0 B9R1.35 C=C(C)c1ccc(s1)Br 271570a_100000694244_100010197418 [0,0,0,0,0,0|2,1,0]=3 1 B9R1.35 C=C(C)c1ccc(s1)C 271570a_100000694244_100000761539 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 C=C(C)c1cnc(s1)C 271570a_100000694244_100000764884 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.35 C=C(C)c1ncc(s1)C 271570a_100000694244_100000690809 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [0,0,0,0,0,0|2,1,0]=3 7 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 CC(=O)c1cnc(s1)O 271570a_203496583355_200010173910 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 CC(=O)c1csc(c1)O 271570a_203496583355_200012344231 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.35 CC(=O)c1nc(cs1)O 271570a_203496583355_100010231720 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.35 CC(=O)c1ncc(s1)O 271570a_203496583355_100000693680 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.35 CC(N)c1ccc(s1)O 271570a_203496583355_100102723530 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.35 NC(=O)c1cnc(s1)O 271570a_203496583355_100010220624 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.35 NC(=O)c1coc(n1)O 271570a_203496583355_100009981048 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.35 NC(=O)c1csc(c1)O 271570a_203496583355_100000747962 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.35 NC(=O)c1csc(n1)O 271570a_203496583355_100010247141 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.35 OB(O)c1ccc(s1)O 271570a_203496583355_100009813780 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.35 Oc1ccc(s1)C(F)F 271570a_203496583355_100000733805 [0,0,0,0,0,0|3,0,1]=4 23 B8R1.1 C=Cc1ccc(s1)Br 271570a_100011290941_100010197418 [1,0,0,0,0,0|1,1,0]=3 24 B8R1.1 C=Cc1ccc(s1)C 271570a_100011290941_100000761539 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.1 C=Cc1cnc(s1)C 271570a_100011290941_100000764884 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.1 C=Cc1ncc(s1)C 271570a_100011290941_100000690809 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.1 CSc1ccc(s1)Br 62a_100010197418_200000210301 [1,0,0,0,0,0|2,1,0]=4 29 B8R1.1 CSc1ccc(s1)Br 62a_200000210301_100010197418 [1,0,0,0,0,0|2,1,0]=4 30 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.1 N#Cc1ccc(s1)O 271570a_203496583355_100000737243 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.1 NCc1ccc(s1)O 271570a_203496583355_100000737305 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.1 O=Cc1c[nH]c(c1)O 271570a_203496583355_100009882863 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [1,0,0,0,0,0|1,1,0]=3 40 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [1,0,0,0,0,0|1,0,0]=2 41 B8R1.1 O=Cc1cnc(s1)O 271570a_203496583355_100009814069 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.1 O=Cc1csc(c1)O 271570a_203496583355_100000737087 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.1 O=Cc1csc(n1)O 271570a_203496583355_100009816748 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.1 O=Cc1nc(cs1)O 271570a_203496583355_100009816814 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.1 O=Cc1ncc(s1)O 271570a_203496583355_100000699580 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [1,0,0,0,0,0|1,1,1]=4 47 B8R1.1 OCc1ccc(s1)O 271570a_203496583355_100000246291 [1,0,0,0,0,0|1,0,1]=3 48 B8R1.1 OCc1cnc(s1)O 271570a_203496583355_100009816753 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.1 OCc1ncc(s1)O 271570a_203496583355_100000696694 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_100010197418_200025704644 [1,0,0,0,0,0|2,1,0]=4 51 B8R1.1 [13CH3]Sc1ccc(s1)Br 62a_200025704644_100010197418 [1,0,0,0,0,0|2,1,0]=4 52 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [1,0,0,0,0,0|2,1,0]=4 53 B8R1.7 C=C(C)c1cccs1 271570a_100000694244_100011215356 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.7 C=C(C)c1cncs1 271570a_100000694244_100011934649 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.7 C=C(C)c1nccs1 271570a_100000694244_100000211983 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.14 CC(N[13CH3])c1ccc(s1)Cl 2230a_100102723459_200025704644 [0,1,0,0,0,0|2,0,1]=4 57 B10R1.14 CCC(=O)c1ccc(s1)O 271570a_203496583355_200011203577 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.14 CNC(=O)c1ccc(o1)O 271570a_203496583355_100000159859 [0,1,0,0,0,0|2,1,0]=4 59 B10R1.14 CNC(=O)c1ccc(s1)O 271570a_203496583355_200000155069 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.14 CNC(C)c1ccc(s1)Cl 2230a_100102723459_200000210301 [0,1,0,0,0,0|2,0,1]=4 61 B10R1.14 CNC(C)c1ccc(s1)Cl 269862a_106832991636_100000182421 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.14 COC(=O)c1c[nH]c(c1)O 271570a_203496583355_100009840242 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.14 COC(=O)c1cc(co1)O 271570a_203496583355_100009992624 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.14 COC(=O)c1cc(cs1)O 271570a_203496583355_100009815473 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [0,1,0,0,0,0|1,1,0]=3 67 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [0,1,0,0,0,0|1,0,0]=2 68 B10R1.14 COC(=O)c1cnc([nH]1)O 271570a_203496583355_106744473586 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.14 COC(=O)c1cnc(s1)O 271570a_203496583355_100000738003 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.14 COC(=O)c1coc(n1)O 271570a_203496583355_100010235569 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.14 COC(=O)c1csc(c1)O 271570a_203496583355_100000692058 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.14 COC(=O)c1csc(n1)O 271570a_203496583355_100009816811 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.14 COC(=O)c1nc(cs1)O 271570a_203496583355_100012360158 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.14 COC(=O)c1ncc(s1)O 271570a_203496583355_100010191244 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.14 NNC(=O)c1ccc(o1)O 271570a_203496583355_100000186364 [0,1,0,0,0,0|2,1,0]=4 76 B10R1.14 NNC(=O)c1ccc(s1)O 271570a_203496583355_100000180196 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.31 C=C(C)c1ccc(s1)C#N 271570a_100000694244_100000737243 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.31 C=C(C)c1ccc(s1)C=O 271570a_100000694244_100000179771 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.31 C=C(C)c1ccc(s1)CC 271570a_100000694244_100009844052 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.31 C=C(C)c1ccc(s1)CN 271570a_100000694244_100000737305 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.31 C=C(C)c1ccc(s1)CO 271570a_100000694244_100000246291 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.31 C=Cc1ccc([nH]1)C(=O)C 271570a_100011290941_200010494458 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.31 C=Cc1ccc(o1)C(=O)C 271570a_100011290941_100000229899 [0,1,0,0,0,0|2,1,0]=4 84 B10R1.31 C=Cc1ccc(s1)B(O)O 271570a_100011290941_100009813780 [0,1,0,0,0,0|2,0,1]=4 85 B10R1.31 C=Cc1ccc(s1)C(=O)C 271570a_100011290941_100000183331 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.31 C=Cc1ccc(s1)C(=O)N 271570a_100011290941_100000162267 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.31 C=Cc1cnc(s1)C(=O)C 271570a_100011290941_100000693680 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.31 C=Cc1ncc(s1)C(=O)C 271570a_100011290941_200010173910 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.31 C=Cc1ncc(s1)C(=O)N 271570a_100011290941_100010220624 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.31 CC(=O)c1ccc([nH]1)S[13CH3] 62a_200010494458_200025704644 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.31 CC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000229899 [0,1,0,0,0,0|2,1,0]=4 92 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_100000183331_200025704644 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.31 CC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000034408 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.31 CC(=O)c1cnc(s1)S[13CH3] 62a_200010173910_200025704644 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.31 CC(=O)c1cnc(s1)S[13CH3] 62a_200025704644_200010173910 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.31 CC(=O)c1ncc(s1)S[13CH3] 62a_100000693680_200025704644 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.31 CC(=O)c1ncc(s1)S[13CH3] 62a_200025704644_100000693680 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.31 CNc1ncc(s1)C(=O)C 27a_100102657272_200010173910 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.31 CNc1ncc(s1)C(=O)N 27a_100102657272_100010220624 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.31 CSc1ccc([nH]1)C(=O)C 62a_200010494458_200000210301 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.31 CSc1ccc(o1)C(=O)C 62a_200000210301_100000229899 [0,1,0,0,0,0|2,1,0]=4 102 B10R1.31 CSc1ccc(s1)B(O)O 62a_100009813780_200000210301 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.31 CSc1ccc(s1)B(O)O 62a_200000210301_100009813780 [0,1,0,0,0,0|2,0,1]=4 104 B10R1.31 CSc1ccc(s1)C(=O)C 62a_100000183331_200000210301 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.31 CSc1ccc(s1)C(=O)C 62a_200000210301_200000034408 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.31 CSc1ccc(s1)C(=O)N 62a_100000162267_200000210301 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.31 CSc1cnc(s1)C(=O)C 62a_100000693680_200000210301 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.31 CSc1cnc(s1)C(=O)C 62a_200000210301_100000693680 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.31 CSc1ncc(s1)C(=O)C 62a_200000210301_200010173910 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.31 CSc1ncc(s1)C(=O)C 62a_200010173910_200000210301 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.31 CSc1ncc(s1)C(=O)N 62a_100010220624_200000210301 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.31 CSc1ncc(s1)C(=O)N 62a_200000210301_100010220624 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.31 [13CH3]Sc1ccc(s1)B(O)O 62a_100009813780_200025704644 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.31 [13CH3]Sc1ccc(s1)B(O)O 62a_200025704644_100009813780 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.31 [13CH3]Sc1ccc(s1)C(=O)N 62a_100000162267_200025704644 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.31 [13CH3]Sc1ncc(s1)C(=O)N 62a_100010220624_200025704644 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.31 [13CH3]Sc1ncc(s1)C(=O)N 62a_200025704644_100010220624 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.55 NS(=O)(=O)c1ccc(s1)O 271570a_203496583355_100000164582 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.58 C=C(C)c1cc(c(s1)C)C 271570a_100000694244_100009850898 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.58 CC(=O)c1cc(c(s1)O)C 271570a_203496583355_100000729792 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.58 Cc1cc(sc1O)B(O)O 271570a_203496583355_200010167820 [0,1,0,0,0,0|2,0,1]=4 122 B10R1.58 Cc1sc(cc1O)B(O)O 271570a_203496583355_100010218474 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.59 C=C(C)c1sc(cc1C)C 271570a_100000694244_100000689295 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.59 CC(=O)c1sc(nc1C)O 271570a_203496583355_100010106820 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.59 Cc1cc(c(s1)B(O)O)O 271570a_203496583355_200010138670 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.13 C=C(C)c1ccc(cc1)Cl 271570a_100000694244_100000755918 [0,0,0,0,0,1|3,0,0]=4 127 B10R1.13 C=C(C)c1ccc(cn1)Cl 271570a_100000694244_100011356976 [0,0,0,0,0,1|3,0,0]=4 128 B10R1.13 C=C(C)c1ccc(nc1)Cl 271570a_100000694244_100000034144 [0,0,0,0,0,1|3,0,0]=4 129 B10R1.13 CC(=O)c1ccc(cc1)Br 1458a_100000185839_200000210301 [0,0,0,0,0,1|2,1,0]=4 130 B10R1.13 CC(=O)c1ccc(cc1)C 1458a_100000188618_200000210301 [0,0,0,0,0,1|3,0,0]=4 131 B10R1.13 CC(=O)c1ccc(cc1)Cl 1458a_100000210187_200000210301 [0,0,0,0,0,1|2,0,0]=3 132 B10R1.13 CC(=O)c1ccc(cc1)F 1458a_100000187176_200000210301 [0,0,0,0,0,1|2,1,0]=4 133 B10R1.13 CC(=O)c1ccc(cc1)I 1458a_100000187904_200000210301 [0,0,0,0,0,1|2,1,0]=4 134 B10R1.13 CC(=O)c1ccc(cc1)O 1458a_100000212099_200000210301 [0,0,0,0,0,1|3,0,0]=4 135 B10R1.13 CC(=O)c1ccc(cc1)O 271570a_203496583355_100000185465 [0,0,0,0,0,1|3,0,0]=4 136 B10R1.13 CC(=O)c1ccc(cn1)O 271570a_203496583355_100000686046 [0,0,0,0,0,1|3,0,0]=4 137 B10R1.13 CC(=O)c1ccc(nc1)O 271570a_203496583355_100000684857 [0,0,0,0,0,1|3,0,0]=4 138 B10R1.13 Cc1ccc(cc1)C(=O)[13CH3] 1458a_100000188618_200025704644 [0,0,0,0,0,1|3,0,0]=4 139 B10R1.13 NC(=O)c1ccc(cc1)O 271570a_203496583355_100000162191 [0,0,0,0,0,1|3,0,0]=4 140 B10R1.13 NC(=O)c1ccc(cn1)O 271570a_203496583355_100011219284 [0,0,0,0,0,1|3,0,0]=4 141 B10R1.13 NC(=O)c1ccc(nc1)O 271570a_203496583355_100000162237 [0,0,0,0,0,1|3,0,0]=4 142 B10R1.13 NC(=O)c1ccc(nn1)O 271570a_203496583355_100000761398 [0,0,0,0,0,1|3,0,0]=4 143 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Br 1458a_100000185839_200025704644 [0,0,0,0,0,1|2,1,0]=4 144 B10R1.13 [13CH3]C(=O)c1ccc(cc1)Cl 1458a_100000210187_200025704644 [0,0,0,0,0,1|2,0,0]=3 145 B10R1.13 [13CH3]C(=O)c1ccc(cc1)F 1458a_100000187176_200025704644 [0,0,0,0,0,1|2,1,0]=4 146 B10R1.13 [13CH3]C(=O)c1ccc(cc1)I 1458a_100000187904_200025704644 [0,0,0,0,0,1|2,1,0]=4 147 B10R1.13 [13CH3]C(=O)c1ccc(cc1)O 1458a_100000212099_200025704644 [0,0,0,0,0,1|3,0,0]=4 148 B10R1.54 CC(=Cc1ccc(s1)Br)C 271570a_100102525489_100010197418 [0,0,0,0,0,1|2,1,0]=4 149 B10R1.54 CC(=Cc1ccc(s1)C)C 271570a_100102525489_100000761539 [0,0,0,0,0,1|3,0,0]=4 150 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000070787_100000708592 [0,0,0,0,0,1|1,1,0]=3 151 B10R1.54 CC(=O)Cc1ccc(s1)Br 1458a_100000238643_200000210301 [0,0,0,0,0,1|1,1,0]=3 152 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000070787_100000185097 [0,0,0,0,0,1|1,0,0]=2 153 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_200000210301 [0,0,0,0,0,1|1,0,0]=2 154 B10R1.54 CC(=O)Cc1cnc(s1)Br 1458a_100000070787_100000717027 [0,0,0,0,0,1|2,1,0]=4 155 B10R1.54 CC(=O)Cc1cnc(s1)C 1458a_100000070787_100020635045 [0,0,0,0,0,1|3,0,0]=4 156 B10R1.54 CC(=O)Cc1cnc(s1)Cl 1458a_100000070787_100000058068 [0,0,0,0,0,1|2,0,0]=3 157 B10R1.54 CC(=O)Cc1csc(n1)Cl 1458a_100000070787_100000024076 [0,0,0,0,0,1|3,0,0]=4 158 B10R1.54 CC(=O)Nc1ccc(s1)O 271570a_203496583355_100010002808 [0,0,0,0,0,1|2,0,0]=3 159 B10R1.54 CC(=O)Nc1ncc(s1)O 271570a_203496583355_100000050200 [0,0,0,0,0,1|3,0,0]=4 160 B10R1.54 CN(C)Cc1ccc(s1)Cl 2230a_100102631434_100000185097 [0,0,0,0,0,1|3,0,0]=4 161 B10R1.54 CN(C)Cc1ccc(s1)Cl 269982a_100102631434_100000185097 [0,0,0,0,0,1|3,0,0]=4 162 B10R1.54 CN(C)Cc1ccc(s1)Cl 270004a_100102631434_100000242774 [0,0,0,0,0,1|3,0,0]=4 163 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Br 1458a_100000238643_200025704644 [0,0,0,0,0,1|1,1,0]=3 164 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Cl 1458a_100000238644_200025704644 [0,0,0,0,0,1|1,0,0]=2 165 B10R1.113 C=C(C)c1cc(ccn1)Cl 271570a_100000694244_100010167805 [0,0,0,0,0,1|3,0,0]=4 166 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [0,0,0,0,0,1|3,0,0]=4 167 B10R1.113 C=C(C)c1ccnc(c1)Cl 271570a_100000694244_100000035001 [0,0,0,0,0,1|3,0,0]=4 168 B10R1.113 C=C(C)c1cncc(c1)Cl 271570a_100000694244_100000049639 [0,0,0,0,0,1|3,0,0]=4 169 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [0,0,0,0,0,1|3,0,0]=4 170 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [0,0,0,0,0,1|2,1,0]=4 171 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [0,0,0,0,0,1|3,0,0]=4 172 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [0,0,0,0,0,1|2,0,0]=3 173 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [0,0,0,0,0,1|2,1,0]=4 174 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [0,0,0,0,0,1|2,1,0]=4 175 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [0,0,0,0,0,1|3,0,0]=4 176 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [0,0,0,0,0,1|3,0,0]=4 177 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [0,0,0,0,0,1|3,0,0]=4 178 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [0,0,0,0,0,1|3,0,0]=4 179 B10R1.113 CC(=O)c1ccnc(n1)O 271570a_203496583355_100010643186 [0,0,0,0,0,1|3,0,0]=4 180 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [0,0,0,0,0,1|3,0,0]=4 181 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [0,0,0,0,0,1|3,0,0]=4 182 B10R1.113 NC(=O)c1cc(ccn1)O 271570a_203496583355_100000229564 [0,0,0,0,0,1|3,0,0]=4 183 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [0,0,0,0,0,1|3,0,0]=4 184 B10R1.113 NC(=O)c1cccc(n1)O 271570a_203496583355_100011834053 [0,0,0,0,0,1|3,0,0]=4 185 B10R1.113 NC(=O)c1ccnc(c1)O 271570a_203496583355_100000229836 [0,0,0,0,0,1|3,0,0]=4 186 B10R1.113 NC(=O)c1ccnc(n1)O 271570a_203496583355_100000066158 [0,0,0,0,0,1|3,0,0]=4 187 B10R1.113 NC(=O)c1cncc(c1)O 271570a_203496583355_100000162242 [0,0,0,0,0,1|3,0,0]=4 188 B10R1.113 NC(=O)c1cncc(n1)O 271570a_203496583355_100000764846 [0,0,0,0,0,1|3,0,0]=4 189 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [0,0,0,0,0,1|2,1,0]=4 190 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [0,0,0,0,0,1|2,0,0]=3 191 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [0,0,0,0,0,1|2,1,0]=4 192 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [0,0,0,0,0,1|2,1,0]=4 193 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [0,0,0,0,0,1|3,0,0]=4 194 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,0,1,0,0,0|2,0,0]=4 195 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,0,1,0,0,0|2,0,0]=4 196 B7R1.1 C=Cc1ccco1 271570a_100011290941_100009814098 [2,0,0,0,0,0|1,1,0]=4 197 B7R1.1 C=Cc1cccs1 271570a_100011290941_100011215356 [2,0,0,0,0,0|1,0,0]=3 198 B7R1.1 C=Cc1cncs1 271570a_100011290941_100011934649 [2,0,0,0,0,0|2,0,0]=4 199 B7R1.1 C=Cc1nccs1 271570a_100011290941_100000211983 [2,0,0,0,0,0|2,0,0]=4 200 B7R1.1 CSc1cccs1 62a_100011215356_200000210301 [2,0,0,0,0,0|2,0,0]=4 201 B7R1.1 CSc1cccs1 62a_200000210301_100011215356 [2,0,0,0,0,0|2,0,0]=4 202 B7R1.1 [13CH3]Sc1cccs1 62a_100011215356_200025704644 [2,0,0,0,0,0|2,0,0]=4 203 B7R1.1 [13CH3]Sc1cccs1 62a_200025704644_100011215356 [2,0,0,0,0,0|2,0,0]=4 204 B7R1.2 Cc1ccc(s1)O 271570a_203496583355_100000761539 [2,0,0,0,0,0|1,0,0]=3 205 B7R1.2 Cc1cnc(s1)O 271570a_203496583355_100000690809 [2,0,0,0,0,0|2,0,0]=4 206 B7R1.2 Cc1ncc(s1)O 271570a_203496583355_100000764884 [2,0,0,0,0,0|2,0,0]=4 207 B7R1.2 Oc1ccc(s1)Br 271570a_203496583355_100010197418 [2,0,0,0,0,0|0,1,0]=3 208 B9R1.7 C=C=Cc1ccc(s1)Br 271570a_100015277604_100010197418 [1,1,0,0,0,0|1,1,0]=4 209 B9R1.7 C=C=Cc1ccc(s1)C 271570a_100015277604_100000761539 [1,1,0,0,0,0|2,0,0]=4 210 B9R1.7 CC=Cc1ccc(s1)Br 271570a_100016259895_100010197418 [1,1,0,0,0,0|1,1,0]=4 211 B9R1.7 CC=Cc1ccc(s1)C 271570a_100016259895_100000761539 [1,1,0,0,0,0|2,0,0]=4 212 B9R1.7 CNCc1ccc(s1)Cl 207a_100102657272_100000242774 [1,1,0,0,0,0|1,0,1]=4 213 B9R1.7 CNCc1ccc(s1)Cl 2230a_100000737310_200000210301 [1,1,0,0,0,0|1,0,1]=4 214 B9R1.7 CNCc1ccc(s1)Cl 2230a_106832991635_100000185097 [1,1,0,0,0,0|1,0,1]=4 215 B9R1.7 CNCc1ccc(s1)Cl 270004a_106832991635_100000242774 [1,1,0,0,0,0|1,0,1]=4 216 B9R1.7 CNCc1ccc(s1)Cl 34a_100102657272_100000185097 [1,1,0,0,0,0|1,0,1]=4 217 B9R1.7 CNCc1ccc(s1)Cl 7a_106832991635_100000185097 [1,1,0,0,0,0|1,0,1]=4 218 B9R1.7 COCc1ccc(s1)Br 34a_100138415774_100000708592 [1,1,0,0,0,0|0,1,1]=4 219 B9R1.7 COCc1ccc(s1)C 34a_100000238367_200000210301 [1,1,0,0,0,0|1,0,1]=4 220 B9R1.7 COCc1ccc(s1)Cl 34a_100138415774_100000185097 [1,1,0,0,0,0|0,0,1]=3 221 B9R1.7 COCc1cnc(s1)Cl 34a_100138415774_100000058068 [1,1,0,0,0,0|1,0,1]=4 222 B9R1.7 COCc1cnc(s1)Cl 7a_100000697714_200000210301 [1,1,0,0,0,0|1,0,1]=4 223 B9R1.7 CSCc1ccc(s1)Cl 62a_100000185097_200000210301 [1,1,0,0,0,0|0,1,1]=4 224 B9R1.7 CSCc1ccc(s1)Cl 62a_200000210301_100000185097 [1,1,0,0,0,0|0,1,1]=4 225 B9R1.7 Cc1ccc(s1)CO[13CH3] 34a_100000238367_200025704644 [1,1,0,0,0,0|1,0,1]=4 226 B9R1.7 [13CH3]NCc1ccc(s1)Cl 2230a_100000737310_200025704644 [1,1,0,0,0,0|1,0,1]=4 227 B9R1.7 [13CH3]OCc1cnc(s1)Cl 7a_100000697714_200025704644 [1,1,0,0,0,0|1,0,1]=4 228 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_100000185097_200025704644 [1,1,0,0,0,0|0,1,1]=4 229 B9R1.7 [13CH3]SCc1ccc(s1)Cl 62a_200025704644_100000185097 [1,1,0,0,0,0|0,1,1]=4 230 B9R1.21 C=Cc1ccc(o1)C=O 271570a_100011290941_100000185145 [1,1,0,0,0,0|1,1,0]=4 231 B9R1.21 C=Cc1ccc(s1)C#N 271570a_100011290941_100000737243 [1,1,0,0,0,0|2,0,0]=4 232 B9R1.21 C=Cc1ccc(s1)C=O 271570a_100011290941_100000179771 [1,1,0,0,0,0|1,0,0]=3 233 B9R1.21 C=Cc1ccc(s1)CC 271570a_100011290941_100009844052 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.21 C=Cc1ccc(s1)CN 271570a_100011290941_100000737305 [1,1,0,0,0,0|2,0,0]=4 235 B9R1.21 C=Cc1ccc(s1)CO 271570a_100011290941_100000246291 [1,1,0,0,0,0|1,0,1]=4 236 B9R1.21 C=Cc1cnc(s1)C=O 271570a_100011290941_100000699580 [1,1,0,0,0,0|2,0,0]=4 237 B9R1.21 C=Cc1ncc(s1)C=O 271570a_100011290941_100009814069 [1,1,0,0,0,0|2,0,0]=4 238 B9R1.21 CNc1ncc(s1)C=O 27a_100102657272_100009814069 [1,1,0,0,0,0|2,0,0]=4 239 B9R1.21 CSc1ccc([nH]1)C=O 62a_200000210301_100009875417 [1,1,0,0,0,0|2,0,0]=4 240 B9R1.21 CSc1ccc(o1)C=O 62a_200000210301_100000186757 [1,1,0,0,0,0|1,1,0]=4 241 B9R1.21 CSc1ccc(s1)C=O 62a_100000179771_200000210301 [1,1,0,0,0,0|1,0,0]=3 242 B9R1.21 CSc1ccc(s1)C=O 62a_200000210301_100000179771 [1,1,0,0,0,0|1,0,0]=3 243 B9R1.21 CSc1ccc(s1)CO 62a_100000246291_200000210301 [1,1,0,0,0,0|1,0,1]=4 244 B9R1.21 CSc1ccc(s1)CO 62a_200000210301_100000246291 [1,1,0,0,0,0|1,0,1]=4 245 B9R1.21 CSc1cnc(s1)C=O 62a_100000699580_200000210301 [1,1,0,0,0,0|2,0,0]=4 246 B9R1.21 CSc1cnc(s1)C=O 62a_200000210301_100000699580 [1,1,0,0,0,0|2,0,0]=4 247 B9R1.21 CSc1ncc(s1)C=O 62a_100009814069_200000210301 [1,1,0,0,0,0|2,0,0]=4 248 B9R1.21 CSc1ncc(s1)C=O 62a_200000210301_100009814069 [1,1,0,0,0,0|2,0,0]=4 249 B9R1.21 [13CH3]Sc1ccc([nH]1)C=O 62a_200025704644_100009875417 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.21 [13CH3]Sc1ccc(o1)C=O 62a_200025704644_100000186757 [1,1,0,0,0,0|1,1,0]=4 251 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_100000179771_200025704644 [1,1,0,0,0,0|1,0,0]=3 252 B9R1.21 [13CH3]Sc1ccc(s1)C=O 62a_200025704644_100000179771 [1,1,0,0,0,0|1,0,0]=3 253 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_100000246291_200025704644 [1,1,0,0,0,0|1,0,1]=4 254 B9R1.21 [13CH3]Sc1ccc(s1)CO 62a_200025704644_100000246291 [1,1,0,0,0,0|1,0,1]=4 255 B9R1.21 [13CH3]Sc1cnc(s1)C=O 62a_100000699580_200025704644 [1,1,0,0,0,0|2,0,0]=4 256 B9R1.21 [13CH3]Sc1cnc(s1)C=O 62a_200025704644_100000699580 [1,1,0,0,0,0|2,0,0]=4 257 B9R1.21 [13CH3]Sc1ncc(s1)C=O 62a_100009814069_200025704644 [1,1,0,0,0,0|2,0,0]=4 258 B9R1.21 [13CH3]Sc1ncc(s1)C=O 62a_200025704644_100009814069 [1,1,0,0,0,0|2,0,0]=4 259 B9R1.22 C=Cc1sc(cc1C)C 271570a_100011290941_100000689295 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.22 Cc1cc(c(s1)C=O)O 271570a_203496583355_100011361552 [1,1,0,0,0,0|1,0,0]=3 261 B9R1.22 Cc1cc(sc1C=O)O 271570a_203496583355_100010221198 [1,1,0,0,0,0|1,0,0]=3 262 B9R1.22 Cc1nc(sc1C=O)O 271570a_203496583355_100010339034 [1,1,0,0,0,0|2,0,0]=4 263 B9R1.23 C=Cc1cc(c(s1)C)C 271570a_100011290941_100009850898 [1,1,0,0,0,0|2,0,0]=4 264 B9R1.23 Cc1cc(sc1O)C=O 271570a_203496583355_100000761930 [1,1,0,0,0,0|1,0,0]=3 265 B9R1.23 Cc1sc(cc1O)C=O 271570a_203496583355_100000708457 [1,1,0,0,0,0|1,0,0]=3 266 B9R1.23 Cc1sc(cc1O)CO 271570a_203496583355_100013897464 [1,1,0,0,0,0|1,0,1]=4 267 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [1,1,0,0,0,0|1,0,1]=4 268 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [1,1,0,0,0,0|1,0,1]=4 269 B9R1.41 C=C(C)c1sccc1Br 271570a_100000694244_100012361411 [1,1,0,0,0,0|2,0,0]=4 270 B9R1.41 C=C(C)c1sccc1C 271570a_100000694244_100000742657 [1,1,0,0,0,0|2,0,0]=4 271 B9R1.41 CC(=O)c1sccc1O 271570a_203496583355_100000738688 [1,1,0,0,0,0|1,0,0]=3 272 B9R1.41 CC(=O)c1scnc1O 271570a_203496583355_200010339033 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [0,1,0,0,0,1|2,0,0]=4 274 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [0,1,0,0,0,1|2,0,0]=4 275 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [0,1,0,0,0,1|2,0,0]=4 276 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [0,1,0,0,0,1|2,0,0]=4 277 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [0,1,0,0,0,1|2,0,0]=4 278 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [0,1,0,0,0,1|2,0,0]=4 279 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [0,1,0,0,0,1|2,0,0]=4 280 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [0,1,0,0,0,1|2,0,0]=4 281 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [0,1,0,0,0,1|2,0,0]=4 282 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [0,1,0,0,0,1|2,0,0]=4 283 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [0,1,0,0,0,1|2,0,0]=4 284 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [0,1,0,0,0,1|2,0,0]=4 285 B11R1.22 CCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210202 [0,1,0,0,0,1|2,0,0]=4 286 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [0,1,0,0,0,1|2,0,0]=4 287 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [0,1,0,0,0,1|2,0,0]=4 288 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [0,1,0,0,0,1|2,0,0]=4 289 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [0,1,0,0,0,1|2,0,0]=4 290 B11R1.22 COC(=O)c1ccc(cc1)O 271570a_203496583355_100000150774 [0,1,0,0,0,1|2,0,0]=4 291 B11R1.22 COC(=O)c1ccc(cn1)O 271570a_203496583355_100000690920 [0,1,0,0,0,1|2,0,0]=4 292 B11R1.22 COC(=O)c1ccc(nc1)O 271570a_203496583355_100000733799 [0,1,0,0,0,1|2,0,0]=4 293 B11R1.22 COC(=O)c1ccc(nn1)O 271570a_203496583355_100009816182 [0,1,0,0,0,1|2,0,0]=4 294 B11R1.22 O=C(CF)c1ccc(cc1)Cl 1458a_100000210187_100015361967 [0,1,0,0,0,1|2,0,0]=4 295 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [0,1,0,0,0,1|2,0,0]=4 296 B11R1.166 CC(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200000210301 [0,1,0,0,0,1|2,0,0]=4 297 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [0,1,0,0,0,1|2,0,0]=4 298 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200000210301 [0,1,0,0,0,1|2,0,0]=4 299 B11R1.166 CC(=O)c1ccc(cc1F)Cl 1458a_100000212326_200000210301 [0,1,0,0,0,1|2,0,0]=4 300 B11R1.166 CC(=O)c1ccc(cc1I)Cl 1458a_100000739380_200000210301 [0,1,0,0,0,1|2,0,0]=4 301 B11R1.166 CC(=O)c1ccc(cc1O)Cl 1458a_100000188622_200000210301 [0,1,0,0,0,1|2,0,0]=4 302 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [0,1,0,0,0,1|2,0,0]=4 303 B11R1.166 [13CH3]C(=O)c1ccc(cc1Br)Cl 1458a_100000766353_200025704644 [0,1,0,0,0,1|2,0,0]=4 304 B11R1.166 [13CH3]C(=O)c1ccc(cc1Cl)Cl 1458a_100000185840_200025704644 [0,1,0,0,0,1|2,0,0]=4 305 B11R1.166 [13CH3]C(=O)c1ccc(cc1F)Cl 1458a_100000212326_200025704644 [0,1,0,0,0,1|2,0,0]=4 306 B11R1.166 [13CH3]C(=O)c1ccc(cc1I)Cl 1458a_100000739380_200025704644 [0,1,0,0,0,1|2,0,0]=4 307 B11R1.166 [13CH3]C(=O)c1ccc(cc1O)Cl 1458a_100000188622_200025704644 [0,1,0,0,0,1|2,0,0]=4 308 B11R1.39 C#CC(=O)Cc1ccc(s1)Br 1458a_100000211873_100000708592 [0,1,0,0,0,1|1,1,0]=4 309 B11R1.39 C#CC(=O)Cc1ccc(s1)Cl 1458a_100000211873_100000185097 [0,1,0,0,0,1|1,0,0]=3 310 B11R1.39 C#CC(=O)Cc1cnc(s1)Cl 1458a_100000211873_100000058068 [0,1,0,0,0,1|2,0,0]=4 311 B11R1.39 C=CC(=O)Cc1ccc(s1)Br 1458a_100000185746_100000708592 [0,1,0,0,0,1|1,1,0]=4 312 B11R1.39 C=CC(=O)Cc1ccc(s1)Cl 1458a_100000185746_100000185097 [0,1,0,0,0,1|1,0,0]=3 313 B11R1.39 C=CC(=O)Cc1cnc(s1)Cl 1458a_100000185746_100000058068 [0,1,0,0,0,1|2,0,0]=4 314 B11R1.39 CCC(=O)Cc1ccc(s1)Br 1458a_100000210414_100000708592 [0,1,0,0,0,1|1,1,0]=4 315 B11R1.39 CCC(=O)Cc1ccc(s1)Br 1458a_100000238643_100000210202 [0,1,0,0,0,1|1,1,0]=4 316 B11R1.39 CCC(=O)Cc1ccc(s1)Cl 1458a_100000210414_100000185097 [0,1,0,0,0,1|1,0,0]=3 317 B11R1.39 CCC(=O)Cc1ccc(s1)Cl 1458a_100000238644_100000210202 [0,1,0,0,0,1|1,0,0]=3 318 B11R1.39 CCC(=O)Cc1cnc(s1)Cl 1458a_100000210414_100000058068 [0,1,0,0,0,1|2,0,0]=4 319 B11R1.39 CNC(=O)Cc1ccc(s1)Br 11a_106832991635_100000238643 [0,1,0,0,0,1|1,1,0]=4 320 B11R1.39 CNC(=O)Cc1ccc(s1)Br 1626a_100102657272_100000238643 [0,1,0,0,0,1|1,1,0]=4 321 B11R1.39 CNC(=O)Cc1ccc(s1)Cl 11a_106832991635_100000238644 [0,1,0,0,0,1|1,0,0]=3 322 B11R1.39 CNC(=O)Cc1ccc(s1)Cl 1626a_100102657272_100000238644 [0,1,0,0,0,1|1,0,0]=3 323 B11R1.39 CNC(=O)Cc1ccc(s1)Cl 240690a_100102657272_100000238644 [0,1,0,0,0,1|1,0,0]=3 324 B11R1.39 COC(=O)Cc1ccc(s1)O 271570a_203496583355_100012028946 [0,1,0,0,0,1|1,0,0]=3 325 B11R1.39 Cc1ncc(s1)CC(=O)CO 1458a_100000210174_100020635045 [0,1,0,0,0,1|2,0,0]=4 326 B11R1.39 O=C(CF)Cc1ccc(s1)Br 1458a_100000238643_100015361967 [0,1,0,0,0,1|1,1,0]=4 327 B11R1.39 O=C(CF)Cc1ccc(s1)Cl 1458a_100000238644_100015361967 [0,1,0,0,0,1|1,0,0]=3 328 B11R1.39 O=C(CO)Cc1ccc(s1)Br 1458a_100000210174_100000708592 [0,1,0,0,0,1|0,1,0]=3 329 B11R1.39 O=C(CO)Cc1ccc(s1)Cl 1458a_100000210174_100000185097 [0,1,0,0,0,1|0,0,0]=2 330 B11R1.39 O=C(CO)Cc1cnc(s1)Br 1458a_100000210174_100000717027 [0,1,0,0,0,1|1,1,0]=4 331 B11R1.39 O=C(CO)Cc1cnc(s1)Cl 1458a_100000210174_100000058068 [0,1,0,0,0,1|1,0,0]=3 332 B11R1.39 O=C(CO)Cc1csc(n1)Cl 1458a_100000210174_100000024076 [0,1,0,0,0,1|2,0,0]=4 333 B11R1.43 C=Cc1ccc(s1)NC(=O)C 271570a_100011290941_100010002808 [0,1,0,0,0,1|2,0,0]=4 334 B11R1.43 CC(=O)Cc1ccc(s1)C#N 1458a_100000070787_100010188212 [0,1,0,0,0,1|2,0,0]=4 335 B11R1.43 CC(=O)Nc1ccc(s1)S[13CH3] 62a_200025704644_100010002808 [0,1,0,0,0,1|2,0,0]=4 336 B11R1.43 CSc1ccc(s1)NC(=O)C 62a_200000210301_100010002808 [0,1,0,0,0,1|2,0,0]=4 337 B11R1.23 CCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210202 [0,1,0,0,0,1|2,0,0]=4 338 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [0,1,0,0,0,1|2,0,0]=4 339 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [0,1,0,0,0,1|2,0,0]=4 340 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [0,1,0,0,0,1|2,0,0]=4 341 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [0,1,0,0,0,1|2,0,0]=4 342 B11R1.23 COC(=O)c1cc(ccn1)O 271570a_203496583355_100000693414 [0,1,0,0,0,1|2,0,0]=4 343 B11R1.23 COC(=O)c1cccc(c1)O 271570a_203496583355_100000148679 [0,1,0,0,0,1|2,0,0]=4 344 B11R1.23 COC(=O)c1cccc(n1)O 271570a_203496583355_100000708286 [0,1,0,0,0,1|2,0,0]=4 345 B11R1.23 COC(=O)c1ccnc(c1)O 271570a_203496583355_100011934382 [0,1,0,0,0,1|2,0,0]=4 346 B11R1.23 COC(=O)c1ccnc(n1)O 271570a_203496583355_100000070389 [0,1,0,0,0,1|2,0,0]=4 347 B11R1.23 COC(=O)c1cncc(c1)O 271570a_203496583355_100000148912 [0,1,0,0,0,1|2,0,0]=4 348 B11R1.23 COC(=O)c1cncc(n1)O 271570a_203496583355_100000765340 [0,1,0,0,0,1|2,0,0]=4 349 B11R1.23 O=C(CF)c1cccc(c1)Cl 1458a_100000210390_100015361967 [0,1,0,0,0,1|2,0,0]=4 350 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200000210301 [0,1,0,0,0,1|2,0,0]=4 351 B11R1.74 CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_200000210301 [0,1,0,0,0,1|2,0,0]=4 352 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200000210301 [0,1,0,0,0,1|2,0,0]=4 353 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200000210301 [0,1,0,0,0,1|2,0,0]=4 354 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200000210301 [0,1,0,0,0,1|2,0,0]=4 355 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200000210301 [0,1,0,0,0,1|2,0,0]=4 356 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000684526_200025704644 [0,1,0,0,0,1|2,0,0]=4 357 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200025704644 [0,1,0,0,0,1|2,0,0]=4 358 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200025704644 [0,1,0,0,0,1|2,0,0]=4 359 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200025704644 [0,1,0,0,0,1|2,0,0]=4 360 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200025704644 [0,1,0,0,0,1|2,0,0]=4 361 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200025704644 [0,1,0,0,0,1|2,0,0]=4 362 B11R1.159 CC(=O)c1cccc(c1Br)Cl 1458a_100012339722_200000210301 [0,1,0,0,0,1|2,0,0]=4 363 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [0,1,0,0,0,1|2,0,0]=4 364 B11R1.159 CC(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200000210301 [0,1,0,0,0,1|2,0,0]=4 365 B11R1.159 CC(=O)c1cccc(c1F)Cl 1458a_100000688816_200000210301 [0,1,0,0,0,1|2,0,0]=4 366 B11R1.159 CC(=O)c1cccc(c1I)Cl 1458a_100010176784_200000210301 [0,1,0,0,0,1|2,0,0]=4 367 B11R1.159 CC(=O)c1cccc(c1O)Cl 1458a_100000742801_200000210301 [0,1,0,0,0,1|2,0,0]=4 368 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [0,1,0,0,0,1|2,0,0]=4 369 B11R1.159 [13CH3]C(=O)c1cccc(c1Br)Cl 1458a_100012339722_200025704644 [0,1,0,0,0,1|2,0,0]=4 370 B11R1.159 [13CH3]C(=O)c1cccc(c1Cl)Cl 1458a_100000183631_200025704644 [0,1,0,0,0,1|2,0,0]=4 371 B11R1.159 [13CH3]C(=O)c1cccc(c1F)Cl 1458a_100000688816_200025704644 [0,1,0,0,0,1|2,0,0]=4 372 B11R1.159 [13CH3]C(=O)c1cccc(c1I)Cl 1458a_100010176784_200025704644 [0,1,0,0,0,1|2,0,0]=4 373 B11R1.159 [13CH3]C(=O)c1cccc(c1O)Cl 1458a_100000742801_200025704644 [0,1,0,0,0,1|2,0,0]=4 374 B11R1.167 CC(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200000210301 [0,1,0,0,0,1|2,0,0]=4 375 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [0,1,0,0,0,1|2,0,0]=4 376 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200000210301 [0,1,0,0,0,1|2,0,0]=4 377 B11R1.167 CC(=O)c1cc(ccc1F)Cl 1458a_100000214954_200000210301 [0,1,0,0,0,1|2,0,0]=4 378 B11R1.167 CC(=O)c1cc(ccc1I)Cl 1458a_100000739379_200000210301 [0,1,0,0,0,1|2,0,0]=4 379 B11R1.167 CC(=O)c1cc(ccc1O)Cl 1458a_100000212143_200000210301 [0,1,0,0,0,1|2,0,0]=4 380 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [0,1,0,0,0,1|2,0,0]=4 381 B11R1.167 [13CH3]C(=O)c1cc(ccc1Br)Cl 1458a_100000736951_200025704644 [0,1,0,0,0,1|2,0,0]=4 382 B11R1.167 [13CH3]C(=O)c1cc(ccc1Cl)Cl 1458a_100000210642_200025704644 [0,1,0,0,0,1|2,0,0]=4 383 B11R1.167 [13CH3]C(=O)c1cc(ccc1F)Cl 1458a_100000214954_200025704644 [0,1,0,0,0,1|2,0,0]=4 384 B11R1.167 [13CH3]C(=O)c1cc(ccc1I)Cl 1458a_100000739379_200025704644 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.167 [13CH3]C(=O)c1cc(ccc1O)Cl 1458a_100000212143_200025704644 [0,1,0,0,0,1|2,0,0]=4 386 B11R1.6 CNS(=O)(=O)c1ccc(s1)Cl 270084a_100102657272_100000211601 [0,2,0,0,0,0|1,0,1]=4 387 B11R1.6 CNS(=O)(=O)c1ccc(s1)Cl 274078a_100102657272_100000211601 [0,2,0,0,0,0|1,0,1]=4 388 B11R1.15 CCNC(=O)c1ccc(s1)O 271570a_203496583355_200000155171 [0,2,0,0,0,0|2,0,0]=4 389 B11R1.15 CCOC(=O)c1ccc([nH]1)O 271570a_203496583355_200000687776 [0,2,0,0,0,0|2,0,0]=4 390 B11R1.15 CCOC(=O)c1ccc(o1)O 271570a_203496583355_200000170220 [0,2,0,0,0,0|1,1,0]=4 391 B11R1.15 CCOC(=O)c1ccc(s1)O 271570a_203496583355_100000172375 [0,2,0,0,0,0|1,0,0]=3 392 B11R1.15 CCOC(=O)c1cnc(s1)O 271570a_203496583355_100009814955 [0,2,0,0,0,0|2,0,0]=4 393 B11R1.15 CCOC(=O)c1ncc(s1)O 271570a_203496583355_100012362614 [0,2,0,0,0,0|2,0,0]=4 394 B11R1.15 CNCC(=O)c1ccc(s1)Br 2230a_106832991635_100000185163 [0,2,0,0,0,0|1,1,0]=4 395 B11R1.15 CNCC(=O)c1ccc(s1)Br 7a_106832991635_100000185163 [0,2,0,0,0,0|1,1,0]=4 396 B11R1.15 CNCC(=O)c1ccc(s1)C 2230a_106832991635_100011262362 [0,2,0,0,0,0|2,0,0]=4 397 B11R1.15 CNCC(=O)c1ccc(s1)C 34a_100102657272_100011262362 [0,2,0,0,0,0|2,0,0]=4 398 B11R1.15 CNCC(=O)c1ccc(s1)C 7a_106832991635_100011262362 [0,2,0,0,0,0|2,0,0]=4 399 B11R1.15 CNCC(=O)c1ccc(s1)Cl 2230a_106832991635_100000185135 [0,2,0,0,0,0|1,0,0]=3 400 B11R1.15 CNCC(=O)c1ccc(s1)Cl 7a_106832991635_100000185135 [0,2,0,0,0,0|1,0,0]=3 401 B11R1.15 COCC(=O)c1ccc(s1)C 34a_100138415774_100011262362 [0,2,0,0,0,0|1,0,0]=3 402 B11R1.15 CSCC(=O)c1ccc(s1)Br 62a_100000185163_200000210301 [0,2,0,0,0,0|0,2,0]=4 403 B11R1.15 CSCC(=O)c1ccc(s1)C 62a_100011262362_200000210301 [0,2,0,0,0,0|1,1,0]=4 404 B11R1.15 CSCC(=O)c1ccc(s1)C 62a_200000210301_100011262362 [0,2,0,0,0,0|1,1,0]=4 405 B11R1.15 CSCC(=O)c1ccc(s1)Cl 62a_100000185135_200000210301 [0,2,0,0,0,0|0,1,0]=3 406 B11R1.15 CSCC(=O)c1ccc(s1)Cl 62a_200000210301_100000185135 [0,2,0,0,0,0|0,1,0]=3 407 B11R1.15 Cc1ccc(s1)C(=O)CS[13CH3] 62a_100011262362_200025704644 [0,2,0,0,0,0|1,1,0]=4 408 B11R1.15 Cc1ccc(s1)C(=O)CS[13CH3] 62a_200025704644_100011262362 [0,2,0,0,0,0|1,1,0]=4 409 B11R1.15 [13CH3]SCC(=O)c1ccc(s1)Br 62a_100000185163_200025704644 [0,2,0,0,0,0|0,2,0]=4 410 B11R1.15 [13CH3]SCC(=O)c1ccc(s1)Cl 62a_100000185135_200025704644 [0,2,0,0,0,0|0,1,0]=3 411 B11R1.15 [13CH3]SCC(=O)c1ccc(s1)Cl 62a_200025704644_100000185135 [0,2,0,0,0,0|0,1,0]=3 412 B11R1.44 C=Cc1ccc([nH]1)C(=O)OC 271570a_100011290941_100000687774 [0,2,0,0,0,0|2,0,0]=4 413 B11R1.44 C=Cc1ccc(o1)C(=O)OC 271570a_100011290941_100000148852 [0,2,0,0,0,0|1,1,0]=4 414 B11R1.44 C=Cc1ccc(s1)C(=O)CC 271570a_100011290941_200011203577 [0,2,0,0,0,0|2,0,0]=4 415 B11R1.44 C=Cc1ccc(s1)C(=O)NC 271570a_100011290941_200000155069 [0,2,0,0,0,0|2,0,0]=4 416 B11R1.44 C=Cc1ccc(s1)C(=O)NN 271570a_100011290941_100000180196 [0,2,0,0,0,0|2,0,0]=4 417 B11R1.44 C=Cc1ccc(s1)C(=O)OC 271570a_100011290941_100000148107 [0,2,0,0,0,0|1,0,0]=3 418 B11R1.44 C=Cc1cnc(s1)C(=O)OC 271570a_100011290941_100010191244 [0,2,0,0,0,0|2,0,0]=4 419 B11R1.44 C=Cc1ncc(s1)C(=O)OC 271570a_100011290941_100000738003 [0,2,0,0,0,0|2,0,0]=4 420 B11R1.44 CCC(=O)c1ccc(s1)SC 62a_200000210301_200011203577 [0,2,0,0,0,0|2,0,0]=4 421 B11R1.44 CCC(=O)c1ccc(s1)SC 62a_200011203577_200000210301 [0,2,0,0,0,0|2,0,0]=4 422 B11R1.44 CCC(=O)c1ccc(s1)S[13CH3] 62a_200011203577_200025704644 [0,2,0,0,0,0|2,0,0]=4 423 B11R1.44 CCC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200011203577 [0,2,0,0,0,0|2,0,0]=4 424 B11R1.44 CNC(=O)c1ccc(s1)SC 62a_200000155069_200000210301 [0,2,0,0,0,0|2,0,0]=4 425 B11R1.44 CNC(=O)c1ccc(s1)SC 62a_200000210301_200000155069 [0,2,0,0,0,0|2,0,0]=4 426 B11R1.44 CNC(=O)c1ccc(s1)S[13CH3] 62a_200000155069_200025704644 [0,2,0,0,0,0|2,0,0]=4 427 B11R1.44 CNC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_200000155069 [0,2,0,0,0,0|2,0,0]=4 428 B11R1.44 CNc1ncc(s1)C(=O)OC 27a_100102657272_100000738003 [0,2,0,0,0,0|2,0,0]=4 429 B11R1.44 COC(=O)c1ccc([nH]1)SC 62a_200000210301_100000687774 [0,2,0,0,0,0|2,0,0]=4 430 B11R1.44 COC(=O)c1ccc([nH]1)S[13CH3] 62a_200025704644_100000687774 [0,2,0,0,0,0|2,0,0]=4 431 B11R1.44 COC(=O)c1ccc(o1)SC 62a_200000210301_100000148852 [0,2,0,0,0,0|1,1,0]=4 432 B11R1.44 COC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000148852 [0,2,0,0,0,0|1,1,0]=4 433 B11R1.44 COC(=O)c1ccc(s1)SC 62a_100000148107_200000210301 [0,2,0,0,0,0|1,0,0]=3 434 B11R1.44 COC(=O)c1ccc(s1)SC 62a_200000210301_100000148107 [0,2,0,0,0,0|1,0,0]=3 435 B11R1.44 COC(=O)c1ccc(s1)S[13CH3] 62a_100000148107_200025704644 [0,2,0,0,0,0|1,0,0]=3 436 B11R1.44 COC(=O)c1ccc(s1)S[13CH3] 62a_200025704644_100000148107 [0,2,0,0,0,0|1,0,0]=3 437 B11R1.44 COC(=O)c1cnc(s1)SC 62a_100000738003_200000210301 [0,2,0,0,0,0|2,0,0]=4 438 B11R1.44 COC(=O)c1cnc(s1)SC 62a_200000210301_100000738003 [0,2,0,0,0,0|2,0,0]=4 439 B11R1.44 COC(=O)c1cnc(s1)S[13CH3] 62a_100000738003_200025704644 [0,2,0,0,0,0|2,0,0]=4 440 B11R1.44 COC(=O)c1cnc(s1)S[13CH3] 62a_200025704644_100000738003 [0,2,0,0,0,0|2,0,0]=4 441 B11R1.44 COC(=O)c1ncc(s1)SC 62a_100010191244_200000210301 [0,2,0,0,0,0|2,0,0]=4 442 B11R1.44 COC(=O)c1ncc(s1)SC 62a_200000210301_100010191244 [0,2,0,0,0,0|2,0,0]=4 443 B11R1.44 COC(=O)c1ncc(s1)S[13CH3] 62a_100010191244_200025704644 [0,2,0,0,0,0|2,0,0]=4 444 B11R1.44 COC(=O)c1ncc(s1)S[13CH3] 62a_200025704644_100010191244 [0,2,0,0,0,0|2,0,0]=4 445 B11R1.44 CSc1ccc(s1)C(=O)NN 62a_100000180196_200000210301 [0,2,0,0,0,0|2,0,0]=4 446 B11R1.44 CSc1ccc(s1)C(=O)NN 62a_200000210301_100000180196 [0,2,0,0,0,0|2,0,0]=4 447 B11R1.44 [13CH3]Sc1ccc(s1)C(=O)NN 62a_100000180196_200025704644 [0,2,0,0,0,0|2,0,0]=4 448 B11R1.44 [13CH3]Sc1ccc(s1)C(=O)NN 62a_200025704644_100000180196 [0,2,0,0,0,0|2,0,0]=4 449 B11R1.225 COC(=O)c1oc(cc1C)O 271570a_203496583355_100000737583 [0,2,0,0,0,0|1,1,0]=4 450 B11R1.225 COC(=O)c1sc(cc1F)O 271570a_203496583355_100010734428 [0,2,0,0,0,0|1,0,0]=3 451 B11R1.225 COC(=O)c1sc(cc1N)O 271570a_203496583355_100010255210 [0,2,0,0,0,0|1,0,0]=3 452 B11R1.225 COC(=O)c1sc(cc1O)C 271570a_203496583355_100009817204 [0,2,0,0,0,0|1,0,0]=3 453 B11R1.225 COC(=O)c1sc(nc1C)O 271570a_203496583355_100010220626 [0,2,0,0,0,0|2,0,0]=4 454 B11R1.226 COC(=O)c1cc(c(s1)O)C 271570a_203496583355_100011219469 [0,2,0,0,0,0|1,0,0]=3 455 B11R1.226 COC(=O)c1cc(c(s1)O)N 271570a_203496583355_200010749435 [0,2,0,0,0,0|1,0,0]=3 456 B11R1.865 COC(=O)c1ccc(n1C)O 271570a_203496583355_100010124797 [0,2,0,0,0,0|2,0,0]=4 457 B11R1.48 C=Cc1sc(cc1C)C(=O)C 271570a_100011290941_100000729792 [0,2,0,0,0,0|2,0,0]=4 458 B11R1.48 CC(=O)c1cc(c(s1)S[13CH3])C 62a_100000729792_200025704644 [0,2,0,0,0,0|2,0,0]=4 459 B11R1.48 CC(=O)c1cc(c(s1)S[13CH3])C 62a_200025704644_100000729792 [0,2,0,0,0,0|2,0,0]=4 460 B11R1.48 CSc1sc(cc1C)C(=O)C 62a_100000729792_200000210301 [0,2,0,0,0,0|2,0,0]=4 461 B11R1.48 CSc1sc(cc1C)C(=O)C 62a_200000210301_100000729792 [0,2,0,0,0,0|2,0,0]=4 462 B11R1.124 C=C=Cc1ccc(s1)C(=O)C 271570a_100015277604_100000183331 [0,2,0,0,0,0|2,0,0]=4 463 B11R1.124 C=C=Cc1ccc(s1)C(=O)N 271570a_100015277604_100000162267 [0,2,0,0,0,0|2,0,0]=4 464 B11R1.124 CC(=O)c1ccc(s1)SCF 62a_100000183331_100015361967 [0,2,0,0,0,0|1,1,0]=4 465 B11R1.124 CC(=O)c1ccc(s1)SCF 62a_100015361967_200000034408 [0,2,0,0,0,0|1,1,0]=4 466 B11R1.124 CC=Cc1ccc(s1)C(=O)C 271570a_100016259895_100000183331 [0,2,0,0,0,0|2,0,0]=4 467 B11R1.124 CC=Cc1ccc(s1)C(=O)N 271570a_100016259895_100000162267 [0,2,0,0,0,0|2,0,0]=4 468 B11R1.124 CCSc1ccc(s1)C(=O)C 62a_100000183331_100000210202 [0,2,0,0,0,0|2,0,0]=4 469 B11R1.124 CCSc1ccc(s1)C(=O)C 62a_100000210202_200000034408 [0,2,0,0,0,0|2,0,0]=4 470 B11R1.124 CCSc1ccc(s1)C(=O)N 62a_100000162267_100000210202 [0,2,0,0,0,0|2,0,0]=4 471 B11R1.124 NC(=O)c1ccc(s1)SCF 62a_100000162267_100015361967 [0,2,0,0,0,0|1,1,0]=4 472 B11R1.175 C=C(C)c1ccc(s1)C(=O)C 271570a_100000694244_100000183331 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.175 C=C(C)c1ccc(s1)C(=O)N 271570a_100000694244_100000162267 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.175 CC(=O)c1ccc(s1)C(F)F 1458a_100009925260_200000210301 [0,2,0,0,0,0|1,1,0]=4 475 B11R1.175 [13CH3]C(=O)c1ccc(s1)C(F)F 1458a_100009925260_200025704644 [0,2,0,0,0,0|1,1,0]=4 476 B9R1.69 Cc1ccc(cc1O)Cl 271570a_203496583355_100011263213 [0,0,1,1,0,0|2,0,0]=4 477 B9R1.69 Nc1ccc(cc1O)Cl 271570a_203496583355_100000761889 [0,0,1,1,0,0|2,0,0]=4 478 B9R1.69 Nc1ccc(nc1O)Cl 271570a_203496583355_100010233647 [0,0,1,1,0,0|2,0,0]=4 479 B9R1.69 Oc1cc(ccc1Br)Cl 271570a_203496583355_100012339723 [0,0,1,1,0,0|2,0,0]=4 480 B9R1.69 Oc1cc(ccc1Cl)Cl 271570a_203496583355_100000707729 [0,0,1,1,0,0|2,0,0]=4 481 B9R1.69 Oc1cc(ccc1F)Cl 271570a_203496583355_100011218116 [0,0,1,1,0,0|2,0,0]=4 482 B9R1.69 Oc1ccc(cc1O)Cl 271570a_203496583355_100000050036 [0,0,1,1,0,0|1,1,0]=4 483 B9R1.69 Oc1ccc(cc1O)Cl 271570a_203496583355_100011356953 [0,0,1,1,0,0|1,1,0]=4 484 B9R1.69 Oc1ccc(nc1O)Cl 271570a_203496583355_100000696390 [0,0,1,1,0,0|1,1,0]=4 485 B9R1.69 Oc1nc(ccc1F)Cl 271570a_203496583355_100010136221 [0,0,1,1,0,0|2,0,0]=4 486 B9R1.2 C=Cc1cc(ccn1)Cl 271570a_100011290941_100010167805 [1,0,0,0,0,1|2,0,0]=4 487 B9R1.2 C=Cc1cccc(c1)Cl 271570a_100011290941_100000699651 [1,0,0,0,0,1|2,0,0]=4 488 B9R1.2 C=Cc1ccnc(c1)Cl 271570a_100011290941_100000035001 [1,0,0,0,0,1|2,0,0]=4 489 B9R1.2 C=Cc1cncc(c1)Cl 271570a_100011290941_100000049639 [1,0,0,0,0,1|2,0,0]=4 490 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [1,0,0,0,0,1|2,0,0]=4 491 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [1,0,0,0,0,1|2,0,0]=4 492 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [1,0,0,0,0,1|2,0,0]=4 493 B9R1.2 O=Cc1ccnc(c1)O 271570a_203496583355_100011290808 [1,0,0,0,0,1|2,0,0]=4 494 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [1,0,0,0,0,1|2,0,0]=4 495 B9R1.13 CC(=Cc1cccs1)C 271570a_100102525489_100011215356 [1,0,0,0,0,1|2,0,0]=4 496 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [1,0,0,0,0,1|2,0,0]=4 497 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [1,0,0,0,0,1|1,1,0]=4 498 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [1,0,0,0,0,1|1,0,0]=3 499 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [1,0,0,0,0,1|2,0,0]=4 500 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [1,0,0,0,0,1|2,0,0]=4 501 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [1,0,0,0,0,1|2,0,0]=4 502 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [1,0,0,0,0,1|1,1,0]=4 503 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [1,0,0,0,0,1|1,0,0]=3 504 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [0,0,0,0,0,2|2,0,0]=4 505 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [0,0,0,0,0,2|2,0,0]=4 506 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000070787_100012066911 [0,0,0,0,0,2|2,0,0]=4 507 B11R1.20 CC(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200000210301 [0,0,0,0,0,2|2,0,0]=4 508 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200000210301 [0,0,0,0,0,2|2,0,0]=4 509 B11R1.20 CC(=O)Cc1ccc(nc1)Cl 1458a_100000070787_100000735431 [0,0,0,0,0,2|2,0,0]=4 510 B11R1.20 CC(=O)Cc1ccc(nn1)Cl 1458a_100000070787_100016992710 [0,0,0,0,0,2|2,0,0]=4 511 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 11a_100000210052_100015343762 [0,0,0,0,0,2|2,0,0]=4 512 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100015343762 [0,0,0,0,0,2|2,0,0]=4 513 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000070787 [0,0,0,0,0,2|2,0,0]=4 514 B11R1.20 CC(=O)Nc1ccc(cc1)Cl 527a_100000210052_100103153847 [0,0,0,0,0,2|2,0,0]=4 515 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [0,0,0,0,0,2|2,0,0]=4 516 B11R1.20 [13CH3]C(=O)Cc1ccc(cn1)Cl 1458a_100000728320_200025704644 [0,0,0,0,0,2|2,0,0]=4 517 B11R1.20 [13CH3]C(=O)Cc1ccc(nc1)Cl 1458a_100000061944_200025704644 [0,0,0,0,0,2|2,0,0]=4 518 B11R1.75 CC(=O)C=Cc1ccc(s1)Br 1458a_100102558031_200000210301 [0,0,0,0,0,2|1,1,0]=4 519 B11R1.75 CC(=O)C=Cc1ccc(s1)C 1458a_100102558089_200000210301 [0,0,0,0,0,2|2,0,0]=4 520 B11R1.75 CC(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_200000210301 [0,0,0,0,0,2|1,0,0]=3 521 B11R1.75 CC(=O)NCc1ccc(s1)Br 11a_100000737305_100015343762 [0,0,0,0,0,2|1,1,0]=4 522 B11R1.75 CC(=O)NCc1ccc(s1)Br 1626a_100000737305_100015343762 [0,0,0,0,0,2|1,1,0]=4 523 B11R1.75 CC(=O)NCc1ccc(s1)Br 240690a_100000737305_100015343762 [0,0,0,0,0,2|1,1,0]=4 524 B11R1.75 CC(=O)NCc1ccc(s1)Br 527a_100000737305_100103153847 [0,0,0,0,0,2|1,1,0]=4 525 B11R1.75 CC(=O)NCc1ccc(s1)C 11a_100000238518_100015343762 [0,0,0,0,0,2|2,0,0]=4 526 B11R1.75 CC(=O)NCc1ccc(s1)C 1626a_100000238518_100015343762 [0,0,0,0,0,2|2,0,0]=4 527 B11R1.75 CC(=O)NCc1ccc(s1)C 240690a_100000238518_100015343762 [0,0,0,0,0,2|2,0,0]=4 528 B11R1.75 CC(=O)NCc1ccc(s1)C 527a_100000238518_100103153847 [0,0,0,0,0,2|2,0,0]=4 529 B11R1.75 CC(=O)NCc1ccc(s1)Cl 11a_100000737310_100015343762 [0,0,0,0,0,2|1,0,0]=3 530 B11R1.75 CC(=O)NCc1ccc(s1)Cl 1626a_100000737310_100015343762 [0,0,0,0,0,2|1,0,0]=3 531 B11R1.75 CC(=O)NCc1ccc(s1)Cl 240690a_100000737310_100015343762 [0,0,0,0,0,2|1,0,0]=3 532 B11R1.75 CC(=O)NCc1ccc(s1)Cl 527a_100000737310_100103153847 [0,0,0,0,0,2|1,0,0]=3 533 B11R1.75 CC(=O)NCc1cnc(s1)Cl 11a_100000726635_100015343762 [0,0,0,0,0,2|2,0,0]=4 534 B11R1.75 CC(=O)NCc1cnc(s1)Cl 1626a_100000726635_100015343762 [0,0,0,0,0,2|2,0,0]=4 535 B11R1.75 CC(=O)NCc1cnc(s1)Cl 240690a_100000726635_100015343762 [0,0,0,0,0,2|2,0,0]=4 536 B11R1.75 CC(=O)NCc1cnc(s1)Cl 527a_100000726635_100103153847 [0,0,0,0,0,2|2,0,0]=4 537 B11R1.75 Cc1ccc(s1)C=CC(=O)[13CH3] 1458a_100102558089_200025704644 [0,0,0,0,0,2|2,0,0]=4 538 B11R1.75 Cc1ccc(s1)SCC(=O)N 62a_100000031368_100000747473 [0,0,0,0,0,2|2,0,0]=4 539 B11R1.75 Cc1ccc(s1)SCC(=O)N 62a_100000747473_100000031368 [0,0,0,0,0,2|2,0,0]=4 540 B11R1.75 Cc1ccc(s1)SCC(=O)[O-] 62a_100000031368_100020667443 [0,0,0,0,0,2|1,0,1]=4 541 B11R1.75 Cc1ccc(s1)SCC(=O)[O-] 62a_100020667443_100000031368 [0,0,0,0,0,2|1,0,1]=4 542 B11R1.75 NC(=O)CSc1ccc(s1)Br 62a_100000747473_100010197418 [0,0,0,0,0,2|1,1,0]=4 543 B11R1.75 NC(=O)CSc1ccc(s1)Br 62a_100010197418_100000747473 [0,0,0,0,0,2|1,1,0]=4 544 B11R1.75 O=C([O-])CSc1ccc(s1)Br 62a_100010197418_100020667443 [0,0,0,0,0,2|0,1,1]=4 545 B11R1.75 O=C([O-])CSc1ccc(s1)Br 62a_100020667443_100010197418 [0,0,0,0,0,2|0,1,1]=4 546 B11R1.75 [13CH3]C(=O)C=Cc1ccc(s1)Br 1458a_100102558031_200025704644 [0,0,0,0,0,2|1,1,0]=4 547 B11R1.75 [13CH3]C(=O)C=Cc1ccc(s1)Cl 1458a_100102558157_200025704644 [0,0,0,0,0,2|1,0,0]=3 548 B11R1.157 CC(=O)Cc1cc(ccn1)Cl 1458a_100000070787_100016988179 [0,0,0,0,0,2|2,0,0]=4 549 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [0,0,0,0,0,2|2,0,0]=4 550 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [0,0,0,0,0,2|2,0,0]=4 551 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000070787_100000086093 [0,0,0,0,0,2|2,0,0]=4 552 B11R1.157 CC(=O)Cc1cccc(n1)Cl 1458a_100000090259_200000210301 [0,0,0,0,0,2|2,0,0]=4 553 B11R1.157 CC(=O)Cc1ccnc(c1)Cl 1458a_100000070787_100000764220 [0,0,0,0,0,2|2,0,0]=4 554 B11R1.157 CC(=O)Cc1ccnc(n1)Cl 1458a_100000070787_100000099655 [0,0,0,0,0,2|2,0,0]=4 555 B11R1.157 CC(=O)Cc1cncc(c1)Cl 1458a_100000070787_100016992070 [0,0,0,0,0,2|2,0,0]=4 556 B11R1.157 CC(=O)Nc1cccc(c1)Cl 11a_100000185859_100015343762 [0,0,0,0,0,2|2,0,0]=4 557 B11R1.157 CC(=O)Nc1cccc(c1)Cl 1626a_100000185859_100015343762 [0,0,0,0,0,2|2,0,0]=4 558 B11R1.157 CC(=O)Nc1cccc(c1)Cl 22a_100000185859_100000070787 [0,0,0,0,0,2|2,0,0]=4 559 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [0,0,0,0,0,2|2,0,0]=4 560 B11R1.157 [13CH3]C(=O)Cc1cccc(n1)Cl 1458a_100000090259_200025704644 [0,0,0,0,0,2|2,0,0]=4