0 B11R1.22 CC(C#N)c1ccc(cc1)O 271570a_203496583355_100000695319 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.22 CC(N[13CH3])c1ccc(cn1)Br 2230a_100000723930_200025704644 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 34a_100012353650_200025704644 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 7a_100012353650_200025704644 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 34a_200010274204_200025704644 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 7a_200010274204_200025704644 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 34a_200012017543_200025704644 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 7a_200012017543_200025704644 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_100000755118_200025704644 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_200025704644_100000755118 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_100000684792_200025704644 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_200025704644_100000684792 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_100000743420_200025704644 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_200025704644_100000743420 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.22 CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210202 [0,0,0,0,0,0|2,0,2]=4 20 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [0,0,0,0,0,0|2,0,1]=3 21 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210202 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219632_200000210301 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000204670 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219632_200000210301 [0,0,0,0,0,0|3,0,1]=4 26 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219623_100000210202 [0,0,0,0,0,0|3,0,1]=4 27 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219632_200000210301 [0,0,0,0,0,0|3,0,1]=4 28 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210202 [0,0,0,0,0,0|2,0,1]=3 29 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219985_200000210301 [0,0,0,0,0,0|2,0,1]=3 30 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219977_100000204670 [0,0,0,0,0,0|2,0,1]=3 31 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219985_200000210301 [0,0,0,0,0,0|2,0,1]=3 32 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219977_100000210202 [0,0,0,0,0,0|2,0,1]=3 33 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219985_200000210301 [0,0,0,0,0,0|2,0,1]=3 34 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100000220165_200000210301 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210202 [0,0,0,0,0,0|3,0,1]=4 36 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100000220165_200000210301 [0,0,0,0,0,0|3,0,1]=4 37 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000204670 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100000220165_200000210301 [0,0,0,0,0,0|3,0,1]=4 39 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210202 [0,0,0,0,0,0|3,0,1]=4 40 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210202 [0,0,0,0,0,0|3,0,1]=4 41 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100102640331_200000210301 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100000219829_100000204670 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100102640331_200000210301 [0,0,0,0,0,0|3,0,1]=4 44 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100000219829_100000210202 [0,0,0,0,0,0|3,0,1]=4 45 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100102640331_200000210301 [0,0,0,0,0,0|3,0,1]=4 46 B11R1.22 CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210202 [0,0,0,0,0,0|3,0,1]=4 47 B11R1.22 CCN(C)c1ccc(cc1)I 269982a_100000743151_100000204670 [0,0,0,0,0,0|3,0,1]=4 48 B11R1.22 CCN(C)c1ccc(cc1)I 34a_100000743151_100000210202 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [0,0,0,0,0,0|3,0,1]=4 52 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [0,0,0,0,0,0|3,0,1]=4 53 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [0,0,0,0,0,0|3,0,1]=4 54 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 2230a_100000219632_200025704644 [0,0,0,0,0,0|3,0,1]=4 55 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 269982a_100000219632_200025704644 [0,0,0,0,0,0|3,0,1]=4 56 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 34a_100000219632_200025704644 [0,0,0,0,0,0|3,0,1]=4 57 B11R1.22 CCN([13CH3])c1ccc(cc1)C 2230a_100000219985_200025704644 [0,0,0,0,0,0|2,0,1]=3 58 B11R1.22 CCN([13CH3])c1ccc(cc1)C 269982a_100000219985_200025704644 [0,0,0,0,0,0|2,0,1]=3 59 B11R1.22 CCN([13CH3])c1ccc(cc1)C 34a_100000219985_200025704644 [0,0,0,0,0,0|2,0,1]=3 60 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 2230a_100000220165_200025704644 [0,0,0,0,0,0|3,0,1]=4 61 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 269982a_100000220165_200025704644 [0,0,0,0,0,0|3,0,1]=4 62 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 34a_100000220165_200025704644 [0,0,0,0,0,0|3,0,1]=4 63 B11R1.22 CCN([13CH3])c1ccc(cc1)F 2230a_100102640331_200025704644 [0,0,0,0,0,0|3,0,1]=4 64 B11R1.22 CCN([13CH3])c1ccc(cc1)F 269982a_100102640331_200025704644 [0,0,0,0,0,0|3,0,1]=4 65 B11R1.22 CCN([13CH3])c1ccc(cc1)F 34a_100102640331_200025704644 [0,0,0,0,0,0|3,0,1]=4 66 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [0,0,0,0,0,0|3,0,1]=4 67 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [0,0,0,0,0,0|3,0,1]=4 68 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [0,0,0,0,0,0|3,0,1]=4 69 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [0,0,0,0,0,0|3,0,1]=4 70 B11R1.22 CN(CF)c1ccc(cc1)Br 269982a_100000219623_100015361967 [0,0,0,0,0,0|3,0,1]=4 71 B11R1.22 CN(CF)c1ccc(cc1)Br 34a_100000219623_100015361967 [0,0,0,0,0,0|3,0,1]=4 72 B11R1.22 CN(CF)c1ccc(cc1)Cl 269982a_100020629279_100015361967 [0,0,0,0,0,0|3,0,1]=4 73 B11R1.22 CN(CF)c1ccc(cc1)Cl 34a_100020629279_100015361967 [0,0,0,0,0,0|3,0,1]=4 74 B11R1.22 CN(CF)c1ccc(cc1)F 269982a_100000219829_100015361967 [0,0,0,0,0,0|3,0,1]=4 75 B11R1.22 CN(CF)c1ccc(cc1)F 34a_100000219829_100015361967 [0,0,0,0,0,0|3,0,1]=4 76 B11R1.22 CN(CF)c1ccc(cc1)I 269982a_100000743151_100015361967 [0,0,0,0,0,0|3,0,1]=4 77 B11R1.22 CN(CF)c1ccc(cc1)I 34a_100000743151_100015361967 [0,0,0,0,0,0|3,0,1]=4 78 B11R1.22 CN(CF)c1ccc(cc1)O 269982a_100000182112_100015361967 [0,0,0,0,0,0|3,0,1]=4 79 B11R1.22 CN(CF)c1ccc(cc1)O 34a_100000182112_100015361967 [0,0,0,0,0,0|3,0,1]=4 80 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [0,0,0,0,0,0|3,0,1]=4 81 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [0,0,0,0,0,0|3,0,1]=4 82 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [0,0,0,0,0,0|3,0,1]=4 83 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [0,0,0,0,0,0|3,0,1]=4 84 B11R1.22 CNC(C)c1cc[n+](cc1)[O-] 269862a_106832991636_100000076990 [0,0,0,0,0,0|4,0,0]=4 85 B11R1.22 CNC(C)c1ccc(cc1)Br 2230a_106832991635_100000755118 [0,0,0,0,0,0|3,0,0]=3 86 B11R1.22 CNC(C)c1ccc(cc1)Br 269862a_106832991636_100000185794 [0,0,0,0,0,0|3,0,0]=3 87 B11R1.22 CNC(C)c1ccc(cc1)Br 34a_100102657272_100000755118 [0,0,0,0,0,0|3,0,0]=3 88 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [0,0,0,0,0,0|2,0,0]=2 89 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [0,0,0,0,0,0|2,0,0]=2 90 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [0,0,0,0,0,0|2,0,0]=2 91 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [0,0,0,0,0,0|2,0,0]=2 92 B11R1.22 CNC(C)c1ccc(cc1)Cl 2230a_106832991635_100000684792 [0,0,0,0,0,0|3,0,0]=3 93 B11R1.22 CNC(C)c1ccc(cc1)Cl 269862a_106832991636_100000185797 [0,0,0,0,0,0|3,0,0]=3 94 B11R1.22 CNC(C)c1ccc(cc1)Cl 7a_106832991635_100000684792 [0,0,0,0,0,0|3,0,0]=3 95 B11R1.22 CNC(C)c1ccc(cc1)F 2230a_106832991635_100000743420 [0,0,0,0,0,0|3,0,0]=3 96 B11R1.22 CNC(C)c1ccc(cc1)F 269862a_106832991636_100000185800 [0,0,0,0,0,0|3,0,0]=3 97 B11R1.22 CNC(C)c1ccc(cc1)F 34a_100102657272_100000743420 [0,0,0,0,0,0|3,0,0]=3 98 B11R1.22 CNC(C)c1ccc(cc1)F 7a_106832991635_100000743420 [0,0,0,0,0,0|3,0,0]=3 99 B11R1.22 CNC(C)c1ccc(cc1)I 269862a_106832991636_100000185465 [0,0,0,0,0,0|3,0,0]=3 100 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [0,0,0,0,0,0|3,0,0]=3 101 B11R1.22 CNC(C)c1ccc(cn1)Br 2230a_100000723930_200000210301 [0,0,0,0,0,0|4,0,0]=4 102 B11R1.22 CNC(C)c1ccc(cn1)Br 269862a_106832991636_100000686046 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.22 CNC(C)c1ccc(cn1)Br 270004a_106832991635_100000686046 [0,0,0,0,0,0|4,0,0]=4 104 B11R1.22 CNC(C)c1ccc(cn1)C 269862a_106832991636_100000084104 [0,0,0,0,0,0|3,0,0]=3 105 B11R1.22 CNC(C)c1ccc(cn1)C 270004a_106832991635_100000084104 [0,0,0,0,0,0|3,0,0]=3 106 B11R1.22 CNC(C)c1ccc(cn1)Cl 269862a_106832991636_100000692432 [0,0,0,0,0,0|4,0,0]=4 107 B11R1.22 CNC(C)c1ccc(cn1)Cl 270004a_106832991635_100000692432 [0,0,0,0,0,0|4,0,0]=4 108 B11R1.22 CNC(C)c1ccc(cn1)F 269862a_106832991636_100102946652 [0,0,0,0,0,0|4,0,0]=4 109 B11R1.22 CNC(C)c1ccc(cn1)F 270004a_106832991635_100102946652 [0,0,0,0,0,0|4,0,0]=4 110 B11R1.22 CNC(C)c1ccc(nc1)Br 269862a_106832991636_100000684857 [0,0,0,0,0,0|4,0,0]=4 111 B11R1.22 CNC(C)c1ccc(nc1)C 2230a_100011815741_200000210301 [0,0,0,0,0,0|3,0,0]=3 112 B11R1.22 CNC(C)c1ccc(nc1)C 269862a_106832991636_100011280547 [0,0,0,0,0,0|3,0,0]=3 113 B11R1.22 CNC(C)c1ccc(nc1)C 34a_100011815741_200000210301 [0,0,0,0,0,0|3,0,0]=3 114 B11R1.22 CNC(C)c1ccc(nc1)Cl 269862a_106832991636_100000690552 [0,0,0,0,0,0|4,0,0]=4 115 B11R1.22 CNC(C)c1ccc(nc1)F 269862a_106832991636_100000085738 [0,0,0,0,0,0|4,0,0]=4 116 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_200000210301 [0,0,0,0,0,0|3,0,0]=3 117 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_200000210301 [0,0,0,0,0,0|3,0,0]=3 118 B11R1.22 CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_200000210301 [0,0,0,0,0,0|3,0,0]=3 119 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [0,0,0,0,0,0|3,0,0]=3 120 B11R1.22 CN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_200000210301 [0,0,0,0,0,0|4,0,0]=4 121 B11R1.22 CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_200000210301 [0,0,0,0,0,0|3,0,0]=3 122 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [0,0,0,0,0,0|2,0,0]=2 123 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [0,0,0,0,0,0|2,0,0]=2 124 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_200000210301 [0,0,0,0,0,0|3,0,0]=3 125 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_200000210301 [0,0,0,0,0,0|3,0,0]=3 126 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [0,0,0,0,0,0|3,0,0]=3 127 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [0,0,0,0,0,0|3,0,0]=3 128 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [0,0,0,0,0,0|3,0,0]=3 129 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [0,0,0,0,0,0|2,0,0]=2 130 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [0,0,0,0,0,0|3,0,0]=3 131 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [0,0,0,0,0,0|3,0,0]=3 132 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [0,0,0,0,0,0|3,0,0]=3 133 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [0,0,0,0,0,0|3,0,0]=3 134 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [0,0,0,0,0,0|3,0,0]=3 135 B11R1.22 COC(C)c1ccc(cn1)Br 34a_100012353650_200000210301 [0,0,0,0,0,0|4,0,0]=4 136 B11R1.22 COC(C)c1ccc(cn1)Br 7a_100012353650_200000210301 [0,0,0,0,0,0|4,0,0]=4 137 B11R1.22 COC(C)c1ccc(nc1)Br 34a_200010274204_200000210301 [0,0,0,0,0,0|4,0,0]=4 138 B11R1.22 COC(C)c1ccc(nc1)Br 7a_200010274204_200000210301 [0,0,0,0,0,0|4,0,0]=4 139 B11R1.22 COC(C)c1ccc(nc1)C 34a_200011815720_200000210301 [0,0,0,0,0,0|3,0,0]=3 140 B11R1.22 COC(C)c1ccc(nc1)C 7a_200011815720_200000210301 [0,0,0,0,0,0|3,0,0]=3 141 B11R1.22 COC(C)c1ccc(nc1)Cl 34a_200012017543_200000210301 [0,0,0,0,0,0|4,0,0]=4 142 B11R1.22 COC(C)c1ccc(nc1)Cl 7a_200012017543_200000210301 [0,0,0,0,0,0|4,0,0]=4 143 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [0,0,0,0,0,0|3,0,0]=3 144 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [0,0,0,0,0,0|3,0,0]=3 145 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [0,0,0,0,0,0|2,0,0]=2 146 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [0,0,0,0,0,0|2,0,0]=2 147 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_100000755118_200000210301 [0,0,0,0,0,0|3,0,0]=3 148 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_200000210301_100000755118 [0,0,0,0,0,0|3,0,0]=3 149 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [0,0,0,0,0,0|2,0,0]=2 150 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [0,0,0,0,0,0|2,0,0]=2 151 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_100000684792_200000210301 [0,0,0,0,0,0|3,0,0]=3 152 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_200000210301_100000684792 [0,0,0,0,0,0|3,0,0]=3 153 B11R1.22 CSC(C)c1ccc(cc1)F 62a_100000743420_200000210301 [0,0,0,0,0,0|3,0,0]=3 154 B11R1.22 CSC(C)c1ccc(cc1)F 62a_200000210301_100000743420 [0,0,0,0,0,0|3,0,0]=3 155 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Br 2230a_100000720352_200025704644 [0,0,0,0,0,0|3,0,0]=3 156 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015205461_200025704644 [0,0,0,0,0,0|3,0,0]=3 157 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 34a_100015205461_200025704644 [0,0,0,0,0,0|3,0,0]=3 158 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 2230a_100025705893_200025704644 [0,0,0,0,0,0|3,0,0]=3 159 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 34a_100025705893_200025704644 [0,0,0,0,0,0|3,0,0]=3 160 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)I 2230a_100000753911_200025704644 [0,0,0,0,0,0|3,0,0]=3 161 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [0,0,0,0,0,0|3,0,0]=3 162 B11R1.22 C[C@H](N[13CH3])c1ccc(nc1)Br 2230a_100015387476_200025704644 [0,0,0,0,0,0|4,0,0]=4 163 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [0,0,0,0,0,0|3,0,0]=3 164 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [0,0,0,0,0,0|3,0,0]=3 165 B11R1.22 Cc1ccc(cc1)C(=O)CF 1458a_100000188618_100015361967 [0,0,0,0,0,0|2,0,2]=4 166 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [0,0,0,0,0,0|2,0,0]=2 167 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [0,0,0,0,0,0|2,0,0]=2 168 B11R1.22 Cc1ccc(cc1)N(C)CF 269982a_100000219977_100015361967 [0,0,0,0,0,0|2,0,1]=3 169 B11R1.22 Cc1ccc(cc1)N(C)CF 34a_100000219977_100015361967 [0,0,0,0,0,0|2,0,1]=3 170 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [0,0,0,0,0,0|2,0,0]=2 171 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [0,0,0,0,0,0|2,0,0]=2 172 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [0,0,0,0,0,0|2,0,0]=2 173 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [0,0,0,0,0,0|2,0,0]=2 174 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 2230a_100011815741_200025704644 [0,0,0,0,0,0|3,0,0]=3 175 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 34a_100011815741_200025704644 [0,0,0,0,0,0|3,0,0]=3 176 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 34a_200011815720_200025704644 [0,0,0,0,0,0|3,0,0]=3 177 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 7a_200011815720_200025704644 [0,0,0,0,0,0|3,0,0]=3 178 B11R1.22 N#CC(N)c1ccc(cc1)O 271570a_203496583355_106722365845 [0,0,0,0,0,0|3,0,1]=4 179 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [0,0,0,0,0,0|2,0,2]=4 180 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [0,0,0,0,0,0|3,0,1]=4 181 B11R1.22 O=CC(=O)c1ccc(cc1)O 271570a_203496583355_100000725942 [0,0,0,0,0,0|2,0,1]=3 182 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [0,0,0,0,0,0|2,0,2]=4 183 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [0,0,0,0,0,0|4,0,0]=4 184 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [0,0,0,0,0,0|4,0,0]=4 185 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [0,0,0,0,0,0|4,0,0]=4 186 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [0,0,0,0,0,0|4,0,0]=4 187 B10R1.1 C/C=C/c1ccc(cc1)O 271570a_203496583355_100016259036 [1,0,0,0,0,0|2,0,1]=4 188 B10R1.1 C=C=Cc1ccc(cc1)C 271570a_100015277604_100000186775 [1,0,0,0,0,0|1,0,2]=4 189 B10R1.1 CC=Cc1ccc(cc1)Br 271570a_100016259895_100000752885 [1,0,0,0,0,0|2,0,1]=4 190 B10R1.1 CC=Cc1ccc(cc1)C 271570a_100016259895_100000186775 [1,0,0,0,0,0|1,0,1]=3 191 B10R1.1 CC=Cc1ccc(cc1)Cl 271570a_100016259895_100000755918 [1,0,0,0,0,0|2,0,1]=4 192 B10R1.1 CC=Cc1ccc(cc1)F 271570a_100016259895_100000211213 [1,0,0,0,0,0|2,0,1]=4 193 B10R1.1 CC=Cc1ccc(cc1)N 271570a_100016259895_100000185761 [1,0,0,0,0,0|2,0,1]=4 194 B10R1.1 CC=Cc1ccc(cc1)O 271570a_100016259895_100000185759 [1,0,0,0,0,0|2,0,1]=4 195 B10R1.1 CC=Cc1ccc(cn1)C 271570a_100016259895_100000754016 [1,0,0,0,0,0|2,0,1]=4 196 B10R1.1 CC=Cc1ccc(nc1)C 271570a_100016259895_100000751577 [1,0,0,0,0,0|2,0,1]=4 197 B10R1.1 CCCc1ccc(cc1)O 271570a_203496583355_100000750032 [1,0,0,0,0,0|2,0,1]=4 198 B10R1.1 CCNc1ccc(cc1)C 34a_100000124888_100000210202 [1,0,0,0,0,0|2,0,1]=4 199 B10R1.1 CCOc1ccc(cc1)C 34a_100000210336_100000210202 [1,0,0,0,0,0|2,0,1]=4 200 B10R1.1 CCOc1ccc(cc1)C 7a_100000210336_100000210202 [1,0,0,0,0,0|2,0,1]=4 201 B10R1.1 CCSc1ccc(cc1)C 62a_100000186775_100000210202 [1,0,0,0,0,0|2,0,1]=4 202 B10R1.1 CCSc1ccc(cc1)C 62a_100000210202_100000186775 [1,0,0,0,0,0|2,0,1]=4 203 B10R1.1 CNCc1ccc(cc1)Br 207a_100102657272_100000186029 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.1 CNCc1ccc(cc1)Br 2230a_100000174875_200000210301 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.1 CNCc1ccc(cc1)Br 2230a_106832991635_100011217064 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.1 CNCc1ccc(cc1)Br 26a_100102657272_100000185759 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.1 CNCc1ccc(cc1)Br 270004a_106832991635_100000186029 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.1 CNCc1ccc(cc1)Br 34a_100000174875_200000210301 [1,0,0,0,0,0|3,0,0]=4 209 B10R1.1 CNCc1ccc(cc1)Br 34a_100102657272_100000189115 [1,0,0,0,0,0|3,0,0]=4 210 B10R1.1 CNCc1ccc(cc1)Br 7a_106832991635_100011217064 [1,0,0,0,0,0|3,0,0]=4 211 B10R1.1 CNCc1ccc(cc1)C 207a_100102657272_100000211033 [1,0,0,0,0,0|2,0,0]=3 212 B10R1.1 CNCc1ccc(cc1)C 2230a_100000174908_200000210301 [1,0,0,0,0,0|2,0,0]=3 213 B10R1.1 CNCc1ccc(cc1)C 2230a_106832991635_100000210814 [1,0,0,0,0,0|2,0,0]=3 214 B10R1.1 CNCc1ccc(cc1)C 26a_100102657272_200020625495 [1,0,0,0,0,0|2,0,0]=3 215 B10R1.1 CNCc1ccc(cc1)C 270004a_106832991635_100000211033 [1,0,0,0,0,0|2,0,0]=3 216 B10R1.1 CNCc1ccc(cc1)C 34a_100000174908_200000210301 [1,0,0,0,0,0|2,0,0]=3 217 B10R1.1 CNCc1ccc(cc1)C 34a_100102657272_100000210814 [1,0,0,0,0,0|2,0,0]=3 218 B10R1.1 CNCc1ccc(cc1)C 7a_106832991635_100000210814 [1,0,0,0,0,0|2,0,0]=3 219 B10R1.1 CNCc1ccc(cc1)Cl 207a_100102657272_100000189385 [1,0,0,0,0,0|3,0,0]=4 220 B10R1.1 CNCc1ccc(cc1)Cl 2230a_100000174871_200000210301 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.1 CNCc1ccc(cc1)Cl 2230a_106832991635_100000694040 [1,0,0,0,0,0|3,0,0]=4 222 B10R1.1 CNCc1ccc(cc1)Cl 270004a_106832991635_100000189385 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.1 CNCc1ccc(cc1)Cl 34a_100000174871_200000210301 [1,0,0,0,0,0|3,0,0]=4 224 B10R1.1 CNCc1ccc(cc1)Cl 34a_100102657272_100000694040 [1,0,0,0,0,0|3,0,0]=4 225 B10R1.1 CNCc1ccc(cc1)Cl 7a_106832991635_100000187161 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.1 CNCc1ccc(cc1)F 207a_100102657272_100000210084 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.1 CNCc1ccc(cc1)F 2230a_100000174882_200000210301 [1,0,0,0,0,0|3,0,0]=4 228 B10R1.1 CNCc1ccc(cc1)F 2230a_106832991635_100000198546 [1,0,0,0,0,0|3,0,0]=4 229 B10R1.1 CNCc1ccc(cc1)F 270004a_106832991635_100000210084 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.1 CNCc1ccc(cc1)F 34a_100000174882_200000210301 [1,0,0,0,0,0|3,0,0]=4 231 B10R1.1 CNCc1ccc(cc1)F 34a_100102657272_100000198546 [1,0,0,0,0,0|3,0,0]=4 232 B10R1.1 CNCc1ccc(cc1)F 7a_106832991635_100000198546 [1,0,0,0,0,0|3,0,0]=4 233 B10R1.1 CNCc1ccc(cc1)I 207a_100102657272_100000188517 [1,0,0,0,0,0|3,0,0]=4 234 B10R1.1 CNCc1ccc(cc1)I 2230a_100016989417_200000210301 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.1 CNCc1ccc(cc1)I 2230a_106832991635_100000189116 [1,0,0,0,0,0|3,0,0]=4 236 B10R1.1 CNCc1ccc(cc1)I 34a_100016989417_200000210301 [1,0,0,0,0,0|3,0,0]=4 237 B10R1.1 CNCc1ccc(cc1)I 34a_100102657272_100000189116 [1,0,0,0,0,0|3,0,0]=4 238 B10R1.1 CNCc1ccc(cc1)I 7a_106832991635_100000189116 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.1 CNCc1ccc(cc1)O 271570a_203496583355_100000180866 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.1 CNCc1ccc(cc1)O 34a_100000185549_200000210301 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.1 CNCc1ccc(cn1)C 207a_100102657272_100000050478 [1,0,0,0,0,0|3,0,0]=4 242 B10R1.1 CNCc1ccc(cn1)C 2230a_106832991635_100000691093 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.1 CNCc1ccc(cn1)C 270004a_106832991635_100000050478 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.1 CNCc1ccc(cn1)C 34a_100015187455_200000210301 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.1 CNCc1ccc(cn1)C 34a_100102657272_100000691093 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.1 CNCc1ccc(cn1)C 7a_106832991635_100000691093 [1,0,0,0,0,0|3,0,0]=4 247 B10R1.1 CNCc1ccc(nc1)C 2230a_106832991635_100016987292 [1,0,0,0,0,0|3,0,0]=4 248 B10R1.1 CNCc1ccc(nc1)C 270004a_106832991635_100000743784 [1,0,0,0,0,0|3,0,0]=4 249 B10R1.1 CNCc1ccc(nc1)C 34a_100000740942_200000210301 [1,0,0,0,0,0|3,0,0]=4 250 B10R1.1 CNCc1ccc(nc1)C 34a_100102657272_100016987292 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.1 CNCc1ccc(nc1)C 7a_106832991635_100016987292 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.1 COCc1cc[n+](cc1)C 34a_100009831711_200000210301 [1,0,0,0,0,0|3,0,0]=4 253 B10R1.1 COCc1ccc(cc1)Br 34a_100000695286_200000210301 [1,0,0,0,0,0|3,0,0]=4 254 B10R1.1 COCc1ccc(cc1)Br 34a_100138415774_100000189115 [1,0,0,0,0,0|3,0,0]=4 255 B10R1.1 COCc1ccc(cc1)C 34a_100011215236_200000210301 [1,0,0,0,0,0|2,0,0]=3 256 B10R1.1 COCc1ccc(cc1)C 34a_100138415774_100000210814 [1,0,0,0,0,0|2,0,0]=3 257 B10R1.1 COCc1ccc(cc1)C 7a_100011215236_200000210301 [1,0,0,0,0,0|2,0,0]=3 258 B10R1.1 COCc1ccc(cc1)Cl 34a_100000211118_200000210301 [1,0,0,0,0,0|3,0,0]=4 259 B10R1.1 COCc1ccc(cc1)Cl 34a_100138415774_100000694040 [1,0,0,0,0,0|3,0,0]=4 260 B10R1.1 COCc1ccc(cc1)Cl 7a_100000211118_200000210301 [1,0,0,0,0,0|3,0,0]=4 261 B10R1.1 COCc1ccc(cc1)F 34a_100000210977_200000210301 [1,0,0,0,0,0|3,0,0]=4 262 B10R1.1 COCc1ccc(cc1)F 34a_100138415774_100000198546 [1,0,0,0,0,0|3,0,0]=4 263 B10R1.1 COCc1ccc(cc1)F 7a_100000210977_200000210301 [1,0,0,0,0,0|3,0,0]=4 264 B10R1.1 COCc1ccc(cc1)I 34a_100000690907_200000210301 [1,0,0,0,0,0|3,0,0]=4 265 B10R1.1 COCc1ccc(cc1)I 34a_100138415774_100000189116 [1,0,0,0,0,0|3,0,0]=4 266 B10R1.1 COCc1ccc(cc1)I 7a_100000690907_200000210301 [1,0,0,0,0,0|3,0,0]=4 267 B10R1.1 COCc1ccc(cc1)N 34a_100011215238_200000210301 [1,0,0,0,0,0|3,0,0]=4 268 B10R1.1 COCc1ccc(cc1)O 271570a_203496583355_100011493685 [1,0,0,0,0,0|3,0,0]=4 269 B10R1.1 COCc1ccc(cn1)C 34a_100012001401_200000210301 [1,0,0,0,0,0|3,0,0]=4 270 B10R1.1 COCc1ccc(cn1)C 34a_100138415774_100000691093 [1,0,0,0,0,0|3,0,0]=4 271 B10R1.1 COCc1ccc(nc1)C 34a_100011248133_200000210301 [1,0,0,0,0,0|3,0,0]=4 272 B10R1.1 COCc1ccc(nc1)C 34a_100138415774_100016987292 [1,0,0,0,0,0|3,0,0]=4 273 B10R1.1 CSCc1ccc(cc1)Br 62a_100000189115_200000210301 [1,0,0,0,0,0|3,0,0]=4 274 B10R1.1 CSCc1ccc(cc1)Br 62a_200000210301_100000189115 [1,0,0,0,0,0|3,0,0]=4 275 B10R1.1 CSCc1ccc(cc1)C 62a_100000210814_200000210301 [1,0,0,0,0,0|2,0,0]=3 276 B10R1.1 CSCc1ccc(cc1)C 62a_200000210301_100000210814 [1,0,0,0,0,0|2,0,0]=3 277 B10R1.1 CSCc1ccc(cc1)Cl 62a_100000187161_200000210301 [1,0,0,0,0,0|3,0,0]=4 278 B10R1.1 CSCc1ccc(cc1)Cl 62a_200000210301_100000187161 [1,0,0,0,0,0|3,0,0]=4 279 B10R1.1 CSCc1ccc(cc1)F 62a_100000198546_200000210301 [1,0,0,0,0,0|3,0,0]=4 280 B10R1.1 CSCc1ccc(cc1)F 62a_200000210301_100000187164 [1,0,0,0,0,0|3,0,0]=4 281 B10R1.1 CSCc1ccc(cc1)I 62a_100000189116_200000210301 [1,0,0,0,0,0|3,0,0]=4 282 B10R1.1 CSCc1ccc(cc1)I 62a_200000210301_100000189116 [1,0,0,0,0,0|3,0,0]=4 283 B10R1.1 CSCc1ccc(cn1)C 62a_100000691093_200000210301 [1,0,0,0,0,0|3,0,0]=4 284 B10R1.1 CSCc1ccc(cn1)C 62a_200000210301_100000691093 [1,0,0,0,0,0|3,0,0]=4 285 B10R1.1 CSCc1ccc(nc1)C 62a_100016987292_200000210301 [1,0,0,0,0,0|3,0,0]=4 286 B10R1.1 CSCc1ccc(nc1)C 62a_200000210301_100016987292 [1,0,0,0,0,0|3,0,0]=4 287 B10R1.1 C[n+]1ccc(cc1)CO[13CH3] 34a_100009831711_200025704644 [1,0,0,0,0,0|3,0,0]=4 288 B10R1.1 Cc1ccc(cc1)CN[13CH3] 2230a_100000174908_200025704644 [1,0,0,0,0,0|2,0,0]=3 289 B10R1.1 Cc1ccc(cc1)CN[13CH3] 34a_100000174908_200025704644 [1,0,0,0,0,0|2,0,0]=3 290 B10R1.1 Cc1ccc(cc1)CO[13CH3] 34a_100011215236_200025704644 [1,0,0,0,0,0|2,0,0]=3 291 B10R1.1 Cc1ccc(cc1)CO[13CH3] 7a_100011215236_200025704644 [1,0,0,0,0,0|2,0,0]=3 292 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_100000210814_200025704644 [1,0,0,0,0,0|2,0,0]=3 293 B10R1.1 Cc1ccc(cc1)CS[13CH3] 62a_200025704644_100000210814 [1,0,0,0,0,0|2,0,0]=3 294 B10R1.1 Cc1ccc(cc1)NCF 34a_100000124888_100015361967 [1,0,0,0,0,0|2,0,1]=4 295 B10R1.1 Cc1ccc(cc1)OCF 34a_100000210336_100015361967 [1,0,0,0,0,0|2,0,1]=4 296 B10R1.1 Cc1ccc(cc1)OCF 7a_100000210336_100015361967 [1,0,0,0,0,0|2,0,1]=4 297 B10R1.1 Cc1ccc(cc1)SCF 62a_100000186775_100015361967 [1,0,0,0,0,0|2,0,1]=4 298 B10R1.1 Cc1ccc(cc1)SCF 62a_100015361967_100000186775 [1,0,0,0,0,0|2,0,1]=4 299 B10R1.1 Cc1ccc(cn1)CN[13CH3] 34a_100000740942_200025704644 [1,0,0,0,0,0|3,0,0]=4 300 B10R1.1 Cc1ccc(cn1)CO[13CH3] 34a_100011248133_200025704644 [1,0,0,0,0,0|3,0,0]=4 301 B10R1.1 Cc1ccc(cn1)CS[13CH3] 62a_100016987292_200025704644 [1,0,0,0,0,0|3,0,0]=4 302 B10R1.1 Cc1ccc(cn1)CS[13CH3] 62a_200025704644_100016987292 [1,0,0,0,0,0|3,0,0]=4 303 B10R1.1 Cc1ccc(nc1)CN[13CH3] 34a_100015187455_200025704644 [1,0,0,0,0,0|3,0,0]=4 304 B10R1.1 Cc1ccc(nc1)CO[13CH3] 34a_100012001401_200025704644 [1,0,0,0,0,0|3,0,0]=4 305 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_100000691093_200025704644 [1,0,0,0,0,0|3,0,0]=4 306 B10R1.1 Cc1ccc(nc1)CS[13CH3] 62a_200025704644_100000691093 [1,0,0,0,0,0|3,0,0]=4 307 B10R1.1 N#CCc1ccc(cc1)O 271570a_203496583355_100011217881 [1,0,0,0,0,0|2,0,1]=4 308 B10R1.1 NCCc1ccc(cc1)O 271570a_203496583355_100000755846 [1,0,0,0,0,0|2,0,1]=4 309 B10R1.1 NNCc1ccc(cc1)O 271570a_203496583355_100016993955 [1,0,0,0,0,0|3,0,0]=4 310 B10R1.1 O=CCc1ccc(cc1)O 271570a_203496583355_100011361690 [1,0,0,0,0,0|1,0,0]=2 311 B10R1.1 OCCc1ccc(cc1)O 271570a_203496583355_100000766406 [1,0,0,0,0,0|1,0,2]=4 312 B10R1.1 Oc1ccc(cc1)/C=C/Br 271570a_203496583355_200016255901 [1,0,0,0,0,0|2,0,1]=4 313 B10R1.1 [13CH3]NCc1ccc(cc1)Br 2230a_100000174875_200025704644 [1,0,0,0,0,0|3,0,0]=4 314 B10R1.1 [13CH3]NCc1ccc(cc1)Br 34a_100000174875_200025704644 [1,0,0,0,0,0|3,0,0]=4 315 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 2230a_100000174871_200025704644 [1,0,0,0,0,0|3,0,0]=4 316 B10R1.1 [13CH3]NCc1ccc(cc1)Cl 34a_100000174871_200025704644 [1,0,0,0,0,0|3,0,0]=4 317 B10R1.1 [13CH3]NCc1ccc(cc1)F 2230a_100000174882_200025704644 [1,0,0,0,0,0|3,0,0]=4 318 B10R1.1 [13CH3]NCc1ccc(cc1)F 34a_100000174882_200025704644 [1,0,0,0,0,0|3,0,0]=4 319 B10R1.1 [13CH3]NCc1ccc(cc1)I 2230a_100016989417_200025704644 [1,0,0,0,0,0|3,0,0]=4 320 B10R1.1 [13CH3]NCc1ccc(cc1)I 34a_100016989417_200025704644 [1,0,0,0,0,0|3,0,0]=4 321 B10R1.1 [13CH3]NCc1ccc(cc1)O 34a_100000185549_200025704644 [1,0,0,0,0,0|3,0,0]=4 322 B10R1.1 [13CH3]OCc1ccc(cc1)Br 34a_100000695286_200025704644 [1,0,0,0,0,0|3,0,0]=4 323 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 34a_100000211118_200025704644 [1,0,0,0,0,0|3,0,0]=4 324 B10R1.1 [13CH3]OCc1ccc(cc1)Cl 7a_100000211118_200025704644 [1,0,0,0,0,0|3,0,0]=4 325 B10R1.1 [13CH3]OCc1ccc(cc1)F 34a_100000210977_200025704644 [1,0,0,0,0,0|3,0,0]=4 326 B10R1.1 [13CH3]OCc1ccc(cc1)F 7a_100000210977_200025704644 [1,0,0,0,0,0|3,0,0]=4 327 B10R1.1 [13CH3]OCc1ccc(cc1)I 34a_100000690907_200025704644 [1,0,0,0,0,0|3,0,0]=4 328 B10R1.1 [13CH3]OCc1ccc(cc1)I 7a_100000690907_200025704644 [1,0,0,0,0,0|3,0,0]=4 329 B10R1.1 [13CH3]OCc1ccc(cc1)N 34a_100011215238_200025704644 [1,0,0,0,0,0|3,0,0]=4 330 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_100000189115_200025704644 [1,0,0,0,0,0|3,0,0]=4 331 B10R1.1 [13CH3]SCc1ccc(cc1)Br 62a_200025704644_100000189115 [1,0,0,0,0,0|3,0,0]=4 332 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_100000187161_200025704644 [1,0,0,0,0,0|3,0,0]=4 333 B10R1.1 [13CH3]SCc1ccc(cc1)Cl 62a_200025704644_100000187161 [1,0,0,0,0,0|3,0,0]=4 334 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_100000198546_200025704644 [1,0,0,0,0,0|3,0,0]=4 335 B10R1.1 [13CH3]SCc1ccc(cc1)F 62a_200025704644_100000187164 [1,0,0,0,0,0|3,0,0]=4 336 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_100000189116_200025704644 [1,0,0,0,0,0|3,0,0]=4 337 B10R1.1 [13CH3]SCc1ccc(cc1)I 62a_200025704644_100000189116 [1,0,0,0,0,0|3,0,0]=4 338 B10R1.13 C=C(C)c1cc[n+](cc1)[O-] 271570a_100000694244_100000039755 [1,0,0,0,0,0|2,0,1]=4 339 B10R1.13 C=C(C)c1ccc(=O)[nH]c1 271570a_100000694244_100000212171 [1,0,0,0,0,0|2,0,1]=4 340 B10R1.13 C=C(C)c1ccc(cc1)Br 271570a_100000694244_100000752885 [1,0,0,0,0,0|1,0,1]=3 341 B10R1.13 C=C(C)c1ccc(cc1)C 271570a_100000694244_100000186775 [1,0,0,0,0,0|0,0,1]=2 342 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [1,0,0,0,0,0|1,0,1]=3 343 B10R1.13 C=C(C)c1ccc(cc1)F 271570a_100000694244_100000211213 [1,0,0,0,0,0|1,0,1]=3 344 B10R1.13 C=C(C)c1ccc(cc1)N 271570a_100000694244_100000185761 [1,0,0,0,0,0|1,0,1]=3 345 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_100000694244_100000185759 [1,0,0,0,0,0|1,0,1]=3 346 B10R1.13 C=C(C)c1ccc(cc1)O 271570a_203496583355_100000185454 [1,0,0,0,0,0|1,0,1]=3 347 B10R1.13 C=C(C)c1ccc(cn1)Br 271570a_100000694244_100000686858 [1,0,0,0,0,0|2,0,1]=4 348 B10R1.13 C=C(C)c1ccc(cn1)C 271570a_100000694244_100000754016 [1,0,0,0,0,0|1,0,1]=3 349 B10R1.13 C=C(C)c1ccc(cn1)Cl 271570a_100000694244_100011356976 [1,0,0,0,0,0|2,0,1]=4 350 B10R1.13 C=C(C)c1ccc(cn1)F 271570a_100000694244_100000744514 [1,0,0,0,0,0|2,0,1]=4 351 B10R1.13 C=C(C)c1ccc(cn1)N 271570a_100000694244_100000744251 [1,0,0,0,0,0|2,0,1]=4 352 B10R1.13 C=C(C)c1ccc(cn1)O 271570a_100000694244_100000685995 [1,0,0,0,0,0|2,0,1]=4 353 B10R1.13 C=C(C)c1ccc(nc1)Br 271570a_100000694244_100009814638 [1,0,0,0,0,0|2,0,1]=4 354 B10R1.13 C=C(C)c1ccc(nc1)C 271570a_100000694244_100000751577 [1,0,0,0,0,0|1,0,1]=3 355 B10R1.13 C=C(C)c1ccc(nc1)Cl 271570a_100000694244_100000034144 [1,0,0,0,0,0|2,0,1]=4 356 B10R1.13 C=C(C)c1ccc(nc1)F 271570a_100000694244_100000748661 [1,0,0,0,0,0|2,0,1]=4 357 B10R1.13 C=C(C)c1ccc(nc1)N 271570a_100000694244_100000187370 [1,0,0,0,0,0|2,0,1]=4 358 B10R1.13 C=C(C)c1ccc(nn1)C 271570a_100000694244_100011450037 [1,0,0,0,0,0|2,0,1]=4 359 B10R1.13 C=C(C)c1cnc(cn1)C 271570a_100000694244_100011999403 [1,0,0,0,0,0|2,0,1]=4 360 B10R1.13 C=C(C)c1cnc(nc1)C 271570a_100000694244_100000686985 [1,0,0,0,0,0|2,0,1]=4 361 B10R1.13 C=C(C)c1ncc(cn1)C 271570a_100000694244_100011825175 [1,0,0,0,0,0|2,0,1]=4 362 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [1,0,0,0,0,0|1,0,1]=3 363 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [1,0,0,0,0,0|0,0,1]=2 364 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [1,0,0,0,0,0|1,0,1]=3 365 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [1,0,0,0,0,0|1,0,1]=3 366 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [1,0,0,0,0,0|1,0,1]=3 367 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [1,0,0,0,0,0|1,0,1]=3 368 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [1,0,0,0,0,0|1,0,1]=3 369 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [1,0,0,0,0,0|2,0,1]=4 370 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [1,0,0,0,0,0|2,0,1]=4 371 B10R1.13 CC(C)c1ccc(cc1)O 271570a_203496583355_100000750031 [1,0,0,0,0,0|1,0,1]=3 372 B10R1.13 CC(C)c1ccc(cn1)O 271570a_203496583355_100010255768 [1,0,0,0,0,0|2,0,1]=4 373 B10R1.13 CC(C)c1ccc(nc1)O 271570a_203496583355_200009815286 [1,0,0,0,0,0|2,0,1]=4 374 B10R1.13 CC(N)c1ccc(cn1)O 271570a_203496583355_100000723930 [1,0,0,0,0,0|3,0,0]=4 375 B10R1.13 CC(O)c1ccc(cc1)O 271570a_203496583355_100000745893 [1,0,0,0,0,0|1,0,1]=3 376 B10R1.13 CC(O)c1ccc(cn1)O 271570a_203496583355_100012353650 [1,0,0,0,0,0|2,0,1]=4 377 B10R1.13 CC(O)c1ccc(nc1)O 271570a_203496583355_200010274204 [1,0,0,0,0,0|2,0,1]=4 378 B10R1.13 CN(C)c1ccc(cc1)Br 2230a_100000219623_200000210301 [1,0,0,0,0,0|2,0,1]=4 379 B10R1.13 CN(C)c1ccc(cc1)Br 269982a_100000219623_200000210301 [1,0,0,0,0,0|2,0,1]=4 380 B10R1.13 CN(C)c1ccc(cc1)Br 34a_100000219623_200000210301 [1,0,0,0,0,0|2,0,1]=4 381 B10R1.13 CN(C)c1ccc(cc1)Cl 2230a_100020629279_200000210301 [1,0,0,0,0,0|2,0,1]=4 382 B10R1.13 CN(C)c1ccc(cc1)Cl 269982a_100020629279_200000210301 [1,0,0,0,0,0|2,0,1]=4 383 B10R1.13 CN(C)c1ccc(cc1)Cl 34a_100020629279_200000210301 [1,0,0,0,0,0|2,0,1]=4 384 B10R1.13 CN(C)c1ccc(cc1)F 2230a_100000219829_200000210301 [1,0,0,0,0,0|2,0,1]=4 385 B10R1.13 CN(C)c1ccc(cc1)F 269982a_100000219829_200000210301 [1,0,0,0,0,0|2,0,1]=4 386 B10R1.13 CN(C)c1ccc(cc1)F 34a_100000219829_200000210301 [1,0,0,0,0,0|2,0,1]=4 387 B10R1.13 CN(C)c1ccc(cc1)I 2230a_100000743151_200000210301 [1,0,0,0,0,0|2,0,1]=4 388 B10R1.13 CN(C)c1ccc(cc1)I 269982a_100000743151_200000210301 [1,0,0,0,0,0|2,0,1]=4 389 B10R1.13 CN(C)c1ccc(cc1)I 34a_100000743151_200000210301 [1,0,0,0,0,0|2,0,1]=4 390 B10R1.13 CN(C)c1ccc(cc1)O 269982a_100000182112_200000210301 [1,0,0,0,0,0|2,0,1]=4 391 B10R1.13 CN(C)c1ccc(cc1)O 271570a_203496583355_100000210421 [1,0,0,0,0,0|2,0,1]=4 392 B10R1.13 CN(C)c1ccc(cc1)O 34a_100000182112_200000210301 [1,0,0,0,0,0|2,0,1]=4 393 B10R1.13 CN([13CH3])c1ccc(cc1)Br 2230a_100000219623_200025704644 [1,0,0,0,0,0|2,0,1]=4 394 B10R1.13 CN([13CH3])c1ccc(cc1)Br 269982a_100000219623_200025704644 [1,0,0,0,0,0|2,0,1]=4 395 B10R1.13 CN([13CH3])c1ccc(cc1)Br 34a_100000219623_200025704644 [1,0,0,0,0,0|2,0,1]=4 396 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 2230a_100020629279_200025704644 [1,0,0,0,0,0|2,0,1]=4 397 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 269982a_100020629279_200025704644 [1,0,0,0,0,0|2,0,1]=4 398 B10R1.13 CN([13CH3])c1ccc(cc1)Cl 34a_100020629279_200025704644 [1,0,0,0,0,0|2,0,1]=4 399 B10R1.13 CN([13CH3])c1ccc(cc1)F 2230a_100000219829_200025704644 [1,0,0,0,0,0|2,0,1]=4 400 B10R1.13 CN([13CH3])c1ccc(cc1)F 269982a_100000219829_200025704644 [1,0,0,0,0,0|2,0,1]=4 401 B10R1.13 CN([13CH3])c1ccc(cc1)F 34a_100000219829_200025704644 [1,0,0,0,0,0|2,0,1]=4 402 B10R1.13 CN([13CH3])c1ccc(cc1)I 2230a_100000743151_200025704644 [1,0,0,0,0,0|2,0,1]=4 403 B10R1.13 CN([13CH3])c1ccc(cc1)I 269982a_100000743151_200025704644 [1,0,0,0,0,0|2,0,1]=4 404 B10R1.13 CN([13CH3])c1ccc(cc1)I 34a_100000743151_200025704644 [1,0,0,0,0,0|2,0,1]=4 405 B10R1.13 CN([13CH3])c1ccc(cc1)O 269982a_100000182112_200025704644 [1,0,0,0,0,0|2,0,1]=4 406 B10R1.13 CN([13CH3])c1ccc(cc1)O 34a_100000182112_200025704644 [1,0,0,0,0,0|2,0,1]=4 407 B10R1.13 CS(=O)c1ccc(cc1)O 271570a_203496583355_100009816266 [1,0,0,0,0,0|2,0,0]=3 408 B10R1.13 C[C@@H](N)c1ccc(cc1)O 271570a_203496583355_100000720352 [1,0,0,0,0,0|2,0,0]=3 409 B10R1.13 C[C@H](N)c1ccc(cc1)O 271570a_203496583355_100000753911 [1,0,0,0,0,0|2,0,0]=3 410 B10R1.13 C[C@H](N)c1ccc(nc1)O 271570a_203496583355_100015387476 [1,0,0,0,0,0|3,0,0]=4 411 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [1,0,0,0,0,0|0,0,1]=2 412 B10R1.13 Cc1ccc(cc1)N(C)C 2230a_100000219977_200000210301 [1,0,0,0,0,0|1,0,1]=3 413 B10R1.13 Cc1ccc(cc1)N(C)C 269982a_100000219977_200000210301 [1,0,0,0,0,0|1,0,1]=3 414 B10R1.13 Cc1ccc(cc1)N(C)C 34a_100000219977_200000210301 [1,0,0,0,0,0|1,0,1]=3 415 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 2230a_100000219977_200025704644 [1,0,0,0,0,0|1,0,1]=3 416 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 269982a_100000219977_200025704644 [1,0,0,0,0,0|1,0,1]=3 417 B10R1.13 Cc1ccc(cc1)N(C)[13CH3] 34a_100000219977_200025704644 [1,0,0,0,0,0|1,0,1]=3 418 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [1,0,0,0,0,0|2,0,1]=4 419 B10R1.13 Oc1ccc(cc1)C(F)F 271570a_203496583355_100010189923 [1,0,0,0,0,0|3,0,0]=4 420 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [1,0,0,0,0,0|1,0,1]=3 421 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [1,0,0,0,0,0|1,0,1]=3 422 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [1,0,0,0,0,0|1,0,1]=3 423 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [1,0,0,0,0,0|1,0,1]=3 424 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [1,0,0,0,0,0|1,0,1]=3 425 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [1,0,0,0,0,0|3,0,0]=4 426 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [1,0,0,0,0,0|3,0,0]=4 427 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [1,0,0,0,0,0|3,0,0]=4 428 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,0,0,0,0,0|2,0,0]=3 429 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,0,0,0,0,0|2,0,0]=3 430 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [1,0,0,0,0,0|2,0,1]=4 431 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [1,0,0,0,0,0|2,0,1]=4 432 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [1,0,0,0,0,0|2,0,1]=4 433 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [1,0,0,0,0,0|2,0,1]=4 434 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [1,0,0,0,0,0|2,0,1]=4 435 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [1,0,0,0,0,0|2,0,1]=4 436 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [1,0,0,0,0,0|2,0,1]=4 437 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [1,0,0,0,0,0|2,0,1]=4 438 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [1,0,0,0,0,0|2,0,1]=4 439 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [1,0,0,0,0,0|2,0,1]=4 440 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [1,0,0,0,0,0|2,0,1]=4 441 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,0,0,0,0,0|2,0,0]=3 442 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,0,0,0,0,0|2,0,0]=3 443 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,0,0,0,0,0|2,0,0]=3 444 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,0,0,0,0,0|2,0,0]=3 445 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [1,0,0,0,0,0|3,0,0]=4 446 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [1,0,0,0,0,0|3,0,0]=4 447 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [1,0,0,0,0,0|3,0,0]=4 448 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [1,0,0,0,0,0|3,0,0]=4 449 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [1,0,0,0,0,0|3,0,0]=4 450 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [1,0,0,0,0,0|3,0,0]=4 451 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,0,0,0,0,0|2,0,0]=3 452 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,0,0,0,0,0|2,0,0]=3 453 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,0,0,0,0,0|2,0,0]=3 454 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,0,0,0,0,0|2,0,0]=3 455 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,0,0,0,0,0|2,0,0]=3 456 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,0,0,0,0,0|2,0,0]=3 457 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,0,0,0,0,0|2,0,0]=3 458 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,0,0,0,0,0|2,0,0]=3 459 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,0,0,0,0,0|2,0,0]=3 460 B12R1.5 C=Cc1ccc(cc1)C(=O)C=O 271570a_100011290941_100000725942 [0,1,0,0,0,0|1,0,2]=4 461 B12R1.5 C=Cc1ccc(cc1)C(C)C#N 271570a_100011290941_100000695319 [0,1,0,0,0,0|1,0,2]=4 462 B12R1.5 C=Cc1ccc(cc1)C(C)CC 271570a_100011290941_100011221364 [0,1,0,0,0,0|1,0,2]=4 463 B12R1.5 C=Cc1ccc(cc1)C(C)NC 2230a_200012023546_200000210301 [0,1,0,0,0,0|2,0,1]=4 464 B12R1.5 C=Cc1ccc(cc1)C(C)NC 271570a_100011290941_100000231103 [0,1,0,0,0,0|2,0,1]=4 465 B12R1.5 C=Cc1ccc(cc1)C(C)NC 34a_200012023546_200000210301 [0,1,0,0,0,0|2,0,1]=4 466 B12R1.5 C=Cc1ccc(cc1)C(C)N[13CH3] 2230a_200012023546_200025704644 [0,1,0,0,0,0|2,0,1]=4 467 B12R1.5 C=Cc1ccc(cc1)C(C)N[13CH3] 34a_200012023546_200025704644 [0,1,0,0,0,0|2,0,1]=4 468 B12R1.5 C=Cc1ccc(cc1)C(C)OC 271570a_100011290941_100010254937 [0,1,0,0,0,0|2,0,1]=4 469 B12R1.5 CC(=NO)c1ccc(cc1)O[13CH3] 34a_100000164205_200025704644 [0,1,0,0,0,0|1,0,2]=4 470 B12R1.5 CC(C#N)c1ccc(cc1)N[13CH3] 34a_100000069498_200025704644 [0,1,0,0,0,0|1,0,1]=3 471 B12R1.5 CC(C#N)c1ccc(cc1)N[13CH3] 7a_100000069498_200025704644 [0,1,0,0,0,0|1,0,1]=3 472 B12R1.5 CC(C#N)c1ccc(cc1)S[13CH3] 62a_100000695319_200025704644 [0,1,0,0,0,0|1,0,1]=3 473 B12R1.5 CC(C#N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000695319 [0,1,0,0,0,0|1,0,1]=3 474 B12R1.5 CC(CN)c1ccc(cc1)O[13CH3] 34a_200015188644_200025704644 [0,1,0,0,0,0|1,0,1]=3 475 B12R1.5 CC(O[13CH3])c1ccc(cc1)CN 34a_200000048501_200025704644 [0,1,0,0,0,0|2,0,0]=3 476 B12R1.5 CCC(C)c1ccc(cc1)NC 2230a_100000211316_200000210301 [0,1,0,0,0,0|1,0,1]=3 477 B12R1.5 CCC(C)c1ccc(cc1)NC 34a_100000211316_200000210301 [0,1,0,0,0,0|1,0,1]=3 478 B12R1.5 CCC(C)c1ccc(cc1)NC 7a_100000211316_200000210301 [0,1,0,0,0,0|1,0,1]=3 479 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 2230a_100000211316_200025704644 [0,1,0,0,0,0|1,0,1]=3 480 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 34a_100000211316_200025704644 [0,1,0,0,0,0|1,0,1]=3 481 B12R1.5 CCC(C)c1ccc(cc1)N[13CH3] 7a_100000211316_200025704644 [0,1,0,0,0,0|1,0,1]=3 482 B12R1.5 CCC(C)c1ccc(cc1)OC 34a_100000211540_200000210301 [0,1,0,0,0,0|1,0,1]=3 483 B12R1.5 CCC(C)c1ccc(cc1)OC 7a_100000211540_200000210301 [0,1,0,0,0,0|1,0,1]=3 484 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 34a_100000211540_200025704644 [0,1,0,0,0,0|1,0,1]=3 485 B12R1.5 CCC(C)c1ccc(cc1)O[13CH3] 7a_100000211540_200025704644 [0,1,0,0,0,0|1,0,1]=3 486 B12R1.5 CCC(C)c1ccc(cc1)SC 62a_100011221364_200000210301 [0,1,0,0,0,0|1,0,1]=3 487 B12R1.5 CCC(C)c1ccc(cc1)SC 62a_200000210301_100011221364 [0,1,0,0,0,0|1,0,1]=3 488 B12R1.5 CCC(C)c1ccc(cc1)S[13CH3] 62a_100011221364_200025704644 [0,1,0,0,0,0|1,0,1]=3 489 B12R1.5 CCC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100011221364 [0,1,0,0,0,0|1,0,1]=3 490 B12R1.5 CCC(N)c1ccc(cc1)OC 34a_100015187210_200000210301 [0,1,0,0,0,0|2,0,1]=4 491 B12R1.5 CCC(N)c1ccc(cc1)O[13CH3] 34a_100015187210_200025704644 [0,1,0,0,0,0|2,0,1]=4 492 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_100000246506_200000210301 [0,1,0,0,0,0|2,0,1]=4 493 B12R1.5 CCC(O)c1ccc(cc1)SC 62a_200000210301_100000246506 [0,1,0,0,0,0|2,0,1]=4 494 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_100000246506_200025704644 [0,1,0,0,0,0|2,0,1]=4 495 B12R1.5 CCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000246506 [0,1,0,0,0,0|2,0,1]=4 496 B12R1.5 CCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210202 [0,1,0,0,0,0|2,0,1]=4 497 B12R1.5 CCN(C)c1ccc(cc1)OC 269982a_100000220023_100000204670 [0,1,0,0,0,0|2,0,1]=4 498 B12R1.5 CCN(C)c1ccc(cc1)OC 34a_100000220023_100000210202 [0,1,0,0,0,0|2,0,1]=4 499 B12R1.5 CC[C@H](N)c1ccc(cc1)SC 62a_100025736560_200000210301 [0,1,0,0,0,0|2,0,1]=4 500 B12R1.5 CC[C@H](N)c1ccc(cc1)SC 62a_200000210301_100025736560 [0,1,0,0,0,0|2,0,1]=4 501 B12R1.5 CC[C@H](N)c1ccc(cc1)S[13CH3] 62a_100025736560_200025704644 [0,1,0,0,0,0|2,0,1]=4 502 B12R1.5 CC[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100025736560 [0,1,0,0,0,0|2,0,1]=4 503 B12R1.5 CCc1ccc(cc1)C(C)NC 2230a_100015186439_200000210301 [0,1,0,0,0,0|2,0,0]=3 504 B12R1.5 CCc1ccc(cc1)C(C)NC 269862a_106832991636_100000211630 [0,1,0,0,0,0|2,0,0]=3 505 B12R1.5 CCc1ccc(cc1)C(C)NC 34a_100015186439_200000210301 [0,1,0,0,0,0|2,0,0]=3 506 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 2230a_100015186439_200025704644 [0,1,0,0,0,0|2,0,0]=3 507 B12R1.5 CCc1ccc(cc1)C(C)N[13CH3] 34a_100015186439_200025704644 [0,1,0,0,0,0|2,0,0]=3 508 B12R1.5 CCc1ccc(cc1)C(C)OC 34a_100011232672_200000210301 [0,1,0,0,0,0|2,0,0]=3 509 B12R1.5 CCc1ccc(cc1)C(C)OC 7a_100011232672_200000210301 [0,1,0,0,0,0|2,0,0]=3 510 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 34a_100011232672_200025704644 [0,1,0,0,0,0|2,0,0]=3 511 B12R1.5 CCc1ccc(cc1)C(C)O[13CH3] 7a_100011232672_200025704644 [0,1,0,0,0,0|2,0,0]=3 512 B12R1.5 CNC(C)c1ccc(cc1)C#N 269862a_106832991636_100000182420 [0,1,0,0,0,0|2,0,1]=4 513 B12R1.5 CNC(C)c1ccc(cc1)CO 269862a_106832991636_100000082505 [0,1,0,0,0,0|2,0,0]=3 514 B12R1.5 CNC(C)c1ccc(cc1)OC 269862a_106832991636_100000169859 [0,1,0,0,0,0|2,0,0]=3 515 B12R1.5 CNC(C)c1ccc(cc1)SC 2230a_100000738722_200000210301 [0,1,0,0,0,0|2,0,0]=3 516 B12R1.5 CNC(C)c1ccc(cc1)SC 269862a_106832991636_100000185071 [0,1,0,0,0,0|2,0,0]=3 517 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_100000231103_200000210301 [0,1,0,0,0,0|2,0,0]=3 518 B12R1.5 CNC(C)c1ccc(cc1)SC 62a_200000210301_100000231103 [0,1,0,0,0,0|2,0,0]=3 519 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_100000231103_200025704644 [0,1,0,0,0,0|2,0,0]=3 520 B12R1.5 CNC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000231103 [0,1,0,0,0,0|2,0,0]=3 521 B12R1.5 CNC(C)c1ccc(nc1)OC 269862a_106832991636_100011934396 [0,1,0,0,0,0|3,0,0]=4 522 B12R1.5 CN[C@H](C)c1ccc(cc1)C#N 2230a_100016991473_200000210301 [0,1,0,0,0,0|2,0,1]=4 523 B12R1.5 CN[C@H](C)c1ccc(cc1)C#N 34a_100016991473_200000210301 [0,1,0,0,0,0|2,0,1]=4 524 B12R1.5 CN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_200000210301 [0,1,0,0,0,0|2,0,0]=3 525 B12R1.5 CNc1ccc(cc1)C(C)C#N 34a_100000069498_200000210301 [0,1,0,0,0,0|1,0,1]=3 526 B12R1.5 CNc1ccc(cc1)C(C)C#N 7a_100000069498_200000210301 [0,1,0,0,0,0|1,0,1]=3 527 B12R1.5 CNc1ccc(cc1)C(C)NC 269862a_106832991636_100011806243 [0,1,0,0,0,0|2,0,0]=3 528 B12R1.5 COC(C)c1ccc(cc1)CN 34a_200000048501_200000210301 [0,1,0,0,0,0|2,0,0]=3 529 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 34a_200010658654_200025704644 [0,1,0,0,0,0|2,0,0]=3 530 B12R1.5 COC(C)c1ccc(cc1)O[13CH3] 7a_200010658654_200025704644 [0,1,0,0,0,0|2,0,0]=3 531 B12R1.5 COC(C)c1ccc(cc1)SC 62a_100010254937_200000210301 [0,1,0,0,0,0|2,0,0]=3 532 B12R1.5 COC(C)c1ccc(cc1)SC 62a_200000210301_100010254937 [0,1,0,0,0,0|2,0,0]=3 533 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_100010254937_200025704644 [0,1,0,0,0,0|2,0,0]=3 534 B12R1.5 COC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100010254937 [0,1,0,0,0,0|2,0,0]=3 535 B12R1.5 CO[C@@H](C)c1ccc(cc1)C#N 34a_100011852132_200000210301 [0,1,0,0,0,0|2,0,1]=4 536 B12R1.5 CO[C@@H](C)c1ccc(cc1)C#N 7a_100011852132_200000210301 [0,1,0,0,0,0|2,0,1]=4 537 B12R1.5 COc1ccc(cc1)C(=NO)C 34a_100000164205_200000210301 [0,1,0,0,0,0|1,0,2]=4 538 B12R1.5 COc1ccc(cc1)C(C)CN 34a_200015188644_200000210301 [0,1,0,0,0,0|1,0,1]=3 539 B12R1.5 COc1ccc(cc1)C(C)OC 34a_100000742907_200000210301 [0,1,0,0,0,0|2,0,0]=3 540 B12R1.5 COc1ccc(cc1)C(C)OC 34a_200010658654_200000210301 [0,1,0,0,0,0|2,0,0]=3 541 B12R1.5 COc1ccc(cc1)C(C)OC 7a_100000742907_200000210301 [0,1,0,0,0,0|2,0,0]=3 542 B12R1.5 COc1ccc(cc1)C(C)OC 7a_200010658654_200000210301 [0,1,0,0,0,0|2,0,0]=3 543 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 34a_100000742907_200025704644 [0,1,0,0,0,0|2,0,0]=3 544 B12R1.5 COc1ccc(cc1)C(C)O[13CH3] 7a_100000742907_200025704644 [0,1,0,0,0,0|2,0,0]=3 545 B12R1.5 COc1ccc(cc1)C(O)CN 34a_100000067596_200000210301 [0,1,0,0,0,0|2,0,1]=4 546 B12R1.5 COc1ccc(cc1)N(C)CF 269982a_100000220023_100015361967 [0,1,0,0,0,0|2,0,1]=4 547 B12R1.5 COc1ccc(cc1)N(C)CF 34a_100000220023_100015361967 [0,1,0,0,0,0|2,0,1]=4 548 B12R1.5 COc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100011830352_200025704644 [0,1,0,0,0,0|2,0,0]=3 549 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_100000725942_200000210301 [0,1,0,0,0,0|1,0,1]=3 550 B12R1.5 CSc1ccc(cc1)C(=O)C=O 62a_200000210301_100000725942 [0,1,0,0,0,0|1,0,1]=3 551 B12R1.5 CSc1ccc(cc1)C(C)C#N 62a_100000695319_200000210301 [0,1,0,0,0,0|1,0,1]=3 552 B12R1.5 CSc1ccc(cc1)C(C)C#N 62a_200000210301_100000695319 [0,1,0,0,0,0|1,0,1]=3 553 B12R1.5 CSc1ccc(cc1)C(C)N[13CH3] 2230a_100000738722_200025704644 [0,1,0,0,0,0|2,0,0]=3 554 B12R1.5 CSc1ccc(cc1)C(N)C#N 62a_106722365845_200000210301 [0,1,0,0,0,0|2,0,1]=4 555 B12R1.5 CSc1ccc(cc1)C(N)C#N 62a_200000210301_106722365845 [0,1,0,0,0,0|2,0,1]=4 556 B12R1.5 CSc1ccc(cc1)C(N)CO 62a_100000734186_200000210301 [0,1,0,0,0,0|1,0,2]=4 557 B12R1.5 CSc1ccc(cc1)C(N)CO 62a_200000210301_100000734186 [0,1,0,0,0,0|1,0,2]=4 558 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_100020626992_200000210301 [0,1,0,0,0,0|2,0,1]=4 559 B12R1.5 CSc1ccc(cc1)C(O)CN 62a_200000210301_100020626992 [0,1,0,0,0,0|2,0,1]=4 560 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200000210301_200012355997 [0,1,0,0,0,0|1,0,2]=4 561 B12R1.5 CSc1ccc(cc1)C(O)CO 62a_200012355997_200000210301 [0,1,0,0,0,0|1,0,2]=4 562 B12R1.5 C[C@@H](N[13CH3])c1ccc(cc1)C#N 2230a_100016991473_200025704644 [0,1,0,0,0,0|2,0,1]=4 563 B12R1.5 C[C@@H](N[13CH3])c1ccc(cc1)C#N 34a_100016991473_200025704644 [0,1,0,0,0,0|2,0,1]=4 564 B12R1.5 C[C@H](O[13CH3])c1ccc(cc1)C#N 34a_100011852132_200025704644 [0,1,0,0,0,0|2,0,1]=4 565 B12R1.5 C[C@H](O[13CH3])c1ccc(cc1)C#N 7a_100011852132_200025704644 [0,1,0,0,0,0|2,0,1]=4 566 B12R1.5 [13CH3]Oc1ccc(cc1)C(O)CN 34a_100000067596_200025704644 [0,1,0,0,0,0|2,0,1]=4 567 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_100000725942_200025704644 [0,1,0,0,0,0|1,0,1]=3 568 B12R1.5 [13CH3]Sc1ccc(cc1)C(=O)C=O 62a_200025704644_100000725942 [0,1,0,0,0,0|1,0,1]=3 569 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)C#N 62a_106722365845_200025704644 [0,1,0,0,0,0|2,0,1]=4 570 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)C#N 62a_200025704644_106722365845 [0,1,0,0,0,0|2,0,1]=4 571 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)CO 62a_100000734186_200025704644 [0,1,0,0,0,0|1,0,2]=4 572 B12R1.5 [13CH3]Sc1ccc(cc1)C(N)CO 62a_200025704644_100000734186 [0,1,0,0,0,0|1,0,2]=4 573 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_100020626992_200025704644 [0,1,0,0,0,0|2,0,1]=4 574 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CN 62a_200025704644_100020626992 [0,1,0,0,0,0|2,0,1]=4 575 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200012355997_200025704644 [0,1,0,0,0,0|1,0,2]=4 576 B12R1.5 [13CH3]Sc1ccc(cc1)C(O)CO 62a_200025704644_200012355997 [0,1,0,0,0,0|1,0,2]=4 577 B12R1.9 CC(C)(C#N)c1ccc(cc1)O 271570a_203496583355_100000740055 [0,1,0,0,0,0|2,0,1]=4 578 B12R1.9 CC(C)(C=O)c1ccc(cc1)O 271570a_203496583355_100010228009 [0,1,0,0,0,0|1,0,0]=2 579 B12R1.9 CC(C)(N[13CH3])c1ccc(cc1)Br 2230a_100000739617_200025704644 [0,1,0,0,0,0|3,0,0]=4 580 B12R1.9 CC(C)(N[13CH3])c1ccc(cc1)Cl 2230a_100000750703_200025704644 [0,1,0,0,0,0|3,0,0]=4 581 B12R1.9 CC(C)(N[13CH3])c1ccc(cc1)F 2230a_100015193028_200025704644 [0,1,0,0,0,0|3,0,0]=4 582 B12R1.9 CC(C)(N[13CH3])c1ccc(cc1)F 34a_100015193028_200025704644 [0,1,0,0,0,0|3,0,0]=4 583 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)Br 34a_100000753367_200025704644 [0,1,0,0,0,0|3,0,0]=4 584 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)Br 7a_100000753367_200025704644 [0,1,0,0,0,0|3,0,0]=4 585 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)Cl 34a_100000750429_200025704644 [0,1,0,0,0,0|3,0,0]=4 586 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)Cl 7a_100000750429_200025704644 [0,1,0,0,0,0|3,0,0]=4 587 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)F 34a_100011219992_200025704644 [0,1,0,0,0,0|3,0,0]=4 588 B12R1.9 CC(C)(O[13CH3])c1ccc(cc1)F 7a_100011219992_200025704644 [0,1,0,0,0,0|3,0,0]=4 589 B12R1.9 CNC(C)(C)c1ccc(cc1)Br 2230a_100000739617_200000210301 [0,1,0,0,0,0|3,0,0]=4 590 B12R1.9 CNC(C)(C)c1ccc(cc1)C 2230a_200011345931_200000210301 [0,1,0,0,0,0|2,0,0]=3 591 B12R1.9 CNC(C)(C)c1ccc(cc1)C 34a_200011345931_200000210301 [0,1,0,0,0,0|2,0,0]=3 592 B12R1.9 CNC(C)(C)c1ccc(cc1)Cl 2230a_100000750703_200000210301 [0,1,0,0,0,0|3,0,0]=4 593 B12R1.9 CNC(C)(C)c1ccc(cc1)F 2230a_100015193028_200000210301 [0,1,0,0,0,0|3,0,0]=4 594 B12R1.9 CNC(C)(C)c1ccc(cc1)F 34a_100015193028_200000210301 [0,1,0,0,0,0|3,0,0]=4 595 B12R1.9 COC(C)(C)c1ccc(cc1)Br 34a_100000753367_200000210301 [0,1,0,0,0,0|3,0,0]=4 596 B12R1.9 COC(C)(C)c1ccc(cc1)Br 7a_100000753367_200000210301 [0,1,0,0,0,0|3,0,0]=4 597 B12R1.9 COC(C)(C)c1ccc(cc1)C 34a_200011345916_200000210301 [0,1,0,0,0,0|2,0,0]=3 598 B12R1.9 COC(C)(C)c1ccc(cc1)C 7a_200011345916_200000210301 [0,1,0,0,0,0|2,0,0]=3 599 B12R1.9 COC(C)(C)c1ccc(cc1)Cl 34a_100000750429_200000210301 [0,1,0,0,0,0|3,0,0]=4 600 B12R1.9 COC(C)(C)c1ccc(cc1)Cl 7a_100000750429_200000210301 [0,1,0,0,0,0|3,0,0]=4 601 B12R1.9 COC(C)(C)c1ccc(cc1)F 34a_100011219992_200000210301 [0,1,0,0,0,0|3,0,0]=4 602 B12R1.9 COC(C)(C)c1ccc(cc1)F 7a_100011219992_200000210301 [0,1,0,0,0,0|3,0,0]=4 603 B12R1.9 Cc1ccc(cc1)C(C)(C)N[13CH3] 2230a_200011345931_200025704644 [0,1,0,0,0,0|2,0,0]=3 604 B12R1.9 Cc1ccc(cc1)C(C)(C)N[13CH3] 34a_200011345931_200025704644 [0,1,0,0,0,0|2,0,0]=3 605 B12R1.9 Cc1ccc(cc1)C(C)(C)O[13CH3] 34a_200011345916_200025704644 [0,1,0,0,0,0|2,0,0]=3 606 B12R1.9 Cc1ccc(cc1)C(C)(C)O[13CH3] 7a_200011345916_200025704644 [0,1,0,0,0,0|2,0,0]=3 607 B12R1.12 C#CC(OC)c1ccc(cc1)Cl 34a_100011470666_200000210301 [0,1,0,0,0,0|2,0,1]=4 608 B12R1.12 C#CC(OC)c1ccc(cc1)Cl 7a_100011470666_200000210301 [0,1,0,0,0,0|2,0,1]=4 609 B12R1.12 C#CC(O[13CH3])c1ccc(cc1)Cl 34a_100011470666_200025704644 [0,1,0,0,0,0|2,0,1]=4 610 B12R1.12 C#CC(O[13CH3])c1ccc(cc1)Cl 7a_100011470666_200025704644 [0,1,0,0,0,0|2,0,1]=4 611 B12R1.12 CCC(NC)c1ccc(cc1)Br 269862a_106832991636_100000211647 [0,1,0,0,0,0|2,0,1]=4 612 B12R1.12 CCC(NC)c1ccc(cc1)C 2230a_100000749201_200000210301 [0,1,0,0,0,0|1,0,1]=3 613 B12R1.12 CCC(NC)c1ccc(cc1)C 269862a_106832991636_100000185863 [0,1,0,0,0,0|1,0,1]=3 614 B12R1.12 CCC(NC)c1ccc(cc1)C 34a_100000749201_200000210301 [0,1,0,0,0,0|1,0,1]=3 615 B12R1.12 CCC(NC)c1ccc(cc1)Cl 269862a_106832991636_100000210983 [0,1,0,0,0,0|2,0,1]=4 616 B12R1.12 CCC(NC)c1ccc(cc1)F 2230a_100011191751_200000210301 [0,1,0,0,0,0|2,0,1]=4 617 B12R1.12 CCC(NC)c1ccc(cc1)F 269862a_106832991636_100000211089 [0,1,0,0,0,0|2,0,1]=4 618 B12R1.12 CCC(NC)c1ccc(cc1)F 34a_100011191751_200000210301 [0,1,0,0,0,0|2,0,1]=4 619 B12R1.12 CCC(NC)c1ccc(cc1)I 269862a_106832991636_100000763097 [0,1,0,0,0,0|2,0,1]=4 620 B12R1.12 CCC(NC)c1ccc(cc1)O 271570a_203496583355_100000231127 [0,1,0,0,0,0|2,0,1]=4 621 B12R1.12 CCC(NC)c1ccc(cc1)O 34a_100015187210_200000210301 [0,1,0,0,0,0|2,0,1]=4 622 B12R1.12 CCC(NC)c1ccc(cn1)C 2230a_100015185231_200000210301 [0,1,0,0,0,0|2,0,1]=4 623 B12R1.12 CCC(N[13CH3])c1ccc(cc1)C 2230a_100000749201_200025704644 [0,1,0,0,0,0|1,0,1]=3 624 B12R1.12 CCC(N[13CH3])c1ccc(cc1)C 34a_100000749201_200025704644 [0,1,0,0,0,0|1,0,1]=3 625 B12R1.12 CCC(N[13CH3])c1ccc(cc1)F 2230a_100011191751_200025704644 [0,1,0,0,0,0|2,0,1]=4 626 B12R1.12 CCC(N[13CH3])c1ccc(cc1)F 34a_100011191751_200025704644 [0,1,0,0,0,0|2,0,1]=4 627 B12R1.12 CCC(N[13CH3])c1ccc(cc1)O 34a_100015187210_200025704644 [0,1,0,0,0,0|2,0,1]=4 628 B12R1.12 CCC(N[13CH3])c1ccc(cn1)C 2230a_100015185231_200025704644 [0,1,0,0,0,0|2,0,1]=4 629 B12R1.12 CCC(OC)c1ccc(cc1)Br 34a_100000246506_200000210301 [0,1,0,0,0,0|2,0,1]=4 630 B12R1.12 CCC(OC)c1ccc(cc1)Br 7a_100000246506_200000210301 [0,1,0,0,0,0|2,0,1]=4 631 B12R1.12 CCC(OC)c1ccc(cc1)C 34a_100000246521_200000210301 [0,1,0,0,0,0|1,0,1]=3 632 B12R1.12 CCC(OC)c1ccc(cc1)C 7a_100000246521_200000210301 [0,1,0,0,0,0|1,0,1]=3 633 B12R1.12 CCC(OC)c1ccc(cc1)Cl 34a_100000246471_200000210301 [0,1,0,0,0,0|2,0,1]=4 634 B12R1.12 CCC(OC)c1ccc(cc1)Cl 7a_100000246471_200000210301 [0,1,0,0,0,0|2,0,1]=4 635 B12R1.12 CCC(OC)c1ccc(cc1)F 34a_100000246474_200000210301 [0,1,0,0,0,0|2,0,1]=4 636 B12R1.12 CCC(OC)c1ccc(cc1)F 7a_100000246474_200000210301 [0,1,0,0,0,0|2,0,1]=4 637 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Br 34a_100000246506_200025704644 [0,1,0,0,0,0|2,0,1]=4 638 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Br 7a_100000246506_200025704644 [0,1,0,0,0,0|2,0,1]=4 639 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 34a_100000246521_200025704644 [0,1,0,0,0,0|1,0,1]=3 640 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 7a_100000246521_200025704644 [0,1,0,0,0,0|1,0,1]=3 641 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Cl 34a_100000246471_200025704644 [0,1,0,0,0,0|2,0,1]=4 642 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Cl 7a_100000246471_200025704644 [0,1,0,0,0,0|2,0,1]=4 643 B12R1.12 CCC(O[13CH3])c1ccc(cc1)F 34a_100000246474_200025704644 [0,1,0,0,0,0|2,0,1]=4 644 B12R1.12 CCC(O[13CH3])c1ccc(cc1)F 7a_100000246474_200025704644 [0,1,0,0,0,0|2,0,1]=4 645 B12R1.12 CCN(CC)c1ccc(cc1)C 2230a_100000219985_100000210202 [0,1,0,0,0,0|2,0,1]=4 646 B12R1.12 CCN(CC)c1ccc(cc1)C 269982a_100000219985_100000204670 [0,1,0,0,0,0|2,0,1]=4 647 B12R1.12 CCN(CC)c1ccc(cc1)C 34a_100000219985_100000210202 [0,1,0,0,0,0|2,0,1]=4 648 B12R1.12 CCN(CF)c1ccc(cc1)C 269982a_100000219985_100015361967 [0,1,0,0,0,0|2,0,1]=4 649 B12R1.12 CCN(CF)c1ccc(cc1)C 34a_100000219985_100015361967 [0,1,0,0,0,0|2,0,1]=4 650 B12R1.12 CC[C@H](NC)c1ccc(cc1)Br 2230a_100025736560_200000210301 [0,1,0,0,0,0|2,0,1]=4 651 B12R1.12 CC[C@H](NC)c1ccc(cc1)Br 34a_100025736560_200000210301 [0,1,0,0,0,0|2,0,1]=4 652 B12R1.12 CC[C@H](NC)c1ccc(cc1)Cl 2230a_100015186824_200000210301 [0,1,0,0,0,0|2,0,1]=4 653 B12R1.12 CC[C@H](NC)c1ccc(cc1)Cl 34a_100015186824_200000210301 [0,1,0,0,0,0|2,0,1]=4 654 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Br 2230a_100025736560_200025704644 [0,1,0,0,0,0|2,0,1]=4 655 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Br 34a_100025736560_200025704644 [0,1,0,0,0,0|2,0,1]=4 656 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015186824_200025704644 [0,1,0,0,0,0|2,0,1]=4 657 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Cl 34a_100015186824_200025704644 [0,1,0,0,0,0|2,0,1]=4 658 B12R1.12 CNC(C#N)c1ccc(cc1)Cl 2230a_100000747793_200000210301 [0,1,0,0,0,0|2,0,1]=4 659 B12R1.12 CNC(C#N)c1ccc(cc1)F 2230a_100020612109_200000210301 [0,1,0,0,0,0|2,0,1]=4 660 B12R1.12 CNC(C#N)c1ccc(cc1)F 34a_100020612109_200000210301 [0,1,0,0,0,0|2,0,1]=4 661 B12R1.12 CNC(CO)c1ccc(cc1)Br 2230a_100000734186_200000210301 [0,1,0,0,0,0|1,0,2]=4 662 B12R1.12 CNC(CO)c1ccc(cc1)Br 34a_100000734186_200000210301 [0,1,0,0,0,0|1,0,2]=4 663 B12R1.12 CNC(CO)c1ccc(cc1)F 2230a_100000705410_200000210301 [0,1,0,0,0,0|1,0,2]=4 664 B12R1.12 CNC(CO)c1ccc(cc1)F 34a_100000705410_200000210301 [0,1,0,0,0,0|1,0,2]=4 665 B12R1.12 CN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_200000210301 [0,1,0,0,0,0|0,0,2]=3 666 B12R1.12 CN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_200000210301 [0,1,0,0,0,0|0,0,2]=3 667 B12R1.12 CN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_200000210301 [0,1,0,0,0,0|1,0,2]=4 668 B12R1.12 CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_200000210301 [0,1,0,0,0,0|1,0,2]=4 669 B12R1.12 COC(CCl)c1ccc(cc1)Cl 34a_200011996143_200000210301 [0,1,0,0,0,0|2,0,1]=4 670 B12R1.12 COC(CCl)c1ccc(cc1)Cl 7a_200011996143_200000210301 [0,1,0,0,0,0|2,0,1]=4 671 B12R1.12 COC(CN)c1ccc(cc1)Br 34a_100020626992_200000210301 [0,1,0,0,0,0|2,0,1]=4 672 B12R1.12 COC(CN)c1ccc(cc1)Cl 34a_100000736658_200000210301 [0,1,0,0,0,0|2,0,1]=4 673 B12R1.12 COC(OC)c1ccc(cc1)O 271570a_203496583355_100009813454 [0,1,0,0,0,0|3,0,0]=4 674 B12R1.12 CO[C@@H](C#N)c1ccc(cc1)C 34a_200009814964_200000210301 [0,1,0,0,0,0|1,0,1]=3 675 B12R1.12 CO[C@@H](C#N)c1ccc(cc1)C 7a_200009814964_200000210301 [0,1,0,0,0,0|1,0,1]=3 676 B12R1.12 CO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_200000210301 [0,1,0,0,0,0|2,0,1]=4 677 B12R1.12 CO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_200000210301 [0,1,0,0,0,0|2,0,1]=4 678 B12R1.12 Cc1ccc(cc1)[C@H](C#N)O[13CH3] 34a_200009814964_200025704644 [0,1,0,0,0,0|1,0,1]=3 679 B12R1.12 Cc1ccc(cc1)[C@H](C#N)O[13CH3] 7a_200009814964_200025704644 [0,1,0,0,0,0|1,0,1]=3 680 B12R1.12 Cc1ccc(cc1)[C@H](CO)N[13CH3] 2230a_100009818840_200025704644 [0,1,0,0,0,0|0,0,2]=3 681 B12R1.12 Cc1ccc(cc1)[C@H](CO)N[13CH3] 34a_100009818840_200025704644 [0,1,0,0,0,0|0,0,2]=3 682 B12R1.12 [13CH3]NC(C#N)c1ccc(cc1)Cl 2230a_100000747793_200025704644 [0,1,0,0,0,0|2,0,1]=4 683 B12R1.12 [13CH3]NC(C#N)c1ccc(cc1)F 2230a_100020612109_200025704644 [0,1,0,0,0,0|2,0,1]=4 684 B12R1.12 [13CH3]NC(C#N)c1ccc(cc1)F 34a_100020612109_200025704644 [0,1,0,0,0,0|2,0,1]=4 685 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)Br 2230a_100000734186_200025704644 [0,1,0,0,0,0|1,0,2]=4 686 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)Br 34a_100000734186_200025704644 [0,1,0,0,0,0|1,0,2]=4 687 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)F 2230a_100000705410_200025704644 [0,1,0,0,0,0|1,0,2]=4 688 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)F 34a_100000705410_200025704644 [0,1,0,0,0,0|1,0,2]=4 689 B12R1.12 [13CH3]N[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_200025704644 [0,1,0,0,0,0|1,0,2]=4 690 B12R1.12 [13CH3]N[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_200025704644 [0,1,0,0,0,0|1,0,2]=4 691 B12R1.12 [13CH3]OC(CCl)c1ccc(cc1)Cl 34a_200011996143_200025704644 [0,1,0,0,0,0|2,0,1]=4 692 B12R1.12 [13CH3]OC(CCl)c1ccc(cc1)Cl 7a_200011996143_200025704644 [0,1,0,0,0,0|2,0,1]=4 693 B12R1.12 [13CH3]OC(CN)c1ccc(cc1)Br 34a_100020626992_200025704644 [0,1,0,0,0,0|2,0,1]=4 694 B12R1.12 [13CH3]OC(CN)c1ccc(cc1)Cl 34a_100000736658_200025704644 [0,1,0,0,0,0|2,0,1]=4 695 B12R1.12 [13CH3]O[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_200025704644 [0,1,0,0,0,0|2,0,1]=4 696 B12R1.12 [13CH3]O[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_200025704644 [0,1,0,0,0,0|2,0,1]=4 697 B12R1.16 C#CCN(C)c1ccc(cc1)C 2230a_100000219977_100000038162 [0,1,0,0,0,0|2,0,1]=4 698 B12R1.16 C#CCN(C)c1ccc(cc1)C 34a_100000219977_100000184674 [0,1,0,0,0,0|2,0,1]=4 699 B12R1.16 C=CCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210623 [0,1,0,0,0,0|2,0,1]=4 700 B12R1.16 C=CCC(O)c1ccc(cc1)O 271570a_203496583355_100011466436 [0,1,0,0,0,0|3,0,0]=4 701 B12R1.16 C=CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210623 [0,1,0,0,0,0|3,0,0]=4 702 B12R1.16 C=CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000210623 [0,1,0,0,0,0|3,0,0]=4 703 B12R1.16 C=CCN(C)c1ccc(cc1)Br 34a_100000219623_100015514636 [0,1,0,0,0,0|3,0,0]=4 704 B12R1.16 C=CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210623 [0,1,0,0,0,0|2,0,0]=3 705 B12R1.16 C=CCN(C)c1ccc(cc1)C 269982a_100000219977_100000210623 [0,1,0,0,0,0|2,0,0]=3 706 B12R1.16 C=CCN(C)c1ccc(cc1)C 34a_100000219977_100015514636 [0,1,0,0,0,0|2,0,0]=3 707 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210623 [0,1,0,0,0,0|3,0,0]=4 708 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000210623 [0,1,0,0,0,0|3,0,0]=4 709 B12R1.16 C=CCN(C)c1ccc(cc1)Cl 34a_100020629279_100015514636 [0,1,0,0,0,0|3,0,0]=4 710 B12R1.16 C=CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210623 [0,1,0,0,0,0|3,0,0]=4 711 B12R1.16 C=CCN(C)c1ccc(cc1)F 269982a_100000219829_100000210623 [0,1,0,0,0,0|3,0,0]=4 712 B12R1.16 C=CCN(C)c1ccc(cc1)F 34a_100000219829_100015514636 [0,1,0,0,0,0|3,0,0]=4 713 B12R1.16 C=CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210623 [0,1,0,0,0,0|3,0,0]=4 714 B12R1.16 C=CCN(C)c1ccc(cc1)I 269982a_100000743151_100000210623 [0,1,0,0,0,0|3,0,0]=4 715 B12R1.16 C=CCN(C)c1ccc(cc1)I 34a_100000743151_100015514636 [0,1,0,0,0,0|3,0,0]=4 716 B12R1.16 C=CCN(C)c1ccc(cc1)O 269982a_100000182112_100000210623 [0,1,0,0,0,0|3,0,0]=4 717 B12R1.16 C=CCN(C)c1ccc(cc1)O 34a_100000182112_100015514636 [0,1,0,0,0,0|3,0,0]=4 718 B12R1.16 CC(CN[13CH3])c1ccc(cc1)O 34a_200015188644_200025704644 [0,1,0,0,0,0|2,0,1]=4 719 B12R1.16 CC(OCF)c1ccc(cc1)Br 34a_100000745893_100015361967 [0,1,0,0,0,0|2,0,1]=4 720 B12R1.16 CC(OCF)c1ccc(cc1)Br 7a_100000745893_100015361967 [0,1,0,0,0,0|2,0,1]=4 721 B12R1.16 CC(OCF)c1ccc(cc1)F 34a_100000181323_100015361967 [0,1,0,0,0,0|2,0,1]=4 722 B12R1.16 CC(OCF)c1ccc(cc1)F 7a_100000181323_100015361967 [0,1,0,0,0,0|2,0,1]=4 723 B12R1.16 CC(OCF)c1ccc(cc1)N 34a_100011216399_100015361967 [0,1,0,0,0,0|2,0,1]=4 724 B12R1.16 CC(SCF)c1ccc(cc1)Br 62a_100000755118_100015361967 [0,1,0,0,0,0|2,0,1]=4 725 B12R1.16 CC(SCF)c1ccc(cc1)Br 62a_100015361967_100000755118 [0,1,0,0,0,0|2,0,1]=4 726 B12R1.16 CC(SCF)c1ccc(cc1)Cl 62a_100000684792_100015361967 [0,1,0,0,0,0|2,0,1]=4 727 B12R1.16 CC(SCF)c1ccc(cc1)Cl 62a_100015361967_100000684792 [0,1,0,0,0,0|2,0,1]=4 728 B12R1.16 CC(SCF)c1ccc(cc1)F 62a_100000743420_100015361967 [0,1,0,0,0,0|2,0,1]=4 729 B12R1.16 CC(SCF)c1ccc(cc1)F 62a_100015361967_100000743420 [0,1,0,0,0,0|2,0,1]=4 730 B12R1.16 CCCN(C)c1ccc(cc1)C 2230a_100000219977_100000210303 [0,1,0,0,0,0|2,0,1]=4 731 B12R1.16 CCCN(C)c1ccc(cc1)C 269982a_100000219977_100000210303 [0,1,0,0,0,0|2,0,1]=4 732 B12R1.16 CCCN(C)c1ccc(cc1)C 34a_100000219977_100000210303 [0,1,0,0,0,0|2,0,1]=4 733 B12R1.16 CCNC(C)c1ccc(cc1)Br 2230a_100015525214_100000755118 [0,1,0,0,0,0|2,0,1]=4 734 B12R1.16 CCNC(C)c1ccc(cc1)Br 269862a_100015525214_100000185794 [0,1,0,0,0,0|2,0,1]=4 735 B12R1.16 CCNC(C)c1ccc(cc1)C 2230a_100015525214_100011261388 [0,1,0,0,0,0|1,0,1]=3 736 B12R1.16 CCNC(C)c1ccc(cc1)C 269862a_100015525214_100000185793 [0,1,0,0,0,0|1,0,1]=3 737 B12R1.16 CCNC(C)c1ccc(cc1)Cl 2230a_100015525214_100000684792 [0,1,0,0,0,0|2,0,1]=4 738 B12R1.16 CCNC(C)c1ccc(cc1)Cl 269862a_100015525214_100000185797 [0,1,0,0,0,0|2,0,1]=4 739 B12R1.16 CCNC(C)c1ccc(cc1)F 2230a_100015525214_100000743420 [0,1,0,0,0,0|2,0,1]=4 740 B12R1.16 CCNC(C)c1ccc(cc1)F 269862a_100015525214_100000185800 [0,1,0,0,0,0|2,0,1]=4 741 B12R1.16 CCNC(C)c1ccc(cc1)I 269862a_100015525214_100000185465 [0,1,0,0,0,0|2,0,1]=4 742 B12R1.16 CCNC(C)c1ccc(cn1)C 269862a_100015525214_100000084104 [0,1,0,0,0,0|2,0,1]=4 743 B12R1.16 CCNC(C)c1ccc(cn1)C 270004a_100015525214_100000084104 [0,1,0,0,0,0|2,0,1]=4 744 B12R1.16 CCNC(C)c1ccc(nc1)C 2230a_100011815741_100000210202 [0,1,0,0,0,0|2,0,1]=4 745 B12R1.16 CCNC(C)c1ccc(nc1)C 269862a_100015525214_100011280547 [0,1,0,0,0,0|2,0,1]=4 746 B12R1.16 CCNC(C)c1ccc(nc1)C 34a_100011815741_100000210202 [0,1,0,0,0,0|2,0,1]=4 747 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210202 [0,1,0,0,0,0|2,0,1]=4 748 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210202 [0,1,0,0,0,0|2,0,1]=4 749 B12R1.16 CCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210202 [0,1,0,0,0,0|2,0,1]=4 750 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210202 [0,1,0,0,0,0|2,0,1]=4 751 B12R1.16 CCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210202 [0,1,0,0,0,0|2,0,1]=4 752 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210202 [0,1,0,0,0,0|1,0,1]=3 753 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210202 [0,1,0,0,0,0|1,0,1]=3 754 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210202 [0,1,0,0,0,0|2,0,1]=4 755 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210202 [0,1,0,0,0,0|2,0,1]=4 756 B12R1.16 CCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210202 [0,1,0,0,0,0|2,0,1]=4 757 B12R1.16 CCOC(C)c1ccc(cc1)Br 34a_100121572206_100000755118 [0,1,0,0,0,0|2,0,1]=4 758 B12R1.16 CCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210202 [0,1,0,0,0,0|2,0,1]=4 759 B12R1.16 CCOC(C)c1ccc(cc1)C 34a_100121572206_100011261388 [0,1,0,0,0,0|1,0,1]=3 760 B12R1.16 CCOC(C)c1ccc(cc1)F 34a_100000181323_100000210202 [0,1,0,0,0,0|2,0,1]=4 761 B12R1.16 CCOC(C)c1ccc(cc1)F 34a_100121572206_100000743420 [0,1,0,0,0,0|2,0,1]=4 762 B12R1.16 CCOC(C)c1ccc(cc1)F 7a_100000181323_100000210202 [0,1,0,0,0,0|2,0,1]=4 763 B12R1.16 CCOC(C)c1ccc(cc1)N 34a_100011216399_100000210202 [0,1,0,0,0,0|2,0,1]=4 764 B12R1.16 CCOC(C)c1ccc(nc1)C 34a_200011815720_100000210202 [0,1,0,0,0,0|2,0,1]=4 765 B12R1.16 CCOC(C)c1ccc(nc1)C 7a_200011815720_100000210202 [0,1,0,0,0,0|2,0,1]=4 766 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210202 [0,1,0,0,0,0|2,0,1]=4 767 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210202 [0,1,0,0,0,0|2,0,1]=4 768 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210202 [0,1,0,0,0,0|1,0,1]=3 769 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210202 [0,1,0,0,0,0|1,0,1]=3 770 B12R1.16 CCSC(C)c1ccc(cc1)Br 62a_100000210202_100000755118 [0,1,0,0,0,0|2,0,1]=4 771 B12R1.16 CCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210202 [0,1,0,0,0,0|2,0,1]=4 772 B12R1.16 CCSC(C)c1ccc(cc1)C 62a_100000210202_100011261388 [0,1,0,0,0,0|1,0,1]=3 773 B12R1.16 CCSC(C)c1ccc(cc1)C 62a_100011261388_100000210202 [0,1,0,0,0,0|1,0,1]=3 774 B12R1.16 CCSC(C)c1ccc(cc1)Cl 62a_100000210202_100000684792 [0,1,0,0,0,0|2,0,1]=4 775 B12R1.16 CCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210202 [0,1,0,0,0,0|2,0,1]=4 776 B12R1.16 CCSC(C)c1ccc(cc1)F 62a_100000210202_100000743420 [0,1,0,0,0,0|2,0,1]=4 777 B12R1.16 CCSC(C)c1ccc(cc1)F 62a_100000743420_100000210202 [0,1,0,0,0,0|2,0,1]=4 778 B12R1.16 CN(CC=O)c1ccc(cc1)Br 2230a_100000219623_200015260668 [0,1,0,0,0,0|2,0,0]=3 779 B12R1.16 CN(CC=O)c1ccc(cc1)Br 269982a_100000219623_200015260668 [0,1,0,0,0,0|2,0,0]=3 780 B12R1.16 CN(CC=O)c1ccc(cc1)Br 34a_100000219623_200009817547 [0,1,0,0,0,0|2,0,0]=3 781 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 2230a_100020629279_200015260668 [0,1,0,0,0,0|2,0,0]=3 782 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 269982a_100020629279_200015260668 [0,1,0,0,0,0|2,0,0]=3 783 B12R1.16 CN(CC=O)c1ccc(cc1)Cl 34a_100020629279_200009817547 [0,1,0,0,0,0|2,0,0]=3 784 B12R1.16 CN(CC=O)c1ccc(cc1)F 2230a_100000219829_200015260668 [0,1,0,0,0,0|2,0,0]=3 785 B12R1.16 CN(CC=O)c1ccc(cc1)F 269982a_100000219829_200015260668 [0,1,0,0,0,0|2,0,0]=3 786 B12R1.16 CN(CC=O)c1ccc(cc1)F 34a_100000219829_200009817547 [0,1,0,0,0,0|2,0,0]=3 787 B12R1.16 CN(CC=O)c1ccc(cc1)I 2230a_100000743151_200015260668 [0,1,0,0,0,0|2,0,0]=3 788 B12R1.16 CN(CC=O)c1ccc(cc1)I 269982a_100000743151_200015260668 [0,1,0,0,0,0|2,0,0]=3 789 B12R1.16 CN(CC=O)c1ccc(cc1)I 34a_100000743151_200009817547 [0,1,0,0,0,0|2,0,0]=3 790 B12R1.16 CN(CC=O)c1ccc(cc1)O 269982a_100000182112_200015260668 [0,1,0,0,0,0|2,0,0]=3 791 B12R1.16 CN(CC=O)c1ccc(cc1)O 34a_100000182112_200009817547 [0,1,0,0,0,0|2,0,0]=3 792 B12R1.16 CNCC(C)c1ccc(cc1)O 34a_200015188644_200000210301 [0,1,0,0,0,0|2,0,1]=4 793 B12R1.16 CNCC(O)c1ccc(cc1)C 2230a_200020610344_200000210301 [0,1,0,0,0,0|2,0,1]=4 794 B12R1.16 CNCC(O)c1ccc(cc1)C 34a_200020610344_200000210301 [0,1,0,0,0,0|2,0,1]=4 795 B12R1.16 COCN(C)c1ccc(cc1)C 2230a_100000219977_100000766300 [0,1,0,0,0,0|1,0,2]=4 796 B12R1.16 COCN(C)c1ccc(cc1)C 269982a_100000219977_100000766300 [0,1,0,0,0,0|1,0,2]=4 797 B12R1.16 COC[C@H](N)c1ccc(cc1)C 34a_100009818840_200000210301 [0,1,0,0,0,0|1,0,2]=4 798 B12R1.16 CSCN(C)c1ccc(cc1)C 2230a_100000219977_100011218213 [0,1,0,0,0,0|1,1,1]=4 799 B12R1.16 CSCN(C)c1ccc(cc1)C 269982a_100000219977_100011218213 [0,1,0,0,0,0|1,1,1]=4 800 B12R1.16 CSCN(C)c1ccc(cc1)C 34a_100000219977_100011218213 [0,1,0,0,0,0|1,1,1]=4 801 B12R1.16 C[C@@H](NCF)c1ccc(cc1)Cl 34a_100015205461_100015361967 [0,1,0,0,0,0|2,0,1]=4 802 B12R1.16 C[C@H](NCF)c1ccc(cc1)F 34a_100025705893_100015361967 [0,1,0,0,0,0|2,0,1]=4 803 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 34a_100011852131_100015361967 [0,1,0,0,0,0|2,0,1]=4 804 B12R1.16 C[C@H](OCF)c1ccc(cc1)Cl 7a_100011852131_100015361967 [0,1,0,0,0,0|2,0,1]=4 805 B12R1.16 Cc1ccc(cc1)C(C)SCF 62a_100011261388_100015361967 [0,1,0,0,0,0|1,0,1]=3 806 B12R1.16 Cc1ccc(cc1)C(C)SCF 62a_100015361967_100011261388 [0,1,0,0,0,0|1,0,1]=3 807 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 2230a_200020610344_200025704644 [0,1,0,0,0,0|2,0,1]=4 808 B12R1.16 Cc1ccc(cc1)C(O)CN[13CH3] 34a_200020610344_200025704644 [0,1,0,0,0,0|2,0,1]=4 809 B12R1.16 Cc1ccc(cc1)N(C)CC#N 2230a_100000219977_100011215382 [0,1,0,0,0,0|2,0,1]=4 810 B12R1.16 Cc1ccc(cc1)N(C)CC#N 269982a_100000219977_100011214920 [0,1,0,0,0,0|2,0,1]=4 811 B12R1.16 Cc1ccc(cc1)N(C)CC=O 2230a_100000219977_200015260668 [0,1,0,0,0,0|1,0,0]=2 812 B12R1.16 Cc1ccc(cc1)N(C)CC=O 269982a_100000219977_200015260668 [0,1,0,0,0,0|1,0,0]=2 813 B12R1.16 Cc1ccc(cc1)N(C)CC=O 34a_100000219977_200009817547 [0,1,0,0,0,0|1,0,0]=2 814 B12R1.16 Cc1ccc(cc1)N(C)CCF 2230a_100000219977_100011217306 [0,1,0,0,0,0|2,0,1]=4 815 B12R1.16 Cc1ccc(cc1)N(C)CCF 269982a_100000219977_100011217306 [0,1,0,0,0,0|2,0,1]=4 816 B12R1.16 Cc1ccc(cc1)N(C)CCF 34a_100000219977_100011217306 [0,1,0,0,0,0|2,0,1]=4 817 B12R1.16 Cc1ccc(cc1)N(C)CCO 2230a_100000219977_100000211926 [0,1,0,0,0,0|1,0,2]=4 818 B12R1.16 Cc1ccc(cc1)N(C)CCO 269982a_100000219977_100000211926 [0,1,0,0,0,0|1,0,2]=4 819 B12R1.16 Cc1ccc(cc1)N(C)CCO 34a_100000219977_100000211926 [0,1,0,0,0,0|1,0,2]=4 820 B12R1.16 Cc1ccc(cc1)[C@@H](C)NCF 34a_100016988085_100015361967 [0,1,0,0,0,0|1,0,1]=3 821 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 34a_100000690690_100015361967 [0,1,0,0,0,0|1,0,1]=3 822 B12R1.16 Cc1ccc(cc1)[C@@H](C)OCF 7a_100000690690_100015361967 [0,1,0,0,0,0|1,0,1]=3 823 B12R1.16 Cc1ccc(cc1)[C@@H](N)CO[13CH3] 34a_100009818840_200025704644 [0,1,0,0,0,0|1,0,2]=4 824 B12R1.16 Cc1ccc(cn1)C(C)NCF 34a_100011815741_100015361967 [0,1,0,0,0,0|2,0,1]=4 825 B12R1.16 Cc1ccc(cn1)C(C)OCF 34a_200011815720_100015361967 [0,1,0,0,0,0|2,0,1]=4 826 B12R1.16 Cc1ccc(cn1)C(C)OCF 7a_200011815720_100015361967 [0,1,0,0,0,0|2,0,1]=4 827 B12R1.20 CC(=C(C)c1ccc(cc1)Br)C 271570a_200000049429_100000752885 [0,1,0,0,0,0|2,0,1]=4 828 B12R1.20 CC(=C(C)c1ccc(cc1)C)C 271570a_200000049429_100000186775 [0,1,0,0,0,0|1,0,1]=3 829 B12R1.20 CC(=C(C)c1ccc(cc1)Cl)C 271570a_200000049429_100000755918 [0,1,0,0,0,0|2,0,1]=4 830 B12R1.20 CC(=C(C)c1ccc(cc1)F)C 271570a_200000049429_100000211213 [0,1,0,0,0,0|2,0,1]=4 831 B12R1.20 CC(=C(C)c1ccc(cc1)N)C 271570a_200000049429_100000185761 [0,1,0,0,0,0|2,0,1]=4 832 B12R1.20 CC(=C(C)c1ccc(cc1)O)C 271570a_200000049429_100000185759 [0,1,0,0,0,0|2,0,1]=4 833 B12R1.20 CC(=C(C)c1ccc(cn1)C)C 271570a_200000049429_100000754016 [0,1,0,0,0,0|2,0,1]=4 834 B12R1.20 CC(=C(C)c1ccc(nc1)C)C 271570a_200000049429_100000751577 [0,1,0,0,0,0|2,0,1]=4 835 B12R1.20 CC(=O)C(C)c1ccc(cc1)Br 1458a_100000070787_100000755118 [0,1,0,0,0,0|1,0,0]=2 836 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000070787_100011261388 [0,1,0,0,0,0|0,0,0]=1 837 B12R1.20 CC(=O)C(C)c1ccc(cc1)C 1458a_100000751627_200000210301 [0,1,0,0,0,0|0,0,0]=1 838 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100000070787_100000684792 [0,1,0,0,0,0|1,0,0]=2 839 B12R1.20 CC(=O)C(C)c1ccc(cc1)Cl 1458a_100011216001_200000210301 [0,1,0,0,0,0|1,0,0]=2 840 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100000070787_100000743420 [0,1,0,0,0,0|1,0,0]=2 841 B12R1.20 CC(=O)C(C)c1ccc(cc1)F 1458a_100011435297_200000210301 [0,1,0,0,0,0|1,0,0]=2 842 B12R1.20 CC(=O)C(C)c1ccc(cc1)O 1458a_100000031422_200000210301 [0,1,0,0,0,0|1,0,0]=2 843 B12R1.20 CC(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200000210301 [0,1,0,0,0,0|2,0,0]=3 844 B12R1.20 CC(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200000210301 [0,1,0,0,0,0|2,0,0]=3 845 B12R1.20 CC(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200000210301 [0,1,0,0,0,0|2,0,0]=3 846 B12R1.20 CC(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200000210301 [0,1,0,0,0,0|2,0,0]=3 847 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 11a_100000219623_100015343762 [0,1,0,0,0,0|2,0,0]=3 848 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 1626a_100000219623_100015343762 [0,1,0,0,0,0|2,0,0]=3 849 B12R1.20 CC(=O)N(C)c1ccc(cc1)Br 22a_100000219623_100000070787 [0,1,0,0,0,0|2,0,0]=3 850 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 11a_100000219977_100015343762 [0,1,0,0,0,0|1,0,0]=2 851 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 1626a_100000219977_100015343762 [0,1,0,0,0,0|1,0,0]=2 852 B12R1.20 CC(=O)N(C)c1ccc(cc1)C 22a_100000219977_100000070787 [0,1,0,0,0,0|1,0,0]=2 853 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 11a_100020629279_100015343762 [0,1,0,0,0,0|2,0,0]=3 854 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 1626a_100020629279_100015343762 [0,1,0,0,0,0|2,0,0]=3 855 B12R1.20 CC(=O)N(C)c1ccc(cc1)Cl 22a_100020629279_100000070787 [0,1,0,0,0,0|2,0,0]=3 856 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 11a_100000219829_100015343762 [0,1,0,0,0,0|2,0,0]=3 857 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 1626a_100000219829_100015343762 [0,1,0,0,0,0|2,0,0]=3 858 B12R1.20 CC(=O)N(C)c1ccc(cc1)F 22a_100000219829_100000070787 [0,1,0,0,0,0|2,0,0]=3 859 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 11a_100000743151_100015343762 [0,1,0,0,0,0|2,0,0]=3 860 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 1626a_100000743151_100015343762 [0,1,0,0,0,0|2,0,0]=3 861 B12R1.20 CC(=O)N(C)c1ccc(cc1)I 22a_100000743151_100000070787 [0,1,0,0,0,0|2,0,0]=3 862 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 22a_100000182112_100000070787 [0,1,0,0,0,0|2,0,0]=3 863 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 271570a_203496583355_200009816415 [0,1,0,0,0,0|2,0,0]=3 864 B12R1.20 CC(=O)N(C)c1ccc(cc1)O 527a_100000182112_100103153847 [0,1,0,0,0,0|2,0,0]=3 865 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)C 1458a_100009815954_200000210301 [0,1,0,0,0,0|1,0,0]=2 866 B12R1.20 CC(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200000210301 [0,1,0,0,0,0|2,0,0]=3 867 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100011216001_200025704644 [0,1,0,0,0,0|1,0,0]=2 868 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)F 1458a_100011435297_200025704644 [0,1,0,0,0,0|1,0,0]=2 869 B12R1.20 CC(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000031422_200025704644 [0,1,0,0,0,0|1,0,0]=2 870 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 2230a_100000231103_200000210301 [0,1,0,0,0,0|3,0,0]=4 871 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 2230a_100102631434_100000755118 [0,1,0,0,0,0|3,0,0]=4 872 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 269982a_100000231103_200000210301 [0,1,0,0,0,0|3,0,0]=4 873 B12R1.20 CC(c1ccc(cc1)Br)N(C)C 269982a_100102631434_100000755118 [0,1,0,0,0,0|3,0,0]=4 874 B12R1.20 CC(c1ccc(cc1)Br)N(C)[13CH3] 2230a_100000231103_200025704644 [0,1,0,0,0,0|3,0,0]=4 875 B12R1.20 CC(c1ccc(cc1)Br)N(C)[13CH3] 269982a_100000231103_200025704644 [0,1,0,0,0,0|3,0,0]=4 876 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 2230a_100000231102_200000210301 [0,1,0,0,0,0|3,0,0]=4 877 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 2230a_100102631434_100000684792 [0,1,0,0,0,0|3,0,0]=4 878 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 269982a_100000231102_200000210301 [0,1,0,0,0,0|3,0,0]=4 879 B12R1.20 CC(c1ccc(cc1)Cl)N(C)C 269982a_100102631434_100000684792 [0,1,0,0,0,0|3,0,0]=4 880 B12R1.20 CC(c1ccc(cc1)Cl)N(C)[13CH3] 2230a_100000231102_200025704644 [0,1,0,0,0,0|3,0,0]=4 881 B12R1.20 CC(c1ccc(cc1)Cl)N(C)[13CH3] 269982a_100000231102_200025704644 [0,1,0,0,0,0|3,0,0]=4 882 B12R1.20 CC(c1ccc(cc1)F)N(C)C 2230a_100000222788_200000210301 [0,1,0,0,0,0|3,0,0]=4 883 B12R1.20 CC(c1ccc(cc1)F)N(C)C 2230a_100102631434_100000743420 [0,1,0,0,0,0|3,0,0]=4 884 B12R1.20 CC(c1ccc(cc1)F)N(C)C 269982a_100000222788_200000210301 [0,1,0,0,0,0|3,0,0]=4 885 B12R1.20 CC(c1ccc(cc1)F)N(C)C 269982a_100102631434_100000743420 [0,1,0,0,0,0|3,0,0]=4 886 B12R1.20 CC(c1ccc(cc1)F)N(C)C 34a_100000222788_200000210301 [0,1,0,0,0,0|3,0,0]=4 887 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 2230a_100000222788_200025704644 [0,1,0,0,0,0|3,0,0]=4 888 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 269982a_100000222788_200025704644 [0,1,0,0,0,0|3,0,0]=4 889 B12R1.20 CC(c1ccc(cc1)F)N(C)[13CH3] 34a_100000222788_200025704644 [0,1,0,0,0,0|3,0,0]=4 890 B12R1.20 Cc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000751627_200025704644 [0,1,0,0,0,0|0,0,0]=1 891 B12R1.20 Cc1ccc(cc1)C(C)N(C)C 2230a_100102631434_100011261388 [0,1,0,0,0,0|2,0,0]=3 892 B12R1.20 Cc1ccc(cc1)C(C)N(C)C 269982a_100102631434_100011261388 [0,1,0,0,0,0|2,0,0]=3 893 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 2230a_100000219977_100000210206 [0,1,0,0,0,0|2,0,1]=4 894 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 2230a_100000748792_200000210301 [0,1,0,0,0,0|2,0,1]=4 895 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 269982a_100000219977_100000210206 [0,1,0,0,0,0|2,0,1]=4 896 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 269982a_100000748792_200000210301 [0,1,0,0,0,0|2,0,1]=4 897 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 34a_100000219977_100000210206 [0,1,0,0,0,0|2,0,1]=4 898 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 34a_100000748792_200000210301 [0,1,0,0,0,0|2,0,1]=4 899 B12R1.20 Cc1ccc(cc1)N(C)C(C)C 7a_100000748792_200000210301 [0,1,0,0,0,0|2,0,1]=4 900 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 2230a_100000748792_200025704644 [0,1,0,0,0,0|2,0,1]=4 901 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 269982a_100000748792_200025704644 [0,1,0,0,0,0|2,0,1]=4 902 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 34a_100000748792_200025704644 [0,1,0,0,0,0|2,0,1]=4 903 B12R1.20 Cc1ccc(cc1)N([13CH3])C(C)C 7a_100000748792_200025704644 [0,1,0,0,0,0|2,0,1]=4 904 B12R1.20 Cc1ccc(cc1)[C@@H](O)C(=O)[13CH3] 1458a_100009815954_200025704644 [0,1,0,0,0,0|1,0,0]=2 905 B12R1.20 Cc1ccc(nc1)C(C)N(C)C 270004a_100102631434_100000084104 [0,1,0,0,0,0|3,0,0]=4 906 B12R1.20 NC(=O)C(=O)c1ccc(cc1)O 271570a_203496583355_200009822167 [0,1,0,0,0,0|2,0,1]=4 907 B12R1.20 [13CH3]C(=O)C(F)c1ccc(cc1)Cl 1458a_100012277543_200025704644 [0,1,0,0,0,0|2,0,0]=3 908 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)Br 1458a_100000756554_200025704644 [0,1,0,0,0,0|2,0,0]=3 909 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)F 1458a_100000209909_200025704644 [0,1,0,0,0,0|2,0,0]=3 910 B12R1.20 [13CH3]C(=O)C(O)c1ccc(cc1)O 1458a_100011215213_200025704644 [0,1,0,0,0,0|2,0,0]=3 911 B12R1.20 [13CH3]C(=O)[C@H](O)c1ccc(cc1)Cl 1458a_100009817493_200025704644 [0,1,0,0,0,0|2,0,0]=3 912 B12R1.367 CC(N[13CH3])c1ccc(c(c1)Cl)Cl 2230a_100000743459_200025704644 [0,1,0,0,0,0|3,0,0]=4 913 B12R1.367 CC(N[13CH3])c1ccc(c(c1)Cl)Cl 34a_100000743459_200025704644 [0,1,0,0,0,0|3,0,0]=4 914 B12R1.367 CC(N[13CH3])c1ccc(c(c1)F)F 2230a_100000756309_200025704644 [0,1,0,0,0,0|3,0,0]=4 915 B12R1.367 CC(N[13CH3])c1ccc(c(c1)F)F 34a_100000756309_200025704644 [0,1,0,0,0,0|3,0,0]=4 916 B12R1.367 CC(O[13CH3])c1ccc(c(c1)Br)F 34a_100011191524_200025704644 [0,1,0,0,0,0|3,0,0]=4 917 B12R1.367 CC(O[13CH3])c1ccc(c(c1)Br)F 7a_100011191524_200025704644 [0,1,0,0,0,0|3,0,0]=4 918 B12R1.367 CC(O[13CH3])c1ccc(c(c1)Cl)Cl 34a_100000742046_200025704644 [0,1,0,0,0,0|3,0,0]=4 919 B12R1.367 CC(O[13CH3])c1ccc(c(c1)Cl)Cl 7a_100000742046_200025704644 [0,1,0,0,0,0|3,0,0]=4 920 B12R1.367 CC(O[13CH3])c1ccc(c(c1)F)Cl 34a_100011944057_200025704644 [0,1,0,0,0,0|3,0,0]=4 921 B12R1.367 CC(O[13CH3])c1ccc(c(c1)F)Cl 7a_100011944057_200025704644 [0,1,0,0,0,0|3,0,0]=4 922 B12R1.367 CC(O[13CH3])c1ccc(c(c1)F)F 34a_100000246517_200025704644 [0,1,0,0,0,0|3,0,0]=4 923 B12R1.367 CC(O[13CH3])c1ccc(c(c1)F)F 7a_100000246517_200025704644 [0,1,0,0,0,0|3,0,0]=4 924 B12R1.367 CCN(C)c1ccc(c(c1)Br)C 2230a_100000707694_100000210202 [0,1,0,0,0,0|2,0,1]=4 925 B12R1.367 CCN(C)c1ccc(c(c1)Br)C 269982a_100000707694_100000204670 [0,1,0,0,0,0|2,0,1]=4 926 B12R1.367 CCN(C)c1ccc(c(c1)Br)C 34a_100000707694_100000210202 [0,1,0,0,0,0|2,0,1]=4 927 B12R1.367 CCN(C)c1ccc(c(c1)Br)C 38a_100000707694_100000204670 [0,1,0,0,0,0|2,0,1]=4 928 B12R1.367 CCN(C)c1ccc(c(c1)C)C 2230a_106256033975_200000210301 [0,1,0,0,0,0|2,0,1]=4 929 B12R1.367 CCN(C)c1ccc(c(c1)C)C 269982a_106256033975_200000210301 [0,1,0,0,0,0|2,0,1]=4 930 B12R1.367 CCN(C)c1ccc(c(c1)C)C 34a_106256033975_200000210301 [0,1,0,0,0,0|2,0,1]=4 931 B12R1.367 CCN(C)c1ccc(c(c1)C)C 7a_106256033975_200000210301 [0,1,0,0,0,0|2,0,1]=4 932 B12R1.367 CCN(C)c1ccc(c(c1)Cl)C 2230a_100000220120_100000210202 [0,1,0,0,0,0|2,0,1]=4 933 B12R1.367 CCN(C)c1ccc(c(c1)Cl)C 269982a_100000220120_100000204670 [0,1,0,0,0,0|2,0,1]=4 934 B12R1.367 CCN(C)c1ccc(c(c1)Cl)C 34a_100000220120_100000210202 [0,1,0,0,0,0|2,0,1]=4 935 B12R1.367 CCN(C)c1ccc(c(c1)Cl)C 38a_100000220120_100000204670 [0,1,0,0,0,0|2,0,1]=4 936 B12R1.367 CCN(C)c1ccc(c(c1)F)C 2230a_100015205639_200000210301 [0,1,0,0,0,0|2,0,1]=4 937 B12R1.367 CCN(C)c1ccc(c(c1)F)C 2230a_100160572069_100000210202 [0,1,0,0,0,0|2,0,1]=4 938 B12R1.367 CCN(C)c1ccc(c(c1)F)C 269982a_100015205639_200000210301 [0,1,0,0,0,0|2,0,1]=4 939 B12R1.367 CCN(C)c1ccc(c(c1)F)C 269982a_100160572069_100000204670 [0,1,0,0,0,0|2,0,1]=4 940 B12R1.367 CCN(C)c1ccc(c(c1)F)C 34a_100015205639_200000210301 [0,1,0,0,0,0|2,0,1]=4 941 B12R1.367 CCN(C)c1ccc(c(c1)F)C 34a_100160572069_100000210202 [0,1,0,0,0,0|2,0,1]=4 942 B12R1.367 CCN(C)c1ccc(c(c1)F)C 38a_100160572069_100000204670 [0,1,0,0,0,0|2,0,1]=4 943 B12R1.367 CCN(C)c1ccc(c(c1)F)C 7a_100015205639_200000210301 [0,1,0,0,0,0|2,0,1]=4 944 B12R1.367 CCN(C)c1ccc(c(c1)F)C 7a_100160572069_100000210202 [0,1,0,0,0,0|2,0,1]=4 945 B12R1.367 CCN([13CH3])c1ccc(c(c1)C)C 2230a_106256033975_200025704644 [0,1,0,0,0,0|2,0,1]=4 946 B12R1.367 CCN([13CH3])c1ccc(c(c1)C)C 269982a_106256033975_200025704644 [0,1,0,0,0,0|2,0,1]=4 947 B12R1.367 CCN([13CH3])c1ccc(c(c1)C)C 34a_106256033975_200025704644 [0,1,0,0,0,0|2,0,1]=4 948 B12R1.367 CCN([13CH3])c1ccc(c(c1)C)C 7a_106256033975_200025704644 [0,1,0,0,0,0|2,0,1]=4 949 B12R1.367 CCN([13CH3])c1ccc(c(c1)F)C 2230a_100015205639_200025704644 [0,1,0,0,0,0|2,0,1]=4 950 B12R1.367 CCN([13CH3])c1ccc(c(c1)F)C 269982a_100015205639_200025704644 [0,1,0,0,0,0|2,0,1]=4 951 B12R1.367 CCN([13CH3])c1ccc(c(c1)F)C 34a_100015205639_200025704644 [0,1,0,0,0,0|2,0,1]=4 952 B12R1.367 CCN([13CH3])c1ccc(c(c1)F)C 7a_100015205639_200025704644 [0,1,0,0,0,0|2,0,1]=4 953 B12R1.367 CNC(C)c1ccc(c(c1)Br)Br 269862a_106832991636_100009814466 [0,1,0,0,0,0|3,0,0]=4 954 B12R1.367 CNC(C)c1ccc(c(c1)Br)C 269862a_106832991636_100011934287 [0,1,0,0,0,0|2,0,0]=3 955 B12R1.367 CNC(C)c1ccc(c(c1)Br)Cl 269862a_106832991636_100012356427 [0,1,0,0,0,0|3,0,0]=4 956 B12R1.367 CNC(C)c1ccc(c(c1)Br)F 269862a_106832991636_100000239719 [0,1,0,0,0,0|3,0,0]=4 957 B12R1.367 CNC(C)c1ccc(c(c1)Br)I 269862a_106832991636_100010146554 [0,1,0,0,0,0|3,0,0]=4 958 B12R1.367 CNC(C)c1ccc(c(c1)Br)O 269862a_106832991636_100011772453 [0,1,0,0,0,0|3,0,0]=4 959 B12R1.367 CNC(C)c1ccc(c(c1)C)Br 269862a_106832991636_100000697869 [0,1,0,0,0,0|3,0,0]=4 960 B12R1.367 CNC(C)c1ccc(c(c1)C)C 269862a_106832991636_100000210971 [0,1,0,0,0,0|2,0,0]=3 961 B12R1.367 CNC(C)c1ccc(c(c1)C)Cl 269862a_106832991636_100011216000 [0,1,0,0,0,0|3,0,0]=4 962 B12R1.367 CNC(C)c1ccc(c(c1)C)F 2230a_100000705826_200000210301 [0,1,0,0,0,0|3,0,0]=4 963 B12R1.367 CNC(C)c1ccc(c(c1)C)F 269862a_106832991636_100000754758 [0,1,0,0,0,0|3,0,0]=4 964 B12R1.367 CNC(C)c1ccc(c(c1)C)F 34a_100000705826_200000210301 [0,1,0,0,0,0|3,0,0]=4 965 B12R1.367 CNC(C)c1ccc(c(c1)C)O 269862a_106832991636_100000188726 [0,1,0,0,0,0|3,0,0]=4 966 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Br 269862a_106832991636_100012353846 [0,1,0,0,0,0|3,0,0]=4 967 B12R1.367 CNC(C)c1ccc(c(c1)Cl)C 2230a_100012005020_200000210301 [0,1,0,0,0,0|2,0,0]=3 968 B12R1.367 CNC(C)c1ccc(c(c1)Cl)C 269862a_106832991636_100012002458 [0,1,0,0,0,0|2,0,0]=3 969 B12R1.367 CNC(C)c1ccc(c(c1)Cl)C 34a_100012005020_200000210301 [0,1,0,0,0,0|2,0,0]=3 970 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Cl 2230a_100000743459_200000210301 [0,1,0,0,0,0|3,0,0]=4 971 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Cl 269862a_106832991636_100000210641 [0,1,0,0,0,0|3,0,0]=4 972 B12R1.367 CNC(C)c1ccc(c(c1)Cl)Cl 34a_100000743459_200000210301 [0,1,0,0,0,0|3,0,0]=4 973 B12R1.367 CNC(C)c1ccc(c(c1)Cl)F 269862a_106832991636_100000737303 [0,1,0,0,0,0|3,0,0]=4 974 B12R1.367 CNC(C)c1ccc(c(c1)Cl)O 269862a_106832991636_100000188625 [0,1,0,0,0,0|3,0,0]=4 975 B12R1.367 CNC(C)c1ccc(c(c1)F)Br 269862a_106832991636_100000690002 [0,1,0,0,0,0|3,0,0]=4 976 B12R1.367 CNC(C)c1ccc(c(c1)F)C 269862a_106832991636_100000767010 [0,1,0,0,0,0|2,0,0]=3 977 B12R1.367 CNC(C)c1ccc(c(c1)F)Cl 269862a_106832991636_100000693814 [0,1,0,0,0,0|3,0,0]=4 978 B12R1.367 CNC(C)c1ccc(c(c1)F)F 2230a_100000756309_200000210301 [0,1,0,0,0,0|3,0,0]=4 979 B12R1.367 CNC(C)c1ccc(c(c1)F)F 269862a_106832991636_100000184692 [0,1,0,0,0,0|3,0,0]=4 980 B12R1.367 CNC(C)c1ccc(c(c1)F)F 34a_100000756309_200000210301 [0,1,0,0,0,0|3,0,0]=4 981 B12R1.367 CNC(C)c1ccc(c(c1)F)O 269862a_106832991636_100000751691 [0,1,0,0,0,0|3,0,0]=4 982 B12R1.367 CNC(C)c1ccc(c(c1)I)Br 269862a_106832991636_100010146556 [0,1,0,0,0,0|3,0,0]=4 983 B12R1.367 CNC(C)c1ccc(c(c1)O)C 269862a_106832991636_100000084092 [0,1,0,0,0,0|2,0,0]=3 984 B12R1.367 CNC(C)c1ccc(c(c1)O)F 269862a_106832991636_100000117923 [0,1,0,0,0,0|3,0,0]=4 985 B12R1.367 CN[C@@H](C)c1ccc(c(c1)Br)F 2230a_100000753309_200000210301 [0,1,0,0,0,0|3,0,0]=4 986 B12R1.367 CN[C@@H](C)c1ccc(c(c1)Br)F 34a_100000753309_200000210301 [0,1,0,0,0,0|3,0,0]=4 987 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)Br 2230a_100134618348_200000210301 [0,1,0,0,0,0|3,0,0]=4 988 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)Br 34a_100134618348_200000210301 [0,1,0,0,0,0|3,0,0]=4 989 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)C 2230a_100011997884_200000210301 [0,1,0,0,0,0|2,0,0]=3 990 B12R1.367 CN[C@@H](C)c1ccc(c(c1)F)C 34a_100011997884_200000210301 [0,1,0,0,0,0|2,0,0]=3 991 B12R1.367 CN[C@H](C)c1ccc(c(c1)C)C 2230a_100015184928_200000210301 [0,1,0,0,0,0|2,0,0]=3 992 B12R1.367 CN[C@H](C)c1ccc(c(c1)C)C 34a_100015184928_200000210301 [0,1,0,0,0,0|2,0,0]=3 993 B12R1.367 CN[C@H](C)c1ccc(c(c1)Cl)F 2230a_100016987892_200000210301 [0,1,0,0,0,0|3,0,0]=4 994 B12R1.367 CN[C@H](C)c1ccc(c(c1)Cl)F 34a_100016987892_200000210301 [0,1,0,0,0,0|3,0,0]=4 995 B12R1.367 CN[C@H](C)c1ccc(c(c1)F)Cl 2230a_100016987903_200000210301 [0,1,0,0,0,0|3,0,0]=4 996 B12R1.367 CN[C@H](C)c1ccc(c(c1)F)Cl 34a_100016987903_200000210301 [0,1,0,0,0,0|3,0,0]=4 997 B12R1.367 COC(C)c1ccc(c(c1)Br)F 34a_100011191524_200000210301 [0,1,0,0,0,0|3,0,0]=4 998 B12R1.367 COC(C)c1ccc(c(c1)Br)F 7a_100011191524_200000210301 [0,1,0,0,0,0|3,0,0]=4 999 B12R1.367 COC(C)c1ccc(c(c1)Cl)Cl 34a_100000742046_200000210301 [0,1,0,0,0,0|3,0,0]=4 1000 B12R1.367 COC(C)c1ccc(c(c1)Cl)Cl 7a_100000742046_200000210301 [0,1,0,0,0,0|3,0,0]=4 1001 B12R1.367 COC(C)c1ccc(c(c1)F)Cl 34a_100011944057_200000210301 [0,1,0,0,0,0|3,0,0]=4 1002 B12R1.367 COC(C)c1ccc(c(c1)F)Cl 7a_100011944057_200000210301 [0,1,0,0,0,0|3,0,0]=4 1003 B12R1.367 COC(C)c1ccc(c(c1)F)F 34a_100000246517_200000210301 [0,1,0,0,0,0|3,0,0]=4 1004 B12R1.367 COC(C)c1ccc(c(c1)F)F 7a_100000246517_200000210301 [0,1,0,0,0,0|3,0,0]=4 1005 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)Cl)F 2230a_100016987892_200025704644 [0,1,0,0,0,0|3,0,0]=4 1006 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)Cl)F 34a_100016987892_200025704644 [0,1,0,0,0,0|3,0,0]=4 1007 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)F)Cl 2230a_100016987903_200025704644 [0,1,0,0,0,0|3,0,0]=4 1008 B12R1.367 C[C@@H](N[13CH3])c1ccc(c(c1)F)Cl 34a_100016987903_200025704644 [0,1,0,0,0,0|3,0,0]=4 1009 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)Br)F 2230a_100000753309_200025704644 [0,1,0,0,0,0|3,0,0]=4 1010 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)Br)F 34a_100000753309_200025704644 [0,1,0,0,0,0|3,0,0]=4 1011 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)F)Br 2230a_100134618348_200025704644 [0,1,0,0,0,0|3,0,0]=4 1012 B12R1.367 C[C@H](N[13CH3])c1ccc(c(c1)F)Br 34a_100134618348_200025704644 [0,1,0,0,0,0|3,0,0]=4 1013 B12R1.367 Cc1cc(ccc1F)C(C)N[13CH3] 2230a_100000705826_200025704644 [0,1,0,0,0,0|3,0,0]=4 1014 B12R1.367 Cc1cc(ccc1F)C(C)N[13CH3] 34a_100000705826_200025704644 [0,1,0,0,0,0|3,0,0]=4 1015 B12R1.367 Cc1ccc(cc1Br)N(C)CF 269982a_100000707694_100015361967 [0,1,0,0,0,0|2,0,1]=4 1016 B12R1.367 Cc1ccc(cc1Br)N(C)CF 34a_100000707694_100015361967 [0,1,0,0,0,0|2,0,1]=4 1017 B12R1.367 Cc1ccc(cc1Br)N(C)CF 38a_100000707694_100015361967 [0,1,0,0,0,0|2,0,1]=4 1018 B12R1.367 Cc1ccc(cc1C)[C@@H](C)N[13CH3] 2230a_100015184928_200025704644 [0,1,0,0,0,0|2,0,0]=3 1019 B12R1.367 Cc1ccc(cc1C)[C@@H](C)N[13CH3] 34a_100015184928_200025704644 [0,1,0,0,0,0|2,0,0]=3 1020 B12R1.367 Cc1ccc(cc1Cl)C(C)N[13CH3] 2230a_100012005020_200025704644 [0,1,0,0,0,0|2,0,0]=3 1021 B12R1.367 Cc1ccc(cc1Cl)C(C)N[13CH3] 34a_100012005020_200025704644 [0,1,0,0,0,0|2,0,0]=3 1022 B12R1.367 Cc1ccc(cc1Cl)N(C)CF 269982a_100000220120_100015361967 [0,1,0,0,0,0|2,0,1]=4 1023 B12R1.367 Cc1ccc(cc1Cl)N(C)CF 34a_100000220120_100015361967 [0,1,0,0,0,0|2,0,1]=4 1024 B12R1.367 Cc1ccc(cc1Cl)N(C)CF 38a_100000220120_100015361967 [0,1,0,0,0,0|2,0,1]=4 1025 B12R1.367 Cc1ccc(cc1F)N(C)CF 269982a_100160572069_100015361967 [0,1,0,0,0,0|2,0,1]=4 1026 B12R1.367 Cc1ccc(cc1F)N(C)CF 34a_100160572069_100015361967 [0,1,0,0,0,0|2,0,1]=4 1027 B12R1.367 Cc1ccc(cc1F)N(C)CF 38a_100160572069_100015361967 [0,1,0,0,0,0|2,0,1]=4 1028 B12R1.367 Cc1ccc(cc1F)N(C)CF 7a_100160572069_100015361967 [0,1,0,0,0,0|2,0,1]=4 1029 B12R1.367 Cc1ccc(cc1F)[C@H](C)N[13CH3] 2230a_100011997884_200025704644 [0,1,0,0,0,0|2,0,0]=3 1030 B12R1.367 Cc1ccc(cc1F)[C@H](C)N[13CH3] 34a_100011997884_200025704644 [0,1,0,0,0,0|2,0,0]=3 1031 B12R1.1703 CC(N[13CH3])c1ccc(cc1Cl)Cl 2230a_100000179772_200025704644 [0,1,0,0,0,0|3,0,0]=4 1032 B12R1.1703 CC(N[13CH3])c1ccc(cc1Cl)Cl 34a_100000179772_200025704644 [0,1,0,0,0,0|3,0,0]=4 1033 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)Br 2230a_100000730447_200025704644 [0,1,0,0,0,0|3,0,0]=4 1034 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)Br 34a_100000730447_200025704644 [0,1,0,0,0,0|3,0,0]=4 1035 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)F 2230a_100000181410_200025704644 [0,1,0,0,0,0|3,0,0]=4 1036 B12R1.1703 CC(N[13CH3])c1ccc(cc1F)F 34a_100000181410_200025704644 [0,1,0,0,0,0|3,0,0]=4 1037 B12R1.1703 CC(O[13CH3])c1ccc(cc1Cl)Cl 34a_100000743050_200025704644 [0,1,0,0,0,0|3,0,0]=4 1038 B12R1.1703 CC(O[13CH3])c1ccc(cc1Cl)Cl 7a_100000743050_200025704644 [0,1,0,0,0,0|3,0,0]=4 1039 B12R1.1703 CC(O[13CH3])c1ccc(cc1Cl)F 34a_200011245020_200025704644 [0,1,0,0,0,0|3,0,0]=4 1040 B12R1.1703 CC(O[13CH3])c1ccc(cc1Cl)F 7a_200011245020_200025704644 [0,1,0,0,0,0|3,0,0]=4 1041 B12R1.1703 CC(O[13CH3])c1ccc(cc1F)Cl 34a_200011805215_200025704644 [0,1,0,0,0,0|3,0,0]=4 1042 B12R1.1703 CC(O[13CH3])c1ccc(cc1F)Cl 7a_200011805215_200025704644 [0,1,0,0,0,0|3,0,0]=4 1043 B12R1.1703 CC(O[13CH3])c1ccc(cc1F)F 34a_200000246518_200025704644 [0,1,0,0,0,0|3,0,0]=4 1044 B12R1.1703 CC(O[13CH3])c1ccc(cc1F)F 7a_200000246518_200025704644 [0,1,0,0,0,0|3,0,0]=4 1045 B12R1.1703 CCN(C)c1ccc(cc1Br)C 2230a_100000221369_100000210202 [0,1,0,0,0,0|2,0,1]=4 1046 B12R1.1703 CCN(C)c1ccc(cc1Br)C 269982a_100000221369_100000204670 [0,1,0,0,0,0|2,0,1]=4 1047 B12R1.1703 CCN(C)c1ccc(cc1Br)C 34a_100000221369_100000210202 [0,1,0,0,0,0|2,0,1]=4 1048 B12R1.1703 CNC(C)c1ccc(cc1Br)Br 269862a_106832991636_100000183147 [0,1,0,0,0,0|3,0,0]=4 1049 B12R1.1703 CNC(C)c1ccc(cc1Br)C 269862a_106832991636_100012353930 [0,1,0,0,0,0|2,0,0]=3 1050 B12R1.1703 CNC(C)c1ccc(cc1Br)Cl 269862a_106832991636_100011934292 [0,1,0,0,0,0|3,0,0]=4 1051 B12R1.1703 CNC(C)c1ccc(cc1Br)F 269862a_106832991636_100000686192 [0,1,0,0,0,0|3,0,0]=4 1052 B12R1.1703 CNC(C)c1ccc(cc1C)Br 269862a_106832991636_100012360112 [0,1,0,0,0,0|3,0,0]=4 1053 B12R1.1703 CNC(C)c1ccc(cc1C)C 269862a_106832991636_100000211561 [0,1,0,0,0,0|2,0,0]=3 1054 B12R1.1703 CNC(C)c1ccc(cc1C)Cl 269862a_106832991636_100011998434 [0,1,0,0,0,0|3,0,0]=4 1055 B12R1.1703 CNC(C)c1ccc(cc1C)F 269862a_106832991636_100000753884 [0,1,0,0,0,0|3,0,0]=4 1056 B12R1.1703 CNC(C)c1ccc(cc1Cl)Br 269862a_106832991636_100000693907 [0,1,0,0,0,0|3,0,0]=4 1057 B12R1.1703 CNC(C)c1ccc(cc1Cl)Cl 2230a_100000179772_200000210301 [0,1,0,0,0,0|3,0,0]=4 1058 B12R1.1703 CNC(C)c1ccc(cc1Cl)Cl 269862a_106832991636_100000210972 [0,1,0,0,0,0|3,0,0]=4 1059 B12R1.1703 CNC(C)c1ccc(cc1Cl)Cl 34a_100000179772_200000210301 [0,1,0,0,0,0|3,0,0]=4 1060 B12R1.1703 CNC(C)c1ccc(cc1Cl)F 269862a_106832991636_100000214953 [0,1,0,0,0,0|3,0,0]=4 1061 B12R1.1703 CNC(C)c1ccc(cc1F)Br 2230a_100000730447_200000210301 [0,1,0,0,0,0|3,0,0]=4 1062 B12R1.1703 CNC(C)c1ccc(cc1F)Br 269862a_106832991636_100000690205 [0,1,0,0,0,0|3,0,0]=4 1063 B12R1.1703 CNC(C)c1ccc(cc1F)Br 34a_100000730447_200000210301 [0,1,0,0,0,0|3,0,0]=4 1064 B12R1.1703 CNC(C)c1ccc(cc1F)C 269862a_106832991636_100011216410 [0,1,0,0,0,0|2,0,0]=3 1065 B12R1.1703 CNC(C)c1ccc(cc1F)Cl 269862a_106832991636_100011805184 [0,1,0,0,0,0|3,0,0]=4 1066 B12R1.1703 CNC(C)c1ccc(cc1F)F 2230a_100000181410_200000210301 [0,1,0,0,0,0|3,0,0]=4 1067 B12R1.1703 CNC(C)c1ccc(cc1F)F 269862a_106832991636_100000185200 [0,1,0,0,0,0|3,0,0]=4 1068 B12R1.1703 CNC(C)c1ccc(cc1F)F 34a_100000181410_200000210301 [0,1,0,0,0,0|3,0,0]=4 1069 B12R1.1703 CNC(C)c1ccc(cc1O)Br 269862a_106832991636_100000188348 [0,1,0,0,0,0|3,0,0]=4 1070 B12R1.1703 CNC(C)c1ccc(cc1O)C 269862a_106832991636_100000234885 [0,1,0,0,0,0|2,0,0]=3 1071 B12R1.1703 CNC(C)c1ccc(cc1O)Cl 269862a_106832991636_100000061402 [0,1,0,0,0,0|3,0,0]=4 1072 B12R1.1703 CNC(C)c1ccc(cc1O)F 269862a_106832991636_100011215782 [0,1,0,0,0,0|3,0,0]=4 1073 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)C 2230a_100000745882_200000210301 [0,1,0,0,0,0|2,0,0]=3 1074 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)C 34a_100000745882_200000210301 [0,1,0,0,0,0|2,0,0]=3 1075 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)Cl 2230a_100020633667_200000210301 [0,1,0,0,0,0|3,0,0]=4 1076 B12R1.1703 CN[C@@H](C)c1ccc(cc1C)Cl 34a_100020633667_200000210301 [0,1,0,0,0,0|3,0,0]=4 1077 B12R1.1703 CN[C@H](C)c1ccc(cc1Br)F 2230a_100025704064_200000210301 [0,1,0,0,0,0|3,0,0]=4 1078 B12R1.1703 CN[C@H](C)c1ccc(cc1Br)F 34a_100025704064_200000210301 [0,1,0,0,0,0|3,0,0]=4 1079 B12R1.1703 CN[C@H](C)c1ccc(cc1Cl)F 2230a_100015196781_200000210301 [0,1,0,0,0,0|3,0,0]=4 1080 B12R1.1703 CN[C@H](C)c1ccc(cc1Cl)F 34a_100015196781_200000210301 [0,1,0,0,0,0|3,0,0]=4 1081 B12R1.1703 COC(C)c1ccc(cc1C)C 34a_100000246504_200000210301 [0,1,0,0,0,0|2,0,0]=3 1082 B12R1.1703 COC(C)c1ccc(cc1C)C 7a_100000246504_200000210301 [0,1,0,0,0,0|2,0,0]=3 1083 B12R1.1703 COC(C)c1ccc(cc1Cl)Cl 34a_100000743050_200000210301 [0,1,0,0,0,0|3,0,0]=4 1084 B12R1.1703 COC(C)c1ccc(cc1Cl)Cl 7a_100000743050_200000210301 [0,1,0,0,0,0|3,0,0]=4 1085 B12R1.1703 COC(C)c1ccc(cc1Cl)F 34a_200011245020_200000210301 [0,1,0,0,0,0|3,0,0]=4 1086 B12R1.1703 COC(C)c1ccc(cc1Cl)F 7a_200011245020_200000210301 [0,1,0,0,0,0|3,0,0]=4 1087 B12R1.1703 COC(C)c1ccc(cc1F)Cl 34a_200011805215_200000210301 [0,1,0,0,0,0|3,0,0]=4 1088 B12R1.1703 COC(C)c1ccc(cc1F)Cl 7a_200011805215_200000210301 [0,1,0,0,0,0|3,0,0]=4 1089 B12R1.1703 COC(C)c1ccc(cc1F)F 34a_200000246518_200000210301 [0,1,0,0,0,0|3,0,0]=4 1090 B12R1.1703 COC(C)c1ccc(cc1F)F 7a_200000246518_200000210301 [0,1,0,0,0,0|3,0,0]=4 1091 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Br)F 2230a_100025704064_200025704644 [0,1,0,0,0,0|3,0,0]=4 1092 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Br)F 34a_100025704064_200025704644 [0,1,0,0,0,0|3,0,0]=4 1093 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Cl)F 2230a_100015196781_200025704644 [0,1,0,0,0,0|3,0,0]=4 1094 B12R1.1703 C[C@@H](N[13CH3])c1ccc(cc1Cl)F 34a_100015196781_200025704644 [0,1,0,0,0,0|3,0,0]=4 1095 B12R1.1703 Cc1cc(ccc1[C@H](C)N[13CH3])Cl 2230a_100020633667_200025704644 [0,1,0,0,0,0|3,0,0]=4 1096 B12R1.1703 Cc1cc(ccc1[C@H](C)N[13CH3])Cl 34a_100020633667_200025704644 [0,1,0,0,0,0|3,0,0]=4 1097 B12R1.1703 Cc1ccc(c(c1)Br)N(C)CF 269982a_100000221369_100015361967 [0,1,0,0,0,0|2,0,1]=4 1098 B12R1.1703 Cc1ccc(c(c1)Br)N(C)CF 34a_100000221369_100015361967 [0,1,0,0,0,0|2,0,1]=4 1099 B12R1.1703 Cc1ccc(c(c1)C)C(C)O[13CH3] 34a_100000246504_200025704644 [0,1,0,0,0,0|2,0,0]=3 1100 B12R1.1703 Cc1ccc(c(c1)C)C(C)O[13CH3] 7a_100000246504_200025704644 [0,1,0,0,0,0|2,0,0]=3 1101 B12R1.1703 Cc1ccc(c(c1)C)[C@H](C)N[13CH3] 2230a_100000745882_200025704644 [0,1,0,0,0,0|2,0,0]=3 1102 B12R1.1703 Cc1ccc(c(c1)C)[C@H](C)N[13CH3] 34a_100000745882_200025704644 [0,1,0,0,0,0|2,0,0]=3 1103 B12R2.79 NC1CC1c2ccc(cc2)O 271570a_203496583355_100000755575 [0,0,0,1,0,0|2,0,1]=4 1104 B12R2.612 Cc1c[nH]c2c1ccc(c2)O 271570a_203496583355_100010209589 [0,0,0,1,0,0|2,0,1]=4 1105 B12R2.612 Cc1coc2c1ccc(c2)O 271570a_203496583355_100010775837 [0,0,0,1,0,0|1,0,2]=4 1106 B12R2.612 Cn1ccc2c1ccc(c2)O 271570a_203496583355_100011202928 [0,0,0,1,0,0|3,0,0]=4 1107 B12R2.612 Cn1cnc2c1ccc(c2)O 271570a_203496583355_100000718706 [0,0,0,1,0,0|3,0,0]=4 1108 B12R2.2302 Oc1ccc(cc1)C2CCC2 271570a_203496583355_200010114027 [0,0,0,1,0,0|2,0,1]=4 1109 B12R2.2302 Oc1ccc(cc1)C2COC2 271570a_203496583355_100010732642 [0,0,0,1,0,0|1,0,2]=4 1110 B10R1.14 CNC(C)c1c[nH]c(c1)C 269862a_106832991636_100000133040 [0,0,0,0,1,0|3,0,0]=4 1111 B10R1.14 CNC(C)c1cc(cs1)C 269862a_106832991636_100000034720 [0,0,0,0,1,0|3,0,0]=4 1112 B10R1.14 CNC(C)c1ccc(o1)C 269862a_106832991636_100000204583 [0,0,0,0,1,0|3,0,0]=4 1113 B10R1.14 CNC(C)c1ccc(s1)C 269862a_106832991636_100000195387 [0,0,0,0,1,0|3,0,0]=4 1114 B10R1.14 CNC(C)c1ccn(c1)C 269862a_106832991636_100000732535 [0,0,0,0,1,0|3,0,0]=4 1115 B12R1.49 C#CC(C)Nc1ccc(cc1)Br 34a_100000210018_200000035995 [0,0,0,0,0,1|2,0,1]=4 1116 B12R1.49 C#CC(C)Nc1ccc(cc1)C 34a_100000124888_200000035995 [0,0,0,0,0,1|1,0,1]=3 1117 B12R1.49 C#CC(C)Nc1ccc(cc1)Cl 34a_100000210052_200000035995 [0,0,0,0,0,1|2,0,1]=4 1118 B12R1.49 C#CC(C)Nc1ccc(cc1)F 34a_100000185862_200000035995 [0,0,0,0,0,1|2,0,1]=4 1119 B12R1.49 C#CC(C)Nc1ccc(cc1)I 34a_100000185761_200000035995 [0,0,0,0,0,1|2,0,1]=4 1120 B12R1.49 C#CC(C)Nc1ccc(cc1)O 34a_100000185829_200000035995 [0,0,0,0,0,1|2,0,1]=4 1121 B12R1.49 C#CC(C)Oc1ccc(cc1)Br 34a_100000185759_200000035995 [0,0,0,0,0,1|2,0,1]=4 1122 B12R1.49 C#CC(C)Oc1ccc(cc1)C 34a_100000210336_200000035995 [0,0,0,0,0,1|1,0,1]=3 1123 B12R1.49 C#CC(C)Oc1ccc(cc1)Cl 34a_100000210216_200000035995 [0,0,0,0,0,1|2,0,1]=4 1124 B12R1.49 C#CC(C)Oc1ccc(cc1)F 34a_100000210339_200000035995 [0,0,0,0,0,1|2,0,1]=4 1125 B12R1.49 C#CC(C)Oc1ccc(cc1)I 34a_100000212066_200000035995 [0,0,0,0,0,1|2,0,1]=4 1126 B12R1.49 C#CC(C)Oc1ccc(cc1)N 34a_100000185829_200000035995 [0,0,0,0,0,1|2,0,1]=4 1127 B12R1.49 C#CC(C)Oc1ccc(cn1)C 34a_100000759353_200000035995 [0,0,0,0,0,1|2,0,1]=4 1128 B12R1.49 C#CC(C)Oc1ccc(nc1)C 34a_100000745506_200000035995 [0,0,0,0,0,1|2,0,1]=4 1129 B12R1.49 C#CC(C)Sc1ccc(cc1)Br 62a_200000035995_100000752885 [0,0,0,0,0,1|2,0,1]=4 1130 B12R1.49 C#CC(C)Sc1ccc(cc1)C 62a_200000035995_100000186775 [0,0,0,0,0,1|1,0,1]=3 1131 B12R1.49 C#CC(C)Sc1ccc(cc1)Cl 62a_200000035995_100000755918 [0,0,0,0,0,1|2,0,1]=4 1132 B12R1.49 C#CC(C)Sc1ccc(cc1)F 62a_200000035995_100000211213 [0,0,0,0,0,1|2,0,1]=4 1133 B12R1.49 C#CC(C)Sc1ccc(cc1)N 62a_200000035995_100000185761 [0,0,0,0,0,1|2,0,1]=4 1134 B12R1.49 C#CC(C)Sc1ccc(cc1)O 62a_200000035995_100000185759 [0,0,0,0,0,1|2,0,1]=4 1135 B12R1.49 C#CC(C)Sc1ccc(cn1)C 62a_200000035995_100000754016 [0,0,0,0,0,1|2,0,1]=4 1136 B12R1.49 C#CC(C)Sc1ccc(nc1)C 62a_200000035995_100000751577 [0,0,0,0,0,1|2,0,1]=4 1137 B12R1.49 C=CC(=O)Cc1ccc(cc1)C 1458a_100000185746_100000210814 [0,0,0,0,0,1|2,0,1]=4 1138 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185746 [0,0,0,0,0,1|2,0,1]=4 1139 B12R1.49 C=CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000185746 [0,0,0,0,0,1|2,0,1]=4 1140 B12R1.49 C=CC(C)Sc1cc[n+](cc1)[O-] 62a_100011215867_100000039755 [0,0,0,0,0,1|3,0,0]=4 1141 B12R1.49 C=CC(C)Sc1ccc(=O)[nH]c1 62a_100011215867_100000212171 [0,0,0,0,0,1|3,0,0]=4 1142 B12R1.49 C=CC(C)Sc1ccc(cc1)Br 62a_100011215867_100000752885 [0,0,0,0,0,1|2,0,0]=3 1143 B12R1.49 C=CC(C)Sc1ccc(cc1)C 62a_100011215867_100000186775 [0,0,0,0,0,1|1,0,0]=2 1144 B12R1.49 C=CC(C)Sc1ccc(cc1)Cl 62a_100011215867_100000755918 [0,0,0,0,0,1|2,0,0]=3 1145 B12R1.49 C=CC(C)Sc1ccc(cc1)F 62a_100011215867_100000211213 [0,0,0,0,0,1|2,0,0]=3 1146 B12R1.49 C=CC(C)Sc1ccc(cc1)N 62a_100011215867_100000185761 [0,0,0,0,0,1|2,0,0]=3 1147 B12R1.49 C=CC(C)Sc1ccc(cc1)O 62a_100011215867_100000185759 [0,0,0,0,0,1|2,0,0]=3 1148 B12R1.49 C=CC(C)Sc1ccc(cn1)Br 62a_100011215867_100000686858 [0,0,0,0,0,1|3,0,0]=4 1149 B12R1.49 C=CC(C)Sc1ccc(cn1)C 62a_100011215867_100000754016 [0,0,0,0,0,1|2,0,0]=3 1150 B12R1.49 C=CC(C)Sc1ccc(cn1)Cl 62a_100011215867_100011356976 [0,0,0,0,0,1|3,0,0]=4 1151 B12R1.49 C=CC(C)Sc1ccc(cn1)F 62a_100011215867_100000744514 [0,0,0,0,0,1|3,0,0]=4 1152 B12R1.49 C=CC(C)Sc1ccc(cn1)N 62a_100011215867_100000737798 [0,0,0,0,0,1|3,0,0]=4 1153 B12R1.49 C=CC(C)Sc1ccc(cn1)O 62a_100011215867_100000744096 [0,0,0,0,0,1|3,0,0]=4 1154 B12R1.49 C=CC(C)Sc1ccc(nc1)Br 62a_100011215867_100009814638 [0,0,0,0,0,1|3,0,0]=4 1155 B12R1.49 C=CC(C)Sc1ccc(nc1)C 62a_100011215867_100000751577 [0,0,0,0,0,1|2,0,0]=3 1156 B12R1.49 C=CC(C)Sc1ccc(nc1)Cl 62a_100011215867_100000034144 [0,0,0,0,0,1|3,0,0]=4 1157 B12R1.49 C=CC(C)Sc1ccc(nc1)F 62a_100011215867_100000042367 [0,0,0,0,0,1|3,0,0]=4 1158 B12R1.49 C=CC(C)Sc1ccc(nc1)N 62a_100011215867_100000187370 [0,0,0,0,0,1|3,0,0]=4 1159 B12R1.49 C=CC(C)Sc1ccc(nn1)C 62a_100011215867_100000744512 [0,0,0,0,0,1|3,0,0]=4 1160 B12R1.49 C=CC(C)Sc1cnc(cn1)C 62a_100011215867_100011999403 [0,0,0,0,0,1|3,0,0]=4 1161 B12R1.49 C=CC(C)Sc1cnc(nc1)C 62a_100011215867_100000686985 [0,0,0,0,0,1|3,0,0]=4 1162 B12R1.49 C=CC(C)Sc1ncc(cn1)C 62a_100011215867_100000061069 [0,0,0,0,0,1|3,0,0]=4 1163 B12R1.49 CC(C#N)Nc1ccc(cc1)Br 2230a_100000210018_100000184139 [0,0,0,0,0,1|2,0,1]=4 1164 B12R1.49 CC(C#N)Nc1ccc(cc1)Cl 2230a_100000210052_100000184139 [0,0,0,0,0,1|2,0,1]=4 1165 B12R1.49 CC(C#N)Oc1ccc(cc1)Br 7a_100000185759_100000703298 [0,0,0,0,0,1|2,0,1]=4 1166 B12R1.49 CC(C#N)Oc1ccc(cc1)Cl 7a_100000210216_100000703298 [0,0,0,0,0,1|2,0,1]=4 1167 B12R1.49 CC(C#N)Oc1ccc(cc1)I 7a_100000212066_100000703298 [0,0,0,0,0,1|2,0,1]=4 1168 B12R1.49 CC(C#N)Sc1ccc(cc1)Br 62a_100000703298_100000752885 [0,0,0,0,0,1|2,0,1]=4 1169 B12R1.49 CC(C#N)Sc1ccc(cc1)Br 62a_100000752885_100000703298 [0,0,0,0,0,1|2,0,1]=4 1170 B12R1.49 CC(C#N)Sc1ccc(cc1)Cl 62a_100000703298_100000755918 [0,0,0,0,0,1|2,0,1]=4 1171 B12R1.49 CC(C#N)Sc1ccc(cc1)Cl 62a_100000755918_100000703298 [0,0,0,0,0,1|2,0,1]=4 1172 B12R1.49 CC(C#N)Sc1ccc(cc1)F 62a_100000211213_100000703298 [0,0,0,0,0,1|2,0,1]=4 1173 B12R1.49 CC(C#N)Sc1ccc(cc1)F 62a_100000703298_100000211213 [0,0,0,0,0,1|2,0,1]=4 1174 B12R1.49 CC(C#N)Sc1ccc(cc1)N 62a_100000185761_100000703298 [0,0,0,0,0,1|2,0,1]=4 1175 B12R1.49 CC(C#N)Sc1ccc(cc1)N 62a_100000703298_100000185761 [0,0,0,0,0,1|2,0,1]=4 1176 B12R1.49 CC(C#N)Sc1ccc(cc1)O 62a_100000703298_100000185759 [0,0,0,0,0,1|2,0,1]=4 1177 B12R1.49 CC(CO)Nc1ccc(cc1)Br 2230a_100000210018_100012180447 [0,0,0,0,0,1|1,0,2]=4 1178 B12R1.49 CC(CO)Nc1ccc(cc1)Br 34a_100000210018_100012180447 [0,0,0,0,0,1|1,0,2]=4 1179 B12R1.49 CC(CO)Nc1ccc(cc1)Cl 2230a_100000210052_100012180447 [0,0,0,0,0,1|1,0,2]=4 1180 B12R1.49 CC(CO)Nc1ccc(cc1)Cl 34a_100000210052_100012180447 [0,0,0,0,0,1|1,0,2]=4 1181 B12R1.49 CC(CO)Nc1ccc(cc1)F 34a_100000185862_100012180447 [0,0,0,0,0,1|1,0,2]=4 1182 B12R1.49 CC(CO)Nc1ccc(cc1)I 34a_100000185761_100012180447 [0,0,0,0,0,1|1,0,2]=4 1183 B12R1.49 CC(CO)Nc1ccc(cc1)O 34a_100000185829_100012180447 [0,0,0,0,0,1|1,0,2]=4 1184 B12R1.49 CC(CO)Oc1ccc(cc1)Br 34a_100000185759_100012180447 [0,0,0,0,0,1|1,0,2]=4 1185 B12R1.49 CC(CO)Oc1ccc(cc1)Br 7a_100000185759_100012180447 [0,0,0,0,0,1|1,0,2]=4 1186 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 34a_100000210216_100012180447 [0,0,0,0,0,1|1,0,2]=4 1187 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 7a_100000210216_100012180447 [0,0,0,0,0,1|1,0,2]=4 1188 B12R1.49 CC(CO)Oc1ccc(cc1)F 34a_100000210339_100012180447 [0,0,0,0,0,1|1,0,2]=4 1189 B12R1.49 CC(CO)Oc1ccc(cc1)I 34a_100000212066_100012180447 [0,0,0,0,0,1|1,0,2]=4 1190 B12R1.49 CC(CO)Oc1ccc(cc1)I 7a_100000212066_100012180447 [0,0,0,0,0,1|1,0,2]=4 1191 B12R1.49 CC(CO)Oc1ccc(cc1)N 34a_100000185829_100012180447 [0,0,0,0,0,1|1,0,2]=4 1192 B12R1.49 CC(CO)Sc1ccc(cc1)Br 62a_100012180447_100000752885 [0,0,0,0,0,1|1,0,2]=4 1193 B12R1.49 CC(CO)Sc1ccc(cc1)Cl 62a_100012180447_100000755918 [0,0,0,0,0,1|1,0,2]=4 1194 B12R1.49 CC(CO)Sc1ccc(cc1)F 62a_100012180447_100000211213 [0,0,0,0,0,1|1,0,2]=4 1195 B12R1.49 CC(CO)Sc1ccc(cc1)N 62a_100012180447_100000185761 [0,0,0,0,0,1|1,0,2]=4 1196 B12R1.49 CC(CO)Sc1ccc(cc1)O 62a_100012180447_100000185759 [0,0,0,0,0,1|1,0,2]=4 1197 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 34a_100011351027_200025704644 [0,0,0,0,0,1|3,0,0]=4 1198 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 7a_100011351027_200025704644 [0,0,0,0,0,1|3,0,0]=4 1199 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 2230a_100102634573_200025704644 [0,0,0,0,0,1|3,0,0]=4 1200 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 34a_100102634573_200025704644 [0,0,0,0,0,1|3,0,0]=4 1201 B12R1.49 CCC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000758301 [0,0,0,0,0,1|2,0,1]=4 1202 B12R1.49 CCC(C)Nc1ccc(cc1)Br 34a_100000210018_100011215416 [0,0,0,0,0,1|2,0,1]=4 1203 B12R1.49 CCC(C)Nc1ccc(cc1)C 34a_100000124888_100011215416 [0,0,0,0,0,1|1,0,1]=3 1204 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000758301 [0,0,0,0,0,1|2,0,1]=4 1205 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100011215416 [0,0,0,0,0,1|2,0,1]=4 1206 B12R1.49 CCC(C)Nc1ccc(cc1)F 34a_100000185862_100011215416 [0,0,0,0,0,1|2,0,1]=4 1207 B12R1.49 CCC(C)Nc1ccc(cc1)I 34a_100000185761_100011215416 [0,0,0,0,0,1|2,0,1]=4 1208 B12R1.49 CCC(C)Nc1ccc(cc1)O 34a_100000185829_100011215416 [0,0,0,0,0,1|2,0,1]=4 1209 B12R1.49 CCC(C)Oc1ccc(cc1)Br 34a_100000185759_100011215416 [0,0,0,0,0,1|2,0,1]=4 1210 B12R1.49 CCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000758301 [0,0,0,0,0,1|2,0,1]=4 1211 B12R1.49 CCC(C)Oc1ccc(cc1)C 34a_100000210336_100011215416 [0,0,0,0,0,1|1,0,1]=3 1212 B12R1.49 CCC(C)Oc1ccc(cc1)C 7a_100000210336_100000758301 [0,0,0,0,0,1|1,0,1]=3 1213 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100011215416 [0,0,0,0,0,1|2,0,1]=4 1214 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000758301 [0,0,0,0,0,1|2,0,1]=4 1215 B12R1.49 CCC(C)Oc1ccc(cc1)F 34a_100000210339_100011215416 [0,0,0,0,0,1|2,0,1]=4 1216 B12R1.49 CCC(C)Oc1ccc(cc1)I 34a_100000212066_100011215416 [0,0,0,0,0,1|2,0,1]=4 1217 B12R1.49 CCC(C)Oc1ccc(cc1)I 7a_100000212066_100000758301 [0,0,0,0,0,1|2,0,1]=4 1218 B12R1.49 CCC(C)Oc1ccc(cc1)N 34a_100000185829_100011215416 [0,0,0,0,0,1|2,0,1]=4 1219 B12R1.49 CCC(C)Oc1ccc(cn1)C 34a_100000759353_100011215416 [0,0,0,0,0,1|2,0,1]=4 1220 B12R1.49 CCC(C)Oc1ccc(nc1)C 34a_100000745506_100011215416 [0,0,0,0,0,1|2,0,1]=4 1221 B12R1.49 CCC(C)Oc1ccc(nc1)C 7a_100000745506_100000758301 [0,0,0,0,0,1|2,0,1]=4 1222 B12R1.49 CCC(C)Sc1ccc(cc1)Br 62a_100000752885_100000758301 [0,0,0,0,0,1|2,0,1]=4 1223 B12R1.49 CCC(C)Sc1ccc(cc1)Br 62a_100000758301_100000752885 [0,0,0,0,0,1|2,0,1]=4 1224 B12R1.49 CCC(C)Sc1ccc(cc1)C 62a_100000186775_100000758301 [0,0,0,0,0,1|1,0,1]=3 1225 B12R1.49 CCC(C)Sc1ccc(cc1)C 62a_100000758301_100000186775 [0,0,0,0,0,1|1,0,1]=3 1226 B12R1.49 CCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000758301 [0,0,0,0,0,1|2,0,1]=4 1227 B12R1.49 CCC(C)Sc1ccc(cc1)Cl 62a_100000758301_100000755918 [0,0,0,0,0,1|2,0,1]=4 1228 B12R1.49 CCC(C)Sc1ccc(cc1)F 62a_100000211213_100000758301 [0,0,0,0,0,1|2,0,1]=4 1229 B12R1.49 CCC(C)Sc1ccc(cc1)F 62a_100000758301_100000211213 [0,0,0,0,0,1|2,0,1]=4 1230 B12R1.49 CCC(C)Sc1ccc(cc1)N 62a_100000185761_100000758301 [0,0,0,0,0,1|2,0,1]=4 1231 B12R1.49 CCC(C)Sc1ccc(cc1)N 62a_100000758301_100000185761 [0,0,0,0,0,1|2,0,1]=4 1232 B12R1.49 CCC(C)Sc1ccc(cc1)O 62a_100000758301_100000185759 [0,0,0,0,0,1|2,0,1]=4 1233 B12R1.49 CCC(C)Sc1ccc(cn1)C 62a_100000758301_100000754016 [0,0,0,0,0,1|2,0,1]=4 1234 B12R1.49 CCC(C)Sc1ccc(cn1)C 62a_100011192072_100000758301 [0,0,0,0,0,1|2,0,1]=4 1235 B12R1.49 CCC(C)Sc1ccc(nc1)C 62a_100000751577_100000758301 [0,0,0,0,0,1|2,0,1]=4 1236 B12R1.49 CCC(C)Sc1ccc(nc1)C 62a_100000758301_100000751577 [0,0,0,0,0,1|2,0,1]=4 1237 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000180869_200000210301 [0,0,0,0,0,1|2,0,1]=4 1238 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000225621_100000210814 [0,0,0,0,0,1|2,0,1]=4 1239 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000210202 [0,0,0,0,0,1|2,0,1]=4 1240 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000180869_200000210301 [0,0,0,0,0,1|2,0,1]=4 1241 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000225621_100000210814 [0,0,0,0,0,1|2,0,1]=4 1242 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000204670 [0,0,0,0,0,1|2,0,1]=4 1243 B12R1.49 CCN(C)Cc1ccc(cc1)C 26a_100000225621_200020625495 [0,0,0,0,0,1|2,0,1]=4 1244 B12R1.49 CCN(C)Cc1ccc(cc1)C 34a_100000744650_100000210202 [0,0,0,0,0,1|2,0,1]=4 1245 B12R1.49 CCN([13CH3])Cc1ccc(cc1)C 2230a_100000180869_200025704644 [0,0,0,0,0,1|2,0,1]=4 1246 B12R1.49 CCN([13CH3])Cc1ccc(cc1)C 269982a_100000180869_200025704644 [0,0,0,0,0,1|2,0,1]=4 1247 B12R1.49 CNC(C)Cc1ccc(cc1)Br 270004a_106832991635_100000691760 [0,0,0,0,0,1|3,0,0]=4 1248 B12R1.49 CNC(C)Cc1ccc(cc1)C 270004a_106832991635_100000751045 [0,0,0,0,0,1|2,0,0]=3 1249 B12R1.49 CNC(C)Cc1ccc(cc1)Cl 270004a_106832991635_100000747806 [0,0,0,0,0,1|3,0,0]=4 1250 B12R1.49 CNC(C)Cc1ccc(cc1)F 270004a_106832991635_100000745281 [0,0,0,0,0,1|3,0,0]=4 1251 B12R1.49 CNC(C)Cc1ccc(cc1)O 2230a_100102634573_200000210301 [0,0,0,0,0,1|3,0,0]=4 1252 B12R1.49 CNC(C)Cc1ccc(cc1)O 270004a_106832991635_100011218180 [0,0,0,0,0,1|3,0,0]=4 1253 B12R1.49 CNC(C)Cc1ccc(cc1)O 34a_100102634573_200000210301 [0,0,0,0,0,1|3,0,0]=4 1254 B12R1.49 COC(C)Cc1ccc(cc1)F 34a_100011351027_200000210301 [0,0,0,0,0,1|3,0,0]=4 1255 B12R1.49 COC(C)Cc1ccc(cc1)F 7a_100011351027_200000210301 [0,0,0,0,0,1|3,0,0]=4 1256 B12R1.49 COC(C)Sc1ccc(cc1)Br 62a_100000752885_100009879195 [0,0,0,0,0,1|3,0,0]=4 1257 B12R1.49 COC(C)Sc1ccc(cc1)Br 62a_100009879195_100000752885 [0,0,0,0,0,1|3,0,0]=4 1258 B12R1.49 COC(C)Sc1ccc(cc1)C 62a_100000186775_100009879195 [0,0,0,0,0,1|2,0,0]=3 1259 B12R1.49 COC(C)Sc1ccc(cc1)C 62a_100009879195_100000186775 [0,0,0,0,0,1|2,0,0]=3 1260 B12R1.49 COC(C)Sc1ccc(cc1)Cl 62a_100000755918_100009879195 [0,0,0,0,0,1|3,0,0]=4 1261 B12R1.49 COC(C)Sc1ccc(cc1)Cl 62a_100009879195_100000755918 [0,0,0,0,0,1|3,0,0]=4 1262 B12R1.49 COC(C)Sc1ccc(cc1)F 62a_100000211213_100009879195 [0,0,0,0,0,1|3,0,0]=4 1263 B12R1.49 COC(C)Sc1ccc(cc1)F 62a_100009879195_100000211213 [0,0,0,0,0,1|3,0,0]=4 1264 B12R1.49 COC(C)Sc1ccc(cc1)N 62a_100000185761_100009879195 [0,0,0,0,0,1|3,0,0]=4 1265 B12R1.49 COC(C)Sc1ccc(cc1)N 62a_100009879195_100000185761 [0,0,0,0,0,1|3,0,0]=4 1266 B12R1.49 COC(C)Sc1ccc(cc1)O 62a_100009879195_100000185759 [0,0,0,0,0,1|3,0,0]=4 1267 B12R1.49 COC(C)Sc1ccc(cn1)C 62a_100009879195_100000754016 [0,0,0,0,0,1|3,0,0]=4 1268 B12R1.49 COC(C)Sc1ccc(cn1)C 62a_100011192072_100009879195 [0,0,0,0,0,1|3,0,0]=4 1269 B12R1.49 COC(C)Sc1ccc(nc1)C 62a_100000751577_100009879195 [0,0,0,0,0,1|3,0,0]=4 1270 B12R1.49 COC(C)Sc1ccc(nc1)C 62a_100009879195_100000751577 [0,0,0,0,0,1|3,0,0]=4 1271 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Br 62a_100000752885_100016084084 [0,0,0,0,0,1|1,0,2]=4 1272 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Br 62a_100016084084_100000752885 [0,0,0,0,0,1|1,0,2]=4 1273 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Cl 62a_100000755918_100016084084 [0,0,0,0,0,1|1,0,2]=4 1274 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Cl 62a_100016084084_100000755918 [0,0,0,0,0,1|1,0,2]=4 1275 B12R1.49 C[C@H](CO)Sc1ccc(cc1)F 62a_100000211213_100016084084 [0,0,0,0,0,1|1,0,2]=4 1276 B12R1.49 C[C@H](CO)Sc1ccc(cc1)F 62a_100016084084_100000211213 [0,0,0,0,0,1|1,0,2]=4 1277 B12R1.49 C[C@H](CO)Sc1ccc(cc1)N 62a_100000185761_100016084084 [0,0,0,0,0,1|1,0,2]=4 1278 B12R1.49 C[C@H](CO)Sc1ccc(cc1)N 62a_100016084084_100000185761 [0,0,0,0,0,1|1,0,2]=4 1279 B12R1.49 C[C@H](CO)Sc1ccc(cc1)O 62a_100016084084_100000185759 [0,0,0,0,0,1|1,0,2]=4 1280 B12R1.49 Cc1ccc(cc1)CN(C)CF 269982a_100000744650_100015361967 [0,0,0,0,0,1|2,0,1]=4 1281 B12R1.49 Cc1ccc(cc1)CN(C)CF 34a_100000744650_100015361967 [0,0,0,0,0,1|2,0,1]=4 1282 B12R1.49 Cc1ccc(cc1)NC(C)CO 34a_100000124888_100012180447 [0,0,0,0,0,1|0,0,2]=3 1283 B12R1.49 Cc1ccc(cc1)OC(C)C#N 7a_100000210336_100000703298 [0,0,0,0,0,1|1,0,1]=3 1284 B12R1.49 Cc1ccc(cc1)OC(C)CO 34a_100000210336_100012180447 [0,0,0,0,0,1|0,0,2]=3 1285 B12R1.49 Cc1ccc(cc1)OC(C)CO 7a_100000210336_100012180447 [0,0,0,0,0,1|0,0,2]=3 1286 B12R1.49 Cc1ccc(cc1)SC(C)C#N 62a_100000186775_100000703298 [0,0,0,0,0,1|1,0,1]=3 1287 B12R1.49 Cc1ccc(cc1)SC(C)C#N 62a_100000703298_100000186775 [0,0,0,0,0,1|1,0,1]=3 1288 B12R1.49 Cc1ccc(cc1)SC(C)CO 62a_100012180447_100000186775 [0,0,0,0,0,1|0,0,2]=3 1289 B12R1.49 Cc1ccc(cc1)SC(F)C#N 62a_100000186775_200000117898 [0,0,0,0,0,1|2,0,1]=4 1290 B12R1.49 Cc1ccc(cc1)SC(F)C#N 62a_200000117898_100000186775 [0,0,0,0,0,1|2,0,1]=4 1291 B12R1.49 Cc1ccc(cc1)S[C@H](C)CO 62a_100000186775_100016084084 [0,0,0,0,0,1|0,0,2]=3 1292 B12R1.49 Cc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000186775 [0,0,0,0,0,1|0,0,2]=3 1293 B12R1.49 Cc1ccc(cn1)OC(C)C#N 7a_100000745506_100000703298 [0,0,0,0,0,1|2,0,1]=4 1294 B12R1.49 Cc1ccc(cn1)OC(C)CO 34a_100000745506_100012180447 [0,0,0,0,0,1|1,0,2]=4 1295 B12R1.49 Cc1ccc(cn1)OC(C)CO 7a_100000745506_100012180447 [0,0,0,0,0,1|1,0,2]=4 1296 B12R1.49 Cc1ccc(cn1)SC(C)C#N 62a_100000703298_100000751577 [0,0,0,0,0,1|2,0,1]=4 1297 B12R1.49 Cc1ccc(cn1)SC(C)C#N 62a_100000751577_100000703298 [0,0,0,0,0,1|2,0,1]=4 1298 B12R1.49 Cc1ccc(cn1)SC(C)CO 62a_100012180447_100000751577 [0,0,0,0,0,1|1,0,2]=4 1299 B12R1.49 Cc1ccc(cn1)S[C@H](C)CO 62a_100000751577_100016084084 [0,0,0,0,0,1|1,0,2]=4 1300 B12R1.49 Cc1ccc(cn1)S[C@H](C)CO 62a_100016084084_100000751577 [0,0,0,0,0,1|1,0,2]=4 1301 B12R1.49 Cc1ccc(nc1)OC(C)CO 34a_100000759353_100012180447 [0,0,0,0,0,1|1,0,2]=4 1302 B12R1.49 Cc1ccc(nc1)SC(C)C#N 62a_100000703298_100000754016 [0,0,0,0,0,1|2,0,1]=4 1303 B12R1.49 Cc1ccc(nc1)SC(C)C#N 62a_100011192072_100000703298 [0,0,0,0,0,1|2,0,1]=4 1304 B12R1.49 Cc1ccc(nc1)SC(C)CO 62a_100012180447_100000754016 [0,0,0,0,0,1|1,0,2]=4 1305 B12R1.49 Cc1ccc(nc1)S[C@H](C)CO 62a_100011192072_100016084084 [0,0,0,0,0,1|1,0,2]=4 1306 B12R1.49 Cc1ccc(nc1)S[C@H](C)CO 62a_100016084084_100000754016 [0,0,0,0,0,1|1,0,2]=4 1307 B9R1.1 C=Cc1ccc(cc1)Br 271570a_100011290941_100000752885 [2,0,0,0,0,0|1,0,1]=4 1308 B9R1.1 C=Cc1ccc(cc1)C 271570a_100011290941_100000186775 [2,0,0,0,0,0|0,0,1]=3 1309 B9R1.1 C=Cc1ccc(cc1)Cl 271570a_100011290941_100000755918 [2,0,0,0,0,0|1,0,1]=4 1310 B9R1.1 C=Cc1ccc(cc1)F 271570a_100011290941_100000211213 [2,0,0,0,0,0|1,0,1]=4 1311 B9R1.1 C=Cc1ccc(cc1)N 271570a_100011290941_100000185761 [2,0,0,0,0,0|1,0,1]=4 1312 B9R1.1 C=Cc1ccc(cc1)O 271570a_100011290941_100000185759 [2,0,0,0,0,0|1,0,1]=4 1313 B9R1.1 C=Cc1ccc(cn1)C 271570a_100011290941_100000754016 [2,0,0,0,0,0|1,0,1]=4 1314 B9R1.1 C=Cc1ccc(nc1)C 271570a_100011290941_100000751577 [2,0,0,0,0,0|1,0,1]=4 1315 B9R1.1 CCc1ccc(cc1)O 271570a_203496583355_100011215824 [2,0,0,0,0,0|1,0,0]=3 1316 B9R1.1 CCc1ccc(cn1)O 271570a_203496583355_100009820025 [2,0,0,0,0,0|2,0,0]=4 1317 B9R1.1 CCc1ccc(nc1)O 271570a_203496583355_100009843584 [2,0,0,0,0,0|2,0,0]=4 1318 B9R1.1 CNc1ccc(cc1)Br 2230a_100000210018_200000210301 [2,0,0,0,0,0|2,0,0]=4 1319 B9R1.1 CNc1ccc(cc1)Br 34a_100000210018_200000210301 [2,0,0,0,0,0|2,0,0]=4 1320 B9R1.1 CNc1ccc(cc1)C 34a_100000124888_200000210301 [2,0,0,0,0,0|1,0,0]=3 1321 B9R1.1 CNc1ccc(cc1)Cl 2230a_100000210052_200000210301 [2,0,0,0,0,0|2,0,0]=4 1322 B9R1.1 CNc1ccc(cc1)Cl 34a_100000210052_200000210301 [2,0,0,0,0,0|2,0,0]=4 1323 B9R1.1 CNc1ccc(cc1)F 34a_100000185862_200000210301 [2,0,0,0,0,0|2,0,0]=4 1324 B9R1.1 CNc1ccc(cc1)I 34a_100000185761_200000210301 [2,0,0,0,0,0|2,0,0]=4 1325 B9R1.1 CNc1ccc(cc1)O 271570a_203496583355_100000219623 [2,0,0,0,0,0|2,0,0]=4 1326 B9R1.1 CNc1ccc(cc1)O 34a_100000185829_200000210301 [2,0,0,0,0,0|2,0,0]=4 1327 B9R1.1 COc1ccc(cc1)Br 34a_100000185759_200000210301 [2,0,0,0,0,0|2,0,0]=4 1328 B9R1.1 COc1ccc(cc1)Br 7a_100000185759_200000210301 [2,0,0,0,0,0|2,0,0]=4 1329 B9R1.1 COc1ccc(cc1)C 34a_100000210336_200000210301 [2,0,0,0,0,0|1,0,0]=3 1330 B9R1.1 COc1ccc(cc1)C 7a_100000210336_200000210301 [2,0,0,0,0,0|1,0,0]=3 1331 B9R1.1 COc1ccc(cc1)Cl 34a_100000210216_200000210301 [2,0,0,0,0,0|2,0,0]=4 1332 B9R1.1 COc1ccc(cc1)Cl 7a_100000210216_200000210301 [2,0,0,0,0,0|2,0,0]=4 1333 B9R1.1 COc1ccc(cc1)F 34a_100000210339_200000210301 [2,0,0,0,0,0|2,0,0]=4 1334 B9R1.1 COc1ccc(cc1)I 34a_100000212066_200000210301 [2,0,0,0,0,0|2,0,0]=4 1335 B9R1.1 COc1ccc(cc1)I 7a_100000212066_200000210301 [2,0,0,0,0,0|2,0,0]=4 1336 B9R1.1 COc1ccc(cc1)N 34a_100000185829_200000210301 [2,0,0,0,0,0|2,0,0]=4 1337 B9R1.1 COc1ccc(cc1)O 271570a_203496583355_100000171711 [2,0,0,0,0,0|2,0,0]=4 1338 B9R1.1 COc1ccc(cn1)C 34a_100000759353_200000210301 [2,0,0,0,0,0|2,0,0]=4 1339 B9R1.1 COc1ccc(nc1)C 34a_100000745506_200000210301 [2,0,0,0,0,0|2,0,0]=4 1340 B9R1.1 COc1ccc(nc1)C 7a_100000745506_200000210301 [2,0,0,0,0,0|2,0,0]=4 1341 B9R1.1 CSc1ccc(cc1)Br 62a_100000752885_200000210301 [2,0,0,0,0,0|2,0,0]=4 1342 B9R1.1 CSc1ccc(cc1)Br 62a_200000210301_100000752885 [2,0,0,0,0,0|2,0,0]=4 1343 B9R1.1 CSc1ccc(cc1)C 62a_100000186775_200000210301 [2,0,0,0,0,0|1,0,0]=3 1344 B9R1.1 CSc1ccc(cc1)C 62a_200000210301_100000186775 [2,0,0,0,0,0|1,0,0]=3 1345 B9R1.1 CSc1ccc(cc1)Cl 62a_100000755918_200000210301 [2,0,0,0,0,0|2,0,0]=4 1346 B9R1.1 CSc1ccc(cc1)Cl 62a_200000210301_100000755918 [2,0,0,0,0,0|2,0,0]=4 1347 B9R1.1 CSc1ccc(cc1)F 62a_100000211213_200000210301 [2,0,0,0,0,0|2,0,0]=4 1348 B9R1.1 CSc1ccc(cc1)F 62a_200000210301_100000211213 [2,0,0,0,0,0|2,0,0]=4 1349 B9R1.1 CSc1ccc(cc1)N 62a_100000185761_200000210301 [2,0,0,0,0,0|2,0,0]=4 1350 B9R1.1 CSc1ccc(cc1)N 62a_200000210301_100000185761 [2,0,0,0,0,0|2,0,0]=4 1351 B9R1.1 CSc1ccc(cc1)O 271570a_203496583355_100011263217 [2,0,0,0,0,0|2,0,0]=4 1352 B9R1.1 CSc1ccc(cc1)O 62a_200000210301_100000185759 [2,0,0,0,0,0|2,0,0]=4 1353 B9R1.1 CSc1ccc(cn1)C 62a_100011192072_200000210301 [2,0,0,0,0,0|2,0,0]=4 1354 B9R1.1 CSc1ccc(cn1)C 62a_200000210301_100000754016 [2,0,0,0,0,0|2,0,0]=4 1355 B9R1.1 CSc1ccc(nc1)C 62a_100000751577_200000210301 [2,0,0,0,0,0|2,0,0]=4 1356 B9R1.1 CSc1ccc(nc1)C 62a_200000210301_100000751577 [2,0,0,0,0,0|2,0,0]=4 1357 B9R1.1 Cc1ccc(cc1)N[13CH3] 34a_100000124888_200025704644 [2,0,0,0,0,0|1,0,0]=3 1358 B9R1.1 Cc1ccc(cc1)O[13CH3] 34a_100000210336_200025704644 [2,0,0,0,0,0|1,0,0]=3 1359 B9R1.1 Cc1ccc(cc1)O[13CH3] 7a_100000210336_200025704644 [2,0,0,0,0,0|1,0,0]=3 1360 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_100000186775_200025704644 [2,0,0,0,0,0|1,0,0]=3 1361 B9R1.1 Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000186775 [2,0,0,0,0,0|1,0,0]=3 1362 B9R1.1 Cc1ccc(cn1)O[13CH3] 34a_100000745506_200025704644 [2,0,0,0,0,0|2,0,0]=4 1363 B9R1.1 Cc1ccc(cn1)O[13CH3] 7a_100000745506_200025704644 [2,0,0,0,0,0|2,0,0]=4 1364 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_100000751577_200025704644 [2,0,0,0,0,0|2,0,0]=4 1365 B9R1.1 Cc1ccc(cn1)S[13CH3] 62a_200025704644_100000751577 [2,0,0,0,0,0|2,0,0]=4 1366 B9R1.1 Cc1ccc(nc1)O[13CH3] 34a_100000759353_200025704644 [2,0,0,0,0,0|2,0,0]=4 1367 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_100011192072_200025704644 [2,0,0,0,0,0|2,0,0]=4 1368 B9R1.1 Cc1ccc(nc1)S[13CH3] 62a_200025704644_100000754016 [2,0,0,0,0,0|2,0,0]=4 1369 B9R1.1 NCc1ccc(cc1)O 271570a_203496583355_100016989417 [2,0,0,0,0,0|2,0,0]=4 1370 B9R1.1 O=Cc1ccc(cc1)O 271570a_203496583355_100000186029 [2,0,0,0,0,0|1,0,0]=3 1371 B9R1.1 O=Cc1ccc(cn1)O 271570a_203496583355_100000754260 [2,0,0,0,0,0|2,0,0]=4 1372 B9R1.1 O=Cc1ccc(nc1)O 271570a_203496583355_100000766901 [2,0,0,0,0,0|2,0,0]=4 1373 B9R1.1 OCc1ccc(cc1)O 271570a_203496583355_100000690907 [2,0,0,0,0,0|1,0,1]=4 1374 B9R1.1 Oc1ccc(cc1)CF 271570a_203496583355_100010268989 [2,0,0,0,0,0|2,0,0]=4 1375 B9R1.1 [13CH3]Nc1ccc(cc1)Br 2230a_100000210018_200025704644 [2,0,0,0,0,0|2,0,0]=4 1376 B9R1.1 [13CH3]Nc1ccc(cc1)Br 34a_100000210018_200025704644 [2,0,0,0,0,0|2,0,0]=4 1377 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 2230a_100000210052_200025704644 [2,0,0,0,0,0|2,0,0]=4 1378 B9R1.1 [13CH3]Nc1ccc(cc1)Cl 34a_100000210052_200025704644 [2,0,0,0,0,0|2,0,0]=4 1379 B9R1.1 [13CH3]Nc1ccc(cc1)F 34a_100000185862_200025704644 [2,0,0,0,0,0|2,0,0]=4 1380 B9R1.1 [13CH3]Nc1ccc(cc1)I 34a_100000185761_200025704644 [2,0,0,0,0,0|2,0,0]=4 1381 B9R1.1 [13CH3]Nc1ccc(cc1)O 34a_100000185829_200025704644 [2,0,0,0,0,0|2,0,0]=4 1382 B9R1.1 [13CH3]Oc1ccc(cc1)Br 34a_100000185759_200025704644 [2,0,0,0,0,0|2,0,0]=4 1383 B9R1.1 [13CH3]Oc1ccc(cc1)Br 7a_100000185759_200025704644 [2,0,0,0,0,0|2,0,0]=4 1384 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 34a_100000210216_200025704644 [2,0,0,0,0,0|2,0,0]=4 1385 B9R1.1 [13CH3]Oc1ccc(cc1)Cl 7a_100000210216_200025704644 [2,0,0,0,0,0|2,0,0]=4 1386 B9R1.1 [13CH3]Oc1ccc(cc1)F 34a_100000210339_200025704644 [2,0,0,0,0,0|2,0,0]=4 1387 B9R1.1 [13CH3]Oc1ccc(cc1)I 34a_100000212066_200025704644 [2,0,0,0,0,0|2,0,0]=4 1388 B9R1.1 [13CH3]Oc1ccc(cc1)I 7a_100000212066_200025704644 [2,0,0,0,0,0|2,0,0]=4 1389 B9R1.1 [13CH3]Oc1ccc(cc1)N 34a_100000185829_200025704644 [2,0,0,0,0,0|2,0,0]=4 1390 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_100000752885_200025704644 [2,0,0,0,0,0|2,0,0]=4 1391 B9R1.1 [13CH3]Sc1ccc(cc1)Br 62a_200025704644_100000752885 [2,0,0,0,0,0|2,0,0]=4 1392 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_100000755918_200025704644 [2,0,0,0,0,0|2,0,0]=4 1393 B9R1.1 [13CH3]Sc1ccc(cc1)Cl 62a_200025704644_100000755918 [2,0,0,0,0,0|2,0,0]=4 1394 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_100000211213_200025704644 [2,0,0,0,0,0|2,0,0]=4 1395 B9R1.1 [13CH3]Sc1ccc(cc1)F 62a_200025704644_100000211213 [2,0,0,0,0,0|2,0,0]=4 1396 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_100000185761_200025704644 [2,0,0,0,0,0|2,0,0]=4 1397 B9R1.1 [13CH3]Sc1ccc(cc1)N 62a_200025704644_100000185761 [2,0,0,0,0,0|2,0,0]=4 1398 B9R1.1 [13CH3]Sc1ccc(cc1)O 62a_200025704644_100000185759 [2,0,0,0,0,0|2,0,0]=4 1399 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|1,0,1]=4 1400 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|2,0,0]=4 1401 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|2,0,0]=4 1402 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|2,0,0]=4 1403 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|2,0,0]=4 1404 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|2,0,0]=4 1405 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|2,0,0]=4 1406 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|2,0,0]=4 1407 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|2,0,0]=4 1408 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|2,0,0]=4 1409 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|2,0,0]=4 1410 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|2,0,0]=4 1411 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|2,0,0]=4 1412 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|2,0,0]=4 1413 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|2,0,0]=4 1414 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|2,0,0]=4 1415 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|2,0,0]=4 1416 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|2,0,0]=4 1417 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|2,0,0]=4 1418 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [2,0,0,0,0,0|0,0,1]=3 1419 B9R1.6 C=C(C)c1ccccn1 271570a_100000694244_100011216584 [2,0,0,0,0,0|1,0,1]=4 1420 B9R1.6 C=C(C)c1cccnc1 271570a_100000694244_100000752921 [2,0,0,0,0,0|1,0,1]=4 1421 B9R1.6 C=C(C)c1ccncc1 271570a_100000694244_100000035832 [2,0,0,0,0,0|1,0,1]=4 1422 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [2,0,0,0,0,0|0,0,1]=3 1423 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [2,0,0,0,0,0|1,0,1]=4 1424 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [2,0,0,0,0,0|1,0,1]=4 1425 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [2,0,0,0,0,0|1,0,1]=4 1426 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [2,0,0,0,0,0|1,0,1]=4 1427 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [2,0,0,0,0,0|1,0,1]=4 1428 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [2,0,0,0,0,0|1,0,1]=4 1429 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [2,0,0,0,0,0|0,0,1]=3 1430 B11R1.1 C#CCNc1ccc(cc1)C 34a_100000124888_100000184674 [1,1,0,0,0,0|1,0,1]=4 1431 B11R1.1 C#CCOc1ccc(cc1)C 34a_100000210336_100000184674 [1,1,0,0,0,0|1,0,1]=4 1432 B11R1.1 C#CCOc1ccc(cc1)C 7a_100000210336_100000038162 [1,1,0,0,0,0|1,0,1]=4 1433 B11R1.1 C#CCSc1ccc(cc1)C 62a_100000038162_100000186775 [1,1,0,0,0,0|1,0,1]=4 1434 B11R1.1 C=CCNc1ccc(cc1)Br 2230a_100000210018_100000210623 [1,1,0,0,0,0|2,0,0]=4 1435 B11R1.1 C=CCNc1ccc(cc1)Br 34a_100000210018_100015514636 [1,1,0,0,0,0|2,0,0]=4 1436 B11R1.1 C=CCNc1ccc(cc1)C 34a_100000124888_100015514636 [1,1,0,0,0,0|1,0,0]=3 1437 B11R1.1 C=CCNc1ccc(cc1)Cl 2230a_100000210052_100000210623 [1,1,0,0,0,0|2,0,0]=4 1438 B11R1.1 C=CCNc1ccc(cc1)Cl 34a_100000210052_100015514636 [1,1,0,0,0,0|2,0,0]=4 1439 B11R1.1 C=CCNc1ccc(cc1)F 34a_100000185862_100015514636 [1,1,0,0,0,0|2,0,0]=4 1440 B11R1.1 C=CCNc1ccc(cc1)I 34a_100000185761_100015514636 [1,1,0,0,0,0|2,0,0]=4 1441 B11R1.1 C=CCNc1ccc(cc1)O 34a_100000185829_100015514636 [1,1,0,0,0,0|2,0,0]=4 1442 B11R1.1 C=CCOc1ccc(cc1)Br 34a_100000185759_100015514636 [1,1,0,0,0,0|2,0,0]=4 1443 B11R1.1 C=CCOc1ccc(cc1)Br 7a_100000185759_100015514636 [1,1,0,0,0,0|2,0,0]=4 1444 B11R1.1 C=CCOc1ccc(cc1)C 34a_100000210336_100015514636 [1,1,0,0,0,0|1,0,0]=3 1445 B11R1.1 C=CCOc1ccc(cc1)C 7a_100000210336_100015514636 [1,1,0,0,0,0|1,0,0]=3 1446 B11R1.1 C=CCOc1ccc(cc1)Cl 34a_100000210216_100015514636 [1,1,0,0,0,0|2,0,0]=4 1447 B11R1.1 C=CCOc1ccc(cc1)Cl 7a_100000210216_100015514636 [1,1,0,0,0,0|2,0,0]=4 1448 B11R1.1 C=CCOc1ccc(cc1)F 34a_100000210339_100015514636 [1,1,0,0,0,0|2,0,0]=4 1449 B11R1.1 C=CCOc1ccc(cc1)I 34a_100000212066_100015514636 [1,1,0,0,0,0|2,0,0]=4 1450 B11R1.1 C=CCOc1ccc(cc1)I 7a_100000212066_100015514636 [1,1,0,0,0,0|2,0,0]=4 1451 B11R1.1 C=CCOc1ccc(cc1)N 34a_100000185829_100015514636 [1,1,0,0,0,0|2,0,0]=4 1452 B11R1.1 C=CCOc1ccc(cc1)O 271570a_203496583355_100000172055 [1,1,0,0,0,0|2,0,0]=4 1453 B11R1.1 C=CCOc1ccc(cn1)C 34a_100000759353_100015514636 [1,1,0,0,0,0|2,0,0]=4 1454 B11R1.1 C=CCOc1ccc(nc1)C 34a_100000745506_100015514636 [1,1,0,0,0,0|2,0,0]=4 1455 B11R1.1 C=CCOc1ccc(nc1)C 7a_100000745506_100015514636 [1,1,0,0,0,0|2,0,0]=4 1456 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000210623_100000752885 [1,1,0,0,0,0|2,0,0]=4 1457 B11R1.1 C=CCSc1ccc(cc1)Br 62a_100000752885_100000210623 [1,1,0,0,0,0|2,0,0]=4 1458 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000186775_100000210623 [1,1,0,0,0,0|1,0,0]=3 1459 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000210623_100000186775 [1,1,0,0,0,0|1,0,0]=3 1460 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000210623_100000755918 [1,1,0,0,0,0|2,0,0]=4 1461 B11R1.1 C=CCSc1ccc(cc1)Cl 62a_100000755918_100000210623 [1,1,0,0,0,0|2,0,0]=4 1462 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000210623_100000211213 [1,1,0,0,0,0|2,0,0]=4 1463 B11R1.1 C=CCSc1ccc(cc1)F 62a_100000211213_100000210623 [1,1,0,0,0,0|2,0,0]=4 1464 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000185761_100000210623 [1,1,0,0,0,0|2,0,0]=4 1465 B11R1.1 C=CCSc1ccc(cc1)N 62a_100000210623_100000185761 [1,1,0,0,0,0|2,0,0]=4 1466 B11R1.1 C=CCSc1ccc(cc1)O 62a_100000210623_100000185759 [1,1,0,0,0,0|2,0,0]=4 1467 B11R1.1 C=CCSc1ccc(cn1)C 62a_100000210623_100000754016 [1,1,0,0,0,0|2,0,0]=4 1468 B11R1.1 C=CCSc1ccc(cn1)C 62a_100011192072_100000210623 [1,1,0,0,0,0|2,0,0]=4 1469 B11R1.1 C=CCSc1ccc(nc1)C 62a_100000210623_100000751577 [1,1,0,0,0,0|2,0,0]=4 1470 B11R1.1 C=CCSc1ccc(nc1)C 62a_100000751577_100000210623 [1,1,0,0,0,0|2,0,0]=4 1471 B11R1.1 CC=NNc1ccc(cc1)C 4a_100000683527_200000210099 [1,1,0,0,0,0|2,0,0]=4 1472 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [1,1,0,0,0,0|1,0,1]=4 1473 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [1,1,0,0,0,0|1,0,1]=4 1474 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [1,1,0,0,0,0|1,0,1]=4 1475 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [1,1,0,0,0,0|1,0,1]=4 1476 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [1,1,0,0,0,0|1,0,1]=4 1477 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [1,1,0,0,0,0|1,0,1]=4 1478 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [1,1,0,0,0,0|1,0,1]=4 1479 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [1,1,0,0,0,0|1,0,1]=4 1480 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [1,1,0,0,0,0|1,0,1]=4 1481 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [1,1,0,0,0,0|1,0,1]=4 1482 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [1,1,0,0,0,0|1,0,1]=4 1483 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [1,1,0,0,0,0|1,0,1]=4 1484 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [1,1,0,0,0,0|1,0,1]=4 1485 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [1,1,0,0,0,0|1,0,1]=4 1486 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [1,1,0,0,0,0|1,0,1]=4 1487 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [1,1,0,0,0,0|1,0,1]=4 1488 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [1,1,0,0,0,0|1,0,1]=4 1489 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [1,1,0,0,0,0|1,0,1]=4 1490 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [1,1,0,0,0,0|1,0,1]=4 1491 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [1,1,0,0,0,0|1,0,1]=4 1492 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [1,1,0,0,0,0|1,0,1]=4 1493 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [1,1,0,0,0,0|0,0,2]=4 1494 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [1,1,0,0,0,0|0,0,2]=4 1495 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [1,1,0,0,0,0|0,0,2]=4 1496 B11R1.1 COCSc1ccc(cc1)C 62a_100000186775_100000766300 [1,1,0,0,0,0|2,0,0]=4 1497 B11R1.1 COCSc1ccc(cc1)C 62a_100000766300_100000186775 [1,1,0,0,0,0|2,0,0]=4 1498 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [1,1,0,0,0,0|0,1,1]=4 1499 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [1,1,0,0,0,0|0,1,1]=4 1500 B11R1.1 CSCNc1ccc(cc1)C 34a_100000124888_100011218213 [1,1,0,0,0,0|2,0,0]=4 1501 B11R1.1 CSCOc1ccc(cc1)C 34a_100000210336_100011218213 [1,1,0,0,0,0|2,0,0]=4 1502 B11R1.1 CSCSc1ccc(cc1)C 62a_100000186775_100011218213 [1,1,0,0,0,0|2,0,0]=4 1503 B11R1.1 CSCSc1ccc(cc1)C 62a_100011218213_100000186775 [1,1,0,0,0,0|2,0,0]=4 1504 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [1,1,0,0,0,0|1,0,1]=4 1505 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [1,1,0,0,0,0|1,0,1]=4 1506 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [1,1,0,0,0,0|0,0,2]=4 1507 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [1,1,0,0,0,0|0,0,2]=4 1508 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [1,1,0,0,0,0|0,1,1]=4 1509 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [1,1,0,0,0,0|0,1,1]=4 1510 B11R1.1 Cc1ccc(cc1)CNCF 34a_100000174908_100015361967 [1,1,0,0,0,0|1,0,1]=4 1511 B11R1.1 Cc1ccc(cc1)COCF 34a_100011215236_100015361967 [1,1,0,0,0,0|1,0,1]=4 1512 B11R1.1 Cc1ccc(cc1)COCF 7a_100011215236_100015361967 [1,1,0,0,0,0|1,0,1]=4 1513 B11R1.1 Cc1ccc(cc1)CSCF 62a_100000210814_100015361967 [1,1,0,0,0,0|1,0,1]=4 1514 B11R1.1 Cc1ccc(cc1)CSCF 62a_100015361967_100000210814 [1,1,0,0,0,0|1,0,1]=4 1515 B11R1.1 Cc1ccc(cc1)NCC=O 34a_100000124888_200009817547 [1,1,0,0,0,0|0,0,0]=2 1516 B11R1.1 Cc1ccc(cc1)NCCF 34a_100000124888_100011217306 [1,1,0,0,0,0|1,0,1]=4 1517 B11R1.1 Cc1ccc(cc1)NCCO 34a_100000124888_100000211926 [1,1,0,0,0,0|0,0,2]=4 1518 B11R1.1 Cc1ccc(cc1)OCC#N 7a_100000210336_100011215382 [1,1,0,0,0,0|1,0,1]=4 1519 B11R1.1 Cc1ccc(cc1)OCC=O 34a_100000210336_200009817547 [1,1,0,0,0,0|0,0,0]=2 1520 B11R1.1 Cc1ccc(cc1)OCC=O 7a_100000210336_200015260668 [1,1,0,0,0,0|0,0,0]=2 1521 B11R1.1 Cc1ccc(cc1)OCCF 34a_100000210336_100011217306 [1,1,0,0,0,0|1,0,1]=4 1522 B11R1.1 Cc1ccc(cc1)OCCF 7a_100000210336_100011217306 [1,1,0,0,0,0|1,0,1]=4 1523 B11R1.1 Cc1ccc(cc1)OCCO 34a_100000210336_100000211926 [1,1,0,0,0,0|0,0,2]=4 1524 B11R1.1 Cc1ccc(cc1)OCCO 7a_100000210336_100000211926 [1,1,0,0,0,0|0,0,2]=4 1525 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100000186775_100011215382 [1,1,0,0,0,0|1,0,1]=4 1526 B11R1.1 Cc1ccc(cc1)SCC#N 62a_100011215382_100000186775 [1,1,0,0,0,0|1,0,1]=4 1527 B11R1.1 Cc1ccc(cc1)SCC=O 62a_100000186775_200015260668 [1,1,0,0,0,0|0,0,0]=2 1528 B11R1.1 Cc1ccc(cc1)SCC=O 62a_200015260668_100000186775 [1,1,0,0,0,0|0,0,0]=2 1529 B11R1.1 Cc1ccc(cc1)SCCF 62a_100000186775_100011217306 [1,1,0,0,0,0|1,0,1]=4 1530 B11R1.1 Cc1ccc(cc1)SCCF 62a_100011217306_100000186775 [1,1,0,0,0,0|1,0,1]=4 1531 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000186775_100000211926 [1,1,0,0,0,0|0,0,2]=4 1532 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000211926_100000186775 [1,1,0,0,0,0|0,0,2]=4 1533 B11R1.1 Cc1ccc(cn1)OCC=O 34a_100000745506_200009817547 [1,1,0,0,0,0|1,0,0]=3 1534 B11R1.1 Cc1ccc(cn1)OCC=O 7a_100000745506_200015260668 [1,1,0,0,0,0|1,0,0]=3 1535 B11R1.1 Cc1ccc(cn1)SCC=O 62a_100000751577_200015260668 [1,1,0,0,0,0|1,0,0]=3 1536 B11R1.1 Cc1ccc(cn1)SCC=O 62a_200015260668_100000751577 [1,1,0,0,0,0|1,0,0]=3 1537 B11R1.1 Cc1ccc(nc1)OCC=O 34a_100000759353_200009817547 [1,1,0,0,0,0|1,0,0]=3 1538 B11R1.1 Cc1ccc(nc1)SCC=O 62a_100011192072_200015260668 [1,1,0,0,0,0|1,0,0]=3 1539 B11R1.1 Cc1ccc(nc1)SCC=O 62a_200015260668_100000754016 [1,1,0,0,0,0|1,0,0]=3 1540 B11R1.1 Cc1ccc(nn1)SCC=O 62a_100000744512_200015260668 [1,1,0,0,0,0|2,0,0]=4 1541 B11R1.1 Cc1ccc(nn1)SCC=O 62a_200015260668_100000744512 [1,1,0,0,0,0|2,0,0]=4 1542 B11R1.1 Cc1cnc(cn1)SCC=O 62a_100011999403_200015260668 [1,1,0,0,0,0|2,0,0]=4 1543 B11R1.1 Cc1cnc(cn1)SCC=O 62a_200015260668_100011999403 [1,1,0,0,0,0|2,0,0]=4 1544 B11R1.1 Cc1cnc(nc1)SCC=O 62a_100000061069_200015260668 [1,1,0,0,0,0|2,0,0]=4 1545 B11R1.1 Cc1cnc(nc1)SCC=O 62a_200015260668_100000061069 [1,1,0,0,0,0|2,0,0]=4 1546 B11R1.1 Cc1ncc(cn1)OCC=O 34a_100000062939_200009817547 [1,1,0,0,0,0|2,0,0]=4 1547 B11R1.1 Cc1ncc(cn1)OCC=O 7a_100000062939_200015260668 [1,1,0,0,0,0|2,0,0]=4 1548 B11R1.1 Cc1ncc(cn1)SCC=O 62a_100000686985_200015260668 [1,1,0,0,0,0|2,0,0]=4 1549 B11R1.1 Cc1ncc(cn1)SCC=O 62a_200015260668_100000686985 [1,1,0,0,0,0|2,0,0]=4 1550 B11R1.1 Nc1ccc(cc1)OCC=O 34a_100000185829_200009817547 [1,1,0,0,0,0|1,0,0]=3 1551 B11R1.1 Nc1ccc(cc1)SCC=O 62a_100000185761_200015260668 [1,1,0,0,0,0|1,0,0]=3 1552 B11R1.1 Nc1ccc(cc1)SCC=O 62a_200015260668_100000185761 [1,1,0,0,0,0|1,0,0]=3 1553 B11R1.1 Nc1ccc(cn1)OCC=O 34a_100015188713_200009817547 [1,1,0,0,0,0|2,0,0]=4 1554 B11R1.1 Nc1ccc(cn1)OCC=O 7a_100015188713_200015260668 [1,1,0,0,0,0|2,0,0]=4 1555 B11R1.1 Nc1ccc(cn1)SCC=O 62a_100000187370_200015260668 [1,1,0,0,0,0|2,0,0]=4 1556 B11R1.1 Nc1ccc(cn1)SCC=O 62a_200015260668_100000187370 [1,1,0,0,0,0|2,0,0]=4 1557 B11R1.1 Nc1ccc(nc1)OCC=O 34a_100000729260_200009817547 [1,1,0,0,0,0|2,0,0]=4 1558 B11R1.1 Nc1ccc(nc1)SCC=O 62a_100000737798_200015260668 [1,1,0,0,0,0|2,0,0]=4 1559 B11R1.1 Nc1ccc(nc1)SCC=O 62a_200015260668_100000737798 [1,1,0,0,0,0|2,0,0]=4 1560 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [1,1,0,0,0,0|1,0,0]=3 1561 B11R1.1 O=CCNc1ccc(cc1)Br 2230a_100000210018_200015260668 [1,1,0,0,0,0|1,0,0]=3 1562 B11R1.1 O=CCNc1ccc(cc1)Br 34a_100000210018_200009817547 [1,1,0,0,0,0|1,0,0]=3 1563 B11R1.1 O=CCNc1ccc(cc1)Cl 2230a_100000210052_200015260668 [1,1,0,0,0,0|1,0,0]=3 1564 B11R1.1 O=CCNc1ccc(cc1)Cl 34a_100000210052_200009817547 [1,1,0,0,0,0|1,0,0]=3 1565 B11R1.1 O=CCNc1ccc(cc1)F 34a_100000185862_200009817547 [1,1,0,0,0,0|1,0,0]=3 1566 B11R1.1 O=CCNc1ccc(cc1)I 34a_100000185761_200009817547 [1,1,0,0,0,0|1,0,0]=3 1567 B11R1.1 O=CCNc1ccc(cc1)O 34a_100000185829_200009817547 [1,1,0,0,0,0|1,0,0]=3 1568 B11R1.1 O=CCOc1ccc(=O)[nH]c1 34a_100000075641_200009817547 [1,1,0,0,0,0|2,0,0]=4 1569 B11R1.1 O=CCOc1ccc(cc1)Br 34a_100000185759_200009817547 [1,1,0,0,0,0|1,0,0]=3 1570 B11R1.1 O=CCOc1ccc(cc1)Br 7a_100000185759_200015260668 [1,1,0,0,0,0|1,0,0]=3 1571 B11R1.1 O=CCOc1ccc(cc1)Cl 34a_100000210216_200009817547 [1,1,0,0,0,0|1,0,0]=3 1572 B11R1.1 O=CCOc1ccc(cc1)Cl 7a_100000210216_200015260668 [1,1,0,0,0,0|1,0,0]=3 1573 B11R1.1 O=CCOc1ccc(cc1)F 34a_100000210339_200009817547 [1,1,0,0,0,0|1,0,0]=3 1574 B11R1.1 O=CCOc1ccc(cc1)I 34a_100000212066_200009817547 [1,1,0,0,0,0|1,0,0]=3 1575 B11R1.1 O=CCOc1ccc(cc1)I 7a_100000212066_200015260668 [1,1,0,0,0,0|1,0,0]=3 1576 B11R1.1 O=CCOc1ccc(cn1)Cl 34a_100011215309_200009817547 [1,1,0,0,0,0|2,0,0]=4 1577 B11R1.1 O=CCOc1ccc(cn1)F 34a_100000742473_200009817547 [1,1,0,0,0,0|2,0,0]=4 1578 B11R1.1 O=CCOc1ccc(nc1)Br 34a_100000685995_200009817547 [1,1,0,0,0,0|2,0,0]=4 1579 B11R1.1 O=CCOc1ccc(nc1)Br 7a_100000685995_200015260668 [1,1,0,0,0,0|2,0,0]=4 1580 B11R1.1 O=CCOc1ccc(nc1)Cl 34a_100000744096_200009817547 [1,1,0,0,0,0|2,0,0]=4 1581 B11R1.1 O=CCOc1ccc(nc1)Cl 7a_100000744096_200015260668 [1,1,0,0,0,0|2,0,0]=4 1582 B11R1.1 O=CCOc1ccc(nc1)F 34a_100000688820_200009817547 [1,1,0,0,0,0|2,0,0]=4 1583 B11R1.1 O=CCOc1ccc(nc1)F 7a_100000688820_200015260668 [1,1,0,0,0,0|2,0,0]=4 1584 B11R1.1 O=CCOc1ccc(nc1)I 34a_100000687607_200009817547 [1,1,0,0,0,0|2,0,0]=4 1585 B11R1.1 O=CCOc1ccc(nc1)I 7a_100000687607_200015260668 [1,1,0,0,0,0|2,0,0]=4 1586 B11R1.1 O=CCSc1cc[n+](cc1)[O-] 62a_200015260668_100000039755 [1,1,0,0,0,0|2,0,0]=4 1587 B11R1.1 O=CCSc1ccc(=O)[nH]c1 62a_100000212171_200015260668 [1,1,0,0,0,0|2,0,0]=4 1588 B11R1.1 O=CCSc1ccc(=O)[nH]c1 62a_200015260668_100000212171 [1,1,0,0,0,0|2,0,0]=4 1589 B11R1.1 O=CCSc1ccc(cc1)Br 62a_100000752885_200015260668 [1,1,0,0,0,0|1,0,0]=3 1590 B11R1.1 O=CCSc1ccc(cc1)Br 62a_200015260668_100000752885 [1,1,0,0,0,0|1,0,0]=3 1591 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_100000755918_200015260668 [1,1,0,0,0,0|1,0,0]=3 1592 B11R1.1 O=CCSc1ccc(cc1)Cl 62a_200015260668_100000755918 [1,1,0,0,0,0|1,0,0]=3 1593 B11R1.1 O=CCSc1ccc(cc1)F 62a_100000211213_200015260668 [1,1,0,0,0,0|1,0,0]=3 1594 B11R1.1 O=CCSc1ccc(cc1)F 62a_200015260668_100000211213 [1,1,0,0,0,0|1,0,0]=3 1595 B11R1.1 O=CCSc1ccc(cc1)O 62a_200015260668_100000185759 [1,1,0,0,0,0|1,0,0]=3 1596 B11R1.1 O=CCSc1ccc(cn1)Br 62a_100000686858_200015260668 [1,1,0,0,0,0|2,0,0]=4 1597 B11R1.1 O=CCSc1ccc(cn1)Br 62a_200015260668_100000686858 [1,1,0,0,0,0|2,0,0]=4 1598 B11R1.1 O=CCSc1ccc(cn1)Cl 62a_100011356976_200015260668 [1,1,0,0,0,0|2,0,0]=4 1599 B11R1.1 O=CCSc1ccc(cn1)Cl 62a_200015260668_100011356976 [1,1,0,0,0,0|2,0,0]=4 1600 B11R1.1 O=CCSc1ccc(cn1)F 62a_100000744514_200015260668 [1,1,0,0,0,0|2,0,0]=4 1601 B11R1.1 O=CCSc1ccc(cn1)F 62a_200015260668_100000744514 [1,1,0,0,0,0|2,0,0]=4 1602 B11R1.1 O=CCSc1ccc(cn1)O 62a_100000685995_200015260668 [1,1,0,0,0,0|2,0,0]=4 1603 B11R1.1 O=CCSc1ccc(cn1)O 62a_200015260668_100000744096 [1,1,0,0,0,0|2,0,0]=4 1604 B11R1.1 O=CCSc1ccc(nc1)Br 62a_100009814638_200015260668 [1,1,0,0,0,0|2,0,0]=4 1605 B11R1.1 O=CCSc1ccc(nc1)Br 62a_200015260668_100009814638 [1,1,0,0,0,0|2,0,0]=4 1606 B11R1.1 O=CCSc1ccc(nc1)Cl 62a_100000034144_200015260668 [1,1,0,0,0,0|2,0,0]=4 1607 B11R1.1 O=CCSc1ccc(nc1)Cl 62a_200015260668_100000034144 [1,1,0,0,0,0|2,0,0]=4 1608 B11R1.1 O=CCSc1ccc(nc1)F 62a_100000042367_200015260668 [1,1,0,0,0,0|2,0,0]=4 1609 B11R1.1 O=CCSc1ccc(nc1)F 62a_200015260668_100000042367 [1,1,0,0,0,0|2,0,0]=4 1610 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [1,1,0,0,0,0|1,0,1]=4 1611 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [1,1,0,0,0,0|1,0,0]=3 1612 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [1,1,0,0,0,0|1,0,0]=3 1613 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,1,0,0,0,0|0,0,0]=2 1614 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,1,0,0,0,0|0,0,0]=2 1615 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,1,0,0,0,0|1,0,0]=3 1616 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,1,0,0,0,0|1,0,0]=3 1617 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [1,1,0,0,0,0|1,0,0]=3 1618 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [1,1,0,0,0,0|1,0,0]=3 1619 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [1,1,0,0,0,0|1,0,0]=3 1620 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [1,1,0,0,0,0|1,0,0]=3 1621 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,1,0,0,0,0|1,0,0]=3 1622 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,1,0,0,0,0|1,0,0]=3 1623 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100000070787_100000702658 [1,1,0,0,0,0|2,0,0]=4 1624 B11R1.20 CC(=O)Cc1ccc(cn1)Br 1458a_100020629044_200000210301 [1,1,0,0,0,0|2,0,0]=4 1625 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100000070787_100000691093 [1,1,0,0,0,0|1,0,0]=3 1626 B11R1.20 CC(=O)Cc1ccc(cn1)C 1458a_100025705728_200000210301 [1,1,0,0,0,0|1,0,0]=3 1627 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [1,1,0,0,0,0|2,0,0]=4 1628 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [1,1,0,0,0,0|2,0,0]=4 1629 B11R1.20 CC(=O)Cc1ccc(cn1)F 1458a_100000070787_100000703193 [1,1,0,0,0,0|2,0,0]=4 1630 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100000070787_100009831999 [1,1,0,0,0,0|2,0,0]=4 1631 B11R1.20 CC(=O)Cc1ccc(nc1)Br 1458a_100010067268_200000210301 [1,1,0,0,0,0|2,0,0]=4 1632 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000070787_100016987292 [1,1,0,0,0,0|1,0,0]=3 1633 B11R1.20 CC(=O)Cc1ccc(nc1)C 1458a_100000740413_200000210301 [1,1,0,0,0,0|1,0,0]=3 1634 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [1,1,0,0,0,0|2,0,0]=4 1635 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [1,1,0,0,0,0|2,0,0]=4 1636 B11R1.20 CC(=O)Cc1ccc(nc1)F 1458a_100000070787_100009820150 [1,1,0,0,0,0|2,0,0]=4 1637 B11R1.20 CC(=O)Cc1cnc(cn1)C 1458a_100000070787_100000752025 [1,1,0,0,0,0|2,0,0]=4 1638 B11R1.20 CC(=O)Cc1ncc(cn1)C 1458a_100000070787_100000685645 [1,1,0,0,0,0|2,0,0]=4 1639 B11R1.20 CC(=O)Cn1ccc(=O)cc1 1458a_200000238563_200000210301 [1,1,0,0,0,0|2,0,0]=4 1640 B11R1.20 CC(=O)Nc1ccc(cc1)Br 11a_100000210018_100015343762 [1,1,0,0,0,0|2,0,0]=4 1641 B11R1.20 CC(=O)Nc1ccc(cc1)Br 1626a_100000210018_100015343762 [1,1,0,0,0,0|2,0,0]=4 1642 B11R1.20 CC(=O)Nc1ccc(cc1)Br 22a_100000210018_100000070787 [1,1,0,0,0,0|2,0,0]=4 1643 B11R1.20 CC(=O)Nc1ccc(cc1)Br 527a_100000210018_100103153847 [1,1,0,0,0,0|2,0,0]=4 1644 B11R1.20 CC(=O)Nc1ccc(cc1)C 11a_100000124888_100015343762 [1,1,0,0,0,0|1,0,0]=3 1645 B11R1.20 CC(=O)Nc1ccc(cc1)C 1626a_100000124888_100015343762 [1,1,0,0,0,0|1,0,0]=3 1646 B11R1.20 CC(=O)Nc1ccc(cc1)C 22a_100000124888_100000070787 [1,1,0,0,0,0|1,0,0]=3 1647 B11R1.20 CC(=O)Nc1ccc(cc1)C 527a_100000124888_100103153847 [1,1,0,0,0,0|1,0,0]=3 1648 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [1,1,0,0,0,0|2,0,0]=4 1649 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [1,1,0,0,0,0|2,0,0]=4 1650 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [1,1,0,0,0,0|2,0,0]=4 1651 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [1,1,0,0,0,0|2,0,0]=4 1652 B11R1.20 CC(=O)Nc1ccc(cc1)F 11a_100000185862_100015343762 [1,1,0,0,0,0|2,0,0]=4 1653 B11R1.20 CC(=O)Nc1ccc(cc1)F 1626a_100000185862_100015343762 [1,1,0,0,0,0|2,0,0]=4 1654 B11R1.20 CC(=O)Nc1ccc(cc1)F 22a_100000185862_100000070787 [1,1,0,0,0,0|2,0,0]=4 1655 B11R1.20 CC(=O)Nc1ccc(cc1)F 527a_100000185862_100103153847 [1,1,0,0,0,0|2,0,0]=4 1656 B11R1.20 CC(=O)Nc1ccc(cc1)I 11a_100000185761_100015343762 [1,1,0,0,0,0|2,0,0]=4 1657 B11R1.20 CC(=O)Nc1ccc(cc1)I 1626a_100000185761_100015343762 [1,1,0,0,0,0|2,0,0]=4 1658 B11R1.20 CC(=O)Nc1ccc(cc1)I 22a_100000185761_100000070787 [1,1,0,0,0,0|2,0,0]=4 1659 B11R1.20 CC(=O)Nc1ccc(cc1)I 527a_100000185761_100103153847 [1,1,0,0,0,0|2,0,0]=4 1660 B11R1.20 CC(=O)Nc1ccc(cc1)O 22a_100000185829_100000070787 [1,1,0,0,0,0|2,0,0]=4 1661 B11R1.20 CC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000155215 [1,1,0,0,0,0|2,0,0]=4 1662 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [1,1,0,0,0,0|2,0,0]=4 1663 B11R1.20 CC(=O)Sc1ccc(cc1)O 271570a_203496583355_200009995050 [1,1,0,0,0,0|2,0,0]=4 1664 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,1,0,0,0,0|0,0,0]=2 1665 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100000744650_200000210301 [1,1,0,0,0,0|2,0,0]=4 1666 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000210814 [1,1,0,0,0,0|2,0,0]=4 1667 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100000744650_200000210301 [1,1,0,0,0,0|2,0,0]=4 1668 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000210814 [1,1,0,0,0,0|2,0,0]=4 1669 B11R1.20 Cc1ccc(cc1)CN(C)C 270004a_100102631434_100000211033 [1,1,0,0,0,0|2,0,0]=4 1670 B11R1.20 Cc1ccc(cc1)CN(C)C 34a_100000744650_200000210301 [1,1,0,0,0,0|2,0,0]=4 1671 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 2230a_100000744650_200025704644 [1,1,0,0,0,0|2,0,0]=4 1672 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 269982a_100000744650_200025704644 [1,1,0,0,0,0|2,0,0]=4 1673 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 34a_100000744650_200025704644 [1,1,0,0,0,0|2,0,0]=4 1674 B11R1.20 Cc1ccc(cn1)CC(=O)[13CH3] 1458a_100000740413_200025704644 [1,1,0,0,0,0|1,0,0]=3 1675 B11R1.20 Cc1ccc(nc1)CC(=O)[13CH3] 1458a_100025705728_200025704644 [1,1,0,0,0,0|1,0,0]=3 1676 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,1,0,0,0,0|1,0,0]=3 1677 B11R1.20 NC(=O)Cc1ccc(cn1)O 271570a_203496583355_200010888337 [1,1,0,0,0,0|2,0,0]=4 1678 B11R1.20 NC(=O)Cc1ccc(nc1)O 271570a_203496583355_200000071513 [1,1,0,0,0,0|2,0,0]=4 1679 B11R1.20 NC(=O)Nc1ccc(cc1)O 271570a_203496583355_100000198584 [1,1,0,0,0,0|2,0,0]=4 1680 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [1,1,0,0,0,0|1,0,0]=3 1681 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,1,0,0,0,0|1,0,0]=3 1682 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [1,1,0,0,0,0|1,0,0]=3 1683 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [1,1,0,0,0,0|1,0,0]=3 1684 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,1,0,0,0,0|1,0,0]=3 1685 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Br 1458a_100020629044_200025704644 [1,1,0,0,0,0|2,0,0]=4 1686 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [1,1,0,0,0,0|2,0,0]=4 1687 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Br 1458a_100010067268_200025704644 [1,1,0,0,0,0|2,0,0]=4 1688 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [1,1,0,0,0,0|2,0,0]=4 1689 B11R1.20 [13CH3]C(=O)Cn1ccc(=O)cc1 1458a_200000238563_200025704644 [1,1,0,0,0,0|2,0,0]=4 1690 B11R1.81 CC=Cc1ccc(cc1Br)C 271570a_100016259895_100009813563 [1,1,0,0,0,0|1,0,1]=4 1691 B11R1.81 CC=Cc1ccc(cc1C)C 271570a_100016259895_100011217332 [1,1,0,0,0,0|1,0,1]=4 1692 B11R1.81 CC=Cc1ccc(cc1Cl)C 271570a_100016259895_100011263221 [1,1,0,0,0,0|1,0,1]=4 1693 B11R1.81 CC=Cc1ccc(cc1F)C 271570a_100016259895_100011216119 [1,1,0,0,0,0|1,0,1]=4 1694 B11R1.81 CC=Cc1ccc(cc1N)C 271570a_100016259895_100011216686 [1,1,0,0,0,0|1,0,1]=4 1695 B11R1.81 CC=Cc1ccc(cc1O)C 271570a_100016259895_100012002257 [1,1,0,0,0,0|1,0,1]=4 1696 B11R1.81 CNCc1ccc(cc1Br)C 207a_100102657272_100000692596 [1,1,0,0,0,0|2,0,0]=4 1697 B11R1.81 CNCc1ccc(cc1Br)C 26a_100102657272_100000210800 [1,1,0,0,0,0|2,0,0]=4 1698 B11R1.81 CNCc1ccc(cc1Br)C 270004a_106832991635_100000692596 [1,1,0,0,0,0|2,0,0]=4 1699 B11R1.81 CNCc1ccc(cc1C)C 207a_100102657272_100000211342 [1,1,0,0,0,0|2,0,0]=4 1700 B11R1.81 CNCc1ccc(cc1C)C 2230a_106832991635_100011219618 [1,1,0,0,0,0|2,0,0]=4 1701 B11R1.81 CNCc1ccc(cc1C)C 270004a_106832991635_100000211342 [1,1,0,0,0,0|2,0,0]=4 1702 B11R1.81 CNCc1ccc(cc1C)C 34a_100000737523_200000210301 [1,1,0,0,0,0|2,0,0]=4 1703 B11R1.81 CNCc1ccc(cc1C)C 34a_100102657272_100011219618 [1,1,0,0,0,0|2,0,0]=4 1704 B11R1.81 CNCc1ccc(cc1C)C 7a_106832991635_100011219618 [1,1,0,0,0,0|2,0,0]=4 1705 B11R1.81 CNCc1ccc(cc1Cl)C 207a_100102657272_100011935181 [1,1,0,0,0,0|2,0,0]=4 1706 B11R1.81 CNCc1ccc(cc1Cl)C 2230a_106832991635_100012349684 [1,1,0,0,0,0|2,0,0]=4 1707 B11R1.81 CNCc1ccc(cc1Cl)C 26a_100102657272_100000749699 [1,1,0,0,0,0|2,0,0]=4 1708 B11R1.81 CNCc1ccc(cc1Cl)C 270004a_106832991635_100011935181 [1,1,0,0,0,0|2,0,0]=4 1709 B11R1.81 CNCc1ccc(cc1Cl)C 34a_100011997539_200000210301 [1,1,0,0,0,0|2,0,0]=4 1710 B11R1.81 CNCc1ccc(cc1Cl)C 34a_100102657272_100012349684 [1,1,0,0,0,0|2,0,0]=4 1711 B11R1.81 CNCc1ccc(cc1Cl)C 7a_106832991635_100012349684 [1,1,0,0,0,0|2,0,0]=4 1712 B11R1.81 CNCc1ccc(cc1F)C 207a_100102657272_100011217368 [1,1,0,0,0,0|2,0,0]=4 1713 B11R1.81 CNCc1ccc(cc1F)C 2230a_106832991635_100011217900 [1,1,0,0,0,0|2,0,0]=4 1714 B11R1.81 CNCc1ccc(cc1F)C 270004a_106832991635_100011217368 [1,1,0,0,0,0|2,0,0]=4 1715 B11R1.81 CNCc1ccc(cc1F)C 34a_100102657272_100012002367 [1,1,0,0,0,0|2,0,0]=4 1716 B11R1.81 CNCc1ccc(cc1F)C 34a_100102887089_200000210301 [1,1,0,0,0,0|2,0,0]=4 1717 B11R1.81 CNCc1ccc(cc1F)C 7a_106832991635_100012002367 [1,1,0,0,0,0|2,0,0]=4 1718 B11R1.81 CNCc1ccc(cc1I)C 207a_100102657272_100010150104 [1,1,0,0,0,0|2,0,0]=4 1719 B11R1.81 CNCc1ccc(cc1I)C 270004a_106832991635_100010150104 [1,1,0,0,0,0|2,0,0]=4 1720 B11R1.81 COCc1ccc(cc1C)C 34a_100011215341_200000210301 [1,1,0,0,0,0|2,0,0]=4 1721 B11R1.81 COCc1ccc(cc1C)C 34a_100138415774_100011219618 [1,1,0,0,0,0|2,0,0]=4 1722 B11R1.81 COCc1ccc(cc1C)C 7a_100011215341_200000210301 [1,1,0,0,0,0|2,0,0]=4 1723 B11R1.81 COCc1ccc(cc1Cl)C 34a_100000720314_200000210301 [1,1,0,0,0,0|2,0,0]=4 1724 B11R1.81 COCc1ccc(cc1Cl)C 34a_100138415774_100012349684 [1,1,0,0,0,0|2,0,0]=4 1725 B11R1.81 COCc1ccc(cc1Cl)C 7a_100000720314_200000210301 [1,1,0,0,0,0|2,0,0]=4 1726 B11R1.81 COCc1ccc(cc1F)C 34a_100011216587_200000210301 [1,1,0,0,0,0|2,0,0]=4 1727 B11R1.81 COCc1ccc(cc1F)C 34a_100138415774_100012002367 [1,1,0,0,0,0|2,0,0]=4 1728 B11R1.81 COCc1ccc(cc1F)C 7a_100011216587_200000210301 [1,1,0,0,0,0|2,0,0]=4 1729 B11R1.81 COCc1ccc(cc1N)C 34a_100000087799_200000210301 [1,1,0,0,0,0|2,0,0]=4 1730 B11R1.81 COCc1ccc(cc1N)C 7a_100000087799_200000210301 [1,1,0,0,0,0|2,0,0]=4 1731 B11R1.81 CSCc1ccc(cc1C)C 62a_100011219618_200000210301 [1,1,0,0,0,0|2,0,0]=4 1732 B11R1.81 CSCc1ccc(cc1C)C 62a_200000210301_100011219618 [1,1,0,0,0,0|2,0,0]=4 1733 B11R1.81 CSCc1ccc(cc1Cl)C 62a_100012349684_200000210301 [1,1,0,0,0,0|2,0,0]=4 1734 B11R1.81 CSCc1ccc(cc1Cl)C 62a_200000210301_100012349684 [1,1,0,0,0,0|2,0,0]=4 1735 B11R1.81 CSCc1ccc(cc1F)C 62a_100011217900_200000210301 [1,1,0,0,0,0|2,0,0]=4 1736 B11R1.81 CSCc1ccc(cc1F)C 62a_200000210301_100011217900 [1,1,0,0,0,0|2,0,0]=4 1737 B11R1.81 Cc1ccc(c(c1)C)CN[13CH3] 34a_100000737523_200025704644 [1,1,0,0,0,0|2,0,0]=4 1738 B11R1.81 Cc1ccc(c(c1)C)CO[13CH3] 34a_100011215341_200025704644 [1,1,0,0,0,0|2,0,0]=4 1739 B11R1.81 Cc1ccc(c(c1)C)CO[13CH3] 7a_100011215341_200025704644 [1,1,0,0,0,0|2,0,0]=4 1740 B11R1.81 Cc1ccc(c(c1)C)CS[13CH3] 62a_100011219618_200025704644 [1,1,0,0,0,0|2,0,0]=4 1741 B11R1.81 Cc1ccc(c(c1)C)CS[13CH3] 62a_200025704644_100011219618 [1,1,0,0,0,0|2,0,0]=4 1742 B11R1.81 Cc1ccc(c(c1)Cl)CN[13CH3] 34a_100011997539_200025704644 [1,1,0,0,0,0|2,0,0]=4 1743 B11R1.81 Cc1ccc(c(c1)Cl)CO[13CH3] 34a_100000720314_200025704644 [1,1,0,0,0,0|2,0,0]=4 1744 B11R1.81 Cc1ccc(c(c1)Cl)CO[13CH3] 7a_100000720314_200025704644 [1,1,0,0,0,0|2,0,0]=4 1745 B11R1.81 Cc1ccc(c(c1)Cl)CS[13CH3] 62a_100012349684_200025704644 [1,1,0,0,0,0|2,0,0]=4 1746 B11R1.81 Cc1ccc(c(c1)Cl)CS[13CH3] 62a_200025704644_100012349684 [1,1,0,0,0,0|2,0,0]=4 1747 B11R1.81 Cc1ccc(c(c1)F)CN[13CH3] 34a_100102887089_200025704644 [1,1,0,0,0,0|2,0,0]=4 1748 B11R1.81 Cc1ccc(c(c1)F)CO[13CH3] 34a_100011216587_200025704644 [1,1,0,0,0,0|2,0,0]=4 1749 B11R1.81 Cc1ccc(c(c1)F)CO[13CH3] 7a_100011216587_200025704644 [1,1,0,0,0,0|2,0,0]=4 1750 B11R1.81 Cc1ccc(c(c1)F)CS[13CH3] 62a_100011217900_200025704644 [1,1,0,0,0,0|2,0,0]=4 1751 B11R1.81 Cc1ccc(c(c1)F)CS[13CH3] 62a_200025704644_100011217900 [1,1,0,0,0,0|2,0,0]=4 1752 B11R1.81 Cc1ccc(c(c1)N)CO[13CH3] 34a_100000087799_200025704644 [1,1,0,0,0,0|2,0,0]=4 1753 B11R1.81 Cc1ccc(c(c1)N)CO[13CH3] 7a_100000087799_200025704644 [1,1,0,0,0,0|2,0,0]=4 1754 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_100016259036_200000210301 [1,1,0,0,0,0|1,0,1]=4 1755 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_200000210301_100016259036 [1,1,0,0,0,0|1,0,1]=4 1756 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_100016259036_200025704644 [1,1,0,0,0,0|1,0,1]=4 1757 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_100016259036 [1,1,0,0,0,0|1,0,1]=4 1758 B11R1.83 C=CCc1ccc(cc1)OC 34a_100000078792_200000210301 [1,1,0,0,0,0|1,0,0]=3 1759 B11R1.83 C=CCc1ccc(cc1)OC 7a_100000078792_200000210301 [1,1,0,0,0,0|1,0,0]=3 1760 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 34a_100000078792_200025704644 [1,1,0,0,0,0|1,0,0]=3 1761 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 7a_100000078792_200025704644 [1,1,0,0,0,0|1,0,0]=3 1762 B11R1.83 C=COc1ccc(cc1)SC 62a_100000704263_200000210301 [1,1,0,0,0,0|2,0,0]=4 1763 B11R1.83 C=COc1ccc(cc1)SC 62a_200000210301_100000704263 [1,1,0,0,0,0|2,0,0]=4 1764 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_100000704263_200025704644 [1,1,0,0,0,0|2,0,0]=4 1765 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_200025704644_100000704263 [1,1,0,0,0,0|2,0,0]=4 1766 B11R1.83 C=Cc1ccc(cc1)CC=O 271570a_100011290941_100011361690 [1,1,0,0,0,0|0,0,1]=3 1767 B11R1.83 CC=Cc1ccc(cc1)CC 271570a_100016259895_100011215824 [1,1,0,0,0,0|1,0,1]=4 1768 B11R1.83 CC=Cc1ccc(cc1)CF 271570a_100016259895_100010268989 [1,1,0,0,0,0|1,0,1]=4 1769 B11R1.83 CC=Cc1ccc(cc1)CN 271570a_100016259895_100016989417 [1,1,0,0,0,0|1,0,1]=4 1770 B11R1.83 CC=Cc1ccc(cc1)CO 271570a_100016259895_100000690907 [1,1,0,0,0,0|1,0,1]=4 1771 B11R1.83 CC=Cc1ccc(cc1)NC 271570a_100016259895_100000219623 [1,1,0,0,0,0|1,0,1]=4 1772 B11R1.83 CC=Cc1ccc(cc1)OC 271570a_100016259895_100000171711 [1,1,0,0,0,0|1,0,1]=4 1773 B11R1.83 CC=Cc1ccc(cc1)SC 271570a_100016259895_100011263217 [1,1,0,0,0,0|1,0,1]=4 1774 B11R1.83 CCCc1ccc(cc1)NC 2230a_100000211780_200000210301 [1,1,0,0,0,0|1,0,1]=4 1775 B11R1.83 CCCc1ccc(cc1)NC 34a_100000211780_200000210301 [1,1,0,0,0,0|1,0,1]=4 1776 B11R1.83 CCCc1ccc(cc1)N[13CH3] 2230a_100000211780_200025704644 [1,1,0,0,0,0|1,0,1]=4 1777 B11R1.83 CCCc1ccc(cc1)N[13CH3] 34a_100000211780_200025704644 [1,1,0,0,0,0|1,0,1]=4 1778 B11R1.83 CCCc1ccc(cc1)OC 34a_100000749406_200000210301 [1,1,0,0,0,0|1,0,1]=4 1779 B11R1.83 CCCc1ccc(cc1)OC 7a_100000749406_200000210301 [1,1,0,0,0,0|1,0,1]=4 1780 B11R1.83 CCCc1ccc(cc1)O[13CH3] 34a_100000749406_200025704644 [1,1,0,0,0,0|1,0,1]=4 1781 B11R1.83 CCCc1ccc(cc1)O[13CH3] 7a_100000749406_200025704644 [1,1,0,0,0,0|1,0,1]=4 1782 B11R1.83 CCCc1ccc(cc1)SC 62a_100000750032_200000210301 [1,1,0,0,0,0|1,0,1]=4 1783 B11R1.83 CCCc1ccc(cc1)SC 62a_200000210301_100000750032 [1,1,0,0,0,0|1,0,1]=4 1784 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_100000750032_200025704644 [1,1,0,0,0,0|1,0,1]=4 1785 B11R1.83 CCCc1ccc(cc1)S[13CH3] 62a_200025704644_100000750032 [1,1,0,0,0,0|1,0,1]=4 1786 B11R1.83 CCc1ccc(cc1)CNC 207a_100102657272_100000211036 [1,1,0,0,0,0|2,0,0]=4 1787 B11R1.83 CCc1ccc(cc1)CNC 2230a_100000721222_200000210301 [1,1,0,0,0,0|2,0,0]=4 1788 B11R1.83 CCc1ccc(cc1)CNC 2230a_106832991635_100000747183 [1,1,0,0,0,0|2,0,0]=4 1789 B11R1.83 CCc1ccc(cc1)CNC 26a_100102657272_100000211359 [1,1,0,0,0,0|2,0,0]=4 1790 B11R1.83 CCc1ccc(cc1)CNC 270004a_106832991635_100000211036 [1,1,0,0,0,0|2,0,0]=4 1791 B11R1.83 CCc1ccc(cc1)CNC 34a_100000721222_200000210301 [1,1,0,0,0,0|2,0,0]=4 1792 B11R1.83 CCc1ccc(cc1)CNC 34a_100102657272_100000747183 [1,1,0,0,0,0|2,0,0]=4 1793 B11R1.83 CCc1ccc(cc1)CNC 7a_106832991635_100000747183 [1,1,0,0,0,0|2,0,0]=4 1794 B11R1.83 CCc1ccc(cc1)CN[13CH3] 2230a_100000721222_200025704644 [1,1,0,0,0,0|2,0,0]=4 1795 B11R1.83 CCc1ccc(cc1)CN[13CH3] 34a_100000721222_200025704644 [1,1,0,0,0,0|2,0,0]=4 1796 B11R1.83 CCc1ccc(cc1)COC 34a_100000702245_200000210301 [1,1,0,0,0,0|2,0,0]=4 1797 B11R1.83 CCc1ccc(cc1)COC 34a_100138415774_100000747183 [1,1,0,0,0,0|2,0,0]=4 1798 B11R1.83 CCc1ccc(cc1)COC 7a_100000702245_200000210301 [1,1,0,0,0,0|2,0,0]=4 1799 B11R1.83 CCc1ccc(cc1)CO[13CH3] 34a_100000702245_200025704644 [1,1,0,0,0,0|2,0,0]=4 1800 B11R1.83 CCc1ccc(cc1)CO[13CH3] 7a_100000702245_200025704644 [1,1,0,0,0,0|2,0,0]=4 1801 B11R1.83 CCc1ccc(cc1)CSC 62a_100000757233_200000210301 [1,1,0,0,0,0|2,0,0]=4 1802 B11R1.83 CCc1ccc(cc1)CSC 62a_200000210301_100000747183 [1,1,0,0,0,0|2,0,0]=4 1803 B11R1.83 CCc1ccc(cc1)CS[13CH3] 62a_100000757233_200025704644 [1,1,0,0,0,0|2,0,0]=4 1804 B11R1.83 CCc1ccc(cc1)CS[13CH3] 62a_200025704644_100000747183 [1,1,0,0,0,0|2,0,0]=4 1805 B11R1.83 CNCc1ccc(cc1)CO 207a_100102657272_100009832023 [1,1,0,0,0,0|2,0,0]=4 1806 B11R1.83 CNCc1ccc(cc1)CO 2230a_100015189231_200000210301 [1,1,0,0,0,0|2,0,0]=4 1807 B11R1.83 CNCc1ccc(cc1)CO 2230a_106832991635_100000067286 [1,1,0,0,0,0|2,0,0]=4 1808 B11R1.83 CNCc1ccc(cc1)CO 26a_100102657272_100000211755 [1,1,0,0,0,0|2,0,0]=4 1809 B11R1.83 CNCc1ccc(cc1)CO 270004a_106832991635_100009832023 [1,1,0,0,0,0|2,0,0]=4 1810 B11R1.83 CNCc1ccc(cc1)CO 34a_100015189231_200000210301 [1,1,0,0,0,0|2,0,0]=4 1811 B11R1.83 CNCc1ccc(cc1)CO 34a_100102657272_100000067286 [1,1,0,0,0,0|2,0,0]=4 1812 B11R1.83 CNCc1ccc(cc1)CO 7a_106832991635_100000067286 [1,1,0,0,0,0|2,0,0]=4 1813 B11R1.83 CNCc1ccc(cc1)OC 207a_100102657272_100000169835 [1,1,0,0,0,0|2,0,0]=4 1814 B11R1.83 CNCc1ccc(cc1)OC 2230a_106832991635_100000742318 [1,1,0,0,0,0|2,0,0]=4 1815 B11R1.83 CNCc1ccc(cc1)OC 26a_100102657272_100000210503 [1,1,0,0,0,0|2,0,0]=4 1816 B11R1.83 CNCc1ccc(cc1)OC 270004a_106832991635_100000169835 [1,1,0,0,0,0|2,0,0]=4 1817 B11R1.83 CNCc1ccc(cc1)OC 34a_100000185587_200000210301 [1,1,0,0,0,0|2,0,0]=4 1818 B11R1.83 CNCc1ccc(cc1)OC 34a_100000207500_200000210301 [1,1,0,0,0,0|2,0,0]=4 1819 B11R1.83 CNCc1ccc(cc1)OC 34a_100102657272_100000742318 [1,1,0,0,0,0|2,0,0]=4 1820 B11R1.83 CNCc1ccc(cc1)OC 7a_106832991635_100000742318 [1,1,0,0,0,0|2,0,0]=4 1821 B11R1.83 CNCc1ccc(cc1)O[13CH3] 34a_100000207500_200025704644 [1,1,0,0,0,0|2,0,0]=4 1822 B11R1.83 CNCc1ccc(cc1)SC 207a_100102657272_100000211154 [1,1,0,0,0,0|2,0,0]=4 1823 B11R1.83 CNCc1ccc(cc1)SC 2230a_100000174980_200000210301 [1,1,0,0,0,0|2,0,0]=4 1824 B11R1.83 CNCc1ccc(cc1)SC 2230a_106832991635_100000181263 [1,1,0,0,0,0|2,0,0]=4 1825 B11R1.83 CNCc1ccc(cc1)SC 26a_100102657272_100000211864 [1,1,0,0,0,0|2,0,0]=4 1826 B11R1.83 CNCc1ccc(cc1)SC 270004a_106832991635_100000211154 [1,1,0,0,0,0|2,0,0]=4 1827 B11R1.83 CNCc1ccc(cc1)SC 34a_100000174980_200000210301 [1,1,0,0,0,0|2,0,0]=4 1828 B11R1.83 CNCc1ccc(cc1)SC 34a_100102657272_100000181263 [1,1,0,0,0,0|2,0,0]=4 1829 B11R1.83 CNCc1ccc(cc1)SC 62a_100000180866_200000210301 [1,1,0,0,0,0|2,0,0]=4 1830 B11R1.83 CNCc1ccc(cc1)SC 62a_200000210301_100000180866 [1,1,0,0,0,0|2,0,0]=4 1831 B11R1.83 CNCc1ccc(cc1)SC 7a_106832991635_100000181263 [1,1,0,0,0,0|2,0,0]=4 1832 B11R1.83 CNCc1ccc(cc1)S[13CH3] 62a_100000180866_200025704644 [1,1,0,0,0,0|2,0,0]=4 1833 B11R1.83 CNCc1ccc(cc1)S[13CH3] 62a_200025704644_100000180866 [1,1,0,0,0,0|2,0,0]=4 1834 B11R1.83 CNc1ccc(cc1)CC#N 34a_100000198999_200000210301 [1,1,0,0,0,0|1,0,1]=4 1835 B11R1.83 CNc1ccc(cc1)CCO 2230a_100011204434_200000210301 [1,1,0,0,0,0|0,0,2]=4 1836 B11R1.83 CNc1ccc(cc1)CCO 34a_100011204434_200000210301 [1,1,0,0,0,0|0,0,2]=4 1837 B11R1.83 CNc1ccc(cc1)COC 34a_100000694113_200000210301 [1,1,0,0,0,0|2,0,0]=4 1838 B11R1.83 CNc1ccc(cc1)CSC 2230a_106726388226_200000210301 [1,1,0,0,0,0|2,0,0]=4 1839 B11R1.83 CNc1ccc(cc1)CSC 34a_106726388226_200000210301 [1,1,0,0,0,0|2,0,0]=4 1840 B11R1.83 CNc1ccc(cc1)CSC 7a_106726388226_200000210301 [1,1,0,0,0,0|2,0,0]=4 1841 B11R1.83 COCc1ccc(cc1)CBr 34a_100012353999_200000210301 [1,1,0,0,0,0|2,0,0]=4 1842 B11R1.83 COCc1ccc(cc1)CBr 7a_100012353999_200000210301 [1,1,0,0,0,0|2,0,0]=4 1843 B11R1.83 COCc1ccc(cc1)CCl 34a_100000067286_200000210301 [1,1,0,0,0,0|2,0,0]=4 1844 B11R1.83 COCc1ccc(cc1)CCl 7a_100000067286_200000210301 [1,1,0,0,0,0|2,0,0]=4 1845 B11R1.83 COCc1ccc(cc1)CN 34a_100015189231_200000210301 [1,1,0,0,0,0|2,0,0]=4 1846 B11R1.83 COCc1ccc(cc1)CO 34a_100138415774_100000067286 [1,1,0,0,0,0|2,0,0]=4 1847 B11R1.83 COCc1ccc(cc1)N[13CH3] 34a_100000694113_200025704644 [1,1,0,0,0,0|2,0,0]=4 1848 B11R1.83 COCc1ccc(cc1)OC 34a_100000173359_200000210301 [1,1,0,0,0,0|2,0,0]=4 1849 B11R1.83 COCc1ccc(cc1)OC 34a_100138415774_100000742318 [1,1,0,0,0,0|2,0,0]=4 1850 B11R1.83 COCc1ccc(cc1)OC 34a_200011995677_200000210301 [1,1,0,0,0,0|2,0,0]=4 1851 B11R1.83 COCc1ccc(cc1)OC 7a_200011995677_200000210301 [1,1,0,0,0,0|2,0,0]=4 1852 B11R1.83 COCc1ccc(cc1)O[13CH3] 34a_200011995677_200025704644 [1,1,0,0,0,0|2,0,0]=4 1853 B11R1.83 COCc1ccc(cc1)O[13CH3] 7a_200011995677_200025704644 [1,1,0,0,0,0|2,0,0]=4 1854 B11R1.83 COCc1ccc(cc1)SC 34a_100011215404_200000210301 [1,1,0,0,0,0|2,0,0]=4 1855 B11R1.83 COCc1ccc(cc1)SC 34a_100138415774_100000181263 [1,1,0,0,0,0|2,0,0]=4 1856 B11R1.83 COCc1ccc(cc1)SC 62a_100011493685_200000210301 [1,1,0,0,0,0|2,0,0]=4 1857 B11R1.83 COCc1ccc(cc1)SC 62a_200000210301_100011493685 [1,1,0,0,0,0|2,0,0]=4 1858 B11R1.83 COCc1ccc(cc1)SC 7a_100011215404_200000210301 [1,1,0,0,0,0|2,0,0]=4 1859 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_100011493685_200025704644 [1,1,0,0,0,0|2,0,0]=4 1860 B11R1.83 COCc1ccc(cc1)S[13CH3] 62a_200025704644_100011493685 [1,1,0,0,0,0|2,0,0]=4 1861 B11R1.83 COc1ccc(cc1)CC#N 34a_100000198970_200000210301 [1,1,0,0,0,0|1,0,1]=4 1862 B11R1.83 COc1ccc(cc1)CC#N 7a_100000198970_200000210301 [1,1,0,0,0,0|1,0,1]=4 1863 B11R1.83 COc1ccc(cc1)CCBr 34a_100009816426_200000210301 [1,1,0,0,0,0|1,0,1]=4 1864 B11R1.83 COc1ccc(cc1)CCBr 7a_100009816426_200000210301 [1,1,0,0,0,0|1,0,1]=4 1865 B11R1.83 COc1ccc(cc1)CCN 34a_100000743037_200000210301 [1,1,0,0,0,0|1,0,1]=4 1866 B11R1.83 COc1ccc(cc1)CCO 34a_100011215338_200000210301 [1,1,0,0,0,0|0,0,2]=4 1867 B11R1.83 COc1ccc(cc1)CCO 7a_100011215338_200000210301 [1,1,0,0,0,0|0,0,2]=4 1868 B11R1.83 COc1ccc(cc1)CN[13CH3] 34a_100000185587_200025704644 [1,1,0,0,0,0|2,0,0]=4 1869 B11R1.83 COc1ccc(cc1)CO[13CH3] 34a_100000173359_200025704644 [1,1,0,0,0,0|2,0,0]=4 1870 B11R1.83 COc1ccc(cc1)CSC 62a_200000210301_100000742318 [1,1,0,0,0,0|2,0,0]=4 1871 B11R1.83 COc1ccc(cc1)CS[13CH3] 62a_200025704644_100000742318 [1,1,0,0,0,0|2,0,0]=4 1872 B11R1.83 CSCc1ccc(cc1)CO 62a_100000067286_200000210301 [1,1,0,0,0,0|2,0,0]=4 1873 B11R1.83 CSCc1ccc(cc1)CO 62a_200000210301_100000067286 [1,1,0,0,0,0|2,0,0]=4 1874 B11R1.83 CSCc1ccc(cc1)N[13CH3] 2230a_106726388226_200025704644 [1,1,0,0,0,0|2,0,0]=4 1875 B11R1.83 CSCc1ccc(cc1)N[13CH3] 34a_106726388226_200025704644 [1,1,0,0,0,0|2,0,0]=4 1876 B11R1.83 CSCc1ccc(cc1)N[13CH3] 7a_106726388226_200025704644 [1,1,0,0,0,0|2,0,0]=4 1877 B11R1.83 CSCc1ccc(cc1)SC 62a_100000181263_200000210301 [1,1,0,0,0,0|2,0,0]=4 1878 B11R1.83 CSCc1ccc(cc1)SC 62a_200000210301_100000181263 [1,1,0,0,0,0|2,0,0]=4 1879 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200000210301_200016255901 [1,1,0,0,0,0|1,0,1]=4 1880 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200016255901_200000210301 [1,1,0,0,0,0|1,0,1]=4 1881 B11R1.83 CSc1ccc(cc1)CC#N 62a_100011217881_200000210301 [1,1,0,0,0,0|1,0,1]=4 1882 B11R1.83 CSc1ccc(cc1)CC#N 62a_200000210301_100011217881 [1,1,0,0,0,0|1,0,1]=4 1883 B11R1.83 CSc1ccc(cc1)CC=O 62a_100011361690_200000210301 [1,1,0,0,0,0|0,0,0]=2 1884 B11R1.83 CSc1ccc(cc1)CC=O 62a_200000210301_100011361690 [1,1,0,0,0,0|0,0,0]=2 1885 B11R1.83 CSc1ccc(cc1)CCN 62a_100000755846_200000210301 [1,1,0,0,0,0|1,0,1]=4 1886 B11R1.83 CSc1ccc(cc1)CCN 62a_200000210301_100000755846 [1,1,0,0,0,0|1,0,1]=4 1887 B11R1.83 CSc1ccc(cc1)CCO 62a_100000766406_200000210301 [1,1,0,0,0,0|0,0,2]=4 1888 B11R1.83 CSc1ccc(cc1)CCO 62a_200000210301_100000766406 [1,1,0,0,0,0|0,0,2]=4 1889 B11R1.83 CSc1ccc(cc1)CNN 62a_100016993955_200000210301 [1,1,0,0,0,0|2,0,0]=4 1890 B11R1.83 CSc1ccc(cc1)CNN 62a_200000210301_100016993955 [1,1,0,0,0,0|2,0,0]=4 1891 B11R1.83 CSc1ccc(cc1)CN[13CH3] 2230a_100000174980_200025704644 [1,1,0,0,0,0|2,0,0]=4 1892 B11R1.83 CSc1ccc(cc1)CN[13CH3] 34a_100000174980_200025704644 [1,1,0,0,0,0|2,0,0]=4 1893 B11R1.83 CSc1ccc(cc1)CO[13CH3] 34a_100011215404_200025704644 [1,1,0,0,0,0|2,0,0]=4 1894 B11R1.83 CSc1ccc(cc1)CO[13CH3] 7a_100011215404_200025704644 [1,1,0,0,0,0|2,0,0]=4 1895 B11R1.83 CSc1ccc(cc1)CS[13CH3] 62a_100000181263_200025704644 [1,1,0,0,0,0|2,0,0]=4 1896 B11R1.83 CSc1ccc(cc1)CS[13CH3] 62a_200025704644_100000181263 [1,1,0,0,0,0|2,0,0]=4 1897 B11R1.83 [13CH3]NCc1ccc(cc1)CO 2230a_100015189231_200025704644 [1,1,0,0,0,0|2,0,0]=4 1898 B11R1.83 [13CH3]NCc1ccc(cc1)CO 34a_100015189231_200025704644 [1,1,0,0,0,0|2,0,0]=4 1899 B11R1.83 [13CH3]Nc1ccc(cc1)CC#N 34a_100000198999_200025704644 [1,1,0,0,0,0|1,0,1]=4 1900 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 2230a_100011204434_200025704644 [1,1,0,0,0,0|0,0,2]=4 1901 B11R1.83 [13CH3]Nc1ccc(cc1)CCO 34a_100011204434_200025704644 [1,1,0,0,0,0|0,0,2]=4 1902 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 34a_100012353999_200025704644 [1,1,0,0,0,0|2,0,0]=4 1903 B11R1.83 [13CH3]OCc1ccc(cc1)CBr 7a_100012353999_200025704644 [1,1,0,0,0,0|2,0,0]=4 1904 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 34a_100000067286_200025704644 [1,1,0,0,0,0|2,0,0]=4 1905 B11R1.83 [13CH3]OCc1ccc(cc1)CCl 7a_100000067286_200025704644 [1,1,0,0,0,0|2,0,0]=4 1906 B11R1.83 [13CH3]OCc1ccc(cc1)CN 34a_100015189231_200025704644 [1,1,0,0,0,0|2,0,0]=4 1907 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 34a_100000198970_200025704644 [1,1,0,0,0,0|1,0,1]=4 1908 B11R1.83 [13CH3]Oc1ccc(cc1)CC#N 7a_100000198970_200025704644 [1,1,0,0,0,0|1,0,1]=4 1909 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 34a_100009816426_200025704644 [1,1,0,0,0,0|1,0,1]=4 1910 B11R1.83 [13CH3]Oc1ccc(cc1)CCBr 7a_100009816426_200025704644 [1,1,0,0,0,0|1,0,1]=4 1911 B11R1.83 [13CH3]Oc1ccc(cc1)CCN 34a_100000743037_200025704644 [1,1,0,0,0,0|1,0,1]=4 1912 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 34a_100011215338_200025704644 [1,1,0,0,0,0|0,0,2]=4 1913 B11R1.83 [13CH3]Oc1ccc(cc1)CCO 7a_100011215338_200025704644 [1,1,0,0,0,0|0,0,2]=4 1914 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_100000067286_200025704644 [1,1,0,0,0,0|2,0,0]=4 1915 B11R1.83 [13CH3]SCc1ccc(cc1)CO 62a_200025704644_100000067286 [1,1,0,0,0,0|2,0,0]=4 1916 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200016255901_200025704644 [1,1,0,0,0,0|1,0,1]=4 1917 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200025704644_200016255901 [1,1,0,0,0,0|1,0,1]=4 1918 B11R1.83 [13CH3]Sc1ccc(cc1)CC#N 62a_100011217881_200025704644 [1,1,0,0,0,0|1,0,1]=4 1919 B11R1.83 [13CH3]Sc1ccc(cc1)CC#N 62a_200025704644_100011217881 [1,1,0,0,0,0|1,0,1]=4 1920 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_100011361690_200025704644 [1,1,0,0,0,0|0,0,0]=2 1921 B11R1.83 [13CH3]Sc1ccc(cc1)CC=O 62a_200025704644_100011361690 [1,1,0,0,0,0|0,0,0]=2 1922 B11R1.83 [13CH3]Sc1ccc(cc1)CCN 62a_100000755846_200025704644 [1,1,0,0,0,0|1,0,1]=4 1923 B11R1.83 [13CH3]Sc1ccc(cc1)CCN 62a_200025704644_100000755846 [1,1,0,0,0,0|1,0,1]=4 1924 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_100000766406_200025704644 [1,1,0,0,0,0|0,0,2]=4 1925 B11R1.83 [13CH3]Sc1ccc(cc1)CCO 62a_200025704644_100000766406 [1,1,0,0,0,0|0,0,2]=4 1926 B11R1.83 [13CH3]Sc1ccc(cc1)CNN 62a_100016993955_200025704644 [1,1,0,0,0,0|2,0,0]=4 1927 B11R1.83 [13CH3]Sc1ccc(cc1)CNN 62a_200025704644_100016993955 [1,1,0,0,0,0|2,0,0]=4 1928 B11R1.192 CC=Cc1ccc(c(c1)Br)C 271570a_100016259895_100011847877 [1,1,0,0,0,0|1,0,1]=4 1929 B11R1.192 CC=Cc1ccc(c(c1)C)C 271570a_100016259895_100011215607 [1,1,0,0,0,0|1,0,1]=4 1930 B11R1.192 CC=Cc1ccc(c(c1)Cl)C 271570a_100016259895_100011216363 [1,1,0,0,0,0|1,0,1]=4 1931 B11R1.192 CC=Cc1ccc(c(c1)F)C 271570a_100016259895_100000720648 [1,1,0,0,0,0|1,0,1]=4 1932 B11R1.192 CC=Cc1ccc(c(c1)N)C 271570a_100016259895_100000761890 [1,1,0,0,0,0|1,0,1]=4 1933 B11R1.192 CC=Cc1ccc(c(c1)O)C 271570a_100016259895_100000766334 [1,1,0,0,0,0|1,0,1]=4 1934 B11R1.192 CNCc1ccc(c(c1)Br)C 207a_100102657272_100000695567 [1,1,0,0,0,0|2,0,0]=4 1935 B11R1.192 CNCc1ccc(c(c1)Br)C 2230a_106832991635_100012232412 [1,1,0,0,0,0|2,0,0]=4 1936 B11R1.192 CNCc1ccc(c(c1)Br)C 26a_100102657272_100011380479 [1,1,0,0,0,0|2,0,0]=4 1937 B11R1.192 CNCc1ccc(c(c1)Br)C 270004a_106832991635_100000695567 [1,1,0,0,0,0|2,0,0]=4 1938 B11R1.192 CNCc1ccc(c(c1)Br)C 34a_100102657272_100012232412 [1,1,0,0,0,0|2,0,0]=4 1939 B11R1.192 CNCc1ccc(c(c1)Br)C 7a_106832991635_100012232412 [1,1,0,0,0,0|2,0,0]=4 1940 B11R1.192 CNCc1ccc(c(c1)C)C 207a_100102657272_100000229942 [1,1,0,0,0,0|2,0,0]=4 1941 B11R1.192 CNCc1ccc(c(c1)C)C 2230a_100025706692_200000210301 [1,1,0,0,0,0|2,0,0]=4 1942 B11R1.192 CNCc1ccc(c(c1)C)C 2230a_106832991635_100000742320 [1,1,0,0,0,0|2,0,0]=4 1943 B11R1.192 CNCc1ccc(c(c1)C)C 270004a_106832991635_100000229942 [1,1,0,0,0,0|2,0,0]=4 1944 B11R1.192 CNCc1ccc(c(c1)C)C 34a_100025706692_200000210301 [1,1,0,0,0,0|2,0,0]=4 1945 B11R1.192 CNCc1ccc(c(c1)C)C 34a_100102657272_100000742320 [1,1,0,0,0,0|2,0,0]=4 1946 B11R1.192 CNCc1ccc(c(c1)C)C 7a_106832991635_100000742320 [1,1,0,0,0,0|2,0,0]=4 1947 B11R1.192 CNCc1ccc(c(c1)Cl)C 207a_100102657272_100000760539 [1,1,0,0,0,0|2,0,0]=4 1948 B11R1.192 CNCc1ccc(c(c1)Cl)C 2230a_102495364989_200000210301 [1,1,0,0,0,0|2,0,0]=4 1949 B11R1.192 CNCc1ccc(c(c1)Cl)C 2230a_106832991635_100011823929 [1,1,0,0,0,0|2,0,0]=4 1950 B11R1.192 CNCc1ccc(c(c1)Cl)C 26a_100102657272_100011265682 [1,1,0,0,0,0|2,0,0]=4 1951 B11R1.192 CNCc1ccc(c(c1)Cl)C 270004a_106832991635_100000760539 [1,1,0,0,0,0|2,0,0]=4 1952 B11R1.192 CNCc1ccc(c(c1)Cl)C 34a_100102657272_100011823929 [1,1,0,0,0,0|2,0,0]=4 1953 B11R1.192 CNCc1ccc(c(c1)Cl)C 34a_102495364989_200000210301 [1,1,0,0,0,0|2,0,0]=4 1954 B11R1.192 CNCc1ccc(c(c1)Cl)C 7a_106832991635_100011823929 [1,1,0,0,0,0|2,0,0]=4 1955 B11R1.192 CNCc1ccc(c(c1)F)C 207a_100102657272_100000753222 [1,1,0,0,0,0|2,0,0]=4 1956 B11R1.192 CNCc1ccc(c(c1)F)C 2230a_100102708794_200000210301 [1,1,0,0,0,0|2,0,0]=4 1957 B11R1.192 CNCc1ccc(c(c1)F)C 2230a_106832991635_100011217369 [1,1,0,0,0,0|2,0,0]=4 1958 B11R1.192 CNCc1ccc(c(c1)F)C 270004a_106832991635_100000753222 [1,1,0,0,0,0|2,0,0]=4 1959 B11R1.192 CNCc1ccc(c(c1)F)C 34a_100102657272_100011217369 [1,1,0,0,0,0|2,0,0]=4 1960 B11R1.192 CNCc1ccc(c(c1)F)C 34a_100102708794_200000210301 [1,1,0,0,0,0|2,0,0]=4 1961 B11R1.192 CNCc1ccc(c(c1)F)C 7a_106832991635_100011217369 [1,1,0,0,0,0|2,0,0]=4 1962 B11R1.192 CNCc1ccc(c(c1)I)C 207a_100102657272_100010197721 [1,1,0,0,0,0|2,0,0]=4 1963 B11R1.192 CNCc1ccc(c(c1)I)C 2230a_106832991635_100010206137 [1,1,0,0,0,0|2,0,0]=4 1964 B11R1.192 CNCc1ccc(c(c1)I)C 270004a_106832991635_100010197721 [1,1,0,0,0,0|2,0,0]=4 1965 B11R1.192 CNCc1ccc(c(c1)I)C 34a_100102657272_100010206137 [1,1,0,0,0,0|2,0,0]=4 1966 B11R1.192 CNCc1ccc(c(c1)I)C 7a_106832991635_100010206137 [1,1,0,0,0,0|2,0,0]=4 1967 B11R1.192 COCc1ccc(c(c1)Br)C 34a_100000708995_200000210301 [1,1,0,0,0,0|2,0,0]=4 1968 B11R1.192 COCc1ccc(c(c1)Br)C 34a_100138415774_100012232412 [1,1,0,0,0,0|2,0,0]=4 1969 B11R1.192 COCc1ccc(c(c1)Br)C 7a_100000708995_200000210301 [1,1,0,0,0,0|2,0,0]=4 1970 B11R1.192 COCc1ccc(c(c1)C)C 34a_100011215342_200000210301 [1,1,0,0,0,0|2,0,0]=4 1971 B11R1.192 COCc1ccc(c(c1)C)C 34a_100138415774_100000742320 [1,1,0,0,0,0|2,0,0]=4 1972 B11R1.192 COCc1ccc(c(c1)C)C 7a_100011215342_200000210301 [1,1,0,0,0,0|2,0,0]=4 1973 B11R1.192 COCc1ccc(c(c1)Cl)C 34a_100011290783_200000210301 [1,1,0,0,0,0|2,0,0]=4 1974 B11R1.192 COCc1ccc(c(c1)Cl)C 34a_100138415774_100011823929 [1,1,0,0,0,0|2,0,0]=4 1975 B11R1.192 COCc1ccc(c(c1)Cl)C 7a_100011290783_200000210301 [1,1,0,0,0,0|2,0,0]=4 1976 B11R1.192 COCc1ccc(c(c1)F)C 34a_100000702247_200000210301 [1,1,0,0,0,0|2,0,0]=4 1977 B11R1.192 COCc1ccc(c(c1)F)C 34a_100138415774_100011217369 [1,1,0,0,0,0|2,0,0]=4 1978 B11R1.192 COCc1ccc(c(c1)F)C 7a_100000702247_200000210301 [1,1,0,0,0,0|2,0,0]=4 1979 B11R1.192 COCc1ccc(c(c1)I)C 34a_100000050133_200000210301 [1,1,0,0,0,0|2,0,0]=4 1980 B11R1.192 COCc1ccc(c(c1)I)C 34a_100138415774_100010206137 [1,1,0,0,0,0|2,0,0]=4 1981 B11R1.192 COCc1ccc(c(c1)I)C 7a_100000050133_200000210301 [1,1,0,0,0,0|2,0,0]=4 1982 B11R1.192 COCc1ccc(c(c1)N)C 34a_100000758420_200000210301 [1,1,0,0,0,0|2,0,0]=4 1983 B11R1.192 COCc1ccc(c(c1)O)C 271570a_203496583355_200015395492 [1,1,0,0,0,0|2,0,0]=4 1984 B11R1.192 CSCc1ccc(c(c1)Br)C 62a_100012232412_200000210301 [1,1,0,0,0,0|2,0,0]=4 1985 B11R1.192 CSCc1ccc(c(c1)Br)C 62a_200000210301_100012232412 [1,1,0,0,0,0|2,0,0]=4 1986 B11R1.192 CSCc1ccc(c(c1)C)C 62a_100000742320_200000210301 [1,1,0,0,0,0|2,0,0]=4 1987 B11R1.192 CSCc1ccc(c(c1)C)C 62a_200000210301_100000742320 [1,1,0,0,0,0|2,0,0]=4 1988 B11R1.192 CSCc1ccc(c(c1)Cl)C 62a_100011823929_200000210301 [1,1,0,0,0,0|2,0,0]=4 1989 B11R1.192 CSCc1ccc(c(c1)Cl)C 62a_200000210301_100011823929 [1,1,0,0,0,0|2,0,0]=4 1990 B11R1.192 CSCc1ccc(c(c1)F)C 62a_100011217369_200000210301 [1,1,0,0,0,0|2,0,0]=4 1991 B11R1.192 CSCc1ccc(c(c1)F)C 62a_200000210301_100011217369 [1,1,0,0,0,0|2,0,0]=4 1992 B11R1.192 CSCc1ccc(c(c1)I)C 62a_100010206137_200000210301 [1,1,0,0,0,0|2,0,0]=4 1993 B11R1.192 CSCc1ccc(c(c1)I)C 62a_200000210301_100010206137 [1,1,0,0,0,0|2,0,0]=4 1994 B11R1.192 Cc1ccc(cc1Br)CO[13CH3] 34a_100000708995_200025704644 [1,1,0,0,0,0|2,0,0]=4 1995 B11R1.192 Cc1ccc(cc1Br)CO[13CH3] 7a_100000708995_200025704644 [1,1,0,0,0,0|2,0,0]=4 1996 B11R1.192 Cc1ccc(cc1Br)CS[13CH3] 62a_100012232412_200025704644 [1,1,0,0,0,0|2,0,0]=4 1997 B11R1.192 Cc1ccc(cc1Br)CS[13CH3] 62a_200025704644_100012232412 [1,1,0,0,0,0|2,0,0]=4 1998 B11R1.192 Cc1ccc(cc1C)CN[13CH3] 2230a_100025706692_200025704644 [1,1,0,0,0,0|2,0,0]=4 1999 B11R1.192 Cc1ccc(cc1C)CN[13CH3] 34a_100025706692_200025704644 [1,1,0,0,0,0|2,0,0]=4 2000 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 34a_100011215342_200025704644 [1,1,0,0,0,0|2,0,0]=4 2001 B11R1.192 Cc1ccc(cc1C)CO[13CH3] 7a_100011215342_200025704644 [1,1,0,0,0,0|2,0,0]=4 2002 B11R1.192 Cc1ccc(cc1C)CS[13CH3] 62a_100000742320_200025704644 [1,1,0,0,0,0|2,0,0]=4 2003 B11R1.192 Cc1ccc(cc1C)CS[13CH3] 62a_200025704644_100000742320 [1,1,0,0,0,0|2,0,0]=4 2004 B11R1.192 Cc1ccc(cc1Cl)CN[13CH3] 2230a_102495364989_200025704644 [1,1,0,0,0,0|2,0,0]=4 2005 B11R1.192 Cc1ccc(cc1Cl)CN[13CH3] 34a_102495364989_200025704644 [1,1,0,0,0,0|2,0,0]=4 2006 B11R1.192 Cc1ccc(cc1Cl)CO[13CH3] 34a_100011290783_200025704644 [1,1,0,0,0,0|2,0,0]=4 2007 B11R1.192 Cc1ccc(cc1Cl)CO[13CH3] 7a_100011290783_200025704644 [1,1,0,0,0,0|2,0,0]=4 2008 B11R1.192 Cc1ccc(cc1Cl)CS[13CH3] 62a_100011823929_200025704644 [1,1,0,0,0,0|2,0,0]=4 2009 B11R1.192 Cc1ccc(cc1Cl)CS[13CH3] 62a_200025704644_100011823929 [1,1,0,0,0,0|2,0,0]=4 2010 B11R1.192 Cc1ccc(cc1F)CN[13CH3] 2230a_100102708794_200025704644 [1,1,0,0,0,0|2,0,0]=4 2011 B11R1.192 Cc1ccc(cc1F)CN[13CH3] 34a_100102708794_200025704644 [1,1,0,0,0,0|2,0,0]=4 2012 B11R1.192 Cc1ccc(cc1F)CO[13CH3] 34a_100000702247_200025704644 [1,1,0,0,0,0|2,0,0]=4 2013 B11R1.192 Cc1ccc(cc1F)CO[13CH3] 7a_100000702247_200025704644 [1,1,0,0,0,0|2,0,0]=4 2014 B11R1.192 Cc1ccc(cc1F)CS[13CH3] 62a_100011217369_200025704644 [1,1,0,0,0,0|2,0,0]=4 2015 B11R1.192 Cc1ccc(cc1F)CS[13CH3] 62a_200025704644_100011217369 [1,1,0,0,0,0|2,0,0]=4 2016 B11R1.192 Cc1ccc(cc1I)CO[13CH3] 34a_100000050133_200025704644 [1,1,0,0,0,0|2,0,0]=4 2017 B11R1.192 Cc1ccc(cc1I)CO[13CH3] 7a_100000050133_200025704644 [1,1,0,0,0,0|2,0,0]=4 2018 B11R1.192 Cc1ccc(cc1I)CS[13CH3] 62a_100010206137_200025704644 [1,1,0,0,0,0|2,0,0]=4 2019 B11R1.192 Cc1ccc(cc1I)CS[13CH3] 62a_200025704644_100010206137 [1,1,0,0,0,0|2,0,0]=4 2020 B11R1.192 Cc1ccc(cc1N)CO[13CH3] 34a_100000758420_200025704644 [1,1,0,0,0,0|2,0,0]=4 2021 B11R1.3 C#Cc1ccc(cc1)C(=O)C 1458a_100011217615_200000210301 [1,1,0,0,0,0|0,0,2]=4 2022 B11R1.3 C#Cc1ccc(cc1)C(=O)[13CH3] 1458a_100011217615_200025704644 [1,1,0,0,0,0|0,0,2]=4 2023 B11R1.3 C=C(C)c1ccc(cc1)C#N 271570a_100000694244_100000179745 [1,1,0,0,0,0|0,0,2]=4 2024 B11R1.3 C=C(C)c1ccc(cc1)C=O 271570a_100000694244_100000186029 [1,1,0,0,0,0|0,0,2]=4 2025 B11R1.3 C=C(C)c1ccc(cc1)CC 271570a_100000694244_100011215824 [1,1,0,0,0,0|0,0,1]=3 2026 B11R1.3 C=C(C)c1ccc(cc1)CF 271570a_100000694244_100010268989 [1,1,0,0,0,0|0,0,1]=3 2027 B11R1.3 C=C(C)c1ccc(cc1)CN 271570a_100000694244_100016989417 [1,1,0,0,0,0|0,0,1]=3 2028 B11R1.3 C=C(C)c1ccc(cc1)CO 271570a_100000694244_100000690907 [1,1,0,0,0,0|0,0,1]=3 2029 B11R1.3 C=C(C)c1ccc(cc1)NC 271570a_100000694244_100000219623 [1,1,0,0,0,0|0,0,1]=3 2030 B11R1.3 C=C(C)c1ccc(cc1)NN 271570a_100000694244_100016988836 [1,1,0,0,0,0|1,0,1]=4 2031 B11R1.3 C=C(C)c1ccc(cc1)OC 271570a_100000694244_100000171711 [1,1,0,0,0,0|0,0,1]=3 2032 B11R1.3 C=C(C)c1ccc(cc1)OC 34a_100009880102_200000210301 [1,1,0,0,0,0|0,0,1]=3 2033 B11R1.3 C=C(C)c1ccc(cc1)OC 7a_100009880102_200000210301 [1,1,0,0,0,0|0,0,1]=3 2034 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 34a_100009880102_200025704644 [1,1,0,0,0,0|0,0,1]=3 2035 B11R1.3 C=C(C)c1ccc(cc1)O[13CH3] 7a_100009880102_200025704644 [1,1,0,0,0,0|0,0,1]=3 2036 B11R1.3 C=C(C)c1ccc(cc1)SC 271570a_100000694244_100011263217 [1,1,0,0,0,0|0,0,1]=3 2037 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_100000185454_200000210301 [1,1,0,0,0,0|0,0,1]=3 2038 B11R1.3 C=C(C)c1ccc(cc1)SC 62a_200000210301_100000185454 [1,1,0,0,0,0|0,0,1]=3 2039 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_100000185454_200025704644 [1,1,0,0,0,0|0,0,1]=3 2040 B11R1.3 C=C(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185454 [1,1,0,0,0,0|0,0,1]=3 2041 B11R1.3 C=C(C)c1ccc(cn1)CC 271570a_100000694244_100009843584 [1,1,0,0,0,0|1,0,1]=4 2042 B11R1.3 C=C(C)c1ccc(cn1)CN 271570a_100000694244_100009817727 [1,1,0,0,0,0|1,0,1]=4 2043 B11R1.3 C=C(C)c1ccc(cn1)CO 271570a_100000694244_100009816760 [1,1,0,0,0,0|1,0,1]=4 2044 B11R1.3 C=C(C)c1ccc(cn1)NC 271570a_100000694244_100000764248 [1,1,0,0,0,0|1,0,1]=4 2045 B11R1.3 C=C(C)c1ccc(cn1)OC 271570a_100000694244_100000755202 [1,1,0,0,0,0|1,0,1]=4 2046 B11R1.3 C=C(C)c1ccc(cn1)SC 271570a_100000694244_100009820866 [1,1,0,0,0,0|1,0,1]=4 2047 B11R1.3 C=C(C)c1ccc(nc1)CC 271570a_100000694244_100009820025 [1,1,0,0,0,0|1,0,1]=4 2048 B11R1.3 C=C(C)c1ccc(nc1)CN 271570a_100000694244_100015188789 [1,1,0,0,0,0|1,0,1]=4 2049 B11R1.3 C=C(C)c1ccc(nc1)CO 271570a_100000694244_100000754261 [1,1,0,0,0,0|1,0,1]=4 2050 B11R1.3 C=C(C)c1ccc(nc1)NC 271570a_100000694244_100000741341 [1,1,0,0,0,0|1,0,1]=4 2051 B11R1.3 C=C(C)c1ccc(nc1)OC 271570a_100000694244_100000047065 [1,1,0,0,0,0|1,0,1]=4 2052 B11R1.3 C=C(C)c1ccc(nc1)SC 271570a_100000694244_100011408404 [1,1,0,0,0,0|1,0,1]=4 2053 B11R1.3 C=Cc1ccc(cc1)C(=C)C 271570a_100011290941_100000185454 [1,1,0,0,0,0|0,0,2]=4 2054 B11R1.3 C=Cc1ccc(cc1)C(=O)C 1458a_100000687532_200000210301 [1,1,0,0,0,0|0,0,2]=4 2055 B11R1.3 C=Cc1ccc(cc1)C(=O)C 271570a_100011290941_100000185465 [1,1,0,0,0,0|0,0,2]=4 2056 B11R1.3 C=Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000687532_200025704644 [1,1,0,0,0,0|0,0,2]=4 2057 B11R1.3 C=Cc1ccc(cc1)C(C)C 271570a_100011290941_100000750031 [1,1,0,0,0,0|0,0,2]=4 2058 B11R1.3 C=Cc1ccc(cc1)C(C)O 271570a_100011290941_100000745893 [1,1,0,0,0,0|0,0,2]=4 2059 B11R1.3 C=Cc1ccc(cc1)S(=O)C 271570a_100011290941_100009816266 [1,1,0,0,0,0|1,0,1]=4 2060 B11R1.3 C=Cc1ccc(cc1)[C@@H](C)N 271570a_100011290941_100000720352 [1,1,0,0,0,0|1,0,1]=4 2061 B11R1.3 C=Cc1ccc(cc1)[C@H](C)N 271570a_100011290941_100000753911 [1,1,0,0,0,0|1,0,1]=4 2062 B11R1.3 CC(=O)c1ccc(cc1)C#N 1458a_100000210717_200000210301 [1,1,0,0,0,0|0,0,2]=4 2063 B11R1.3 CC(=O)c1ccc(cc1)CO 1458a_100000183892_200000210301 [1,1,0,0,0,0|0,0,1]=3 2064 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 34a_100000185113_200025704644 [1,1,0,0,0,0|0,0,1]=3 2065 B11R1.3 CC(=O)c1ccc(cc1)O[13CH3] 7a_100000185113_200025704644 [1,1,0,0,0,0|0,0,1]=3 2066 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_100000185465_200025704644 [1,1,0,0,0,0|0,0,1]=3 2067 B11R1.3 CC(=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000185465 [1,1,0,0,0,0|0,0,1]=3 2068 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 34a_100012001710_200025704644 [1,1,0,0,0,0|1,0,1]=4 2069 B11R1.3 CC(=O)c1ccc(cn1)O[13CH3] 7a_100012001710_200025704644 [1,1,0,0,0,0|1,0,1]=4 2070 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_100000686046_200025704644 [1,1,0,0,0,0|1,0,1]=4 2071 B11R1.3 CC(=O)c1ccc(cn1)S[13CH3] 62a_200025704644_100000686046 [1,1,0,0,0,0|1,0,1]=4 2072 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_100000684857_200025704644 [1,1,0,0,0,0|1,0,1]=4 2073 B11R1.3 CC(=O)c1ccc(nc1)S[13CH3] 62a_200025704644_100000684857 [1,1,0,0,0,0|1,0,1]=4 2074 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 2230a_100000210773_200025704644 [1,1,0,0,0,0|0,0,1]=3 2075 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 34a_100000210773_200025704644 [1,1,0,0,0,0|0,0,1]=3 2076 B11R1.3 CC(C)c1ccc(cc1)N[13CH3] 7a_100000210773_200025704644 [1,1,0,0,0,0|0,0,1]=3 2077 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 34a_100000181308_200025704644 [1,1,0,0,0,0|0,0,1]=3 2078 B11R1.3 CC(C)c1ccc(cc1)O[13CH3] 7a_100000181308_200025704644 [1,1,0,0,0,0|0,0,1]=3 2079 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_100000750031_200025704644 [1,1,0,0,0,0|0,0,1]=3 2080 B11R1.3 CC(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000750031 [1,1,0,0,0,0|0,0,1]=3 2081 B11R1.3 CC(C)c1ccc(cn1)S[13CH3] 62a_100010255768_200025704644 [1,1,0,0,0,0|1,0,1]=4 2082 B11R1.3 CC(C)c1ccc(cn1)S[13CH3] 62a_200025704644_100010255768 [1,1,0,0,0,0|1,0,1]=4 2083 B11R1.3 CC(C)c1ccc(nc1)S[13CH3] 62a_200009815286_200025704644 [1,1,0,0,0,0|1,0,1]=4 2084 B11R1.3 CC(C)c1ccc(nc1)S[13CH3] 62a_200025704644_200009815286 [1,1,0,0,0,0|1,0,1]=4 2085 B11R1.3 CC(N)c1ccc(cn1)S[13CH3] 62a_100000723930_200025704644 [1,1,0,0,0,0|2,0,0]=4 2086 B11R1.3 CC(N)c1ccc(cn1)S[13CH3] 62a_200025704644_100000723930 [1,1,0,0,0,0|2,0,0]=4 2087 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 2230a_100011216399_200025704644 [1,1,0,0,0,0|0,0,1]=3 2088 B11R1.3 CC(O)c1ccc(cc1)N[13CH3] 34a_100011216399_200025704644 [1,1,0,0,0,0|0,0,1]=3 2089 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 34a_100000754508_200025704644 [1,1,0,0,0,0|0,0,1]=3 2090 B11R1.3 CC(O)c1ccc(cc1)O[13CH3] 7a_100000754508_200025704644 [1,1,0,0,0,0|0,0,1]=3 2091 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_100000745893_200025704644 [1,1,0,0,0,0|0,0,1]=3 2092 B11R1.3 CC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100000745893 [1,1,0,0,0,0|0,0,1]=3 2093 B11R1.3 CC(O)c1ccc(cn1)S[13CH3] 62a_100012353650_200025704644 [1,1,0,0,0,0|1,0,1]=4 2094 B11R1.3 CC(O)c1ccc(cn1)S[13CH3] 62a_200025704644_100012353650 [1,1,0,0,0,0|1,0,1]=4 2095 B11R1.3 CC(O)c1ccc(nc1)S[13CH3] 62a_200010274204_200025704644 [1,1,0,0,0,0|1,0,1]=4 2096 B11R1.3 CC(O)c1ccc(nc1)S[13CH3] 62a_200025704644_200010274204 [1,1,0,0,0,0|1,0,1]=4 2097 B11R1.3 CCc1ccc(cc1)C(=O)C 1458a_100000211226_200000210301 [1,1,0,0,0,0|0,0,1]=3 2098 B11R1.3 CCc1ccc(cc1)C(=O)[13CH3] 1458a_100000211226_200025704644 [1,1,0,0,0,0|0,0,1]=3 2099 B11R1.3 CN(C)c1ccc(cc1)N[13CH3] 34a_100016997997_200025704644 [1,1,0,0,0,0|1,0,1]=4 2100 B11R1.3 CN(C)c1ccc(cc1)O[13CH3] 34a_100000718910_200025704644 [1,1,0,0,0,0|1,0,1]=4 2101 B11R1.3 CN(C)c1ccc(cc1)S[13CH3] 62a_100000210421_200025704644 [1,1,0,0,0,0|1,0,1]=4 2102 B11R1.3 CN(C)c1ccc(cc1)S[13CH3] 62a_200025704644_100000210421 [1,1,0,0,0,0|1,0,1]=4 2103 B11R1.3 CNc1ccc(cc1)C(=O)N 27a_100102657272_100000162191 [1,1,0,0,0,0|1,0,1]=4 2104 B11R1.3 CNc1ccc(cc1)C(=O)N 34a_100000210537_200000210301 [1,1,0,0,0,0|1,0,1]=4 2105 B11R1.3 CNc1ccc(cc1)C(C)C 2230a_100000210773_200000210301 [1,1,0,0,0,0|0,0,1]=3 2106 B11R1.3 CNc1ccc(cc1)C(C)C 34a_100000210773_200000210301 [1,1,0,0,0,0|0,0,1]=3 2107 B11R1.3 CNc1ccc(cc1)C(C)C 7a_100000210773_200000210301 [1,1,0,0,0,0|0,0,1]=3 2108 B11R1.3 CNc1ccc(cc1)C(C)O 2230a_100011216399_200000210301 [1,1,0,0,0,0|0,0,1]=3 2109 B11R1.3 CNc1ccc(cc1)C(C)O 34a_100011216399_200000210301 [1,1,0,0,0,0|0,0,1]=3 2110 B11R1.3 CNc1ccc(cc1)C(F)F 34a_100020620101_200000210301 [1,1,0,0,0,0|2,0,0]=4 2111 B11R1.3 CNc1ccc(cc1)C(F)F 7a_100020620101_200000210301 [1,1,0,0,0,0|2,0,0]=4 2112 B11R1.3 CNc1ccc(cc1)N(C)C 34a_100016997997_200000210301 [1,1,0,0,0,0|1,0,1]=4 2113 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200000210301 [1,1,0,0,0,0|2,0,0]=4 2114 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200000210301 [1,1,0,0,0,0|2,0,0]=4 2115 B11R1.3 CNc1ccc(cn1)C(=O)C 27a_100102657272_100000690552 [1,1,0,0,0,0|1,0,1]=4 2116 B11R1.3 COc1ccc(cc1)C(=O)C 1458a_100000184203_200000210301 [1,1,0,0,0,0|0,0,1]=3 2117 B11R1.3 COc1ccc(cc1)C(=O)C 34a_100000185113_200000210301 [1,1,0,0,0,0|0,0,1]=3 2118 B11R1.3 COc1ccc(cc1)C(=O)C 7a_100000185113_200000210301 [1,1,0,0,0,0|0,0,1]=3 2119 B11R1.3 COc1ccc(cc1)C(=O)N 34a_100000746352_200000210301 [1,1,0,0,0,0|1,0,1]=4 2120 B11R1.3 COc1ccc(cc1)C(=O)N 7a_100000746352_200000210301 [1,1,0,0,0,0|1,0,1]=4 2121 B11R1.3 COc1ccc(cc1)C(=O)[13CH3] 1458a_100000184203_200025704644 [1,1,0,0,0,0|0,0,1]=3 2122 B11R1.3 COc1ccc(cc1)C(C)C 34a_100000181308_200000210301 [1,1,0,0,0,0|0,0,1]=3 2123 B11R1.3 COc1ccc(cc1)C(C)C 7a_100000181308_200000210301 [1,1,0,0,0,0|0,0,1]=3 2124 B11R1.3 COc1ccc(cc1)C(C)O 34a_100000754508_200000210301 [1,1,0,0,0,0|0,0,1]=3 2125 B11R1.3 COc1ccc(cc1)C(C)O 7a_100000754508_200000210301 [1,1,0,0,0,0|0,0,1]=3 2126 B11R1.3 COc1ccc(cc1)N(C)C 2230a_100000220023_200000210301 [1,1,0,0,0,0|1,0,1]=4 2127 B11R1.3 COc1ccc(cc1)N(C)C 269982a_100000220023_200000210301 [1,1,0,0,0,0|1,0,1]=4 2128 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000220023_200000210301 [1,1,0,0,0,0|1,0,1]=4 2129 B11R1.3 COc1ccc(cc1)N(C)C 34a_100000718910_200000210301 [1,1,0,0,0,0|1,0,1]=4 2130 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 2230a_100000220023_200025704644 [1,1,0,0,0,0|1,0,1]=4 2131 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 269982a_100000220023_200025704644 [1,1,0,0,0,0|1,0,1]=4 2132 B11R1.3 COc1ccc(cc1)N(C)[13CH3] 34a_100000220023_200025704644 [1,1,0,0,0,0|1,0,1]=4 2133 B11R1.3 COc1ccc(cc1)S(=O)C 34a_200000064373_200000210301 [1,1,0,0,0,0|1,0,0]=3 2134 B11R1.3 COc1ccc(cc1)S(=O)C 7a_200000064373_200000210301 [1,1,0,0,0,0|1,0,0]=3 2135 B11R1.3 COc1ccc(cc1)[C@H](C)N 34a_100161106496_200000210301 [1,1,0,0,0,0|1,0,0]=3 2136 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200000210301 [1,1,0,0,0,0|2,0,0]=4 2137 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200000210301 [1,1,0,0,0,0|2,0,0]=4 2138 B11R1.3 COc1ccc(cc1)[S+](C)C 34a_100010188728_200000210301 [1,1,0,0,0,0|1,0,1]=4 2139 B11R1.3 COc1ccc(cc1)[S+](C)C 7a_100010188728_200000210301 [1,1,0,0,0,0|1,0,1]=4 2140 B11R1.3 COc1ccc(nc1)C(=O)C 34a_100012001710_200000210301 [1,1,0,0,0,0|1,0,1]=4 2141 B11R1.3 COc1ccc(nc1)C(=O)C 7a_100012001710_200000210301 [1,1,0,0,0,0|1,0,1]=4 2142 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 34a_200000064373_200025704644 [1,1,0,0,0,0|1,0,0]=3 2143 B11R1.3 CS(=O)c1ccc(cc1)O[13CH3] 7a_200000064373_200025704644 [1,1,0,0,0,0|1,0,0]=3 2144 B11R1.3 CS(=O)c1ccc(cc1)S[13CH3] 62a_100009816266_200025704644 [1,1,0,0,0,0|1,0,0]=3 2145 B11R1.3 CSc1ccc(cc1)C(=O)C 1458a_100000189692_200000210301 [1,1,0,0,0,0|0,0,1]=3 2146 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_100000185465_200000210301 [1,1,0,0,0,0|0,0,1]=3 2147 B11R1.3 CSc1ccc(cc1)C(=O)C 62a_200000210301_100000185465 [1,1,0,0,0,0|0,0,1]=3 2148 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_100000162191_200000210301 [1,1,0,0,0,0|1,0,1]=4 2149 B11R1.3 CSc1ccc(cc1)C(=O)N 62a_200000210301_100000162191 [1,1,0,0,0,0|1,0,1]=4 2150 B11R1.3 CSc1ccc(cc1)C(=O)[13CH3] 1458a_100000189692_200025704644 [1,1,0,0,0,0|0,0,1]=3 2151 B11R1.3 CSc1ccc(cc1)C(C)C 62a_100000750031_200000210301 [1,1,0,0,0,0|0,0,1]=3 2152 B11R1.3 CSc1ccc(cc1)C(C)C 62a_200000210301_100000750031 [1,1,0,0,0,0|0,0,1]=3 2153 B11R1.3 CSc1ccc(cc1)C(C)O 62a_100000745893_200000210301 [1,1,0,0,0,0|0,0,1]=3 2154 B11R1.3 CSc1ccc(cc1)C(C)O 62a_200000210301_100000745893 [1,1,0,0,0,0|0,0,1]=3 2155 B11R1.3 CSc1ccc(cc1)C(F)F 62a_100000687661_200000210301 [1,1,0,0,0,0|2,0,0]=4 2156 B11R1.3 CSc1ccc(cc1)C(F)F 62a_200000210301_100000687661 [1,1,0,0,0,0|2,0,0]=4 2157 B11R1.3 CSc1ccc(cc1)N(C)C 62a_100000210421_200000210301 [1,1,0,0,0,0|1,0,1]=4 2158 B11R1.3 CSc1ccc(cc1)N(C)C 62a_200000210301_100000210421 [1,1,0,0,0,0|1,0,1]=4 2159 B11R1.3 CSc1ccc(cc1)S(=O)C 62a_100009816266_200000210301 [1,1,0,0,0,0|1,0,0]=3 2160 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_100000720352_200000210301 [1,1,0,0,0,0|1,0,0]=3 2161 B11R1.3 CSc1ccc(cc1)[C@@H](C)N 62a_200000210301_100000720352 [1,1,0,0,0,0|1,0,0]=3 2162 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_100000753911_200000210301 [1,1,0,0,0,0|1,0,0]=3 2163 B11R1.3 CSc1ccc(cc1)[C@H](C)N 62a_200000210301_100000753911 [1,1,0,0,0,0|1,0,0]=3 2164 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_100000684857_200000210301 [1,1,0,0,0,0|1,0,1]=4 2165 B11R1.3 CSc1ccc(cn1)C(=O)C 62a_200000210301_100000684857 [1,1,0,0,0,0|1,0,1]=4 2166 B11R1.3 CSc1ccc(cn1)C(C)C 62a_200000210301_200009815286 [1,1,0,0,0,0|1,0,1]=4 2167 B11R1.3 CSc1ccc(cn1)C(C)C 62a_200009815286_200000210301 [1,1,0,0,0,0|1,0,1]=4 2168 B11R1.3 CSc1ccc(cn1)C(C)O 62a_200000210301_200010274204 [1,1,0,0,0,0|1,0,1]=4 2169 B11R1.3 CSc1ccc(cn1)C(C)O 62a_200010274204_200000210301 [1,1,0,0,0,0|1,0,1]=4 2170 B11R1.3 CSc1ccc(cn1)[C@H](C)N 62a_100015387476_200000210301 [1,1,0,0,0,0|2,0,0]=4 2171 B11R1.3 CSc1ccc(cn1)[C@H](C)N 62a_200000210301_100015387476 [1,1,0,0,0,0|2,0,0]=4 2172 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_100000686046_200000210301 [1,1,0,0,0,0|1,0,1]=4 2173 B11R1.3 CSc1ccc(nc1)C(=O)C 62a_200000210301_100000686046 [1,1,0,0,0,0|1,0,1]=4 2174 B11R1.3 CSc1ccc(nc1)C(C)C 62a_100010255768_200000210301 [1,1,0,0,0,0|1,0,1]=4 2175 B11R1.3 CSc1ccc(nc1)C(C)C 62a_200000210301_100010255768 [1,1,0,0,0,0|1,0,1]=4 2176 B11R1.3 CSc1ccc(nc1)C(C)N 62a_100000723930_200000210301 [1,1,0,0,0,0|2,0,0]=4 2177 B11R1.3 CSc1ccc(nc1)C(C)N 62a_200000210301_100000723930 [1,1,0,0,0,0|2,0,0]=4 2178 B11R1.3 CSc1ccc(nc1)C(C)O 62a_100012353650_200000210301 [1,1,0,0,0,0|1,0,1]=4 2179 B11R1.3 CSc1ccc(nc1)C(C)O 62a_200000210301_100012353650 [1,1,0,0,0,0|1,0,1]=4 2180 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_100000720352_200025704644 [1,1,0,0,0,0|1,0,0]=3 2181 B11R1.3 C[C@@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000720352 [1,1,0,0,0,0|1,0,0]=3 2182 B11R1.3 C[C@H](N)c1ccc(cc1)O[13CH3] 34a_100161106496_200025704644 [1,1,0,0,0,0|1,0,0]=3 2183 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_100000753911_200025704644 [1,1,0,0,0,0|1,0,0]=3 2184 B11R1.3 C[C@H](N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000753911 [1,1,0,0,0,0|1,0,0]=3 2185 B11R1.3 C[C@H](N)c1ccc(nc1)S[13CH3] 62a_100015387476_200025704644 [1,1,0,0,0,0|2,0,0]=4 2186 B11R1.3 C[C@H](N)c1ccc(nc1)S[13CH3] 62a_200025704644_100015387476 [1,1,0,0,0,0|2,0,0]=4 2187 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 34a_100010188728_200025704644 [1,1,0,0,0,0|1,0,1]=4 2188 B11R1.3 C[S+](C)c1ccc(cc1)O[13CH3] 7a_100010188728_200025704644 [1,1,0,0,0,0|1,0,1]=4 2189 B11R1.3 [13CH3]C(=O)c1ccc(cc1)C#N 1458a_100000210717_200025704644 [1,1,0,0,0,0|0,0,2]=4 2190 B11R1.3 [13CH3]C(=O)c1ccc(cc1)CO 1458a_100000183892_200025704644 [1,1,0,0,0,0|0,0,1]=3 2191 B11R1.3 [13CH3]Nc1ccc(cc1)C(=O)N 34a_100000210537_200025704644 [1,1,0,0,0,0|1,0,1]=4 2192 B11R1.3 [13CH3]Nc1ccc(cc1)C(F)F 34a_100020620101_200025704644 [1,1,0,0,0,0|2,0,0]=4 2193 B11R1.3 [13CH3]Nc1ccc(cc1)C(F)F 7a_100020620101_200025704644 [1,1,0,0,0,0|2,0,0]=4 2194 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 2230a_100015195142_200025704644 [1,1,0,0,0,0|2,0,0]=4 2195 B11R1.3 [13CH3]Nc1ccc(cc1)[N+](=O)[O-] 34a_100015195142_200025704644 [1,1,0,0,0,0|2,0,0]=4 2196 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 34a_100000746352_200025704644 [1,1,0,0,0,0|1,0,1]=4 2197 B11R1.3 [13CH3]Oc1ccc(cc1)C(=O)N 7a_100000746352_200025704644 [1,1,0,0,0,0|1,0,1]=4 2198 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 34a_100000185810_200025704644 [1,1,0,0,0,0|2,0,0]=4 2199 B11R1.3 [13CH3]Oc1ccc(cc1)[N+](=O)[O-] 7a_100000185810_200025704644 [1,1,0,0,0,0|2,0,0]=4 2200 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_100000162191_200025704644 [1,1,0,0,0,0|1,0,1]=4 2201 B11R1.3 [13CH3]Sc1ccc(cc1)C(=O)N 62a_200025704644_100000162191 [1,1,0,0,0,0|1,0,1]=4 2202 B11R1.3 [13CH3]Sc1ccc(cc1)C(F)F 62a_100000687661_200025704644 [1,1,0,0,0,0|2,0,0]=4 2203 B11R1.3 [13CH3]Sc1ccc(cc1)C(F)F 62a_200025704644_100000687661 [1,1,0,0,0,0|2,0,0]=4 2204 B11R1.19 CC(C)(C)c1ccc(cc1)O 271570a_203496583355_100011215385 [1,1,0,0,0,0|1,0,1]=4 2205 B11R1.19 CC(C)(N)c1ccc(cc1)O 271570a_203496583355_100000739617 [1,1,0,0,0,0|1,0,1]=4 2206 B11R1.19 CC(C)(O)c1ccc(cc1)O 271570a_203496583355_100000753367 [1,1,0,0,0,0|1,0,1]=4 2207 B11R1.19 CC(F)(F)c1ccc(cc1)O 271570a_203496583355_100009817129 [1,1,0,0,0,0|2,0,0]=4 2208 B11R1.19 CS(=O)(=O)c1ccc(cc1)O 271570a_203496583355_100000765142 [1,1,0,0,0,0|2,0,0]=4 2209 B11R1.21 C=C(C)c1cc(c(cn1)C)C 271570a_100000694244_100009850809 [1,1,0,0,0,0|1,0,1]=4 2210 B11R1.21 C=C(C)c1cc(c(cn1)C)F 271570a_100000694244_100009841206 [1,1,0,0,0,0|1,0,1]=4 2211 B11R1.21 C=C(C)c1cc(c(cn1)C)N 271570a_100000694244_100000690170 [1,1,0,0,0,0|1,0,1]=4 2212 B11R1.21 C=C(C)c1cc(c(cn1)C)O 271570a_100000694244_100000704368 [1,1,0,0,0,0|1,0,1]=4 2213 B11R1.21 C=C(C)c1ccc([n+](c1)[O-])C 271570a_100000694244_100000703231 [1,1,0,0,0,0|1,0,1]=4 2214 B11R1.21 C=C(C)c1ccc(c(c1)Br)Br 271570a_100000694244_100012356285 [1,1,0,0,0,0|1,0,1]=4 2215 B11R1.21 C=C(C)c1ccc(c(c1)Br)C 271570a_100000694244_100011847877 [1,1,0,0,0,0|0,0,1]=3 2216 B11R1.21 C=C(C)c1ccc(c(c1)Br)Cl 271570a_100000694244_100012353702 [1,1,0,0,0,0|1,0,1]=4 2217 B11R1.21 C=C(C)c1ccc(c(c1)Br)F 271570a_100000694244_100012047266 [1,1,0,0,0,0|1,0,1]=4 2218 B11R1.21 C=C(C)c1ccc(c(c1)Br)N 271570a_100000694244_100000750455 [1,1,0,0,0,0|1,0,1]=4 2219 B11R1.21 C=C(C)c1ccc(c(c1)Br)O 271570a_100000694244_100012361655 [1,1,0,0,0,0|1,0,1]=4 2220 B11R1.21 C=C(C)c1ccc(c(c1)C)Br 271570a_100000694244_100009813585 [1,1,0,0,0,0|1,0,1]=4 2221 B11R1.21 C=C(C)c1ccc(c(c1)C)C 271570a_100000694244_100011215607 [1,1,0,0,0,0|0,0,1]=3 2222 B11R1.21 C=C(C)c1ccc(c(c1)C)Cl 271570a_100000694244_100000049509 [1,1,0,0,0,0|1,0,1]=4 2223 B11R1.21 C=C(C)c1ccc(c(c1)C)F 271570a_100000694244_100011218330 [1,1,0,0,0,0|1,0,1]=4 2224 B11R1.21 C=C(C)c1ccc(c(c1)C)N 271570a_100000694244_100000211769 [1,1,0,0,0,0|1,0,1]=4 2225 B11R1.21 C=C(C)c1ccc(c(c1)C)O 271570a_100000694244_100000186361 [1,1,0,0,0,0|1,0,1]=4 2226 B11R1.21 C=C(C)c1ccc(c(c1)Cl)Br 271570a_100000694244_100012047281 [1,1,0,0,0,0|1,0,1]=4 2227 B11R1.21 C=C(C)c1ccc(c(c1)Cl)C 271570a_100000694244_100011216363 [1,1,0,0,0,0|0,0,1]=3 2228 B11R1.21 C=C(C)c1ccc(c(c1)Cl)Cl 271570a_100000694244_100011214914 [1,1,0,0,0,0|1,0,1]=4 2229 B11R1.21 C=C(C)c1ccc(c(c1)Cl)F 271570a_100000694244_100011215976 [1,1,0,0,0,0|1,0,1]=4 2230 B11R1.21 C=C(C)c1ccc(c(c1)Cl)N 271570a_100000694244_100011218065 [1,1,0,0,0,0|1,0,1]=4 2231 B11R1.21 C=C(C)c1ccc(c(c1)Cl)O 271570a_100000694244_100012360047 [1,1,0,0,0,0|1,0,1]=4 2232 B11R1.21 C=C(C)c1ccc(c(c1)F)Br 271570a_100000694244_100000685389 [1,1,0,0,0,0|1,0,1]=4 2233 B11R1.21 C=C(C)c1ccc(c(c1)F)C 271570a_100000694244_100000720648 [1,1,0,0,0,0|0,0,1]=3 2234 B11R1.21 C=C(C)c1ccc(c(c1)F)Cl 271570a_100000694244_100011216805 [1,1,0,0,0,0|1,0,1]=4 2235 B11R1.21 C=C(C)c1ccc(c(c1)F)F 271570a_100000694244_100000750028 [1,1,0,0,0,0|1,0,1]=4 2236 B11R1.21 C=C(C)c1ccc(c(c1)F)N 271570a_100000694244_100011215594 [1,1,0,0,0,0|1,0,1]=4 2237 B11R1.21 C=C(C)c1ccc(c(c1)F)O 271570a_100000694244_100000185481 [1,1,0,0,0,0|1,0,1]=4 2238 B11R1.21 C=C(C)c1ccc(c(c1)N)Br 271570a_100000694244_100000750456 [1,1,0,0,0,0|1,0,1]=4 2239 B11R1.21 C=C(C)c1ccc(c(c1)N)C 271570a_100000694244_100000761890 [1,1,0,0,0,0|0,0,1]=3 2240 B11R1.21 C=C(C)c1ccc(c(c1)N)Cl 271570a_100000694244_200000761891 [1,1,0,0,0,0|1,0,1]=4 2241 B11R1.21 C=C(C)c1ccc(c(c1)N)F 271570a_100000694244_100000740924 [1,1,0,0,0,0|1,0,1]=4 2242 B11R1.21 C=C(C)c1ccc(c(c1)N)N 271570a_100000694244_100000741789 [1,1,0,0,0,0|1,0,1]=4 2243 B11R1.21 C=C(C)c1ccc(c(c1)N)O 271570a_100000694244_100000752626 [1,1,0,0,0,0|1,0,1]=4 2244 B11R1.21 C=C(C)c1ccc(c(c1)O)Br 271570a_100000694244_100012356990 [1,1,0,0,0,0|1,0,1]=4 2245 B11R1.21 C=C(C)c1ccc(c(c1)O)C 271570a_100000694244_100000766334 [1,1,0,0,0,0|0,0,1]=3 2246 B11R1.21 C=C(C)c1ccc(c(c1)O)Cl 271570a_100000694244_100011356854 [1,1,0,0,0,0|1,0,1]=4 2247 B11R1.21 C=C(C)c1ccc(c(c1)O)F 271570a_100000694244_100000686035 [1,1,0,0,0,0|1,0,1]=4 2248 B11R1.21 C=C(C)c1ccc(c(c1)O)N 271570a_100000694244_100000739049 [1,1,0,0,0,0|1,0,1]=4 2249 B11R1.21 C=C(C)c1ccc(c(c1)O)O 271570a_100000694244_100009813601 [1,1,0,0,0,0|1,0,1]=4 2250 B11R1.21 C=C(C)c1ccc(c(n1)C)C 271570a_100000694244_100000103781 [1,1,0,0,0,0|1,0,1]=4 2251 B11R1.21 C=C(C)c1ccc(c(n1)N)C 271570a_100000694244_100009857032 [1,1,0,0,0,0|1,0,1]=4 2252 B11R1.21 C=C(C)c1ccn(c(=O)c1)C 271570a_100000694244_100009820031 [1,1,0,0,0,0|1,0,1]=4 2253 B11R1.21 C=C(C)c1cnc(c(c1)C)C 271570a_100000694244_100000697892 [1,1,0,0,0,0|1,0,1]=4 2254 B11R1.21 C=C(C)c1cnc(c(c1)F)C 271570a_100000694244_100009845756 [1,1,0,0,0,0|1,0,1]=4 2255 B11R1.21 C=C(C)c1cnc(c(c1)N)C 271570a_100000694244_100011999542 [1,1,0,0,0,0|1,0,1]=4 2256 B11R1.21 C=C(C)c1cnc(c(c1)O)C 271570a_100000694244_100009864810 [1,1,0,0,0,0|1,0,1]=4 2257 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200000210301 [1,1,0,0,0,0|1,0,1]=4 2258 B11R1.21 CC(=O)c1ccc(c(c1)Br)C 1458a_100000186397_200000210301 [1,1,0,0,0,0|0,0,1]=3 2259 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [1,1,0,0,0,0|1,0,1]=4 2260 B11R1.21 CC(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200000210301 [1,1,0,0,0,0|1,0,1]=4 2261 B11R1.21 CC(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200000210301 [1,1,0,0,0,0|1,0,1]=4 2262 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200000210301 [1,1,0,0,0,0|1,0,1]=4 2263 B11R1.21 CC(=O)c1ccc(c(c1)Br)O 271570a_203496583355_100010146554 [1,1,0,0,0,0|1,0,1]=4 2264 B11R1.21 CC(=O)c1ccc(c(c1)C)Br 1458a_100000692631_200000210301 [1,1,0,0,0,0|1,0,1]=4 2265 B11R1.21 CC(=O)c1ccc(c(c1)C)C 1458a_100000210898_200000210301 [1,1,0,0,0,0|0,0,1]=3 2266 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [1,1,0,0,0,0|1,0,1]=4 2267 B11R1.21 CC(=O)c1ccc(c(c1)C)F 1458a_100000751819_200000210301 [1,1,0,0,0,0|1,0,1]=4 2268 B11R1.21 CC(=O)c1ccc(c(c1)C)I 1458a_100000751300_200000210301 [1,1,0,0,0,0|1,0,1]=4 2269 B11R1.21 CC(=O)c1ccc(c(c1)C)O 1458a_100000685612_200000210301 [1,1,0,0,0,0|1,0,1]=4 2270 B11R1.21 CC(=O)c1ccc(c(c1)C)O 271570a_203496583355_100000697869 [1,1,0,0,0,0|1,0,1]=4 2271 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [1,1,0,0,0,0|1,0,1]=4 2272 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [1,1,0,0,0,0|0,0,1]=3 2273 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [1,1,0,0,0,0|1,0,1]=4 2274 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [1,1,0,0,0,0|1,0,1]=4 2275 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [1,1,0,0,0,0|1,0,1]=4 2276 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [1,1,0,0,0,0|1,0,1]=4 2277 B11R1.21 CC(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200000210301 [1,1,0,0,0,0|1,0,1]=4 2278 B11R1.21 CC(=O)c1ccc(c(c1)F)C 1458a_100000212313_200000210301 [1,1,0,0,0,0|0,0,1]=3 2279 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [1,1,0,0,0,0|1,0,1]=4 2280 B11R1.21 CC(=O)c1ccc(c(c1)F)F 1458a_100000209822_200000210301 [1,1,0,0,0,0|1,0,1]=4 2281 B11R1.21 CC(=O)c1ccc(c(c1)F)I 1458a_100000062624_200000210301 [1,1,0,0,0,0|1,0,1]=4 2282 B11R1.21 CC(=O)c1ccc(c(c1)F)O 1458a_100000185466_200000210301 [1,1,0,0,0,0|1,0,1]=4 2283 B11R1.21 CC(=O)c1ccc(c(c1)F)O 271570a_203496583355_100000690002 [1,1,0,0,0,0|1,0,1]=4 2284 B11R1.21 CC(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200000210301 [1,1,0,0,0,0|1,0,1]=4 2285 B11R1.21 CC(=O)c1ccc(c(c1)I)C 1458a_100000751299_200000210301 [1,1,0,0,0,0|0,0,1]=3 2286 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [1,1,0,0,0,0|1,0,1]=4 2287 B11R1.21 CC(=O)c1ccc(c(c1)I)F 1458a_100000688015_200000210301 [1,1,0,0,0,0|1,0,1]=4 2288 B11R1.21 CC(=O)c1ccc(c(c1)I)I 1458a_100000725830_200000210301 [1,1,0,0,0,0|1,0,1]=4 2289 B11R1.21 CC(=O)c1ccc(c(c1)I)O 1458a_100000037485_200000210301 [1,1,0,0,0,0|1,0,1]=4 2290 B11R1.21 CC(=O)c1ccc(c(c1)N)O 271570a_203496583355_100009816534 [1,1,0,0,0,0|1,0,1]=4 2291 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200000210301 [1,1,0,0,0,0|1,0,1]=4 2292 B11R1.21 CC(=O)c1ccc(c(c1)O)Br 271570a_203496583355_100010146556 [1,1,0,0,0,0|1,0,1]=4 2293 B11R1.21 CC(=O)c1ccc(c(c1)O)C 1458a_100000233767_200000210301 [1,1,0,0,0,0|0,0,1]=3 2294 B11R1.21 CC(=O)c1ccc(c(c1)O)C 271570a_203496583355_100011934287 [1,1,0,0,0,0|0,0,1]=3 2295 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [1,1,0,0,0,0|1,0,1]=4 2296 B11R1.21 CC(=O)c1ccc(c(c1)O)F 1458a_100000035894_200000210301 [1,1,0,0,0,0|1,0,1]=4 2297 B11R1.21 CC(=O)c1ccc(c(c1)O)F 271570a_203496583355_100000239719 [1,1,0,0,0,0|1,0,1]=4 2298 B11R1.21 CC(=O)c1ccc(c(c1)O)I 1458a_100000239334_200000210301 [1,1,0,0,0,0|1,0,1]=4 2299 B11R1.21 CC(=O)c1ccc(c(c1)O)N 271570a_203496583355_100012029215 [1,1,0,0,0,0|1,0,1]=4 2300 B11R1.21 CC(=O)c1ccc(c(c1)O)O 1458a_100000212155_200000210301 [1,1,0,0,0,0|1,0,1]=4 2301 B11R1.21 CC(=O)c1ccc(c(c1)O)O 271570a_203496583355_100011772453 [1,1,0,0,0,0|1,0,1]=4 2302 B11R1.21 CC(C)c1ccc(c(c1)Br)O 271570a_203496583355_200010212211 [1,1,0,0,0,0|1,0,1]=4 2303 B11R1.21 CC(C)c1ccc(c(c1)O)N 271570a_203496583355_100011218581 [1,1,0,0,0,0|1,0,1]=4 2304 B11R1.21 CC(O)c1ccc(c(c1)O)F 271570a_203496583355_100011191524 [1,1,0,0,0,0|1,0,1]=4 2305 B11R1.21 C[C@H](N)c1ccc(c(c1)F)O 271570a_203496583355_100134618348 [1,1,0,0,0,0|2,0,0]=4 2306 B11R1.21 C[C@H](N)c1ccc(c(c1)O)F 271570a_203496583355_100000753309 [1,1,0,0,0,0|2,0,0]=4 2307 B11R1.21 Cc1cc(ccc1Br)C(=O)[13CH3] 1458a_100000692631_200025704644 [1,1,0,0,0,0|1,0,1]=4 2308 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [1,1,0,0,0,0|1,0,1]=4 2309 B11R1.21 Cc1cc(ccc1F)C(=O)[13CH3] 1458a_100000751819_200025704644 [1,1,0,0,0,0|1,0,1]=4 2310 B11R1.21 Cc1cc(ccc1I)C(=O)[13CH3] 1458a_100000751300_200025704644 [1,1,0,0,0,0|1,0,1]=4 2311 B11R1.21 Cc1cc(ccc1O)C(=O)[13CH3] 1458a_100000685612_200025704644 [1,1,0,0,0,0|1,0,1]=4 2312 B11R1.21 Cc1ccc(cc1Br)C(=O)[13CH3] 1458a_100000186397_200025704644 [1,1,0,0,0,0|0,0,1]=3 2313 B11R1.21 Cc1ccc(cc1Br)N(C)C 2230a_100000707694_200000210301 [1,1,0,0,0,0|1,0,1]=4 2314 B11R1.21 Cc1ccc(cc1Br)N(C)C 269982a_100000707694_200000210301 [1,1,0,0,0,0|1,0,1]=4 2315 B11R1.21 Cc1ccc(cc1Br)N(C)C 34a_100000707694_200000210301 [1,1,0,0,0,0|1,0,1]=4 2316 B11R1.21 Cc1ccc(cc1Br)N(C)C 38a_100000707694_200000210301 [1,1,0,0,0,0|1,0,1]=4 2317 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 2230a_100000707694_200025704644 [1,1,0,0,0,0|1,0,1]=4 2318 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 269982a_100000707694_200025704644 [1,1,0,0,0,0|1,0,1]=4 2319 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 34a_100000707694_200025704644 [1,1,0,0,0,0|1,0,1]=4 2320 B11R1.21 Cc1ccc(cc1Br)N(C)[13CH3] 38a_100000707694_200025704644 [1,1,0,0,0,0|1,0,1]=4 2321 B11R1.21 Cc1ccc(cc1C)C(=O)[13CH3] 1458a_100000210898_200025704644 [1,1,0,0,0,0|0,0,1]=3 2322 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [1,1,0,0,0,0|0,0,1]=3 2323 B11R1.21 Cc1ccc(cc1Cl)N(C)C 2230a_100000220120_200000210301 [1,1,0,0,0,0|1,0,1]=4 2324 B11R1.21 Cc1ccc(cc1Cl)N(C)C 269982a_100000220120_200000210301 [1,1,0,0,0,0|1,0,1]=4 2325 B11R1.21 Cc1ccc(cc1Cl)N(C)C 34a_100000220120_200000210301 [1,1,0,0,0,0|1,0,1]=4 2326 B11R1.21 Cc1ccc(cc1Cl)N(C)C 38a_100000220120_200000210301 [1,1,0,0,0,0|1,0,1]=4 2327 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 2230a_100000220120_200025704644 [1,1,0,0,0,0|1,0,1]=4 2328 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 269982a_100000220120_200025704644 [1,1,0,0,0,0|1,0,1]=4 2329 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 34a_100000220120_200025704644 [1,1,0,0,0,0|1,0,1]=4 2330 B11R1.21 Cc1ccc(cc1Cl)N(C)[13CH3] 38a_100000220120_200025704644 [1,1,0,0,0,0|1,0,1]=4 2331 B11R1.21 Cc1ccc(cc1F)C(=O)[13CH3] 1458a_100000212313_200025704644 [1,1,0,0,0,0|0,0,1]=3 2332 B11R1.21 Cc1ccc(cc1F)N(C)C 2230a_100160572069_200000210301 [1,1,0,0,0,0|1,0,1]=4 2333 B11R1.21 Cc1ccc(cc1F)N(C)C 269982a_100160572069_200000210301 [1,1,0,0,0,0|1,0,1]=4 2334 B11R1.21 Cc1ccc(cc1F)N(C)C 34a_100160572069_200000210301 [1,1,0,0,0,0|1,0,1]=4 2335 B11R1.21 Cc1ccc(cc1F)N(C)C 38a_100160572069_200000210301 [1,1,0,0,0,0|1,0,1]=4 2336 B11R1.21 Cc1ccc(cc1F)N(C)C 7a_100160572069_200000210301 [1,1,0,0,0,0|1,0,1]=4 2337 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 2230a_100160572069_200025704644 [1,1,0,0,0,0|1,0,1]=4 2338 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 269982a_100160572069_200025704644 [1,1,0,0,0,0|1,0,1]=4 2339 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 34a_100160572069_200025704644 [1,1,0,0,0,0|1,0,1]=4 2340 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 38a_100160572069_200025704644 [1,1,0,0,0,0|1,0,1]=4 2341 B11R1.21 Cc1ccc(cc1F)N(C)[13CH3] 7a_100160572069_200025704644 [1,1,0,0,0,0|1,0,1]=4 2342 B11R1.21 Cc1ccc(cc1I)C(=O)[13CH3] 1458a_100000751299_200025704644 [1,1,0,0,0,0|0,0,1]=3 2343 B11R1.21 Cc1ccc(cc1O)C(=O)N 271570a_203496583355_100000186401 [1,1,0,0,0,0|1,0,1]=4 2344 B11R1.21 Cc1ccc(cc1O)C(=O)[13CH3] 1458a_100000233767_200025704644 [1,1,0,0,0,0|0,0,1]=3 2345 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Br 1458a_100012339404_200025704644 [1,1,0,0,0,0|1,0,1]=4 2346 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [1,1,0,0,0,0|1,0,1]=4 2347 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)F 1458a_100000760357_200025704644 [1,1,0,0,0,0|1,0,1]=4 2348 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)I 1458a_100000739115_200025704644 [1,1,0,0,0,0|1,0,1]=4 2349 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)O 1458a_100000189672_200025704644 [1,1,0,0,0,0|1,0,1]=4 2350 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [1,1,0,0,0,0|1,0,1]=4 2351 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [1,1,0,0,0,0|1,0,1]=4 2352 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [1,1,0,0,0,0|1,0,1]=4 2353 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [1,1,0,0,0,0|1,0,1]=4 2354 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [1,1,0,0,0,0|1,0,1]=4 2355 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Br 1458a_100000743946_200025704644 [1,1,0,0,0,0|1,0,1]=4 2356 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [1,1,0,0,0,0|1,0,1]=4 2357 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)F 1458a_100000209822_200025704644 [1,1,0,0,0,0|1,0,1]=4 2358 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)I 1458a_100000062624_200025704644 [1,1,0,0,0,0|1,0,1]=4 2359 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)O 1458a_100000185466_200025704644 [1,1,0,0,0,0|1,0,1]=4 2360 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Br 1458a_100012343876_200025704644 [1,1,0,0,0,0|1,0,1]=4 2361 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [1,1,0,0,0,0|1,0,1]=4 2362 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)F 1458a_100000688015_200025704644 [1,1,0,0,0,0|1,0,1]=4 2363 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)I 1458a_100000725830_200025704644 [1,1,0,0,0,0|1,0,1]=4 2364 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)O 1458a_100000037485_200025704644 [1,1,0,0,0,0|1,0,1]=4 2365 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Br 1458a_100000689001_200025704644 [1,1,0,0,0,0|1,0,1]=4 2366 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [1,1,0,0,0,0|1,0,1]=4 2367 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)F 1458a_100000035894_200025704644 [1,1,0,0,0,0|1,0,1]=4 2368 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)I 1458a_100000239334_200025704644 [1,1,0,0,0,0|1,0,1]=4 2369 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)O 1458a_100000212155_200025704644 [1,1,0,0,0,0|1,0,1]=4 2370 B11R1.166 C=C(C)c1ccc(c[n+]1[O-])C 271570a_100000694244_100009819918 [1,1,0,0,0,0|1,0,1]=4 2371 B11R1.166 C=C(C)c1ccc(cc1Br)Br 271570a_100000694244_100011484698 [1,1,0,0,0,0|1,0,1]=4 2372 B11R1.166 C=C(C)c1ccc(cc1Br)C 271570a_100000694244_100009813563 [1,1,0,0,0,0|0,0,1]=3 2373 B11R1.166 C=C(C)c1ccc(cc1Br)Cl 271570a_100000694244_100011219703 [1,1,0,0,0,0|1,0,1]=4 2374 B11R1.166 C=C(C)c1ccc(cc1Br)F 271570a_100000694244_100011217111 [1,1,0,0,0,0|1,0,1]=4 2375 B11R1.166 C=C(C)c1ccc(cc1Br)N 271570a_100000694244_100000750458 [1,1,0,0,0,0|1,0,1]=4 2376 B11R1.166 C=C(C)c1ccc(cc1Br)O 271570a_100000694244_100000701344 [1,1,0,0,0,0|1,0,1]=4 2377 B11R1.166 C=C(C)c1ccc(cc1C)Br 271570a_100000694244_100000701812 [1,1,0,0,0,0|1,0,1]=4 2378 B11R1.166 C=C(C)c1ccc(cc1C)C 271570a_100000694244_100011217332 [1,1,0,0,0,0|0,0,1]=3 2379 B11R1.166 C=C(C)c1ccc(cc1C)Cl 271570a_100000694244_100011219607 [1,1,0,0,0,0|1,0,1]=4 2380 B11R1.166 C=C(C)c1ccc(cc1C)F 271570a_100000694244_100011205405 [1,1,0,0,0,0|1,0,1]=4 2381 B11R1.166 C=C(C)c1ccc(cc1C)N 271570a_100000694244_100000210723 [1,1,0,0,0,0|1,0,1]=4 2382 B11R1.166 C=C(C)c1ccc(cc1C)O 271570a_100000694244_100000729255 [1,1,0,0,0,0|1,0,1]=4 2383 B11R1.166 C=C(C)c1ccc(cc1Cl)Br 271570a_100000694244_100011216062 [1,1,0,0,0,0|1,0,1]=4 2384 B11R1.166 C=C(C)c1ccc(cc1Cl)C 271570a_100000694244_100011263221 [1,1,0,0,0,0|0,0,1]=3 2385 B11R1.166 C=C(C)c1ccc(cc1Cl)Cl 271570a_100000694244_100000699841 [1,1,0,0,0,0|1,0,1]=4 2386 B11R1.166 C=C(C)c1ccc(cc1Cl)F 271570a_100000694244_100000733362 [1,1,0,0,0,0|1,0,1]=4 2387 B11R1.166 C=C(C)c1ccc(cc1Cl)N 271570a_100000694244_100000761885 [1,1,0,0,0,0|1,0,1]=4 2388 B11R1.166 C=C(C)c1ccc(cc1Cl)O 271570a_100000694244_100000047559 [1,1,0,0,0,0|1,0,1]=4 2389 B11R1.166 C=C(C)c1ccc(cc1F)Br 271570a_100000694244_100009814013 [1,1,0,0,0,0|1,0,1]=4 2390 B11R1.166 C=C(C)c1ccc(cc1F)C 271570a_100000694244_100011216119 [1,1,0,0,0,0|0,0,1]=3 2391 B11R1.166 C=C(C)c1ccc(cc1F)Cl 271570a_100000694244_100011216042 [1,1,0,0,0,0|1,0,1]=4 2392 B11R1.166 C=C(C)c1ccc(cc1F)F 271570a_100000694244_100000750030 [1,1,0,0,0,0|1,0,1]=4 2393 B11R1.166 C=C(C)c1ccc(cc1F)N 271570a_100000694244_100011356925 [1,1,0,0,0,0|1,0,1]=4 2394 B11R1.166 C=C(C)c1ccc(cc1F)O 271570a_100000694244_100000755031 [1,1,0,0,0,0|1,0,1]=4 2395 B11R1.166 C=C(C)c1ccc(cc1N)Br 271570a_100000694244_100000743836 [1,1,0,0,0,0|1,0,1]=4 2396 B11R1.166 C=C(C)c1ccc(cc1N)C 271570a_100000694244_100011216686 [1,1,0,0,0,0|0,0,1]=3 2397 B11R1.166 C=C(C)c1ccc(cc1N)Cl 271570a_100000694244_100000761886 [1,1,0,0,0,0|1,0,1]=4 2398 B11R1.166 C=C(C)c1ccc(cc1N)F 271570a_100000694244_100011218093 [1,1,0,0,0,0|1,0,1]=4 2399 B11R1.166 C=C(C)c1ccc(cc1N)N 271570a_100000694244_200012175722 [1,1,0,0,0,0|1,0,1]=4 2400 B11R1.166 C=C(C)c1ccc(cc1N)O 271570a_100000694244_100011999798 [1,1,0,0,0,0|1,0,1]=4 2401 B11R1.166 C=C(C)c1ccc(cc1O)Br 271570a_100000694244_100012344904 [1,1,0,0,0,0|1,0,1]=4 2402 B11R1.166 C=C(C)c1ccc(cc1O)C 271570a_100000694244_100012002257 [1,1,0,0,0,0|0,0,1]=3 2403 B11R1.166 C=C(C)c1ccc(cc1O)Cl 271570a_100000694244_100000050036 [1,1,0,0,0,0|1,0,1]=4 2404 B11R1.166 C=C(C)c1ccc(cc1O)F 271570a_100000694244_100000690578 [1,1,0,0,0,0|1,0,1]=4 2405 B11R1.166 C=C(C)c1ccc(cc1O)O 271570a_100000694244_100009813921 [1,1,0,0,0,0|1,0,1]=4 2406 B11R1.166 C=C(C)c1ccc(nc1C)C 271570a_100000694244_100009813853 [1,1,0,0,0,0|1,0,1]=4 2407 B11R1.166 C=C(C)c1ccc(nc1F)C 271570a_100000694244_100010006597 [1,1,0,0,0,0|1,0,1]=4 2408 B11R1.166 C=C(C)c1ccc(nc1N)C 271570a_100000694244_100009816662 [1,1,0,0,0,0|1,0,1]=4 2409 B11R1.166 C=C(C)c1ccc(nc1O)C 271570a_100000694244_100009817604 [1,1,0,0,0,0|1,0,1]=4 2410 B11R1.166 C=C(C)c1cnc(cc1C)C 271570a_100000694244_100009819613 [1,1,0,0,0,0|1,0,1]=4 2411 B11R1.166 C=C(C)c1cnc(cc1N)C 271570a_100000694244_100009817891 [1,1,0,0,0,0|1,0,1]=4 2412 B11R1.166 C=C(C)c1cnc(cc1O)C 271570a_100000694244_100011016184 [1,1,0,0,0,0|1,0,1]=4 2413 B11R1.166 C=C(C)c1ncc(cc1C)C 271570a_100000694244_100009864548 [1,1,0,0,0,0|1,0,1]=4 2414 B11R1.166 C=C(C)c1ncc(cc1F)C 271570a_100000694244_100009819633 [1,1,0,0,0,0|1,0,1]=4 2415 B11R1.166 C=C(C)c1ncc(cc1N)C 271570a_100000694244_100000733613 [1,1,0,0,0,0|1,0,1]=4 2416 B11R1.166 C=C(C)c1ncc(cc1O)C 271570a_100000694244_100012000487 [1,1,0,0,0,0|1,0,1]=4 2417 B11R1.166 CC(=O)c1ccc(cc1Br)Br 1458a_100000762965_200000210301 [1,1,0,0,0,0|1,0,1]=4 2418 B11R1.166 CC(=O)c1ccc(cc1Br)C 1458a_100000685072_200000210301 [1,1,0,0,0,0|0,0,1]=3 2419 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [1,1,0,0,0,0|1,0,1]=4 2420 B11R1.166 CC(=O)c1ccc(cc1Br)F 1458a_100000212304_200000210301 [1,1,0,0,0,0|1,0,1]=4 2421 B11R1.166 CC(=O)c1ccc(cc1Br)I 1458a_100012360512_200000210301 [1,1,0,0,0,0|1,0,1]=4 2422 B11R1.166 CC(=O)c1ccc(cc1Br)O 1458a_100012344906_200000210301 [1,1,0,0,0,0|1,0,1]=4 2423 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [1,1,0,0,0,0|1,0,1]=4 2424 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [1,1,0,0,0,0|0,0,1]=3 2425 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [1,1,0,0,0,0|1,0,1]=4 2426 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [1,1,0,0,0,0|1,0,1]=4 2427 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [1,1,0,0,0,0|1,0,1]=4 2428 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [1,1,0,0,0,0|1,0,1]=4 2429 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [1,1,0,0,0,0|1,0,1]=4 2430 B11R1.166 CC(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200000210301 [1,1,0,0,0,0|1,0,1]=4 2431 B11R1.166 CC(=O)c1ccc(cc1Cl)C 1458a_100000766932_200000210301 [1,1,0,0,0,0|0,0,1]=3 2432 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [1,1,0,0,0,0|1,0,1]=4 2433 B11R1.166 CC(=O)c1ccc(cc1Cl)F 1458a_100000211397_200000210301 [1,1,0,0,0,0|1,0,1]=4 2434 B11R1.166 CC(=O)c1ccc(cc1Cl)I 1458a_100000751301_200000210301 [1,1,0,0,0,0|1,0,1]=4 2435 B11R1.166 CC(=O)c1ccc(cc1Cl)O 1458a_100000702456_200000210301 [1,1,0,0,0,0|1,0,1]=4 2436 B11R1.166 CC(=O)c1ccc(cc1F)Br 1458a_100000214689_200000210301 [1,1,0,0,0,0|1,0,1]=4 2437 B11R1.166 CC(=O)c1ccc(cc1F)C 1458a_100000766033_200000210301 [1,1,0,0,0,0|0,0,1]=3 2438 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [1,1,0,0,0,0|1,0,1]=4 2439 B11R1.166 CC(=O)c1ccc(cc1F)F 1458a_100000211022_200000210301 [1,1,0,0,0,0|1,0,1]=4 2440 B11R1.166 CC(=O)c1ccc(cc1F)I 1458a_100000037189_200000210301 [1,1,0,0,0,0|1,0,1]=4 2441 B11R1.166 CC(=O)c1ccc(cc1F)O 1458a_100000689029_200000210301 [1,1,0,0,0,0|1,0,1]=4 2442 B11R1.166 CC(=O)c1ccc(cc1F)O 271570a_203496583355_100000690205 [1,1,0,0,0,0|1,0,1]=4 2443 B11R1.166 CC(=O)c1ccc(cc1I)Br 1458a_100000751167_200000210301 [1,1,0,0,0,0|1,0,1]=4 2444 B11R1.166 CC(=O)c1ccc(cc1I)C 1458a_100009999607_200000210301 [1,1,0,0,0,0|0,0,1]=3 2445 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [1,1,0,0,0,0|1,0,1]=4 2446 B11R1.166 CC(=O)c1ccc(cc1I)F 1458a_100000739341_200000210301 [1,1,0,0,0,0|1,0,1]=4 2447 B11R1.166 CC(=O)c1ccc(cc1N)O 271570a_203496583355_100011590516 [1,1,0,0,0,0|1,0,1]=4 2448 B11R1.166 CC(=O)c1ccc(cc1O)Br 1458a_100000744433_200000210301 [1,1,0,0,0,0|1,0,1]=4 2449 B11R1.166 CC(=O)c1ccc(cc1O)C 1458a_100000212137_200000210301 [1,1,0,0,0,0|0,0,1]=3 2450 B11R1.166 CC(=O)c1ccc(cc1O)C 271570a_203496583355_100012353930 [1,1,0,0,0,0|0,0,1]=3 2451 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [1,1,0,0,0,0|1,0,1]=4 2452 B11R1.166 CC(=O)c1ccc(cc1O)F 1458a_100000746061_200000210301 [1,1,0,0,0,0|1,0,1]=4 2453 B11R1.166 CC(=O)c1ccc(cc1O)F 271570a_203496583355_100000686192 [1,1,0,0,0,0|1,0,1]=4 2454 B11R1.166 CC(=O)c1ccc(cc1O)I 1458a_100000091984_200000210301 [1,1,0,0,0,0|1,0,1]=4 2455 B11R1.166 CC(=O)c1ccc(cc1O)O 1458a_100000212172_200000210301 [1,1,0,0,0,0|1,0,1]=4 2456 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100000188348 [1,1,0,0,0,0|1,0,1]=4 2457 B11R1.166 CC(=O)c1ccc(cc1O)O 271570a_203496583355_100012340537 [1,1,0,0,0,0|1,0,1]=4 2458 B11R1.166 CC(N)c1ccc(cc1F)O 271570a_203496583355_100000730447 [1,1,0,0,0,0|2,0,0]=4 2459 B11R1.166 C[C@@H](N)c1ccc(cc1O)F 271570a_203496583355_100025704064 [1,1,0,0,0,0|2,0,0]=4 2460 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [1,1,0,0,0,0|1,0,1]=4 2461 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [1,1,0,0,0,0|1,0,1]=4 2462 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [1,1,0,0,0,0|1,0,1]=4 2463 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [1,1,0,0,0,0|1,0,1]=4 2464 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [1,1,0,0,0,0|1,0,1]=4 2465 B11R1.166 Cc1ccc(c(c1)Br)C(=O)[13CH3] 1458a_100000685072_200025704644 [1,1,0,0,0,0|0,0,1]=3 2466 B11R1.166 Cc1ccc(c(c1)Br)N(C)C 2230a_100000221369_200000210301 [1,1,0,0,0,0|1,0,1]=4 2467 B11R1.166 Cc1ccc(c(c1)Br)N(C)C 269982a_100000221369_200000210301 [1,1,0,0,0,0|1,0,1]=4 2468 B11R1.166 Cc1ccc(c(c1)Br)N(C)C 34a_100000221369_200000210301 [1,1,0,0,0,0|1,0,1]=4 2469 B11R1.166 Cc1ccc(c(c1)Br)N(C)[13CH3] 2230a_100000221369_200025704644 [1,1,0,0,0,0|1,0,1]=4 2470 B11R1.166 Cc1ccc(c(c1)Br)N(C)[13CH3] 269982a_100000221369_200025704644 [1,1,0,0,0,0|1,0,1]=4 2471 B11R1.166 Cc1ccc(c(c1)Br)N(C)[13CH3] 34a_100000221369_200025704644 [1,1,0,0,0,0|1,0,1]=4 2472 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [1,1,0,0,0,0|0,0,1]=3 2473 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)[13CH3] 1458a_100000766932_200025704644 [1,1,0,0,0,0|0,0,1]=3 2474 B11R1.166 Cc1ccc(c(c1)F)C(=O)[13CH3] 1458a_100000766033_200025704644 [1,1,0,0,0,0|0,0,1]=3 2475 B11R1.166 Cc1ccc(c(c1)I)C(=O)[13CH3] 1458a_100009999607_200025704644 [1,1,0,0,0,0|0,0,1]=3 2476 B11R1.166 Cc1ccc(c(c1)O)C(=O)[13CH3] 1458a_100000212137_200025704644 [1,1,0,0,0,0|0,0,1]=3 2477 B11R1.166 Cc1ccc(c(c1)O)N(C)C 271570a_203496583355_100012353700 [1,1,0,0,0,0|1,0,1]=4 2478 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Br 1458a_100000762965_200025704644 [1,1,0,0,0,0|1,0,1]=4 2479 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [1,1,0,0,0,0|1,0,1]=4 2480 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)F 1458a_100000212304_200025704644 [1,1,0,0,0,0|1,0,1]=4 2481 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)I 1458a_100012360512_200025704644 [1,1,0,0,0,0|1,0,1]=4 2482 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)O 1458a_100012344906_200025704644 [1,1,0,0,0,0|1,0,1]=4 2483 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Br 1458a_100000741628_200025704644 [1,1,0,0,0,0|1,0,1]=4 2484 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [1,1,0,0,0,0|1,0,1]=4 2485 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)F 1458a_100000211397_200025704644 [1,1,0,0,0,0|1,0,1]=4 2486 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)I 1458a_100000751301_200025704644 [1,1,0,0,0,0|1,0,1]=4 2487 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)O 1458a_100000702456_200025704644 [1,1,0,0,0,0|1,0,1]=4 2488 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Br 1458a_100000214689_200025704644 [1,1,0,0,0,0|1,0,1]=4 2489 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [1,1,0,0,0,0|1,0,1]=4 2490 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)F 1458a_100000211022_200025704644 [1,1,0,0,0,0|1,0,1]=4 2491 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)I 1458a_100000037189_200025704644 [1,1,0,0,0,0|1,0,1]=4 2492 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)O 1458a_100000689029_200025704644 [1,1,0,0,0,0|1,0,1]=4 2493 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Br 1458a_100000751167_200025704644 [1,1,0,0,0,0|1,0,1]=4 2494 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [1,1,0,0,0,0|1,0,1]=4 2495 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)F 1458a_100000739341_200025704644 [1,1,0,0,0,0|1,0,1]=4 2496 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Br 1458a_100000744433_200025704644 [1,1,0,0,0,0|1,0,1]=4 2497 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [1,1,0,0,0,0|1,0,1]=4 2498 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)F 1458a_100000746061_200025704644 [1,1,0,0,0,0|1,0,1]=4 2499 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)I 1458a_100000091984_200025704644 [1,1,0,0,0,0|1,0,1]=4 2500 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)O 1458a_100000212172_200025704644 [1,1,0,0,0,0|1,0,1]=4 2501 B11R1.7 CC(C)(N[13CH3])c1ccccc1 2230a_100011218174_200025704644 [1,1,0,0,0,0|2,0,0]=4 2502 B11R1.7 CC(C)(O[13CH3])c1ccccc1 7a_100000694644_200025704644 [1,1,0,0,0,0|2,0,0]=4 2503 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_100000034625_200025704644 [1,1,0,0,0,0|2,0,0]=4 2504 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_200025704644_100000034625 [1,1,0,0,0,0|2,0,0]=4 2505 B11R1.7 CNC(C)(C)c1ccccc1 2230a_100011218174_200000210301 [1,1,0,0,0,0|2,0,0]=4 2506 B11R1.7 CNC(C)(C)c1ccccc1 2230a_106832991635_100000034625 [1,1,0,0,0,0|2,0,0]=4 2507 B11R1.7 COC(C)(C)c1ccccc1 7a_100000694644_200000210301 [1,1,0,0,0,0|2,0,0]=4 2508 B11R1.7 CSC(C)(C)c1ccccc1 62a_100000034625_200000210301 [1,1,0,0,0,0|2,0,0]=4 2509 B11R1.7 CSC(C)(C)c1ccccc1 62a_200000210301_100000034625 [1,1,0,0,0,0|2,0,0]=4 2510 B11R1.12 C#CC(OC)c1ccccc1 34a_100011219616_200000210301 [1,1,0,0,0,0|1,0,1]=4 2511 B11R1.12 C#CC(OC)c1ccccc1 7a_100011219616_200000210301 [1,1,0,0,0,0|1,0,1]=4 2512 B11R1.12 C#CC(O[13CH3])c1ccccc1 34a_100011219616_200025704644 [1,1,0,0,0,0|1,0,1]=4 2513 B11R1.12 C#CC(O[13CH3])c1ccccc1 7a_100011219616_200025704644 [1,1,0,0,0,0|1,0,1]=4 2514 B11R1.12 C=CC(NC)c1ccccc1 2230a_106832991635_200000085779 [1,1,0,0,0,0|1,0,0]=3 2515 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [1,1,0,0,0,0|1,0,0]=3 2516 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [1,1,0,0,0,0|1,0,0]=3 2517 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [1,1,0,0,0,0|1,0,0]=3 2518 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [1,1,0,0,0,0|1,0,0]=3 2519 B11R1.12 C=CC(SC)c1ccccc1 62a_200000085779_200000210301 [1,1,0,0,0,0|1,0,0]=3 2520 B11R1.12 C=CC(SC)c1ccccc1 62a_200000210301_200000085779 [1,1,0,0,0,0|1,0,0]=3 2521 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200000085779_200025704644 [1,1,0,0,0,0|1,0,0]=3 2522 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200025704644_200000085779 [1,1,0,0,0,0|1,0,0]=3 2523 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [1,1,0,0,0,0|1,0,1]=4 2524 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [1,1,0,0,0,0|1,0,1]=4 2525 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [1,1,0,0,0,0|1,0,1]=4 2526 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [1,1,0,0,0,0|1,0,1]=4 2527 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [1,1,0,0,0,0|1,0,1]=4 2528 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [1,1,0,0,0,0|1,0,1]=4 2529 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [1,1,0,0,0,0|1,0,1]=4 2530 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [1,1,0,0,0,0|0,0,2]=4 2531 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [1,1,0,0,0,0|0,0,2]=4 2532 B11R1.12 COC(C#N)c1ccccc1 7a_100011217353_200000210301 [1,1,0,0,0,0|1,0,1]=4 2533 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [1,1,0,0,0,0|1,0,1]=4 2534 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [1,1,0,0,0,0|1,0,1]=4 2535 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [1,1,0,0,0,0|1,0,1]=4 2536 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [1,1,0,0,0,0|1,0,1]=4 2537 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [1,1,0,0,0,0|0,0,2]=4 2538 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [1,1,0,0,0,0|0,0,2]=4 2539 B11R1.12 [13CH3]OC(C#N)c1ccccc1 7a_100011217353_200025704644 [1,1,0,0,0,0|1,0,1]=4 2540 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [1,1,0,0,0,0|1,0,1]=4 2541 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [1,1,0,0,0,0|1,0,1]=4 2542 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [1,1,0,0,0,0|1,0,1]=4 2543 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [1,1,0,0,0,0|1,0,1]=4 2544 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000210012_100000210623 [1,1,0,0,0,0|2,0,0]=4 2545 B11R1.16 C=CCN(C)c1ccccc1 2230a_100000211662_200000210301 [1,1,0,0,0,0|2,0,0]=4 2546 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000210012_100000210623 [1,1,0,0,0,0|2,0,0]=4 2547 B11R1.16 C=CCN(C)c1ccccc1 269982a_100000211662_200000210301 [1,1,0,0,0,0|2,0,0]=4 2548 B11R1.16 C=CCN(C)c1ccccc1 34a_100000210012_100015514636 [1,1,0,0,0,0|2,0,0]=4 2549 B11R1.16 C=CCN(C)c1ccccc1 34a_100000211662_200000210301 [1,1,0,0,0,0|2,0,0]=4 2550 B11R1.16 C=CCN([13CH3])c1ccccc1 2230a_100000211662_200025704644 [1,1,0,0,0,0|2,0,0]=4 2551 B11R1.16 C=CCN([13CH3])c1ccccc1 269982a_100000211662_200025704644 [1,1,0,0,0,0|2,0,0]=4 2552 B11R1.16 C=CCN([13CH3])c1ccccc1 34a_100000211662_200025704644 [1,1,0,0,0,0|2,0,0]=4 2553 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [1,1,0,0,0,0|1,0,1]=4 2554 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [1,1,0,0,0,0|1,0,1]=4 2555 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [1,1,0,0,0,0|0,0,2]=4 2556 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [1,1,0,0,0,0|0,0,2]=4 2557 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [1,1,0,0,0,0|0,1,1]=4 2558 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [1,1,0,0,0,0|0,1,1]=4 2559 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [1,1,0,0,0,0|1,0,1]=4 2560 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [1,1,0,0,0,0|1,0,1]=4 2561 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [1,1,0,0,0,0|1,0,1]=4 2562 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [1,1,0,0,0,0|1,0,1]=4 2563 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [1,1,0,0,0,0|1,0,1]=4 2564 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [1,1,0,0,0,0|1,0,1]=4 2565 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [1,1,0,0,0,0|1,0,1]=4 2566 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [1,1,0,0,0,0|1,0,1]=4 2567 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [1,1,0,0,0,0|1,0,1]=4 2568 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [1,1,0,0,0,0|1,0,1]=4 2569 B11R1.16 CN(CC=O)c1ccccc1 2230a_100000210012_200015260668 [1,1,0,0,0,0|1,0,0]=3 2570 B11R1.16 CN(CC=O)c1ccccc1 269982a_100000210012_200015260668 [1,1,0,0,0,0|1,0,0]=3 2571 B11R1.16 CN(CC=O)c1ccccc1 34a_100000210012_200009817547 [1,1,0,0,0,0|1,0,0]=3 2572 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [1,1,0,0,0,0|1,0,1]=4 2573 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [1,1,0,0,0,0|1,0,1]=4 2574 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [1,1,0,0,0,0|1,0,1]=4 2575 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [1,1,0,0,0,0|1,0,1]=4 2576 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [1,1,0,0,0,0|1,0,1]=4 2577 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [1,1,0,0,0,0|1,0,1]=4 2578 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [1,1,0,0,0,0|0,0,2]=4 2579 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [1,1,0,0,0,0|0,0,2]=4 2580 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [1,1,0,0,0,0|0,0,2]=4 2581 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [1,1,0,0,0,0|0,1,1]=4 2582 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [1,1,0,0,0,0|0,1,1]=4 2583 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [1,1,0,0,0,0|1,0,1]=4 2584 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [1,1,0,0,0,0|1,0,1]=4 2585 B11R1.23 CC(N[13CH3])c1cccc(c1)Br 2230a_100020642005_200025704644 [1,1,0,0,0,0|2,0,0]=4 2586 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 2230a_100102723534_200025704644 [1,1,0,0,0,0|2,0,0]=4 2587 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 34a_100102723534_200025704644 [1,1,0,0,0,0|2,0,0]=4 2588 B11R1.23 CC(N[13CH3])c1cccc(c1)O 2230a_100000740644_200025704644 [1,1,0,0,0,0|2,0,0]=4 2589 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 34a_100000246457_200025704644 [1,1,0,0,0,0|2,0,0]=4 2590 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 7a_100000246457_200025704644 [1,1,0,0,0,0|2,0,0]=4 2591 B11R1.23 CC(O[13CH3])c1cccc(c1)F 34a_100000744526_200025704644 [1,1,0,0,0,0|2,0,0]=4 2592 B11R1.23 CC(O[13CH3])c1cccc(c1)F 7a_100000744526_200025704644 [1,1,0,0,0,0|2,0,0]=4 2593 B11R1.23 CC(O[13CH3])c1cccc(c1)I 34a_100013085317_200025704644 [1,1,0,0,0,0|2,0,0]=4 2594 B11R1.23 CC(O[13CH3])c1cccc(c1)I 7a_100013085317_200025704644 [1,1,0,0,0,0|2,0,0]=4 2595 B11R1.23 CC(O[13CH3])c1cccc(c1)N 34a_100011217120_200025704644 [1,1,0,0,0,0|2,0,0]=4 2596 B11R1.23 CC(O[13CH3])c1cccc(c1)N 7a_100011217120_200025704644 [1,1,0,0,0,0|2,0,0]=4 2597 B11R1.23 CNC(C)c1cccc(c1)Br 2230a_100020642005_200000210301 [1,1,0,0,0,0|2,0,0]=4 2598 B11R1.23 CNC(C)c1cccc(c1)Br 269862a_106832991636_100000210093 [1,1,0,0,0,0|2,0,0]=4 2599 B11R1.23 CNC(C)c1cccc(c1)C 269862a_106832991636_100000211476 [1,1,0,0,0,0|2,0,0]=4 2600 B11R1.23 CNC(C)c1cccc(c1)Cl 2230a_100102723534_200000210301 [1,1,0,0,0,0|2,0,0]=4 2601 B11R1.23 CNC(C)c1cccc(c1)Cl 269862a_106832991636_200000210964 [1,1,0,0,0,0|2,0,0]=4 2602 B11R1.23 CNC(C)c1cccc(c1)Cl 34a_100102723534_200000210301 [1,1,0,0,0,0|2,0,0]=4 2603 B11R1.23 CNC(C)c1cccc(c1)F 269862a_106832991636_100000187083 [1,1,0,0,0,0|2,0,0]=4 2604 B11R1.23 CNC(C)c1cccc(c1)I 269862a_106832991636_100011356966 [1,1,0,0,0,0|2,0,0]=4 2605 B11R1.23 CNC(C)c1cccc(c1)O 2230a_100000740644_200000210301 [1,1,0,0,0,0|2,0,0]=4 2606 B11R1.23 CNC(C)c1cccc(c1)O 269862a_106832991636_100000211620 [1,1,0,0,0,0|2,0,0]=4 2607 B11R1.23 CNC(C)c1cccc(c1)O 271570a_203496583355_100025717457 [1,1,0,0,0,0|2,0,0]=4 2608 B11R1.23 CN[C@H](C)c1cccc(c1)C 2230a_100000698126_200000210301 [1,1,0,0,0,0|2,0,0]=4 2609 B11R1.23 CN[C@H](C)c1cccc(c1)C 34a_100000698126_200000210301 [1,1,0,0,0,0|2,0,0]=4 2610 B11R1.23 CN[C@H](C)c1cccc(c1)F 2230a_100015193778_200000210301 [1,1,0,0,0,0|2,0,0]=4 2611 B11R1.23 CN[C@H](C)c1cccc(c1)F 34a_100015193778_200000210301 [1,1,0,0,0,0|2,0,0]=4 2612 B11R1.23 COC(C)c1cccc(c1)Br 34a_100000246457_200000210301 [1,1,0,0,0,0|2,0,0]=4 2613 B11R1.23 COC(C)c1cccc(c1)Br 7a_100000246457_200000210301 [1,1,0,0,0,0|2,0,0]=4 2614 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [1,1,0,0,0,0|2,0,0]=4 2615 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [1,1,0,0,0,0|2,0,0]=4 2616 B11R1.23 COC(C)c1cccc(c1)F 34a_100000744526_200000210301 [1,1,0,0,0,0|2,0,0]=4 2617 B11R1.23 COC(C)c1cccc(c1)F 7a_100000744526_200000210301 [1,1,0,0,0,0|2,0,0]=4 2618 B11R1.23 COC(C)c1cccc(c1)I 34a_100013085317_200000210301 [1,1,0,0,0,0|2,0,0]=4 2619 B11R1.23 COC(C)c1cccc(c1)I 7a_100013085317_200000210301 [1,1,0,0,0,0|2,0,0]=4 2620 B11R1.23 COC(C)c1cccc(c1)N 34a_100011217120_200000210301 [1,1,0,0,0,0|2,0,0]=4 2621 B11R1.23 COC(C)c1cccc(c1)N 7a_100011217120_200000210301 [1,1,0,0,0,0|2,0,0]=4 2622 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_200000210301 [1,1,0,0,0,0|2,0,0]=4 2623 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_200000210301 [1,1,0,0,0,0|2,0,0]=4 2624 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 2230a_100015193778_200025704644 [1,1,0,0,0,0|2,0,0]=4 2625 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 34a_100015193778_200025704644 [1,1,0,0,0,0|2,0,0]=4 2626 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 34a_100000747380_200025704644 [1,1,0,0,0,0|2,0,0]=4 2627 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 7a_100000747380_200025704644 [1,1,0,0,0,0|2,0,0]=4 2628 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [1,1,0,0,0,0|2,0,0]=4 2629 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [1,1,0,0,0,0|2,0,0]=4 2630 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 2230a_100000698126_200025704644 [1,1,0,0,0,0|2,0,0]=4 2631 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 34a_100000698126_200025704644 [1,1,0,0,0,0|2,0,0]=4 2632 B11R1.23 O=CC(=O)c1cccc(c1)O 271570a_203496583355_100000726164 [1,1,0,0,0,0|1,0,1]=4 2633 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [1,1,0,0,0,0|0,0,2]=4 2634 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [1,1,0,0,0,0|0,0,2]=4 2635 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [1,1,0,0,0,0|1,0,1]=4 2636 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [1,1,0,0,0,0|0,0,0]=2 2637 B11R1.36 CC(=O)C(C)c1ccccn1 1458a_100000722050_200000210301 [1,1,0,0,0,0|1,0,0]=3 2638 B11R1.36 CC(=O)C(C)c1cnccn1 1458a_100000070787_200000703233 [1,1,0,0,0,0|2,0,0]=4 2639 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [1,1,0,0,0,0|1,0,0]=3 2640 B11R1.36 CC(=O)N(C)c1ccccc1 11a_100000210012_100015343762 [1,1,0,0,0,0|1,0,0]=3 2641 B11R1.36 CC(=O)N(C)c1ccccc1 1626a_100000210012_100015343762 [1,1,0,0,0,0|1,0,0]=3 2642 B11R1.36 CC(=O)N(C)c1ccccc1 22a_100000210012_100000070787 [1,1,0,0,0,0|1,0,0]=3 2643 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [1,1,0,0,0,0|0,0,0]=2 2644 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,1,0,0,0,0|1,0,0]=3 2645 B11R1.36 CC(C(=O)[13CH3])c1ccccn1 1458a_100000722050_200025704644 [1,1,0,0,0,0|1,0,0]=3 2646 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [1,1,0,0,0,0|2,0,0]=4 2647 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [1,1,0,0,0,0|2,0,0]=4 2648 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [1,1,0,0,0,0|2,0,0]=4 2649 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [1,1,0,0,0,0|2,0,0]=4 2650 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [1,1,0,0,0,0|2,0,0]=4 2651 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [1,1,0,0,0,0|2,0,0]=4 2652 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [1,1,0,0,0,0|0,0,0]=2 2653 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [1,1,0,0,0,0|1,0,0]=3 2654 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,1,0,0,0,0|1,0,0]=3 2655 B11R1.222 CC(C#N)c1ccccc1O 271570a_203496583355_200010232107 [1,1,0,0,0,0|1,0,1]=4 2656 B11R1.222 CC(N[13CH3])c1ccccc1Br 2230a_100000181357_200025704644 [1,1,0,0,0,0|2,0,0]=4 2657 B11R1.222 CC(N[13CH3])c1ccccc1Cl 2230a_100000174978_200025704644 [1,1,0,0,0,0|2,0,0]=4 2658 B11R1.222 CC(N[13CH3])c1ccccc1Cl 34a_100000174978_200025704644 [1,1,0,0,0,0|2,0,0]=4 2659 B11R1.222 CC(N[13CH3])c1ccccc1F 2230a_100000181408_200025704644 [1,1,0,0,0,0|2,0,0]=4 2660 B11R1.222 CC(N[13CH3])c1ccccc1F 34a_100000181408_200025704644 [1,1,0,0,0,0|2,0,0]=4 2661 B11R1.222 CC(O[13CH3])c1ccccc1Br 34a_100000702211_200025704644 [1,1,0,0,0,0|2,0,0]=4 2662 B11R1.222 CC(O[13CH3])c1ccccc1Br 7a_100000702211_200025704644 [1,1,0,0,0,0|2,0,0]=4 2663 B11R1.222 CC(O[13CH3])c1ccccc1Cl 34a_100000740796_200025704644 [1,1,0,0,0,0|2,0,0]=4 2664 B11R1.222 CC(O[13CH3])c1ccccc1Cl 7a_100000740796_200025704644 [1,1,0,0,0,0|2,0,0]=4 2665 B11R1.222 CC(O[13CH3])c1ccccc1F 34a_100000697922_200025704644 [1,1,0,0,0,0|2,0,0]=4 2666 B11R1.222 CC(O[13CH3])c1ccccc1F 7a_100000697922_200025704644 [1,1,0,0,0,0|2,0,0]=4 2667 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [1,1,0,0,0,0|2,0,0]=4 2668 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_100000181259_200025704644 [1,1,0,0,0,0|2,0,0]=4 2669 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_200025704644_100000181259 [1,1,0,0,0,0|2,0,0]=4 2670 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200000741388_200025704644 [1,1,0,0,0,0|2,0,0]=4 2671 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200025704644_200000741388 [1,1,0,0,0,0|2,0,0]=4 2672 B11R1.222 CNC(C)c1ccccc1Br 2230a_100000181357_200000210301 [1,1,0,0,0,0|2,0,0]=4 2673 B11R1.222 CNC(C)c1ccccc1Br 269862a_106832991636_100000187085 [1,1,0,0,0,0|2,0,0]=4 2674 B11R1.222 CNC(C)c1ccccc1C 2230a_100000181355_200000210301 [1,1,0,0,0,0|2,0,0]=4 2675 B11R1.222 CNC(C)c1ccccc1C 269862a_106832991636_100000211656 [1,1,0,0,0,0|2,0,0]=4 2676 B11R1.222 CNC(C)c1ccccc1C 34a_100000181355_200000210301 [1,1,0,0,0,0|2,0,0]=4 2677 B11R1.222 CNC(C)c1ccccc1Cl 2230a_100000174978_200000210301 [1,1,0,0,0,0|2,0,0]=4 2678 B11R1.222 CNC(C)c1ccccc1Cl 2230a_106832991635_100000181259 [1,1,0,0,0,0|2,0,0]=4 2679 B11R1.222 CNC(C)c1ccccc1Cl 269862a_106832991636_100000210134 [1,1,0,0,0,0|2,0,0]=4 2680 B11R1.222 CNC(C)c1ccccc1Cl 34a_100000174978_200000210301 [1,1,0,0,0,0|2,0,0]=4 2681 B11R1.222 CNC(C)c1ccccc1Cl 7a_106832991635_100000181259 [1,1,0,0,0,0|2,0,0]=4 2682 B11R1.222 CNC(C)c1ccccc1F 2230a_100000181408_200000210301 [1,1,0,0,0,0|2,0,0]=4 2683 B11R1.222 CNC(C)c1ccccc1F 2230a_106832991635_200000741388 [1,1,0,0,0,0|2,0,0]=4 2684 B11R1.222 CNC(C)c1ccccc1F 269862a_106832991636_100000210632 [1,1,0,0,0,0|2,0,0]=4 2685 B11R1.222 CNC(C)c1ccccc1F 34a_100000181408_200000210301 [1,1,0,0,0,0|2,0,0]=4 2686 B11R1.222 CNC(C)c1ccccc1F 34a_100102657272_200000741388 [1,1,0,0,0,0|2,0,0]=4 2687 B11R1.222 CNC(C)c1ccccc1F 7a_106832991635_200000741388 [1,1,0,0,0,0|2,0,0]=4 2688 B11R1.222 CNC(C)c1ccccc1I 269862a_106832991636_100000751169 [1,1,0,0,0,0|2,0,0]=4 2689 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [1,1,0,0,0,0|2,0,0]=4 2690 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [1,1,0,0,0,0|2,0,0]=4 2691 B11R1.222 COC(C)c1ccccc1Br 34a_100000702211_200000210301 [1,1,0,0,0,0|2,0,0]=4 2692 B11R1.222 COC(C)c1ccccc1Br 7a_100000702211_200000210301 [1,1,0,0,0,0|2,0,0]=4 2693 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [1,1,0,0,0,0|2,0,0]=4 2694 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [1,1,0,0,0,0|2,0,0]=4 2695 B11R1.222 COC(C)c1ccccc1Cl 34a_100000740796_200000210301 [1,1,0,0,0,0|2,0,0]=4 2696 B11R1.222 COC(C)c1ccccc1Cl 7a_100000740796_200000210301 [1,1,0,0,0,0|2,0,0]=4 2697 B11R1.222 COC(C)c1ccccc1F 34a_100000697922_200000210301 [1,1,0,0,0,0|2,0,0]=4 2698 B11R1.222 COC(C)c1ccccc1F 34a_100138415774_200000741388 [1,1,0,0,0,0|2,0,0]=4 2699 B11R1.222 COC(C)c1ccccc1F 7a_100000697922_200000210301 [1,1,0,0,0,0|2,0,0]=4 2700 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [1,1,0,0,0,0|2,0,0]=4 2701 B11R1.222 CSC(C)c1ccccc1Cl 62a_100000181259_200000210301 [1,1,0,0,0,0|2,0,0]=4 2702 B11R1.222 CSC(C)c1ccccc1Cl 62a_200000210301_100000181259 [1,1,0,0,0,0|2,0,0]=4 2703 B11R1.222 CSC(C)c1ccccc1F 62a_200000210301_200000741388 [1,1,0,0,0,0|2,0,0]=4 2704 B11R1.222 CSC(C)c1ccccc1F 62a_200000741388_200000210301 [1,1,0,0,0,0|2,0,0]=4 2705 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [1,1,0,0,0,0|2,0,0]=4 2706 B11R1.222 Cc1ccccc1C(C)N[13CH3] 2230a_100000181355_200025704644 [1,1,0,0,0,0|2,0,0]=4 2707 B11R1.222 Cc1ccccc1C(C)N[13CH3] 34a_100000181355_200025704644 [1,1,0,0,0,0|2,0,0]=4 2708 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [1,1,0,0,0,0|2,0,0]=4 2709 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [1,1,0,0,0,0|2,0,0]=4 2710 B11R1.314 CC(=O)C(C)n1cc(cn1)C 1458a_100102887401_200000210301 [0,1,0,0,1,0|2,0,0]=4 2711 B11R1.314 Cc1cnn(c1)C(C)C(=O)[13CH3] 1458a_100102887401_200025704644 [0,1,0,0,1,0|2,0,0]=4 2712 B13R1.5 C#CC(C)Nc1ccc(cc1)CC 34a_100000211069_200000035995 [0,1,0,0,0,1|1,0,1]=4 2713 B13R1.5 C#CC(C)Nc1ccc(cc1)CO 34a_100011215238_200000035995 [0,1,0,0,0,1|1,0,1]=4 2714 B13R1.5 C#CC(C)Nc1ccc(cc1)OC 34a_100000184247_200000035995 [0,1,0,0,0,1|1,0,1]=4 2715 B13R1.5 C#CC(C)Nc1ccc(cc1)SC 34a_100000212337_200000035995 [0,1,0,0,0,1|1,0,1]=4 2716 B13R1.5 C#CC(C)Oc1ccc(cc1)CC 34a_100000211359_200000035995 [0,1,0,0,0,1|1,0,1]=4 2717 B13R1.5 C#CC(C)Oc1ccc(cc1)CN 34a_100000185549_200000035995 [0,1,0,0,0,1|1,0,1]=4 2718 B13R1.5 C#CC(C)Oc1ccc(cc1)CO 34a_100000211755_200000035995 [0,1,0,0,0,1|1,0,1]=4 2719 B13R1.5 C#CC(C)Oc1ccc(cc1)NC 34a_100000182112_200000035995 [0,1,0,0,0,1|1,0,1]=4 2720 B13R1.5 C#CC(C)Oc1ccc(cc1)OC 34a_100000210503_200000035995 [0,1,0,0,0,1|1,0,1]=4 2721 B13R1.5 C#CC(C)Oc1ccc(cc1)SC 34a_100000211864_200000035995 [0,1,0,0,0,1|1,0,1]=4 2722 B13R1.5 C#CC(C)Sc1ccc(cc1)CC 62a_200000035995_100011215824 [0,1,0,0,0,1|1,0,1]=4 2723 B13R1.5 C#CC(C)Sc1ccc(cc1)CF 62a_200000035995_100010268989 [0,1,0,0,0,1|1,0,1]=4 2724 B13R1.5 C#CC(C)Sc1ccc(cc1)CN 62a_200000035995_100016989417 [0,1,0,0,0,1|1,0,1]=4 2725 B13R1.5 C#CC(C)Sc1ccc(cc1)CO 62a_200000035995_100000690907 [0,1,0,0,0,1|1,0,1]=4 2726 B13R1.5 C#CC(C)Sc1ccc(cc1)NC 62a_200000035995_100000743151 [0,1,0,0,0,1|1,0,1]=4 2727 B13R1.5 C#CC(C)Sc1ccc(cc1)OC 62a_200000035995_100000171711 [0,1,0,0,0,1|1,0,1]=4 2728 B13R1.5 C#CC(C)Sc1ccc(cc1)SC 62a_200000035995_100011263217 [0,1,0,0,0,1|1,0,1]=4 2729 B13R1.5 C=CC(C)Sc1ccc(cc1)C#N 62a_100011215867_100000184291 [0,1,0,0,0,1|1,0,1]=4 2730 B13R1.5 C=CC(C)Sc1ccc(cc1)C=O 62a_100011215867_100000188517 [0,1,0,0,0,1|1,0,1]=4 2731 B13R1.5 C=CC(C)Sc1ccc(cc1)CC 62a_100011215867_100011215824 [0,1,0,0,0,1|1,0,0]=3 2732 B13R1.5 C=CC(C)Sc1ccc(cc1)CF 62a_100011215867_100010268989 [0,1,0,0,0,1|1,0,0]=3 2733 B13R1.5 C=CC(C)Sc1ccc(cc1)CN 62a_100011215867_100016989417 [0,1,0,0,0,1|1,0,0]=3 2734 B13R1.5 C=CC(C)Sc1ccc(cc1)CO 62a_100011215867_100000690907 [0,1,0,0,0,1|1,0,0]=3 2735 B13R1.5 C=CC(C)Sc1ccc(cc1)NC 62a_100011215867_100000743151 [0,1,0,0,0,1|1,0,0]=3 2736 B13R1.5 C=CC(C)Sc1ccc(cc1)NN 62a_100011215867_100016988836 [0,1,0,0,0,1|2,0,0]=4 2737 B13R1.5 C=CC(C)Sc1ccc(cc1)OC 62a_100011215867_100000171711 [0,1,0,0,0,1|1,0,0]=3 2738 B13R1.5 C=CC(C)Sc1ccc(cc1)SC 62a_100011215867_100011263217 [0,1,0,0,0,1|1,0,0]=3 2739 B13R1.5 C=CC(C)Sc1ccc(cn1)CC 62a_100011215867_100009843584 [0,1,0,0,0,1|2,0,0]=4 2740 B13R1.5 C=CC(C)Sc1ccc(cn1)CN 62a_100011215867_100000735879 [0,1,0,0,0,1|2,0,0]=4 2741 B13R1.5 C=CC(C)Sc1ccc(cn1)CO 62a_100011215867_100009816760 [0,1,0,0,0,1|2,0,0]=4 2742 B13R1.5 C=CC(C)Sc1ccc(cn1)NC 62a_100011215867_100000764248 [0,1,0,0,0,1|2,0,0]=4 2743 B13R1.5 C=CC(C)Sc1ccc(cn1)OC 62a_100011215867_100000744180 [0,1,0,0,0,1|2,0,0]=4 2744 B13R1.5 C=CC(C)Sc1ccc(cn1)SC 62a_100011215867_100009820866 [0,1,0,0,0,1|2,0,0]=4 2745 B13R1.5 C=CC(C)Sc1ccc(nc1)CC 62a_100011215867_100009820025 [0,1,0,0,0,1|2,0,0]=4 2746 B13R1.5 C=CC(C)Sc1ccc(nc1)CN 62a_100011215867_100015188789 [0,1,0,0,0,1|2,0,0]=4 2747 B13R1.5 C=CC(C)Sc1ccc(nc1)CO 62a_100011215867_100000754261 [0,1,0,0,0,1|2,0,0]=4 2748 B13R1.5 C=CC(C)Sc1ccc(nc1)NC 62a_100011215867_100000741341 [0,1,0,0,0,1|2,0,0]=4 2749 B13R1.5 C=CC(C)Sc1ccc(nc1)OC 62a_100011215867_100000047065 [0,1,0,0,0,1|2,0,0]=4 2750 B13R1.5 C=CC(C)Sc1ccc(nc1)SC 62a_100011215867_100011408404 [0,1,0,0,0,1|2,0,0]=4 2751 B13R1.5 C=Cc1ccc(cc1)SC(C)C=C 62a_100011215867_100000748128 [0,1,0,0,0,1|1,0,1]=4 2752 B13R1.5 CC(C#N)Nc1ccc(cc1)CO 2230a_100011215238_100000184139 [0,1,0,0,0,1|1,0,1]=4 2753 B13R1.5 CC(C#N)Sc1ccc(cc1)CF 62a_100000703298_100010268989 [0,1,0,0,0,1|1,0,1]=4 2754 B13R1.5 CC(C#N)Sc1ccc(cc1)CF 62a_100010268989_100000703298 [0,1,0,0,0,1|1,0,1]=4 2755 B13R1.5 CC(C#N)Sc1ccc(cc1)CN 62a_100000703298_100016989417 [0,1,0,0,0,1|1,0,1]=4 2756 B13R1.5 CC(C#N)Sc1ccc(cc1)CN 62a_100016989417_100000703298 [0,1,0,0,0,1|1,0,1]=4 2757 B13R1.5 CC(C#N)Sc1ccc(cc1)CO 62a_100000690907_100000703298 [0,1,0,0,0,1|1,0,1]=4 2758 B13R1.5 CC(C#N)Sc1ccc(cc1)CO 62a_100000703298_100000690907 [0,1,0,0,0,1|1,0,1]=4 2759 B13R1.5 CC(CO)Nc1ccc(cc1)CO 2230a_100011215238_100012180447 [0,1,0,0,0,1|0,0,2]=4 2760 B13R1.5 CC(CO)Nc1ccc(cc1)CO 34a_100011215238_100012180447 [0,1,0,0,0,1|0,0,2]=4 2761 B13R1.5 CC(CO)Oc1ccc(cc1)CN 34a_100000185549_100012180447 [0,1,0,0,0,1|0,0,2]=4 2762 B13R1.5 CC(CO)Oc1ccc(cc1)CO 34a_100000211755_100012180447 [0,1,0,0,0,1|0,0,2]=4 2763 B13R1.5 CC(CO)Sc1ccc(cc1)CF 62a_100012180447_100010268989 [0,1,0,0,0,1|0,0,2]=4 2764 B13R1.5 CC(CO)Sc1ccc(cc1)CN 62a_100012180447_100016989417 [0,1,0,0,0,1|0,0,2]=4 2765 B13R1.5 CC(CO)Sc1ccc(cc1)CO 62a_100012180447_100000690907 [0,1,0,0,0,1|0,0,2]=4 2766 B13R1.5 CCC(C)Nc1ccc(cc1)CO 2230a_100011215238_100000758301 [0,1,0,0,0,1|1,0,1]=4 2767 B13R1.5 CCC(C)Nc1ccc(cc1)CO 34a_100011215238_100011215416 [0,1,0,0,0,1|1,0,1]=4 2768 B13R1.5 CCC(C)Nc1ccc(cc1)OC 34a_100000184247_100011215416 [0,1,0,0,0,1|1,0,1]=4 2769 B13R1.5 CCC(C)Nc1ccc(cc1)SC 34a_100000212337_100011215416 [0,1,0,0,0,1|1,0,1]=4 2770 B13R1.5 CCC(C)Oc1ccc(cc1)CN 34a_100000185549_100011215416 [0,1,0,0,0,1|1,0,1]=4 2771 B13R1.5 CCC(C)Oc1ccc(cc1)CO 34a_100000211755_100011215416 [0,1,0,0,0,1|1,0,1]=4 2772 B13R1.5 CCC(C)Oc1ccc(cc1)NC 34a_100000182112_100011215416 [0,1,0,0,0,1|1,0,1]=4 2773 B13R1.5 CCC(C)Oc1ccc(cc1)NC 34a_100000743956_200000210301 [0,1,0,0,0,1|1,0,1]=4 2774 B13R1.5 CCC(C)Oc1ccc(cc1)NC 7a_100000743956_200000210301 [0,1,0,0,0,1|1,0,1]=4 2775 B13R1.5 CCC(C)Oc1ccc(cc1)N[13CH3] 34a_100000743956_200025704644 [0,1,0,0,0,1|1,0,1]=4 2776 B13R1.5 CCC(C)Oc1ccc(cc1)N[13CH3] 7a_100000743956_200025704644 [0,1,0,0,0,1|1,0,1]=4 2777 B13R1.5 CCC(C)Oc1ccc(cc1)OC 34a_100000210503_100011215416 [0,1,0,0,0,1|1,0,1]=4 2778 B13R1.5 CCC(C)Oc1ccc(cc1)SC 34a_100000211864_100011215416 [0,1,0,0,0,1|1,0,1]=4 2779 B13R1.5 CCC(C)Sc1ccc(cc1)CF 62a_100000758301_100010268989 [0,1,0,0,0,1|1,0,1]=4 2780 B13R1.5 CCC(C)Sc1ccc(cc1)CF 62a_100010268989_100000758301 [0,1,0,0,0,1|1,0,1]=4 2781 B13R1.5 CCC(C)Sc1ccc(cc1)CN 62a_100000758301_100016989417 [0,1,0,0,0,1|1,0,1]=4 2782 B13R1.5 CCC(C)Sc1ccc(cc1)CN 62a_100016989417_100000758301 [0,1,0,0,0,1|1,0,1]=4 2783 B13R1.5 CCC(C)Sc1ccc(cc1)CO 62a_100000690907_100000758301 [0,1,0,0,0,1|1,0,1]=4 2784 B13R1.5 CCC(C)Sc1ccc(cc1)CO 62a_100000758301_100000690907 [0,1,0,0,0,1|1,0,1]=4 2785 B13R1.5 CCC(C)Sc1ccc(cc1)NC 62a_100000743151_100000758301 [0,1,0,0,0,1|1,0,1]=4 2786 B13R1.5 CCC(C)Sc1ccc(cc1)NC 62a_100000758301_100000743151 [0,1,0,0,0,1|1,0,1]=4 2787 B13R1.5 CCC(C)Sc1ccc(cc1)OC 62a_100000758301_100000171711 [0,1,0,0,0,1|1,0,1]=4 2788 B13R1.5 CCC(C)Sc1ccc(cc1)SC 62a_100000758301_100011263217 [0,1,0,0,0,1|1,0,1]=4 2789 B13R1.5 CCC(C)Sc1ccc(cc1)SC 62a_100011263217_100000758301 [0,1,0,0,0,1|1,0,1]=4 2790 B13R1.5 CCc1ccc(cc1)NC(C)C#N 2230a_100000211069_100000184139 [0,1,0,0,0,1|1,0,1]=4 2791 B13R1.5 CCc1ccc(cc1)NC(C)CC 2230a_100000211069_100000758301 [0,1,0,0,0,1|1,0,1]=4 2792 B13R1.5 CCc1ccc(cc1)NC(C)CC 34a_100000211069_100011215416 [0,1,0,0,0,1|1,0,1]=4 2793 B13R1.5 CCc1ccc(cc1)NC(C)CO 2230a_100000211069_100012180447 [0,1,0,0,0,1|0,0,2]=4 2794 B13R1.5 CCc1ccc(cc1)NC(C)CO 34a_100000211069_100012180447 [0,1,0,0,0,1|0,0,2]=4 2795 B13R1.5 CCc1ccc(cc1)OC(C)C#N 7a_100000211359_100000703298 [0,1,0,0,0,1|1,0,1]=4 2796 B13R1.5 CCc1ccc(cc1)OC(C)CC 34a_100000211359_100011215416 [0,1,0,0,0,1|1,0,1]=4 2797 B13R1.5 CCc1ccc(cc1)OC(C)CC 7a_100000211359_100000758301 [0,1,0,0,0,1|1,0,1]=4 2798 B13R1.5 CCc1ccc(cc1)OC(C)CO 34a_100000211359_100012180447 [0,1,0,0,0,1|0,0,2]=4 2799 B13R1.5 CCc1ccc(cc1)OC(C)CO 7a_100000211359_100012180447 [0,1,0,0,0,1|0,0,2]=4 2800 B13R1.5 CCc1ccc(cc1)SC(C)C#N 62a_100000703298_100011215824 [0,1,0,0,0,1|1,0,1]=4 2801 B13R1.5 CCc1ccc(cc1)SC(C)C#N 62a_100011215824_100000703298 [0,1,0,0,0,1|1,0,1]=4 2802 B13R1.5 CCc1ccc(cc1)SC(C)CC 62a_100000758301_100011215824 [0,1,0,0,0,1|1,0,1]=4 2803 B13R1.5 CCc1ccc(cc1)SC(C)CC 62a_100011215824_100000758301 [0,1,0,0,0,1|1,0,1]=4 2804 B13R1.5 CCc1ccc(cc1)SC(C)CO 62a_100012180447_100011215824 [0,1,0,0,0,1|0,0,2]=4 2805 B13R1.5 CCc1ccc(cc1)SC(C)OC 62a_100009879195_100011215824 [0,1,0,0,0,1|2,0,0]=4 2806 B13R1.5 CCc1ccc(cc1)SC(C)OC 62a_100011215824_100009879195 [0,1,0,0,0,1|2,0,0]=4 2807 B13R1.5 CCc1ccc(cc1)S[C@H](C)CO 62a_100011215824_100016084084 [0,1,0,0,0,1|0,0,2]=4 2808 B13R1.5 CCc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100011215824 [0,1,0,0,0,1|0,0,2]=4 2809 B13R1.5 CNC(C)Cc1ccc(cc1)OC 270004a_106832991635_100000211147 [0,1,0,0,0,1|2,0,0]=4 2810 B13R1.5 CNc1ccc(cc1)OC(C)CO 34a_100000182112_100012180447 [0,1,0,0,0,1|0,0,2]=4 2811 B13R1.5 CNc1ccc(cc1)SC(C)C#N 62a_100000703298_100000743151 [0,1,0,0,0,1|1,0,1]=4 2812 B13R1.5 CNc1ccc(cc1)SC(C)C#N 62a_100000743151_100000703298 [0,1,0,0,0,1|1,0,1]=4 2813 B13R1.5 CNc1ccc(cc1)SC(C)CO 62a_100012180447_100000743151 [0,1,0,0,0,1|0,0,2]=4 2814 B13R1.5 CNc1ccc(cc1)SC(C)OC 62a_100000743151_100009879195 [0,1,0,0,0,1|2,0,0]=4 2815 B13R1.5 CNc1ccc(cc1)SC(C)OC 62a_100009879195_100000743151 [0,1,0,0,0,1|2,0,0]=4 2816 B13R1.5 CNc1ccc(cc1)S[C@H](C)CO 62a_100000743151_100016084084 [0,1,0,0,0,1|0,0,2]=4 2817 B13R1.5 CNc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000743151 [0,1,0,0,0,1|0,0,2]=4 2818 B13R1.5 COC(C)Sc1ccc(cc1)CF 62a_100009879195_100010268989 [0,1,0,0,0,1|2,0,0]=4 2819 B13R1.5 COC(C)Sc1ccc(cc1)CF 62a_100010268989_100009879195 [0,1,0,0,0,1|2,0,0]=4 2820 B13R1.5 COC(C)Sc1ccc(cc1)CN 62a_100009879195_100016989417 [0,1,0,0,0,1|2,0,0]=4 2821 B13R1.5 COC(C)Sc1ccc(cc1)CN 62a_100016989417_100009879195 [0,1,0,0,0,1|2,0,0]=4 2822 B13R1.5 COC(C)Sc1ccc(cc1)CO 62a_100000690907_100009879195 [0,1,0,0,0,1|2,0,0]=4 2823 B13R1.5 COC(C)Sc1ccc(cc1)CO 62a_100009879195_100000690907 [0,1,0,0,0,1|2,0,0]=4 2824 B13R1.5 COC(C)Sc1ccc(cc1)SC 62a_100009879195_100011263217 [0,1,0,0,0,1|2,0,0]=4 2825 B13R1.5 COC(C)Sc1ccc(cc1)SC 62a_100011263217_100009879195 [0,1,0,0,0,1|2,0,0]=4 2826 B13R1.5 COc1ccc(cc1)NC(C)CO 34a_100000184247_100012180447 [0,1,0,0,0,1|0,0,2]=4 2827 B13R1.5 COc1ccc(cc1)OC(C)CO 34a_100000210503_100012180447 [0,1,0,0,0,1|0,0,2]=4 2828 B13R1.5 COc1ccc(cc1)SC(C)C#N 62a_100000703298_100000171711 [0,1,0,0,0,1|1,0,1]=4 2829 B13R1.5 COc1ccc(cc1)SC(C)CO 62a_100012180447_100000171711 [0,1,0,0,0,1|0,0,2]=4 2830 B13R1.5 COc1ccc(cc1)SC(C)OC 62a_100009879195_100000171711 [0,1,0,0,0,1|2,0,0]=4 2831 B13R1.5 COc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000171711 [0,1,0,0,0,1|0,0,2]=4 2832 B13R1.5 CSc1ccc(cc1)NC(C)CO 34a_100000212337_100012180447 [0,1,0,0,0,1|0,0,2]=4 2833 B13R1.5 CSc1ccc(cc1)OC(C)CO 34a_100000211864_100012180447 [0,1,0,0,0,1|0,0,2]=4 2834 B13R1.5 CSc1ccc(cc1)SC(C)C#N 62a_100000703298_100011263217 [0,1,0,0,0,1|1,0,1]=4 2835 B13R1.5 CSc1ccc(cc1)SC(C)C#N 62a_100011263217_100000703298 [0,1,0,0,0,1|1,0,1]=4 2836 B13R1.5 CSc1ccc(cc1)SC(C)CO 62a_100012180447_100011263217 [0,1,0,0,0,1|0,0,2]=4 2837 B13R1.5 CSc1ccc(cc1)S[C@H](C)CO 62a_100011263217_100016084084 [0,1,0,0,0,1|0,0,2]=4 2838 B13R1.5 CSc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100011263217 [0,1,0,0,0,1|0,0,2]=4 2839 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CF 62a_100010268989_100016084084 [0,1,0,0,0,1|0,0,2]=4 2840 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CF 62a_100016084084_100010268989 [0,1,0,0,0,1|0,0,2]=4 2841 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CN 62a_100016084084_100016989417 [0,1,0,0,0,1|0,0,2]=4 2842 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CN 62a_100016989417_100016084084 [0,1,0,0,0,1|0,0,2]=4 2843 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CO 62a_100000690907_100016084084 [0,1,0,0,0,1|0,0,2]=4 2844 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CO 62a_100016084084_100000690907 [0,1,0,0,0,1|0,0,2]=4 2845 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 2230a_100000196234_200000210301 [0,1,0,0,0,1|2,0,0]=4 2846 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 2230a_100000225617_100000210814 [0,1,0,0,0,1|2,0,0]=4 2847 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000210623 [0,1,0,0,0,1|2,0,0]=4 2848 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 269982a_100000196234_200000210301 [0,1,0,0,0,1|2,0,0]=4 2849 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 269982a_100000225617_100000210814 [0,1,0,0,0,1|2,0,0]=4 2850 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000210623 [0,1,0,0,0,1|2,0,0]=4 2851 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 26a_100000225617_200020625495 [0,1,0,0,0,1|2,0,0]=4 2852 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 270004a_100000225617_100000211033 [0,1,0,0,0,1|2,0,0]=4 2853 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 34a_100000196234_200000210301 [0,1,0,0,0,1|2,0,0]=4 2854 B13R1.19 C=CCN(C)Cc1ccc(cc1)C 34a_100000744650_100015514636 [0,1,0,0,0,1|2,0,0]=4 2855 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)C 2230a_100000196234_200025704644 [0,1,0,0,0,1|2,0,0]=4 2856 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)C 269982a_100000196234_200025704644 [0,1,0,0,0,1|2,0,0]=4 2857 B13R1.19 C=CCN([13CH3])Cc1ccc(cc1)C 34a_100000196234_200025704644 [0,1,0,0,0,1|2,0,0]=4 2858 B13R1.19 CCCC(C)Nc1ccc(cc1)C 34a_100000124888_100000766640 [0,1,0,0,0,1|1,0,1]=4 2859 B13R1.19 CCCC(C)Oc1ccc(cc1)C 34a_100000210336_100000766640 [0,1,0,0,0,1|1,0,1]=4 2860 B13R1.19 CCCC(C)Oc1ccc(cc1)C 7a_100000210336_100000766640 [0,1,0,0,0,1|1,0,1]=4 2861 B13R1.19 CCCC(C)Sc1ccc(cc1)C 62a_100000186775_100000766640 [0,1,0,0,0,1|1,0,1]=4 2862 B13R1.19 CCCC(C)Sc1ccc(cc1)C 62a_100000766640_100000186775 [0,1,0,0,0,1|1,0,1]=4 2863 B13R1.19 CCNC(C)Cc1ccc(cc1)C 270004a_100015525214_100000751045 [0,1,0,0,0,1|1,0,1]=4 2864 B13R1.19 CN(CC=O)Cc1ccc(cc1)Br 2230a_100000180866_200015260668 [0,1,0,0,0,1|2,0,0]=4 2865 B13R1.19 CN(CC=O)Cc1ccc(cc1)Br 269982a_100000180866_200015260668 [0,1,0,0,0,1|2,0,0]=4 2866 B13R1.19 CN(CC=O)Cc1ccc(cc1)Cl 2230a_100000184517_200015260668 [0,1,0,0,0,1|2,0,0]=4 2867 B13R1.19 CN(CC=O)Cc1ccc(cc1)Cl 269982a_100000184517_200015260668 [0,1,0,0,0,1|2,0,0]=4 2868 B13R1.19 CN(CC=O)Cc1ccc(cc1)Cl 34a_100000184517_200009817547 [0,1,0,0,0,1|2,0,0]=4 2869 B13R1.19 CN(CC=O)Cc1ccc(cc1)F 2230a_100000184576_200015260668 [0,1,0,0,0,1|2,0,0]=4 2870 B13R1.19 CN(CC=O)Cc1ccc(cc1)F 269982a_100000184576_200015260668 [0,1,0,0,0,1|2,0,0]=4 2871 B13R1.19 CN(CC=O)Cc1ccc(cc1)F 34a_100000184576_200009817547 [0,1,0,0,0,1|2,0,0]=4 2872 B13R1.19 CN(CC=O)Cc1ccc(cc1)O 2230a_100000207500_200015260668 [0,1,0,0,0,1|2,0,0]=4 2873 B13R1.19 CN(CC=O)Cc1ccc(cc1)O 269982a_100000207500_200015260668 [0,1,0,0,0,1|2,0,0]=4 2874 B13R1.19 CNCC(C)Oc1ccc(cc1)C 2230a_100000763606_200000210301 [0,1,0,0,0,1|1,0,1]=4 2875 B13R1.19 CNCC(C)Oc1ccc(cc1)C 34a_100000763606_200000210301 [0,1,0,0,0,1|1,0,1]=4 2876 B13R1.19 COCC(C)Nc1ccc(cc1)C 34a_100000124888_100000765312 [0,1,0,0,0,1|0,0,2]=4 2877 B13R1.19 COCC(C)Oc1ccc(cc1)C 34a_100000210336_100000765312 [0,1,0,0,0,1|0,0,2]=4 2878 B13R1.19 COCC(C)Oc1ccc(cc1)C 7a_100000210336_100000765312 [0,1,0,0,0,1|0,0,2]=4 2879 B13R1.19 COCC(C)Sc1ccc(cc1)C 62a_100000186775_100000765312 [0,1,0,0,0,1|0,0,2]=4 2880 B13R1.19 COCC(C)Sc1ccc(cc1)C 62a_100000765312_100000186775 [0,1,0,0,0,1|0,0,2]=4 2881 B13R1.19 Cc1ccc(cc1)CN(C)CC=O 2230a_100000744650_200015260668 [0,1,0,0,0,1|1,0,0]=3 2882 B13R1.19 Cc1ccc(cc1)CN(C)CC=O 269982a_100000744650_200015260668 [0,1,0,0,0,1|1,0,0]=3 2883 B13R1.19 Cc1ccc(cc1)CN(C)CC=O 34a_100000744650_200009817547 [0,1,0,0,0,1|1,0,0]=3 2884 B13R1.19 Cc1ccc(cc1)NC(C)CCO 34a_100000124888_100009893172 [0,1,0,0,0,1|0,0,2]=4 2885 B13R1.19 Cc1ccc(cc1)OC(C)CC#N 7a_100000210336_100009813641 [0,1,0,0,0,1|1,0,1]=4 2886 B13R1.19 Cc1ccc(cc1)OC(C)CCO 34a_100000210336_100009893172 [0,1,0,0,0,1|0,0,2]=4 2887 B13R1.19 Cc1ccc(cc1)OC(C)CCO 7a_100000210336_100009893172 [0,1,0,0,0,1|0,0,2]=4 2888 B13R1.19 Cc1ccc(cc1)OC(C)CN[13CH3] 2230a_100000763606_200025704644 [0,1,0,0,0,1|1,0,1]=4 2889 B13R1.19 Cc1ccc(cc1)OC(C)CN[13CH3] 34a_100000763606_200025704644 [0,1,0,0,0,1|1,0,1]=4 2890 B13R1.19 Cc1ccc(cc1)SC(C)CC#N 62a_100000186775_100009813641 [0,1,0,0,0,1|1,0,1]=4 2891 B13R1.19 Cc1ccc(cc1)SC(C)CC#N 62a_100009813641_100000186775 [0,1,0,0,0,1|1,0,1]=4 2892 B13R1.19 Cc1ccc(cc1)SC(C)CCO 62a_100000186775_100009893172 [0,1,0,0,0,1|0,0,2]=4 2893 B13R1.19 Cc1ccc(cc1)SC(C)CCO 62a_100009893172_100000186775 [0,1,0,0,0,1|0,0,2]=4 2894 B13R1.19 Cc1ccc(cn1)CN(C)CC=O 2230a_106623407658_200015260668 [0,1,0,0,0,1|2,0,0]=4 2895 B13R1.19 Cc1ccc(cn1)CN(C)CC=O 269982a_106623407658_200015260668 [0,1,0,0,0,1|2,0,0]=4 2896 B13R1.19 Cc1ccc(cn1)CN(C)CC=O 34a_106623407658_200009817547 [0,1,0,0,0,1|2,0,0]=4 2897 B13R1.19 Cc1ccc(nc1)CN(C)CC=O 2230a_200000717808_200015260668 [0,1,0,0,0,1|2,0,0]=4 2898 B13R1.19 Cc1ccc(nc1)CN(C)CC=O 269982a_200000717808_200015260668 [0,1,0,0,0,1|2,0,0]=4 2899 B13R1.21 C#CC(C)C(=O)c1ccc(cc1)C 1458a_100000188618_200000035995 [0,1,0,0,0,1|1,0,1]=4 2900 B13R1.21 C#CC(C)N(C)c1ccc(cc1)C 34a_100000219977_200000035995 [0,1,0,0,0,1|1,0,1]=4 2901 B13R1.21 C=CC(C)N(C)c1ccc(cc1)Br 269982a_100000219623_100011215867 [0,1,0,0,0,1|2,0,0]=4 2902 B13R1.21 C=CC(C)N(C)c1ccc(cc1)C 269982a_100000219977_100011215867 [0,1,0,0,0,1|1,0,0]=3 2903 B13R1.21 C=CC(C)N(C)c1ccc(cc1)Cl 269982a_100020629279_100011215867 [0,1,0,0,0,1|2,0,0]=4 2904 B13R1.21 C=CC(C)N(C)c1ccc(cc1)F 269982a_100000219829_100011215867 [0,1,0,0,0,1|2,0,0]=4 2905 B13R1.21 C=CC(C)N(C)c1ccc(cc1)I 269982a_100000743151_100011215867 [0,1,0,0,0,1|2,0,0]=4 2906 B13R1.21 C=CC(C)N(C)c1ccc(cc1)O 269982a_100000182112_100011215867 [0,1,0,0,0,1|2,0,0]=4 2907 B13R1.21 CCC(C)C(=O)c1ccc(cc1)C 1458a_100000188618_100000758301 [0,1,0,0,0,1|1,0,1]=4 2908 B13R1.21 CCC(C)N(C)c1ccc(cc1)C 2230a_100000219977_100000758301 [0,1,0,0,0,1|1,0,1]=4 2909 B13R1.21 CCC(C)N(C)c1ccc(cc1)C 269982a_100000219977_100000758301 [0,1,0,0,0,1|1,0,1]=4 2910 B13R1.21 CCC(C)N(C)c1ccc(cc1)C 34a_100000219977_100011215416 [0,1,0,0,0,1|1,0,1]=4 2911 B13R1.21 CNC(C)C(=O)c1ccc(cc1)C 2230a_106832991635_100000726416 [0,1,0,0,0,1|2,0,0]=4 2912 B13R1.21 CNC(C)C(=O)c1ccc(cc1)C 34a_100102657272_100000726416 [0,1,0,0,0,1|2,0,0]=4 2913 B13R1.21 CNC(C)C(=O)c1ccc(cc1)C 7a_106832991635_100000183984 [0,1,0,0,0,1|2,0,0]=4 2914 B13R1.21 COC(C)C(=O)c1ccc(cc1)C 34a_100138415774_100000726416 [0,1,0,0,0,1|2,0,0]=4 2915 B13R1.21 COC(C)N(C)c1ccc(cc1)C 269982a_100000219977_100009879195 [0,1,0,0,0,1|2,0,0]=4 2916 B13R1.21 CSC(C)C(=O)c1ccc(cc1)C 62a_100000726416_200000210301 [0,1,0,0,0,1|2,0,0]=4 2917 B13R1.21 CSC(C)C(=O)c1ccc(cc1)C 62a_200000210301_100000726416 [0,1,0,0,0,1|2,0,0]=4 2918 B13R1.21 Cc1ccc(cc1)C(=O)C(C)C#N 1458a_100000188618_100000703298 [0,1,0,0,0,1|1,0,1]=4 2919 B13R1.21 Cc1ccc(cc1)C(=O)C(C)S[13CH3] 62a_100000726416_200025704644 [0,1,0,0,0,1|2,0,0]=4 2920 B13R1.21 Cc1ccc(cc1)C(=O)C(C)S[13CH3] 62a_200025704644_100000726416 [0,1,0,0,0,1|2,0,0]=4 2921 B13R1.21 Cc1ccc(cc1)N(C)C(C)C#N 2230a_100000219977_100000184139 [0,1,0,0,0,1|1,0,1]=4 2922 B13R1.21 Cc1ccc(cc1)N(C)C(C)C#N 269982a_100000219977_100000703298 [0,1,0,0,0,1|1,0,1]=4 2923 B13R1.21 Cc1ccc(cc1)N(C)C(C)CO 2230a_100000219977_100012180447 [0,1,0,0,0,1|0,0,2]=4 2924 B13R1.21 Cc1ccc(cc1)N(C)C(C)CO 34a_100000219977_100012180447 [0,1,0,0,0,1|0,0,2]=4 2925 B13R1.21 Cc1ccc(cc1)N(C)[C@H](C)CO 269982a_100000219977_100016084084 [0,1,0,0,0,1|0,0,2]=4 2926 B13R1.133 C/C(=C\c1ccc(cc1)F)/C(=O)[13CH3] 1458a_100053117043_200025704644 [0,1,0,0,0,1|1,0,1]=4 2927 B13R1.133 CC(=O)/C(=C/c1ccc(cc1)F)/C 1458a_100053117043_200000210301 [0,1,0,0,0,1|1,0,1]=4 2928 B13R1.133 CC(=O)C(=O)Nc1ccc(cc1)C 1458a_100000189662_200000210301 [0,1,0,0,0,1|1,0,1]=4 2929 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)Br 1458a_100000695199_200000210301 [0,1,0,0,0,1|1,0,0]=3 2930 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)F 1458a_100000746122_200000210301 [0,1,0,0,0,1|1,0,0]=3 2931 B13R1.133 CC(=O)C(C)Nc1ccc(cc1)Br 2230a_100000210018_100009814033 [0,1,0,0,0,1|1,0,0]=3 2932 B13R1.133 CC(=O)C(C)Nc1ccc(cc1)Cl 2230a_100000210052_100009814033 [0,1,0,0,0,1|1,0,0]=3 2933 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Br 1458a_100000181392_200000210301 [0,1,0,0,0,1|1,0,0]=3 2934 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Br 7a_100000185759_100000179758 [0,1,0,0,0,1|1,0,0]=3 2935 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)C 1458a_100000183867_200000210301 [0,1,0,0,0,1|0,0,0]=2 2936 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)C 7a_100000210336_100000179758 [0,1,0,0,0,1|0,0,0]=2 2937 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 1458a_100000184027_200000210301 [0,1,0,0,0,1|1,0,0]=3 2938 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 7a_100000210216_100000179758 [0,1,0,0,0,1|1,0,0]=3 2939 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)F 1458a_100000203723_200000210301 [0,1,0,0,0,1|1,0,0]=3 2940 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)I 7a_100000212066_100000179758 [0,1,0,0,0,1|1,0,0]=3 2941 B13R1.133 CC(=O)C(C)Oc1ccc(nc1)Br 7a_100000685995_100000179758 [0,1,0,0,0,1|2,0,0]=4 2942 B13R1.133 CC(=O)C(C)Oc1ccc(nc1)C 7a_100000745506_100000179758 [0,1,0,0,0,1|1,0,0]=3 2943 B13R1.133 CC(=O)C(C)Oc1ccc(nc1)Cl 7a_100000744096_100000179758 [0,1,0,0,0,1|2,0,0]=4 2944 B13R1.133 CC(=O)C(C)Oc1ccc(nc1)F 7a_100000688820_100000179758 [0,1,0,0,0,1|2,0,0]=4 2945 B13R1.133 CC(=O)C(C)Oc1ccc(nc1)I 7a_100000687607_100000179758 [0,1,0,0,0,1|2,0,0]=4 2946 B13R1.133 CC(=O)C(C)Oc1ccc(nc1)N 7a_100015188713_100000179758 [0,1,0,0,0,1|2,0,0]=4 2947 B13R1.133 CC(=O)C(C)Oc1cnc(nc1)C 7a_100000062939_100000179758 [0,1,0,0,0,1|2,0,0]=4 2948 B13R1.133 CC(=O)C(C)Sc1cc[n+](cc1)[O-] 62a_100009814033_100000039755 [0,1,0,0,0,1|2,0,0]=4 2949 B13R1.133 CC(=O)C(C)Sc1ccc(=O)[nH]c1 62a_100000212171_100009814033 [0,1,0,0,0,1|2,0,0]=4 2950 B13R1.133 CC(=O)C(C)Sc1ccc(=O)[nH]c1 62a_100009814033_100000212171 [0,1,0,0,0,1|2,0,0]=4 2951 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Br 62a_100000752885_100009814033 [0,1,0,0,0,1|1,0,0]=3 2952 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Br 62a_100009814033_100000752885 [0,1,0,0,0,1|1,0,0]=3 2953 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 1458a_100000181072_200000210301 [0,1,0,0,0,1|0,0,0]=2 2954 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 62a_100000186775_100009814033 [0,1,0,0,0,1|0,0,0]=2 2955 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 62a_100009814033_100000186775 [0,1,0,0,0,1|0,0,0]=2 2956 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 1458a_100000178403_200000210301 [0,1,0,0,0,1|1,0,0]=3 2957 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 62a_100000755918_100009814033 [0,1,0,0,0,1|1,0,0]=3 2958 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 62a_100009814033_100000755918 [0,1,0,0,0,1|1,0,0]=3 2959 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 1458a_100000181075_200000210301 [0,1,0,0,0,1|1,0,0]=3 2960 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 62a_100000211213_100009814033 [0,1,0,0,0,1|1,0,0]=3 2961 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 62a_100009814033_100000211213 [0,1,0,0,0,1|1,0,0]=3 2962 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)N 62a_100000185761_100009814033 [0,1,0,0,0,1|1,0,0]=3 2963 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)N 62a_100009814033_100000185761 [0,1,0,0,0,1|1,0,0]=3 2964 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)O 62a_100009814033_100000185759 [0,1,0,0,0,1|1,0,0]=3 2965 B13R1.133 CC(=O)C(C)Sc1ccc(cn1)Br 62a_100000686858_100009814033 [0,1,0,0,0,1|2,0,0]=4 2966 B13R1.133 CC(=O)C(C)Sc1ccc(cn1)Br 62a_100009814033_100000686858 [0,1,0,0,0,1|2,0,0]=4 2967 B13R1.133 CC(=O)C(C)Sc1ccc(cn1)C 62a_100009814033_100000754016 [0,1,0,0,0,1|1,0,0]=3 2968 B13R1.133 CC(=O)C(C)Sc1ccc(cn1)C 62a_100011192072_100009814033 [0,1,0,0,0,1|1,0,0]=3 2969 B13R1.133 CC(=O)C(C)Sc1ccc(cn1)Cl 62a_100009814033_100011356976 [0,1,0,0,0,1|2,0,0]=4 2970 B13R1.133 CC(=O)C(C)Sc1ccc(cn1)Cl 62a_100011356976_100009814033 [0,1,0,0,0,1|2,0,0]=4 2971 B13R1.133 CC(=O)C(C)Sc1ccc(cn1)F 62a_100000744514_100009814033 [0,1,0,0,0,1|2,0,0]=4 2972 B13R1.133 CC(=O)C(C)Sc1ccc(cn1)F 62a_100009814033_100000744514 [0,1,0,0,0,1|2,0,0]=4 2973 B13R1.133 CC(=O)C(C)Sc1ccc(cn1)N 62a_100000737798_100009814033 [0,1,0,0,0,1|2,0,0]=4 2974 B13R1.133 CC(=O)C(C)Sc1ccc(cn1)N 62a_100009814033_100000737798 [0,1,0,0,0,1|2,0,0]=4 2975 B13R1.133 CC(=O)C(C)Sc1ccc(cn1)O 62a_100000685995_100009814033 [0,1,0,0,0,1|2,0,0]=4 2976 B13R1.133 CC(=O)C(C)Sc1ccc(cn1)O 62a_100009814033_100000744096 [0,1,0,0,0,1|2,0,0]=4 2977 B13R1.133 CC(=O)C(C)Sc1ccc(nc1)Br 62a_100009814033_100009814638 [0,1,0,0,0,1|2,0,0]=4 2978 B13R1.133 CC(=O)C(C)Sc1ccc(nc1)Br 62a_100009814638_100009814033 [0,1,0,0,0,1|2,0,0]=4 2979 B13R1.133 CC(=O)C(C)Sc1ccc(nc1)C 62a_100000751577_100009814033 [0,1,0,0,0,1|1,0,0]=3 2980 B13R1.133 CC(=O)C(C)Sc1ccc(nc1)C 62a_100009814033_100000751577 [0,1,0,0,0,1|1,0,0]=3 2981 B13R1.133 CC(=O)C(C)Sc1ccc(nc1)Cl 62a_100000034144_100009814033 [0,1,0,0,0,1|2,0,0]=4 2982 B13R1.133 CC(=O)C(C)Sc1ccc(nc1)Cl 62a_100009814033_100000034144 [0,1,0,0,0,1|2,0,0]=4 2983 B13R1.133 CC(=O)C(C)Sc1ccc(nc1)F 62a_100000042367_100009814033 [0,1,0,0,0,1|2,0,0]=4 2984 B13R1.133 CC(=O)C(C)Sc1ccc(nc1)F 62a_100009814033_100000042367 [0,1,0,0,0,1|2,0,0]=4 2985 B13R1.133 CC(=O)C(C)Sc1ccc(nc1)N 62a_100000187370_100009814033 [0,1,0,0,0,1|2,0,0]=4 2986 B13R1.133 CC(=O)C(C)Sc1ccc(nc1)N 62a_100009814033_100000187370 [0,1,0,0,0,1|2,0,0]=4 2987 B13R1.133 CC(=O)C(C)Sc1ccc(nn1)C 62a_100000744512_100009814033 [0,1,0,0,0,1|2,0,0]=4 2988 B13R1.133 CC(=O)C(C)Sc1ccc(nn1)C 62a_100009814033_100000744512 [0,1,0,0,0,1|2,0,0]=4 2989 B13R1.133 CC(=O)C(C)Sc1cnc(cn1)C 62a_100009814033_100011999403 [0,1,0,0,0,1|2,0,0]=4 2990 B13R1.133 CC(=O)C(C)Sc1cnc(cn1)C 62a_100011999403_100009814033 [0,1,0,0,0,1|2,0,0]=4 2991 B13R1.133 CC(=O)C(C)Sc1cnc(nc1)C 62a_100000686985_100009814033 [0,1,0,0,0,1|2,0,0]=4 2992 B13R1.133 CC(=O)C(C)Sc1cnc(nc1)C 62a_100009814033_100000686985 [0,1,0,0,0,1|2,0,0]=4 2993 B13R1.133 CC(=O)C(C)Sc1ncc(cn1)C 62a_100000061069_100009814033 [0,1,0,0,0,1|2,0,0]=4 2994 B13R1.133 CC(=O)C(C)Sc1ncc(cn1)C 62a_100009814033_100000061069 [0,1,0,0,0,1|2,0,0]=4 2995 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200000210301 [0,1,0,0,0,1|2,0,0]=4 2996 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200000210301 [0,1,0,0,0,1|2,0,0]=4 2997 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200000210301 [0,1,0,0,0,1|2,0,0]=4 2998 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 11a_100000180866_100015343762 [0,1,0,0,0,1|2,0,0]=4 2999 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 1626a_100000180866_100015343762 [0,1,0,0,0,1|2,0,0]=4 3000 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 240690a_100000180866_100015343762 [0,1,0,0,0,1|2,0,0]=4 3001 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 527a_100000180866_100103153847 [0,1,0,0,0,1|2,0,0]=4 3002 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 11a_100000744650_100015343762 [0,1,0,0,0,1|1,0,0]=3 3003 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 1626a_100000744650_100015343762 [0,1,0,0,0,1|1,0,0]=3 3004 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 240690a_100000744650_100015343762 [0,1,0,0,0,1|1,0,0]=3 3005 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 527a_100000744650_100103153847 [0,1,0,0,0,1|1,0,0]=3 3006 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 11a_100000184517_100015343762 [0,1,0,0,0,1|2,0,0]=4 3007 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 1626a_100000184517_100015343762 [0,1,0,0,0,1|2,0,0]=4 3008 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 240690a_100000184517_100015343762 [0,1,0,0,0,1|2,0,0]=4 3009 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 527a_100000184517_100103153847 [0,1,0,0,0,1|2,0,0]=4 3010 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 11a_100000184576_100015343762 [0,1,0,0,0,1|2,0,0]=4 3011 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 1626a_100000184576_100015343762 [0,1,0,0,0,1|2,0,0]=4 3012 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 240690a_100000184576_100015343762 [0,1,0,0,0,1|2,0,0]=4 3013 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 527a_100000184576_100103153847 [0,1,0,0,0,1|2,0,0]=4 3014 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O 240690a_100000207500_100015343762 [0,1,0,0,0,1|2,0,0]=4 3015 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O 527a_100000207500_100103153847 [0,1,0,0,0,1|2,0,0]=4 3016 B13R1.133 CC(=O)N(C)Cc1ccc(cn1)C 11a_200000717808_100015343762 [0,1,0,0,0,1|2,0,0]=4 3017 B13R1.133 CC(=O)N(C)Cc1ccc(cn1)C 1626a_200000717808_100015343762 [0,1,0,0,0,1|2,0,0]=4 3018 B13R1.133 CC(=O)N(C)Cc1ccc(cn1)C 240690a_200000717808_100015343762 [0,1,0,0,0,1|2,0,0]=4 3019 B13R1.133 CC(=O)N(C)Cc1ccc(cn1)C 527a_200000717808_100103153847 [0,1,0,0,0,1|2,0,0]=4 3020 B13R1.133 CC(=O)N(C)Cc1ccc(nc1)C 11a_106623407658_100015343762 [0,1,0,0,0,1|2,0,0]=4 3021 B13R1.133 CC(=O)N(C)Cc1ccc(nc1)C 240690a_106623407658_100015343762 [0,1,0,0,0,1|2,0,0]=4 3022 B13R1.133 CC(=O)N(C)Cc1ccc(nc1)C 527a_106623407658_100103153847 [0,1,0,0,0,1|2,0,0]=4 3023 B13R1.133 CC(=O)[C@@H](C)Oc1ccc(cc1)O 1458a_100000005562_200000210301 [0,1,0,0,0,1|1,0,0]=3 3024 B13R1.133 CC(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200000210301 [0,1,0,0,0,1|2,0,0]=4 3025 B13R1.133 CC(Cc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000695199_200025704644 [0,1,0,0,0,1|1,0,0]=3 3026 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000746122_200025704644 [0,1,0,0,0,1|1,0,0]=3 3027 B13R1.133 CC(Nc1ccc(cc1)Br)C(=O)N 2230a_100000210018_100000702099 [0,1,0,0,0,1|1,0,0]=3 3028 B13R1.133 CC(Nc1ccc(cc1)Br)C(=O)N 34a_100000210018_100000702099 [0,1,0,0,0,1|1,0,0]=3 3029 B13R1.133 CC(Nc1ccc(cc1)Cl)C(=O)N 2230a_100000210052_100000702099 [0,1,0,0,0,1|1,0,0]=3 3030 B13R1.133 CC(Nc1ccc(cc1)Cl)C(=O)N 34a_100000210052_100000702099 [0,1,0,0,0,1|1,0,0]=3 3031 B13R1.133 CC(Nc1ccc(cc1)F)C(=O)N 34a_100000185862_100000702099 [0,1,0,0,0,1|1,0,0]=3 3032 B13R1.133 CC(Nc1ccc(cc1)I)C(=O)N 34a_100000185761_100000702099 [0,1,0,0,0,1|1,0,0]=3 3033 B13R1.133 CC(Nc1ccc(cc1)O)C(=O)N 34a_100000185829_100000702099 [0,1,0,0,0,1|1,0,0]=3 3034 B13R1.133 CC(Oc1ccc(=O)[nH]c1)C(=O)N 34a_100000075641_100000702099 [0,1,0,0,0,1|2,0,0]=4 3035 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)N 34a_100000185759_100000702099 [0,1,0,0,0,1|1,0,0]=3 3036 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)N 7a_100000185759_100000702099 [0,1,0,0,0,1|1,0,0]=3 3037 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000181392_200025704644 [0,1,0,0,0,1|1,0,0]=3 3038 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)N 34a_100000210216_100000702099 [0,1,0,0,0,1|1,0,0]=3 3039 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)N 7a_100000210216_100000702099 [0,1,0,0,0,1|1,0,0]=3 3040 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100000184027_200025704644 [0,1,0,0,0,1|1,0,0]=3 3041 B13R1.133 CC(Oc1ccc(cc1)F)C(=O)N 34a_100000210339_100000702099 [0,1,0,0,0,1|1,0,0]=3 3042 B13R1.133 CC(Oc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000203723_200025704644 [0,1,0,0,0,1|1,0,0]=3 3043 B13R1.133 CC(Oc1ccc(cc1)I)C(=O)N 34a_100000212066_100000702099 [0,1,0,0,0,1|1,0,0]=3 3044 B13R1.133 CC(Oc1ccc(cc1)I)C(=O)N 7a_100000212066_100000702099 [0,1,0,0,0,1|1,0,0]=3 3045 B13R1.133 CC(Oc1ccc(cc1)N)C(=O)N 34a_100000185829_100000702099 [0,1,0,0,0,1|1,0,0]=3 3046 B13R1.133 CC(Oc1ccc(cc1)O)C(=O)N 271570a_203496583355_100000150412 [0,1,0,0,0,1|1,0,0]=3 3047 B13R1.133 CC(Oc1ccc(cn1)Cl)C(=O)N 34a_100011215309_100000702099 [0,1,0,0,0,1|2,0,0]=4 3048 B13R1.133 CC(Oc1ccc(cn1)F)C(=O)N 34a_100000742473_100000702099 [0,1,0,0,0,1|2,0,0]=4 3049 B13R1.133 CC(Oc1ccc(cn1)N)C(=O)N 34a_100000729260_100000702099 [0,1,0,0,0,1|2,0,0]=4 3050 B13R1.133 CC(Oc1ccc(nc1)Br)C(=O)N 34a_100000685995_100000702099 [0,1,0,0,0,1|2,0,0]=4 3051 B13R1.133 CC(Oc1ccc(nc1)Br)C(=O)N 7a_100000685995_100000702099 [0,1,0,0,0,1|2,0,0]=4 3052 B13R1.133 CC(Oc1ccc(nc1)Cl)C(=O)N 34a_100000744096_100000702099 [0,1,0,0,0,1|2,0,0]=4 3053 B13R1.133 CC(Oc1ccc(nc1)Cl)C(=O)N 7a_100000744096_100000702099 [0,1,0,0,0,1|2,0,0]=4 3054 B13R1.133 CC(Oc1ccc(nc1)F)C(=O)N 34a_100000688820_100000702099 [0,1,0,0,0,1|2,0,0]=4 3055 B13R1.133 CC(Oc1ccc(nc1)F)C(=O)N 7a_100000688820_100000702099 [0,1,0,0,0,1|2,0,0]=4 3056 B13R1.133 CC(Oc1ccc(nc1)I)C(=O)N 34a_100000687607_100000702099 [0,1,0,0,0,1|2,0,0]=4 3057 B13R1.133 CC(Oc1ccc(nc1)I)C(=O)N 7a_100000687607_100000702099 [0,1,0,0,0,1|2,0,0]=4 3058 B13R1.133 CC(Oc1ccc(nc1)N)C(=O)N 34a_100015188713_100000702099 [0,1,0,0,0,1|2,0,0]=4 3059 B13R1.133 CC(Oc1ccc(nc1)N)C(=O)N 7a_100015188713_100000702099 [0,1,0,0,0,1|2,0,0]=4 3060 B13R1.133 CC(Sc1cc[n+](cc1)[O-])C(=O)N 62a_100000702099_100000039755 [0,1,0,0,0,1|2,0,0]=4 3061 B13R1.133 CC(Sc1ccc(=O)[nH]c1)C(=O)N 62a_100000212171_100000702099 [0,1,0,0,0,1|2,0,0]=4 3062 B13R1.133 CC(Sc1ccc(=O)[nH]c1)C(=O)N 62a_100000702099_100000212171 [0,1,0,0,0,1|2,0,0]=4 3063 B13R1.133 CC(Sc1ccc(cc1)Br)C(=O)N 62a_100000702099_100000752885 [0,1,0,0,0,1|1,0,0]=3 3064 B13R1.133 CC(Sc1ccc(cc1)Br)C(=O)N 62a_100000752885_100000702099 [0,1,0,0,0,1|1,0,0]=3 3065 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)N 62a_100000702099_100000755918 [0,1,0,0,0,1|1,0,0]=3 3066 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)N 62a_100000755918_100000702099 [0,1,0,0,0,1|1,0,0]=3 3067 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100000178403_200025704644 [0,1,0,0,0,1|1,0,0]=3 3068 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)N 62a_100000211213_100000702099 [0,1,0,0,0,1|1,0,0]=3 3069 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)N 62a_100000702099_100000211213 [0,1,0,0,0,1|1,0,0]=3 3070 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000181075_200025704644 [0,1,0,0,0,1|1,0,0]=3 3071 B13R1.133 CC(Sc1ccc(cc1)N)C(=O)N 62a_100000185761_100000702099 [0,1,0,0,0,1|1,0,0]=3 3072 B13R1.133 CC(Sc1ccc(cc1)N)C(=O)N 62a_100000702099_100000185761 [0,1,0,0,0,1|1,0,0]=3 3073 B13R1.133 CC(Sc1ccc(cc1)O)C(=O)N 62a_100000702099_100000185759 [0,1,0,0,0,1|1,0,0]=3 3074 B13R1.133 CC(Sc1ccc(cn1)Br)C(=O)N 62a_100000686858_100000702099 [0,1,0,0,0,1|2,0,0]=4 3075 B13R1.133 CC(Sc1ccc(cn1)Br)C(=O)N 62a_100000702099_100000686858 [0,1,0,0,0,1|2,0,0]=4 3076 B13R1.133 CC(Sc1ccc(cn1)Cl)C(=O)N 62a_100000702099_100011356976 [0,1,0,0,0,1|2,0,0]=4 3077 B13R1.133 CC(Sc1ccc(cn1)Cl)C(=O)N 62a_100011356976_100000702099 [0,1,0,0,0,1|2,0,0]=4 3078 B13R1.133 CC(Sc1ccc(cn1)F)C(=O)N 62a_100000702099_100000744514 [0,1,0,0,0,1|2,0,0]=4 3079 B13R1.133 CC(Sc1ccc(cn1)F)C(=O)N 62a_100000744514_100000702099 [0,1,0,0,0,1|2,0,0]=4 3080 B13R1.133 CC(Sc1ccc(cn1)N)C(=O)N 62a_100000702099_100000737798 [0,1,0,0,0,1|2,0,0]=4 3081 B13R1.133 CC(Sc1ccc(cn1)N)C(=O)N 62a_100000737798_100000702099 [0,1,0,0,0,1|2,0,0]=4 3082 B13R1.133 CC(Sc1ccc(cn1)O)C(=O)N 62a_100000685995_100000702099 [0,1,0,0,0,1|2,0,0]=4 3083 B13R1.133 CC(Sc1ccc(cn1)O)C(=O)N 62a_100000702099_100000744096 [0,1,0,0,0,1|2,0,0]=4 3084 B13R1.133 CC(Sc1ccc(nc1)Br)C(=O)N 62a_100000702099_100009814638 [0,1,0,0,0,1|2,0,0]=4 3085 B13R1.133 CC(Sc1ccc(nc1)Br)C(=O)N 62a_100009814638_100000702099 [0,1,0,0,0,1|2,0,0]=4 3086 B13R1.133 CC(Sc1ccc(nc1)Cl)C(=O)N 62a_100000034144_100000702099 [0,1,0,0,0,1|2,0,0]=4 3087 B13R1.133 CC(Sc1ccc(nc1)Cl)C(=O)N 62a_100000702099_100000034144 [0,1,0,0,0,1|2,0,0]=4 3088 B13R1.133 CC(Sc1ccc(nc1)F)C(=O)N 62a_100000042367_100000702099 [0,1,0,0,0,1|2,0,0]=4 3089 B13R1.133 CC(Sc1ccc(nc1)F)C(=O)N 62a_100000702099_100000042367 [0,1,0,0,0,1|2,0,0]=4 3090 B13R1.133 CC(Sc1ccc(nc1)N)C(=O)N 62a_100000187370_100000702099 [0,1,0,0,0,1|2,0,0]=4 3091 B13R1.133 CC(Sc1ccc(nc1)N)C(=O)N 62a_100000702099_100000187370 [0,1,0,0,0,1|2,0,0]=4 3092 B13R1.133 C[C@@H](Nc1ccc(cn1)Br)C(=O)N 27a_100000119354_100000686858 [0,1,0,0,0,1|2,0,0]=4 3093 B13R1.133 C[C@@H](Oc1ccc(cc1)O)C(=O)[13CH3] 1458a_100000005562_200025704644 [0,1,0,0,0,1|1,0,0]=3 3094 B13R1.133 Cc1ccc(cc1)CC(C)N(C)C 270004a_100102631434_100000751045 [0,1,0,0,0,1|2,0,0]=4 3095 B13R1.133 Cc1ccc(cc1)NC(=O)C(=O)N 22a_100000124888_100011215815 [0,1,0,0,0,1|1,0,1]=4 3096 B13R1.133 Cc1ccc(cc1)NC(=O)C(=O)[13CH3] 1458a_100000189662_200025704644 [0,1,0,0,0,1|1,0,1]=4 3097 B13R1.133 Cc1ccc(cc1)NC(C)C(=O)N 34a_100000124888_100000702099 [0,1,0,0,0,1|0,0,0]=2 3098 B13R1.133 Cc1ccc(cc1)NC(F)C(=O)N 34a_100000124888_100009813875 [0,1,0,0,0,1|1,0,0]=3 3099 B13R1.133 Cc1ccc(cc1)NC(F)C(=O)[O-] 34a_100000124888_100020610796 [0,1,0,0,0,1|1,0,0]=3 3100 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)N 34a_100000210336_100000702099 [0,1,0,0,0,1|0,0,0]=2 3101 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)N 7a_100000210336_100000702099 [0,1,0,0,0,1|0,0,0]=2 3102 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)[13CH3] 1458a_100000183867_200025704644 [0,1,0,0,0,1|0,0,0]=2 3103 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)N 34a_100000210336_100009813875 [0,1,0,0,0,1|1,0,0]=3 3104 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)N 7a_100000210336_100009813875 [0,1,0,0,0,1|1,0,0]=3 3105 B13R1.133 Cc1ccc(cc1)OC(F)C(=O)[O-] 34a_100000210336_100020610796 [0,1,0,0,0,1|1,0,0]=3 3106 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)N 62a_100000186775_100000702099 [0,1,0,0,0,1|0,0,0]=2 3107 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)N 62a_100000702099_100000186775 [0,1,0,0,0,1|0,0,0]=2 3108 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)[13CH3] 1458a_100000181072_200025704644 [0,1,0,0,0,1|0,0,0]=2 3109 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)N 62a_100000186775_100009813875 [0,1,0,0,0,1|1,0,0]=3 3110 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)N 62a_100009813875_100000186775 [0,1,0,0,0,1|1,0,0]=3 3111 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)[O-] 62a_100000186775_100020610796 [0,1,0,0,0,1|1,0,0]=3 3112 B13R1.133 Cc1ccc(cc1)SC(F)C(=O)[O-] 62a_100020610796_100000186775 [0,1,0,0,0,1|1,0,0]=3 3113 B13R1.133 Cc1ccc(cn1)OC(C)C(=O)N 34a_100000745506_100000702099 [0,1,0,0,0,1|1,0,0]=3 3114 B13R1.133 Cc1ccc(cn1)OC(C)C(=O)N 7a_100000745506_100000702099 [0,1,0,0,0,1|1,0,0]=3 3115 B13R1.133 Cc1ccc(cn1)OC(F)C(=O)N 34a_100000745506_100009813875 [0,1,0,0,0,1|2,0,0]=4 3116 B13R1.133 Cc1ccc(cn1)OC(F)C(=O)N 7a_100000745506_100009813875 [0,1,0,0,0,1|2,0,0]=4 3117 B13R1.133 Cc1ccc(cn1)OC(F)C(=O)[O-] 34a_100000745506_100020610796 [0,1,0,0,0,1|2,0,0]=4 3118 B13R1.133 Cc1ccc(cn1)SC(C)C(=O)N 62a_100000702099_100000751577 [0,1,0,0,0,1|1,0,0]=3 3119 B13R1.133 Cc1ccc(cn1)SC(C)C(=O)N 62a_100000751577_100000702099 [0,1,0,0,0,1|1,0,0]=3 3120 B13R1.133 Cc1ccc(cn1)SC(F)C(=O)N 62a_100000751577_100009813875 [0,1,0,0,0,1|2,0,0]=4 3121 B13R1.133 Cc1ccc(cn1)SC(F)C(=O)N 62a_100009813875_100000751577 [0,1,0,0,0,1|2,0,0]=4 3122 B13R1.133 Cc1ccc(cn1)SC(F)C(=O)[O-] 62a_100000751577_100020610796 [0,1,0,0,0,1|2,0,0]=4 3123 B13R1.133 Cc1ccc(cn1)SC(F)C(=O)[O-] 62a_100020610796_100000751577 [0,1,0,0,0,1|2,0,0]=4 3124 B13R1.133 Cc1ccc(nc1)OC(C)C(=O)N 34a_100000759353_100000702099 [0,1,0,0,0,1|1,0,0]=3 3125 B13R1.133 Cc1ccc(nc1)OC(F)C(=O)N 34a_100000759353_100009813875 [0,1,0,0,0,1|2,0,0]=4 3126 B13R1.133 Cc1ccc(nc1)OC(F)C(=O)[O-] 34a_100000759353_100020610796 [0,1,0,0,0,1|2,0,0]=4 3127 B13R1.133 Cc1ccc(nc1)SC(C)C(=O)N 62a_100000702099_100000754016 [0,1,0,0,0,1|1,0,0]=3 3128 B13R1.133 Cc1ccc(nc1)SC(C)C(=O)N 62a_100011192072_100000702099 [0,1,0,0,0,1|1,0,0]=3 3129 B13R1.133 Cc1ccc(nc1)SC(F)C(=O)N 62a_100009813875_100000754016 [0,1,0,0,0,1|2,0,0]=4 3130 B13R1.133 Cc1ccc(nc1)SC(F)C(=O)N 62a_100011192072_100009813875 [0,1,0,0,0,1|2,0,0]=4 3131 B13R1.133 Cc1ccc(nc1)SC(F)C(=O)[O-] 62a_100011192072_100020610796 [0,1,0,0,0,1|2,0,0]=4 3132 B13R1.133 Cc1ccc(nc1)SC(F)C(=O)[O-] 62a_100020610796_100000754016 [0,1,0,0,0,1|2,0,0]=4 3133 B13R1.133 Cc1ccc(nn1)N[C@H](C)C(=O)N 27a_100000119354_100000744512 [0,1,0,0,0,1|2,0,0]=4 3134 B13R1.133 Cc1ccc(nn1)SC(C)C(=O)N 62a_100000702099_100000744512 [0,1,0,0,0,1|2,0,0]=4 3135 B13R1.133 Cc1ccc(nn1)SC(C)C(=O)N 62a_100000744512_100000702099 [0,1,0,0,0,1|2,0,0]=4 3136 B13R1.133 Cc1cnc(cn1)N[C@H](C)C(=O)N 27a_100000119354_100000074397 [0,1,0,0,0,1|2,0,0]=4 3137 B13R1.133 Cc1cnc(cn1)SC(C)C(=O)N 62a_100000702099_100011999403 [0,1,0,0,0,1|2,0,0]=4 3138 B13R1.133 Cc1cnc(cn1)SC(C)C(=O)N 62a_100011999403_100000702099 [0,1,0,0,0,1|2,0,0]=4 3139 B13R1.133 Cc1cnc(nc1)N[C@H](C)C(=O)N 27a_100000119354_100000061069 [0,1,0,0,0,1|2,0,0]=4 3140 B13R1.133 Cc1cnc(nc1)SC(C)C(=O)N 62a_100000061069_100000702099 [0,1,0,0,0,1|2,0,0]=4 3141 B13R1.133 Cc1cnc(nc1)SC(C)C(=O)N 62a_100000702099_100000061069 [0,1,0,0,0,1|2,0,0]=4 3142 B13R1.133 Cc1ncc(cn1)OC(C)C(=O)N 34a_100000062939_100000702099 [0,1,0,0,0,1|2,0,0]=4 3143 B13R1.133 Cc1ncc(cn1)OC(C)C(=O)N 7a_100000062939_100000702099 [0,1,0,0,0,1|2,0,0]=4 3144 B13R1.133 Cc1ncc(cn1)SC(C)C(=O)N 62a_100000686985_100000702099 [0,1,0,0,0,1|2,0,0]=4 3145 B13R1.133 Cc1ncc(cn1)SC(C)C(=O)N 62a_100000702099_100000686985 [0,1,0,0,0,1|2,0,0]=4 3146 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Br 2230a_100000210018_100009813875 [0,1,0,0,0,1|2,0,0]=4 3147 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Br 34a_100000210018_100009813875 [0,1,0,0,0,1|2,0,0]=4 3148 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Cl 2230a_100000210052_100009813875 [0,1,0,0,0,1|2,0,0]=4 3149 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)Cl 34a_100000210052_100009813875 [0,1,0,0,0,1|2,0,0]=4 3150 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)F 34a_100000185862_100009813875 [0,1,0,0,0,1|2,0,0]=4 3151 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)I 34a_100000185761_100009813875 [0,1,0,0,0,1|2,0,0]=4 3152 B13R1.133 NC(=O)C(F)Nc1ccc(cc1)O 34a_100000185829_100009813875 [0,1,0,0,0,1|2,0,0]=4 3153 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Br 34a_100000185759_100009813875 [0,1,0,0,0,1|2,0,0]=4 3154 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Br 7a_100000185759_100009813875 [0,1,0,0,0,1|2,0,0]=4 3155 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Cl 34a_100000210216_100009813875 [0,1,0,0,0,1|2,0,0]=4 3156 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)Cl 7a_100000210216_100009813875 [0,1,0,0,0,1|2,0,0]=4 3157 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)F 34a_100000210339_100009813875 [0,1,0,0,0,1|2,0,0]=4 3158 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)I 34a_100000212066_100009813875 [0,1,0,0,0,1|2,0,0]=4 3159 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)I 7a_100000212066_100009813875 [0,1,0,0,0,1|2,0,0]=4 3160 B13R1.133 NC(=O)C(F)Oc1ccc(cc1)N 34a_100000185829_100009813875 [0,1,0,0,0,1|2,0,0]=4 3161 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Br 62a_100000752885_100009813875 [0,1,0,0,0,1|2,0,0]=4 3162 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Br 62a_100009813875_100000752885 [0,1,0,0,0,1|2,0,0]=4 3163 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Cl 62a_100000755918_100009813875 [0,1,0,0,0,1|2,0,0]=4 3164 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)Cl 62a_100009813875_100000755918 [0,1,0,0,0,1|2,0,0]=4 3165 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)F 62a_100000211213_100009813875 [0,1,0,0,0,1|2,0,0]=4 3166 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)F 62a_100009813875_100000211213 [0,1,0,0,0,1|2,0,0]=4 3167 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)N 62a_100000185761_100009813875 [0,1,0,0,0,1|2,0,0]=4 3168 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)N 62a_100009813875_100000185761 [0,1,0,0,0,1|2,0,0]=4 3169 B13R1.133 NC(=O)C(F)Sc1ccc(cc1)O 62a_100009813875_100000185759 [0,1,0,0,0,1|2,0,0]=4 3170 B13R1.133 Nc1ccc(cc1)OC(F)C(=O)[O-] 34a_100000185829_100020610796 [0,1,0,0,0,1|2,0,0]=4 3171 B13R1.133 Nc1ccc(cc1)SC(F)C(=O)[O-] 62a_100000185761_100020610796 [0,1,0,0,0,1|2,0,0]=4 3172 B13R1.133 Nc1ccc(cc1)SC(F)C(=O)[O-] 62a_100020610796_100000185761 [0,1,0,0,0,1|2,0,0]=4 3173 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)Br 34a_100000210018_100020610796 [0,1,0,0,0,1|2,0,0]=4 3174 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)Cl 34a_100000210052_100020610796 [0,1,0,0,0,1|2,0,0]=4 3175 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)F 34a_100000185862_100020610796 [0,1,0,0,0,1|2,0,0]=4 3176 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)I 34a_100000185761_100020610796 [0,1,0,0,0,1|2,0,0]=4 3177 B13R1.133 O=C([O-])C(F)Nc1ccc(cc1)O 34a_100000185829_100020610796 [0,1,0,0,0,1|2,0,0]=4 3178 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)Br 34a_100000185759_100020610796 [0,1,0,0,0,1|2,0,0]=4 3179 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)Cl 34a_100000210216_100020610796 [0,1,0,0,0,1|2,0,0]=4 3180 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)F 34a_100000210339_100020610796 [0,1,0,0,0,1|2,0,0]=4 3181 B13R1.133 O=C([O-])C(F)Oc1ccc(cc1)I 34a_100000212066_100020610796 [0,1,0,0,0,1|2,0,0]=4 3182 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Br 62a_100000752885_100020610796 [0,1,0,0,0,1|2,0,0]=4 3183 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Br 62a_100020610796_100000752885 [0,1,0,0,0,1|2,0,0]=4 3184 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Cl 62a_100000755918_100020610796 [0,1,0,0,0,1|2,0,0]=4 3185 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)Cl 62a_100020610796_100000755918 [0,1,0,0,0,1|2,0,0]=4 3186 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)F 62a_100000211213_100020610796 [0,1,0,0,0,1|2,0,0]=4 3187 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)F 62a_100020610796_100000211213 [0,1,0,0,0,1|2,0,0]=4 3188 B13R1.133 O=C([O-])C(F)Sc1ccc(cc1)O 62a_100020610796_100000185759 [0,1,0,0,0,1|2,0,0]=4 3189 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200025704644 [0,1,0,0,0,1|2,0,0]=4 3190 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200025704644 [0,1,0,0,0,1|2,0,0]=4 3191 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200025704644 [0,1,0,0,0,1|2,0,0]=4 3192 B13R1.133 [13CH3]C(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200025704644 [0,1,0,0,0,1|2,0,0]=4 3193 B13R1.145 CCC(CC)Oc1ccc(cc1)C 7a_100000210336_100000210505 [0,1,0,0,0,1|1,0,1]=4 3194 B13R1.145 CCC(CC)Sc1ccc(cc1)C 62a_100000186775_100000210505 [0,1,0,0,0,1|1,0,1]=4 3195 B13R1.145 CCC(CC)Sc1ccc(cc1)C 62a_100000210505_100000186775 [0,1,0,0,0,1|1,0,1]=4 3196 B13R1.145 CNC(C#N)Cc1ccc(cc1)C 34a_100102657272_100000697087 [0,1,0,0,0,1|1,0,1]=4 3197 B13R1.145 CNC(C#N)Cc1ccc(cc1)C 7a_106832991635_100000697087 [0,1,0,0,0,1|1,0,1]=4 3198 B13R1.145 COC(C#N)Cc1ccc(cc1)C 34a_100138415774_100000697087 [0,1,0,0,0,1|1,0,1]=4 3199 B13R1.145 CSC(C#N)Cc1ccc(cc1)C 62a_100000697087_200000210301 [0,1,0,0,0,1|1,0,1]=4 3200 B13R1.145 CSC(C#N)Cc1ccc(cc1)C 62a_200000210301_100000697087 [0,1,0,0,0,1|1,0,1]=4 3201 B13R1.145 Cc1ccc(cc1)CC(C#N)S[13CH3] 62a_100000697087_200025704644 [0,1,0,0,0,1|1,0,1]=4 3202 B13R1.145 Cc1ccc(cc1)CC(C#N)S[13CH3] 62a_200025704644_100000697087 [0,1,0,0,0,1|1,0,1]=4 3203 B13R1.145 Cc1ccc(cc1)NC(C=O)C=O 34a_100000124888_100000736813 [0,1,0,0,0,1|0,0,1]=3 3204 B13R1.145 Cc1ccc(cc1)OC(C=O)C=O 34a_100000210336_100000736813 [0,1,0,0,0,1|0,0,1]=3 3205 B13R1.145 Cc1ccc(cc1)SC(C=O)C=O 62a_100000186775_100000736813 [0,1,0,0,0,1|0,0,1]=3 3206 B13R1.145 Cc1ccc(cc1)SC(C=O)C=O 62a_100000736813_100000186775 [0,1,0,0,0,1|0,0,1]=3 3207 B13R1.145 Cc1ccc(cn1)OC(C=O)C=O 34a_100000745506_100000736813 [0,1,0,0,0,1|1,0,1]=4 3208 B13R1.145 Cc1ccc(cn1)SC(C=O)C=O 62a_100000736813_100000751577 [0,1,0,0,0,1|1,0,1]=4 3209 B13R1.145 Cc1ccc(cn1)SC(C=O)C=O 62a_100000751577_100000736813 [0,1,0,0,0,1|1,0,1]=4 3210 B13R1.145 Cc1ccc(nc1)OC(C=O)C=O 34a_100000759353_100000736813 [0,1,0,0,0,1|1,0,1]=4 3211 B13R1.145 Cc1ccc(nc1)SC(C=O)C=O 62a_100000736813_100000754016 [0,1,0,0,0,1|1,0,1]=4 3212 B13R1.145 Cc1ccc(nc1)SC(C=O)C=O 62a_100011192072_100000736813 [0,1,0,0,0,1|1,0,1]=4 3213 B13R1.145 Nc1ccc(cc1)OC(C=O)C=O 34a_100000185829_100000736813 [0,1,0,0,0,1|1,0,1]=4 3214 B13R1.145 Nc1ccc(cc1)SC(C=O)C=O 62a_100000185761_100000736813 [0,1,0,0,0,1|1,0,1]=4 3215 B13R1.145 Nc1ccc(cc1)SC(C=O)C=O 62a_100000736813_100000185761 [0,1,0,0,0,1|1,0,1]=4 3216 B13R1.145 O=CC(C=O)Nc1ccc(cc1)Br 2230a_100000210018_100000736813 [0,1,0,0,0,1|1,0,1]=4 3217 B13R1.145 O=CC(C=O)Nc1ccc(cc1)Br 34a_100000210018_100000736813 [0,1,0,0,0,1|1,0,1]=4 3218 B13R1.145 O=CC(C=O)Nc1ccc(cc1)Cl 2230a_100000210052_100000736813 [0,1,0,0,0,1|1,0,1]=4 3219 B13R1.145 O=CC(C=O)Nc1ccc(cc1)Cl 34a_100000210052_100000736813 [0,1,0,0,0,1|1,0,1]=4 3220 B13R1.145 O=CC(C=O)Nc1ccc(cc1)F 34a_100000185862_100000736813 [0,1,0,0,0,1|1,0,1]=4 3221 B13R1.145 O=CC(C=O)Nc1ccc(cc1)I 34a_100000185761_100000736813 [0,1,0,0,0,1|1,0,1]=4 3222 B13R1.145 O=CC(C=O)Nc1ccc(cc1)O 34a_100000185829_100000736813 [0,1,0,0,0,1|1,0,1]=4 3223 B13R1.145 O=CC(C=O)Oc1ccc(cc1)Br 34a_100000185759_100000736813 [0,1,0,0,0,1|1,0,1]=4 3224 B13R1.145 O=CC(C=O)Oc1ccc(cc1)Cl 34a_100000210216_100000736813 [0,1,0,0,0,1|1,0,1]=4 3225 B13R1.145 O=CC(C=O)Oc1ccc(cc1)F 34a_100000210339_100000736813 [0,1,0,0,0,1|1,0,1]=4 3226 B13R1.145 O=CC(C=O)Oc1ccc(cc1)I 34a_100000212066_100000736813 [0,1,0,0,0,1|1,0,1]=4 3227 B13R1.145 O=CC(C=O)Sc1ccc(cc1)Br 62a_100000736813_100000752885 [0,1,0,0,0,1|1,0,1]=4 3228 B13R1.145 O=CC(C=O)Sc1ccc(cc1)Br 62a_100000752885_100000736813 [0,1,0,0,0,1|1,0,1]=4 3229 B13R1.145 O=CC(C=O)Sc1ccc(cc1)Cl 62a_100000736813_100000755918 [0,1,0,0,0,1|1,0,1]=4 3230 B13R1.145 O=CC(C=O)Sc1ccc(cc1)Cl 62a_100000755918_100000736813 [0,1,0,0,0,1|1,0,1]=4 3231 B13R1.145 O=CC(C=O)Sc1ccc(cc1)F 62a_100000211213_100000736813 [0,1,0,0,0,1|1,0,1]=4 3232 B13R1.145 O=CC(C=O)Sc1ccc(cc1)F 62a_100000736813_100000211213 [0,1,0,0,0,1|1,0,1]=4 3233 B13R1.145 O=CC(C=O)Sc1ccc(cc1)O 62a_100000736813_100000185759 [0,1,0,0,0,1|1,0,1]=4 3234 B13R1.249 C#CC(C)(C)Nc1ccc(cc1)C 34a_100000124888_100000038118 [0,1,0,0,0,1|1,0,1]=4 3235 B13R1.249 C#CC(C)(C)Oc1ccc(cc1)C 34a_100000210336_100000038118 [0,1,0,0,0,1|1,0,1]=4 3236 B13R1.249 C#CC(C)(C)Sc1ccc(cc1)C 62a_100000038118_100000186775 [0,1,0,0,0,1|1,0,1]=4 3237 B13R1.249 C#CC(C)(C)Sc1ccc(cc1)C 62a_100000186775_100000038118 [0,1,0,0,0,1|1,0,1]=4 3238 B13R1.249 C=CC(F)(F)Sc1ccc(cc1)C 62a_100000186775_100009814244 [0,1,0,0,0,1|2,0,0]=4 3239 B13R1.249 C=CC(F)(F)Sc1ccc(cc1)C 62a_100009814244_100000186775 [0,1,0,0,0,1|2,0,0]=4 3240 B13R1.249 CCC(C)(C)Oc1ccc(cc1)C 7a_100000210336_100000210677 [0,1,0,0,0,1|1,0,1]=4 3241 B13R1.249 CCC(C)(C)Sc1ccc(cc1)C 62a_100000032637_100000186775 [0,1,0,0,0,1|1,0,1]=4 3242 B13R1.249 CCC(C)(C)Sc1ccc(cc1)C 62a_100000186775_100000032637 [0,1,0,0,0,1|1,0,1]=4 3243 B13R1.249 COC(C)(C)Cc1ccc(cc1)C 7a_200011350412_200000210301 [0,1,0,0,0,1|2,0,0]=4 3244 B13R1.249 Cc1ccc(cc1)CC(C)(C)O[13CH3] 7a_200011350412_200025704644 [0,1,0,0,0,1|2,0,0]=4 3245 B13R1.249 Cc1ccc(cc1)NC(C)(C)C#N 34a_100000124888_100011162410 [0,1,0,0,0,1|1,0,1]=4 3246 B13R1.249 Cc1ccc(cc1)OC(C)(C)C#N 34a_100000210336_100011162410 [0,1,0,0,0,1|1,0,1]=4 3247 B13R1.249 Cc1ccc(cc1)OC(C)(C)C#N 7a_100000210336_100011162410 [0,1,0,0,0,1|1,0,1]=4 3248 B13R1.249 Cc1ccc(cc1)SC(C)(C)C#N 62a_100000186775_100011162410 [0,1,0,0,0,1|1,0,1]=4 3249 B13R1.249 Cc1ccc(cc1)SC(C)(C)C#N 62a_100011162410_100000186775 [0,1,0,0,0,1|1,0,1]=4 3250 B13R1.2679 C#CC(C)Nc1ccc(cc1Br)C 34a_100000210942_200000035995 [0,1,0,0,0,1|1,0,1]=4 3251 B13R1.2679 C#CC(C)Nc1ccc(cc1C)C 34a_100000736561_200000035995 [0,1,0,0,0,1|1,0,1]=4 3252 B13R1.2679 C#CC(C)Nc1ccc(cc1Cl)C 34a_100000210522_200000035995 [0,1,0,0,0,1|1,0,1]=4 3253 B13R1.2679 C#CC(C)Nc1ccc(cc1F)C 34a_100000211023_200000035995 [0,1,0,0,0,1|1,0,1]=4 3254 B13R1.2679 C#CC(C)Nc1ccc(cc1I)C 34a_100011356834_200000035995 [0,1,0,0,0,1|1,0,1]=4 3255 B13R1.2679 C#CC(C)Nc1ccc(cc1O)C 34a_100000211527_200000035995 [0,1,0,0,0,1|1,0,1]=4 3256 B13R1.2679 C#CC(C)Oc1ccc(cc1Br)C 34a_100000210800_200000035995 [0,1,0,0,0,1|1,0,1]=4 3257 B13R1.2679 C#CC(C)Oc1ccc(cc1C)C 34a_100000211776_200000035995 [0,1,0,0,0,1|1,0,1]=4 3258 B13R1.2679 C#CC(C)Oc1ccc(cc1Cl)C 34a_100000749699_200000035995 [0,1,0,0,0,1|1,0,1]=4 3259 B13R1.2679 C#CC(C)Oc1ccc(cc1F)C 34a_100011216688_200000035995 [0,1,0,0,0,1|1,0,1]=4 3260 B13R1.2679 C#CC(C)Oc1ccc(cc1I)C 34a_100000765521_200000035995 [0,1,0,0,0,1|1,0,1]=4 3261 B13R1.2679 C#CC(C)Oc1ccc(cc1N)C 34a_100011215204_200000035995 [0,1,0,0,0,1|1,0,1]=4 3262 B13R1.2679 C#CC(C)Sc1ccc(cc1Br)C 62a_200000035995_100009813563 [0,1,0,0,0,1|1,0,1]=4 3263 B13R1.2679 C#CC(C)Sc1ccc(cc1C)C 62a_200000035995_100011217332 [0,1,0,0,0,1|1,0,1]=4 3264 B13R1.2679 C#CC(C)Sc1ccc(cc1Cl)C 62a_200000035995_100011263221 [0,1,0,0,0,1|1,0,1]=4 3265 B13R1.2679 C#CC(C)Sc1ccc(cc1F)C 62a_200000035995_100011216119 [0,1,0,0,0,1|1,0,1]=4 3266 B13R1.2679 C#CC(C)Sc1ccc(cc1N)C 62a_200000035995_100011216686 [0,1,0,0,0,1|1,0,1]=4 3267 B13R1.2679 C#CC(C)Sc1ccc(cc1O)C 62a_200000035995_100012002257 [0,1,0,0,0,1|1,0,1]=4 3268 B13R1.2679 C=CC(C)Sc1ccc(c[n+]1[O-])C 62a_100011215867_100009819918 [0,1,0,0,0,1|2,0,0]=4 3269 B13R1.2679 C=CC(C)Sc1ccc(cc1Br)Br 62a_100011215867_100011484698 [0,1,0,0,0,1|2,0,0]=4 3270 B13R1.2679 C=CC(C)Sc1ccc(cc1Br)C 62a_100011215867_100009813563 [0,1,0,0,0,1|1,0,0]=3 3271 B13R1.2679 C=CC(C)Sc1ccc(cc1Br)Cl 62a_100011215867_100011219703 [0,1,0,0,0,1|2,0,0]=4 3272 B13R1.2679 C=CC(C)Sc1ccc(cc1Br)F 62a_100011215867_100011217111 [0,1,0,0,0,1|2,0,0]=4 3273 B13R1.2679 C=CC(C)Sc1ccc(cc1Br)N 62a_100011215867_100000750458 [0,1,0,0,0,1|2,0,0]=4 3274 B13R1.2679 C=CC(C)Sc1ccc(cc1Br)O 62a_100011215867_100000701344 [0,1,0,0,0,1|2,0,0]=4 3275 B13R1.2679 C=CC(C)Sc1ccc(cc1C)Br 62a_100011215867_100000701812 [0,1,0,0,0,1|2,0,0]=4 3276 B13R1.2679 C=CC(C)Sc1ccc(cc1C)C 62a_100011215867_100011217332 [0,1,0,0,0,1|1,0,0]=3 3277 B13R1.2679 C=CC(C)Sc1ccc(cc1C)Cl 62a_100011215867_100011219607 [0,1,0,0,0,1|2,0,0]=4 3278 B13R1.2679 C=CC(C)Sc1ccc(cc1C)F 62a_100011215867_100011205405 [0,1,0,0,0,1|2,0,0]=4 3279 B13R1.2679 C=CC(C)Sc1ccc(cc1C)N 62a_100011215867_100000210723 [0,1,0,0,0,1|2,0,0]=4 3280 B13R1.2679 C=CC(C)Sc1ccc(cc1C)O 62a_100011215867_100000690111 [0,1,0,0,0,1|2,0,0]=4 3281 B13R1.2679 C=CC(C)Sc1ccc(cc1Cl)Br 62a_100011215867_100011216062 [0,1,0,0,0,1|2,0,0]=4 3282 B13R1.2679 C=CC(C)Sc1ccc(cc1Cl)C 62a_100011215867_100011263221 [0,1,0,0,0,1|1,0,0]=3 3283 B13R1.2679 C=CC(C)Sc1ccc(cc1Cl)Cl 62a_100011215867_100000699841 [0,1,0,0,0,1|2,0,0]=4 3284 B13R1.2679 C=CC(C)Sc1ccc(cc1Cl)F 62a_100011215867_100000733362 [0,1,0,0,0,1|2,0,0]=4 3285 B13R1.2679 C=CC(C)Sc1ccc(cc1Cl)N 62a_100011215867_100000761885 [0,1,0,0,0,1|2,0,0]=4 3286 B13R1.2679 C=CC(C)Sc1ccc(cc1Cl)O 62a_100011215867_100000047559 [0,1,0,0,0,1|2,0,0]=4 3287 B13R1.2679 C=CC(C)Sc1ccc(cc1F)Br 62a_100011215867_100009814013 [0,1,0,0,0,1|2,0,0]=4 3288 B13R1.2679 C=CC(C)Sc1ccc(cc1F)C 62a_100011215867_100011216119 [0,1,0,0,0,1|1,0,0]=3 3289 B13R1.2679 C=CC(C)Sc1ccc(cc1F)Cl 62a_100011215867_100011216042 [0,1,0,0,0,1|2,0,0]=4 3290 B13R1.2679 C=CC(C)Sc1ccc(cc1F)F 62a_100011215867_100000750030 [0,1,0,0,0,1|2,0,0]=4 3291 B13R1.2679 C=CC(C)Sc1ccc(cc1F)N 62a_100011215867_100011356925 [0,1,0,0,0,1|2,0,0]=4 3292 B13R1.2679 C=CC(C)Sc1ccc(cc1F)O 62a_100011215867_100000755031 [0,1,0,0,0,1|2,0,0]=4 3293 B13R1.2679 C=CC(C)Sc1ccc(cc1N)Br 62a_100011215867_100000743836 [0,1,0,0,0,1|2,0,0]=4 3294 B13R1.2679 C=CC(C)Sc1ccc(cc1N)C 62a_100011215867_100011216686 [0,1,0,0,0,1|1,0,0]=3 3295 B13R1.2679 C=CC(C)Sc1ccc(cc1N)Cl 62a_100011215867_100000761886 [0,1,0,0,0,1|2,0,0]=4 3296 B13R1.2679 C=CC(C)Sc1ccc(cc1N)F 62a_100011215867_100000687223 [0,1,0,0,0,1|2,0,0]=4 3297 B13R1.2679 C=CC(C)Sc1ccc(cc1N)N 62a_100011215867_200012175722 [0,1,0,0,0,1|2,0,0]=4 3298 B13R1.2679 C=CC(C)Sc1ccc(cc1N)O 62a_100011215867_100011999798 [0,1,0,0,0,1|2,0,0]=4 3299 B13R1.2679 C=CC(C)Sc1ccc(cc1O)Br 62a_100011215867_100012344904 [0,1,0,0,0,1|2,0,0]=4 3300 B13R1.2679 C=CC(C)Sc1ccc(cc1O)C 62a_100011215867_100012002257 [0,1,0,0,0,1|1,0,0]=3 3301 B13R1.2679 C=CC(C)Sc1ccc(cc1O)Cl 62a_100011215867_100000050036 [0,1,0,0,0,1|2,0,0]=4 3302 B13R1.2679 C=CC(C)Sc1ccc(cc1O)F 62a_100011215867_100000690578 [0,1,0,0,0,1|2,0,0]=4 3303 B13R1.2679 C=CC(C)Sc1ccc(cc1O)O 62a_100011215867_100009813921 [0,1,0,0,0,1|2,0,0]=4 3304 B13R1.2679 C=CC(C)Sc1ccc(nc1C)C 62a_100011215867_100009813853 [0,1,0,0,0,1|2,0,0]=4 3305 B13R1.2679 C=CC(C)Sc1ccc(nc1F)C 62a_100011215867_100010006597 [0,1,0,0,0,1|2,0,0]=4 3306 B13R1.2679 C=CC(C)Sc1ccc(nc1N)C 62a_100011215867_100009816662 [0,1,0,0,0,1|2,0,0]=4 3307 B13R1.2679 C=CC(C)Sc1ccc(nc1O)C 62a_100011215867_100009817604 [0,1,0,0,0,1|2,0,0]=4 3308 B13R1.2679 C=CC(C)Sc1cnc(cc1C)C 62a_100011215867_100009819613 [0,1,0,0,0,1|2,0,0]=4 3309 B13R1.2679 C=CC(C)Sc1cnc(cc1N)C 62a_100011215867_100009817891 [0,1,0,0,0,1|2,0,0]=4 3310 B13R1.2679 C=CC(C)Sc1cnc(cc1O)C 62a_100011215867_100011016184 [0,1,0,0,0,1|2,0,0]=4 3311 B13R1.2679 C=CC(C)Sc1ncc(cc1C)C 62a_100011215867_100009864548 [0,1,0,0,0,1|2,0,0]=4 3312 B13R1.2679 C=CC(C)Sc1ncc(cc1F)C 62a_100011215867_100009819633 [0,1,0,0,0,1|2,0,0]=4 3313 B13R1.2679 C=CC(C)Sc1ncc(cc1N)C 62a_100011215867_100000733613 [0,1,0,0,0,1|2,0,0]=4 3314 B13R1.2679 C=CC(C)Sc1ncc(cc1O)C 62a_100011215867_100012000487 [0,1,0,0,0,1|2,0,0]=4 3315 B13R1.2679 CCC(C)Nc1ccc(cc1Br)C 34a_100000210942_100011215416 [0,1,0,0,0,1|1,0,1]=4 3316 B13R1.2679 CCC(C)Nc1ccc(cc1C)C 34a_100000736561_100011215416 [0,1,0,0,0,1|1,0,1]=4 3317 B13R1.2679 CCC(C)Nc1ccc(cc1C)C 7a_100000736561_100000758301 [0,1,0,0,0,1|1,0,1]=4 3318 B13R1.2679 CCC(C)Nc1ccc(cc1Cl)C 34a_100000210522_100011215416 [0,1,0,0,0,1|1,0,1]=4 3319 B13R1.2679 CCC(C)Nc1ccc(cc1F)C 34a_100000211023_100011215416 [0,1,0,0,0,1|1,0,1]=4 3320 B13R1.2679 CCC(C)Nc1ccc(cc1I)C 34a_100011356834_100011215416 [0,1,0,0,0,1|1,0,1]=4 3321 B13R1.2679 CCC(C)Nc1ccc(cc1O)C 34a_100000211527_100011215416 [0,1,0,0,0,1|1,0,1]=4 3322 B13R1.2679 CCC(C)Oc1ccc(cc1Br)C 34a_100000210800_100011215416 [0,1,0,0,0,1|1,0,1]=4 3323 B13R1.2679 CCC(C)Oc1ccc(cc1Br)C 7a_100000210800_100000758301 [0,1,0,0,0,1|1,0,1]=4 3324 B13R1.2679 CCC(C)Oc1ccc(cc1C)C 34a_100000211776_100011215416 [0,1,0,0,0,1|1,0,1]=4 3325 B13R1.2679 CCC(C)Oc1ccc(cc1C)C 7a_100000211776_100000758301 [0,1,0,0,0,1|1,0,1]=4 3326 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)C 34a_100000749699_100011215416 [0,1,0,0,0,1|1,0,1]=4 3327 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)C 7a_100000749699_100000758301 [0,1,0,0,0,1|1,0,1]=4 3328 B13R1.2679 CCC(C)Oc1ccc(cc1F)C 34a_100011216688_100011215416 [0,1,0,0,0,1|1,0,1]=4 3329 B13R1.2679 CCC(C)Oc1ccc(cc1F)C 7a_100011216688_100000758301 [0,1,0,0,0,1|1,0,1]=4 3330 B13R1.2679 CCC(C)Oc1ccc(cc1I)C 34a_100000765521_100011215416 [0,1,0,0,0,1|1,0,1]=4 3331 B13R1.2679 CCC(C)Oc1ccc(cc1I)C 7a_100000765521_100000758301 [0,1,0,0,0,1|1,0,1]=4 3332 B13R1.2679 CCC(C)Oc1ccc(cc1N)C 34a_100011215204_100011215416 [0,1,0,0,0,1|1,0,1]=4 3333 B13R1.2679 CCC(C)Oc1ccc(cc1N)C 7a_100011215204_100000758301 [0,1,0,0,0,1|1,0,1]=4 3334 B13R1.2679 CCC(C)Sc1ccc(cc1Br)C 62a_100000758301_100009813563 [0,1,0,0,0,1|1,0,1]=4 3335 B13R1.2679 CCC(C)Sc1ccc(cc1Br)C 62a_100009813563_100000758301 [0,1,0,0,0,1|1,0,1]=4 3336 B13R1.2679 CCC(C)Sc1ccc(cc1C)C 62a_100000758301_100011217332 [0,1,0,0,0,1|1,0,1]=4 3337 B13R1.2679 CCC(C)Sc1ccc(cc1C)C 62a_100011217332_100000758301 [0,1,0,0,0,1|1,0,1]=4 3338 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)C 62a_100000758301_100011263221 [0,1,0,0,0,1|1,0,1]=4 3339 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)C 62a_100011263221_100000758301 [0,1,0,0,0,1|1,0,1]=4 3340 B13R1.2679 CCC(C)Sc1ccc(cc1F)C 62a_100000758301_100011216119 [0,1,0,0,0,1|1,0,1]=4 3341 B13R1.2679 CCC(C)Sc1ccc(cc1F)C 62a_100011216119_100000758301 [0,1,0,0,0,1|1,0,1]=4 3342 B13R1.2679 CCC(C)Sc1ccc(cc1N)C 62a_100000758301_100011216686 [0,1,0,0,0,1|1,0,1]=4 3343 B13R1.2679 CCC(C)Sc1ccc(cc1N)C 62a_100011216686_100000758301 [0,1,0,0,0,1|1,0,1]=4 3344 B13R1.2679 CCC(C)Sc1ccc(cc1O)C 62a_100000758301_100012002257 [0,1,0,0,0,1|1,0,1]=4 3345 B13R1.2679 CCC(C)Sc1ccc(cc1O)C 62a_100012002257_100000758301 [0,1,0,0,0,1|1,0,1]=4 3346 B13R1.2679 CNC(C)Cc1ccc(cc1C)C 270004a_106832991635_200000075425 [0,1,0,0,0,1|2,0,0]=4 3347 B13R1.2679 COC(C)Sc1ccc(cc1Br)C 62a_100009813563_100009879195 [0,1,0,0,0,1|2,0,0]=4 3348 B13R1.2679 COC(C)Sc1ccc(cc1Br)C 62a_100009879195_100009813563 [0,1,0,0,0,1|2,0,0]=4 3349 B13R1.2679 COC(C)Sc1ccc(cc1C)C 62a_100009879195_100011217332 [0,1,0,0,0,1|2,0,0]=4 3350 B13R1.2679 COC(C)Sc1ccc(cc1C)C 62a_100011217332_100009879195 [0,1,0,0,0,1|2,0,0]=4 3351 B13R1.2679 COC(C)Sc1ccc(cc1Cl)C 62a_100009879195_100011263221 [0,1,0,0,0,1|2,0,0]=4 3352 B13R1.2679 COC(C)Sc1ccc(cc1Cl)C 62a_100011263221_100009879195 [0,1,0,0,0,1|2,0,0]=4 3353 B13R1.2679 COC(C)Sc1ccc(cc1F)C 62a_100009879195_100011216119 [0,1,0,0,0,1|2,0,0]=4 3354 B13R1.2679 COC(C)Sc1ccc(cc1F)C 62a_100011216119_100009879195 [0,1,0,0,0,1|2,0,0]=4 3355 B13R1.2679 COC(C)Sc1ccc(cc1N)C 62a_100009879195_100011216686 [0,1,0,0,0,1|2,0,0]=4 3356 B13R1.2679 COC(C)Sc1ccc(cc1N)C 62a_100011216686_100009879195 [0,1,0,0,0,1|2,0,0]=4 3357 B13R1.2679 COC(C)Sc1ccc(cc1O)C 62a_100009879195_100012002257 [0,1,0,0,0,1|2,0,0]=4 3358 B13R1.2679 COC(C)Sc1ccc(cc1O)C 62a_100012002257_100009879195 [0,1,0,0,0,1|2,0,0]=4 3359 B13R1.2679 Cc1ccc(c(c1)Br)NC(C)CO 34a_100000210942_100012180447 [0,1,0,0,0,1|0,0,2]=4 3360 B13R1.2679 Cc1ccc(c(c1)Br)OC(C)C#N 7a_100000210800_100000703298 [0,1,0,0,0,1|1,0,1]=4 3361 B13R1.2679 Cc1ccc(c(c1)Br)OC(C)CO 34a_100000210800_100012180447 [0,1,0,0,0,1|0,0,2]=4 3362 B13R1.2679 Cc1ccc(c(c1)Br)OC(C)CO 7a_100000210800_100012180447 [0,1,0,0,0,1|0,0,2]=4 3363 B13R1.2679 Cc1ccc(c(c1)Br)SC(C)C#N 62a_100000703298_100009813563 [0,1,0,0,0,1|1,0,1]=4 3364 B13R1.2679 Cc1ccc(c(c1)Br)SC(C)C#N 62a_100009813563_100000703298 [0,1,0,0,0,1|1,0,1]=4 3365 B13R1.2679 Cc1ccc(c(c1)Br)SC(C)CO 62a_100012180447_100009813563 [0,1,0,0,0,1|0,0,2]=4 3366 B13R1.2679 Cc1ccc(c(c1)Br)S[C@H](C)CO 62a_100009813563_100016084084 [0,1,0,0,0,1|0,0,2]=4 3367 B13R1.2679 Cc1ccc(c(c1)Br)S[C@H](C)CO 62a_100016084084_100009813563 [0,1,0,0,0,1|0,0,2]=4 3368 B13R1.2679 Cc1ccc(c(c1)C)NC(C)C#N 7a_100000736561_100000703298 [0,1,0,0,0,1|1,0,1]=4 3369 B13R1.2679 Cc1ccc(c(c1)C)NC(C)CO 34a_100000736561_100012180447 [0,1,0,0,0,1|0,0,2]=4 3370 B13R1.2679 Cc1ccc(c(c1)C)NC(C)CO 7a_100000736561_100012180447 [0,1,0,0,0,1|0,0,2]=4 3371 B13R1.2679 Cc1ccc(c(c1)C)OC(C)C#N 7a_100000211776_100000703298 [0,1,0,0,0,1|1,0,1]=4 3372 B13R1.2679 Cc1ccc(c(c1)C)OC(C)CO 34a_100000211776_100012180447 [0,1,0,0,0,1|0,0,2]=4 3373 B13R1.2679 Cc1ccc(c(c1)C)OC(C)CO 7a_100000211776_100012180447 [0,1,0,0,0,1|0,0,2]=4 3374 B13R1.2679 Cc1ccc(c(c1)C)SC(C)C#N 62a_100000703298_100011217332 [0,1,0,0,0,1|1,0,1]=4 3375 B13R1.2679 Cc1ccc(c(c1)C)SC(C)C#N 62a_100011217332_100000703298 [0,1,0,0,0,1|1,0,1]=4 3376 B13R1.2679 Cc1ccc(c(c1)C)SC(C)CO 62a_100012180447_100011217332 [0,1,0,0,0,1|0,0,2]=4 3377 B13R1.2679 Cc1ccc(c(c1)C)S[C@H](C)CO 62a_100011217332_100016084084 [0,1,0,0,0,1|0,0,2]=4 3378 B13R1.2679 Cc1ccc(c(c1)C)S[C@H](C)CO 62a_100016084084_100011217332 [0,1,0,0,0,1|0,0,2]=4 3379 B13R1.2679 Cc1ccc(c(c1)Cl)NC(C)CO 34a_100000210522_100012180447 [0,1,0,0,0,1|0,0,2]=4 3380 B13R1.2679 Cc1ccc(c(c1)Cl)OC(C)C#N 7a_100000749699_100000703298 [0,1,0,0,0,1|1,0,1]=4 3381 B13R1.2679 Cc1ccc(c(c1)Cl)OC(C)CO 34a_100000749699_100012180447 [0,1,0,0,0,1|0,0,2]=4 3382 B13R1.2679 Cc1ccc(c(c1)Cl)OC(C)CO 7a_100000749699_100012180447 [0,1,0,0,0,1|0,0,2]=4 3383 B13R1.2679 Cc1ccc(c(c1)Cl)SC(C)C#N 62a_100000703298_100011263221 [0,1,0,0,0,1|1,0,1]=4 3384 B13R1.2679 Cc1ccc(c(c1)Cl)SC(C)C#N 62a_100011263221_100000703298 [0,1,0,0,0,1|1,0,1]=4 3385 B13R1.2679 Cc1ccc(c(c1)Cl)SC(C)CO 62a_100012180447_100011263221 [0,1,0,0,0,1|0,0,2]=4 3386 B13R1.2679 Cc1ccc(c(c1)Cl)S[C@H](C)CO 62a_100011263221_100016084084 [0,1,0,0,0,1|0,0,2]=4 3387 B13R1.2679 Cc1ccc(c(c1)Cl)S[C@H](C)CO 62a_100016084084_100011263221 [0,1,0,0,0,1|0,0,2]=4 3388 B13R1.2679 Cc1ccc(c(c1)F)NC(C)CO 34a_100000211023_100012180447 [0,1,0,0,0,1|0,0,2]=4 3389 B13R1.2679 Cc1ccc(c(c1)F)OC(C)C#N 7a_100011216688_100000703298 [0,1,0,0,0,1|1,0,1]=4 3390 B13R1.2679 Cc1ccc(c(c1)F)OC(C)CO 34a_100011216688_100012180447 [0,1,0,0,0,1|0,0,2]=4 3391 B13R1.2679 Cc1ccc(c(c1)F)OC(C)CO 7a_100011216688_100012180447 [0,1,0,0,0,1|0,0,2]=4 3392 B13R1.2679 Cc1ccc(c(c1)F)SC(C)C#N 62a_100000703298_100011216119 [0,1,0,0,0,1|1,0,1]=4 3393 B13R1.2679 Cc1ccc(c(c1)F)SC(C)C#N 62a_100011216119_100000703298 [0,1,0,0,0,1|1,0,1]=4 3394 B13R1.2679 Cc1ccc(c(c1)F)SC(C)CO 62a_100012180447_100011216119 [0,1,0,0,0,1|0,0,2]=4 3395 B13R1.2679 Cc1ccc(c(c1)F)S[C@H](C)CO 62a_100011216119_100016084084 [0,1,0,0,0,1|0,0,2]=4 3396 B13R1.2679 Cc1ccc(c(c1)F)S[C@H](C)CO 62a_100016084084_100011216119 [0,1,0,0,0,1|0,0,2]=4 3397 B13R1.2679 Cc1ccc(c(c1)I)NC(C)CO 34a_100011356834_100012180447 [0,1,0,0,0,1|0,0,2]=4 3398 B13R1.2679 Cc1ccc(c(c1)I)OC(C)C#N 7a_100000765521_100000703298 [0,1,0,0,0,1|1,0,1]=4 3399 B13R1.2679 Cc1ccc(c(c1)I)OC(C)CO 34a_100000765521_100012180447 [0,1,0,0,0,1|0,0,2]=4 3400 B13R1.2679 Cc1ccc(c(c1)I)OC(C)CO 7a_100000765521_100012180447 [0,1,0,0,0,1|0,0,2]=4 3401 B13R1.2679 Cc1ccc(c(c1)N)OC(C)C#N 7a_100011215204_100000703298 [0,1,0,0,0,1|1,0,1]=4 3402 B13R1.2679 Cc1ccc(c(c1)N)OC(C)CO 34a_100011215204_100012180447 [0,1,0,0,0,1|0,0,2]=4 3403 B13R1.2679 Cc1ccc(c(c1)N)OC(C)CO 7a_100011215204_100012180447 [0,1,0,0,0,1|0,0,2]=4 3404 B13R1.2679 Cc1ccc(c(c1)N)SC(C)C#N 62a_100000703298_100011216686 [0,1,0,0,0,1|1,0,1]=4 3405 B13R1.2679 Cc1ccc(c(c1)N)SC(C)C#N 62a_100011216686_100000703298 [0,1,0,0,0,1|1,0,1]=4 3406 B13R1.2679 Cc1ccc(c(c1)N)SC(C)CO 62a_100012180447_100011216686 [0,1,0,0,0,1|0,0,2]=4 3407 B13R1.2679 Cc1ccc(c(c1)N)S[C@H](C)CO 62a_100011216686_100016084084 [0,1,0,0,0,1|0,0,2]=4 3408 B13R1.2679 Cc1ccc(c(c1)N)S[C@H](C)CO 62a_100016084084_100011216686 [0,1,0,0,0,1|0,0,2]=4 3409 B13R1.2679 Cc1ccc(c(c1)O)NC(C)CO 34a_100000211527_100012180447 [0,1,0,0,0,1|0,0,2]=4 3410 B13R1.2679 Cc1ccc(c(c1)O)SC(C)C#N 62a_100000703298_100012002257 [0,1,0,0,0,1|1,0,1]=4 3411 B13R1.2679 Cc1ccc(c(c1)O)SC(C)C#N 62a_100012002257_100000703298 [0,1,0,0,0,1|1,0,1]=4 3412 B13R1.2679 Cc1ccc(c(c1)O)SC(C)CO 62a_100012180447_100012002257 [0,1,0,0,0,1|0,0,2]=4 3413 B13R1.2679 Cc1ccc(c(c1)O)S[C@H](C)CO 62a_100012002257_100016084084 [0,1,0,0,0,1|0,0,2]=4 3414 B13R1.2679 Cc1ccc(c(c1)O)S[C@H](C)CO 62a_100016084084_100012002257 [0,1,0,0,0,1|0,0,2]=4 3415 B13R1.2879 C#CC(C)Nc1ccc(c(c1)Br)C 34a_100000736455_200000035995 [0,1,0,0,0,1|1,0,1]=4 3416 B13R1.2879 C#CC(C)Nc1ccc(c(c1)C)C 34a_100000724040_200000035995 [0,1,0,0,0,1|1,0,1]=4 3417 B13R1.2879 C#CC(C)Nc1ccc(c(c1)Cl)C 34a_100000188892_200000035995 [0,1,0,0,0,1|1,0,1]=4 3418 B13R1.2879 C#CC(C)Nc1ccc(c(c1)F)C 34a_100000210958_200000035995 [0,1,0,0,0,1|1,0,1]=4 3419 B13R1.2879 C#CC(C)Nc1ccc(c(c1)I)C 34a_100000184131_200000035995 [0,1,0,0,0,1|1,0,1]=4 3420 B13R1.2879 C#CC(C)Nc1ccc(c(c1)O)C 34a_100000759471_200000035995 [0,1,0,0,0,1|1,0,1]=4 3421 B13R1.2879 C#CC(C)Oc1ccc(c(c1)Br)C 34a_100011380479_200000035995 [0,1,0,0,0,1|1,0,1]=4 3422 B13R1.2879 C#CC(C)Oc1ccc(c(c1)C)C 34a_100000210932_200000035995 [0,1,0,0,0,1|1,0,1]=4 3423 B13R1.2879 C#CC(C)Oc1ccc(c(c1)Cl)C 34a_100011265682_200000035995 [0,1,0,0,0,1|1,0,1]=4 3424 B13R1.2879 C#CC(C)Oc1ccc(c(c1)F)C 34a_100000722560_200000035995 [0,1,0,0,0,1|1,0,1]=4 3425 B13R1.2879 C#CC(C)Oc1ccc(c(c1)N)C 34a_100011216113_200000035995 [0,1,0,0,0,1|1,0,1]=4 3426 B13R1.2879 C#CC(C)Sc1ccc(c(c1)Br)C 62a_200000035995_100011847877 [0,1,0,0,0,1|1,0,1]=4 3427 B13R1.2879 C#CC(C)Sc1ccc(c(c1)C)C 62a_200000035995_100011215607 [0,1,0,0,0,1|1,0,1]=4 3428 B13R1.2879 C#CC(C)Sc1ccc(c(c1)Cl)C 62a_200000035995_100011216363 [0,1,0,0,0,1|1,0,1]=4 3429 B13R1.2879 C#CC(C)Sc1ccc(c(c1)F)C 62a_200000035995_100000720648 [0,1,0,0,0,1|1,0,1]=4 3430 B13R1.2879 C#CC(C)Sc1ccc(c(c1)N)C 62a_200000035995_100000761890 [0,1,0,0,0,1|1,0,1]=4 3431 B13R1.2879 C#CC(C)Sc1ccc(c(c1)O)C 62a_200000035995_100000685420 [0,1,0,0,0,1|1,0,1]=4 3432 B13R1.2879 C=CC(C)Sc1cc(c(cn1)C)C 62a_100011215867_100009850809 [0,1,0,0,0,1|2,0,0]=4 3433 B13R1.2879 C=CC(C)Sc1cc(c(cn1)C)F 62a_100011215867_100009841206 [0,1,0,0,0,1|2,0,0]=4 3434 B13R1.2879 C=CC(C)Sc1cc(c(cn1)C)N 62a_100011215867_100000126663 [0,1,0,0,0,1|2,0,0]=4 3435 B13R1.2879 C=CC(C)Sc1cc(c(cn1)C)O 62a_100011215867_100000704368 [0,1,0,0,0,1|2,0,0]=4 3436 B13R1.2879 C=CC(C)Sc1ccc([n+](c1)[O-])C 62a_100011215867_100000703231 [0,1,0,0,0,1|2,0,0]=4 3437 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Br)Br 62a_100011215867_100012356285 [0,1,0,0,0,1|2,0,0]=4 3438 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Br)C 62a_100011215867_100011847877 [0,1,0,0,0,1|1,0,0]=3 3439 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Br)Cl 62a_100011215867_100012353702 [0,1,0,0,0,1|2,0,0]=4 3440 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Br)F 62a_100011215867_100012047266 [0,1,0,0,0,1|2,0,0]=4 3441 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Br)N 62a_100011215867_100000750455 [0,1,0,0,0,1|2,0,0]=4 3442 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Br)O 62a_100011215867_100012361655 [0,1,0,0,0,1|2,0,0]=4 3443 B13R1.2879 C=CC(C)Sc1ccc(c(c1)C)Br 62a_100011215867_100009813585 [0,1,0,0,0,1|2,0,0]=4 3444 B13R1.2879 C=CC(C)Sc1ccc(c(c1)C)C 62a_100011215867_100011215607 [0,1,0,0,0,1|1,0,0]=3 3445 B13R1.2879 C=CC(C)Sc1ccc(c(c1)C)Cl 62a_100011215867_100000049509 [0,1,0,0,0,1|2,0,0]=4 3446 B13R1.2879 C=CC(C)Sc1ccc(c(c1)C)F 62a_100011215867_100011218330 [0,1,0,0,0,1|2,0,0]=4 3447 B13R1.2879 C=CC(C)Sc1ccc(c(c1)C)N 62a_100011215867_100000211769 [0,1,0,0,0,1|2,0,0]=4 3448 B13R1.2879 C=CC(C)Sc1ccc(c(c1)C)O 62a_100011215867_100000186361 [0,1,0,0,0,1|2,0,0]=4 3449 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Cl)Br 62a_100011215867_100012047281 [0,1,0,0,0,1|2,0,0]=4 3450 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Cl)C 62a_100011215867_100011216363 [0,1,0,0,0,1|1,0,0]=3 3451 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Cl)Cl 62a_100011215867_100011214914 [0,1,0,0,0,1|2,0,0]=4 3452 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Cl)F 62a_100011215867_100011215976 [0,1,0,0,0,1|2,0,0]=4 3453 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Cl)N 62a_100011215867_100011218065 [0,1,0,0,0,1|2,0,0]=4 3454 B13R1.2879 C=CC(C)Sc1ccc(c(c1)Cl)O 62a_100011215867_100012360047 [0,1,0,0,0,1|2,0,0]=4 3455 B13R1.2879 C=CC(C)Sc1ccc(c(c1)F)Br 62a_100011215867_100000685389 [0,1,0,0,0,1|2,0,0]=4 3456 B13R1.2879 C=CC(C)Sc1ccc(c(c1)F)C 62a_100011215867_100000720648 [0,1,0,0,0,1|1,0,0]=3 3457 B13R1.2879 C=CC(C)Sc1ccc(c(c1)F)Cl 62a_100011215867_100011216805 [0,1,0,0,0,1|2,0,0]=4 3458 B13R1.2879 C=CC(C)Sc1ccc(c(c1)F)F 62a_100011215867_100000703953 [0,1,0,0,0,1|2,0,0]=4 3459 B13R1.2879 C=CC(C)Sc1ccc(c(c1)F)N 62a_100011215867_100011215594 [0,1,0,0,0,1|2,0,0]=4 3460 B13R1.2879 C=CC(C)Sc1ccc(c(c1)F)O 62a_100011215867_100000185481 [0,1,0,0,0,1|2,0,0]=4 3461 B13R1.2879 C=CC(C)Sc1ccc(c(c1)N)Br 62a_100011215867_100000750456 [0,1,0,0,0,1|2,0,0]=4 3462 B13R1.2879 C=CC(C)Sc1ccc(c(c1)N)C 62a_100011215867_100000761890 [0,1,0,0,0,1|1,0,0]=3 3463 B13R1.2879 C=CC(C)Sc1ccc(c(c1)N)Cl 62a_100011215867_200000761891 [0,1,0,0,0,1|2,0,0]=4 3464 B13R1.2879 C=CC(C)Sc1ccc(c(c1)N)F 62a_100011215867_100000740924 [0,1,0,0,0,1|2,0,0]=4 3465 B13R1.2879 C=CC(C)Sc1ccc(c(c1)N)N 62a_100011215867_100011534411 [0,1,0,0,0,1|2,0,0]=4 3466 B13R1.2879 C=CC(C)Sc1ccc(c(c1)N)O 62a_100011215867_100000752626 [0,1,0,0,0,1|2,0,0]=4 3467 B13R1.2879 C=CC(C)Sc1ccc(c(c1)O)Br 62a_100011215867_100012356990 [0,1,0,0,0,1|2,0,0]=4 3468 B13R1.2879 C=CC(C)Sc1ccc(c(c1)O)C 62a_100011215867_100000685420 [0,1,0,0,0,1|1,0,0]=3 3469 B13R1.2879 C=CC(C)Sc1ccc(c(c1)O)Cl 62a_100011215867_100011356854 [0,1,0,0,0,1|2,0,0]=4 3470 B13R1.2879 C=CC(C)Sc1ccc(c(c1)O)F 62a_100011215867_100000686035 [0,1,0,0,0,1|2,0,0]=4 3471 B13R1.2879 C=CC(C)Sc1ccc(c(c1)O)N 62a_100011215867_100000739049 [0,1,0,0,0,1|2,0,0]=4 3472 B13R1.2879 C=CC(C)Sc1ccc(c(c1)O)O 62a_100011215867_100009813601 [0,1,0,0,0,1|2,0,0]=4 3473 B13R1.2879 C=CC(C)Sc1ccc(c(n1)C)C 62a_100011215867_100000103781 [0,1,0,0,0,1|2,0,0]=4 3474 B13R1.2879 C=CC(C)Sc1ccc(c(n1)N)C 62a_100011215867_100009857032 [0,1,0,0,0,1|2,0,0]=4 3475 B13R1.2879 C=CC(C)Sc1ccn(c(=O)c1)C 62a_100011215867_100009820031 [0,1,0,0,0,1|2,0,0]=4 3476 B13R1.2879 C=CC(C)Sc1cnc(c(c1)C)C 62a_100011215867_100000697892 [0,1,0,0,0,1|2,0,0]=4 3477 B13R1.2879 C=CC(C)Sc1cnc(c(c1)F)C 62a_100011215867_100009845756 [0,1,0,0,0,1|2,0,0]=4 3478 B13R1.2879 C=CC(C)Sc1cnc(c(c1)N)C 62a_100011215867_100011999542 [0,1,0,0,0,1|2,0,0]=4 3479 B13R1.2879 C=CC(C)Sc1cnc(c(c1)O)C 62a_100011215867_100009864810 [0,1,0,0,0,1|2,0,0]=4 3480 B13R1.2879 CCC(C)Nc1ccc(c(c1)Br)C 2230a_100000736455_100000758301 [0,1,0,0,0,1|1,0,1]=4 3481 B13R1.2879 CCC(C)Nc1ccc(c(c1)Br)C 34a_100000736455_100011215416 [0,1,0,0,0,1|1,0,1]=4 3482 B13R1.2879 CCC(C)Nc1ccc(c(c1)Br)C 7a_100000736455_100000758301 [0,1,0,0,0,1|1,0,1]=4 3483 B13R1.2879 CCC(C)Nc1ccc(c(c1)C)C 2230a_100000724040_100000758301 [0,1,0,0,0,1|1,0,1]=4 3484 B13R1.2879 CCC(C)Nc1ccc(c(c1)C)C 34a_100000724040_100011215416 [0,1,0,0,0,1|1,0,1]=4 3485 B13R1.2879 CCC(C)Nc1ccc(c(c1)C)C 7a_100000724040_100000758301 [0,1,0,0,0,1|1,0,1]=4 3486 B13R1.2879 CCC(C)Nc1ccc(c(c1)Cl)C 2230a_100000188892_100000758301 [0,1,0,0,0,1|1,0,1]=4 3487 B13R1.2879 CCC(C)Nc1ccc(c(c1)Cl)C 34a_100000188892_100011215416 [0,1,0,0,0,1|1,0,1]=4 3488 B13R1.2879 CCC(C)Nc1ccc(c(c1)Cl)C 7a_100000188892_100000758301 [0,1,0,0,0,1|1,0,1]=4 3489 B13R1.2879 CCC(C)Nc1ccc(c(c1)F)C 2230a_100000210958_100000758301 [0,1,0,0,0,1|1,0,1]=4 3490 B13R1.2879 CCC(C)Nc1ccc(c(c1)F)C 34a_100000210958_100011215416 [0,1,0,0,0,1|1,0,1]=4 3491 B13R1.2879 CCC(C)Nc1ccc(c(c1)F)C 7a_100000210958_100000758301 [0,1,0,0,0,1|1,0,1]=4 3492 B13R1.2879 CCC(C)Nc1ccc(c(c1)I)C 34a_100000184131_100011215416 [0,1,0,0,0,1|1,0,1]=4 3493 B13R1.2879 CCC(C)Nc1ccc(c(c1)I)C 7a_100000184131_100000758301 [0,1,0,0,0,1|1,0,1]=4 3494 B13R1.2879 CCC(C)Nc1ccc(c(c1)O)C 34a_100000759471_100011215416 [0,1,0,0,0,1|1,0,1]=4 3495 B13R1.2879 CCC(C)Nc1ccc(c(c1)O)C 7a_100000759471_100000758301 [0,1,0,0,0,1|1,0,1]=4 3496 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)C 34a_100011380479_100011215416 [0,1,0,0,0,1|1,0,1]=4 3497 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)C 7a_100011380479_100000758301 [0,1,0,0,0,1|1,0,1]=4 3498 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)C 34a_100000210932_100011215416 [0,1,0,0,0,1|1,0,1]=4 3499 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)C 7a_100000210932_100000758301 [0,1,0,0,0,1|1,0,1]=4 3500 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)C 34a_100011265682_100011215416 [0,1,0,0,0,1|1,0,1]=4 3501 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)C 7a_100011265682_100000758301 [0,1,0,0,0,1|1,0,1]=4 3502 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)C 34a_100000722560_100011215416 [0,1,0,0,0,1|1,0,1]=4 3503 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)C 7a_100000722560_100000758301 [0,1,0,0,0,1|1,0,1]=4 3504 B13R1.2879 CCC(C)Oc1ccc(c(c1)N)C 34a_100011216113_100011215416 [0,1,0,0,0,1|1,0,1]=4 3505 B13R1.2879 CCC(C)Oc1ccc(c(c1)N)C 7a_100011216113_100000758301 [0,1,0,0,0,1|1,0,1]=4 3506 B13R1.2879 CCC(C)Sc1ccc(c(c1)Br)C 62a_100000758301_100011847877 [0,1,0,0,0,1|1,0,1]=4 3507 B13R1.2879 CCC(C)Sc1ccc(c(c1)Br)C 62a_100011847877_100000758301 [0,1,0,0,0,1|1,0,1]=4 3508 B13R1.2879 CCC(C)Sc1ccc(c(c1)C)C 62a_100000758301_100011215607 [0,1,0,0,0,1|1,0,1]=4 3509 B13R1.2879 CCC(C)Sc1ccc(c(c1)C)C 62a_100011215607_100000758301 [0,1,0,0,0,1|1,0,1]=4 3510 B13R1.2879 CCC(C)Sc1ccc(c(c1)Cl)C 62a_100000758301_100011216363 [0,1,0,0,0,1|1,0,1]=4 3511 B13R1.2879 CCC(C)Sc1ccc(c(c1)Cl)C 62a_100011216363_100000758301 [0,1,0,0,0,1|1,0,1]=4 3512 B13R1.2879 CCC(C)Sc1ccc(c(c1)F)C 62a_100000720648_100000758301 [0,1,0,0,0,1|1,0,1]=4 3513 B13R1.2879 CCC(C)Sc1ccc(c(c1)F)C 62a_100000758301_100000720648 [0,1,0,0,0,1|1,0,1]=4 3514 B13R1.2879 CCC(C)Sc1ccc(c(c1)N)C 62a_100000758301_100000761890 [0,1,0,0,0,1|1,0,1]=4 3515 B13R1.2879 CCC(C)Sc1ccc(c(c1)N)C 62a_100000761890_100000758301 [0,1,0,0,0,1|1,0,1]=4 3516 B13R1.2879 CCC(C)Sc1ccc(c(c1)O)C 62a_100000685420_100000758301 [0,1,0,0,0,1|1,0,1]=4 3517 B13R1.2879 CCC(C)Sc1ccc(c(c1)O)C 62a_100000758301_100000685420 [0,1,0,0,0,1|1,0,1]=4 3518 B13R1.2879 COC(C)Sc1ccc(c(c1)Br)C 62a_100009879195_100011847877 [0,1,0,0,0,1|2,0,0]=4 3519 B13R1.2879 COC(C)Sc1ccc(c(c1)Br)C 62a_100011847877_100009879195 [0,1,0,0,0,1|2,0,0]=4 3520 B13R1.2879 COC(C)Sc1ccc(c(c1)C)C 62a_100009879195_100011215607 [0,1,0,0,0,1|2,0,0]=4 3521 B13R1.2879 COC(C)Sc1ccc(c(c1)C)C 62a_100011215607_100009879195 [0,1,0,0,0,1|2,0,0]=4 3522 B13R1.2879 COC(C)Sc1ccc(c(c1)Cl)C 62a_100009879195_100011216363 [0,1,0,0,0,1|2,0,0]=4 3523 B13R1.2879 COC(C)Sc1ccc(c(c1)Cl)C 62a_100011216363_100009879195 [0,1,0,0,0,1|2,0,0]=4 3524 B13R1.2879 COC(C)Sc1ccc(c(c1)F)C 62a_100000720648_100009879195 [0,1,0,0,0,1|2,0,0]=4 3525 B13R1.2879 COC(C)Sc1ccc(c(c1)F)C 62a_100009879195_100000720648 [0,1,0,0,0,1|2,0,0]=4 3526 B13R1.2879 COC(C)Sc1ccc(c(c1)N)C 62a_100000761890_100009879195 [0,1,0,0,0,1|2,0,0]=4 3527 B13R1.2879 COC(C)Sc1ccc(c(c1)N)C 62a_100009879195_100000761890 [0,1,0,0,0,1|2,0,0]=4 3528 B13R1.2879 COC(C)Sc1ccc(c(c1)O)C 62a_100000685420_100009879195 [0,1,0,0,0,1|2,0,0]=4 3529 B13R1.2879 COC(C)Sc1ccc(c(c1)O)C 62a_100009879195_100000685420 [0,1,0,0,0,1|2,0,0]=4 3530 B13R1.2879 Cc1ccc(cc1Br)NC(C)C#N 2230a_100000736455_100000184139 [0,1,0,0,0,1|1,0,1]=4 3531 B13R1.2879 Cc1ccc(cc1Br)NC(C)C#N 7a_100000736455_100000703298 [0,1,0,0,0,1|1,0,1]=4 3532 B13R1.2879 Cc1ccc(cc1Br)NC(C)CO 2230a_100000736455_100012180447 [0,1,0,0,0,1|0,0,2]=4 3533 B13R1.2879 Cc1ccc(cc1Br)NC(C)CO 34a_100000736455_100012180447 [0,1,0,0,0,1|0,0,2]=4 3534 B13R1.2879 Cc1ccc(cc1Br)NC(C)CO 7a_100000736455_100012180447 [0,1,0,0,0,1|0,0,2]=4 3535 B13R1.2879 Cc1ccc(cc1Br)OC(C)C#N 7a_100011380479_100000703298 [0,1,0,0,0,1|1,0,1]=4 3536 B13R1.2879 Cc1ccc(cc1Br)OC(C)CO 34a_100011380479_100012180447 [0,1,0,0,0,1|0,0,2]=4 3537 B13R1.2879 Cc1ccc(cc1Br)OC(C)CO 7a_100011380479_100012180447 [0,1,0,0,0,1|0,0,2]=4 3538 B13R1.2879 Cc1ccc(cc1Br)SC(C)C#N 62a_100000703298_100011847877 [0,1,0,0,0,1|1,0,1]=4 3539 B13R1.2879 Cc1ccc(cc1Br)SC(C)C#N 62a_100011847877_100000703298 [0,1,0,0,0,1|1,0,1]=4 3540 B13R1.2879 Cc1ccc(cc1Br)SC(C)CO 62a_100012180447_100011847877 [0,1,0,0,0,1|0,0,2]=4 3541 B13R1.2879 Cc1ccc(cc1Br)S[C@H](C)CO 62a_100011847877_100016084084 [0,1,0,0,0,1|0,0,2]=4 3542 B13R1.2879 Cc1ccc(cc1Br)S[C@H](C)CO 62a_100016084084_100011847877 [0,1,0,0,0,1|0,0,2]=4 3543 B13R1.2879 Cc1ccc(cc1C)NC(C)C#N 2230a_100000724040_100000184139 [0,1,0,0,0,1|1,0,1]=4 3544 B13R1.2879 Cc1ccc(cc1C)NC(C)C#N 7a_100000724040_100000703298 [0,1,0,0,0,1|1,0,1]=4 3545 B13R1.2879 Cc1ccc(cc1C)NC(C)CO 2230a_100000724040_100012180447 [0,1,0,0,0,1|0,0,2]=4 3546 B13R1.2879 Cc1ccc(cc1C)NC(C)CO 34a_100000724040_100012180447 [0,1,0,0,0,1|0,0,2]=4 3547 B13R1.2879 Cc1ccc(cc1C)NC(C)CO 7a_100000724040_100012180447 [0,1,0,0,0,1|0,0,2]=4 3548 B13R1.2879 Cc1ccc(cc1C)OC(C)C#N 7a_100000210932_100000703298 [0,1,0,0,0,1|1,0,1]=4 3549 B13R1.2879 Cc1ccc(cc1C)OC(C)CO 34a_100000210932_100012180447 [0,1,0,0,0,1|0,0,2]=4 3550 B13R1.2879 Cc1ccc(cc1C)OC(C)CO 7a_100000210932_100012180447 [0,1,0,0,0,1|0,0,2]=4 3551 B13R1.2879 Cc1ccc(cc1C)SC(C)C#N 62a_100000703298_100011215607 [0,1,0,0,0,1|1,0,1]=4 3552 B13R1.2879 Cc1ccc(cc1C)SC(C)C#N 62a_100011215607_100000703298 [0,1,0,0,0,1|1,0,1]=4 3553 B13R1.2879 Cc1ccc(cc1C)SC(C)CO 62a_100012180447_100011215607 [0,1,0,0,0,1|0,0,2]=4 3554 B13R1.2879 Cc1ccc(cc1C)S[C@H](C)CO 62a_100011215607_100016084084 [0,1,0,0,0,1|0,0,2]=4 3555 B13R1.2879 Cc1ccc(cc1C)S[C@H](C)CO 62a_100016084084_100011215607 [0,1,0,0,0,1|0,0,2]=4 3556 B13R1.2879 Cc1ccc(cc1Cl)NC(C)C#N 2230a_100000188892_100000184139 [0,1,0,0,0,1|1,0,1]=4 3557 B13R1.2879 Cc1ccc(cc1Cl)NC(C)C#N 7a_100000188892_100000703298 [0,1,0,0,0,1|1,0,1]=4 3558 B13R1.2879 Cc1ccc(cc1Cl)NC(C)CO 2230a_100000188892_100012180447 [0,1,0,0,0,1|0,0,2]=4 3559 B13R1.2879 Cc1ccc(cc1Cl)NC(C)CO 34a_100000188892_100012180447 [0,1,0,0,0,1|0,0,2]=4 3560 B13R1.2879 Cc1ccc(cc1Cl)NC(C)CO 7a_100000188892_100012180447 [0,1,0,0,0,1|0,0,2]=4 3561 B13R1.2879 Cc1ccc(cc1Cl)OC(C)C#N 7a_100011265682_100000703298 [0,1,0,0,0,1|1,0,1]=4 3562 B13R1.2879 Cc1ccc(cc1Cl)OC(C)CO 34a_100011265682_100012180447 [0,1,0,0,0,1|0,0,2]=4 3563 B13R1.2879 Cc1ccc(cc1Cl)OC(C)CO 7a_100011265682_100012180447 [0,1,0,0,0,1|0,0,2]=4 3564 B13R1.2879 Cc1ccc(cc1Cl)SC(C)C#N 62a_100000703298_100011216363 [0,1,0,0,0,1|1,0,1]=4 3565 B13R1.2879 Cc1ccc(cc1Cl)SC(C)C#N 62a_100011216363_100000703298 [0,1,0,0,0,1|1,0,1]=4 3566 B13R1.2879 Cc1ccc(cc1Cl)SC(C)CO 62a_100012180447_100011216363 [0,1,0,0,0,1|0,0,2]=4 3567 B13R1.2879 Cc1ccc(cc1Cl)S[C@H](C)CO 62a_100011216363_100016084084 [0,1,0,0,0,1|0,0,2]=4 3568 B13R1.2879 Cc1ccc(cc1Cl)S[C@H](C)CO 62a_100016084084_100011216363 [0,1,0,0,0,1|0,0,2]=4 3569 B13R1.2879 Cc1ccc(cc1F)NC(C)C#N 2230a_100000210958_100000184139 [0,1,0,0,0,1|1,0,1]=4 3570 B13R1.2879 Cc1ccc(cc1F)NC(C)C#N 7a_100000210958_100000703298 [0,1,0,0,0,1|1,0,1]=4 3571 B13R1.2879 Cc1ccc(cc1F)NC(C)CO 2230a_100000210958_100012180447 [0,1,0,0,0,1|0,0,2]=4 3572 B13R1.2879 Cc1ccc(cc1F)NC(C)CO 34a_100000210958_100012180447 [0,1,0,0,0,1|0,0,2]=4 3573 B13R1.2879 Cc1ccc(cc1F)NC(C)CO 7a_100000210958_100012180447 [0,1,0,0,0,1|0,0,2]=4 3574 B13R1.2879 Cc1ccc(cc1F)OC(C)C#N 7a_100000722560_100000703298 [0,1,0,0,0,1|1,0,1]=4 3575 B13R1.2879 Cc1ccc(cc1F)OC(C)CO 34a_100000722560_100012180447 [0,1,0,0,0,1|0,0,2]=4 3576 B13R1.2879 Cc1ccc(cc1F)OC(C)CO 7a_100000722560_100012180447 [0,1,0,0,0,1|0,0,2]=4 3577 B13R1.2879 Cc1ccc(cc1F)SC(C)C#N 62a_100000703298_100000720648 [0,1,0,0,0,1|1,0,1]=4 3578 B13R1.2879 Cc1ccc(cc1F)SC(C)C#N 62a_100000720648_100000703298 [0,1,0,0,0,1|1,0,1]=4 3579 B13R1.2879 Cc1ccc(cc1F)SC(C)CO 62a_100012180447_100000720648 [0,1,0,0,0,1|0,0,2]=4 3580 B13R1.2879 Cc1ccc(cc1F)S[C@H](C)CO 62a_100000720648_100016084084 [0,1,0,0,0,1|0,0,2]=4 3581 B13R1.2879 Cc1ccc(cc1F)S[C@H](C)CO 62a_100016084084_100000720648 [0,1,0,0,0,1|0,0,2]=4 3582 B13R1.2879 Cc1ccc(cc1I)NC(C)C#N 7a_100000184131_100000703298 [0,1,0,0,0,1|1,0,1]=4 3583 B13R1.2879 Cc1ccc(cc1I)NC(C)CO 34a_100000184131_100012180447 [0,1,0,0,0,1|0,0,2]=4 3584 B13R1.2879 Cc1ccc(cc1I)NC(C)CO 7a_100000184131_100012180447 [0,1,0,0,0,1|0,0,2]=4 3585 B13R1.2879 Cc1ccc(cc1N)OC(C)C#N 7a_100011216113_100000703298 [0,1,0,0,0,1|1,0,1]=4 3586 B13R1.2879 Cc1ccc(cc1N)OC(C)CO 34a_100011216113_100012180447 [0,1,0,0,0,1|0,0,2]=4 3587 B13R1.2879 Cc1ccc(cc1N)OC(C)CO 7a_100011216113_100012180447 [0,1,0,0,0,1|0,0,2]=4 3588 B13R1.2879 Cc1ccc(cc1N)SC(C)C#N 62a_100000703298_100000761890 [0,1,0,0,0,1|1,0,1]=4 3589 B13R1.2879 Cc1ccc(cc1N)SC(C)C#N 62a_100000761890_100000703298 [0,1,0,0,0,1|1,0,1]=4 3590 B13R1.2879 Cc1ccc(cc1N)SC(C)CO 62a_100012180447_100000761890 [0,1,0,0,0,1|0,0,2]=4 3591 B13R1.2879 Cc1ccc(cc1N)S[C@H](C)CO 62a_100000761890_100016084084 [0,1,0,0,0,1|0,0,2]=4 3592 B13R1.2879 Cc1ccc(cc1N)S[C@H](C)CO 62a_100016084084_100000761890 [0,1,0,0,0,1|0,0,2]=4 3593 B13R1.2879 Cc1ccc(cc1O)NC(C)C#N 7a_100000759471_100000703298 [0,1,0,0,0,1|1,0,1]=4 3594 B13R1.2879 Cc1ccc(cc1O)NC(C)CO 34a_100000759471_100012180447 [0,1,0,0,0,1|0,0,2]=4 3595 B13R1.2879 Cc1ccc(cc1O)NC(C)CO 7a_100000759471_100012180447 [0,1,0,0,0,1|0,0,2]=4 3596 B13R1.2879 Cc1ccc(cc1O)SC(C)C#N 62a_100000685420_100000703298 [0,1,0,0,0,1|1,0,1]=4 3597 B13R1.2879 Cc1ccc(cc1O)SC(C)C#N 62a_100000703298_100000685420 [0,1,0,0,0,1|1,0,1]=4 3598 B13R1.2879 Cc1ccc(cc1O)SC(C)CO 62a_100012180447_100000685420 [0,1,0,0,0,1|0,0,2]=4 3599 B13R1.2879 Cc1ccc(cc1O)S[C@H](C)CO 62a_100000685420_100016084084 [0,1,0,0,0,1|0,0,2]=4 3600 B13R1.2879 Cc1ccc(cc1O)S[C@H](C)CO 62a_100016084084_100000685420 [0,1,0,0,0,1|0,0,2]=4 3601 B13R1.36 C=Cc1ccc(cc1)N(C)C(=O)C 271570a_100011290941_200009816415 [0,2,0,0,0,0|1,0,1]=4 3602 B13R1.36 CC(=C(C)c1ccc(cc1)CF)C 271570a_200000049429_100010268989 [0,2,0,0,0,0|1,0,1]=4 3603 B13R1.36 CC(=C(C)c1ccc(cc1)CN)C 271570a_200000049429_100016989417 [0,2,0,0,0,0|1,0,1]=4 3604 B13R1.36 CC(=C(C)c1ccc(cc1)CO)C 271570a_200000049429_100000690907 [0,2,0,0,0,0|1,0,1]=4 3605 B13R1.36 CC(=O)N(C)c1ccc(cc1)C#N 11a_100000739737_100015343762 [0,2,0,0,0,0|1,0,1]=4 3606 B13R1.36 CC(=O)N(C)c1ccc(cc1)C#N 1626a_100000739737_100015343762 [0,2,0,0,0,0|1,0,1]=4 3607 B13R1.36 CC(=O)N(C)c1ccc(cc1)N[13CH3] 34a_100000229935_200025704644 [0,2,0,0,0,0|1,0,0]=3 3608 B13R1.36 CC(=O)N(C)c1ccc(cc1)O[13CH3] 34a_100000743460_200025704644 [0,2,0,0,0,0|1,0,0]=3 3609 B13R1.36 CC(=O)N(C)c1ccc(cc1)S[13CH3] 62a_200009816415_200025704644 [0,2,0,0,0,0|1,0,0]=3 3610 B13R1.36 CCc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100011215824 [0,2,0,0,0,0|1,0,1]=4 3611 B13R1.36 CNc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100000219623 [0,2,0,0,0,0|1,0,1]=4 3612 B13R1.36 CNc1ccc(cc1)N(C)C(=O)C 34a_100000229935_200000210301 [0,2,0,0,0,0|1,0,0]=3 3613 B13R1.36 COc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100000171711 [0,2,0,0,0,0|1,0,1]=4 3614 B13R1.36 COc1ccc(cc1)C(C)C(=O)C 1458a_100000753396_200000210301 [0,2,0,0,0,0|0,0,0]=2 3615 B13R1.36 COc1ccc(cc1)C(C)C(=O)[13CH3] 1458a_100000753396_200025704644 [0,2,0,0,0,0|0,0,0]=2 3616 B13R1.36 COc1ccc(cc1)C(C)N(C)C 2230a_100000736477_200000210301 [0,2,0,0,0,0|2,0,0]=4 3617 B13R1.36 COc1ccc(cc1)C(C)N(C)C 269982a_100000736477_200000210301 [0,2,0,0,0,0|2,0,0]=4 3618 B13R1.36 COc1ccc(cc1)C(C)N(C)[13CH3] 2230a_100000736477_200025704644 [0,2,0,0,0,0|2,0,0]=4 3619 B13R1.36 COc1ccc(cc1)C(C)N(C)[13CH3] 269982a_100000736477_200025704644 [0,2,0,0,0,0|2,0,0]=4 3620 B13R1.36 COc1ccc(cc1)C(O)C(=O)C 1458a_100011218652_200000210301 [0,2,0,0,0,0|1,0,0]=3 3621 B13R1.36 COc1ccc(cc1)C(O)C(=O)[13CH3] 1458a_100011218652_200025704644 [0,2,0,0,0,0|1,0,0]=3 3622 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 11a_100000220023_100015343762 [0,2,0,0,0,0|1,0,0]=3 3623 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 1626a_100000220023_100015343762 [0,2,0,0,0,0|1,0,0]=3 3624 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 22a_100000220023_100000070787 [0,2,0,0,0,0|1,0,0]=3 3625 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 34a_100000743460_200000210301 [0,2,0,0,0,0|1,0,0]=3 3626 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 527a_100000220023_100103153847 [0,2,0,0,0,0|1,0,0]=3 3627 B13R1.36 CSc1ccc(cc1)C(=C(C)C)C 271570a_200000049429_100011263217 [0,2,0,0,0,0|1,0,1]=4 3628 B13R1.36 CSc1ccc(cc1)C(=O)C(=O)N 62a_200009822167_200000210301 [0,2,0,0,0,0|1,0,1]=4 3629 B13R1.36 CSc1ccc(cc1)N(C)C(=O)C 62a_200009816415_200000210301 [0,2,0,0,0,0|1,0,0]=3 3630 B13R1.36 [13CH3]Sc1ccc(cc1)C(=O)C(=O)N 62a_200009822167_200025704644 [0,2,0,0,0,0|1,0,1]=4 3631 B13R1.39 CCC(NC)c1ccc(cc1)OC 2230a_100000195527_200000210301 [0,2,0,0,0,0|1,0,1]=4 3632 B13R1.39 CCC(NC)c1ccc(cc1)OC 269862a_106832991636_100000170455 [0,2,0,0,0,0|1,0,1]=4 3633 B13R1.39 CCC(NC)c1ccc(cc1)OC 34a_100000195527_200000210301 [0,2,0,0,0,0|1,0,1]=4 3634 B13R1.39 CCC(NC)c1ccc(cc1)SC 62a_100000231127_200000210301 [0,2,0,0,0,0|1,0,1]=4 3635 B13R1.39 CCC(NC)c1ccc(cc1)SC 62a_200000210301_100000231127 [0,2,0,0,0,0|1,0,1]=4 3636 B13R1.39 CCC(NC)c1ccc(cc1)S[13CH3] 62a_100000231127_200025704644 [0,2,0,0,0,0|1,0,1]=4 3637 B13R1.39 CCC(NC)c1ccc(cc1)S[13CH3] 62a_200025704644_100000231127 [0,2,0,0,0,0|1,0,1]=4 3638 B13R1.39 CCC(N[13CH3])c1ccc(cc1)OC 2230a_100000195527_200025704644 [0,2,0,0,0,0|1,0,1]=4 3639 B13R1.39 CCC(N[13CH3])c1ccc(cc1)OC 34a_100000195527_200025704644 [0,2,0,0,0,0|1,0,1]=4 3640 B13R1.39 CCC(OC)c1ccc(cc1)OC 34a_100000246523_200000210301 [0,2,0,0,0,0|1,0,1]=4 3641 B13R1.39 CCC(OC)c1ccc(cc1)OC 7a_100000246523_200000210301 [0,2,0,0,0,0|1,0,1]=4 3642 B13R1.39 CCC(O[13CH3])c1ccc(cc1)OC 34a_100000246523_200025704644 [0,2,0,0,0,0|1,0,1]=4 3643 B13R1.39 CCC(O[13CH3])c1ccc(cc1)OC 7a_100000246523_200025704644 [0,2,0,0,0,0|1,0,1]=4 3644 B13R1.39 CCc1ccc(cc1)C(CC)NC 269862a_106832991636_100000739966 [0,2,0,0,0,0|1,0,1]=4 3645 B13R1.39 CCc1ccc(cc1)[C@H](CC)NC 2230a_100020633697_200000210301 [0,2,0,0,0,0|1,0,1]=4 3646 B13R1.39 CCc1ccc(cc1)[C@H](CC)NC 34a_100020633697_200000210301 [0,2,0,0,0,0|1,0,1]=4 3647 B13R1.39 CCc1ccc(cc1)[C@H](CC)N[13CH3] 2230a_100020633697_200025704644 [0,2,0,0,0,0|1,0,1]=4 3648 B13R1.39 CCc1ccc(cc1)[C@H](CC)N[13CH3] 34a_100020633697_200025704644 [0,2,0,0,0,0|1,0,1]=4 3649 B13R1.39 CNC(CO)c1ccc(cc1)OC 2230a_100000751956_200000210301 [0,2,0,0,0,0|0,0,2]=4 3650 B13R1.39 CNC(CO)c1ccc(cc1)OC 34a_100000751956_200000210301 [0,2,0,0,0,0|0,0,2]=4 3651 B13R1.39 COC(OC)c1ccc(cc1)SC 62a_100009813454_200000210301 [0,2,0,0,0,0|2,0,0]=4 3652 B13R1.39 COC(OC)c1ccc(cc1)SC 62a_200000210301_100009813454 [0,2,0,0,0,0|2,0,0]=4 3653 B13R1.39 COC(OC)c1ccc(cc1)S[13CH3] 62a_100009813454_200025704644 [0,2,0,0,0,0|2,0,0]=4 3654 B13R1.39 COC(OC)c1ccc(cc1)S[13CH3] 62a_200025704644_100009813454 [0,2,0,0,0,0|2,0,0]=4 3655 B13R1.39 COc1ccc(cc1)C(C#N)OC 34a_100011218237_200000210301 [0,2,0,0,0,0|1,0,1]=4 3656 B13R1.39 COc1ccc(cc1)C(C#N)OC 7a_100011218237_200000210301 [0,2,0,0,0,0|1,0,1]=4 3657 B13R1.39 COc1ccc(cc1)C(C#N)O[13CH3] 34a_100011218237_200025704644 [0,2,0,0,0,0|1,0,1]=4 3658 B13R1.39 COc1ccc(cc1)C(C#N)O[13CH3] 7a_100011218237_200025704644 [0,2,0,0,0,0|1,0,1]=4 3659 B13R1.39 COc1ccc(cc1)C(CN)OC 34a_100000738651_200000210301 [0,2,0,0,0,0|1,0,1]=4 3660 B13R1.39 COc1ccc(cc1)C(CN)O[13CH3] 34a_100000738651_200025704644 [0,2,0,0,0,0|1,0,1]=4 3661 B13R1.39 COc1ccc(cc1)C(CO)N[13CH3] 2230a_100000751956_200025704644 [0,2,0,0,0,0|0,0,2]=4 3662 B13R1.39 COc1ccc(cc1)C(CO)N[13CH3] 34a_100000751956_200025704644 [0,2,0,0,0,0|0,0,2]=4 3663 B13R1.95 CNC(C)c1ccc(cc1Br)OC 269862a_106832991636_100000697255 [0,2,0,0,0,0|2,0,0]=4 3664 B13R1.95 CNC(C)c1ccc(cc1C)OC 269862a_106832991636_100000767045 [0,2,0,0,0,0|2,0,0]=4 3665 B13R1.95 CNC(C)c1ccc(cc1Cl)OC 269862a_106832991636_100011316561 [0,2,0,0,0,0|2,0,0]=4 3666 B13R1.95 CNC(C)c1ccc(cc1Cl)SC 269862a_106832991636_100000746310 [0,2,0,0,0,0|2,0,0]=4 3667 B13R1.95 CNC(C)c1ccc(cc1F)OC 269862a_106832991636_100000211433 [0,2,0,0,0,0|2,0,0]=4 3668 B13R1.95 CNC(C)c1ccc(cc1O)OC 269862a_106832991636_100000185565 [0,2,0,0,0,0|2,0,0]=4 3669 B13R1.95 CN[C@@H](C)c1ccc(cc1Cl)OC 2230a_100132314089_200000210301 [0,2,0,0,0,0|2,0,0]=4 3670 B13R1.95 CN[C@@H](C)c1ccc(cc1Cl)OC 34a_100132314089_200000210301 [0,2,0,0,0,0|2,0,0]=4 3671 B13R1.95 CN[C@H](C)c1ccc(cc1F)OC 2230a_100016991463_200000210301 [0,2,0,0,0,0|2,0,0]=4 3672 B13R1.95 CN[C@H](C)c1ccc(cc1F)OC 34a_100016991463_200000210301 [0,2,0,0,0,0|2,0,0]=4 3673 B13R1.95 COc1ccc(c(c1)Br)C(C)OC 34a_100000697252_200000210301 [0,2,0,0,0,0|2,0,0]=4 3674 B13R1.95 COc1ccc(c(c1)Br)C(C)OC 7a_100000697252_200000210301 [0,2,0,0,0,0|2,0,0]=4 3675 B13R1.95 COc1ccc(c(c1)Br)C(C)O[13CH3] 34a_100000697252_200025704644 [0,2,0,0,0,0|2,0,0]=4 3676 B13R1.95 COc1ccc(c(c1)Br)C(C)O[13CH3] 7a_100000697252_200025704644 [0,2,0,0,0,0|2,0,0]=4 3677 B13R1.95 COc1ccc(c(c1)Cl)[C@H](C)N[13CH3] 2230a_100132314089_200025704644 [0,2,0,0,0,0|2,0,0]=4 3678 B13R1.95 COc1ccc(c(c1)Cl)[C@H](C)N[13CH3] 34a_100132314089_200025704644 [0,2,0,0,0,0|2,0,0]=4 3679 B13R1.95 COc1ccc(c(c1)F)[C@@H](C)N[13CH3] 2230a_100016991463_200025704644 [0,2,0,0,0,0|2,0,0]=4 3680 B13R1.95 COc1ccc(c(c1)F)[C@@H](C)N[13CH3] 34a_100016991463_200025704644 [0,2,0,0,0,0|2,0,0]=4 3681 B13R1.139 CC(C#N)c1ccc(cc1)NCF 34a_100000069498_100015361967 [0,2,0,0,0,0|1,0,1]=4 3682 B13R1.139 CC(C#N)c1ccc(cc1)NCF 7a_100000069498_100015361967 [0,2,0,0,0,0|1,0,1]=4 3683 B13R1.139 CC(C#N)c1ccc(cc1)SCF 62a_100000695319_100015361967 [0,2,0,0,0,0|1,0,1]=4 3684 B13R1.139 CC(C#N)c1ccc(cc1)SCF 62a_100015361967_100000695319 [0,2,0,0,0,0|1,0,1]=4 3685 B13R1.139 CC(CN)c1ccc(cc1)OCF 34a_200015188644_100015361967 [0,2,0,0,0,0|1,0,1]=4 3686 B13R1.139 CC=Cc1ccc(cc1)C(=O)C=O 271570a_100016259895_100000725942 [0,2,0,0,0,0|1,0,1]=4 3687 B13R1.139 CC=Cc1ccc(cc1)C(C)C#N 271570a_100016259895_100000695319 [0,2,0,0,0,0|1,0,1]=4 3688 B13R1.139 CC=Cc1ccc(cc1)C(C)CC 271570a_100016259895_100011221364 [0,2,0,0,0,0|1,0,1]=4 3689 B13R1.139 CC=Cc1ccc(cc1)C(C)NC 271570a_100016259895_100000231103 [0,2,0,0,0,0|2,0,0]=4 3690 B13R1.139 CC=Cc1ccc(cc1)C(C)OC 271570a_100016259895_100010254937 [0,2,0,0,0,0|2,0,0]=4 3691 B13R1.139 CCC(C)c1ccc(cc1)CNC 26a_100102657272_100000211540 [0,2,0,0,0,0|1,0,1]=4 3692 B13R1.139 CCC(C)c1ccc(cc1)NCF 34a_100000211316_100015361967 [0,2,0,0,0,0|1,0,1]=4 3693 B13R1.139 CCC(C)c1ccc(cc1)NCF 7a_100000211316_100015361967 [0,2,0,0,0,0|1,0,1]=4 3694 B13R1.139 CCC(C)c1ccc(cc1)OCF 34a_100000211540_100015361967 [0,2,0,0,0,0|1,0,1]=4 3695 B13R1.139 CCC(C)c1ccc(cc1)OCF 7a_100000211540_100015361967 [0,2,0,0,0,0|1,0,1]=4 3696 B13R1.139 CCC(C)c1ccc(cc1)SCF 62a_100011221364_100015361967 [0,2,0,0,0,0|1,0,1]=4 3697 B13R1.139 CCC(C)c1ccc(cc1)SCF 62a_100015361967_100011221364 [0,2,0,0,0,0|1,0,1]=4 3698 B13R1.139 CCCc1ccc(cc1)C(C)NC 269862a_106832991636_100000211850 [0,2,0,0,0,0|2,0,0]=4 3699 B13R1.139 CCNc1ccc(cc1)C(C)C#N 34a_100000069498_100000210202 [0,2,0,0,0,0|1,0,1]=4 3700 B13R1.139 CCNc1ccc(cc1)C(C)C#N 7a_100000069498_100000210202 [0,2,0,0,0,0|1,0,1]=4 3701 B13R1.139 CCNc1ccc(cc1)C(C)CC 2230a_100000211316_100000210202 [0,2,0,0,0,0|1,0,1]=4 3702 B13R1.139 CCNc1ccc(cc1)C(C)CC 34a_100000211316_100000210202 [0,2,0,0,0,0|1,0,1]=4 3703 B13R1.139 CCNc1ccc(cc1)C(C)CC 7a_100000211316_100000210202 [0,2,0,0,0,0|1,0,1]=4 3704 B13R1.139 CCOc1ccc(cc1)C(C)CC 34a_100000211540_100000210202 [0,2,0,0,0,0|1,0,1]=4 3705 B13R1.139 CCOc1ccc(cc1)C(C)CC 7a_100000211540_100000210202 [0,2,0,0,0,0|1,0,1]=4 3706 B13R1.139 CCOc1ccc(cc1)C(C)CN 34a_200015188644_100000210202 [0,2,0,0,0,0|1,0,1]=4 3707 B13R1.139 CCOc1ccc(cc1)C(C)NC 2230a_100000740525_200000210301 [0,2,0,0,0,0|2,0,0]=4 3708 B13R1.139 CCOc1ccc(cc1)C(C)NC 269862a_106832991636_100000169860 [0,2,0,0,0,0|2,0,0]=4 3709 B13R1.139 CCOc1ccc(cc1)C(C)N[13CH3] 2230a_100000740525_200025704644 [0,2,0,0,0,0|2,0,0]=4 3710 B13R1.139 CCOc1ccc(cc1)C(C)OC 34a_200010658654_100000210202 [0,2,0,0,0,0|2,0,0]=4 3711 B13R1.139 CCOc1ccc(cc1)C(C)OC 7a_200010658654_100000210202 [0,2,0,0,0,0|2,0,0]=4 3712 B13R1.139 CCOc1ccc(cc1)[C@@H](C)OC 34a_100000761365_200000210301 [0,2,0,0,0,0|2,0,0]=4 3713 B13R1.139 CCOc1ccc(cc1)[C@@H](C)OC 7a_100000761365_200000210301 [0,2,0,0,0,0|2,0,0]=4 3714 B13R1.139 CCOc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000761365_200025704644 [0,2,0,0,0,0|2,0,0]=4 3715 B13R1.139 CCOc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000761365_200025704644 [0,2,0,0,0,0|2,0,0]=4 3716 B13R1.139 CCSc1ccc(cc1)C(=O)C=O 62a_100000210202_100000725942 [0,2,0,0,0,0|1,0,1]=4 3717 B13R1.139 CCSc1ccc(cc1)C(=O)C=O 62a_100000725942_100000210202 [0,2,0,0,0,0|1,0,1]=4 3718 B13R1.139 CCSc1ccc(cc1)C(C)C#N 62a_100000210202_100000695319 [0,2,0,0,0,0|1,0,1]=4 3719 B13R1.139 CCSc1ccc(cc1)C(C)C#N 62a_100000695319_100000210202 [0,2,0,0,0,0|1,0,1]=4 3720 B13R1.139 CCSc1ccc(cc1)C(C)CC 62a_100000210202_100011221364 [0,2,0,0,0,0|1,0,1]=4 3721 B13R1.139 CCSc1ccc(cc1)C(C)CC 62a_100011221364_100000210202 [0,2,0,0,0,0|1,0,1]=4 3722 B13R1.139 CCSc1ccc(cc1)C(C)NC 269862a_106832991636_100000693305 [0,2,0,0,0,0|2,0,0]=4 3723 B13R1.139 CCSc1ccc(cc1)C(C)NC 62a_100000210202_100000231103 [0,2,0,0,0,0|2,0,0]=4 3724 B13R1.139 CCSc1ccc(cc1)C(C)NC 62a_100000231103_100000210202 [0,2,0,0,0,0|2,0,0]=4 3725 B13R1.139 CCSc1ccc(cc1)C(C)OC 62a_100000210202_100010254937 [0,2,0,0,0,0|2,0,0]=4 3726 B13R1.139 CCSc1ccc(cc1)C(C)OC 62a_100010254937_100000210202 [0,2,0,0,0,0|2,0,0]=4 3727 B13R1.139 CNC(C)c1ccc(cc1)SCF 62a_100000231103_100015361967 [0,2,0,0,0,0|2,0,0]=4 3728 B13R1.139 CNC(C)c1ccc(cc1)SCF 62a_100015361967_100000231103 [0,2,0,0,0,0|2,0,0]=4 3729 B13R1.139 CNCc1ccc(cc1)C(C)CN 26a_100102657272_200015188644 [0,2,0,0,0,0|1,0,1]=4 3730 B13R1.139 CNCc1ccc(cc1)C(C)OC 26a_100102657272_200010658654 [0,2,0,0,0,0|2,0,0]=4 3731 B13R1.139 COC(C)c1ccc(cc1)OCF 34a_200010658654_100015361967 [0,2,0,0,0,0|2,0,0]=4 3732 B13R1.139 COC(C)c1ccc(cc1)OCF 7a_200010658654_100015361967 [0,2,0,0,0,0|2,0,0]=4 3733 B13R1.139 COC(C)c1ccc(cc1)SCF 62a_100010254937_100015361967 [0,2,0,0,0,0|2,0,0]=4 3734 B13R1.139 COC(C)c1ccc(cc1)SCF 62a_100015361967_100010254937 [0,2,0,0,0,0|2,0,0]=4 3735 B13R1.139 O=CC(=O)c1ccc(cc1)SCF 62a_100000725942_100015361967 [0,2,0,0,0,0|1,0,1]=4 3736 B13R1.139 O=CC(=O)c1ccc(cc1)SCF 62a_100015361967_100000725942 [0,2,0,0,0,0|1,0,1]=4 3737 B13R1.187 C=Cc1ccc(cc1)C(C)(C)C=O 271570a_100011290941_100010228009 [0,2,0,0,0,0|0,0,1]=3 3738 B13R1.187 CC(C)(C#N)c1ccc(cc1)N[13CH3] 34a_100000758047_200025704644 [0,2,0,0,0,0|1,0,1]=4 3739 B13R1.187 CC(C)(C#N)c1ccc(cc1)N[13CH3] 7a_100000758047_200025704644 [0,2,0,0,0,0|1,0,1]=4 3740 B13R1.187 CC(C)(C#N)c1ccc(cc1)O[13CH3] 34a_200000101937_200025704644 [0,2,0,0,0,0|1,0,1]=4 3741 B13R1.187 CC(C)(C#N)c1ccc(cc1)O[13CH3] 7a_200000101937_200025704644 [0,2,0,0,0,0|1,0,1]=4 3742 B13R1.187 CC(C)(C#N)c1ccc(cc1)S[13CH3] 62a_100000740055_200025704644 [0,2,0,0,0,0|1,0,1]=4 3743 B13R1.187 CC(C)(C#N)c1ccc(cc1)S[13CH3] 62a_200025704644_100000740055 [0,2,0,0,0,0|1,0,1]=4 3744 B13R1.187 CC(C)(C=O)c1ccc(cc1)S[13CH3] 62a_100010228009_200025704644 [0,2,0,0,0,0|0,0,0]=2 3745 B13R1.187 CC(C)(C=O)c1ccc(cc1)S[13CH3] 62a_200025704644_100010228009 [0,2,0,0,0,0|0,0,0]=2 3746 B13R1.187 CC(C)(CO)c1ccc(cc1)N[13CH3] 34a_103496529068_200025704644 [0,2,0,0,0,0|0,0,2]=4 3747 B13R1.187 CCC(C)(C)c1ccc(cc1)OC 7a_100000211029_200000210301 [0,2,0,0,0,0|1,0,1]=4 3748 B13R1.187 CCC(C)(C)c1ccc(cc1)O[13CH3] 7a_100000211029_200025704644 [0,2,0,0,0,0|1,0,1]=4 3749 B13R1.187 CNC(C)(C)c1ccc(cc1)OC 2230a_200015186604_200000210301 [0,2,0,0,0,0|2,0,0]=4 3750 B13R1.187 CNc1ccc(cc1)C(C)(C)C#N 34a_100000758047_200000210301 [0,2,0,0,0,0|1,0,1]=4 3751 B13R1.187 CNc1ccc(cc1)C(C)(C)C#N 7a_100000758047_200000210301 [0,2,0,0,0,0|1,0,1]=4 3752 B13R1.187 CNc1ccc(cc1)C(C)(C)CO 34a_103496529068_200000210301 [0,2,0,0,0,0|0,0,2]=4 3753 B13R1.187 COc1ccc(cc1)C(C)(C)C#N 34a_200000101937_200000210301 [0,2,0,0,0,0|1,0,1]=4 3754 B13R1.187 COc1ccc(cc1)C(C)(C)C#N 7a_200000101937_200000210301 [0,2,0,0,0,0|1,0,1]=4 3755 B13R1.187 COc1ccc(cc1)C(C)(C)N[13CH3] 2230a_200015186604_200025704644 [0,2,0,0,0,0|2,0,0]=4 3756 B13R1.187 COc1ccc(cc1)C(C)(C)OC 34a_100000744786_200000210301 [0,2,0,0,0,0|2,0,0]=4 3757 B13R1.187 COc1ccc(cc1)C(C)(C)OC 7a_100000744786_200000210301 [0,2,0,0,0,0|2,0,0]=4 3758 B13R1.187 COc1ccc(cc1)C(C)(C)O[13CH3] 34a_100000744786_200025704644 [0,2,0,0,0,0|2,0,0]=4 3759 B13R1.187 COc1ccc(cc1)C(C)(C)O[13CH3] 7a_100000744786_200025704644 [0,2,0,0,0,0|2,0,0]=4 3760 B13R1.187 CSc1ccc(cc1)C(C)(C)C#N 62a_100000740055_200000210301 [0,2,0,0,0,0|1,0,1]=4 3761 B13R1.187 CSc1ccc(cc1)C(C)(C)C#N 62a_200000210301_100000740055 [0,2,0,0,0,0|1,0,1]=4 3762 B13R1.187 CSc1ccc(cc1)C(C)(C)C=O 62a_100010228009_200000210301 [0,2,0,0,0,0|0,0,0]=2 3763 B13R1.187 CSc1ccc(cc1)C(C)(C)C=O 62a_200000210301_100010228009 [0,2,0,0,0,0|0,0,0]=2 3764 B13R1.452 C=CCC(O)c1ccc(cc1)SC 62a_100011466436_200000210301 [0,2,0,0,0,0|2,0,0]=4 3765 B13R1.452 C=CCC(O)c1ccc(cc1)SC 62a_200000210301_100011466436 [0,2,0,0,0,0|2,0,0]=4 3766 B13R1.452 C=CCC(O)c1ccc(cc1)S[13CH3] 62a_100011466436_200025704644 [0,2,0,0,0,0|2,0,0]=4 3767 B13R1.452 C=CCC(O)c1ccc(cc1)S[13CH3] 62a_200025704644_100011466436 [0,2,0,0,0,0|2,0,0]=4 3768 B13R1.452 C=CCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210623 [0,2,0,0,0,0|2,0,0]=4 3769 B13R1.452 C=CCN(C)c1ccc(cc1)OC 269982a_100000220023_100000210623 [0,2,0,0,0,0|2,0,0]=4 3770 B13R1.452 C=CCN(C)c1ccc(cc1)OC 34a_100000220023_100015514636 [0,2,0,0,0,0|2,0,0]=4 3771 B13R1.452 CC(OCF)c1ccc(cc1)CN 34a_200000048501_100015361967 [0,2,0,0,0,0|1,0,1]=4 3772 B13R1.452 CCNC(C)c1ccc(cc1)CC 2230a_100015186439_100000210202 [0,2,0,0,0,0|1,0,1]=4 3773 B13R1.452 CCNC(C)c1ccc(cc1)CC 269862a_100015525214_100000211630 [0,2,0,0,0,0|1,0,1]=4 3774 B13R1.452 CCNC(C)c1ccc(cc1)CC 34a_100015186439_100000210202 [0,2,0,0,0,0|1,0,1]=4 3775 B13R1.452 CCNC(C)c1ccc(cc1)CO 269862a_100015525214_100000082505 [0,2,0,0,0,0|1,0,1]=4 3776 B13R1.452 CCNC(C)c1ccc(cc1)NC 269862a_100015525214_100011806243 [0,2,0,0,0,0|1,0,1]=4 3777 B13R1.452 CCNC(C)c1ccc(cc1)OC 269862a_100015525214_100000169859 [0,2,0,0,0,0|1,0,1]=4 3778 B13R1.452 CCNC(C)c1ccc(cc1)SC 2230a_100000738722_100000210202 [0,2,0,0,0,0|1,0,1]=4 3779 B13R1.452 CCNC(C)c1ccc(cc1)SC 269862a_100015525214_100000185071 [0,2,0,0,0,0|1,0,1]=4 3780 B13R1.452 CCN[C@H](C)c1ccc(cc1)OC 2230a_100011830352_100000210202 [0,2,0,0,0,0|1,0,1]=4 3781 B13R1.452 CCOC(C)c1ccc(cc1)CC 34a_100011232672_100000210202 [0,2,0,0,0,0|1,0,1]=4 3782 B13R1.452 CCOC(C)c1ccc(cc1)CC 7a_100011232672_100000210202 [0,2,0,0,0,0|1,0,1]=4 3783 B13R1.452 CCOC(C)c1ccc(cc1)CN 34a_200000048501_100000210202 [0,2,0,0,0,0|1,0,1]=4 3784 B13R1.452 CCOC(C)c1ccc(cc1)OC 34a_100000742907_100000210202 [0,2,0,0,0,0|1,0,1]=4 3785 B13R1.452 CCOC(C)c1ccc(cc1)OC 7a_100000742907_100000210202 [0,2,0,0,0,0|1,0,1]=4 3786 B13R1.452 CCc1ccc(cc1)C(C)NCF 34a_100015186439_100015361967 [0,2,0,0,0,0|1,0,1]=4 3787 B13R1.452 CCc1ccc(cc1)C(C)OCF 34a_100011232672_100015361967 [0,2,0,0,0,0|1,0,1]=4 3788 B13R1.452 CCc1ccc(cc1)C(C)OCF 7a_100011232672_100015361967 [0,2,0,0,0,0|1,0,1]=4 3789 B13R1.452 CN(CC=O)c1ccc(cc1)C#N 269982a_100000739737_200015260668 [0,2,0,0,0,0|1,0,1]=4 3790 B13R1.452 CN(CC=O)c1ccc(cc1)C#N 34a_100000739737_200009817547 [0,2,0,0,0,0|1,0,1]=4 3791 B13R1.452 COc1ccc(cc1)C(C)OCF 34a_100000742907_100015361967 [0,2,0,0,0,0|1,0,1]=4 3792 B13R1.452 COc1ccc(cc1)C(C)OCF 7a_100000742907_100015361967 [0,2,0,0,0,0|1,0,1]=4 3793 B13R1.452 COc1ccc(cc1)N(C)CC=O 2230a_100000220023_200015260668 [0,2,0,0,0,0|1,0,0]=3 3794 B13R1.452 COc1ccc(cc1)N(C)CC=O 269982a_100000220023_200015260668 [0,2,0,0,0,0|1,0,0]=3 3795 B13R1.452 COc1ccc(cc1)N(C)CC=O 34a_100000220023_200009817547 [0,2,0,0,0,0|1,0,0]=3 3796 B13R1.452 CSc1ccc(cc1)/C(=C\C=O)/Cl 62a_200000210301_200020603514 [0,2,0,0,0,0|1,0,1]=4 3797 B13R1.452 CSc1ccc(cc1)/C(=C\C=O)/Cl 62a_200020603514_200000210301 [0,2,0,0,0,0|1,0,1]=4 3798 B13R1.452 [13CH3]Sc1ccc(cc1)/C(=C\C=O)/Cl 62a_200020603514_200025704644 [0,2,0,0,0,0|1,0,1]=4 3799 B13R1.452 [13CH3]Sc1ccc(cc1)/C(=C\C=O)/Cl 62a_200025704644_200020603514 [0,2,0,0,0,0|1,0,1]=4 3800 B13R1.537 C=C(C)c1ccc(cc1)C(=O)C=O 271570a_100000694244_100000725942 [0,2,0,0,0,0|1,0,1]=4 3801 B13R1.537 C=C(C)c1ccc(cc1)C(C)C#N 271570a_100000694244_100000695319 [0,2,0,0,0,0|1,0,1]=4 3802 B13R1.537 C=C(C)c1ccc(cc1)C(C)CC 271570a_100000694244_100011221364 [0,2,0,0,0,0|1,0,1]=4 3803 B13R1.537 C=C(C)c1ccc(cc1)C(C)NC 271570a_100000694244_100000231103 [0,2,0,0,0,0|2,0,0]=4 3804 B13R1.537 C=C(C)c1ccc(cc1)C(C)OC 271570a_100000694244_100010254937 [0,2,0,0,0,0|2,0,0]=4 3805 B13R1.537 CC(C)c1ccc(cc1)C(C)N[13CH3] 2230a_100000181356_200025704644 [0,2,0,0,0,0|2,0,0]=4 3806 B13R1.537 CC(C)c1ccc(cc1)C(C)N[13CH3] 34a_100000181356_200025704644 [0,2,0,0,0,0|2,0,0]=4 3807 B13R1.537 CC(C)c1ccc(cc1)C(C)S[13CH3] 62a_200000700246_200025704644 [0,2,0,0,0,0|2,0,0]=4 3808 B13R1.537 CC(C)c1ccc(cc1)C(C)S[13CH3] 62a_200025704644_200000700246 [0,2,0,0,0,0|2,0,0]=4 3809 B13R1.537 CNC(C)c1ccc(cc1)C(C)C 2230a_100000181356_200000210301 [0,2,0,0,0,0|2,0,0]=4 3810 B13R1.537 CNC(C)c1ccc(cc1)C(C)C 2230a_106832991635_200000700246 [0,2,0,0,0,0|2,0,0]=4 3811 B13R1.537 CNC(C)c1ccc(cc1)C(C)C 269862a_106832991636_100000184595 [0,2,0,0,0,0|2,0,0]=4 3812 B13R1.537 CNC(C)c1ccc(cc1)C(C)C 34a_100000181356_200000210301 [0,2,0,0,0,0|2,0,0]=4 3813 B13R1.537 CNC(C)c1ccc(cc1)C(C)C 7a_106832991635_200000700246 [0,2,0,0,0,0|2,0,0]=4 3814 B13R1.537 CNC(C)c1ccc(cc1)C(F)F 269862a_106832991636_100000100969 [0,2,0,0,0,0|2,0,0]=4 3815 B13R1.537 CSC(C)c1ccc(cc1)C(C)C 62a_200000210301_200000700246 [0,2,0,0,0,0|2,0,0]=4 3816 B13R1.537 CSC(C)c1ccc(cc1)C(C)C 62a_200000700246_200000210301 [0,2,0,0,0,0|2,0,0]=4 3817 B13R1.3088 CNC(C)c1ccc(c(c1)Br)OC 269862a_106832991636_100000185153 [0,2,0,0,0,0|2,0,0]=4 3818 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 2230a_100015183133_200000210301 [0,2,0,0,0,0|2,0,0]=4 3819 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 269862a_106832991636_100000693588 [0,2,0,0,0,0|2,0,0]=4 3820 B13R1.3088 CNC(C)c1ccc(c(c1)C)OC 34a_100015183133_200000210301 [0,2,0,0,0,0|2,0,0]=4 3821 B13R1.3088 CNC(C)c1ccc(c(c1)Cl)OC 269862a_106832991636_100000742349 [0,2,0,0,0,0|2,0,0]=4 3822 B13R1.3088 CNC(C)c1ccc(c(c1)F)OC 2230a_100000204609_200000210301 [0,2,0,0,0,0|2,0,0]=4 3823 B13R1.3088 CNC(C)c1ccc(c(c1)F)OC 269862a_106832991636_100000195443 [0,2,0,0,0,0|2,0,0]=4 3824 B13R1.3088 CNC(C)c1ccc(c(c1)F)OC 34a_100000204609_200000210301 [0,2,0,0,0,0|2,0,0]=4 3825 B13R1.3088 CNC(C)c1ccc(c(c1)I)OC 269862a_106832991636_100000039561 [0,2,0,0,0,0|2,0,0]=4 3826 B13R1.3088 CNC(C)c1ccc(c(c1)O)OC 269862a_106832991636_100000732934 [0,2,0,0,0,0|2,0,0]=4 3827 B13R1.3088 COc1ccc(cc1Br)C(C)OC 34a_100000246541_200000210301 [0,2,0,0,0,0|2,0,0]=4 3828 B13R1.3088 COc1ccc(cc1Br)C(C)OC 7a_100000246541_200000210301 [0,2,0,0,0,0|2,0,0]=4 3829 B13R1.3088 COc1ccc(cc1Br)C(C)O[13CH3] 34a_100000246541_200025704644 [0,2,0,0,0,0|2,0,0]=4 3830 B13R1.3088 COc1ccc(cc1Br)C(C)O[13CH3] 7a_100000246541_200025704644 [0,2,0,0,0,0|2,0,0]=4 3831 B13R1.3088 COc1ccc(cc1C)C(C)N[13CH3] 2230a_100015183133_200025704644 [0,2,0,0,0,0|2,0,0]=4 3832 B13R1.3088 COc1ccc(cc1C)C(C)N[13CH3] 34a_100015183133_200025704644 [0,2,0,0,0,0|2,0,0]=4 3833 B13R1.3088 COc1ccc(cc1F)C(C)N[13CH3] 2230a_100000204609_200025704644 [0,2,0,0,0,0|2,0,0]=4 3834 B13R1.3088 COc1ccc(cc1F)C(C)N[13CH3] 34a_100000204609_200025704644 [0,2,0,0,0,0|2,0,0]=4 3835 B13R1.3088 COc1ccc(cc1F)C(C)OC 34a_100000242639_200000210301 [0,2,0,0,0,0|2,0,0]=4 3836 B13R1.3088 COc1ccc(cc1F)C(C)OC 7a_100000242639_200000210301 [0,2,0,0,0,0|2,0,0]=4 3837 B13R1.3088 COc1ccc(cc1F)C(C)O[13CH3] 34a_100000242639_200025704644 [0,2,0,0,0,0|2,0,0]=4 3838 B13R1.3088 COc1ccc(cc1F)C(C)O[13CH3] 7a_100000242639_200025704644 [0,2,0,0,0,0|2,0,0]=4 3839 B13R1.3088 COc1ccc(cc1I)C(C)OC 34a_202516928852_200000210301 [0,2,0,0,0,0|2,0,0]=4 3840 B13R1.3088 COc1ccc(cc1I)C(C)OC 7a_202516928852_200000210301 [0,2,0,0,0,0|2,0,0]=4 3841 B13R1.3088 COc1ccc(cc1I)C(C)O[13CH3] 34a_202516928852_200025704644 [0,2,0,0,0,0|2,0,0]=4 3842 B13R1.3088 COc1ccc(cc1I)C(C)O[13CH3] 7a_202516928852_200025704644 [0,2,0,0,0,0|2,0,0]=4 3843 B13R1.29 CCNC(C)(C)c1ccc(cc1)C 2230a_200011345931_100000210202 [0,2,0,0,0,0|1,0,1]=4 3844 B13R1.29 CCNC(C)(C)c1ccc(cc1)C 34a_200011345931_100000210202 [0,2,0,0,0,0|1,0,1]=4 3845 B13R1.29 CCOC(C)(C)c1ccc(cc1)C 34a_200011345916_100000210202 [0,2,0,0,0,0|1,0,1]=4 3846 B13R1.29 CCOC(C)(C)c1ccc(cc1)C 7a_200011345916_100000210202 [0,2,0,0,0,0|1,0,1]=4 3847 B13R1.29 Cc1ccc(cc1)C(C)(C)NCF 34a_200011345931_100015361967 [0,2,0,0,0,0|1,0,1]=4 3848 B13R1.29 Cc1ccc(cc1)C(C)(C)OCF 34a_200011345916_100015361967 [0,2,0,0,0,0|1,0,1]=4 3849 B13R1.29 Cc1ccc(cc1)C(C)(C)OCF 7a_200011345916_100015361967 [0,2,0,0,0,0|1,0,1]=4 3850 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)Br 1458a_100000740082_200000210301 [0,2,0,0,0,0|1,0,0]=3 3851 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)C 1458a_100000751694_200000210301 [0,2,0,0,0,0|0,0,0]=2 3852 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)Cl 1458a_100000742901_200000210301 [0,2,0,0,0,0|1,0,0]=3 3853 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)F 1458a_100000751650_200000210301 [0,2,0,0,0,0|1,0,0]=3 3854 B13R1.522 CC(=O)C(C)(C)c1ccc(cc1)O 1458a_100000721645_200000210301 [0,2,0,0,0,0|1,0,0]=3 3855 B13R1.522 CC(=O)C(C)(O)c1ccc(cc1)C 1458a_100011434902_200000210301 [0,2,0,0,0,0|0,0,0]=2 3856 B13R1.522 CC(=O)C(C)(O)c1ccc(cc1)Cl 1458a_100000695402_200000210301 [0,2,0,0,0,0|1,0,0]=3 3857 B13R1.522 CC(C)(C(=O)[13CH3])c1ccc(cc1)Br 1458a_100000740082_200025704644 [0,2,0,0,0,0|1,0,0]=3 3858 B13R1.522 CC(C)(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100000742901_200025704644 [0,2,0,0,0,0|1,0,0]=3 3859 B13R1.522 CC(C)(C(=O)[13CH3])c1ccc(cc1)F 1458a_100000751650_200025704644 [0,2,0,0,0,0|1,0,0]=3 3860 B13R1.522 CC(C)(C(=O)[13CH3])c1ccc(cc1)O 1458a_100000721645_200025704644 [0,2,0,0,0,0|1,0,0]=3 3861 B13R1.522 CC(O)(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100000695402_200025704644 [0,2,0,0,0,0|1,0,0]=3 3862 B13R1.522 Cc1ccc(cc1)C(C)(C)C(=O)[13CH3] 1458a_100000751694_200025704644 [0,2,0,0,0,0|0,0,0]=2 3863 B13R1.522 Cc1ccc(cc1)C(C)(O)C(=O)[13CH3] 1458a_100011434902_200025704644 [0,2,0,0,0,0|0,0,0]=2 3864 B13R1.1 C=CCC(OC)c1ccc(cc1)Br 34a_100011466436_200000210301 [0,2,0,0,0,0|2,0,0]=4 3865 B13R1.1 C=CCC(OC)c1ccc(cc1)Br 7a_100011466436_200000210301 [0,2,0,0,0,0|2,0,0]=4 3866 B13R1.1 C=CCC(OC)c1ccc(cc1)Cl 34a_200011466439_200000210301 [0,2,0,0,0,0|2,0,0]=4 3867 B13R1.1 C=CCC(OC)c1ccc(cc1)Cl 7a_200011466439_200000210301 [0,2,0,0,0,0|2,0,0]=4 3868 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Br 34a_100011466436_200025704644 [0,2,0,0,0,0|2,0,0]=4 3869 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Br 7a_100011466436_200025704644 [0,2,0,0,0,0|2,0,0]=4 3870 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Cl 34a_200011466439_200025704644 [0,2,0,0,0,0|2,0,0]=4 3871 B13R1.1 C=CCC(O[13CH3])c1ccc(cc1)Cl 7a_200011466439_200025704644 [0,2,0,0,0,0|2,0,0]=4 3872 B13R1.1 C=CCN(CC)c1ccc(cc1)C 2230a_100000219985_100000210623 [0,2,0,0,0,0|2,0,0]=4 3873 B13R1.1 C=CCN(CC)c1ccc(cc1)C 269982a_100000219985_100000210623 [0,2,0,0,0,0|2,0,0]=4 3874 B13R1.1 C=CCN(CC)c1ccc(cc1)C 34a_100000219985_100015514636 [0,2,0,0,0,0|2,0,0]=4 3875 B13R1.1 CCC(NCF)c1ccc(cc1)C 34a_100000749201_100015361967 [0,2,0,0,0,0|1,0,1]=4 3876 B13R1.1 CCC(OCF)c1ccc(cc1)C 34a_100000246521_100015361967 [0,2,0,0,0,0|1,0,1]=4 3877 B13R1.1 CCC(OCF)c1ccc(cc1)C 7a_100000246521_100015361967 [0,2,0,0,0,0|1,0,1]=4 3878 B13R1.1 CCCC(NC)c1ccc(cc1)C 269862a_106832991636_200011216210 [0,2,0,0,0,0|1,0,1]=4 3879 B13R1.1 CCC[C@@H](NC)c1ccc(cc1)C 2230a_200020633650_200000210301 [0,2,0,0,0,0|1,0,1]=4 3880 B13R1.1 CCC[C@@H](NC)c1ccc(cc1)C 34a_200020633650_200000210301 [0,2,0,0,0,0|1,0,1]=4 3881 B13R1.1 CCC[C@@H](N[13CH3])c1ccc(cc1)C 2230a_200020633650_200025704644 [0,2,0,0,0,0|1,0,1]=4 3882 B13R1.1 CCC[C@@H](N[13CH3])c1ccc(cc1)C 34a_200020633650_200025704644 [0,2,0,0,0,0|1,0,1]=4 3883 B13R1.1 CCN(CC=O)c1ccc(cc1)Br 2230a_100000219632_200015260668 [0,2,0,0,0,0|2,0,0]=4 3884 B13R1.1 CCN(CC=O)c1ccc(cc1)Br 269982a_100000219632_200015260668 [0,2,0,0,0,0|2,0,0]=4 3885 B13R1.1 CCN(CC=O)c1ccc(cc1)Br 34a_100000219632_200009817547 [0,2,0,0,0,0|2,0,0]=4 3886 B13R1.1 CCN(CC=O)c1ccc(cc1)C 2230a_100000219985_200015260668 [0,2,0,0,0,0|1,0,0]=3 3887 B13R1.1 CCN(CC=O)c1ccc(cc1)C 269982a_100000219985_200015260668 [0,2,0,0,0,0|1,0,0]=3 3888 B13R1.1 CCN(CC=O)c1ccc(cc1)C 34a_100000219985_200009817547 [0,2,0,0,0,0|1,0,0]=3 3889 B13R1.1 CCN(CC=O)c1ccc(cc1)Cl 2230a_100000220165_200015260668 [0,2,0,0,0,0|2,0,0]=4 3890 B13R1.1 CCN(CC=O)c1ccc(cc1)Cl 269982a_100000220165_200015260668 [0,2,0,0,0,0|2,0,0]=4 3891 B13R1.1 CCN(CC=O)c1ccc(cc1)Cl 34a_100000220165_200009817547 [0,2,0,0,0,0|2,0,0]=4 3892 B13R1.1 CCN(CC=O)c1ccc(cc1)F 2230a_100102640331_200015260668 [0,2,0,0,0,0|2,0,0]=4 3893 B13R1.1 CCN(CC=O)c1ccc(cc1)F 269982a_100102640331_200015260668 [0,2,0,0,0,0|2,0,0]=4 3894 B13R1.1 CCN(CC=O)c1ccc(cc1)F 34a_100102640331_200009817547 [0,2,0,0,0,0|2,0,0]=4 3895 B13R1.1 CCN(CC=O)c1ccc(cc1)O 2230a_100011337800_200015260668 [0,2,0,0,0,0|2,0,0]=4 3896 B13R1.1 CCN(CC=O)c1ccc(cc1)O 269982a_100011337800_200015260668 [0,2,0,0,0,0|2,0,0]=4 3897 B13R1.1 CCN(CC=O)c1ccc(cc1)O 34a_100011337800_200009817547 [0,2,0,0,0,0|2,0,0]=4 3898 B13R1.1 CCNC(CC)c1ccc(cc1)C 2230a_100000749201_100000210202 [0,2,0,0,0,0|1,0,1]=4 3899 B13R1.1 CCNC(CC)c1ccc(cc1)C 269862a_100015525214_100000185863 [0,2,0,0,0,0|1,0,1]=4 3900 B13R1.1 CCNC(CC)c1ccc(cc1)C 34a_100000749201_100000210202 [0,2,0,0,0,0|1,0,1]=4 3901 B13R1.1 CCN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_100000210202 [0,2,0,0,0,0|0,0,2]=4 3902 B13R1.1 CCN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_100000210202 [0,2,0,0,0,0|0,0,2]=4 3903 B13R1.1 CCOC(CC)c1ccc(cc1)C 34a_100000246521_100000210202 [0,2,0,0,0,0|1,0,1]=4 3904 B13R1.1 CCOC(CC)c1ccc(cc1)C 7a_100000246521_100000210202 [0,2,0,0,0,0|1,0,1]=4 3905 B13R1.1 CCO[C@@H](C#N)c1ccc(cc1)C 34a_200009814964_100000210202 [0,2,0,0,0,0|1,0,1]=4 3906 B13R1.1 CCO[C@@H](C#N)c1ccc(cc1)C 7a_200009814964_100000210202 [0,2,0,0,0,0|1,0,1]=4 3907 B13R1.1 CNC(CCO)c1ccc(cc1)C 2230a_100011661551_200000210301 [0,2,0,0,0,0|0,0,2]=4 3908 B13R1.1 CNC(CCO)c1ccc(cc1)C 34a_100011661551_200000210301 [0,2,0,0,0,0|0,0,2]=4 3909 B13R1.1 Cc1ccc(cc1)C(CCO)N[13CH3] 2230a_100011661551_200025704644 [0,2,0,0,0,0|0,0,2]=4 3910 B13R1.1 Cc1ccc(cc1)C(CCO)N[13CH3] 34a_100011661551_200025704644 [0,2,0,0,0,0|0,0,2]=4 3911 B13R1.1 Cc1ccc(cc1)[C@H](C#N)OCF 34a_200009814964_100015361967 [0,2,0,0,0,0|1,0,1]=4 3912 B13R1.1 Cc1ccc(cc1)[C@H](C#N)OCF 7a_200009814964_100015361967 [0,2,0,0,0,0|1,0,1]=4 3913 B13R1.1 Cc1ccc(cc1)[C@H](CO)NCF 34a_100009818840_100015361967 [0,2,0,0,0,0|0,0,2]=4 3914 B13R1.331 CCC(NC)c1ccc(c(c1)C)C 2230a_200011220179_200000210301 [0,2,0,0,0,0|1,0,1]=4 3915 B13R1.331 CCC(NC)c1ccc(c(c1)C)C 269862a_106832991636_100011220458 [0,2,0,0,0,0|1,0,1]=4 3916 B13R1.331 CCC(NC)c1ccc(c(c1)C)C 34a_200011220179_200000210301 [0,2,0,0,0,0|1,0,1]=4 3917 B13R1.331 CCC(N[13CH3])c1ccc(c(c1)C)C 2230a_200011220179_200025704644 [0,2,0,0,0,0|1,0,1]=4 3918 B13R1.331 CCC(N[13CH3])c1ccc(c(c1)C)C 34a_200011220179_200025704644 [0,2,0,0,0,0|1,0,1]=4 3919 B13R1.706 CCC(C(=O)C)c1ccc(cc1)Br 1458a_100011934198_200000210301 [0,2,0,0,0,0|1,0,0]=3 3920 B13R1.706 CCC(C(=O)[13CH3])c1ccc(cc1)Br 1458a_100011934198_200025704644 [0,2,0,0,0,0|1,0,0]=3 3921 B13R1.706 CCN(C(=O)C)c1ccc(cc1)Br 11a_100000219632_100015343762 [0,2,0,0,0,0|2,0,0]=4 3922 B13R1.706 CCN(C(=O)C)c1ccc(cc1)Br 1626a_100000219632_100015343762 [0,2,0,0,0,0|2,0,0]=4 3923 B13R1.706 CCN(C(=O)C)c1ccc(cc1)Br 22a_100000219632_100000070787 [0,2,0,0,0,0|2,0,0]=4 3924 B13R1.706 CCN(C(=O)C)c1ccc(cc1)C 11a_100000219985_100015343762 [0,2,0,0,0,0|1,0,0]=3 3925 B13R1.706 CCN(C(=O)C)c1ccc(cc1)C 1626a_100000219985_100015343762 [0,2,0,0,0,0|1,0,0]=3 3926 B13R1.706 CCN(C(=O)C)c1ccc(cc1)C 22a_100000219985_100000070787 [0,2,0,0,0,0|1,0,0]=3 3927 B13R1.706 CCN(C(=O)C)c1ccc(cc1)Cl 11a_100000220165_100015343762 [0,2,0,0,0,0|2,0,0]=4 3928 B13R1.706 CCN(C(=O)C)c1ccc(cc1)Cl 1626a_100000220165_100015343762 [0,2,0,0,0,0|2,0,0]=4 3929 B13R1.706 CCN(C(=O)C)c1ccc(cc1)Cl 22a_100000220165_100000070787 [0,2,0,0,0,0|2,0,0]=4 3930 B13R1.706 CCN(C(=O)C)c1ccc(cc1)F 11a_100102640331_100015343762 [0,2,0,0,0,0|2,0,0]=4 3931 B13R1.706 CCN(C(=O)C)c1ccc(cc1)F 1626a_100102640331_100015343762 [0,2,0,0,0,0|2,0,0]=4 3932 B13R1.706 CCN(C(=O)C)c1ccc(cc1)F 22a_100102640331_100000070787 [0,2,0,0,0,0|2,0,0]=4 3933 B13R1.706 CCN(C(=O)C)c1ccc(cc1)O 22a_100011337800_100000070787 [0,2,0,0,0,0|2,0,0]=4 3934 B13R1.706 CNC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_200000210301 [0,2,0,0,0,0|1,0,0]=3 3935 B13R1.706 CNC(C(=O)O)c1ccc(cc1)C 269956a_100138412518_200000210301 [0,2,0,0,0,0|0,0,0]=2 3936 B13R1.706 CNC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_200000210301 [0,2,0,0,0,0|1,0,0]=3 3937 B13R1.706 CNC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_200000210301 [0,2,0,0,0,0|1,0,0]=3 3938 B13R1.706 CN[C@H](c1ccc(cc1)C)C(C)C 2230a_100020633675_200000210301 [0,2,0,0,0,0|1,0,1]=4 3939 B13R1.706 CN[C@H](c1ccc(cc1)C)C(C)C 34a_100020633675_200000210301 [0,2,0,0,0,0|1,0,1]=4 3940 B13R1.706 COC(C(=O)C)c1ccc(cc1)Cl 1458a_100012350483_200000210301 [0,2,0,0,0,0|1,0,0]=3 3941 B13R1.706 COC(C(=O)[13CH3])c1ccc(cc1)Cl 1458a_100012350483_200025704644 [0,2,0,0,0,0|1,0,0]=3 3942 B13R1.706 Cc1ccc(cc1)C(N[13CH3])C(=O)O 269956a_100138412518_200025704644 [0,2,0,0,0,0|0,0,0]=2 3943 B13R1.706 Cc1ccc(cc1)[C@@H](N[13CH3])C(C)C 2230a_100020633675_200025704644 [0,2,0,0,0,0|1,0,1]=4 3944 B13R1.706 Cc1ccc(cc1)[C@@H](N[13CH3])C(C)C 34a_100020633675_200025704644 [0,2,0,0,0,0|1,0,1]=4 3945 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)Br 269956a_100102946273_200025704644 [0,2,0,0,0,0|1,0,0]=3 3946 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)Cl 269956a_100000761553_200025704644 [0,2,0,0,0,0|1,0,0]=3 3947 B13R1.706 [13CH3]NC(C(=O)O)c1ccc(cc1)F 269956a_100011215775_200025704644 [0,2,0,0,0,0|1,0,0]=3 3948 B13R1.961 CCC(NC)c1ccc(cc1Br)C 269862a_106832991636_200012349623 [0,2,0,0,0,0|1,0,1]=4 3949 B13R1.961 CCC(NC)c1ccc(cc1C)C 2230a_100015185828_200000210301 [0,2,0,0,0,0|1,0,1]=4 3950 B13R1.961 CCC(NC)c1ccc(cc1C)C 269862a_106832991636_200011206958 [0,2,0,0,0,0|1,0,1]=4 3951 B13R1.961 CCC(NC)c1ccc(cc1C)C 34a_100015185828_200000210301 [0,2,0,0,0,0|1,0,1]=4 3952 B13R1.961 CCC(N[13CH3])c1ccc(cc1C)C 2230a_100015185828_200025704644 [0,2,0,0,0,0|1,0,1]=4 3953 B13R1.961 CCC(N[13CH3])c1ccc(cc1C)C 34a_100015185828_200025704644 [0,2,0,0,0,0|1,0,1]=4 3954 B13R1.17 C#CCNC(C)c1ccc(cc1)C 34a_100000212058_100011261388 [0,2,0,0,0,0|1,0,1]=4 3955 B13R1.17 C#CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000038162 [0,2,0,0,0,0|1,0,1]=4 3956 B13R1.17 C#CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000184674 [0,2,0,0,0,0|1,0,1]=4 3957 B13R1.17 C#CCOC(C)c1ccc(cc1)C 34a_100000210247_100011261388 [0,2,0,0,0,0|1,0,1]=4 3958 B13R1.17 C#CCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000184674 [0,2,0,0,0,0|1,0,1]=4 3959 B13R1.17 C#CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000038162 [0,2,0,0,0,0|1,0,1]=4 3960 B13R1.17 C#CCSC(C)c1ccc(cc1)C 62a_100000038162_100011261388 [0,2,0,0,0,0|1,0,1]=4 3961 B13R1.17 C/C=C/CN(C)c1ccc(cc1)C 269982a_100000219977_100102629194 [0,2,0,0,0,0|2,0,0]=4 3962 B13R1.17 C/C=C/CN(C)c1ccc(cc1)C 34a_100000219977_100102629194 [0,2,0,0,0,0|2,0,0]=4 3963 B13R1.17 C=CCCN(C)c1ccc(cc1)C 2230a_100000219977_100000754431 [0,2,0,0,0,0|2,0,0]=4 3964 B13R1.17 C=CCCN(C)c1ccc(cc1)C 269982a_100000219977_100000754431 [0,2,0,0,0,0|2,0,0]=4 3965 B13R1.17 C=CCCN(C)c1ccc(cc1)C 34a_100000219977_100000754431 [0,2,0,0,0,0|2,0,0]=4 3966 B13R1.17 C=CCNC(C)c1ccc(cc1)Br 2230a_100020586998_100000755118 [0,2,0,0,0,0|2,0,0]=4 3967 B13R1.17 C=CCNC(C)c1ccc(cc1)C 2230a_100020586998_100011261388 [0,2,0,0,0,0|1,0,0]=3 3968 B13R1.17 C=CCNC(C)c1ccc(cc1)Cl 2230a_100020586998_100000684792 [0,2,0,0,0,0|2,0,0]=4 3969 B13R1.17 C=CCNC(C)c1ccc(cc1)F 2230a_100020586998_100000743420 [0,2,0,0,0,0|2,0,0]=4 3970 B13R1.17 C=CCNC(C)c1ccc(cn1)C 270004a_100020586998_100000084104 [0,2,0,0,0,0|2,0,0]=4 3971 B13R1.17 C=CCNC(C)c1ccc(nc1)C 2230a_100011815741_100000210623 [0,2,0,0,0,0|2,0,0]=4 3972 B13R1.17 C=CCNC(C)c1ccc(nc1)C 34a_100011815741_100015514636 [0,2,0,0,0,0|2,0,0]=4 3973 B13R1.17 C=CCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210623 [0,2,0,0,0,0|2,0,0]=4 3974 B13R1.17 C=CCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100015514636 [0,2,0,0,0,0|2,0,0]=4 3975 B13R1.17 C=CCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210623 [0,2,0,0,0,0|2,0,0]=4 3976 B13R1.17 C=CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210623 [0,2,0,0,0,0|2,0,0]=4 3977 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210623 [0,2,0,0,0,0|2,0,0]=4 3978 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210623 [0,2,0,0,0,0|1,0,0]=3 3979 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100015514636 [0,2,0,0,0,0|1,0,0]=3 3980 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210623 [0,2,0,0,0,0|2,0,0]=4 3981 B13R1.17 C=CCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100015514636 [0,2,0,0,0,0|2,0,0]=4 3982 B13R1.17 C=CCOC(C)c1ccc(cc1)Br 34a_100000745893_100015514636 [0,2,0,0,0,0|2,0,0]=4 3983 B13R1.17 C=CCOC(C)c1ccc(cc1)Br 34a_200000210373_100000755118 [0,2,0,0,0,0|2,0,0]=4 3984 B13R1.17 C=CCOC(C)c1ccc(cc1)Br 7a_100000745893_100015514636 [0,2,0,0,0,0|2,0,0]=4 3985 B13R1.17 C=CCOC(C)c1ccc(cc1)C 34a_200000210373_100011261388 [0,2,0,0,0,0|1,0,0]=3 3986 B13R1.17 C=CCOC(C)c1ccc(cc1)F 34a_100000181323_100015514636 [0,2,0,0,0,0|2,0,0]=4 3987 B13R1.17 C=CCOC(C)c1ccc(cc1)F 34a_200000210373_100000743420 [0,2,0,0,0,0|2,0,0]=4 3988 B13R1.17 C=CCOC(C)c1ccc(cc1)F 7a_100000181323_100015514636 [0,2,0,0,0,0|2,0,0]=4 3989 B13R1.17 C=CCOC(C)c1ccc(cc1)N 34a_100011216399_100015514636 [0,2,0,0,0,0|2,0,0]=4 3990 B13R1.17 C=CCOC(C)c1ccc(nc1)C 34a_200011815720_100015514636 [0,2,0,0,0,0|2,0,0]=4 3991 B13R1.17 C=CCOC(C)c1ccc(nc1)C 7a_200011815720_100015514636 [0,2,0,0,0,0|2,0,0]=4 3992 B13R1.17 C=CCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100015514636 [0,2,0,0,0,0|2,0,0]=4 3993 B13R1.17 C=CCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100015514636 [0,2,0,0,0,0|2,0,0]=4 3994 B13R1.17 C=CCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100015514636 [0,2,0,0,0,0|1,0,0]=3 3995 B13R1.17 C=CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100015514636 [0,2,0,0,0,0|1,0,0]=3 3996 B13R1.17 C=CCSC(C)c1ccc(cc1)Br 62a_100000210623_100000755118 [0,2,0,0,0,0|2,0,0]=4 3997 B13R1.17 C=CCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210623 [0,2,0,0,0,0|2,0,0]=4 3998 B13R1.17 C=CCSC(C)c1ccc(cc1)C 62a_100000210623_100011261388 [0,2,0,0,0,0|1,0,0]=3 3999 B13R1.17 C=CCSC(C)c1ccc(cc1)C 62a_100011261388_100000210623 [0,2,0,0,0,0|1,0,0]=3 4000 B13R1.17 C=CCSC(C)c1ccc(cc1)Cl 62a_100000210623_100000684792 [0,2,0,0,0,0|2,0,0]=4 4001 B13R1.17 C=CCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210623 [0,2,0,0,0,0|2,0,0]=4 4002 B13R1.17 C=CCSC(C)c1ccc(cc1)F 62a_100000210623_100000743420 [0,2,0,0,0,0|2,0,0]=4 4003 B13R1.17 C=CCSC(C)c1ccc(cc1)F 62a_100000743420_100000210623 [0,2,0,0,0,0|2,0,0]=4 4004 B13R1.17 CC(NCC=O)c1ccc(cn1)Br 2230a_100000723930_200015260668 [0,2,0,0,0,0|2,0,0]=4 4005 B13R1.17 CC(OCC=O)c1ccc(cc1)Br 34a_100000745893_200009817547 [0,2,0,0,0,0|1,0,0]=3 4006 B13R1.17 CC(OCC=O)c1ccc(cc1)Br 7a_100000745893_200015260668 [0,2,0,0,0,0|1,0,0]=3 4007 B13R1.17 CC(OCC=O)c1ccc(cc1)F 34a_100000181323_200009817547 [0,2,0,0,0,0|1,0,0]=3 4008 B13R1.17 CC(OCC=O)c1ccc(cc1)F 7a_100000181323_200015260668 [0,2,0,0,0,0|1,0,0]=3 4009 B13R1.17 CC(OCC=O)c1ccc(cc1)N 34a_100011216399_200009817547 [0,2,0,0,0,0|1,0,0]=3 4010 B13R1.17 CC(OCC=O)c1ccc(cn1)Br 34a_100012353650_200009817547 [0,2,0,0,0,0|2,0,0]=4 4011 B13R1.17 CC(OCC=O)c1ccc(cn1)Br 7a_100012353650_200015260668 [0,2,0,0,0,0|2,0,0]=4 4012 B13R1.17 CC(OCC=O)c1ccc(nc1)Br 34a_200010274204_200009817547 [0,2,0,0,0,0|2,0,0]=4 4013 B13R1.17 CC(OCC=O)c1ccc(nc1)Br 7a_200010274204_200015260668 [0,2,0,0,0,0|2,0,0]=4 4014 B13R1.17 CC(OCC=O)c1ccc(nc1)Cl 34a_200012017543_200009817547 [0,2,0,0,0,0|2,0,0]=4 4015 B13R1.17 CC(OCC=O)c1ccc(nc1)Cl 7a_200012017543_200015260668 [0,2,0,0,0,0|2,0,0]=4 4016 B13R1.17 CC(SCC=O)c1ccc(cc1)Br 62a_100000755118_200015260668 [0,2,0,0,0,0|1,0,0]=3 4017 B13R1.17 CC(SCC=O)c1ccc(cc1)Br 62a_200015260668_100000755118 [0,2,0,0,0,0|1,0,0]=3 4018 B13R1.17 CC(SCC=O)c1ccc(cc1)Cl 62a_100000684792_200015260668 [0,2,0,0,0,0|1,0,0]=3 4019 B13R1.17 CC(SCC=O)c1ccc(cc1)Cl 62a_200015260668_100000684792 [0,2,0,0,0,0|1,0,0]=3 4020 B13R1.17 CC(SCC=O)c1ccc(cc1)F 62a_100000743420_200015260668 [0,2,0,0,0,0|1,0,0]=3 4021 B13R1.17 CC(SCC=O)c1ccc(cc1)F 62a_200015260668_100000743420 [0,2,0,0,0,0|1,0,0]=3 4022 B13R1.17 CC=CCN(C)c1ccc(cc1)C 2230a_100000219977_100000070051 [0,2,0,0,0,0|2,0,0]=4 4023 B13R1.17 CC=CCN(C)c1ccc(cc1)C 34a_100000219977_100000070051 [0,2,0,0,0,0|2,0,0]=4 4024 B13R1.17 CCCNC(C)c1ccc(cc1)C 269862a_100020643023_100000185793 [0,2,0,0,0,0|1,0,1]=4 4025 B13R1.17 CCCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210303 [0,2,0,0,0,0|1,0,1]=4 4026 B13R1.17 CCCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210303 [0,2,0,0,0,0|1,0,1]=4 4027 B13R1.17 CCCOC(C)c1ccc(cc1)C 34a_100000210258_100011261388 [0,2,0,0,0,0|1,0,1]=4 4028 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210303 [0,2,0,0,0,0|1,0,1]=4 4029 B13R1.17 CCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210303 [0,2,0,0,0,0|1,0,1]=4 4030 B13R1.17 CCCSC(C)c1ccc(cc1)C 62a_100000210303_100011261388 [0,2,0,0,0,0|1,0,1]=4 4031 B13R1.17 CCCSC(C)c1ccc(cc1)C 62a_100011261388_100000210303 [0,2,0,0,0,0|1,0,1]=4 4032 B13R1.17 COCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000766300 [0,2,0,0,0,0|0,0,2]=4 4033 B13R1.17 COCSC(C)c1ccc(cc1)C 62a_100000766300_100011261388 [0,2,0,0,0,0|0,0,2]=4 4034 B13R1.17 COCSC(C)c1ccc(cc1)C 62a_100011261388_100000766300 [0,2,0,0,0,0|0,0,2]=4 4035 B13R1.17 CSCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100011218213 [0,2,0,0,0,0|0,1,1]=4 4036 B13R1.17 CSCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100011218213 [0,2,0,0,0,0|0,1,1]=4 4037 B13R1.17 CSCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100011218213 [0,2,0,0,0,0|0,1,1]=4 4038 B13R1.17 CSCSC(C)c1ccc(cc1)C 62a_100011218213_100011261388 [0,2,0,0,0,0|0,1,1]=4 4039 B13R1.17 CSCSC(C)c1ccc(cc1)C 62a_100011261388_100011218213 [0,2,0,0,0,0|0,1,1]=4 4040 B13R1.17 C[C@@H](NCC=O)c1ccc(cc1)Br 2230a_100000720352_200015260668 [0,2,0,0,0,0|1,0,0]=3 4041 B13R1.17 C[C@@H](NCC=O)c1ccc(cc1)Cl 2230a_100015205461_200015260668 [0,2,0,0,0,0|1,0,0]=3 4042 B13R1.17 C[C@@H](NCC=O)c1ccc(cc1)Cl 34a_100015205461_200009817547 [0,2,0,0,0,0|1,0,0]=3 4043 B13R1.17 C[C@H](NCC=O)c1ccc(cc1)F 2230a_100025705893_200015260668 [0,2,0,0,0,0|1,0,0]=3 4044 B13R1.17 C[C@H](NCC=O)c1ccc(cc1)F 34a_100025705893_200009817547 [0,2,0,0,0,0|1,0,0]=3 4045 B13R1.17 C[C@H](NCC=O)c1ccc(cc1)I 2230a_100000753911_200015260668 [0,2,0,0,0,0|1,0,0]=3 4046 B13R1.17 C[C@H](NCC=O)c1ccc(cc1)O 2230a_100161106496_200015260668 [0,2,0,0,0,0|1,0,0]=3 4047 B13R1.17 C[C@H](NCC=O)c1ccc(nc1)Br 2230a_100015387476_200015260668 [0,2,0,0,0,0|2,0,0]=4 4048 B13R1.17 C[C@H](OCC=O)c1ccc(cc1)Cl 34a_100011852131_200009817547 [0,2,0,0,0,0|1,0,0]=3 4049 B13R1.17 C[C@H](OCC=O)c1ccc(cc1)Cl 7a_100011852131_200015260668 [0,2,0,0,0,0|1,0,0]=3 4050 B13R1.17 Cc1ccc(cc1)C(C)NCCF 269862a_100000724931_100000185793 [0,2,0,0,0,0|1,0,1]=4 4051 B13R1.17 Cc1ccc(cc1)C(C)NCCF 34a_100000724931_100011261388 [0,2,0,0,0,0|1,0,1]=4 4052 B13R1.17 Cc1ccc(cc1)C(C)NCCO 2230a_100016997473_100011261388 [0,2,0,0,0,0|0,0,2]=4 4053 B13R1.17 Cc1ccc(cc1)C(C)NCCO 269862a_100000210304_100000185793 [0,2,0,0,0,0|0,0,2]=4 4054 B13R1.17 Cc1ccc(cc1)C(C)NCCO 34a_100016990907_100011261388 [0,2,0,0,0,0|0,0,2]=4 4055 B13R1.17 Cc1ccc(cc1)C(C)OCCBr 34a_100000211926_100011261388 [0,2,0,0,0,0|1,0,1]=4 4056 B13R1.17 Cc1ccc(cc1)C(C)OCCN 34a_100000210304_100011261388 [0,2,0,0,0,0|1,0,1]=4 4057 B13R1.17 Cc1ccc(cc1)C(C)SCC#N 62a_100011215382_100011261388 [0,2,0,0,0,0|1,0,1]=4 4058 B13R1.17 Cc1ccc(cc1)C(C)SCC#N 62a_100011261388_100011215382 [0,2,0,0,0,0|1,0,1]=4 4059 B13R1.17 Cc1ccc(cc1)C(C)SCC=O 62a_100011261388_200015260668 [0,2,0,0,0,0|0,0,0]=2 4060 B13R1.17 Cc1ccc(cc1)C(C)SCC=O 62a_200015260668_100011261388 [0,2,0,0,0,0|0,0,0]=2 4061 B13R1.17 Cc1ccc(cc1)C(C)SCCF 62a_100011217306_100011261388 [0,2,0,0,0,0|1,0,1]=4 4062 B13R1.17 Cc1ccc(cc1)C(C)SCCF 62a_100011261388_100011217306 [0,2,0,0,0,0|1,0,1]=4 4063 B13R1.17 Cc1ccc(cc1)C(C)SCCO 62a_100000211926_100011261388 [0,2,0,0,0,0|0,0,2]=4 4064 B13R1.17 Cc1ccc(cc1)C(C)SCCO 62a_100011261388_100000211926 [0,2,0,0,0,0|0,0,2]=4 4065 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCC#N 2230a_100016988085_100011215382 [0,2,0,0,0,0|1,0,1]=4 4066 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCC=O 2230a_100016988085_200015260668 [0,2,0,0,0,0|0,0,0]=2 4067 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCC=O 34a_100016988085_200009817547 [0,2,0,0,0,0|0,0,0]=2 4068 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCCF 2230a_100016988085_100011217306 [0,2,0,0,0,0|1,0,1]=4 4069 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCCF 34a_100016988085_100011217306 [0,2,0,0,0,0|1,0,1]=4 4070 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCCO 2230a_100016988085_100000211926 [0,2,0,0,0,0|0,0,2]=4 4071 B13R1.17 Cc1ccc(cc1)[C@@H](C)NCCO 34a_100016988085_100000211926 [0,2,0,0,0,0|0,0,2]=4 4072 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCC#N 7a_100000690690_100011215382 [0,2,0,0,0,0|1,0,1]=4 4073 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCC=O 34a_100000690690_200009817547 [0,2,0,0,0,0|0,0,0]=2 4074 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCC=O 7a_100000690690_200015260668 [0,2,0,0,0,0|0,0,0]=2 4075 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCF 34a_100000690690_100011217306 [0,2,0,0,0,0|1,0,1]=4 4076 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCF 7a_100000690690_100011217306 [0,2,0,0,0,0|1,0,1]=4 4077 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCO 34a_100000690690_100000211926 [0,2,0,0,0,0|0,0,2]=4 4078 B13R1.17 Cc1ccc(cc1)[C@@H](C)OCCO 7a_100000690690_100000211926 [0,2,0,0,0,0|0,0,2]=4 4079 B13R1.17 Cc1ccc(cn1)C(C)NCC=O 2230a_100011815741_200015260668 [0,2,0,0,0,0|1,0,0]=3 4080 B13R1.17 Cc1ccc(cn1)C(C)NCC=O 34a_100011815741_200009817547 [0,2,0,0,0,0|1,0,0]=3 4081 B13R1.17 Cc1ccc(cn1)C(C)OCC=O 34a_200011815720_200009817547 [0,2,0,0,0,0|1,0,0]=3 4082 B13R1.17 Cc1ccc(cn1)C(C)OCC=O 7a_200011815720_200015260668 [0,2,0,0,0,0|1,0,0]=3 4083 B13R1.17 [2H]C(OCC=O)c1ccc(cc1)F 34a_217856618577_200009817547 [0,2,0,0,0,0|2,0,0]=4 4084 B13R1.17 [2H]C(OCC=O)c1ccc(cc1)F 7a_217856618577_200015260668 [0,2,0,0,0,0|2,0,0]=4 4085 B13R1.132 C=C(C)CN(C)c1ccc(cc1)C 2230a_100000219977_100000748629 [0,2,0,0,0,0|2,0,0]=4 4086 B13R1.132 C=C(C)CN(C)c1ccc(cc1)C 269982a_100000219977_100000748629 [0,2,0,0,0,0|2,0,0]=4 4087 B13R1.132 C=C(C)CN(C)c1ccc(cc1)C 34a_100000219977_100000748629 [0,2,0,0,0,0|2,0,0]=4 4088 B13R1.132 C=C(F)CN(C)c1ccc(cc1)C 2230a_100000219977_100009893438 [0,2,0,0,0,0|2,0,0]=4 4089 B13R1.132 C=C(F)CN(C)c1ccc(cc1)C 269982a_100000219977_100009893438 [0,2,0,0,0,0|2,0,0]=4 4090 B13R1.132 C=C(F)CN(C)c1ccc(cc1)C 34a_100000219977_100009893438 [0,2,0,0,0,0|2,0,0]=4 4091 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)C 1458a_100000070787_100000211441 [0,2,0,0,0,0|1,0,1]=4 4092 B13R1.132 CC(=O)CC(C)c1ccc(cc1)C 1458a_100011240733_200000210301 [0,2,0,0,0,0|0,0,0]=2 4093 B13R1.132 CC(=O)CC(O)c1ccc(cc1)Cl 1458a_100000070787_200011996143 [0,2,0,0,0,0|2,0,0]=4 4094 B13R1.132 CC(=O)C[C@H](O)c1ccc(cc1)F 1458a_100000070787_100000720402 [0,2,0,0,0,0|2,0,0]=4 4095 B13R1.132 CC(=O)NC(C)c1ccc(cc1)O 271570a_203496583355_100000153805 [0,2,0,0,0,0|1,0,0]=3 4096 B13R1.132 CC(=O)NC(C)c1ccc(cn1)Br 11a_100000723930_100015343762 [0,2,0,0,0,0|2,0,0]=4 4097 B13R1.132 CC(=O)NC(C)c1ccc(cn1)Br 1626a_100000723930_100015343762 [0,2,0,0,0,0|2,0,0]=4 4098 B13R1.132 CC(=O)NC(C)c1ccc(cn1)Br 240690a_100000723930_100015343762 [0,2,0,0,0,0|2,0,0]=4 4099 B13R1.132 CC(=O)NC(C)c1ccc(cn1)Br 527a_100000723930_100103153847 [0,2,0,0,0,0|2,0,0]=4 4100 B13R1.132 CC(=O)NC(C)c1ccc(nc1)C 11a_100011815741_100015343762 [0,2,0,0,0,0|1,0,0]=3 4101 B13R1.132 CC(=O)NC(C)c1ccc(nc1)C 1626a_100011815741_100015343762 [0,2,0,0,0,0|1,0,0]=3 4102 B13R1.132 CC(=O)NC(C)c1ccc(nc1)C 240690a_100011815741_100015343762 [0,2,0,0,0,0|1,0,0]=3 4103 B13R1.132 CC(=O)NC(C)c1ccc(nc1)C 527a_100011815741_100103153847 [0,2,0,0,0,0|1,0,0]=3 4104 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 11a_100025705893_100015343762 [0,2,0,0,0,0|1,0,0]=3 4105 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 1626a_100025705893_100015343762 [0,2,0,0,0,0|1,0,0]=3 4106 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 240690a_100025705893_100015343762 [0,2,0,0,0,0|1,0,0]=3 4107 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)F 527a_100025705893_100103153847 [0,2,0,0,0,0|1,0,0]=3 4108 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 11a_100000753911_100015343762 [0,2,0,0,0,0|1,0,0]=3 4109 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 1626a_100000753911_100015343762 [0,2,0,0,0,0|1,0,0]=3 4110 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 240690a_100000753911_100015343762 [0,2,0,0,0,0|1,0,0]=3 4111 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)I 527a_100000753911_100103153847 [0,2,0,0,0,0|1,0,0]=3 4112 B13R1.132 CC(=O)N[C@@H](C)c1ccc(cc1)O 240690a_100161106496_100015343762 [0,2,0,0,0,0|1,0,0]=3 4113 B13R1.132 CC(=O)N[C@@H](C)c1ccc(nc1)Br 11a_100015387476_100015343762 [0,2,0,0,0,0|2,0,0]=4 4114 B13R1.132 CC(=O)N[C@@H](C)c1ccc(nc1)Br 1626a_100015387476_100015343762 [0,2,0,0,0,0|2,0,0]=4 4115 B13R1.132 CC(=O)N[C@@H](C)c1ccc(nc1)Br 240690a_100015387476_100015343762 [0,2,0,0,0,0|2,0,0]=4 4116 B13R1.132 CC(=O)N[C@@H](C)c1ccc(nc1)Br 527a_100015387476_100103153847 [0,2,0,0,0,0|2,0,0]=4 4117 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 11a_100000720352_100015343762 [0,2,0,0,0,0|1,0,0]=3 4118 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 1626a_100000720352_100015343762 [0,2,0,0,0,0|1,0,0]=3 4119 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 240690a_100000720352_100015343762 [0,2,0,0,0,0|1,0,0]=3 4120 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Br 527a_100000720352_100103153847 [0,2,0,0,0,0|1,0,0]=3 4121 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 11a_100016988085_100015343762 [0,2,0,0,0,0|0,0,0]=2 4122 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 1626a_100016988085_100015343762 [0,2,0,0,0,0|0,0,0]=2 4123 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 240690a_100016988085_100015343762 [0,2,0,0,0,0|0,0,0]=2 4124 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)C 527a_100016988085_100103153847 [0,2,0,0,0,0|0,0,0]=2 4125 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 11a_100015205461_100015343762 [0,2,0,0,0,0|1,0,0]=3 4126 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 1626a_100015205461_100015343762 [0,2,0,0,0,0|1,0,0]=3 4127 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 240690a_100015205461_100015343762 [0,2,0,0,0,0|1,0,0]=3 4128 B13R1.132 CC(=O)N[C@H](C)c1ccc(cc1)Cl 527a_100015205461_100103153847 [0,2,0,0,0,0|1,0,0]=3 4129 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 2230a_100000219623_100000747473 [0,2,0,0,0,0|2,0,0]=4 4130 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 269982a_100000219623_100000187820 [0,2,0,0,0,0|2,0,0]=4 4131 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Br 34a_100000219623_100000187820 [0,2,0,0,0,0|2,0,0]=4 4132 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Cl 2230a_100020629279_100000747473 [0,2,0,0,0,0|2,0,0]=4 4133 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Cl 269982a_100020629279_100000187820 [0,2,0,0,0,0|2,0,0]=4 4134 B13R1.132 CN(CC(=O)N)c1ccc(cc1)Cl 34a_100020629279_100000187820 [0,2,0,0,0,0|2,0,0]=4 4135 B13R1.132 CN(CC(=O)N)c1ccc(cc1)F 2230a_100000219829_100000747473 [0,2,0,0,0,0|2,0,0]=4 4136 B13R1.132 CN(CC(=O)N)c1ccc(cc1)F 269982a_100000219829_100000187820 [0,2,0,0,0,0|2,0,0]=4 4137 B13R1.132 CN(CC(=O)N)c1ccc(cc1)F 34a_100000219829_100000187820 [0,2,0,0,0,0|2,0,0]=4 4138 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 2230a_100000743151_100000747473 [0,2,0,0,0,0|2,0,0]=4 4139 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 269982a_100000743151_100000187820 [0,2,0,0,0,0|2,0,0]=4 4140 B13R1.132 CN(CC(=O)N)c1ccc(cc1)I 34a_100000743151_100000187820 [0,2,0,0,0,0|2,0,0]=4 4141 B13R1.132 CN(CC(=O)N)c1ccc(cc1)O 269982a_100000182112_100000187820 [0,2,0,0,0,0|2,0,0]=4 4142 B13R1.132 CN(CC(=O)N)c1ccc(cc1)O 34a_100000182112_100000187820 [0,2,0,0,0,0|2,0,0]=4 4143 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200000210301 [0,2,0,0,0,0|2,0,0]=4 4144 B13R1.132 CN(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200000210301 [0,2,0,0,0,0|2,0,0]=4 4145 B13R1.132 CN(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200000210301 [0,2,0,0,0,0|2,0,0]=4 4146 B13R1.132 CN(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200000210301 [0,2,0,0,0,0|2,0,0]=4 4147 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Br 269982a_100000219623_100020667443 [0,2,0,0,0,0|2,0,0]=4 4148 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Br 34a_100000219623_100020667443 [0,2,0,0,0,0|2,0,0]=4 4149 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Cl 269982a_100020629279_100020667443 [0,2,0,0,0,0|2,0,0]=4 4150 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)Cl 34a_100020629279_100020667443 [0,2,0,0,0,0|2,0,0]=4 4151 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)F 269982a_100000219829_100020667443 [0,2,0,0,0,0|2,0,0]=4 4152 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)F 34a_100000219829_100020667443 [0,2,0,0,0,0|2,0,0]=4 4153 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)I 269982a_100000743151_100020667443 [0,2,0,0,0,0|2,0,0]=4 4154 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)I 34a_100000743151_100020667443 [0,2,0,0,0,0|2,0,0]=4 4155 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)O 269982a_100000182112_100020667443 [0,2,0,0,0,0|2,0,0]=4 4156 B13R1.132 CN(CC(=O)[O-])c1ccc(cc1)O 34a_100000182112_100020667443 [0,2,0,0,0,0|2,0,0]=4 4157 B13R1.132 Cc1ccc(cc1)C(=O)CC(=O)N 1458a_100000188618_100000187820 [0,2,0,0,0,0|1,0,1]=4 4158 B13R1.132 Cc1ccc(cc1)C(=O)CC(=O)[O-] 1458a_100000188618_100020667443 [0,2,0,0,0,0|1,0,1]=4 4159 B13R1.132 Cc1ccc(cc1)C(C)CC(=O)[13CH3] 1458a_100011240733_200025704644 [0,2,0,0,0,0|0,0,0]=2 4160 B13R1.132 Cc1ccc(cc1)C(C)NC(C)C 2230a_100138425928_100011261388 [0,2,0,0,0,0|1,0,1]=4 4161 B13R1.132 Cc1ccc(cc1)C(C)NC(C)C 34a_100138425928_100011261388 [0,2,0,0,0,0|1,0,1]=4 4162 B13R1.132 Cc1ccc(cc1)C(C)OC(C)C 34a_100000212225_100011261388 [0,2,0,0,0,0|1,0,1]=4 4163 B13R1.132 Cc1ccc(cc1)C(C)SC(C)C 62a_100000210206_100011261388 [0,2,0,0,0,0|1,0,1]=4 4164 B13R1.132 Cc1ccc(cc1)C(C)SC(C)C 62a_100011261388_100000210206 [0,2,0,0,0,0|1,0,1]=4 4165 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 2230a_100000219977_100000747473 [0,2,0,0,0,0|1,0,0]=3 4166 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 269982a_100000219977_100000187820 [0,2,0,0,0,0|1,0,0]=3 4167 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)N 34a_100000219977_100000187820 [0,2,0,0,0,0|1,0,0]=3 4168 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)[O-] 269982a_100000219977_100020667443 [0,2,0,0,0,0|1,0,0]=3 4169 B13R1.132 Cc1ccc(cc1)N(C)CC(=O)[O-] 34a_100000219977_100020667443 [0,2,0,0,0,0|1,0,0]=3 4170 B13R1.132 Cc1ccc(cc1)N(C)C[N+](=O)[O-] 269982a_100000219977_100000761209 [0,2,0,0,0,0|1,0,1]=4 4171 B13R1.132 Cc1ccc(cc1)N(C)C[N+](=O)[O-] 34a_100000219977_100000761209 [0,2,0,0,0,0|1,0,1]=4 4172 B13R1.132 Cc1ccc(cc1)[C@@H](C)NC(C)C 2230a_100016988085_100000210206 [0,2,0,0,0,0|1,0,1]=4 4173 B13R1.132 Cc1ccc(cc1)[C@@H](C)NC(C)C 34a_100016988085_100000210206 [0,2,0,0,0,0|1,0,1]=4 4174 B13R1.132 Cc1ccc(cc1)[C@@H](C)OC(C)C 34a_100000690690_100000210206 [0,2,0,0,0,0|1,0,1]=4 4175 B13R1.132 Cc1ccc(cc1)[C@@H](C)OC(C)C 7a_100000690690_100000210206 [0,2,0,0,0,0|1,0,1]=4 4176 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Br 269956a_100000756367_200025704644 [0,2,0,0,0,0|2,0,0]=4 4177 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)Cl 269956a_100000741738_200025704644 [0,2,0,0,0,0|2,0,0]=4 4178 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)F 269956a_100011202419_200025704644 [0,2,0,0,0,0|2,0,0]=4 4179 B13R1.132 [13CH3]N(CC(=O)O)c1ccc(cc1)I 269956a_200011249329_200025704644 [0,2,0,0,0,0|2,0,0]=4 4180 B13R1.466 C=CCN(C)c1ccc(c(c1)Br)C 2230a_100000707694_100000210623 [0,2,0,0,0,0|2,0,0]=4 4181 B13R1.466 C=CCN(C)c1ccc(c(c1)Br)C 269982a_100000707694_100000210623 [0,2,0,0,0,0|2,0,0]=4 4182 B13R1.466 C=CCN(C)c1ccc(c(c1)Br)C 34a_100000707694_100015514636 [0,2,0,0,0,0|2,0,0]=4 4183 B13R1.466 C=CCN(C)c1ccc(c(c1)Br)C 38a_100000707694_100000210623 [0,2,0,0,0,0|2,0,0]=4 4184 B13R1.466 C=CCN(C)c1ccc(c(c1)Cl)C 2230a_100000220120_100000210623 [0,2,0,0,0,0|2,0,0]=4 4185 B13R1.466 C=CCN(C)c1ccc(c(c1)Cl)C 269982a_100000220120_100000210623 [0,2,0,0,0,0|2,0,0]=4 4186 B13R1.466 C=CCN(C)c1ccc(c(c1)Cl)C 34a_100000220120_100015514636 [0,2,0,0,0,0|2,0,0]=4 4187 B13R1.466 C=CCN(C)c1ccc(c(c1)Cl)C 38a_100000220120_100000210623 [0,2,0,0,0,0|2,0,0]=4 4188 B13R1.466 C=CCN(C)c1ccc(c(c1)F)C 2230a_100160572069_100000210623 [0,2,0,0,0,0|2,0,0]=4 4189 B13R1.466 C=CCN(C)c1ccc(c(c1)F)C 269982a_100160572069_100000210623 [0,2,0,0,0,0|2,0,0]=4 4190 B13R1.466 C=CCN(C)c1ccc(c(c1)F)C 34a_100160572069_100015514636 [0,2,0,0,0,0|2,0,0]=4 4191 B13R1.466 C=CCN(C)c1ccc(c(c1)F)C 38a_100160572069_100000210623 [0,2,0,0,0,0|2,0,0]=4 4192 B13R1.466 C=CCN(C)c1ccc(c(c1)F)C 7a_100160572069_100015514636 [0,2,0,0,0,0|2,0,0]=4 4193 B13R1.466 CCNC(C)c1ccc(c(c1)Br)C 269862a_100015525214_100011934287 [0,2,0,0,0,0|1,0,1]=4 4194 B13R1.466 CCNC(C)c1ccc(c(c1)C)C 269862a_100015525214_100000210971 [0,2,0,0,0,0|1,0,1]=4 4195 B13R1.466 CCNC(C)c1ccc(c(c1)Cl)C 2230a_100012005020_100000210202 [0,2,0,0,0,0|1,0,1]=4 4196 B13R1.466 CCNC(C)c1ccc(c(c1)Cl)C 269862a_100015525214_100012002458 [0,2,0,0,0,0|1,0,1]=4 4197 B13R1.466 CCNC(C)c1ccc(c(c1)Cl)C 34a_100012005020_100000210202 [0,2,0,0,0,0|1,0,1]=4 4198 B13R1.466 CCNC(C)c1ccc(c(c1)F)C 269862a_100015525214_100000767010 [0,2,0,0,0,0|1,0,1]=4 4199 B13R1.466 CCNC(C)c1ccc(c(c1)O)C 269862a_100015525214_100000084092 [0,2,0,0,0,0|1,0,1]=4 4200 B13R1.466 CCN[C@@H](C)c1ccc(c(c1)F)C 2230a_100011997884_100000210202 [0,2,0,0,0,0|1,0,1]=4 4201 B13R1.466 CCN[C@@H](C)c1ccc(c(c1)F)C 34a_100011997884_100000210202 [0,2,0,0,0,0|1,0,1]=4 4202 B13R1.466 CCN[C@H](C)c1ccc(c(c1)C)C 2230a_100015184928_100000210202 [0,2,0,0,0,0|1,0,1]=4 4203 B13R1.466 CCN[C@H](C)c1ccc(c(c1)C)C 34a_100015184928_100000210202 [0,2,0,0,0,0|1,0,1]=4 4204 B13R1.466 CN(CC=O)c1ccc(c(c1)Cl)Cl 2230a_100000219944_200015260668 [0,2,0,0,0,0|2,0,0]=4 4205 B13R1.466 CN(CC=O)c1ccc(c(c1)Cl)Cl 269982a_100000219944_200015260668 [0,2,0,0,0,0|2,0,0]=4 4206 B13R1.466 CN(CC=O)c1ccc(c(c1)Cl)Cl 34a_100000219944_200009817547 [0,2,0,0,0,0|2,0,0]=4 4207 B13R1.466 CN(CC=O)c1ccc(c(c1)Cl)F 2230a_100000697440_200015260668 [0,2,0,0,0,0|2,0,0]=4 4208 B13R1.466 CN(CC=O)c1ccc(c(c1)Cl)F 269982a_100000697440_200015260668 [0,2,0,0,0,0|2,0,0]=4 4209 B13R1.466 CN(CC=O)c1ccc(c(c1)Cl)F 34a_100000697440_200009817547 [0,2,0,0,0,0|2,0,0]=4 4210 B13R1.466 CN(CC=O)c1ccc(c(c1)Cl)F 7a_100000697440_200015260668 [0,2,0,0,0,0|2,0,0]=4 4211 B13R1.466 CN(CC=O)c1ccc(c(c1)F)Br 2230a_100012285320_200015260668 [0,2,0,0,0,0|2,0,0]=4 4212 B13R1.466 CN(CC=O)c1ccc(c(c1)F)Br 269982a_100012285320_200015260668 [0,2,0,0,0,0|2,0,0]=4 4213 B13R1.466 CN(CC=O)c1ccc(c(c1)F)Br 34a_100012285320_200009817547 [0,2,0,0,0,0|2,0,0]=4 4214 B13R1.466 CN(CC=O)c1ccc(c(c1)F)Br 7a_100012285320_200015260668 [0,2,0,0,0,0|2,0,0]=4 4215 B13R1.466 CN(CC=O)c1ccc(c(c1)F)F 2230a_100000221014_200015260668 [0,2,0,0,0,0|2,0,0]=4 4216 B13R1.466 CN(CC=O)c1ccc(c(c1)F)F 269982a_100000221014_200015260668 [0,2,0,0,0,0|2,0,0]=4 4217 B13R1.466 CN(CC=O)c1ccc(c(c1)F)F 34a_100000221014_200009817547 [0,2,0,0,0,0|2,0,0]=4 4218 B13R1.466 CN(CC=O)c1ccc(c(c1)F)F 7a_100000221014_200015260668 [0,2,0,0,0,0|2,0,0]=4 4219 B13R1.466 Cc1cc(ccc1Br)N(C)CC=O 2230a_100102888905_200015260668 [0,2,0,0,0,0|2,0,0]=4 4220 B13R1.466 Cc1cc(ccc1Br)N(C)CC=O 269982a_100102888905_200015260668 [0,2,0,0,0,0|2,0,0]=4 4221 B13R1.466 Cc1cc(ccc1Br)N(C)CC=O 34a_100102888905_200009817547 [0,2,0,0,0,0|2,0,0]=4 4222 B13R1.466 Cc1cc(ccc1Cl)N(C)CC=O 2230a_114849113799_200015260668 [0,2,0,0,0,0|2,0,0]=4 4223 B13R1.466 Cc1cc(ccc1Cl)N(C)CC=O 269982a_114849113799_200015260668 [0,2,0,0,0,0|2,0,0]=4 4224 B13R1.466 Cc1cc(ccc1Cl)N(C)CC=O 34a_114849113799_200009817547 [0,2,0,0,0,0|2,0,0]=4 4225 B13R1.466 Cc1cc(ccc1F)N(C)CC=O 2230a_100011756966_200015260668 [0,2,0,0,0,0|2,0,0]=4 4226 B13R1.466 Cc1cc(ccc1F)N(C)CC=O 269982a_100011756966_200015260668 [0,2,0,0,0,0|2,0,0]=4 4227 B13R1.466 Cc1cc(ccc1F)N(C)CC=O 34a_100011756966_200009817547 [0,2,0,0,0,0|2,0,0]=4 4228 B13R1.466 Cc1cc(ccc1F)N(C)CC=O 7a_100011756966_200015260668 [0,2,0,0,0,0|2,0,0]=4 4229 B13R1.466 Cc1ccc(cc1Br)N(C)CC=O 2230a_100000707694_200015260668 [0,2,0,0,0,0|1,0,0]=3 4230 B13R1.466 Cc1ccc(cc1Br)N(C)CC=O 269982a_100000707694_200015260668 [0,2,0,0,0,0|1,0,0]=3 4231 B13R1.466 Cc1ccc(cc1Br)N(C)CC=O 34a_100000707694_200009817547 [0,2,0,0,0,0|1,0,0]=3 4232 B13R1.466 Cc1ccc(cc1C)[C@@H](C)NCF 34a_100015184928_100015361967 [0,2,0,0,0,0|1,0,1]=4 4233 B13R1.466 Cc1ccc(cc1Cl)C(C)NCF 34a_100012005020_100015361967 [0,2,0,0,0,0|1,0,1]=4 4234 B13R1.466 Cc1ccc(cc1Cl)N(C)CC=O 2230a_100000220120_200015260668 [0,2,0,0,0,0|1,0,0]=3 4235 B13R1.466 Cc1ccc(cc1Cl)N(C)CC=O 269982a_100000220120_200015260668 [0,2,0,0,0,0|1,0,0]=3 4236 B13R1.466 Cc1ccc(cc1Cl)N(C)CC=O 34a_100000220120_200009817547 [0,2,0,0,0,0|1,0,0]=3 4237 B13R1.466 Cc1ccc(cc1F)N(C)CC=O 2230a_100160572069_200015260668 [0,2,0,0,0,0|1,0,0]=3 4238 B13R1.466 Cc1ccc(cc1F)N(C)CC=O 269982a_100160572069_200015260668 [0,2,0,0,0,0|1,0,0]=3 4239 B13R1.466 Cc1ccc(cc1F)N(C)CC=O 34a_100160572069_200009817547 [0,2,0,0,0,0|1,0,0]=3 4240 B13R1.466 Cc1ccc(cc1F)N(C)CC=O 7a_100160572069_200015260668 [0,2,0,0,0,0|1,0,0]=3 4241 B13R1.466 Cc1ccc(cc1F)[C@H](C)NCF 34a_100011997884_100015361967 [0,2,0,0,0,0|1,0,1]=4 4242 B13R1.1511 C=CCN(C)c1ccc(cc1Br)C 2230a_100000221369_100000210623 [0,2,0,0,0,0|2,0,0]=4 4243 B13R1.1511 C=CCN(C)c1ccc(cc1Br)C 269982a_100000221369_100000210623 [0,2,0,0,0,0|2,0,0]=4 4244 B13R1.1511 C=CCN(C)c1ccc(cc1Br)C 34a_100000221369_100015514636 [0,2,0,0,0,0|2,0,0]=4 4245 B13R1.1511 CCNC(C)c1ccc(cc1Br)C 269862a_100015525214_100012353930 [0,2,0,0,0,0|1,0,1]=4 4246 B13R1.1511 CCNC(C)c1ccc(cc1C)C 269862a_100015525214_100000211561 [0,2,0,0,0,0|1,0,1]=4 4247 B13R1.1511 CCNC(C)c1ccc(cc1F)C 269862a_100015525214_100011216410 [0,2,0,0,0,0|1,0,1]=4 4248 B13R1.1511 CCNC(C)c1ccc(cc1O)C 269862a_100015525214_100000234885 [0,2,0,0,0,0|1,0,1]=4 4249 B13R1.1511 CCN[C@@H](C)c1ccc(cc1C)C 2230a_100000745882_100000210202 [0,2,0,0,0,0|1,0,1]=4 4250 B13R1.1511 CCN[C@@H](C)c1ccc(cc1C)C 34a_100000745882_100000210202 [0,2,0,0,0,0|1,0,1]=4 4251 B13R1.1511 CCOC(C)c1ccc(cc1C)C 34a_100000246504_100000210202 [0,2,0,0,0,0|1,0,1]=4 4252 B13R1.1511 CCOC(C)c1ccc(cc1C)C 7a_100000246504_100000210202 [0,2,0,0,0,0|1,0,1]=4 4253 B13R1.1511 CN(CC=O)c1ccc(cc1Br)Br 269982a_200000221195_200015260668 [0,2,0,0,0,0|2,0,0]=4 4254 B13R1.1511 CN(CC=O)c1ccc(cc1Br)Br 34a_200000221195_200009817547 [0,2,0,0,0,0|2,0,0]=4 4255 B13R1.1511 CN(CC=O)c1ccc(cc1Br)Cl 269982a_100020633009_200015260668 [0,2,0,0,0,0|2,0,0]=4 4256 B13R1.1511 CN(CC=O)c1ccc(cc1Br)Cl 34a_100020633009_200009817547 [0,2,0,0,0,0|2,0,0]=4 4257 B13R1.1511 CN(CC=O)c1ccc(cc1Br)F 269982a_100011246292_200015260668 [0,2,0,0,0,0|2,0,0]=4 4258 B13R1.1511 CN(CC=O)c1ccc(cc1Br)F 34a_100011246292_200009817547 [0,2,0,0,0,0|2,0,0]=4 4259 B13R1.1511 CN(CC=O)c1ccc(cc1Cl)Br 269982a_100000221650_200015260668 [0,2,0,0,0,0|2,0,0]=4 4260 B13R1.1511 CN(CC=O)c1ccc(cc1Cl)Br 34a_100000221650_200009817547 [0,2,0,0,0,0|2,0,0]=4 4261 B13R1.1511 CN(CC=O)c1ccc(cc1Cl)Cl 269982a_114849113696_200015260668 [0,2,0,0,0,0|2,0,0]=4 4262 B13R1.1511 CN(CC=O)c1ccc(cc1Cl)Cl 34a_114849113696_200009817547 [0,2,0,0,0,0|2,0,0]=4 4263 B13R1.1511 CN(CC=O)c1ccc(cc1F)Br 2230a_100000743884_200015260668 [0,2,0,0,0,0|2,0,0]=4 4264 B13R1.1511 CN(CC=O)c1ccc(cc1F)Br 269982a_100000743884_200015260668 [0,2,0,0,0,0|2,0,0]=4 4265 B13R1.1511 CN(CC=O)c1ccc(cc1F)Br 34a_100000743884_200009817547 [0,2,0,0,0,0|2,0,0]=4 4266 B13R1.1511 CN(CC=O)c1ccc(cc1F)F 2230a_100020633734_200015260668 [0,2,0,0,0,0|2,0,0]=4 4267 B13R1.1511 CN(CC=O)c1ccc(cc1F)F 269982a_100020633734_200015260668 [0,2,0,0,0,0|2,0,0]=4 4268 B13R1.1511 CN(CC=O)c1ccc(cc1F)F 34a_100020633734_200009817547 [0,2,0,0,0,0|2,0,0]=4 4269 B13R1.1511 CN(CC=O)c1ccc(cc1F)I 269982a_114948340911_200015260668 [0,2,0,0,0,0|2,0,0]=4 4270 B13R1.1511 CN(CC=O)c1ccc(cc1F)I 34a_114948340911_200009817547 [0,2,0,0,0,0|2,0,0]=4 4271 B13R1.1511 Cc1cc(ccc1N(C)CC=O)Br 2230a_100000221803_200015260668 [0,2,0,0,0,0|2,0,0]=4 4272 B13R1.1511 Cc1cc(ccc1N(C)CC=O)Br 269982a_100000221803_200015260668 [0,2,0,0,0,0|2,0,0]=4 4273 B13R1.1511 Cc1cc(ccc1N(C)CC=O)Br 34a_100000221803_200009817547 [0,2,0,0,0,0|2,0,0]=4 4274 B13R1.1511 Cc1cc(ccc1N(C)CC=O)Cl 2230a_114849113698_200015260668 [0,2,0,0,0,0|2,0,0]=4 4275 B13R1.1511 Cc1cc(ccc1N(C)CC=O)Cl 269982a_114849113698_200015260668 [0,2,0,0,0,0|2,0,0]=4 4276 B13R1.1511 Cc1cc(ccc1N(C)CC=O)Cl 34a_114849113698_200009817547 [0,2,0,0,0,0|2,0,0]=4 4277 B13R1.1511 Cc1cc(ccc1N(C)CC=O)O 269982a_100161107805_200015260668 [0,2,0,0,0,0|2,0,0]=4 4278 B13R1.1511 Cc1cc(ccc1N(C)CC=O)O 34a_100161107805_200009817547 [0,2,0,0,0,0|2,0,0]=4 4279 B13R1.1511 Cc1ccc(c(c1)Br)N(C)CC=O 2230a_100000221369_200015260668 [0,2,0,0,0,0|1,0,0]=3 4280 B13R1.1511 Cc1ccc(c(c1)Br)N(C)CC=O 269982a_100000221369_200015260668 [0,2,0,0,0,0|1,0,0]=3 4281 B13R1.1511 Cc1ccc(c(c1)Br)N(C)CC=O 34a_100000221369_200009817547 [0,2,0,0,0,0|1,0,0]=3 4282 B13R1.1511 Cc1ccc(c(c1)C)C(C)OCF 34a_100000246504_100015361967 [0,2,0,0,0,0|1,0,1]=4 4283 B13R1.1511 Cc1ccc(c(c1)C)C(C)OCF 7a_100000246504_100015361967 [0,2,0,0,0,0|1,0,1]=4 4284 B13R1.1511 Cc1ccc(c(c1)C)[C@H](C)NCF 34a_100000745882_100015361967 [0,2,0,0,0,0|1,0,1]=4 4285 B13R1.163 CC(=C(C)c1ccc(cc1Br)C)C 271570a_200000049429_100009813563 [0,2,0,0,0,0|1,0,1]=4 4286 B13R1.163 CC(=C(C)c1ccc(cc1C)C)C 271570a_200000049429_100011217332 [0,2,0,0,0,0|1,0,1]=4 4287 B13R1.163 CC(=C(C)c1ccc(cc1Cl)C)C 271570a_200000049429_100011263221 [0,2,0,0,0,0|1,0,1]=4 4288 B13R1.163 CC(=C(C)c1ccc(cc1F)C)C 271570a_200000049429_100011216119 [0,2,0,0,0,0|1,0,1]=4 4289 B13R1.163 CC(=C(C)c1ccc(cc1N)C)C 271570a_200000049429_100011216686 [0,2,0,0,0,0|1,0,1]=4 4290 B13R1.163 CC(=C(C)c1ccc(cc1O)C)C 271570a_200000049429_100012002257 [0,2,0,0,0,0|1,0,1]=4 4291 B13R1.163 CC(=O)C(C)c1ccc(cc1Cl)F 1458a_200012359452_200000210301 [0,2,0,0,0,0|1,0,0]=3 4292 B13R1.163 CC(=O)C(O)c1ccc(cc1F)Br 1458a_100011356516_200000210301 [0,2,0,0,0,0|2,0,0]=4 4293 B13R1.163 CC(=O)C(O)c1ccc(cc1F)F 1458a_100011216397_200000210301 [0,2,0,0,0,0|2,0,0]=4 4294 B13R1.163 CC(=O)N(C)c1ccc(cc1Br)Br 1626a_200000221195_100015343762 [0,2,0,0,0,0|2,0,0]=4 4295 B13R1.163 CC(=O)N(C)c1ccc(cc1Br)C 11a_100000221369_100015343762 [0,2,0,0,0,0|1,0,0]=3 4296 B13R1.163 CC(=O)N(C)c1ccc(cc1Br)C 1626a_100000221369_100015343762 [0,2,0,0,0,0|1,0,0]=3 4297 B13R1.163 CC(=O)N(C)c1ccc(cc1Br)Cl 11a_100020633009_100015343762 [0,2,0,0,0,0|2,0,0]=4 4298 B13R1.163 CC(=O)N(C)c1ccc(cc1Br)Cl 1626a_100020633009_100015343762 [0,2,0,0,0,0|2,0,0]=4 4299 B13R1.163 CC(=O)N(C)c1ccc(cc1Br)F 11a_100011246292_100015343762 [0,2,0,0,0,0|2,0,0]=4 4300 B13R1.163 CC(=O)N(C)c1ccc(cc1Br)F 1626a_100011246292_100015343762 [0,2,0,0,0,0|2,0,0]=4 4301 B13R1.163 CC(=O)N(C)c1ccc(cc1C)Br 11a_100000221803_100015343762 [0,2,0,0,0,0|2,0,0]=4 4302 B13R1.163 CC(=O)N(C)c1ccc(cc1C)Br 1626a_100000221803_100015343762 [0,2,0,0,0,0|2,0,0]=4 4303 B13R1.163 CC(=O)N(C)c1ccc(cc1C)Cl 11a_114849113698_100015343762 [0,2,0,0,0,0|2,0,0]=4 4304 B13R1.163 CC(=O)N(C)c1ccc(cc1C)Cl 1626a_114849113698_100015343762 [0,2,0,0,0,0|2,0,0]=4 4305 B13R1.163 CC(=O)N(C)c1ccc(cc1C)O 22a_100161107805_100000070787 [0,2,0,0,0,0|2,0,0]=4 4306 B13R1.163 CC(=O)N(C)c1ccc(cc1C)O 527a_100161107805_100103153847 [0,2,0,0,0,0|2,0,0]=4 4307 B13R1.163 CC(=O)N(C)c1ccc(cc1Cl)Br 11a_100000221650_100015343762 [0,2,0,0,0,0|2,0,0]=4 4308 B13R1.163 CC(=O)N(C)c1ccc(cc1Cl)Br 1626a_100000221650_100015343762 [0,2,0,0,0,0|2,0,0]=4 4309 B13R1.163 CC(=O)N(C)c1ccc(cc1Cl)Cl 11a_114849113696_100015343762 [0,2,0,0,0,0|2,0,0]=4 4310 B13R1.163 CC(=O)N(C)c1ccc(cc1Cl)Cl 1626a_114849113696_100015343762 [0,2,0,0,0,0|2,0,0]=4 4311 B13R1.163 CC(=O)N(C)c1ccc(cc1F)Br 11a_100000743884_100015343762 [0,2,0,0,0,0|2,0,0]=4 4312 B13R1.163 CC(=O)N(C)c1ccc(cc1F)Br 1626a_100000743884_100015343762 [0,2,0,0,0,0|2,0,0]=4 4313 B13R1.163 CC(=O)N(C)c1ccc(cc1F)F 11a_100020633734_100015343762 [0,2,0,0,0,0|2,0,0]=4 4314 B13R1.163 CC(=O)N(C)c1ccc(cc1F)F 1626a_100020633734_100015343762 [0,2,0,0,0,0|2,0,0]=4 4315 B13R1.163 CC(=O)N(C)c1ccc(cc1F)I 11a_114948340911_100015343762 [0,2,0,0,0,0|2,0,0]=4 4316 B13R1.163 CC(=O)N(C)c1ccc(cc1F)I 1626a_114948340911_100015343762 [0,2,0,0,0,0|2,0,0]=4 4317 B13R1.163 CC(C(=O)[13CH3])c1ccc(cc1Cl)F 1458a_200012359452_200025704644 [0,2,0,0,0,0|1,0,0]=3 4318 B13R1.163 [13CH3]C(=O)C(O)c1ccc(cc1F)Br 1458a_100011356516_200025704644 [0,2,0,0,0,0|2,0,0]=4 4319 B13R1.163 [13CH3]C(=O)C(O)c1ccc(cc1F)F 1458a_100011216397_200025704644 [0,2,0,0,0,0|2,0,0]=4 4320 B13R1.510 CC(=C(C)c1ccc(c(c1)Br)C)C 271570a_200000049429_100011847877 [0,2,0,0,0,0|1,0,1]=4 4321 B13R1.510 CC(=C(C)c1ccc(c(c1)C)C)C 271570a_200000049429_100011215607 [0,2,0,0,0,0|1,0,1]=4 4322 B13R1.510 CC(=C(C)c1ccc(c(c1)Cl)C)C 271570a_200000049429_100011216363 [0,2,0,0,0,0|1,0,1]=4 4323 B13R1.510 CC(=C(C)c1ccc(c(c1)F)C)C 271570a_200000049429_100000720648 [0,2,0,0,0,0|1,0,1]=4 4324 B13R1.510 CC(=C(C)c1ccc(c(c1)N)C)C 271570a_200000049429_100000761890 [0,2,0,0,0,0|1,0,1]=4 4325 B13R1.510 CC(=C(C)c1ccc(c(c1)O)C)C 271570a_200000049429_100000766334 [0,2,0,0,0,0|1,0,1]=4 4326 B13R1.510 CC(=O)C(O)c1ccc(c(c1)F)F 1458a_100011217530_200000210301 [0,2,0,0,0,0|2,0,0]=4 4327 B13R1.510 CC(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200000210301 [0,2,0,0,0,0|2,0,0]=4 4328 B13R1.510 CC(=O)N(C)c1ccc(c(c1)Br)C 11a_100000707694_100015343762 [0,2,0,0,0,0|1,0,0]=3 4329 B13R1.510 CC(=O)N(C)c1ccc(c(c1)Br)C 1626a_100000707694_100015343762 [0,2,0,0,0,0|1,0,0]=3 4330 B13R1.510 CC(=O)N(C)c1ccc(c(c1)Br)C 527a_100000707694_100103153847 [0,2,0,0,0,0|1,0,0]=3 4331 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)Br 11a_100102888905_100015343762 [0,2,0,0,0,0|2,0,0]=4 4332 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)Br 1626a_100102888905_100015343762 [0,2,0,0,0,0|2,0,0]=4 4333 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)Br 22a_100102888905_100000070787 [0,2,0,0,0,0|2,0,0]=4 4334 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)Br 527a_100102888905_100103153847 [0,2,0,0,0,0|2,0,0]=4 4335 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)Cl 11a_114849113799_100015343762 [0,2,0,0,0,0|2,0,0]=4 4336 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)Cl 1626a_114849113799_100015343762 [0,2,0,0,0,0|2,0,0]=4 4337 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)Cl 22a_114849113799_100000070787 [0,2,0,0,0,0|2,0,0]=4 4338 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)F 11a_100011756966_100015343762 [0,2,0,0,0,0|2,0,0]=4 4339 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)F 1626a_100011756966_100015343762 [0,2,0,0,0,0|2,0,0]=4 4340 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)F 22a_100011756966_100000070787 [0,2,0,0,0,0|2,0,0]=4 4341 B13R1.510 CC(=O)N(C)c1ccc(c(c1)C)F 527a_100011756966_100103153847 [0,2,0,0,0,0|2,0,0]=4 4342 B13R1.510 CC(=O)N(C)c1ccc(c(c1)Cl)C 11a_100000220120_100015343762 [0,2,0,0,0,0|1,0,0]=3 4343 B13R1.510 CC(=O)N(C)c1ccc(c(c1)Cl)C 1626a_100000220120_100015343762 [0,2,0,0,0,0|1,0,0]=3 4344 B13R1.510 CC(=O)N(C)c1ccc(c(c1)Cl)C 22a_100000220120_100000070787 [0,2,0,0,0,0|1,0,0]=3 4345 B13R1.510 CC(=O)N(C)c1ccc(c(c1)Cl)Cl 11a_100000219944_100015343762 [0,2,0,0,0,0|2,0,0]=4 4346 B13R1.510 CC(=O)N(C)c1ccc(c(c1)Cl)Cl 1626a_100000219944_100015343762 [0,2,0,0,0,0|2,0,0]=4 4347 B13R1.510 CC(=O)N(C)c1ccc(c(c1)Cl)F 11a_100000697440_100015343762 [0,2,0,0,0,0|2,0,0]=4 4348 B13R1.510 CC(=O)N(C)c1ccc(c(c1)Cl)F 1626a_100000697440_100015343762 [0,2,0,0,0,0|2,0,0]=4 4349 B13R1.510 CC(=O)N(C)c1ccc(c(c1)Cl)F 22a_100000697440_100000070787 [0,2,0,0,0,0|2,0,0]=4 4350 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)Br 11a_100012285320_100015343762 [0,2,0,0,0,0|2,0,0]=4 4351 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)Br 1626a_100012285320_100015343762 [0,2,0,0,0,0|2,0,0]=4 4352 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)C 11a_100160572069_100015343762 [0,2,0,0,0,0|1,0,0]=3 4353 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)C 1626a_100160572069_100015343762 [0,2,0,0,0,0|1,0,0]=3 4354 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)C 22a_100160572069_100000070787 [0,2,0,0,0,0|1,0,0]=3 4355 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)C 527a_100160572069_100103153847 [0,2,0,0,0,0|1,0,0]=3 4356 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)F 11a_100000221014_100015343762 [0,2,0,0,0,0|2,0,0]=4 4357 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)F 1626a_100000221014_100015343762 [0,2,0,0,0,0|2,0,0]=4 4358 B13R1.510 CC(=O)N(C)c1ccc(c(c1)F)F 22a_100000221014_100000070787 [0,2,0,0,0,0|2,0,0]=4 4359 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)F)F 1458a_100011217530_200025704644 [0,2,0,0,0,0|2,0,0]=4 4360 B13R1.510 [13CH3]C(=O)C(O)c1ccc(c(c1)O)O 1458a_200000032065_200025704644 [0,2,0,0,0,0|2,0,0]=4 4361 B13R1.49 CNC(C)c1ccc(c(c1)OC)C 269862a_106832991636_100012706825 [0,2,0,0,0,0|2,0,0]=4 4362 B13R1.1807 CNC(C)c1cc(c(cc1C)C)C 269862a_106832991636_100000211710 [0,2,0,0,0,0|2,0,0]=4 4363 B13R1.1807 CNC(C)c1cc(c(cc1O)C)C 269862a_106832991636_100000014572 [0,2,0,0,0,0|2,0,0]=4 4364 B13R1.1807 CNC(C)c1cc(c(cc1O)C)Cl 269862a_106832991636_100000014566 [0,2,0,0,0,0|2,0,0]=4 4365 B13R1.1808 CNC(C)c1ccc(c(c1F)F)C 269862a_106832991636_100011216409 [0,2,0,0,0,0|2,0,0]=4 4366 B13R1.2678 CNC(C)c1cc(c(c(c1)Cl)C)Cl 269862a_106832991636_100016041873 [0,2,0,0,0,0|2,0,0]=4 4367 B13R1.2065 CNC(C)c1ccc(cc1OC)C 269862a_106832991636_100000234786 [0,2,0,0,0,0|2,0,0]=4 4368 B11R1.37 C=Cc1ccc(cc1C=O)C 271570a_100011290941_100011551863 [0,0,1,1,0,0|0,0,2]=4 4369 B11R1.37 C=Cc1ccc(nc1C=O)C 271570a_100011290941_100010173661 [0,0,1,1,0,0|1,0,1]=4 4370 B11R1.278 C=Cc1ccc(c(c1C)N)C 271570a_100011290941_200010074581 [0,0,1,1,0,0|1,0,1]=4 4371 B11R2.34 Cc1ccc(cc1)C2CC2 271570a_100011220607_100000186775 [1,0,0,1,0,0|1,0,1]=4 4372 B11R2.36 Oc1ccc2c(c1)C=CC2 271570a_203496583355_100009814306 [1,0,0,1,0,0|2,0,0]=4 4373 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [1,0,0,1,0,0|2,0,0]=4 4374 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [1,0,0,1,0,0|2,0,0]=4 4375 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [1,0,0,1,0,0|2,0,0]=4 4376 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [1,0,0,1,0,0|2,0,0]=4 4377 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [1,0,0,1,0,0|2,0,0]=4 4378 B13R2.1069 Cc1ccc(cc1)NC2CCC2 34a_100000124888_100000749161 [0,0,0,1,0,1|1,0,1]=4 4379 B13R2.1069 Cc1ccc(cc1)NC2COC2 34a_100000124888_100009818527 [0,0,0,1,0,1|0,0,2]=4 4380 B13R2.1069 Cc1ccc(cc1)OC2CCC2 34a_100000210336_100000749161 [0,0,0,1,0,1|1,0,1]=4 4381 B13R2.1069 Cc1ccc(cc1)OC2COC2 34a_100000210336_100009818527 [0,0,0,1,0,1|0,0,2]=4 4382 B13R2.1069 Cc1ccc(cc1)OC2COC2 7a_100000210336_100009818527 [0,0,0,1,0,1|0,0,2]=4 4383 B13R2.1069 Cc1ccc(cc1)SC2CCC2 62a_100000186775_100000749161 [0,0,0,1,0,1|1,0,1]=4 4384 B13R2.1069 Cc1ccc(cc1)SC2COC2 62a_100000186775_100009818527 [0,0,0,1,0,1|0,0,2]=4 4385 B13R2.3028 CC1Cc2ccc(cc2C1=O)O 271570a_203496583355_100000694082 [0,0,0,1,0,1|1,0,0]=3 4386 B13R2.3028 CN1Cc2ccc(cc2C1=O)O 271570a_203496583355_100010125600 [0,0,0,1,0,1|2,0,0]=4 4387 B13R2.16 CSc1ccc(cc1)C2CC2N 62a_100000755575_200000210301 [0,1,0,1,0,0|1,0,1]=4 4388 B13R2.16 CSc1ccc(cc1)C2CC2N 62a_200000210301_100000755575 [0,1,0,1,0,0|1,0,1]=4 4389 B13R2.16 [13CH3]Sc1ccc(cc1)C2CC2N 62a_100000755575_200025704644 [0,1,0,1,0,0|1,0,1]=4 4390 B13R2.16 [13CH3]Sc1ccc(cc1)C2CC2N 62a_200025704644_100000755575 [0,1,0,1,0,0|1,0,1]=4 4391 B13R2.185 CSc1ccc(cc1)C2CCC2 62a_200000210301_200010114027 [0,1,0,1,0,0|1,0,1]=4 4392 B13R2.185 CSc1ccc(cc1)C2CCC2 62a_200010114027_200000210301 [0,1,0,1,0,0|1,0,1]=4 4393 B13R2.185 CSc1ccc(cc1)C2COC2 62a_200000210301_100010732642 [0,1,0,1,0,0|0,0,2]=4 4394 B13R2.185 [13CH3]Sc1ccc(cc1)C2CCC2 62a_200010114027_200025704644 [0,1,0,1,0,0|1,0,1]=4 4395 B13R2.185 [13CH3]Sc1ccc(cc1)C2CCC2 62a_200025704644_200010114027 [0,1,0,1,0,0|1,0,1]=4 4396 B13R2.185 [13CH3]Sc1ccc(cc1)C2COC2 62a_200025704644_100010732642 [0,1,0,1,0,0|0,0,2]=4 4397 B13R2.2130 CNc1ccc2c(c1)ccn2C 34a_100011270241_200000210301 [0,1,0,1,0,0|2,0,0]=4 4398 B13R2.2130 CNc1ccc2c(c1)ncn2C 34a_100000186679_200000210301 [0,1,0,1,0,0|2,0,0]=4 4399 B13R2.2130 COc1ccc2c(c1)ncn2C 34a_100000028553_200000210301 [0,1,0,1,0,0|2,0,0]=4 4400 B13R2.2130 CSc1ccc2c(c1)ccn2C 62a_200000210301_100011202928 [0,1,0,1,0,0|2,0,0]=4 4401 B13R2.2130 CSc1ccc2c(c1)ncn2C 62a_200000210301_100000718706 [0,1,0,1,0,0|2,0,0]=4 4402 B13R2.2130 CSc1ccc2c(c[nH]c2c1)C 62a_200000210301_100010209589 [0,1,0,1,0,0|1,0,1]=4 4403 B13R2.2130 CSc1ccc2c(coc2c1)C 62a_200000210301_100010775837 [0,1,0,1,0,0|0,0,2]=4 4404 B13R2.2130 Cc1c[nH]c2c1ccc(c2)S[13CH3] 62a_200025704644_100010209589 [0,1,0,1,0,0|1,0,1]=4 4405 B13R2.2130 Cc1coc2c1ccc(c2)S[13CH3] 62a_200025704644_100010775837 [0,1,0,1,0,0|0,0,2]=4 4406 B13R2.2130 Cn1ccc2c1ccc(c2)N[13CH3] 34a_100011270241_200025704644 [0,1,0,1,0,0|2,0,0]=4 4407 B13R2.2130 Cn1ccc2c1ccc(c2)S[13CH3] 62a_200025704644_100011202928 [0,1,0,1,0,0|2,0,0]=4 4408 B13R2.2130 Cn1cnc2c1ccc(c2)N[13CH3] 34a_100000186679_200025704644 [0,1,0,1,0,0|2,0,0]=4 4409 B13R2.2130 Cn1cnc2c1ccc(c2)O[13CH3] 34a_100000028553_200025704644 [0,1,0,1,0,0|2,0,0]=4 4410 B13R2.2130 Cn1cnc2c1ccc(c2)S[13CH3] 62a_200025704644_100000718706 [0,1,0,1,0,0|2,0,0]=4 4411 B13R2.102 CNC1(CC1)c2ccc(cc2)C 2230a_100015187186_200000210301 [0,1,0,1,0,0|1,0,1]=4 4412 B13R2.102 CNC1(CC1)c2ccc(cc2)C 34a_100015187186_200000210301 [0,1,0,1,0,0|1,0,1]=4 4413 B13R2.102 Cc1ccc(cc1)C2(CC2)N[13CH3] 2230a_100015187186_200025704644 [0,1,0,1,0,0|1,0,1]=4 4414 B13R2.102 Cc1ccc(cc1)C2(CC2)N[13CH3] 34a_100015187186_200025704644 [0,1,0,1,0,0|1,0,1]=4 4415 B13R2.12 Cc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000186775 [0,1,0,1,0,0|1,0,1]=4 4416 B13R2.12 Cc1ccc(cc1)C2=CCOC2 271570a_100009872500_100000186775 [0,1,0,1,0,0|0,0,2]=4 4417 B13R2.12 Cc1ccc(cc1)C2=COCC2 271570a_100000118173_100000186775 [0,1,0,1,0,0|0,0,2]=4 4418 B13R2.662 CNC1CCc2c1ccc(c2)C 2230a_200000746848_200000210301 [0,1,0,1,0,0|1,0,1]=4 4419 B13R2.662 CNC1CCc2c1ccc(c2)C 269862a_106832991636_100000743249 [0,1,0,1,0,0|1,0,1]=4 4420 B13R2.662 CNC1CCc2c1ccc(c2)C 34a_200000746848_200000210301 [0,1,0,1,0,0|1,0,1]=4 4421 B13R2.662 COC1CCc2c1ccc(c2)C 34a_100000103036_200000210301 [0,1,0,1,0,0|1,0,1]=4 4422 B13R2.662 COC1CCc2c1ccc(c2)C 7a_100000103036_200000210301 [0,1,0,1,0,0|1,0,1]=4 4423 B13R2.662 Cc1ccc2c(c1)CCC2N[13CH3] 2230a_200000746848_200025704644 [0,1,0,1,0,0|1,0,1]=4 4424 B13R2.662 Cc1ccc2c(c1)CCC2N[13CH3] 34a_200000746848_200025704644 [0,1,0,1,0,0|1,0,1]=4 4425 B13R2.662 Cc1ccc2c(c1)CCC2O[13CH3] 34a_100000103036_200025704644 [0,1,0,1,0,0|1,0,1]=4 4426 B13R2.662 Cc1ccc2c(c1)CCC2O[13CH3] 7a_100000103036_200025704644 [0,1,0,1,0,0|1,0,1]=4 4427 B13R2.147 O=C1CC(C1)c2ccc(cc2)O 271570a_203496583355_100000741321 [0,1,0,1,0,0|1,0,0]=3 4428 B13R2.5187 Cc1ccc2c(c1)c(nn2C)O 271570a_203496583355_100000123007 [0,1,0,1,0,0|1,0,1]=4 4429 B13R2.5190 CC1C(=O)Nc2c1ccc(c2)O 271570a_203496583355_100010201481 [0,1,0,1,0,0|1,0,0]=3 4430 B13R2.5190 CN1C(=O)Cc2c1ccc(c2)O 271570a_203496583355_100000183948 [0,1,0,1,0,0|2,0,0]=4 4431 B13R2.5190 Cn1c(=O)oc2c1ccc(c2)O 271570a_203496583355_100000753874 [0,1,0,1,0,0|2,0,0]=4 4432 B9R1.35 C=C(C)c1cc(cs1)C 271570a_100000694244_100009876951 [1,0,0,0,1,0|1,0,1]=4 4433 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [1,0,0,0,1,0|1,0,1]=4 4434 B9R1.35 C=C(C)c1csc(c1)C 271570a_100000694244_100000759034 [1,0,0,0,1,0|1,0,1]=4 4435 B11R1.40 C#CC(C)Nc1ccccc1 34a_100000106764_200000035995 [1,0,0,0,0,1|1,0,1]=4 4436 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [1,0,0,0,0,1|1,0,1]=4 4437 B11R1.40 C#CC(C)Sc1ccccc1 62a_200000035995_100000041952 [1,0,0,0,0,1|1,0,1]=4 4438 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [1,0,0,0,0,1|1,0,0]=3 4439 B11R1.40 C=CC(C)Sc1ccccn1 62a_100011215867_100011216584 [1,0,0,0,0,1|2,0,0]=4 4440 B11R1.40 C=CC(C)Sc1cccnc1 62a_100011215867_100000210063 [1,0,0,0,0,1|2,0,0]=4 4441 B11R1.40 C=CC(C)Sc1ccncc1 62a_100011215867_100000728582 [1,0,0,0,0,1|2,0,0]=4 4442 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [1,0,0,0,0,1|1,0,1]=4 4443 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000703298_100000041952 [1,0,0,0,0,1|1,0,1]=4 4444 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000719477_100000703298 [1,0,0,0,0,1|1,0,1]=4 4445 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [1,0,0,0,0,1|0,0,2]=4 4446 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [1,0,0,0,0,1|0,0,2]=4 4447 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [1,0,0,0,0,1|0,0,2]=4 4448 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [1,0,0,0,0,1|0,0,2]=4 4449 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [1,0,0,0,0,1|2,0,0]=4 4450 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [1,0,0,0,0,1|2,0,0]=4 4451 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [1,0,0,0,0,1|2,0,0]=4 4452 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [1,0,0,0,0,1|2,0,0]=4 4453 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [1,0,0,0,0,1|1,0,1]=4 4454 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [1,0,0,0,0,1|1,0,1]=4 4455 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [1,0,0,0,0,1|1,0,1]=4 4456 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [1,0,0,0,0,1|1,0,1]=4 4457 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [1,0,0,0,0,1|1,0,1]=4 4458 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [1,0,0,0,0,1|2,0,0]=4 4459 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [1,0,0,0,0,1|2,0,0]=4 4460 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [1,0,0,0,0,1|2,0,0]=4 4461 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [1,0,0,0,0,1|2,0,0]=4 4462 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [1,0,0,0,0,1|2,0,0]=4 4463 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [1,0,0,0,0,1|2,0,0]=4 4464 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [1,0,0,0,0,1|2,0,0]=4 4465 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [1,0,0,0,0,1|2,0,0]=4 4466 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [1,0,0,0,0,1|2,0,0]=4 4467 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [1,0,0,0,0,1|0,0,2]=4 4468 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [1,0,0,0,0,1|0,0,2]=4 4469 B13R1.14 C#CC(C)NCc1ccc(cc1)C 2230a_100000707721_100000210814 [0,0,0,0,0,2|1,0,1]=4 4470 B13R1.14 C#CC(C)NCc1ccc(cc1)C 270004a_100000707721_100000211033 [0,0,0,0,0,2|1,0,1]=4 4471 B13R1.14 C#CC(C)NCc1ccc(cc1)C 34a_100000174908_200000035995 [0,0,0,0,0,2|1,0,1]=4 4472 B13R1.14 C#CC(C)NCc1ccc(cc1)C 34a_100000707721_100000210814 [0,0,0,0,0,2|1,0,1]=4 4473 B13R1.14 C#CC(C)OCc1ccc(cc1)C 34a_100011215236_200000035995 [0,0,0,0,0,2|1,0,1]=4 4474 B13R1.14 C#CC(C)SCc1ccc(cc1)C 62a_200000035995_100000210814 [0,0,0,0,0,2|1,0,1]=4 4475 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)C 34a_100009815206_100000210814 [0,0,0,0,0,2|1,0,1]=4 4476 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)C 7a_100009815206_100000210814 [0,0,0,0,0,2|1,0,1]=4 4477 B13R1.14 C=CC(=NNc1ccc(cc1)C)C 4a_100000683527_200015361842 [0,0,0,0,0,2|1,0,1]=4 4478 B13R1.14 C=CC(C)OCc1ccc(cc1)Br 34a_100000695699_100000189115 [0,0,0,0,0,2|2,0,0]=4 4479 B13R1.14 C=CC(C)OCc1ccc(cc1)C 34a_100000695699_100000210814 [0,0,0,0,0,2|1,0,0]=3 4480 B13R1.14 C=CC(C)OCc1ccc(cc1)Cl 34a_100000695699_100000694040 [0,0,0,0,0,2|2,0,0]=4 4481 B13R1.14 C=CC(C)OCc1ccc(cc1)F 34a_100000695699_100000198546 [0,0,0,0,0,2|2,0,0]=4 4482 B13R1.14 C=CC(C)OCc1ccc(cc1)I 34a_100000695699_100000189116 [0,0,0,0,0,2|2,0,0]=4 4483 B13R1.14 C=CC(C)OCc1ccc(cn1)C 34a_100000695699_100000691093 [0,0,0,0,0,2|2,0,0]=4 4484 B13R1.14 C=CC(C)OCc1ccc(nc1)C 34a_100000695699_100016987292 [0,0,0,0,0,2|2,0,0]=4 4485 B13R1.14 C=CC(C)SCc1ccc(cc1)Br 62a_100011215867_100000189115 [0,0,0,0,0,2|2,0,0]=4 4486 B13R1.14 C=CC(C)SCc1ccc(cc1)C 62a_100011215867_100000210814 [0,0,0,0,0,2|1,0,0]=3 4487 B13R1.14 C=CC(C)SCc1ccc(cc1)Cl 62a_100011215867_100000187161 [0,0,0,0,0,2|2,0,0]=4 4488 B13R1.14 C=CC(C)SCc1ccc(cc1)F 62a_100011215867_100000187164 [0,0,0,0,0,2|2,0,0]=4 4489 B13R1.14 C=CC(C)SCc1ccc(cc1)I 62a_100011215867_100000189116 [0,0,0,0,0,2|2,0,0]=4 4490 B13R1.14 C=CC(C)SCc1ccc(cn1)C 62a_100011215867_100000691093 [0,0,0,0,0,2|2,0,0]=4 4491 B13R1.14 C=CC(C)SCc1ccc(nc1)C 62a_100011215867_100016987292 [0,0,0,0,0,2|2,0,0]=4 4492 B13R1.14 C=CC(O)CNc1ccc(cc1)C 34a_100000124888_100000730141 [0,0,0,0,0,2|2,0,0]=4 4493 B13R1.14 C=CC(O)COc1ccc(cc1)C 34a_100000210336_100000730141 [0,0,0,0,0,2|2,0,0]=4 4494 B13R1.14 C=CC(O)COc1ccc(cc1)C 7a_100000210336_100000730141 [0,0,0,0,0,2|2,0,0]=4 4495 B13R1.14 C=CC(O)CSc1ccc(cc1)C 62a_100000186775_100000730141 [0,0,0,0,0,2|2,0,0]=4 4496 B13R1.14 C=CC(O)CSc1ccc(cc1)C 62a_100000730141_100000186775 [0,0,0,0,0,2|2,0,0]=4 4497 B13R1.14 CCC(C)CNc1ccc(cc1)C 34a_100000124888_100000748023 [0,0,0,0,0,2|1,0,1]=4 4498 B13R1.14 CCC(C)COc1ccc(cc1)C 34a_100000210336_100000748023 [0,0,0,0,0,2|1,0,1]=4 4499 B13R1.14 CCC(C)COc1ccc(cc1)C 7a_100000210336_100000748023 [0,0,0,0,0,2|1,0,1]=4 4500 B13R1.14 CCC(C)CSc1ccc(cc1)C 62a_100000186775_100000748023 [0,0,0,0,0,2|1,0,1]=4 4501 B13R1.14 CCC(C)CSc1ccc(cc1)C 62a_100000748023_100000186775 [0,0,0,0,0,2|1,0,1]=4 4502 B13R1.14 CCC(C)NCc1ccc(cc1)C 207a_100000209981_100000211033 [0,0,0,0,0,2|1,0,1]=4 4503 B13R1.14 CCC(C)NCc1ccc(cc1)C 2230a_100000174908_100000758301 [0,0,0,0,0,2|1,0,1]=4 4504 B13R1.14 CCC(C)NCc1ccc(cc1)C 2230a_100000209981_100000210814 [0,0,0,0,0,2|1,0,1]=4 4505 B13R1.14 CCC(C)NCc1ccc(cc1)C 270004a_100000209981_100000211033 [0,0,0,0,0,2|1,0,1]=4 4506 B13R1.14 CCC(C)NCc1ccc(cc1)C 34a_100000174908_100011215416 [0,0,0,0,0,2|1,0,1]=4 4507 B13R1.14 CCC(C)OCc1ccc(cc1)C 34a_100011215236_100011215416 [0,0,0,0,0,2|1,0,1]=4 4508 B13R1.14 CCC(C)OCc1ccc(cc1)C 7a_100000210228_100000210814 [0,0,0,0,0,2|1,0,1]=4 4509 B13R1.14 CCC(C)OCc1ccc(cc1)C 7a_100011215236_100000758301 [0,0,0,0,0,2|1,0,1]=4 4510 B13R1.14 CCC(C)SCc1ccc(cc1)C 62a_100000210814_100000758301 [0,0,0,0,0,2|1,0,1]=4 4511 B13R1.14 CCC(C)SCc1ccc(cc1)C 62a_100000758301_100000210814 [0,0,0,0,0,2|1,0,1]=4 4512 B13R1.14 CC[C@H](C)CNc1ccc(cc1)C 34a_100000124888_100009816398 [0,0,0,0,0,2|1,0,1]=4 4513 B13R1.14 CC[C@H](C)COc1ccc(cc1)C 34a_100000210336_100009816398 [0,0,0,0,0,2|1,0,1]=4 4514 B13R1.14 CC[C@H](C)COc1ccc(cc1)C 7a_100000210336_100009816398 [0,0,0,0,0,2|1,0,1]=4 4515 B13R1.14 CC[C@H](C)CSc1ccc(cc1)C 62a_100000186775_100009816398 [0,0,0,0,0,2|1,0,1]=4 4516 B13R1.14 CC[C@H](C)CSc1ccc(cc1)C 62a_100009816398_100000186775 [0,0,0,0,0,2|1,0,1]=4 4517 B13R1.14 CNC(C)COc1ccc(cc1)C 2230a_100000743913_200000210301 [0,0,0,0,0,2|2,0,0]=4 4518 B13R1.14 CNC(C)COc1ccc(cc1)C 34a_100000743913_200000210301 [0,0,0,0,0,2|2,0,0]=4 4519 B13R1.14 CNC(C)CSc1ccc(cc1)C 270004a_106832991635_100000172844 [0,0,0,0,0,2|2,0,0]=4 4520 B13R1.14 COC(C)COc1ccc(cc1)C 34a_100011217472_200000210301 [0,0,0,0,0,2|2,0,0]=4 4521 B13R1.14 COC(C)COc1ccc(cc1)C 7a_100011217472_200000210301 [0,0,0,0,0,2|2,0,0]=4 4522 B13R1.14 COC(C)SCc1ccc(cc1)C 62a_100000210814_100009879195 [0,0,0,0,0,2|2,0,0]=4 4523 B13R1.14 COC(C)SCc1ccc(cc1)C 62a_100009879195_100000210814 [0,0,0,0,0,2|2,0,0]=4 4524 B13R1.14 Cc1ccc(cc1)CNC(C)C#N 2230a_100000174908_100000184139 [0,0,0,0,0,2|1,0,1]=4 4525 B13R1.14 Cc1ccc(cc1)CNC(C)C#N 2230a_100000737613_100000210814 [0,0,0,0,0,2|1,0,1]=4 4526 B13R1.14 Cc1ccc(cc1)CNC(C)CO 2230a_100000174908_100012180447 [0,0,0,0,0,2|0,0,2]=4 4527 B13R1.14 Cc1ccc(cc1)CNC(C)CO 34a_100000174908_100012180447 [0,0,0,0,0,2|0,0,2]=4 4528 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CF 207a_100102880703_100000211033 [0,0,0,0,0,2|1,0,1]=4 4529 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CF 270004a_100102880703_100000211033 [0,0,0,0,0,2|1,0,1]=4 4530 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 207a_100000737577_100000211033 [0,0,0,0,0,2|0,0,2]=4 4531 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 2230a_100000737577_100000210814 [0,0,0,0,0,2|0,0,2]=4 4532 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 270004a_100000737577_100000211033 [0,0,0,0,0,2|0,0,2]=4 4533 B13R1.14 Cc1ccc(cc1)COC(C)C#N 34a_100011218135_100000210814 [0,0,0,0,0,2|1,0,1]=4 4534 B13R1.14 Cc1ccc(cc1)COC(C)C#N 7a_100011215236_100000703298 [0,0,0,0,0,2|1,0,1]=4 4535 B13R1.14 Cc1ccc(cc1)COC(C)CF 34a_100016041109_100000210814 [0,0,0,0,0,2|1,0,1]=4 4536 B13R1.14 Cc1ccc(cc1)COC(C)CF 7a_100016041109_100000210814 [0,0,0,0,0,2|1,0,1]=4 4537 B13R1.14 Cc1ccc(cc1)COC(C)CN 34a_100000210904_100000210814 [0,0,0,0,0,2|1,0,1]=4 4538 B13R1.14 Cc1ccc(cc1)COC(C)CO 34a_100011215236_100012180447 [0,0,0,0,0,2|0,0,2]=4 4539 B13R1.14 Cc1ccc(cc1)COC(C)CO 7a_100011215236_100012180447 [0,0,0,0,0,2|0,0,2]=4 4540 B13R1.14 Cc1ccc(cc1)CSC(C)C#N 62a_100000210814_100000703298 [0,0,0,0,0,2|1,0,1]=4 4541 B13R1.14 Cc1ccc(cc1)CSC(C)C#N 62a_100000703298_100000210814 [0,0,0,0,0,2|1,0,1]=4 4542 B13R1.14 Cc1ccc(cc1)CSC(C)CO 62a_100012180447_100000210814 [0,0,0,0,0,2|0,0,2]=4 4543 B13R1.14 Cc1ccc(cc1)CS[C@H](C)CO 62a_100000210814_100016084084 [0,0,0,0,0,2|0,0,2]=4 4544 B13R1.14 Cc1ccc(cc1)CS[C@H](C)CO 62a_100016084084_100000210814 [0,0,0,0,0,2|0,0,2]=4 4545 B13R1.14 Cc1ccc(cc1)NC[C@@H](C)CO 34a_100000124888_100000059175 [0,0,0,0,0,2|0,0,2]=4 4546 B13R1.14 Cc1ccc(cc1)OCC(C)N[13CH3] 2230a_100000743913_200025704644 [0,0,0,0,0,2|2,0,0]=4 4547 B13R1.14 Cc1ccc(cc1)OCC(C)N[13CH3] 34a_100000743913_200025704644 [0,0,0,0,0,2|2,0,0]=4 4548 B13R1.14 Cc1ccc(cc1)OCC(C)O[13CH3] 34a_100011217472_200025704644 [0,0,0,0,0,2|2,0,0]=4 4549 B13R1.14 Cc1ccc(cc1)OCC(C)O[13CH3] 7a_100011217472_200025704644 [0,0,0,0,0,2|2,0,0]=4 4550 B13R1.14 Cc1ccc(cc1)OC[C@@H](C)CO 34a_100000210336_100000059175 [0,0,0,0,0,2|0,0,2]=4 4551 B13R1.14 Cc1ccc(cc1)OC[C@@H](C)CO 7a_100000210336_100000059175 [0,0,0,0,0,2|0,0,2]=4 4552 B13R1.14 Cc1ccc(cc1)SC[C@@H](C)CO 62a_100000059175_100000186775 [0,0,0,0,0,2|0,0,2]=4 4553 B13R1.14 Cc1ccc(cc1)SC[C@@H](C)CO 62a_100000186775_100000059175 [0,0,0,0,0,2|0,0,2]=4