O)C 271570a_100011290941_100010223188 [1,1,0,0,0,0|2,0,0]=4 326 B12R1.453 C=Cc1ccc(c(c1)B(O)O)F 271570a_100011290941_100011356809 [1,1,0,0,0,0|2,0,0]=4 327 B12R1.453 C=Cc1ccc(c(c1)B(O)O)O 271570a_100011290941_200009814749 [1,1,0,0,0,0|2,0,0]=4 328 B12R1.453 CNc1ccc(c(c1)[N+](=O)[O-])C 34a_100000210030_200000210301 [1,1,0,0,0,0|2,0,0]=4 329 B12R1.453 CNc1ccc(c(c1)[N+](=O)[O-])F 34a_100000185763_200000210301 [1,1,0,0,0,0|2,0,0]=4 330 B12R1.453 COc1ccc(c(c1)B(O)O)O 271570a_203496583355_100009814730 [1,1,0,0,0,0|2,0,0]=4 331 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br 34a_100012232398_200000210301 [1,1,0,0,0,0|2,0,0]=4 332 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br 7a_100012232398_200000210301 [1,1,0,0,0,0|2,0,0]=4 333 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])C 34a_100000742313_200000210301 [1,1,0,0,0,0|2,0,0]=4 334 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])C 7a_100000742313_200000210301 [1,1,0,0,0,0|2,0,0]=4 335 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl 34a_100000718020_200000210301 [1,1,0,0,0,0|2,0,0]=4 336 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000718020_200000210301 [1,1,0,0,0,0|2,0,0]=4 337 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])F 34a_100011294462_200000210301 [1,1,0,0,0,0|2,0,0]=4 338 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])F 7a_100011294462_200000210301 [1,1,0,0,0,0|2,0,0]=4 339 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])I 7a_100000031453_200000210301 [1,1,0,0,0,0|2,0,0]=4 340 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])N 34a_100000740891_200000210301 [1,1,0,0,0,0|2,0,0]=4 341 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])N 7a_100000740891_200000210301 [1,1,0,0,0,0|2,0,0]=4 342 B12R1.453 CSc1ccc(c(c1)B(O)O)Br 62a_200000210301_200010171685 [1,1,0,0,0,0|2,0,0]=4 343 B12R1.453 CSc1ccc(c(c1)B(O)O)Br 62a_200010171685_200000210301 [1,1,0,0,0,0|2,0,0]=4 344 B12R1.453 CSc1ccc(c(c1)B(O)O)C 62a_100010223188_200000210301 [1,1,0,0,0,0|2,0,0]=4 345 B12R1.453 CSc1ccc(c(c1)B(O)O)C 62a_200000210301_100010223188 [1,1,0,0,0,0|2,0,0]=4 346 B12R1.453 CSc1ccc(c(c1)B(O)O)F 62a_100011356809_200000210301 [1,1,0,0,0,0|2,0,0]=4 347 B12R1.453 CSc1ccc(c(c1)B(O)O)F 62a_200000210301_100011356809 [1,1,0,0,0,0|2,0,0]=4 348 B12R1.453 Cc1ccc(cc1B(O)O)S[13CH3] 62a_100010223188_200025704644 [1,1,0,0,0,0|2,0,0]=4 349 B12R1.453 Cc1ccc(cc1B(O)O)S[13CH3] 62a_200025704644_100010223188 [1,1,0,0,0,0|2,0,0]=4 350 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])N[13CH3] 34a_100000210030_200025704644 [1,1,0,0,0,0|2,0,0]=4 351 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])O[13CH3] 34a_100000742313_200025704644 [1,1,0,0,0,0|2,0,0]=4 352 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])O[13CH3] 7a_100000742313_200025704644 [1,1,0,0,0,0|2,0,0]=4 353 B12R1.453 N#Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_100000068296 [1,1,0,0,0,0|2,0,0]=4 354 B12R1.453 O=Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_100000068294 [1,1,0,0,0,0|1,0,0]=3 355 B12R1.453 [13CH3]Nc1ccc(c(c1)[N+](=O)[O-])F 34a_100000185763_200025704644 [1,1,0,0,0,0|2,0,0]=4 356 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Br 34a_100012232398_200025704644 [1,1,0,0,0,0|2,0,0]=4 357 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Br 7a_100012232398_200025704644 [1,1,0,0,0,0|2,0,0]=4 358 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Cl 34a_100000718020_200025704644 [1,1,0,0,0,0|2,0,0]=4 359 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000718020_200025704644 [1,1,0,0,0,0|2,0,0]=4 360 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])F 34a_100011294462_200025704644 [1,1,0,0,0,0|2,0,0]=4 361 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])F 7a_100011294462_200025704644 [1,1,0,0,0,0|2,0,0]=4 362 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])I 7a_100000031453_200025704644 [1,1,0,0,0,0|2,0,0]=4 363 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])N 34a_100000740891_200025704644 [1,1,0,0,0,0|2,0,0]=4 364 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])N 7a_100000740891_200025704644 [1,1,0,0,0,0|2,0,0]=4 365 B12R1.453 [13CH3]Sc1ccc(c(c1)B(O)O)Br 62a_200010171685_200025704644 [1,1,0,0,0,0|2,0,0]=4 366 B12R1.453 [13CH3]Sc1ccc(c(c1)B(O)O)Br 62a_200025704644_200010171685 [1,1,0,0,0,0|2,0,0]=4 367 B12R1.453 [13CH3]Sc1ccc(c(c1)B(O)O)F 62a_100011356809_200025704644 [1,1,0,0,0,0|2,0,0]=4 368 B12R1.453 [13CH3]Sc1ccc(c(c1)B(O)O)F 62a_200025704644_100011356809 [1,1,0,0,0,0|2,0,0]=4 369 B14R1.676 CC(=O)Cc1cc(ccc1F)B(O)O 1458a_100000070787_100011092044 [0,1,0,0,0,1|2,0,0]=4 370 B14R1.705 CC(=O)Cc1ccc(c(c1)B(O)O)F 1458a_100000070787_200011092054 [0,1,0,0,0,1|2,0,0]=4 371 B14R1.3301 C#CC(=O)Cc1cccc(c1)B(O)O 1458a_100000211873_100009814088 [0,1,0,0,0,1|2,0,0]=4 372 B14R1.3301 C=CC(=O)Cc1cccc(c1)B(O)O 1458a_100000185746_100009814088 [0,1,0,0,0,1|2,0,0]=4 373 B14R1.3301 CC(CO)Nc1cccc(c1)[N+](=O)[O-] 34a_100000184103_100012180447 [0,1,0,0,0,1|2,0,0]=4 374 B14R1.3301 CC(CO)Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100012180447 [0,1,0,0,0,1|2,0,0]=4 375 B14R1.3301 CC(CO)Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100012180447 [0,1,0,0,0,1|2,0,0]=4 376 B14R1.3301 CCC(=O)Cc1cccc(c1)B(O)O 1458a_100000210414_100009814088 [0,1,0,0,0,1|2,0,0]=4 377 B14R1.3301 O=C(CO)Cc1cccc(c1)B(O)O 1458a_100000210174_100009814088 [0,1,0,0,0,1|1,0,1]=4 378 B14R1.3301 O=C(CO)Cc1cccc(c1)[N+](=O)[O-] 1458a_100000210174_100000737091 [0,1,0,0,0,1|1,0,1]=4 379 B14R1.3301 O=C(CO)Nc1cccc(c1)[N+](=O)[O-] 22a_100000184103_100000210174 [0,1,0,0,0,1|1,0,1]=4 380 B14R1.706 COC(=O)c1cc(ccc1O)B(O)O 271570a_203496583355_100000068110 [0,2,0,0,0,0|1,0,1]=4 381 B14R1.748 COC(=O)c1ccc(c(c1)B(O)O)O 271570a_203496583355_200000069430 [0,2,0,0,0,0|1,0,1]=4 382 B14R1.712 COC(=O)c1cc(cc(c1)B(O)O)O 271570a_203496583355_100010197230 [0,2,0,0,0,0|1,0,1]=4 383 B14R1.401 COC(CN)c1cccc(c1)[N+](=O)[O-] 34a_100025716288_200000210301 [0,2,0,0,0,0|2,0,0]=4 384 B14R1.401 [13CH3]OC(CN)c1cccc(c1)[N+](=O)[O-] 34a_100025716288_200025704644 [0,2,0,0,0,0|2,0,0]=4 385 B14R1.617 CC(OCF)c1cccc(c1)[N+](=O)[O-] 34a_100000246462_100015361967 [0,2,0,0,0,0|2,0,0]=4 386 B14R1.617 CC(OCF)c1cccc(c1)[N+](=O)[O-] 7a_100000246462_100015361967 [0,2,0,0,0,0|2,0,0]=4 387 B14R1.617 CCOC(C)c1cccc(c1)[N+](=O)[O-] 34a_100000246462_100000210202 [0,2,0,0,0,0|2,0,0]=4 388 B14R1.617 CCOC(C)c1cccc(c1)[N+](=O)[O-] 34a_100121572206_100000209821 [0,2,0,0,0,0|2,0,0]=4 389 B14R1.617 CCOC(C)c1cccc(c1)[N+](=O)[O-] 7a_100000246462_100000210202 [0,2,0,0,0,0|2,0,0]=4 390 B14R1.617 CN(CCO)c1cccc(c1)[N+](=O)[O-] 269982a_102515432896_100000211926 [0,2,0,0,0,0|2,0,0]=4 391 B14R1.617 CN(CCO)c1cccc(c1)[N+](=O)[O-] 34a_102515432896_100000211926 [0,2,0,0,0,0|2,0,0]=4 392 B14R1.617 CNCC(O)c1cccc(c1)[N+](=O)[O-] 2230a_100025716288_200000210301 [0,2,0,0,0,0|2,0,0]=4 393 B14R1.617 COCC(=O)c1cccc(c1)[N+](=O)[O-] 34a_100138415774_100000211440 [0,2,0,0,0,0|1,0,1]=4 394 B14R1.617 COCN(C)c1cccc(c1)[N+](=O)[O-] 269982a_102515432896_100000766300 [0,2,0,0,0,0|2,0,0]=4 395 B14R1.617 O=C(CCO)c1cccc(c1)[N+](=O)[O-] 1458a_100000185806_100000211926 [0,2,0,0,0,0|1,0,1]=4 396 B14R1.617 [13CH3]NCC(O)c1cccc(c1)[N+](=O)[O-] 2230a_100025716288_200025704644 [0,2,0,0,0,0|2,0,0]=4 397 B14R1.6355 CC(O)CNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_100011218427 [0,0,0,0,0,2|2,0,0]=4 398 B14R1.6355 CC(O)COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100011218427 [0,0,0,0,0,2|2,0,0]=4 399 B14R1.6355 CC(O)COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100011218427 [0,0,0,0,0,2|2,0,0]=4 400 B14R1.6355 CC(O)c1cccc(c1)NC[N+](=O)[O-] 34a_100011217120_100000761209 [0,0,0,0,0,2|2,0,0]=4 401 B14R1.6355 CC(O)c1cccc(c1)OC[N+](=O)[O-] 34a_100000748013_100000761209 [0,0,0,0,0,2|2,0,0]=4 402 B14R1.6355 CC(O)c1cccc(c1)SC[N+](=O)[O-] 62a_100000246457_100000761209 [0,0,0,0,0,2|2,0,0]=4 403 B14R1.6355 C[C@@H](O)CNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_100009817552 [0,0,0,0,0,2|2,0,0]=4 404 B14R1.6355 C[C@@H](O)COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100009817552 [0,0,0,0,0,2|2,0,0]=4 405 B14R1.6355 C[C@@H](O)COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100009817552 [0,0,0,0,0,2|2,0,0]=4 406 B14R1.6355 NC(=O)CSc1cccc(c1)B(O)O 62a_100000687717_100000747473 [0,0,0,0,0,2|2,0,0]=4 407 B14R1.6355 NC(=O)CSc1cccc(c1)B(O)O 62a_100000747473_100000687717 [0,0,0,0,0,2|2,0,0]=4 408 B14R1.6355 O=C([O-])CSc1cc(ccn1)B(O)O 62a_100000049459_100020667443 [0,0,0,0,0,2|2,0,0]=4 409 B14R1.6355 O=C([O-])CSc1cc(ccn1)B(O)O 62a_100020667443_100000049459 [0,0,0,0,0,2|2,0,0]=4 410 B14R1.6355 O=C([O-])CSc1cccc(c1)B(O)O 62a_100000687717_100020667443 [0,0,0,0,0,2|1,0,0]=3 411 B14R1.6355 O=C([O-])CSc1cccc(c1)B(O)O 62a_100020667443_100000687717 [0,0,0,0,0,2|1,0,0]=3 412 B14R1.6355 O=C([O-])CSc1cccc(n1)B(O)O 62a_100000117343_100020667443 [0,0,0,0,0,2|2,0,0]=4 413 B14R1.6355 O=C([O-])CSc1cccc(n1)B(O)O 62a_100020667443_100000117343 [0,0,0,0,0,2|2,0,0]=4 414 B14R1.6355 O=C([O-])CSc1cncc(c1)B(O)O 62a_100020667443_200009814628 [0,0,0,0,0,2|2,0,0]=4 415 B14R1.6355 O=C([O-])CSc1cncc(c1)B(O)O 62a_200009814628_100020667443 [0,0,0,0,0,2|2,0,0]=4 416 B14R1.6355 O=[N+]([O-])CSc1cc(ccn1)B(O)O 62a_100000049459_100000761209 [0,0,0,0,0,2|1,0,0]=3 417 B14R1.6355 O=[N+]([O-])CSc1cccc(c1)B(O)O 62a_100000687717_100000761209 [0,0,0,0,0,2|0,0,0]=2 418 B14R1.6355 O=[N+]([O-])CSc1cccc(n1)B(O)O 62a_100000117343_100000761209 [0,0,0,0,0,2|1,0,0]=3 419 B14R1.6355 O=[N+]([O-])CSc1cncc(c1)B(O)O 62a_200009814628_100000761209 [0,0,0,0,0,2|1,0,0]=3