0 B10R1.58 CC(=O)c1cc(c(s1)O)C 271570a_203496583355_100000729792 [0,0,0,0,0,0|3,1,0]=4 1 B9R1.23 Cc1cc(sc1O)C=O 271570a_203496583355_100000761930 [1,0,0,0,0,0|2,1,0]=4 2 B9R1.23 Cc1sc(cc1O)C=O 271570a_203496583355_100000708457 [1,0,0,0,0,0|2,1,0]=4 3 B9R1.35 CC(=O)c1cc(cs1)O 271570a_203496583355_100000718618 [1,0,0,0,0,0|2,1,0]=4 4 B9R1.35 CC(=O)c1ccc([nH]1)O 271570a_203496583355_200010494458 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.35 CC(=O)c1ccc(o1)O 271570a_203496583355_100000229899 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.35 CC(=O)c1ccc(s1)O 271570a_203496583355_100000183331 [1,0,0,0,0,0|2,1,0]=4 7 B9R1.35 NC(=O)c1cc(c[nH]1)O 271570a_203496583355_100000229580 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.35 NC(=O)c1cc(co1)O 271570a_203496583355_200009817131 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.35 NC(=O)c1cc(cs1)O 271570a_203496583355_100009812991 [1,0,0,0,0,0|2,1,0]=4 10 B9R1.35 NC(=O)c1ccc(s1)O 271570a_203496583355_100000162267 [1,0,0,0,0,0|2,1,0]=4 11 B11R1.226 COC(=O)c1cc(c(s1)O)C 271570a_203496583355_100011219469 [0,1,0,0,0,0|2,1,0]=4 12 B11R1.226 COC(=O)c1cc(c(s1)O)N 271570a_203496583355_200010749435 [0,1,0,0,0,0|2,1,0]=4 13 B11R1.21 C=C(C)c1ccc(c(c1)Cl)Cl 271570a_100000694244_100011214914 [0,0,0,0,0,1|3,0,0]=4 14 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200000210301 [0,0,0,0,0,1|2,1,0]=4 15 B11R1.21 CC(=O)c1ccc(c(c1)C)Cl 1458a_100000686306_200000210301 [0,0,0,0,0,1|3,0,0]=4 16 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200000210301 [0,0,0,0,0,1|2,1,0]=4 17 B11R1.21 CC(=O)c1ccc(c(c1)Cl)C 1458a_100000751740_200000210301 [0,0,0,0,0,1|3,0,0]=4 18 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200000210301 [0,0,0,0,0,1|2,0,0]=3 19 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200000210301 [0,0,0,0,0,1|2,1,0]=4 20 B11R1.21 CC(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200000210301 [0,0,0,0,0,1|2,1,0]=4 21 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200000210301 [0,0,0,0,0,1|3,0,0]=4 22 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200000210301 [0,0,0,0,0,1|2,1,0]=4 23 B11R1.21 CC(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200000210301 [0,0,0,0,0,1|2,1,0]=4 24 B11R1.21 CC(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200000210301 [0,0,0,0,0,1|3,0,0]=4 25 B11R1.21 Cc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000686306_200025704644 [0,0,0,0,0,1|3,0,0]=4 26 B11R1.21 Cc1ccc(cc1Cl)C(=O)[13CH3] 1458a_100000751740_200025704644 [0,0,0,0,0,1|3,0,0]=4 27 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Br)Cl 1458a_100000691181_200025704644 [0,0,0,0,0,1|2,1,0]=4 28 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Br 1458a_100000687082_200025704644 [0,0,0,0,0,1|2,1,0]=4 29 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_200025704644 [0,0,0,0,0,1|2,0,0]=3 30 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)F 1458a_100000686462_200025704644 [0,0,0,0,0,1|2,1,0]=4 31 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)I 1458a_100000684831_200025704644 [0,0,0,0,0,1|2,1,0]=4 32 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)Cl)O 1458a_100000212196_200025704644 [0,0,0,0,0,1|3,0,0]=4 33 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)F)Cl 1458a_100000743183_200025704644 [0,0,0,0,0,1|2,1,0]=4 34 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)I)Cl 1458a_100000739381_200025704644 [0,0,0,0,0,1|2,1,0]=4 35 B11R1.21 [13CH3]C(=O)c1ccc(c(c1)O)Cl 1458a_100011933997_200025704644 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.74 C=C(C)c1cc(cc(c1)Cl)Cl 271570a_100000694244_100000747138 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.74 CC(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200000210301 [0,0,0,0,0,1|2,1,0]=4 38 B11R1.74 CC(=O)c1cc(cc(c1)Cl)C 1458a_100000684526_200000210301 [0,0,0,0,0,1|3,0,0]=4 39 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200000210301 [0,0,0,0,0,1|2,0,0]=3 40 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200000210301 [0,0,0,0,0,1|2,1,0]=4 41 B11R1.74 CC(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200000210301 [0,0,0,0,0,1|3,0,0]=4 42 B11R1.74 CC(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200000210301 [0,0,0,0,0,1|2,1,0]=4 43 B11R1.74 Cc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000684526_200025704644 [0,0,0,0,0,1|3,0,0]=4 44 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Br)Cl 1458a_100000687899_200025704644 [0,0,0,0,0,1|2,1,0]=4 45 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_200025704644 [0,0,0,0,0,1|2,0,0]=3 46 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)F 1458a_100000685768_200025704644 [0,0,0,0,0,1|2,1,0]=4 47 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)Cl)O 1458a_100011997059_200025704644 [0,0,0,0,0,1|3,0,0]=4 48 B11R1.74 [13CH3]C(=O)c1cc(cc(c1)I)Cl 1458a_100012047205_200025704644 [0,0,0,0,0,1|2,1,0]=4 49 B8R1.1 O=Cc1cc(co1)O 271570a_203496583355_100000747035 [2,0,0,0,0,0|1,0,0]=3 50 B8R1.1 O=Cc1cc(cs1)O 271570a_203496583355_100000211722 [2,0,0,0,0,0|1,1,0]=4 51 B8R1.1 O=Cc1ccc(o1)O 271570a_203496583355_100000185145 [2,0,0,0,0,0|1,0,0]=3 52 B8R1.1 O=Cc1ccc(s1)O 271570a_203496583355_100000179771 [2,0,0,0,0,0|1,1,0]=4 53 B8R1.1 OCc1ccc(o1)O 271570a_203496583355_100000246276 [2,0,0,0,0,0|1,0,1]=4 54 B8R1.7 C=C(C)c1ccco1 271570a_100000694244_100009814098 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.14 CNC(=O)c1ccc(o1)O 271570a_203496583355_100000159859 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.14 COC(=O)c1cc(co1)O 271570a_203496583355_100009992624 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.14 COC(=O)c1cc(cs1)O 271570a_203496583355_100009815473 [1,1,0,0,0,0|1,1,0]=4 58 B10R1.14 COC(=O)c1ccc([nH]1)O 271570a_203496583355_100000687774 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.14 COC(=O)c1ccc(o1)O 271570a_203496583355_100000148852 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.14 COC(=O)c1ccc(s1)O 271570a_203496583355_100000148107 [1,1,0,0,0,0|1,1,0]=4 61 B10R1.14 NNC(=O)c1ccc(o1)O 271570a_203496583355_100000186364 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.31 C=Cc1ccc(o1)C(=O)C 271570a_100011290941_100000229899 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.31 C=Cc1coc(c1)C(=O)N 271570a_100011290941_200009817131 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.31 CC(=O)c1ccc(o1)S[13CH3] 62a_200025704644_100000229899 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.31 CSc1ccc(o1)C(=O)C 62a_200000210301_100000229899 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.31 CSc1coc(c1)C(=O)N 62a_200000210301_200009817131 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.31 CSc1coc(c1)C(=O)N 62a_200009817131_200000210301 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.31 [13CH3]Sc1coc(c1)C(=O)N 62a_200009817131_200025704644 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.31 [13CH3]Sc1coc(c1)C(=O)N 62a_200025704644_200009817131 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.232 CC(=O)c1cc(c(cc1C)Cl)Cl 1458a_100010439669_200000210301 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)Cl 1458a_100011934218_200000210301 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.232 CC(=O)c1cc(c(cc1F)Cl)Cl 1458a_100011217469_200000210301 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.232 Cc1cc(c(cc1C(=O)[13CH3])Cl)Cl 1458a_100010439669_200025704644 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.232 [13CH3]C(=O)c1cc(c(cc1Cl)Cl)Cl 1458a_100011934218_200025704644 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.232 [13CH3]C(=O)c1cc(c(cc1F)Cl)Cl 1458a_100011217469_200025704644 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100000210202 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 11a_106832991635_100000210401 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 1626a_100102657272_100000210401 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 240690a_100102657272_100000210401 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl 527a_100102657272_100000210401 [0,1,0,0,0,1|2,0,0]=4 81 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O 271570a_203496583355_100012356344 [0,1,0,0,0,1|2,0,0]=4 82 B12R1.367 COC(=O)c1ccc(c(c1)O)Cl 271570a_203496583355_100011294800 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.367 COC(=O)c1cnc(c(c1)O)Cl 271570a_203496583355_100010188758 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.367 COC(=O)c1coc(=O)c(c1)O 271570a_203496583355_100009812866 [0,1,0,0,0,1|2,0,0]=4 85 B12R1.367 O=C(CF)c1ccc(c(c1)Cl)Cl 1458a_100000210401_100015361967 [0,1,0,0,0,1|2,0,0]=4 86 B12R1.1005 CC(=O)c1cc(c(c(c1)Br)Cl)Cl 1458a_200012920480_200000210301 [0,1,0,0,0,1|2,0,0]=4 87 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)Cl)Cl 1458a_100012339221_200000210301 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.1005 CC(=O)c1cc(c(c(c1)Cl)Cl)F 1458a_200010244527_200000210301 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Br)Cl)Cl 1458a_200012920480_200025704644 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)Cl)Cl 1458a_100012339221_200025704644 [0,1,0,0,0,1|2,0,0]=4 91 B12R1.1005 [13CH3]C(=O)c1cc(c(c(c1)Cl)Cl)F 1458a_200010244527_200025704644 [0,1,0,0,0,1|2,0,0]=4 92 B12R1.358 CCC(=O)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100000210202 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 11a_106832991635_100000210701 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 1626a_100102657272_100000210701 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 240690a_100102657272_100000210701 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl 527a_100102657272_100000210701 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.358 COC(=O)c1cc(cc(c1)Cl)O 271570a_203496583355_100000695173 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.358 O=C(CF)c1cc(cc(c1)Cl)Cl 1458a_100000210701_100015361967 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.511 CC(=O)c1cc(cc(c1Cl)Cl)Cl 1458a_100011215521_200000210301 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.511 CC(=O)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_200000210301 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.511 [13CH3]C(=O)c1cc(cc(c1Cl)Cl)Cl 1458a_100011215521_200025704644 [0,1,0,0,0,1|2,0,0]=4 102 B12R1.511 [13CH3]C(=O)c1cc(cc(c1O)Cl)Cl 1458a_100000215963_200025704644 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.118 Nc1cc(c(cc1O)Cl)Cl 271570a_203496583355_200011093942 [0,0,1,1,0,0|2,0,0]=4 104 B10R1.118 Oc1cc(c(cc1Cl)Cl)Cl 271570a_203496583355_200011216203 [0,0,1,1,0,0|2,0,0]=4 105 B10R1.8 C=Cc1cc(cc(c1)Cl)Cl 271570a_100011290941_100000747138 [1,0,0,0,0,1|2,0,0]=4 106 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000070787_100000185097 [1,0,0,0,0,1|1,1,0]=4 107 B10R1.54 CC(=O)Cc1ccc(s1)Cl 1458a_100000238644_200000210301 [1,0,0,0,0,1|1,1,0]=4 108 B10R1.54 [13CH3]C(=O)Cc1ccc(s1)Cl 1458a_100000238644_200025704644 [1,0,0,0,0,1|1,1,0]=4 109 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000070787_100000184707 [0,0,0,0,0,2|2,0,0]=4 110 B12R1.19 CC(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200000210301 [0,0,0,0,0,2|2,0,0]=4 111 B12R1.19 CC(=O)Cc1cnc(c(c1)Cl)Cl 1458a_100000070787_100009843750 [0,0,0,0,0,2|2,0,0]=4 112 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 11a_100000184108_100015343762 [0,0,0,0,0,2|2,0,0]=4 113 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 1626a_100000184108_100015343762 [0,0,0,0,0,2|2,0,0]=4 114 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 22a_100000184108_100000070787 [0,0,0,0,0,2|2,0,0]=4 115 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl 527a_100000184108_100103153847 [0,0,0,0,0,2|2,0,0]=4 116 B12R1.19 [13CH3]C(=O)Cc1ccc(c(c1)Cl)Cl 1458a_100000210702_200025704644 [0,0,0,0,0,2|2,0,0]=4 117 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100000070787_100011219208 [0,0,0,0,0,2|2,0,0]=4 118 B12R1.101 CC(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100012340057_200000210301 [0,0,0,0,0,2|2,0,0]=4 119 B12R1.101 CC(=O)Cc1cc(nc(c1)Cl)Cl 1458a_100000070787_100000052781 [0,0,0,0,0,2|2,0,0]=4 120 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)Cl 11a_100000210456_100015343762 [0,0,0,0,0,2|2,0,0]=4 121 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)Cl 1626a_100000210456_100015343762 [0,0,0,0,0,2|2,0,0]=4 122 B12R1.101 CC(=O)Nc1cc(cc(c1)Cl)Cl 22a_100000210456_100000070787 [0,0,0,0,0,2|2,0,0]=4 123 B12R1.101 [13CH3]C(=O)Cc1cc(cc(c1)Cl)Cl 1458a_100012340057_200025704644 [0,0,0,0,0,2|2,0,0]=4