0 B13R2.369 Cc1cc2ccccc2nc1O 271570a_203496583355_100000751756 [0,0,0,0,0,0|2,0,1]=3 1 B13R2.369 Cc1cc2cccnc2nc1O 271570a_203496583355_100009877248 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.369 Cc1cc2ncccc2cc1O 271570a_203496583355_100010137429 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.369 Cc1cc2nccnc2cc1O 271570a_203496583355_100010080479 [0,0,0,0,0,0|4,0,0]=4 4 B13R2.369 Cc1nc2ccccc2nc1O 271570a_203496583355_100000185947 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.369 Cc1nc2nccnc2cc1O 271570a_203496583355_100010212747 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.369 Nc1cc2ccccc2cc1O 271570a_203496583355_100009991566 [0,0,0,0,0,0|2,0,0]=2 7 B13R2.369 Nc1nc2ccccc2cc1O 271570a_203496583355_100010135404 [0,0,0,0,0,0|2,0,0]=2 8 B13R2.369 Nc1nc2ccccc2nc1O 271570a_203496583355_100000009970 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [0,0,0,0,0,0|0,0,0]=0 10 B13R2.369 Oc1cc2ccccc2cc1Br 271570a_203496583355_200010169544 [0,0,0,0,0,0|2,0,0]=2 11 B13R2.369 Oc1cc2ccccc2cc1Cl 271570a_203496583355_100010152806 [0,0,0,0,0,0|2,0,0]=2 12 B13R2.369 Oc1cc2ccccc2cc1O 271570a_203496583355_100009817189 [0,0,0,0,0,0|1,0,1]=2 13 B13R2.369 Oc1cc2ccccc2nc1Cl 271570a_203496583355_100010220712 [0,0,0,0,0,0|2,0,0]=2 14 B13R2.369 Oc1cc2ccccc2nc1F 271570a_203496583355_100011158909 [0,0,0,0,0,0|2,0,0]=2 15 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200000100762 [0,0,0,0,0,0|1,0,1]=2 16 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200009820883 [0,0,0,0,0,0|1,0,1]=2 17 B13R2.369 Oc1cc2cccnc2cc1F 271570a_203496583355_100009854028 [0,0,0,0,0,0|3,0,0]=3 18 B13R2.369 Oc1cc2cccnc2cc1O 271570a_203496583355_200010153759 [0,0,0,0,0,0|2,0,1]=3 19 B13R2.369 Oc1cc2ccncc2cc1F 271570a_203496583355_100011105921 [0,0,0,0,0,0|3,0,0]=3 20 B13R2.369 Oc1cc2cnccc2cc1F 271570a_203496583355_100010244713 [0,0,0,0,0,0|3,0,0]=3 21 B13R2.369 Oc1cc2nccnc2cc1F 271570a_203496583355_100010080477 [0,0,0,0,0,0|4,0,0]=4 22 B13R2.369 Oc1nc2ccccc2cc1Br 271570a_203496583355_100010072790 [0,0,0,0,0,0|2,0,1]=3 23 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [1,0,0,0,0,0|2,0,0]=3 24 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [1,0,0,0,0,0|1,0,0]=2 25 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [1,0,0,0,0,0|1,0,1]=3 26 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [1,0,0,0,0,0|2,0,0]=3 27 B12R2.24 Oc1ccc2cccnc2n1 271570a_203496583355_100009888989 [1,0,0,0,0,0|2,0,1]=4 28 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [1,0,0,0,0,0|2,0,0]=3 29 B12R2.24 Oc1ccc2ccncc2n1 271570a_203496583355_100000020162 [1,0,0,0,0,0|2,0,1]=4 30 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [1,0,0,0,0,0|2,0,0]=3 31 B12R2.24 Oc1ccc2cncnc2c1 271570a_203496583355_100010185614 [1,0,0,0,0,0|3,0,0]=4 32 B12R2.24 Oc1ccc2cnncc2c1 271570a_203496583355_100010198781 [1,0,0,0,0,0|3,0,0]=4 33 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [1,0,0,0,0,0|2,0,0]=3 34 B12R2.24 Oc1ccc2ncccc2n1 271570a_203496583355_100000073381 [1,0,0,0,0,0|2,0,1]=4 35 B12R2.24 Oc1ccc2nccnc2c1 271570a_203496583355_100011219451 [1,0,0,0,0,0|3,0,0]=4 36 B12R2.24 Oc1ccc2ncncc2c1 271570a_203496583355_100009989443 [1,0,0,0,0,0|3,0,0]=4 37 B12R2.24 Oc1ccc2nnccc2c1 271570a_203496583355_100010209549 [1,0,0,0,0,0|3,0,0]=4 38 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [1,0,0,0,0,0|1,0,0]=2 39 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [1,0,0,0,0,0|2,0,0]=3 40 B12R2.24 Oc1cnc2cccnc2c1 271570a_203496583355_100010246316 [1,0,0,0,0,0|2,0,0]=3 41 B12R2.24 Oc1cnc2ncccc2n1 271570a_203496583355_100000084304 [1,0,0,0,0,0|3,0,0]=4 42 B12R2.24 Oc1cnc2nccnc2c1 271570a_203496583355_100000753224 [1,0,0,0,0,0|3,0,0]=4 43 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [1,0,0,0,0,0|2,0,1]=4 44 B14R2.1128 C=Cc1cc2ccccc2cc1Br 271570a_100011290941_200010169544 [0,1,0,0,0,0|3,0,0]=4 45 B14R2.1128 C=Cc1cc2ccccc2cc1Cl 271570a_100011290941_100010152806 [0,1,0,0,0,0|3,0,0]=4 46 B14R2.1128 C=Cc1cc2ccccc2cc1N 271570a_100011290941_100009991566 [0,1,0,0,0,0|3,0,0]=4 47 B14R2.1128 C=Cc1cc2ccccc2cc1O 271570a_100011290941_100009817189 [0,1,0,0,0,0|2,0,0]=3 48 B14R2.1128 C=Cc1cc2ccccc2nc1Cl 271570a_100011290941_100010220712 [0,1,0,0,0,0|3,0,0]=4 49 B14R2.1128 C=Cc1cc2ccccc2nc1F 271570a_100011290941_100011158909 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.1128 C=Cc1cc2ccccc2nc1N 271570a_100011290941_100010135404 [0,1,0,0,0,0|3,0,0]=4 51 B14R2.1128 C=Cc1cc2ccccc2nc1O 271570a_100011290941_200009820883 [0,1,0,0,0,0|2,0,1]=4 52 B14R2.1128 C=Cc1cc2ccccc2oc1=O 271570a_100011290941_200000187772 [0,1,0,0,0,0|1,0,0]=2 53 B14R2.1128 C=Cc1cc2ncccc2cc1O 271570a_100011290941_200010153759 [0,1,0,0,0,0|3,0,0]=4 54 B14R2.1128 C=Cc1nc2ccccc2cc1Br 271570a_100011290941_100010072790 [0,1,0,0,0,0|3,0,0]=4 55 B14R2.1128 C=Cc1nc2ccccc2cc1C 271570a_100011290941_100000751756 [0,1,0,0,0,0|3,0,0]=4 56 B14R2.1128 C=Cc1nc2ccccc2cc1O 271570a_100011290941_200000100762 [0,1,0,0,0,0|2,0,0]=3 57 B14R2.1128 CCc1cc2ccccc2nc1O 271570a_203496583355_100011829826 [0,1,0,0,0,0|2,0,1]=4 58 B14R2.1128 CNc1cc2ccccc2cc1Br 34a_100009991566_200000210301 [0,1,0,0,0,0|3,0,0]=4 59 B14R2.1128 CNc1cc2ccccc2cc1Br 7a_100009991566_200000210301 [0,1,0,0,0,0|3,0,0]=4 60 B14R2.1128 CNc1nc2ccccc2cc1C 27a_100102657272_100000751756 [0,1,0,0,0,0|3,0,0]=4 61 B14R2.1128 COc1cc2ccccc2cc1Br 34a_100009817189_200000210301 [0,1,0,0,0,0|2,0,0]=3 62 B14R2.1128 COc1cc2ccccc2cc1Br 7a_100009817189_200000210301 [0,1,0,0,0,0|2,0,0]=3 63 B14R2.1128 COc1cc2ccccc2cc1C 34a_100000091601_200000210301 [0,1,0,0,0,0|2,0,0]=3 64 B14R2.1128 COc1cc2ccccc2cc1C 7a_100000091601_200000210301 [0,1,0,0,0,0|2,0,0]=3 65 B14R2.1128 COc1cc2ccccc2cc1N 34a_106744474703_200000210301 [0,1,0,0,0,0|2,0,0]=3 66 B14R2.1128 COc1cc2ccccc2cc1N 7a_106744474703_200000210301 [0,1,0,0,0,0|2,0,0]=3 67 B14R2.1128 COc1cc2ccccc2cc1O 271570a_203496583355_100009817100 [0,1,0,0,0,0|1,0,1]=3 68 B14R2.1128 COc1cc2ccccc2nc1C 34a_200000079175_200000210301 [0,1,0,0,0,0|2,0,0]=3 69 B14R2.1128 COc1cc2ccccc2nc1C 7a_200000079175_200000210301 [0,1,0,0,0,0|2,0,0]=3 70 B14R2.1128 COc1cc2ccccc2nc1Cl 34a_200000100762_200000210301 [0,1,0,0,0,0|2,0,0]=3 71 B14R2.1128 COc1cc2ccccc2nc1Cl 7a_200000100762_200000210301 [0,1,0,0,0,0|2,0,0]=3 72 B14R2.1128 COc1cc2ccccc2oc1=O 7a_100000061252_200000210301 [0,1,0,0,0,0|0,0,0]=1 73 B14R2.1128 COc1cc2cccnc2cc1Br 34a_200010153759_200000210301 [0,1,0,0,0,0|3,0,0]=4 74 B14R2.1128 COc1cc2cccnc2cc1Br 7a_200010153759_200000210301 [0,1,0,0,0,0|3,0,0]=4 75 B14R2.1128 COc1cc2cccnc2cc1O 271570a_203496583355_100011093944 [0,1,0,0,0,0|2,0,1]=4 76 B14R2.1128 COc1cc2ccncc2cc1O 271570a_203496583355_100010990640 [0,1,0,0,0,0|2,0,1]=4 77 B14R2.1128 COc1cc2ncccc2cc1O 271570a_203496583355_100020706834 [0,1,0,0,0,0|2,0,1]=4 78 B14R2.1128 COc1nc2ccccc2cc1O 271570a_203496583355_100009820890 [0,1,0,0,0,0|1,0,1]=3 79 B14R2.1128 COc1nc2ccccc2nc1O 271570a_203496583355_100000085300 [0,1,0,0,0,0|2,0,1]=4 80 B14R2.1128 CSc1cc2ccccc2cc1Br 62a_200000210301_200010169544 [0,1,0,0,0,0|2,1,0]=4 81 B14R2.1128 CSc1cc2ccccc2cc1Br 62a_200010169544_200000210301 [0,1,0,0,0,0|2,1,0]=4 82 B14R2.1128 CSc1cc2ccccc2cc1Cl 62a_100010152806_200000210301 [0,1,0,0,0,0|2,1,0]=4 83 B14R2.1128 CSc1cc2ccccc2cc1Cl 62a_200000210301_100010152806 [0,1,0,0,0,0|2,1,0]=4 84 B14R2.1128 CSc1cc2ccccc2cc1N 62a_100009991566_200000210301 [0,1,0,0,0,0|2,1,0]=4 85 B14R2.1128 CSc1cc2ccccc2cc1N 62a_200000210301_100009991566 [0,1,0,0,0,0|2,1,0]=4 86 B14R2.1128 CSc1cc2ccccc2cc1O 62a_200000210301_100009817189 [0,1,0,0,0,0|1,1,0]=3 87 B14R2.1128 CSc1cc2ccccc2nc1Cl 62a_200000210301_100010220712 [0,1,0,0,0,0|2,1,0]=4 88 B14R2.1128 CSc1cc2ccccc2nc1F 62a_100011158909_200000210301 [0,1,0,0,0,0|2,1,0]=4 89 B14R2.1128 CSc1cc2ccccc2nc1F 62a_200000210301_100011158909 [0,1,0,0,0,0|2,1,0]=4 90 B14R2.1128 CSc1cc2ccccc2nc1N 62a_100010135404_200000210301 [0,1,0,0,0,0|2,1,0]=4 91 B14R2.1128 CSc1cc2ccccc2nc1O 62a_200000210301_200009820883 [0,1,0,0,0,0|1,1,1]=4 92 B14R2.1128 CSc1cc2ccccc2oc1=O 62a_200000210301_200000187772 [0,1,0,0,0,0|0,1,0]=2 93 B14R2.1128 CSc1cc2ncccc2cc1O 62a_200000210301_200010153759 [0,1,0,0,0,0|2,1,0]=4 94 B14R2.1128 CSc1nc2ccccc2cc1Br 62a_100010072790_200000210301 [0,1,0,0,0,0|2,1,0]=4 95 B14R2.1128 CSc1nc2ccccc2cc1Br 62a_200000210301_100010072790 [0,1,0,0,0,0|2,1,0]=4 96 B14R2.1128 CSc1nc2ccccc2cc1C 62a_200000210301_100000751756 [0,1,0,0,0,0|2,1,0]=4 97 B14R2.1128 CSc1nc2ccccc2cc1O 62a_200000210301_200000100762 [0,1,0,0,0,0|1,1,0]=3 98 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 34a_100000091601_200025704644 [0,1,0,0,0,0|2,0,0]=3 99 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 7a_100000091601_200025704644 [0,1,0,0,0,0|2,0,0]=3 100 B14R2.1128 Cc1cc2ccccc2nc1S[13CH3] 62a_200025704644_100000751756 [0,1,0,0,0,0|2,1,0]=4 101 B14R2.1128 Cc1nc2ccccc2cc1O[13CH3] 34a_200000079175_200025704644 [0,1,0,0,0,0|2,0,0]=3 102 B14R2.1128 Cc1nc2ccccc2cc1O[13CH3] 7a_200000079175_200025704644 [0,1,0,0,0,0|2,0,0]=3 103 B14R2.1128 N#Cc1cc2ccccc2nc1O 271570a_203496583355_100015207123 [0,1,0,0,0,0|2,0,1]=4 104 B14R2.1128 O=Cc1cc2ccccc2nc1O 271570a_203496583355_100000183649 [0,1,0,0,0,0|2,0,0]=3 105 B14R2.1128 OCc1cc2ccccc2nc1O 271570a_203496583355_100000754719 [0,1,0,0,0,0|1,0,1]=3 106 B14R2.1128 [13CH3]Nc1cc2ccccc2cc1Br 34a_100009991566_200025704644 [0,1,0,0,0,0|3,0,0]=4 107 B14R2.1128 [13CH3]Nc1cc2ccccc2cc1Br 7a_100009991566_200025704644 [0,1,0,0,0,0|3,0,0]=4 108 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 34a_100009817189_200025704644 [0,1,0,0,0,0|2,0,0]=3 109 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 7a_100009817189_200025704644 [0,1,0,0,0,0|2,0,0]=3 110 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 34a_106744474703_200025704644 [0,1,0,0,0,0|2,0,0]=3 111 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 7a_106744474703_200025704644 [0,1,0,0,0,0|2,0,0]=3 112 B14R2.1128 [13CH3]Oc1cc2ccccc2nc1Cl 34a_200000100762_200025704644 [0,1,0,0,0,0|2,0,0]=3 113 B14R2.1128 [13CH3]Oc1cc2ccccc2nc1Cl 7a_200000100762_200025704644 [0,1,0,0,0,0|2,0,0]=3 114 B14R2.1128 [13CH3]Oc1cc2ccccc2oc1=O 7a_100000061252_200025704644 [0,1,0,0,0,0|0,0,0]=1 115 B14R2.1128 [13CH3]Oc1cc2cccnc2cc1Br 34a_200010153759_200025704644 [0,1,0,0,0,0|3,0,0]=4 116 B14R2.1128 [13CH3]Oc1cc2cccnc2cc1Br 7a_200010153759_200025704644 [0,1,0,0,0,0|3,0,0]=4 117 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Br 62a_200010169544_200025704644 [0,1,0,0,0,0|2,1,0]=4 118 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Br 62a_200025704644_200010169544 [0,1,0,0,0,0|2,1,0]=4 119 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Cl 62a_100010152806_200025704644 [0,1,0,0,0,0|2,1,0]=4 120 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Cl 62a_200025704644_100010152806 [0,1,0,0,0,0|2,1,0]=4 121 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1N 62a_100009991566_200025704644 [0,1,0,0,0,0|2,1,0]=4 122 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1N 62a_200025704644_100009991566 [0,1,0,0,0,0|2,1,0]=4 123 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1O 62a_200025704644_100009817189 [0,1,0,0,0,0|1,1,0]=3 124 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1Cl 62a_200025704644_100010220712 [0,1,0,0,0,0|2,1,0]=4 125 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1F 62a_100011158909_200025704644 [0,1,0,0,0,0|2,1,0]=4 126 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1F 62a_200025704644_100011158909 [0,1,0,0,0,0|2,1,0]=4 127 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1N 62a_100010135404_200025704644 [0,1,0,0,0,0|2,1,0]=4 128 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1O 62a_200025704644_200009820883 [0,1,0,0,0,0|1,1,1]=4 129 B14R2.1128 [13CH3]Sc1cc2ccccc2oc1=O 62a_200025704644_200000187772 [0,1,0,0,0,0|0,1,0]=2 130 B14R2.1128 [13CH3]Sc1cc2ncccc2cc1O 62a_200025704644_200010153759 [0,1,0,0,0,0|2,1,0]=4 131 B14R2.1128 [13CH3]Sc1nc2ccccc2cc1Br 62a_100010072790_200025704644 [0,1,0,0,0,0|2,1,0]=4 132 B14R2.1128 [13CH3]Sc1nc2ccccc2cc1Br 62a_200025704644_100010072790 [0,1,0,0,0,0|2,1,0]=4 133 B14R2.1128 [13CH3]Sc1nc2ccccc2cc1O 62a_200025704644_200000100762 [0,1,0,0,0,0|1,1,0]=3 134 B14R2.8188 Cc1c(c(nc2c1cccc2)O)O 271570a_203496583355_100009820873 [0,1,0,0,0,0|1,0,1]=3 135 B14R2.8188 Oc1c(cc2ncccc2c1F)F 271570a_203496583355_100010163946 [0,1,0,0,0,0|3,0,0]=4 136 B14R2.8239 CN1Cc2cc(ccc2OC1=O)O 271570a_203496583355_100015193643 [0,1,0,0,0,0|2,0,1]=4 137 B14R2.8239 Cc1cc2cc(ccc2nc1N)O 271570a_203496583355_100011830096 [0,1,0,0,0,0|3,0,0]=4 138 B14R2.8239 Nc1cnc2cc(c(cc2c1)O)F 271570a_203496583355_100021278121 [0,1,0,0,0,0|3,0,0]=4 139 B14R2.8239 O=c1[nH]c2ccc(cc2[nH]c1=O)O 271570a_203496583355_100011221361 [0,1,0,0,0,0|2,0,1]=4 140 B14R2.8239 Oc1ccc2cc(c(cc2c1)O)O 271570a_203496583355_100010179872 [0,1,0,0,0,0|1,0,1]=3 141 B14R2.8239 Oc1ccc2cc(c(nc2c1)Cl)Br 271570a_203496583355_100135414633 [0,1,0,0,0,0|3,0,0]=4 142 B14R2.28472 Oc1nc2c(cccc2cc1F)O 271570a_203496583355_100010140959 [0,1,0,0,0,0|2,0,1]=4 143 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,0,1,0,0,0|2,0,0]=3 144 B12R1.43 C/C(=C\c1ccccn1)/C(=O)[13CH3] 1458a_100025712827_200025704644 [0,0,1,0,0,0|3,0,0]=4 145 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 11a_100000106764_100009813364 [0,0,1,0,0,0|2,0,0]=3 146 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 1626a_100000106764_100009813364 [0,0,1,0,0,0|2,0,0]=3 147 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,0,1,0,0,0|2,0,0]=3 148 B12R1.43 C=C(C)C(=O)Cc1ccccn1 1458a_100000185857_100000721315 [0,0,1,0,0,0|3,0,0]=4 149 B12R1.43 C=C(C)C(=O)Cc1cccnc1 1458a_100000185857_100000733263 [0,0,1,0,0,0|3,0,0]=4 150 B12R1.43 C=C(C)C(=O)Cc1ccncc1 1458a_100000185857_100000705612 [0,0,1,0,0,0|3,0,0]=4 151 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [0,0,1,0,0,0|2,0,0]=3 152 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [0,0,1,0,0,0|2,0,0]=3 153 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [0,0,1,0,0,0|2,0,0]=3 154 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 11a_100000106764_100000039160 [0,0,1,0,0,0|2,0,0]=3 155 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 1626a_100000106764_100000039160 [0,0,1,0,0,0|2,0,0]=3 156 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 22a_100000106764_100000039160 [0,0,1,0,0,0|2,0,0]=3 157 B12R1.43 C=C(F)C(=O)Nc1ccccc1 11a_100000106764_100000036797 [0,0,1,0,0,0|2,0,0]=3 158 B12R1.43 C=C(F)C(=O)Nc1ccccc1 1626a_100000106764_100000036797 [0,0,1,0,0,0|2,0,0]=3 159 B12R1.43 C=C(F)C(=O)Nc1ccccc1 22a_100000106764_100000036797 [0,0,1,0,0,0|2,0,0]=3 160 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,0,1,0,0,0|2,0,0]=3 161 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,0,1,0,0,0|2,0,0]=3 162 B12R1.43 CC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_200000210301 [0,0,1,0,0,0|3,0,0]=4 163 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,0,1,0,0,0|2,0,0]=3 164 B12R1.43 CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_200000210301 [0,0,1,0,0,0|3,0,0]=4 165 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,0,1,0,0,0|1,0,2]=4 166 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,0,1,0,0,0|1,0,2]=4 167 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [0,0,1,0,0,0|1,0,2]=4 168 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,0,1,0,0,0|1,0,2]=4 169 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [0,0,1,0,0,0|1,0,2]=4 170 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,0,1,0,0,0|1,0,2]=4 171 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,0,1,0,0,0|1,0,2]=4 172 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,0,1,0,0,0|2,0,1]=4 173 B12R1.43 O=C(Cc1ccccc1)C(O)O 1458a_100000233687_100015291786 [0,0,1,0,0,0|2,0,1]=4 174 B12R1.43 O=C(Nc1ccccc1)C(O)O 22a_100000106764_100000233687 [0,0,1,0,0,0|2,0,1]=4 175 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,0,1,0,0,0|2,0,0]=3 176 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,0,1,0,0,0|2,0,0]=3 177 B12R1.43 [13CH3]C(=O)C(=Cc1cccnc1)F 1458a_100000731744_200025704644 [0,0,1,0,0,0|3,0,0]=4 178 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,0,1,0,0,0|1,0,2]=4 179 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,0,1,0,0,0|1,0,2]=4 180 B12R1.169 C/C=C/c1ccccc1OCC 34a_200000189419_100000210202 [0,0,1,0,0,0|2,0,1]=4 181 B12R1.169 C/C=C/c1ccccc1OCC 7a_200000189419_100000210202 [0,0,1,0,0,0|2,0,1]=4 182 B12R1.169 C/C=C/c1ccccc1OCF 34a_200000189419_100015361967 [0,0,1,0,0,0|2,0,1]=4 183 B12R1.169 C/C=C/c1ccccc1OCF 7a_200000189419_100015361967 [0,0,1,0,0,0|2,0,1]=4 184 B12R1.169 C=CCc1ccccc1C=CC 271570a_100016259895_100009828059 [0,0,1,0,0,0|3,0,0]=4 185 B12R1.169 CC=Cc1ccccc1OCC 271570a_100016259895_100000230754 [0,0,1,0,0,0|2,0,1]=4 186 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [0,0,1,0,0,0|3,0,0]=4 187 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [0,0,1,0,0,0|2,0,1]=4 188 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [0,0,1,0,0,0|3,0,0]=4 189 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [0,0,1,0,0,0|3,0,0]=4 190 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [0,0,1,0,0,0|3,0,0]=4 191 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,0,1,0,0,0|3,0,0]=4 192 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,0,1,0,0,0|2,0,1]=4 193 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,0,1,0,0,0|2,0,1]=4 194 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,0,1,0,0,0|3,0,0]=4 195 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,0,1,0,0,0|3,0,0]=4 196 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,0,1,0,0,0|3,0,0]=4 197 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,0,1,0,0,0|3,0,0]=4 198 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,0,1,0,0,0|3,0,0]=4 199 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,0,1,0,0,0|2,0,1]=4 200 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [0,0,1,0,0,0|1,0,2]=4 201 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,0,1,0,0,0|1,0,2]=4 202 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,0,1,0,0,0|1,0,2]=4 203 B12R1.371 O=C(CO)Cc1ccccc1Br 1458a_100000210174_100000184730 [0,0,1,0,0,0|2,0,1]=4 204 B12R1.371 O=C(CO)Cc1ccccc1Cl 1458a_100000210174_100000187162 [0,0,1,0,0,0|2,0,1]=4 205 B12R1.371 O=C(CO)Cc1ccccc1F 1458a_100000210174_100000187165 [0,0,1,0,0,0|2,0,1]=4 206 B12R1.371 O=C(CO)Cc1ccccc1I 1458a_100000210174_100011216222 [0,0,1,0,0,0|2,0,1]=4 207 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,0,1,0,0,0|2,0,1]=4 208 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,0,1,0,0,0|2,0,1]=4 209 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,0,1,0,0,0|2,0,1]=4 210 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,0,1,0,0,0|2,0,1]=4 211 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,0,1,0,0,0|2,0,1]=4 212 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,0,1,0,0,0|2,0,1]=4 213 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)O 62a_100000210623_100009814561 [0,0,1,0,0,0|2,0,1]=4 214 B12R1.448 C=Cc1cc(c(cc1C=O)O)C 271570a_100011290941_100010186689 [0,0,1,0,0,0|3,0,0]=4 215 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,0,0,0,1,0|2,0,0]=3 216 B12R2.18 Cc1nc2ccccn2c1O 271570a_203496583355_100009816614 [0,0,0,0,1,0|3,0,0]=4 217 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,0,0,0,1,0|1,0,0]=2 218 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,0,0,0,1,0|1,1,0]=3 219 B12R2.18 Cn1c(nc2c1cccc2)O 271570a_203496583355_200000239431 [0,0,0,0,1,0|3,0,0]=4 220 B12R2.18 Cn1nc2ccccc2c1O 271570a_203496583355_100010163699 [0,0,0,0,1,0|3,0,0]=4 221 B12R2.100 Cc1cc2[nH]ccc2cc1O 271570a_203496583355_100010199648 [0,0,0,0,1,0|3,0,0]=4 222 B12R2.100 Cc1cc2cc[nH]c2cc1O 271570a_203496583355_100010199660 [0,0,0,0,1,0|3,0,0]=4 223 B12R2.100 Cc1cc2ccsc2cc1O 271570a_203496583355_100010762285 [0,0,0,0,1,0|3,0,0]=4 224 B12R2.100 Cc1nc2[nH]ccc2cc1O 271570a_203496583355_100010212563 [0,0,0,0,1,0|3,0,0]=4 225 B12R2.100 Nc1cc2[nH]ccc2cc1O 271570a_203496583355_100010212544 [0,0,0,0,1,0|3,0,0]=4 226 B12R2.100 Nc1nc2[nH]ccc2cc1O 271570a_203496583355_100010168486 [0,0,0,0,1,0|3,0,0]=4 227 B12R2.100 Oc1cc2[nH]ccc2cc1Br 271570a_203496583355_100000703010 [0,0,0,0,1,0|3,0,0]=4 228 B12R2.100 Oc1cc2[nH]ccc2cc1F 271570a_203496583355_100009817181 [0,0,0,0,1,0|3,0,0]=4 229 B12R2.100 Oc1cc2cc[nH]c2cc1F 271570a_203496583355_100000731065 [0,0,0,0,1,0|3,0,0]=4 230 B12R2.100 Oc1cc2cc[nH]c2nc1F 271570a_203496583355_100010202306 [0,0,0,0,1,0|3,0,0]=4 231 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [1,0,1,0,0,0|1,0,0]=3 232 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [1,0,1,0,0,0|2,0,0]=4 233 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [1,0,1,0,0,0|2,0,0]=4 234 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [1,0,1,0,0,0|2,0,0]=4 235 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [1,0,1,0,0,0|1,0,0]=3 236 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [1,0,1,0,0,0|1,0,0]=3 237 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [1,0,1,0,0,0|1,0,1]=4 238 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [1,0,1,0,0,0|1,0,1]=4 239 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [1,0,1,0,0,0|1,0,1]=4 240 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [1,0,1,0,0,0|1,0,1]=4 241 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [1,0,1,0,0,0|1,0,1]=4 242 B11R1.91 C=C(F)COc1ccccc1 34a_100000210340_100009893438 [1,0,1,0,0,0|1,0,1]=4 243 B11R1.91 C=C(F)COc1ccccc1 7a_100000210340_100000042424 [1,0,1,0,0,0|1,0,1]=4 244 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,1,0,0,0|1,0,0]=3 245 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [1,0,1,0,0,0|2,0,0]=4 246 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [1,0,1,0,0,0|2,0,0]=4 247 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [1,0,1,0,0,0|2,0,0]=4 248 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [1,0,1,0,0,0|1,0,1]=4 249 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,1,0,0,0|1,0,0]=3 250 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [1,0,1,0,0,0|2,0,0]=4 251 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [1,0,1,0,0,0|2,0,0]=4 252 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [1,0,1,0,0,0|2,0,0]=4 253 B11R1.41 C/C=C/c1ccccc1OC 34a_200000189419_200000210301 [1,0,1,0,0,0|1,0,1]=4 254 B11R1.41 C/C=C/c1ccccc1OC 7a_200000189419_200000210301 [1,0,1,0,0,0|1,0,1]=4 255 B11R1.41 C/C=C/c1ccccc1O[13CH3] 34a_200000189419_200025704644 [1,0,1,0,0,0|1,0,1]=4 256 B11R1.41 C/C=C/c1ccccc1O[13CH3] 7a_200000189419_200025704644 [1,0,1,0,0,0|1,0,1]=4 257 B11R1.41 C=C=Cc1ccccc1C=O 271570a_100015277604_100000211189 [1,0,1,0,0,0|1,0,1]=4 258 B11R1.41 C=CCc1ccccc1C=C 271570a_100011290941_100009828059 [1,0,1,0,0,0|2,0,0]=4 259 B11R1.41 C=Cc1ccccc1OCC 271570a_100011290941_100000230754 [1,0,1,0,0,0|1,0,1]=4 260 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [1,0,1,0,0,0|1,0,0]=3 261 B11R1.41 CC=Cc1ccccc1OC 271570a_100016259895_100000174000 [1,0,1,0,0,0|1,0,1]=4 262 B11R1.41 CC=Cc1cccnc1C=O 271570a_100016259895_100011934733 [1,0,1,0,0,0|2,0,0]=4 263 B11R1.41 CC=Cc1ccncc1C=O 271570a_100016259895_100000050567 [1,0,1,0,0,0|2,0,0]=4 264 B11R1.41 CC=Cc1cnccc1C=O 271570a_100016259895_100011934409 [1,0,1,0,0,0|2,0,0]=4 265 B11R1.41 CC=Cc1ncccc1C=O 271570a_100016259895_100009816751 [1,0,1,0,0,0|2,0,0]=4 266 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [1,0,1,0,0,0|0,0,2]=4 267 B11R1.17 O=CCNc1ccccc1O 34a_100000185747_200009817547 [1,0,1,0,0,0|1,0,1]=4 268 B11R1.17 O=CCSc1ccccc1O 62a_100000739446_200015260668 [1,0,1,0,0,0|1,0,1]=4 269 B11R1.17 O=CCSc1ccccc1O 62a_200015260668_100000739446 [1,0,1,0,0,0|1,0,1]=4 270 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [1,0,1,0,0,0|1,0,1]=4 271 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [1,0,1,0,0,0|1,0,1]=4 272 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [1,0,1,0,0,0|1,0,1]=4 273 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [1,0,1,0,0,0|2,0,0]=4 274 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [1,0,1,0,0,0|2,0,0]=4 275 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [1,0,1,0,0,0|2,0,0]=4 276 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [1,0,1,0,0,0|1,0,1]=4 277 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [1,0,1,0,0,0|1,0,1]=4 278 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [1,0,1,0,0,0|2,0,0]=4 279 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [1,0,1,0,0,0|1,0,1]=4 280 B11R1.192 C=C=Cc1c[nH]c(=O)c(c1)O 271570a_100015277604_100009814561 [1,0,1,0,0,0|1,0,1]=4 281 B11R1.192 CC=Cc1c[nH]c(=O)c(c1)O 271570a_100016259895_100009814561 [1,0,1,0,0,0|1,0,1]=4 282 B11R1.37 C=Cc1cc(ccc1C=O)O 271570a_100011290941_100011236494 [1,0,1,0,0,0|2,0,0]=4 283 B11R1.37 C=Cc1ccc(cc1C=O)O 271570a_100011290941_100000690577 [1,0,1,0,0,0|2,0,0]=4 284 B13R1.133 C/C(=C\c1ccc(cc1)F)/C(=O)[13CH3] 1458a_100053117043_200025704644 [0,1,1,0,0,0|2,0,0]=4 285 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100009813364 [0,1,1,0,0,0|2,0,0]=4 286 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100009813364 [0,1,1,0,0,0|2,0,0]=4 287 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)C 11a_100000124888_100009813364 [0,1,1,0,0,0|2,0,0]=4 288 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100009813364 [0,1,1,0,0,0|2,0,0]=4 289 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100009813364 [0,1,1,0,0,0|2,0,0]=4 290 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100009813364 [0,1,1,0,0,0|2,0,0]=4 291 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)F 11a_100000185862_100009813364 [0,1,1,0,0,0|2,0,0]=4 292 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100009813364 [0,1,1,0,0,0|2,0,0]=4 293 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)I 11a_100000185761_100009813364 [0,1,1,0,0,0|2,0,0]=4 294 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100009813364 [0,1,1,0,0,0|2,0,0]=4 295 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)Br 1458a_100000185857_100000189115 [0,1,1,0,0,0|2,0,0]=4 296 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)C 1458a_100000185857_100000210814 [0,1,1,0,0,0|2,0,0]=4 297 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)Cl 1458a_100000185857_100000694040 [0,1,1,0,0,0|2,0,0]=4 298 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)F 1458a_100000185857_100000198546 [0,1,1,0,0,0|2,0,0]=4 299 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)I 1458a_100000185857_100000189116 [0,1,1,0,0,0|2,0,0]=4 300 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000185857 [0,1,1,0,0,0|2,0,0]=4 301 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185857 [0,1,1,0,0,0|2,0,0]=4 302 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185857 [0,1,1,0,0,0|2,0,0]=4 303 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000185857 [0,1,1,0,0,0|2,0,0]=4 304 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185857 [0,1,1,0,0,0|2,0,0]=4 305 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 22a_100000124888_100000185857 [0,1,1,0,0,0|2,0,0]=4 306 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000185857 [0,1,1,0,0,0|2,0,0]=4 307 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185857 [0,1,1,0,0,0|2,0,0]=4 308 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185857 [0,1,1,0,0,0|2,0,0]=4 309 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000185857 [0,1,1,0,0,0|2,0,0]=4 310 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185857 [0,1,1,0,0,0|2,0,0]=4 311 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000185857 [0,1,1,0,0,0|2,0,0]=4 312 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000185857 [0,1,1,0,0,0|2,0,0]=4 313 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185857 [0,1,1,0,0,0|2,0,0]=4 314 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000185857 [0,1,1,0,0,0|2,0,0]=4 315 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000185857 [0,1,1,0,0,0|2,0,0]=4 316 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000039160 [0,1,1,0,0,0|2,0,0]=4 317 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000039160 [0,1,1,0,0,0|2,0,0]=4 318 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000039160 [0,1,1,0,0,0|2,0,0]=4 319 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000039160 [0,1,1,0,0,0|2,0,0]=4 320 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000039160 [0,1,1,0,0,0|2,0,0]=4 321 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)C 22a_100000124888_100000039160 [0,1,1,0,0,0|2,0,0]=4 322 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000039160 [0,1,1,0,0,0|2,0,0]=4 323 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000039160 [0,1,1,0,0,0|2,0,0]=4 324 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000039160 [0,1,1,0,0,0|2,0,0]=4 325 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000039160 [0,1,1,0,0,0|2,0,0]=4 326 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000039160 [0,1,1,0,0,0|2,0,0]=4 327 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000039160 [0,1,1,0,0,0|2,0,0]=4 328 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000039160 [0,1,1,0,0,0|2,0,0]=4 329 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000039160 [0,1,1,0,0,0|2,0,0]=4 330 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000039160 [0,1,1,0,0,0|2,0,0]=4 331 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000039160 [0,1,1,0,0,0|2,0,0]=4 332 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000036797 [0,1,1,0,0,0|2,0,0]=4 333 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000036797 [0,1,1,0,0,0|2,0,0]=4 334 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000036797 [0,1,1,0,0,0|2,0,0]=4 335 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000036797 [0,1,1,0,0,0|2,0,0]=4 336 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000036797 [0,1,1,0,0,0|2,0,0]=4 337 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)C 22a_100000124888_100000036797 [0,1,1,0,0,0|2,0,0]=4 338 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000036797 [0,1,1,0,0,0|2,0,0]=4 339 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000036797 [0,1,1,0,0,0|2,0,0]=4 340 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000036797 [0,1,1,0,0,0|2,0,0]=4 341 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000036797 [0,1,1,0,0,0|2,0,0]=4 342 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000036797 [0,1,1,0,0,0|2,0,0]=4 343 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000036797 [0,1,1,0,0,0|2,0,0]=4 344 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000036797 [0,1,1,0,0,0|2,0,0]=4 345 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000036797 [0,1,1,0,0,0|2,0,0]=4 346 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000036797 [0,1,1,0,0,0|2,0,0]=4 347 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000036797 [0,1,1,0,0,0|2,0,0]=4 348 B13R1.133 CC(=O)/C(=C/c1ccc(cc1)F)/C 1458a_100053117043_200000210301 [0,1,1,0,0,0|2,0,0]=4 349 B13R1.135 C/C(=C\c1ccccc1)/C(=O)CF 1458a_100016990649_100015361967 [0,1,1,0,0,0|2,0,0]=4 350 B13R1.135 C/C=C(\C)/C(=O)Cc1ccccc1 1458a_100020587367_100015291786 [0,1,1,0,0,0|2,0,0]=4 351 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 11a_100000106764_100020587367 [0,1,1,0,0,0|2,0,0]=4 352 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 1626a_100000106764_100020587367 [0,1,1,0,0,0|2,0,0]=4 353 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 22a_100000106764_100020587367 [0,1,1,0,0,0|2,0,0]=4 354 B13R1.135 C=C(CO)C(=O)Nc1ccccc1 22a_100000106764_200000705526 [0,1,1,0,0,0|1,0,0]=3 355 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210202 [0,1,1,0,0,0|2,0,0]=4 356 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210202 [0,1,1,0,0,0|2,0,0]=4 357 B13R1.135 CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210202 [0,1,1,0,0,0|2,0,0]=4 358 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 11a_106832991635_100016990649 [0,1,1,0,0,0|2,0,0]=4 359 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 1626a_100102657272_100016990649 [0,1,1,0,0,0|2,0,0]=4 360 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 527a_100102657272_100016990649 [0,1,1,0,0,0|2,0,0]=4 361 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 11a_106832991635_200020598536 [0,1,1,0,0,0|2,0,0]=4 362 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100102657272_200020598536 [0,1,1,0,0,0|2,0,0]=4 363 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100102657272_200020598536 [0,1,1,0,0,0|2,0,0]=4 364 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100102657272_200020598536 [0,1,1,0,0,0|2,0,0]=4 365 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 11a_106832991635_100020889036 [0,1,1,0,0,0|2,0,0]=4 366 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 527a_100102657272_100020889036 [0,1,1,0,0,0|2,0,0]=4 367 B13R1.135 COC(=O)C(=O)Nc1ccccc1 11a_100000106764_100000024059 [0,1,1,0,0,0|1,0,1]=4 368 B13R1.135 COC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100000024059 [0,1,1,0,0,0|1,0,1]=4 369 B13R1.135 COC(=O)C(=O)Nc1ccccc1 527a_100000106764_100000024059 [0,1,1,0,0,0|1,0,1]=4 370 B13R1.135 O=C(CF)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100015361967 [0,1,1,0,0,0|2,0,0]=4 371 B13R1.135 O=C(CF)/C(=C\c1ccccc1)/F 1458a_100020889036_100015361967 [0,1,1,0,0,0|2,0,0]=4 372 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Br 11a_100000210019_100009813364 [0,1,1,0,0,0|2,0,0]=4 373 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100009813364 [0,1,1,0,0,0|2,0,0]=4 374 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)C 11a_100000188690_100009813364 [0,1,1,0,0,0|2,0,0]=4 375 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)C 1626a_100000188690_100009813364 [0,1,1,0,0,0|2,0,0]=4 376 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100009813364 [0,1,1,0,0,0|2,0,0]=4 377 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100009813364 [0,1,1,0,0,0|2,0,0]=4 378 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)F 11a_100000210047_100009813364 [0,1,1,0,0,0|2,0,0]=4 379 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)F 1626a_100000210047_100009813364 [0,1,1,0,0,0|2,0,0]=4 380 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)I 11a_100000211102_100009813364 [0,1,1,0,0,0|2,0,0]=4 381 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)I 1626a_100000211102_100009813364 [0,1,1,0,0,0|2,0,0]=4 382 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)O 1626a_100000210217_100009813364 [0,1,1,0,0,0|2,0,0]=4 383 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)Br 1458a_100000185857_100000211773 [0,1,1,0,0,0|2,0,0]=4 384 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)C 1458a_100000185857_100000211840 [0,1,1,0,0,0|2,0,0]=4 385 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)Cl 1458a_100000185857_100000181238 [0,1,1,0,0,0|2,0,0]=4 386 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)F 1458a_100000185857_100000230114 [0,1,1,0,0,0|2,0,0]=4 387 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)I 1458a_100000185857_100011218688 [0,1,1,0,0,0|2,0,0]=4 388 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)O 1458a_100000185857_100011660834 [0,1,1,0,0,0|2,0,0]=4 389 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000185857 [0,1,1,0,0,0|2,0,0]=4 390 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185857 [0,1,1,0,0,0|2,0,0]=4 391 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000185857 [0,1,1,0,0,0|2,0,0]=4 392 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 11a_100000188690_100000185857 [0,1,1,0,0,0|2,0,0]=4 393 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 1626a_100000188690_100000185857 [0,1,1,0,0,0|2,0,0]=4 394 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 22a_100000188690_100000185857 [0,1,1,0,0,0|2,0,0]=4 395 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000185857 [0,1,1,0,0,0|2,0,0]=4 396 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185857 [0,1,1,0,0,0|2,0,0]=4 397 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185857 [0,1,1,0,0,0|2,0,0]=4 398 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 11a_100000210047_100000185857 [0,1,1,0,0,0|2,0,0]=4 399 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000185857 [0,1,1,0,0,0|2,0,0]=4 400 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 22a_100000210047_100000185857 [0,1,1,0,0,0|2,0,0]=4 401 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I 11a_100000211102_100000185857 [0,1,1,0,0,0|2,0,0]=4 402 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000185857 [0,1,1,0,0,0|2,0,0]=4 403 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I 22a_100000211102_100000185857 [0,1,1,0,0,0|2,0,0]=4 404 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000185857 [0,1,1,0,0,0|2,0,0]=4 405 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)O 22a_100000210217_100000185857 [0,1,1,0,0,0|2,0,0]=4 406 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000039160 [0,1,1,0,0,0|2,0,0]=4 407 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000039160 [0,1,1,0,0,0|2,0,0]=4 408 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000039160 [0,1,1,0,0,0|2,0,0]=4 409 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)C 11a_100000188690_100000039160 [0,1,1,0,0,0|2,0,0]=4 410 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)C 1626a_100000188690_100000039160 [0,1,1,0,0,0|2,0,0]=4 411 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)C 22a_100000188690_100000039160 [0,1,1,0,0,0|2,0,0]=4 412 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000039160 [0,1,1,0,0,0|2,0,0]=4 413 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000039160 [0,1,1,0,0,0|2,0,0]=4 414 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000039160 [0,1,1,0,0,0|2,0,0]=4 415 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)F 11a_100000210047_100000039160 [0,1,1,0,0,0|2,0,0]=4 416 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000039160 [0,1,1,0,0,0|2,0,0]=4 417 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)F 22a_100000210047_100000039160 [0,1,1,0,0,0|2,0,0]=4 418 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)I 11a_100000211102_100000039160 [0,1,1,0,0,0|2,0,0]=4 419 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000039160 [0,1,1,0,0,0|2,0,0]=4 420 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)I 22a_100000211102_100000039160 [0,1,1,0,0,0|2,0,0]=4 421 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000039160 [0,1,1,0,0,0|2,0,0]=4 422 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)O 22a_100000210217_100000039160 [0,1,1,0,0,0|2,0,0]=4 423 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000036797 [0,1,1,0,0,0|2,0,0]=4 424 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000036797 [0,1,1,0,0,0|2,0,0]=4 425 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000036797 [0,1,1,0,0,0|2,0,0]=4 426 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)C 11a_100000188690_100000036797 [0,1,1,0,0,0|2,0,0]=4 427 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)C 1626a_100000188690_100000036797 [0,1,1,0,0,0|2,0,0]=4 428 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)C 22a_100000188690_100000036797 [0,1,1,0,0,0|2,0,0]=4 429 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000036797 [0,1,1,0,0,0|2,0,0]=4 430 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000036797 [0,1,1,0,0,0|2,0,0]=4 431 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000036797 [0,1,1,0,0,0|2,0,0]=4 432 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)F 11a_100000210047_100000036797 [0,1,1,0,0,0|2,0,0]=4 433 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000036797 [0,1,1,0,0,0|2,0,0]=4 434 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)F 22a_100000210047_100000036797 [0,1,1,0,0,0|2,0,0]=4 435 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)I 11a_100000211102_100000036797 [0,1,1,0,0,0|2,0,0]=4 436 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000036797 [0,1,1,0,0,0|2,0,0]=4 437 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)I 22a_100000211102_100000036797 [0,1,1,0,0,0|2,0,0]=4 438 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000036797 [0,1,1,0,0,0|2,0,0]=4 439 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)O 22a_100000210217_100000036797 [0,1,1,0,0,0|2,0,0]=4 440 B13R1.152 C=C(Br)C(=O)N(C)c1ccccc1 11a_100000210012_100009813364 [0,1,1,0,0,0|2,0,0]=4 441 B13R1.152 C=C(Br)C(=O)N(C)c1ccccc1 1626a_100000210012_100009813364 [0,1,1,0,0,0|2,0,0]=4 442 B13R1.152 C=C(C)C(=O)C(C)c1ccccc1 1458a_100000185857_100000230085 [0,1,1,0,0,0|2,0,0]=4 443 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 11a_100000210012_100000185857 [0,1,1,0,0,0|2,0,0]=4 444 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 1626a_100000210012_100000185857 [0,1,1,0,0,0|2,0,0]=4 445 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 22a_100000210012_100000185857 [0,1,1,0,0,0|2,0,0]=4 446 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 11a_100000210012_100000039160 [0,1,1,0,0,0|2,0,0]=4 447 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 1626a_100000210012_100000039160 [0,1,1,0,0,0|2,0,0]=4 448 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 22a_100000210012_100000039160 [0,1,1,0,0,0|2,0,0]=4 449 B13R1.152 C=C(F)C(=O)N(C)c1ccccc1 11a_100000210012_100000036797 [0,1,1,0,0,0|2,0,0]=4 450 B13R1.152 C=C(F)C(=O)N(C)c1ccccc1 1626a_100000210012_100000036797 [0,1,1,0,0,0|2,0,0]=4 451 B13R1.152 C=C(F)C(=O)N(C)c1ccccc1 22a_100000210012_100000036797 [0,1,1,0,0,0|2,0,0]=4 452 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Br 11a_100000210017_100009813364 [0,1,1,0,0,0|2,0,0]=4 453 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Br 1626a_100000210017_100009813364 [0,1,1,0,0,0|2,0,0]=4 454 B13R1.202 C=C(Br)C(=O)Nc1ccccc1C 11a_100015192222_100009813364 [0,1,1,0,0,0|2,0,0]=4 455 B13R1.202 C=C(Br)C(=O)Nc1ccccc1C 1626a_100015192222_100009813364 [0,1,1,0,0,0|2,0,0]=4 456 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Cl 11a_100000185783_100009813364 [0,1,1,0,0,0|2,0,0]=4 457 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Cl 1626a_100000185783_100009813364 [0,1,1,0,0,0|2,0,0]=4 458 B13R1.202 C=C(Br)C(=O)Nc1ccccc1F 11a_100000210422_100009813364 [0,1,1,0,0,0|2,0,0]=4 459 B13R1.202 C=C(Br)C(=O)Nc1ccccc1F 1626a_100000210422_100009813364 [0,1,1,0,0,0|2,0,0]=4 460 B13R1.202 C=C(Br)C(=O)Nc1ccccc1I 11a_100000210053_100009813364 [0,1,1,0,0,0|2,0,0]=4 461 B13R1.202 C=C(Br)C(=O)Nc1ccccc1I 1626a_100000210053_100009813364 [0,1,1,0,0,0|2,0,0]=4 462 B13R1.202 C=C(C)C(=O)Cc1ccccc1Br 1458a_100000185857_100000184730 [0,1,1,0,0,0|2,0,0]=4 463 B13R1.202 C=C(C)C(=O)Cc1ccccc1C 1458a_100000185857_100000211839 [0,1,1,0,0,0|2,0,0]=4 464 B13R1.202 C=C(C)C(=O)Cc1ccccc1Cl 1458a_100000185857_100000187162 [0,1,1,0,0,0|2,0,0]=4 465 B13R1.202 C=C(C)C(=O)Cc1ccccc1F 1458a_100000185857_100000187165 [0,1,1,0,0,0|2,0,0]=4 466 B13R1.202 C=C(C)C(=O)Cc1ccccc1I 1458a_100000185857_100011216222 [0,1,1,0,0,0|2,0,0]=4 467 B13R1.202 C=C(C)C(=O)Nc1ccccc1Br 11a_100000210017_100000185857 [0,1,1,0,0,0|2,0,0]=4 468 B13R1.202 C=C(C)C(=O)Nc1ccccc1Br 1626a_100000210017_100000185857 [0,1,1,0,0,0|2,0,0]=4 469 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 11a_100015192222_100000185857 [0,1,1,0,0,0|2,0,0]=4 470 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 1626a_100015192222_100000185857 [0,1,1,0,0,0|2,0,0]=4 471 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 22a_100015192222_100000185857 [0,1,1,0,0,0|2,0,0]=4 472 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 11a_100000185783_100000185857 [0,1,1,0,0,0|2,0,0]=4 473 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000185857 [0,1,1,0,0,0|2,0,0]=4 474 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 22a_100000185783_100000185857 [0,1,1,0,0,0|2,0,0]=4 475 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 11a_100000210422_100000185857 [0,1,1,0,0,0|2,0,0]=4 476 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 1626a_100000210422_100000185857 [0,1,1,0,0,0|2,0,0]=4 477 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 22a_100000210422_100000185857 [0,1,1,0,0,0|2,0,0]=4 478 B13R1.202 C=C(C)C(=O)Nc1ccccc1I 11a_100000210053_100000185857 [0,1,1,0,0,0|2,0,0]=4 479 B13R1.202 C=C(C)C(=O)Nc1ccccc1I 1626a_100000210053_100000185857 [0,1,1,0,0,0|2,0,0]=4 480 B13R1.202 C=C(C)C(=O)Nc1ccccc1O 22a_100000185747_100000185857 [0,1,1,0,0,0|2,0,0]=4 481 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Br 11a_100000210017_100000039160 [0,1,1,0,0,0|2,0,0]=4 482 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Br 1626a_100000210017_100000039160 [0,1,1,0,0,0|2,0,0]=4 483 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C 11a_100015192222_100000039160 [0,1,1,0,0,0|2,0,0]=4 484 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C 1626a_100015192222_100000039160 [0,1,1,0,0,0|2,0,0]=4 485 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C 22a_100015192222_100000039160 [0,1,1,0,0,0|2,0,0]=4 486 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Cl 11a_100000185783_100000039160 [0,1,1,0,0,0|2,0,0]=4 487 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000039160 [0,1,1,0,0,0|2,0,0]=4 488 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Cl 22a_100000185783_100000039160 [0,1,1,0,0,0|2,0,0]=4 489 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1F 11a_100000210422_100000039160 [0,1,1,0,0,0|2,0,0]=4 490 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1F 1626a_100000210422_100000039160 [0,1,1,0,0,0|2,0,0]=4 491 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1F 22a_100000210422_100000039160 [0,1,1,0,0,0|2,0,0]=4 492 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1I 11a_100000210053_100000039160 [0,1,1,0,0,0|2,0,0]=4 493 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1I 1626a_100000210053_100000039160 [0,1,1,0,0,0|2,0,0]=4 494 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1O 22a_100000185747_100000039160 [0,1,1,0,0,0|2,0,0]=4 495 B13R1.202 C=C(F)C(=O)Nc1ccccc1Br 11a_100000210017_100000036797 [0,1,1,0,0,0|2,0,0]=4 496 B13R1.202 C=C(F)C(=O)Nc1ccccc1Br 1626a_100000210017_100000036797 [0,1,1,0,0,0|2,0,0]=4 497 B13R1.202 C=C(F)C(=O)Nc1ccccc1C 11a_100015192222_100000036797 [0,1,1,0,0,0|2,0,0]=4 498 B13R1.202 C=C(F)C(=O)Nc1ccccc1C 1626a_100015192222_100000036797 [0,1,1,0,0,0|2,0,0]=4 499 B13R1.202 C=C(F)C(=O)Nc1ccccc1C 22a_100015192222_100000036797 [0,1,1,0,0,0|2,0,0]=4 500 B13R1.202 C=C(F)C(=O)Nc1ccccc1Cl 11a_100000185783_100000036797 [0,1,1,0,0,0|2,0,0]=4 501 B13R1.202 C=C(F)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000036797 [0,1,1,0,0,0|2,0,0]=4 502 B13R1.202 C=C(F)C(=O)Nc1ccccc1Cl 22a_100000185783_100000036797 [0,1,1,0,0,0|2,0,0]=4 503 B13R1.202 C=C(F)C(=O)Nc1ccccc1F 11a_100000210422_100000036797 [0,1,1,0,0,0|2,0,0]=4 504 B13R1.202 C=C(F)C(=O)Nc1ccccc1F 1626a_100000210422_100000036797 [0,1,1,0,0,0|2,0,0]=4 505 B13R1.202 C=C(F)C(=O)Nc1ccccc1F 22a_100000210422_100000036797 [0,1,1,0,0,0|2,0,0]=4 506 B13R1.202 C=C(F)C(=O)Nc1ccccc1I 11a_100000210053_100000036797 [0,1,1,0,0,0|2,0,0]=4 507 B13R1.202 C=C(F)C(=O)Nc1ccccc1I 1626a_100000210053_100000036797 [0,1,1,0,0,0|2,0,0]=4 508 B13R1.202 C=C(F)C(=O)Nc1ccccc1O 22a_100000185747_100000036797 [0,1,1,0,0,0|2,0,0]=4 509 B13R1.202 CC(=Cc1ccccc1Cl)C(=O)[13CH3] 1458a_100000693296_200025704644 [0,1,1,0,0,0|2,0,0]=4 510 B13R1.202 CC(=O)C(=Cc1ccccc1Cl)C 1458a_100000693296_200000210301 [0,1,1,0,0,0|2,0,0]=4 511 B13R1.418 CC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_200000210301 [0,1,1,0,0,0|2,0,0]=4 512 B13R1.418 [13CH3]C(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_200025704644 [0,1,1,0,0,0|2,0,0]=4 513 B13R1.380 C=C=Cc1ccccc1OC(=O)C 271570a_100015277604_100000051690 [0,1,1,0,0,0|1,0,1]=4 514 B13R1.380 CC=Cc1ccccc1CC(=O)C 271570a_100016259895_100011350739 [0,1,1,0,0,0|2,0,0]=4 515 B13R1.380 CC=Cc1ccccc1CC(=O)N 271570a_100016259895_200009814924 [0,1,1,0,0,0|2,0,0]=4 516 B13R1.380 CC=Cc1ccccc1NC(=O)C 271570a_100016259895_100000153524 [0,1,1,0,0,0|2,0,0]=4 517 B13R1.380 CC=Cc1ccccc1NC(=O)N 271570a_100016259895_100000742221 [0,1,1,0,0,0|2,0,0]=4 518 B13R1.380 CC=Cc1ccccc1OC(=O)C 271570a_100016259895_100000051690 [0,1,1,0,0,0|1,0,0]=3 519 B13R1.380 CC=Cc1ncccc1OC(=O)C 271570a_100016259895_200009815371 [0,1,1,0,0,0|2,0,0]=4 520 B13R1.485 C/C=C/c1ccccc1OCC=O 34a_200000189419_200009817547 [0,1,1,0,0,0|1,0,0]=3 521 B13R1.485 C/C=C/c1ccccc1OCC=O 7a_200000189419_200015260668 [0,1,1,0,0,0|1,0,0]=3 522 B13R1.485 C=CCOc1ccccc1/C=C/C 34a_200000189419_100015514636 [0,1,1,0,0,0|2,0,0]=4 523 B13R1.485 C=CCOc1ccccc1/C=C/C 7a_200000189419_100015514636 [0,1,1,0,0,0|2,0,0]=4 524 B13R1.485 C=CCc1ccccc1OCC=O 34a_100000211836_200009817547 [0,1,1,0,0,0|1,0,1]=4 525 B13R1.485 C=CCc1ccccc1OCC=O 7a_100000211836_200015260668 [0,1,1,0,0,0|1,0,1]=4 526 B13R1.485 CC=Cc1ccccc1CCC=O 271570a_100016259895_100011713448 [0,1,1,0,0,0|2,0,0]=4 527 B13R1.485 O=CCOc1ccccc1CCO 34a_100000719421_200009817547 [0,1,1,0,0,0|0,0,2]=4 528 B13R1.485 O=CCOc1ccccc1CCO 7a_100000719421_200015260668 [0,1,1,0,0,0|0,0,2]=4 529 B13R1.91 C=CC(=O)Cc1ccccc1C=O 1458a_100000185746_200009853537 [0,1,1,0,0,0|2,0,0]=4 530 B13R1.91 C=CC(=O)Nc1ccccc1C=C 1626a_100012022501_100000185746 [0,1,1,0,0,0|2,0,0]=4 531 B13R1.91 C=CC(=O)Nc1ccccc1C=C 22a_100012022501_100000185746 [0,1,1,0,0,0|2,0,0]=4 532 B13R1.91 C=Cc1ccccc1NC(=O)CO 22a_100012022501_100000210174 [0,1,1,0,0,0|1,0,1]=4 533 B13R1.91 O=Cc1ccccc1CC(=O)CO 1458a_100000210174_200009853537 [0,1,1,0,0,0|1,0,1]=4 534 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [1,1,0,0,0,0|1,0,0]=3 535 B13R2.32 Cc1c(ccc2c1cccn2)O 271570a_203496583355_200010137439 [1,1,0,0,0,0|2,0,0]=4 536 B13R2.32 Cc1c(ccc2c1nccc2)O 271570a_203496583355_100010214467 [1,1,0,0,0,0|2,0,0]=4 537 B13R2.32 Cc1ccc2ccccc2c1O 271570a_203496583355_100000759710 [1,1,0,0,0,0|2,0,0]=4 538 B13R2.32 Cc1cnc2ccccc2c1O 271570a_203496583355_100000092342 [1,1,0,0,0,0|2,0,0]=4 539 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [1,1,0,0,0,0|1,0,0]=3 540 B13R2.32 Nc1c(ccc2c1cccn2)O 271570a_203496583355_200010235790 [1,1,0,0,0,0|2,0,0]=4 541 B13R2.32 Nc1c(ccc2c1ccnc2)O 271570a_203496583355_100010191621 [1,1,0,0,0,0|2,0,0]=4 542 B13R2.32 Nc1c(cnc2c1cccc2)O 271570a_203496583355_100009995562 [1,1,0,0,0,0|1,0,0]=3 543 B13R2.32 Nc1c(ncc2c1cccc2)O 271570a_203496583355_100000087573 [1,1,0,0,0,0|2,0,0]=4 544 B13R2.32 Nc1ccc2ccccc2c1O 271570a_203496583355_100000705303 [1,1,0,0,0,0|2,0,0]=4 545 B13R2.32 Nc1cnc2ccccc2c1O 271570a_203496583355_100012243074 [1,1,0,0,0,0|2,0,0]=4 546 B13R2.32 O=c1c(c[nH]c2c1cccc2)O 271570a_203496583355_100012339567 [1,1,0,0,0,0|1,0,0]=3 547 B13R2.32 O=c1c(coc2c1cccc2)O 271570a_203496583355_100009813851 [1,1,0,0,0,0|0,0,0]=2 548 B13R2.32 Oc1c(ccc2c1cccc2)Br 271570a_203496583355_100010090040 [1,1,0,0,0,0|2,0,0]=4 549 B13R2.32 Oc1c(cnc2c1cccc2)Br 271570a_203496583355_200010179490 [1,1,0,0,0,0|2,0,0]=4 550 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [1,1,0,0,0,0|1,0,0]=3 551 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [1,1,0,0,0,0|1,0,0]=3 552 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [1,1,0,0,0,0|1,0,0]=3 553 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [1,1,0,0,0,0|1,0,0]=3 554 B13R2.32 Oc1ccc2cccnc2c1F 271570a_203496583355_100010751467 [1,1,0,0,0,0|2,0,0]=4 555 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100009816563 [1,1,0,0,0,0|2,0,0]=4 556 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100010173343 [1,1,0,0,0,0|2,0,0]=4 557 B13R2.32 Oc1ccc2ccncc2c1O 271570a_203496583355_200010115057 [1,1,0,0,0,0|2,0,0]=4 558 B13R2.32 Oc1cnc2ccccc2c1Cl 271570a_203496583355_100012352519 [1,1,0,0,0,0|1,0,0]=3 559 B13R2.32 Oc1nnc2ccccc2c1O 271570a_203496583355_100000688347 [1,1,0,0,0,0|2,0,0]=4 560 B13R2.57 C=Cc1ccc2ccccc2c1 271570a_100011290941_100000233703 [1,1,0,0,0,0|2,0,0]=4 561 B13R2.57 C=Cc1ccc2ccccc2n1 271570a_100011290941_100011291633 [1,1,0,0,0,0|2,0,0]=4 562 B13R2.57 C=Cc1cnc2ccccc2c1 271570a_100011290941_100000737414 [1,1,0,0,0,0|2,0,0]=4 563 B13R2.57 CNc1ccc2ccccc2c1 34a_100000211940_200000210301 [1,1,0,0,0,0|2,0,0]=4 564 B13R2.57 CNc1ccc2ccccc2c1 7a_100000211940_200000210301 [1,1,0,0,0,0|2,0,0]=4 565 B13R2.57 CNc1ccc2ccccc2n1 27a_100102657272_100011291633 [1,1,0,0,0,0|2,0,0]=4 566 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [1,1,0,0,0,0|1,0,0]=3 567 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [1,1,0,0,0,0|1,0,0]=3 568 B13R2.57 COc1ccc2cccnc2c1 34a_100011216045_200000210301 [1,1,0,0,0,0|2,0,0]=4 569 B13R2.57 COc1ccc2ccncc2c1 7a_100000752006_200000210301 [1,1,0,0,0,0|2,0,0]=4 570 B13R2.57 COc1ccc2cnccc2c1 34a_100000046372_200000210301 [1,1,0,0,0,0|2,0,0]=4 571 B13R2.57 COc1ccc2cnccc2c1 7a_100000046372_200000210301 [1,1,0,0,0,0|2,0,0]=4 572 B13R2.57 COc1ccc2ncccc2c1 34a_100011215586_200000210301 [1,1,0,0,0,0|2,0,0]=4 573 B13R2.57 COc1ccc2ncccc2c1 7a_100011215586_200000210301 [1,1,0,0,0,0|2,0,0]=4 574 B13R2.57 COc1cnc2ccccc2c1 34a_100011934006_200000210301 [1,1,0,0,0,0|1,0,0]=3 575 B13R2.57 COc1cnc2ccccc2c1 7a_100011934006_200000210301 [1,1,0,0,0,0|1,0,0]=3 576 B13R2.57 CSc1ccc2ccccc2c1 62a_200000210301_100000233703 [1,1,0,0,0,0|1,1,0]=4 577 B13R2.57 CSc1ccc2ccccc2n1 62a_100011291633_200000210301 [1,1,0,0,0,0|1,1,0]=4 578 B13R2.57 CSc1ccc2ccccc2n1 62a_200000210301_100011291633 [1,1,0,0,0,0|1,1,0]=4 579 B13R2.57 CSc1cnc2ccccc2c1 62a_200000210301_100000737414 [1,1,0,0,0,0|1,1,0]=4 580 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 34a_100000211940_200025704644 [1,1,0,0,0,0|2,0,0]=4 581 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 7a_100000211940_200025704644 [1,1,0,0,0,0|2,0,0]=4 582 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [1,1,0,0,0,0|1,0,0]=3 583 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [1,1,0,0,0,0|1,0,0]=3 584 B13R2.57 [13CH3]Oc1ccc2cccnc2c1 34a_100011216045_200025704644 [1,1,0,0,0,0|2,0,0]=4 585 B13R2.57 [13CH3]Oc1ccc2ccncc2c1 7a_100000752006_200025704644 [1,1,0,0,0,0|2,0,0]=4 586 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 34a_100000046372_200025704644 [1,1,0,0,0,0|2,0,0]=4 587 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 7a_100000046372_200025704644 [1,1,0,0,0,0|2,0,0]=4 588 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 34a_100011215586_200025704644 [1,1,0,0,0,0|2,0,0]=4 589 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 7a_100011215586_200025704644 [1,1,0,0,0,0|2,0,0]=4 590 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 34a_100011934006_200025704644 [1,1,0,0,0,0|1,0,0]=3 591 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 7a_100011934006_200025704644 [1,1,0,0,0,0|1,0,0]=3 592 B13R2.57 [13CH3]Sc1ccc2ccccc2c1 62a_200025704644_100000233703 [1,1,0,0,0,0|1,1,0]=4 593 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_100011291633_200025704644 [1,1,0,0,0,0|1,1,0]=4 594 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_200025704644_100011291633 [1,1,0,0,0,0|1,1,0]=4 595 B13R2.57 [13CH3]Sc1cnc2ccccc2c1 62a_200025704644_100000737414 [1,1,0,0,0,0|1,1,0]=4 596 B13R2.155 Cc1ccc2ccc(cc2n1)O 271570a_203496583355_100009817087 [1,1,0,0,0,0|2,0,0]=4 597 B13R2.155 Cc1ccc2ncc(cc2c1)O 271570a_203496583355_100015841224 [1,1,0,0,0,0|1,0,0]=3 598 B13R2.155 Cc1cnc2ccc(cc2c1)O 271570a_203496583355_100009817055 [1,1,0,0,0,0|2,0,0]=4 599 B13R2.155 Nc1cc2cc(ccc2cn1)O 271570a_203496583355_100009817123 [1,1,0,0,0,0|2,0,0]=4 600 B13R2.155 Nc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090036 [1,1,0,0,0,0|1,0,0]=3 601 B13R2.155 Nc1ccc2ccc(cc2n1)O 271570a_203496583355_100010187616 [1,1,0,0,0,0|2,0,0]=4 602 B13R2.155 Nc1ccc2ncc(cc2c1)O 271570a_203496583355_100009888932 [1,1,0,0,0,0|1,0,0]=3 603 B13R2.155 O=c1ccc2ccc(cc2o1)O 271570a_203496583355_100009993525 [1,1,0,0,0,0|0,0,0]=2 604 B13R2.155 O=c1ccc2cnc(cc2[nH]1)O 271570a_203496583355_100010563892 [1,1,0,0,0,0|2,0,0]=4 605 B13R2.155 Oc1cc2cc(ccc2cn1)F 271570a_203496583355_100009828686 [1,1,0,0,0,0|2,0,0]=4 606 B13R2.155 Oc1ccc2ccc(cc2c1)O 271570a_203496583355_100009816537 [1,1,0,0,0,0|1,0,0]=3 607 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000079174 [1,1,0,0,0,0|1,0,1]=4 608 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000690401 [1,1,0,0,0,0|1,0,1]=4 609 B13R2.155 Oc1ccc2cnc(cc2c1)F 271570a_203496583355_100010291885 [1,1,0,0,0,0|2,0,0]=4 610 B13R2.155 Oc1ccc2cnc(cc2c1)O 271570a_203496583355_100009817130 [1,1,0,0,0,0|2,0,0]=4 611 B13R2.155 Oc1ccc2ncc(cc2c1)Br 271570a_203496583355_200010254249 [1,1,0,0,0,0|2,0,0]=4 612 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100000703654 [1,1,0,0,0,0|1,0,0]=3 613 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100010137430 [1,1,0,0,0,0|1,0,0]=3 614 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_100010000190 [1,1,0,0,0,0|2,0,0]=4 615 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_200020640061 [1,1,0,0,0,0|2,0,0]=4 616 B13R2.155 Oc1cnc2ccc(cc2c1)Br 271570a_203496583355_100010740133 [1,1,0,0,0,0|1,0,0]=3 617 B13R2.155 Oc1cnc2ccc(cc2c1)Cl 271570a_203496583355_100015929906 [1,1,0,0,0,0|1,0,0]=3 618 B13R2.155 Oc1cnc2ccc(nc2c1)O 271570a_203496583355_100010009477 [1,1,0,0,0,0|2,0,0]=4 619 B13R2.155 [O-][n+]1ccc2ccc(cc2c1)O 271570a_203496583355_100009816120 [1,1,0,0,0,0|2,0,0]=4 620 B13R2.162 Cc1ccc2cccc(c2n1)O 271570a_203496583355_100011934484 [1,1,0,0,0,0|2,0,0]=4 621 B13R2.162 Cc1cccc2c1cc(cc2)O 271570a_203496583355_100010089936 [1,1,0,0,0,0|1,0,0]=3 622 B13R2.162 Cc1cccc2c1nc(cc2)O 271570a_203496583355_100012002297 [1,1,0,0,0,0|1,0,1]=4 623 B13R2.162 Cc1ccnc2c1cc(cc2)O 271570a_203496583355_100009817033 [1,1,0,0,0,0|2,0,0]=4 624 B13R2.162 Cc1nccc2c1cc(cc2)O 271570a_203496583355_200010739692 [1,1,0,0,0,0|2,0,0]=4 625 B13R2.162 Nc1ccc2cccc(c2n1)O 271570a_203496583355_100000687151 [1,1,0,0,0,0|2,0,0]=4 626 B13R2.162 Nc1cccc2c1cc(cc2)O 271570a_203496583355_100010090012 [1,1,0,0,0,0|1,0,0]=3 627 B13R2.162 Nc1cccc2c1cc(cn2)O 271570a_203496583355_100010264086 [1,1,0,0,0,0|1,0,0]=3 628 B13R2.162 Nc1ccnc2c1cc(cc2)O 271570a_203496583355_100011620571 [1,1,0,0,0,0|2,0,0]=4 629 B13R2.162 Nc1nccc2c1cc(cc2)O 271570a_203496583355_100012352255 [1,1,0,0,0,0|2,0,0]=4 630 B13R2.162 O=c1[nH]ccc2c1cc(cn2)O 271570a_203496583355_100010134370 [1,1,0,0,0,0|2,0,0]=4 631 B13R2.162 O=c1cc[nH]c2c1cc(cc2)O 271570a_203496583355_100000746092 [1,1,0,0,0,0|2,0,0]=4 632 B13R2.162 O=c1ccc2cccc(c2[nH]1)O 271570a_203496583355_100000688906 [1,1,0,0,0,0|1,0,0]=3 633 B13R2.162 O=c1ccoc2c1cc(cc2)O 271570a_203496583355_100009813387 [1,1,0,0,0,0|2,0,0]=4 634 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010089991 [1,1,0,0,0,0|1,0,0]=3 635 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010169565 [1,1,0,0,0,0|1,0,0]=3 636 B13R2.162 Oc1ccc2cccc(c2n1)F 271570a_203496583355_100012017632 [1,1,0,0,0,0|1,0,1]=4 637 B13R2.162 Oc1ccc2cccc(c2n1)O 271570a_203496583355_100010153751 [1,1,0,0,0,0|1,0,1]=4 638 B13R2.162 Oc1ccc2ccnc(c2c1)O 271570a_203496583355_100000010956 [1,1,0,0,0,0|2,0,0]=4 639 B13R2.162 Oc1ccc2ccnc(c2c1)O 271570a_203496583355_200009844553 [1,1,0,0,0,0|2,0,0]=4 640 B13R2.162 Oc1ccc2cncc(c2c1)O 271570a_203496583355_100010136424 [1,1,0,0,0,0|2,0,0]=4 641 B13R2.162 Oc1ccc2nccc(c2c1)Cl 271570a_203496583355_100011310491 [1,1,0,0,0,0|2,0,0]=4 642 B13R2.162 Oc1ccc2nccc(c2c1)O 271570a_203496583355_100000075933 [1,1,0,0,0,0|2,0,0]=4 643 B13R2.162 Oc1cnc2cccc(c2c1)O 271570a_203496583355_200010153752 [1,1,0,0,0,0|1,0,0]=3 644 B13R2.328 Cc1cc(c2ccccc2n1)O 271570a_203496583355_100000764982 [1,1,0,0,0,0|2,0,0]=4 645 B13R2.328 Cc1cc(cc2c1nccc2)O 271570a_203496583355_100010130319 [1,1,0,0,0,0|2,0,0]=4 646 B13R2.328 Cc1cc(nc2c1cccc2)O 271570a_203496583355_100012354972 [1,1,0,0,0,0|1,0,1]=4 647 B13R2.328 Nc1cc(c2ccccc2c1)O 271570a_203496583355_100010089974 [1,1,0,0,0,0|2,0,0]=4 648 B13R2.328 Nc1cc(cc2c1cccc2)O 271570a_203496583355_100010171453 [1,1,0,0,0,0|1,0,0]=3 649 B13R2.328 Nc1cc(cc2c1cccn2)O 271570a_203496583355_200010263263 [1,1,0,0,0,0|2,0,0]=4 650 B13R2.328 Nc1cc(cc2c1nccc2)O 271570a_203496583355_100009814519 [1,1,0,0,0,0|2,0,0]=4 651 B13R2.328 Nc1cc(nc2c1cccc2)O 271570a_203496583355_100010197925 [1,1,0,0,0,0|1,0,1]=4 652 B13R2.328 Nc1nc(cc2c1cccc2)O 271570a_203496583355_100009957331 [1,1,0,0,0,0|2,0,0]=4 653 B13R2.328 O=c1cc([nH]c2c1cccc2)O 271570a_203496583355_100000090176 [1,1,0,0,0,0|1,0,1]=4 654 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [1,1,0,0,0,0|1,0,0]=3 655 B13R2.328 O=c1cc(c2cccnc2[nH]1)O 271570a_203496583355_100010499609 [1,1,0,0,0,0|2,0,0]=4 656 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [1,1,0,0,0,0|1,0,0]=3 657 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [1,1,0,0,0,0|1,0,0]=3 658 B13R2.328 Oc1cc(c2cnccc2c1)F 271570a_203496583355_100011068762 [1,1,0,0,0,0|2,0,0]=4 659 B13R2.328 Oc1cc(c2cnccc2c1)O 271570a_203496583355_100011009069 [1,1,0,0,0,0|2,0,0]=4 660 B13R2.328 Oc1cc(c2ncccc2c1)Cl 271570a_203496583355_200010369337 [1,1,0,0,0,0|2,0,0]=4 661 B13R2.328 Oc1cc(c2ncccc2c1)F 271570a_203496583355_100010234705 [1,1,0,0,0,0|2,0,0]=4 662 B13R2.328 Oc1cc(c2ncccc2c1)O 271570a_203496583355_100010248853 [1,1,0,0,0,0|2,0,0]=4 663 B13R2.328 [O-][n+]1cc(cc2c1cccc2)O 271570a_203496583355_200010000521 [1,1,0,0,0,0|1,0,0]=3 664 B13R2.3683 C[n+]1ccc2cc(ccc2c1)O 271570a_203496583355_100015191232 [1,1,0,0,0,0|2,0,0]=4 665 B13R2.3683 Cc1ccc2cc(ccc2n1)O 271570a_203496583355_100000686635 [1,1,0,0,0,0|2,0,0]=4 666 B13R2.3683 Cc1ccc2nc(ccc2c1)O 271570a_203496583355_100011865911 [1,1,0,0,0,0|1,0,1]=4 667 B13R2.3683 Cc1cnc2cc(ccc2c1)O 271570a_203496583355_100010751441 [1,1,0,0,0,0|2,0,0]=4 668 B13R2.3683 Nc1cc2ccc(cc2cn1)O 271570a_203496583355_100010232990 [1,1,0,0,0,0|2,0,0]=4 669 B13R2.3683 Nc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185457 [1,1,0,0,0,0|1,0,0]=3 670 B13R2.3683 Nc1ccc2cc(ccc2n1)O 271570a_203496583355_100011934619 [1,1,0,0,0,0|2,0,0]=4 671 B13R2.3683 Nc1ccc2cc(cnc2c1)O 271570a_203496583355_200010264087 [1,1,0,0,0,0|1,0,0]=3 672 B13R2.3683 Nc1ccc2cc(cnc2n1)O 271570a_203496583355_100010214896 [1,1,0,0,0,0|2,0,0]=4 673 B13R2.3683 Nc1ccc2nc(cnc2c1)O 271570a_203496583355_100009885871 [1,1,0,0,0,0|2,0,0]=4 674 B13R2.3683 Nc1cnc2cc(ccc2c1)O 271570a_203496583355_100010142226 [1,1,0,0,0,0|2,0,0]=4 675 B13R2.3683 O=C1CCc2cc(ccc2O1)O 271570a_203496583355_100010179853 [1,1,0,0,0,0|0,0,2]=4 676 B13R2.3683 O=c1ccc2cc(ccc2[nH]1)O 271570a_203496583355_100011934725 [1,1,0,0,0,0|1,0,0]=3 677 B13R2.3683 O=c1ccc2cc(ccc2o1)O 271570a_203496583355_100009999946 [1,1,0,0,0,0|0,0,0]=2 678 B13R2.3683 O=c1cnc2cc(ccc2[nH]1)O 271570a_203496583355_100010209493 [1,1,0,0,0,0|2,0,0]=4 679 B13R2.3683 Oc1ccc2cc(ccc2c1)Br 271570a_203496583355_100012344972 [1,1,0,0,0,0|1,0,0]=3 680 B13R2.3683 Oc1ccc2cc(ccc2c1)F 271570a_203496583355_100009817052 [1,1,0,0,0,0|1,0,0]=3 681 B13R2.3683 Oc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185455 [1,1,0,0,0,0|1,0,0]=3 682 B13R2.3683 Oc1ccc2cc(ccc2n1)F 271570a_203496583355_100011998705 [1,1,0,0,0,0|1,0,1]=4 683 B13R2.3683 Oc1ccc2cc(cnc2c1)Br 271570a_203496583355_200015509644 [1,1,0,0,0,0|2,0,0]=4 684 B13R2.3683 Oc1ccc2cc(cnc2c1)F 271570a_203496583355_100010751466 [1,1,0,0,0,0|2,0,0]=4 685 B13R2.3683 Oc1ccc2nc(ccc2c1)Cl 271570a_203496583355_200012034268 [1,1,0,0,0,0|2,0,0]=4 686 B13R2.3683 Oc1ccc2nc(ccc2c1)O 271570a_203496583355_100009849208 [1,1,0,0,0,0|1,0,1]=4 687 B13R2.3683 Oc1ccc2nc(cnc2c1)O 271570a_203496583355_200010664160 [1,1,0,0,0,0|2,0,0]=4 688 B13R2.3683 Oc1cnc2cc(ccc2c1)Cl 271570a_203496583355_100015716233 [1,1,0,0,0,0|1,0,0]=3 689 B13R2.3683 Oc1cnc2cc(ccc2c1)O 271570a_203496583355_200010153753 [1,1,0,0,0,0|1,0,0]=3 690 B13R2.3683 Oc1cnc2cc(ccc2n1)F 271570a_203496583355_100000098432 [1,1,0,0,0,0|2,0,0]=4 691 B13R2.3683 Oc1cnc2nc(ccc2c1)O 271570a_203496583355_100009814606 [1,1,0,0,0,0|2,0,0]=4 692 B13R2.5179 Cc1ccc2c(cccc2n1)O 271570a_203496583355_100010173736 [1,1,0,0,0,0|2,0,0]=4 693 B13R2.5179 Cc1cccc2c1ncc(c2)O 271570a_203496583355_100009829671 [1,1,0,0,0,0|1,0,0]=3 694 B13R2.5179 Cc1ccnc2c1ccc(c2)O 271570a_203496583355_100010132309 [1,1,0,0,0,0|2,0,0]=4 695 B13R2.5179 Nc1ccc2c(cccc2n1)O 271570a_203496583355_100000723655 [1,1,0,0,0,0|2,0,0]=4 696 B13R2.5179 Nc1cccc2c1ccc(c2)O 271570a_203496583355_100010090037 [1,1,0,0,0,0|1,0,0]=3 697 B13R2.5179 Nc1cccc2c1ncc(c2)O 271570a_203496583355_100000702407 [1,1,0,0,0,0|1,0,0]=3 698 B13R2.5179 Nc1ccnc2c1ccc(c2)O 271570a_203496583355_200009816820 [1,1,0,0,0,0|2,0,0]=4 699 B13R2.5179 Nc1nccc2c1ccc(c2)O 271570a_203496583355_100000732483 [1,1,0,0,0,0|2,0,0]=4 700 B13R2.5179 O=C1CCc2c(cccc2O1)O 271570a_203496583355_200015620928 [1,1,0,0,0,0|0,0,2]=4 701 B13R2.5179 O=c1ccc2c(cccc2[nH]1)O 271570a_203496583355_100000726145 [1,1,0,0,0,0|1,0,0]=3 702 B13R2.5179 O=c1ccoc2c1ccc(c2)O 271570a_203496583355_100010062221 [1,1,0,0,0,0|2,0,0]=4 703 B13R2.5179 Oc1cc2cccc(c2cn1)O 271570a_203496583355_100009817091 [1,1,0,0,0,0|2,0,0]=4 704 B13R2.5179 Oc1ccc2c(cccc2c1)O 271570a_203496583355_100010202202 [1,1,0,0,0,0|1,0,0]=3 705 B13R2.5179 Oc1ccc2c(ccnc2c1)Cl 271570a_203496583355_100009996786 [1,1,0,0,0,0|2,0,0]=4 706 B13R2.5179 Oc1ccc2c(ccnc2c1)O 271570a_203496583355_100000045489 [1,1,0,0,0,0|2,0,0]=4 707 B13R2.5179 Oc1ccc2c(ccnc2c1)O 271570a_203496583355_100000756855 [1,1,0,0,0,0|2,0,0]=4 708 B13R2.5179 Oc1ccc2c(nccc2c1)O 271570a_203496583355_100000760485 [1,1,0,0,0,0|2,0,0]=4 709 B13R2.5179 Oc1ccc2c(nccc2c1)O 271570a_203496583355_100009867704 [1,1,0,0,0,0|2,0,0]=4 710 B13R2.5179 Oc1cnc2c(cccc2c1)Br 271570a_203496583355_100010204298 [1,1,0,0,0,0|1,0,0]=3 711 B13R2.5179 Oc1cnc2c(cccc2c1)Cl 271570a_203496583355_100000759377 [1,1,0,0,0,0|1,0,0]=3 712 B13R2.5179 Oc1cnc2c(cccc2c1)F 271570a_203496583355_100000049890 [1,1,0,0,0,0|1,0,0]=3 713 B13R2.5179 Oc1cnc2c(nccc2c1)O 271570a_203496583355_100010117065 [1,1,0,0,0,0|2,0,0]=4 714 B13R2.45 COc1cc2ccccc2n1C 34a_100000066695_200000210301 [0,1,0,0,1,0|2,0,0]=4 715 B13R2.45 Cn1c(cc2c1cccc2)O[13CH3] 34a_100000066695_200025704644 [0,1,0,0,1,0|2,0,0]=4 716 B13R2.45 O=Cc1sc2ccccc2c1O 271570a_203496583355_100009816528 [0,1,0,0,1,0|0,1,0]=3 717 B13R2.135 C=Cc1c(oc2c1cccc2)C 271570a_100011290941_200010236113 [0,1,0,0,1,0|2,0,0]=4 718 B13R2.135 CSc1c(oc2c1cccc2)C 62a_200000210301_200010236113 [0,1,0,0,1,0|1,1,0]=4 719 B13R2.135 Cc1oc2ccccc2c1S[13CH3] 62a_200025704644_200010236113 [0,1,0,0,1,0|1,1,0]=4 720 B13R2.3028 O=C1Nc2ccc(cc2C1=O)O 271570a_203496583355_100000024671 [0,1,0,0,1,0|1,0,1]=4 721 B13R2.4825 O=C1Nc2c(cccc2C1=O)O 271570a_203496583355_100000183292 [0,1,0,0,1,0|1,0,1]=4 722 B13R2.4856 O=C1Nc2cccc(c2C1=O)O 271570a_203496583355_100000697038 [0,1,0,0,1,0|1,0,1]=4 723 B13R2.5190 Cn1c(=O)oc2c1ccc(c2)O 271570a_203496583355_100000753874 [0,1,0,0,1,0|2,0,0]=4 724 B13R2.5190 O=C1Nc2cc(ccc2C1=O)O 271570a_203496583355_100000239657 [0,1,0,0,1,0|1,0,1]=4 725 B15R2.117 C=Cc1cc2ccccc2cc1OC 271570a_100011290941_100009817100 [0,2,0,0,0,0|2,0,0]=4 726 B15R2.117 C=Cc1nc2ccccc2cc1CO 271570a_100011290941_100000754719 [0,2,0,0,0,0|2,0,0]=4 727 B15R2.117 CNc1nc2ccccc2cc1CO 27a_100102657272_100000754719 [0,2,0,0,0,0|2,0,0]=4 728 B15R2.117 COc1cc2ccccc2cc1C#N 34a_100009851763_200000210301 [0,2,0,0,0,0|2,0,0]=4 729 B15R2.117 COc1cc2ccccc2cc1C#N 7a_100009851763_200000210301 [0,2,0,0,0,0|2,0,0]=4 730 B15R2.117 COc1cc2ccccc2cc1OC 34a_200011203880_200000210301 [0,2,0,0,0,0|1,0,1]=4 731 B15R2.117 COc1cc2ccccc2cc1OC 7a_200011203880_200000210301 [0,2,0,0,0,0|1,0,1]=4 732 B15R2.117 COc1cc2ccccc2cc1O[13CH3] 34a_200011203880_200025704644 [0,2,0,0,0,0|1,0,1]=4 733 B15R2.117 COc1cc2ccccc2cc1O[13CH3] 7a_200011203880_200025704644 [0,2,0,0,0,0|1,0,1]=4 734 B15R2.117 COc1cc2ccccc2cc1SC 62a_100009817100_200000210301 [0,2,0,0,0,0|1,1,0]=4 735 B15R2.117 COc1cc2ccccc2cc1SC 62a_200000210301_100009817100 [0,2,0,0,0,0|1,1,0]=4 736 B15R2.117 COc1cc2ccccc2cc1S[13CH3] 62a_100009817100_200025704644 [0,2,0,0,0,0|1,1,0]=4 737 B15R2.117 COc1cc2ccccc2cc1S[13CH3] 62a_200025704644_100009817100 [0,2,0,0,0,0|1,1,0]=4 738 B15R2.117 CSc1nc2ccccc2cc1CO 62a_200000210301_100000754719 [0,2,0,0,0,0|1,1,0]=4 739 B15R2.117 [13CH3]Oc1cc2ccccc2cc1C#N 34a_100009851763_200025704644 [0,2,0,0,0,0|2,0,0]=4 740 B15R2.117 [13CH3]Oc1cc2ccccc2cc1C#N 7a_100009851763_200025704644 [0,2,0,0,0,0|2,0,0]=4 741 B15R2.117 [13CH3]Sc1nc2ccccc2cc1CO 62a_200025704644_100000754719 [0,2,0,0,0,0|1,1,0]=4 742 B15R2.274 CSc1c(c2ccccc2oc1=O)O 62a_200000210301_100009994742 [0,2,0,0,0,0|0,1,0]=3 743 B15R2.274 N#Cc1c(c2ccccc2[nH]c1=O)O 271570a_203496583355_100000040898 [0,2,0,0,0,0|2,0,0]=4 744 B15R2.274 O=Cc1c(c2ccccc2oc1=O)O 271570a_203496583355_100000046281 [0,2,0,0,0,0|0,0,1]=3 745 B15R2.274 [13CH3]Sc1c(c2ccccc2oc1=O)O 62a_200025704644_100009994742 [0,2,0,0,0,0|0,1,0]=3 746 B15R2.888 C=C=Cc1cc2ccccc2cc1O 271570a_100015277604_100009817189 [0,2,0,0,0,0|2,0,0]=4 747 B15R2.888 C=C=Cc1cc2ccccc2oc1=O 271570a_100015277604_200000187772 [0,2,0,0,0,0|1,0,0]=3 748 B15R2.888 C=C=Cc1nc2ccccc2cc1O 271570a_100015277604_200000100762 [0,2,0,0,0,0|2,0,0]=4 749 B15R2.888 CC=Cc1cc2ccccc2cc1O 271570a_100016259895_100009817189 [0,2,0,0,0,0|2,0,0]=4 750 B15R2.888 CC=Cc1cc2ccccc2oc1=O 271570a_100016259895_200000187772 [0,2,0,0,0,0|1,0,0]=3 751 B15R2.888 CC=Cc1nc2ccccc2cc1O 271570a_100016259895_200000100762 [0,2,0,0,0,0|2,0,0]=4 752 B15R2.888 CCOc1cc2ccccc2cc1Br 34a_100009817189_100000210202 [0,2,0,0,0,0|2,0,0]=4 753 B15R2.888 CCOc1cc2ccccc2cc1Br 7a_100009817189_100000210202 [0,2,0,0,0,0|2,0,0]=4 754 B15R2.888 CCOc1cc2ccccc2cc1C 34a_100000091601_100000210202 [0,2,0,0,0,0|2,0,0]=4 755 B15R2.888 CCOc1cc2ccccc2cc1C 7a_100000091601_100000210202 [0,2,0,0,0,0|2,0,0]=4 756 B15R2.888 CCOc1cc2ccccc2cc1N 34a_106744474703_100000210202 [0,2,0,0,0,0|2,0,0]=4 757 B15R2.888 CCOc1cc2ccccc2cc1N 7a_106744474703_100000210202 [0,2,0,0,0,0|2,0,0]=4 758 B15R2.888 CCOc1cc2ccccc2nc1C 34a_200000079175_100000210202 [0,2,0,0,0,0|2,0,0]=4 759 B15R2.888 CCOc1cc2ccccc2nc1C 7a_200000079175_100000210202 [0,2,0,0,0,0|2,0,0]=4 760 B15R2.888 CCOc1cc2ccccc2nc1Cl 34a_200000100762_100000210202 [0,2,0,0,0,0|2,0,0]=4 761 B15R2.888 CCOc1cc2ccccc2nc1Cl 7a_200000100762_100000210202 [0,2,0,0,0,0|2,0,0]=4 762 B15R2.888 CCOc1cc2ccccc2oc1=O 7a_100000061252_100000210202 [0,2,0,0,0,0|0,0,0]=2 763 B15R2.888 CCSc1cc2ccccc2cc1O 62a_100000210202_100009817189 [0,2,0,0,0,0|1,1,0]=4 764 B15R2.888 CCSc1cc2ccccc2oc1=O 62a_100000210202_200000187772 [0,2,0,0,0,0|0,1,0]=3 765 B15R2.888 CCSc1nc2ccccc2cc1O 62a_100000210202_200000100762 [0,2,0,0,0,0|1,1,0]=4 766 B15R2.888 COCc1cc2ccccc2nc1Cl 34a_100000754719_200000210301 [0,2,0,0,0,0|2,0,0]=4 767 B15R2.888 COCc1cc2ccccc2nc1Cl 34a_100138415774_100000189640 [0,2,0,0,0,0|2,0,0]=4 768 B15R2.888 COCc1cc2ccccc2nc1Cl 7a_100000754719_200000210301 [0,2,0,0,0,0|2,0,0]=4 769 B15R2.888 Cc1cc2ccccc2cc1OCF 34a_100000091601_100015361967 [0,2,0,0,0,0|2,0,0]=4 770 B15R2.888 Cc1cc2ccccc2cc1OCF 7a_100000091601_100015361967 [0,2,0,0,0,0|2,0,0]=4 771 B15R2.888 Cc1nc2ccccc2cc1OCF 34a_200000079175_100015361967 [0,2,0,0,0,0|2,0,0]=4 772 B15R2.888 Cc1nc2ccccc2cc1OCF 7a_200000079175_100015361967 [0,2,0,0,0,0|2,0,0]=4 773 B15R2.888 FCOc1cc2ccccc2cc1Br 34a_100009817189_100015361967 [0,2,0,0,0,0|2,0,0]=4 774 B15R2.888 FCOc1cc2ccccc2cc1Br 7a_100009817189_100015361967 [0,2,0,0,0,0|2,0,0]=4 775 B15R2.888 FCOc1cc2ccccc2nc1Cl 34a_200000100762_100015361967 [0,2,0,0,0,0|2,0,0]=4 776 B15R2.888 FCOc1cc2ccccc2nc1Cl 7a_200000100762_100015361967 [0,2,0,0,0,0|2,0,0]=4 777 B15R2.888 Nc1cc2ccccc2cc1OCF 34a_106744474703_100015361967 [0,2,0,0,0,0|2,0,0]=4 778 B15R2.888 Nc1cc2ccccc2cc1OCF 7a_106744474703_100015361967 [0,2,0,0,0,0|2,0,0]=4 779 B15R2.888 O=c1oc2ccccc2cc1OCF 7a_100000061252_100015361967 [0,2,0,0,0,0|0,0,0]=2 780 B15R2.888 O=c1oc2ccccc2cc1SCF 62a_100015361967_200000187772 [0,2,0,0,0,0|0,1,0]=3 781 B15R2.888 Oc1cc2ccccc2cc1SCF 62a_100015361967_100009817189 [0,2,0,0,0,0|1,1,0]=4 782 B15R2.888 Oc1cc2ccccc2nc1SCF 62a_100015361967_200000100762 [0,2,0,0,0,0|1,1,0]=4 783 B15R2.888 [13CH3]OCc1cc2ccccc2nc1Cl 34a_100000754719_200025704644 [0,2,0,0,0,0|2,0,0]=4 784 B15R2.888 [13CH3]OCc1cc2ccccc2nc1Cl 7a_100000754719_200025704644 [0,2,0,0,0,0|2,0,0]=4 785 B15R2.984 C=C(C)c1cc2ccccc2cc1O 271570a_100000694244_100009817189 [0,2,0,0,0,0|2,0,0]=4 786 B15R2.984 C=C(C)c1cc2ccccc2oc1=O 271570a_100000694244_200000187772 [0,2,0,0,0,0|1,0,0]=3 787 B15R2.984 C=C(C)c1nc2ccccc2cc1O 271570a_100000694244_200000100762 [0,2,0,0,0,0|2,0,0]=4 788 B15R2.984 CC(=O)c1cc2ccccc2cc1Cl 1458a_100010003416_200000210301 [0,2,0,0,0,0|2,0,0]=4 789 B15R2.984 CC(=O)c1cc2ccccc2cc1O 1458a_100000212107_200000210301 [0,2,0,0,0,0|1,0,0]=3 790 B15R2.984 OB(O)c1cc2ccccc2cc1O 271570a_203496583355_200010152629 [0,2,0,0,0,0|1,0,1]=4 791 B15R2.984 [13CH3]C(=O)c1cc2ccccc2cc1Cl 1458a_100010003416_200025704644 [0,2,0,0,0,0|2,0,0]=4 792 B15R2.984 [13CH3]C(=O)c1cc2ccccc2cc1O 1458a_100000212107_200025704644 [0,2,0,0,0,0|1,0,0]=3 793 B15R2.1754 C=Cc1cc2ccc(cc2cc1O)O 271570a_100011290941_100010179872 [0,2,0,0,0,0|2,0,0]=4 794 B15R2.1754 CSc1cc2ccc(cc2cc1O)O 62a_200000210301_100010179872 [0,2,0,0,0,0|1,1,0]=4 795 B15R2.1754 Cc1ccc2cc(c(nc2c1)O)C=O 271570a_203496583355_100000009997 [0,2,0,0,0,0|2,0,0]=4 796 B15R2.1754 Cc1ccc2cc(c(nc2c1)O)CO 271570a_203496583355_100000246279 [0,2,0,0,0,0|1,0,1]=4 797 B15R2.1754 O=Cc1cc2ccc(cc2nc1O)F 271570a_203496583355_100000069975 [0,2,0,0,0,0|2,0,0]=4 798 B15R2.1754 [13CH3]Sc1cc2ccc(cc2cc1O)O 62a_200025704644_100010179872 [0,2,0,0,0,0|1,1,0]=4 799 B15R2.1824 Cc1ccc2nc(c(cc2c1)C=O)O 271570a_203496583355_100000009852 [0,2,0,0,0,0|2,0,0]=4 800 B15R2.1824 Cc1ccc2nc(c(cc2c1)CO)O 271570a_203496583355_100000012208 [0,2,0,0,0,0|1,0,1]=4 801 B15R2.1824 O=Cc1cc2cc(ccc2nc1O)F 271570a_203496583355_100000010802 [0,2,0,0,0,0|2,0,0]=4 802 B15R2.2039 Cc1cccc2c1nc(c(c2)C=O)O 271570a_203496583355_100000009883 [0,2,0,0,0,0|2,0,0]=4 803 B15R2.2039 Cc1cccc2c1nc(c(c2)CO)O 271570a_203496583355_200000025415 [0,2,0,0,0,0|1,0,1]=4 804 B15R2.9032 Cc1c(c(=O)n(c2c1cccc2)C)O 271570a_203496583355_100010739255 [0,2,0,0,0,0|1,0,0]=3 805 B15R2.63893 Cc1c(c(=O)oc2c1ccc(c2)O)O 271570a_203496583355_200009996780 [0,2,0,0,0,0|0,0,0]=2 806 B13R2.435 C=C(C)c1cc2ccccc2o1 271570a_100000694244_100010159458 [0,0,1,1,0,0|2,0,0]=4 807 B13R2.435 CC(=O)C1=Cc2ccccc2C1 1458a_100009862756_200000210301 [0,0,1,1,0,0|2,0,0]=4 808 B13R2.435 [13CH3]C(=O)C1=Cc2ccccc2C1 1458a_100009862756_200025704644 [0,0,1,1,0,0|2,0,0]=4 809 B13R2.292 CC=Cc1cccc2c1cco2 271570a_100016259895_100000756496 [0,0,1,1,0,0|2,0,0]=4 810 B13R2.292 CC=Cc1cccc2c1occ2 271570a_100016259895_100011935138 [0,0,1,1,0,0|2,0,0]=4 811 B13R2.292 CC=Cc1cccc2c1ocn2 271570a_100016259895_100000728214 [0,0,1,1,0,0|2,0,0]=4 812 B13R2.54 O=Cc1cc2c(cccc2s1)O 271570a_203496583355_100010109917 [0,0,1,1,0,0|0,1,0]=3 813 B13R2.54 O=Cc1cc2cccc(c2s1)O 271570a_203496583355_100010110135 [0,0,1,1,0,0|2,0,0]=4 814 B13R2.54 O=Cc1cn2c(cccc2n1)O 271570a_203496583355_100010238484 [0,0,1,1,0,0|2,0,0]=4 815 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,0,1,0,1,0|2,0,0]=4 816 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,0,1,0,1,0|2,0,0]=4 817 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,0,1,0,1,0|1,0,1]=4 818 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,0,1,0,1,0|1,0,1]=4 819 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [1,0,0,0,1,0|2,0,0]=4 820 B11R2.1 Oc1c[nH]c2c1ccnc2 271570a_203496583355_100010232032 [1,0,0,0,1,0|2,0,0]=4 821 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [1,0,0,0,1,0|2,0,0]=4 822 B11R2.1 Oc1c[nH]c2c1nccc2 271570a_203496583355_100009817151 [1,0,0,0,1,0|2,0,0]=4 823 B11R2.1 Oc1cnc2n1cccc2 271570a_203496583355_100011219245 [1,0,0,0,1,0|2,0,0]=4 824 B11R2.1 Oc1cnn2c1cccc2 271570a_203496583355_100009817726 [1,0,0,0,1,0|2,0,0]=4 825 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,0,1,0|0,0,0]=2 826 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [1,0,0,0,1,0|1,0,0]=3 827 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,0,1,0|0,1,0]=3 828 B11R2.1 Oc1csc2c1cccn2 271570a_203496583355_100009830249 [1,0,0,0,1,0|1,1,0]=4 829 B11R2.1 Oc1csc2c1ccnc2 271570a_203496583355_100009817111 [1,0,0,0,1,0|1,1,0]=4 830 B11R2.1 Oc1csc2c1cncc2 271570a_203496583355_100010247091 [1,0,0,0,1,0|1,1,0]=4 831 B11R2.1 Oc1csc2c1nccc2 271570a_203496583355_100010247092 [1,0,0,0,1,0|1,1,0]=4 832 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [1,0,0,0,1,0|2,0,0]=4 833 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,0,1,0|1,0,0]=3 834 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,0,1,0|0,0,0]=2 835 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,0,1,0|0,1,0]=3 836 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [1,0,0,0,1,0|2,0,0]=4 837 B11R2.10 Oc1cn2ccccc2n1 271570a_203496583355_100009819586 [1,0,0,0,1,0|2,0,0]=4 838 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [1,0,0,0,1,0|2,0,0]=4 839 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [1,0,0,0,1,0|1,1,0]=4 840 B11R2.36 Oc1ccc2[nH]ccc2c1 271570a_203496583355_100000211741 [1,0,0,0,1,0|2,0,0]=4 841 B11R2.36 Oc1ccc2c(c1)C=CC2 271570a_203496583355_100009814306 [1,0,0,0,1,0|1,0,1]=4 842 B11R2.36 Oc1ccc2c(c1)CC=C2 271570a_203496583355_200009818231 [1,0,0,0,1,0|1,0,1]=4 843 B11R2.36 Oc1ccc2cc[nH]c2c1 271570a_203496583355_100000743809 [1,0,0,0,1,0|2,0,0]=4 844 B11R2.36 Oc1ccc2ccoc2c1 271570a_203496583355_100000759542 [1,0,0,0,1,0|2,0,0]=4 845 B11R2.36 Oc1ccc2ccsc2c1 271570a_203496583355_100009888917 [1,0,0,0,1,0|2,0,0]=4 846 B11R2.36 Oc1ccc2cscc2c1 271570a_203496583355_200010760811 [1,0,0,0,1,0|2,0,0]=4 847 B11R2.36 Oc1ccc2occc2c1 271570a_203496583355_100012343831 [1,0,0,0,1,0|2,0,0]=4 848 B11R2.36 Oc1ccc2sccc2c1 271570a_203496583355_100009814439 [1,0,0,0,1,0|2,0,0]=4 849 B11R2.36 Oc1cnc2[nH]ccc2c1 271570a_203496583355_100000760471 [1,0,0,0,1,0|2,0,0]=4 850 B11R2.36 Oc1cnc2cc[nH]c2c1 271570a_203496583355_100009818992 [1,0,0,0,1,0|2,0,0]=4 851 B11R2.36 Oc1cnc2sccc2c1 271570a_203496583355_100010135160 [1,0,0,0,1,0|2,0,0]=4 852 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 1458a_100000070787_100009813826 [0,0,1,0,0,1|0,0,2]=4 853 B13R1.351 C=C(Br)C(=O)NCc1ccccc1 11a_100015324214_100009813364 [0,0,1,0,0,1|2,0,0]=4 854 B13R1.351 C=C(Br)C(=O)NCc1ccccc1 1626a_100015324214_100009813364 [0,0,1,0,0,1|2,0,0]=4 855 B13R1.351 C=C(C)C(=O)CCc1ccccc1 1458a_100000185857_100000765856 [0,0,1,0,0,1|2,0,0]=4 856 B13R1.351 C=C(C)C(=O)NCc1ccccc1 11a_100015324214_100000185857 [0,0,1,0,0,1|2,0,0]=4 857 B13R1.351 C=C(C)C(=O)NCc1ccccc1 1626a_100015324214_100000185857 [0,0,1,0,0,1|2,0,0]=4 858 B13R1.351 C=C(C)C(=O)NNc1ccccc1 22a_100015195140_100000185857 [0,0,1,0,0,1|2,0,0]=4 859 B13R1.351 C=C(Cl)C(=O)NCc1ccccc1 11a_100015324214_100000039160 [0,0,1,0,0,1|2,0,0]=4 860 B13R1.351 C=C(Cl)C(=O)NCc1ccccc1 1626a_100015324214_100000039160 [0,0,1,0,0,1|2,0,0]=4 861 B13R1.351 C=C(Cl)C(=O)NNc1ccccc1 22a_100015195140_100000039160 [0,0,1,0,0,1|2,0,0]=4 862 B13R1.351 C=C(F)C(=O)NCc1ccccc1 11a_100015324214_100000036797 [0,0,1,0,0,1|2,0,0]=4 863 B13R1.351 C=C(F)C(=O)NCc1ccccc1 1626a_100015324214_100000036797 [0,0,1,0,0,1|2,0,0]=4 864 B13R1.351 C=C(F)C(=O)NNc1ccccc1 22a_100015195140_100000036797 [0,0,1,0,0,1|2,0,0]=4 865 B13R1.351 CC(=O)C(=O)COc1ccccc1 34a_100000210340_100011261029 [0,0,1,0,0,1|0,0,2]=4