0 B13R2.369 Cc1cc2ccccc2nc1O 271570a_203496583355_100000751756 [0,0,0,0,0,0|1,0,2]=3 1 B13R2.369 Cc1cc2cccnc2nc1O 271570a_203496583355_100009877248 [0,0,0,0,0,0|2,0,2]=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|2,0,1]=3 5 B13R2.369 Cc1nc2nccnc2cc1O 271570a_203496583355_100010212747 [0,0,0,0,0,0|3,0,1]=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|1,0,1]=2 8 B13R2.369 Nc1nc2ccccc2nc1O 271570a_203496583355_100000009970 [0,0,0,0,0,0|2,0,1]=3 9 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [0,0,0,0,0,0|1,0,0]=1 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|1,0,1]=2 14 B13R2.369 Oc1cc2ccccc2nc1F 271570a_203496583355_100011158909 [0,0,0,0,0,0|1,0,1]=2 15 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200000100762 [0,0,0,0,0,0|0,0,2]=2 16 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200009820883 [0,0,0,0,0,0|0,0,2]=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|1,0,2]=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|0,0,2]=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|1,0,2]=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|1,0,2]=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|1,0,2]=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|0,0,1]=2 39 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [1,0,0,0,0,0|1,0,1]=3 40 B12R2.24 Oc1cnc2cccnc2c1 271570a_203496583355_100010246316 [1,0,0,0,0,0|1,0,1]=3 41 B12R2.24 Oc1cnc2ncccc2n1 271570a_203496583355_100000084304 [1,0,0,0,0,0|2,0,1]=4 42 B12R2.24 Oc1cnc2nccnc2c1 271570a_203496583355_100000753224 [1,0,0,0,0,0|2,0,1]=4 43 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [1,0,0,0,0,0|1,0,2]=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|2,0,1]=4 49 B14R2.1128 C=Cc1cc2ccccc2nc1F 271570a_100011290941_100011158909 [0,1,0,0,0,0|2,0,1]=4 50 B14R2.1128 C=Cc1cc2ccccc2nc1N 271570a_100011290941_100010135404 [0,1,0,0,0,0|2,0,1]=4 51 B14R2.1128 C=Cc1cc2ccccc2nc1O 271570a_100011290941_200009820883 [0,1,0,0,0,0|1,0,2]=4 52 B14R2.1128 C=Cc1cc2ccccc2oc1=O 271570a_100011290941_200000187772 [0,1,0,0,0,0|2,0,0]=3 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|2,0,1]=4 55 B14R2.1128 C=Cc1nc2ccccc2cc1C 271570a_100011290941_100000751756 [0,1,0,0,0,0|2,0,1]=4 56 B14R2.1128 C=Cc1nc2ccccc2cc1O 271570a_100011290941_200000100762 [0,1,0,0,0,0|1,0,1]=3 57 B14R2.1128 CCc1cc2ccccc2nc1O 271570a_203496583355_100011829826 [0,1,0,0,0,0|1,0,2]=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|2,0,1]=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|1,0,1]=3 69 B14R2.1128 COc1cc2ccccc2nc1C 7a_200000079175_200000210301 [0,1,0,0,0,0|1,0,1]=3 70 B14R2.1128 COc1cc2ccccc2nc1Cl 34a_200000100762_200000210301 [0,1,0,0,0,0|1,0,1]=3 71 B14R2.1128 COc1cc2ccccc2nc1Cl 7a_200000100762_200000210301 [0,1,0,0,0,0|1,0,1]=3 72 B14R2.1128 COc1cc2ccccc2oc1=O 7a_100000061252_200000210301 [0,1,0,0,0,0|1,0,0]=2 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|0,0,2]=3 79 B14R2.1128 COc1nc2ccccc2nc1O 271570a_203496583355_100000085300 [0,1,0,0,0,0|1,0,2]=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|1,1,1]=4 88 B14R2.1128 CSc1cc2ccccc2nc1F 62a_100011158909_200000210301 [0,1,0,0,0,0|1,1,1]=4 89 B14R2.1128 CSc1cc2ccccc2nc1F 62a_200000210301_100011158909 [0,1,0,0,0,0|1,1,1]=4 90 B14R2.1128 CSc1cc2ccccc2nc1N 62a_100010135404_200000210301 [0,1,0,0,0,0|1,1,1]=4 91 B14R2.1128 CSc1cc2ccccc2nc1O 62a_200000210301_200009820883 [0,1,0,0,0,0|0,1,2]=4 92 B14R2.1128 CSc1cc2ccccc2oc1=O 62a_200000210301_200000187772 [0,1,0,0,0,0|1,1,0]=3 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|1,1,1]=4 95 B14R2.1128 CSc1nc2ccccc2cc1Br 62a_200000210301_100010072790 [0,1,0,0,0,0|1,1,1]=4 96 B14R2.1128 CSc1nc2ccccc2cc1C 62a_200000210301_100000751756 [0,1,0,0,0,0|1,1,1]=4 97 B14R2.1128 CSc1nc2ccccc2cc1O 62a_200000210301_200000100762 [0,1,0,0,0,0|0,1,1]=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|1,1,1]=4 101 B14R2.1128 Cc1nc2ccccc2cc1O[13CH3] 34a_200000079175_200025704644 [0,1,0,0,0,0|1,0,1]=3 102 B14R2.1128 Cc1nc2ccccc2cc1O[13CH3] 7a_200000079175_200025704644 [0,1,0,0,0,0|1,0,1]=3 103 B14R2.1128 N#Cc1cc2ccccc2nc1O 271570a_203496583355_100015207123 [0,1,0,0,0,0|1,0,2]=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|0,0,2]=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|1,0,1]=3 113 B14R2.1128 [13CH3]Oc1cc2ccccc2nc1Cl 7a_200000100762_200025704644 [0,1,0,0,0,0|1,0,1]=3 114 B14R2.1128 [13CH3]Oc1cc2ccccc2oc1=O 7a_100000061252_200025704644 [0,1,0,0,0,0|1,0,0]=2 115 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|1,1,1]=4 125 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1F 62a_100011158909_200025704644 [0,1,0,0,0,0|1,1,1]=4 126 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1F 62a_200025704644_100011158909 [0,1,0,0,0,0|1,1,1]=4 127 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1N 62a_100010135404_200025704644 [0,1,0,0,0,0|1,1,1]=4 128 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1O 62a_200025704644_200009820883 [0,1,0,0,0,0|0,1,2]=4 129 B14R2.1128 [13CH3]Sc1cc2ccccc2oc1=O 62a_200025704644_200000187772 [0,1,0,0,0,0|1,1,0]=3 130 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|1,1,1]=4 132 B14R2.1128 [13CH3]Sc1nc2ccccc2cc1Br 62a_200025704644_100010072790 [0,1,0,0,0,0|1,1,1]=4 133 B14R2.1128 [13CH3]Sc1nc2ccccc2cc1O 62a_200025704644_200000100762 [0,1,0,0,0,0|0,1,1]=3 134 B14R2.8188 Cc1c(c(nc2c1cccc2)O)O 271570a_203496583355_100009820873 [0,1,0,0,0,0|0,0,2]=3 135 B14R2.8188 Oc1c(cc2ncccc2c1F)F 271570a_203496583355_100010163946 [0,1,0,0,0,0|3,0,0]=4 136 B14R2.8239 CC1Oc2ccc(cc2NC1=O)O 271570a_203496583355_100000745501 [0,1,0,0,0,0|2,0,1]=4 137 B14R2.8239 CN1Cc2cc(ccc2NC1=O)O 271570a_203496583355_100000188780 [0,1,0,0,0,0|2,0,1]=4 138 B14R2.8239 Cc1cc2cc(ccc2nc1N)O 271570a_203496583355_100011830096 [0,1,0,0,0,0|2,0,1]=4 139 B14R2.8239 Nc1cnc2cc(c(cc2c1)O)F 271570a_203496583355_100021278121 [0,1,0,0,0,0|3,0,0]=4 140 B14R2.8239 O=c1[nH]c2cc(cnc2[nH]c1=O)O 271570a_203496583355_100009812773 [0,1,0,0,0,0|2,0,1]=4 141 B14R2.8239 O=c1[nH]c2ccc(cc2[nH]c1=O)O 271570a_203496583355_100011221361 [0,1,0,0,0,0|1,0,1]=3 142 B14R2.8239 Oc1ccc2cc(c(cc2c1)O)O 271570a_203496583355_100010179872 [0,1,0,0,0,0|1,0,1]=3 143 B14R2.8239 Oc1ccc2cc(c(nc2c1)Cl)Br 271570a_203496583355_100135414633 [0,1,0,0,0,0|2,0,1]=4 144 B14R2.28472 CN1Cc2c(cccc2NC1=O)O 271570a_203496583355_200010992586 [0,1,0,0,0,0|2,0,1]=4 145 B14R2.28472 Oc1nc2c(cccc2cc1F)O 271570a_203496583355_100010140959 [0,1,0,0,0,0|1,0,2]=4 146 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,0,1,0,0,0|2,0,0]=3 147 B12R1.43 C/C(=C\c1ccccn1)/C(=O)[13CH3] 1458a_100025712827_200025704644 [0,0,1,0,0,0|3,0,0]=4 148 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 11a_100000106764_100009813364 [0,0,1,0,0,0|1,0,0]=2 149 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 1626a_100000106764_100009813364 [0,0,1,0,0,0|1,0,0]=2 150 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,0,1,0,0,0|2,0,0]=3 151 B12R1.43 C=C(C)C(=O)Cc1ccccn1 1458a_100000185857_100000721315 [0,0,1,0,0,0|3,0,0]=4 152 B12R1.43 C=C(C)C(=O)Cc1cccnc1 1458a_100000185857_100000733263 [0,0,1,0,0,0|3,0,0]=4 153 B12R1.43 C=C(C)C(=O)Cc1ccncc1 1458a_100000185857_100000705612 [0,0,1,0,0,0|3,0,0]=4 154 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [0,0,1,0,0,0|1,0,0]=2 155 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [0,0,1,0,0,0|1,0,0]=2 156 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [0,0,1,0,0,0|1,0,0]=2 157 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 11a_100000106764_100000039160 [0,0,1,0,0,0|1,0,0]=2 158 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 1626a_100000106764_100000039160 [0,0,1,0,0,0|1,0,0]=2 159 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 22a_100000106764_100000039160 [0,0,1,0,0,0|1,0,0]=2 160 B12R1.43 C=C(F)C(=O)Nc1ccccc1 11a_100000106764_100000036797 [0,0,1,0,0,0|1,0,0]=2 161 B12R1.43 C=C(F)C(=O)Nc1ccccc1 1626a_100000106764_100000036797 [0,0,1,0,0,0|1,0,0]=2 162 B12R1.43 C=C(F)C(=O)Nc1ccccc1 22a_100000106764_100000036797 [0,0,1,0,0,0|1,0,0]=2 163 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,0,1,0,0,0|2,0,0]=3 164 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,0,1,0,0,0|2,0,0]=3 165 B12R1.43 CC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_200000210301 [0,0,1,0,0,0|3,0,0]=4 166 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,0,1,0,0,0|2,0,0]=3 167 B12R1.43 CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_200000210301 [0,0,1,0,0,0|3,0,0]=4 168 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,0,1,0,0,0|0,0,2]=3 169 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,0,1,0,0,0|1,0,2]=4 170 B12R1.43 CC(C)C(=O)Nc1ccccc1 11a_100000106764_100000210198 [0,0,1,0,0,0|1,0,2]=4 171 B12R1.43 CC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000210198 [0,0,1,0,0,0|1,0,2]=4 172 B12R1.43 CC(C)C(=O)Nc1ccccc1 22a_100000106764_100000210198 [0,0,1,0,0,0|1,0,2]=4 173 B12R1.43 CC(C)C(=O)Nc1ccccc1 527a_100000106764_100000210198 [0,0,1,0,0,0|1,0,2]=4 174 B12R1.43 CC(F)C(=O)Nc1ccccc1 11a_100000106764_100000062450 [0,0,1,0,0,0|1,0,2]=4 175 B12R1.43 CC(F)C(=O)Nc1ccccc1 1626a_100000106764_100000062450 [0,0,1,0,0,0|1,0,2]=4 176 B12R1.43 CC(F)C(=O)Nc1ccccc1 22a_100000106764_100000062450 [0,0,1,0,0,0|1,0,2]=4 177 B12R1.43 CC(F)C(=O)Nc1ccccc1 527a_100000106764_100000062450 [0,0,1,0,0,0|1,0,2]=4 178 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,0,1,0,0,0|2,0,1]=4 179 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,0,1,0,0,0|2,0,1]=4 180 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,0,1,0,0,0|2,0,1]=4 181 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,0,1,0,0,0|2,0,1]=4 182 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,0,1,0,0,0|2,0,1]=4 183 B12R1.43 CN(C)C(=O)Nc1ccccc1 2430a_100000106764_100102631434 [0,0,1,0,0,0|2,0,1]=4 184 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [0,0,1,0,0,0|1,0,2]=4 185 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,0,1,0,0,0|0,0,2]=3 186 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [0,0,1,0,0,0|1,0,2]=4 187 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,0,1,0,0,0|0,0,2]=3 188 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,0,1,0,0,0|0,0,2]=3 189 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,0,1,0,0,0|1,0,1]=3 190 B12R1.43 NC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813875 [0,0,1,0,0,0|2,0,1]=4 191 B12R1.43 NC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813875 [0,0,1,0,0,0|2,0,1]=4 192 B12R1.43 NC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813875 [0,0,1,0,0,0|2,0,1]=4 193 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813875 [0,0,1,0,0,0|2,0,1]=4 194 B12R1.43 NC(=O)C(F)Sc1ccccc1 62a_100009813875_100000041952 [0,0,1,0,0,0|2,0,1]=4 195 B12R1.43 O=C(Cc1ccccc1)C(O)O 1458a_100000233687_100015291786 [0,0,1,0,0,0|2,0,1]=4 196 B12R1.43 O=C(Nc1ccccc1)C(F)F 11a_100000106764_100000210393 [0,0,1,0,0,0|2,0,1]=4 197 B12R1.43 O=C(Nc1ccccc1)C(F)F 1626a_100000106764_100000210393 [0,0,1,0,0,0|2,0,1]=4 198 B12R1.43 O=C(Nc1ccccc1)C(F)F 22a_100000106764_100000210393 [0,0,1,0,0,0|2,0,1]=4 199 B12R1.43 O=C(Nc1ccccc1)C(F)F 527a_100000106764_100000210393 [0,0,1,0,0,0|2,0,1]=4 200 B12R1.43 O=C(Nc1ccccc1)C(O)O 22a_100000106764_100000233687 [0,0,1,0,0,0|1,0,1]=3 201 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,0,1,0,0,0|2,0,0]=3 202 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,0,1,0,0,0|2,0,0]=3 203 B12R1.43 [13CH3]C(=O)C(=Cc1cccnc1)F 1458a_100000731744_200025704644 [0,0,1,0,0,0|3,0,0]=4 204 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,0,1,0,0,0|0,0,2]=3 205 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,0,1,0,0,0|1,0,2]=4 206 B12R1.169 C=CCc1ccccc1C=CC 271570a_100016259895_100009828059 [0,0,1,0,0,0|3,0,0]=4 207 B12R1.169 CC=Cc1ccccc1NCC 271570a_100016259895_114873767003 [0,0,1,0,0,0|2,0,1]=4 208 B12R1.169 CCSc1ccccc1NC=O 62a_100000210202_200020615051 [0,0,1,0,0,0|2,0,1]=4 209 B12R1.169 CCSc1ccccc1NC=O 62a_200020615051_100000210202 [0,0,1,0,0,0|2,0,1]=4 210 B12R1.169 O=CNc1ccccc1SCF 62a_100015361967_200020615051 [0,0,1,0,0,0|2,0,1]=4 211 B12R1.169 O=CNc1ccccc1SCF 62a_200020615051_100015361967 [0,0,1,0,0,0|2,0,1]=4 212 B12R1.371 C=CC(=O)Cc1ccccc1Br 1458a_100000185746_100000184730 [0,0,1,0,0,0|3,0,0]=4 213 B12R1.371 C=CC(=O)Cc1ccccc1C 1458a_100000185746_100000211839 [0,0,1,0,0,0|2,0,1]=4 214 B12R1.371 C=CC(=O)Cc1ccccc1Cl 1458a_100000185746_100000187162 [0,0,1,0,0,0|3,0,0]=4 215 B12R1.371 C=CC(=O)Cc1ccccc1F 1458a_100000185746_100000187165 [0,0,1,0,0,0|3,0,0]=4 216 B12R1.371 C=CC(=O)Cc1ccccc1I 1458a_100000185746_100011216222 [0,0,1,0,0,0|3,0,0]=4 217 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,0,1,0,0,0|2,0,0]=3 218 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,0,1,0,0,0|1,0,1]=3 219 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,0,1,0,0,0|1,0,1]=3 220 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,0,1,0,0,0|2,0,0]=3 221 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,0,1,0,0,0|2,0,0]=3 222 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,0,1,0,0,0|2,0,0]=3 223 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,0,1,0,0,0|2,0,0]=3 224 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,0,1,0,0,0|2,0,0]=3 225 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,0,1,0,0,0|2,0,0]=3 226 B12R1.371 CCC(=O)Nc1ccccc1Br 11a_100000210017_100000210414 [0,0,1,0,0,0|2,0,1]=4 227 B12R1.371 CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210414 [0,0,1,0,0,0|2,0,1]=4 228 B12R1.371 CCC(=O)Nc1ccccc1C 11a_100015192222_100000210414 [0,0,1,0,0,0|1,0,2]=4 229 B12R1.371 CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210414 [0,0,1,0,0,0|1,0,2]=4 230 B12R1.371 CCC(=O)Nc1ccccc1C 22a_100015192222_100000210414 [0,0,1,0,0,0|1,0,2]=4 231 B12R1.371 CCC(=O)Nc1ccccc1C 527a_100015192222_100000210414 [0,0,1,0,0,0|1,0,2]=4 232 B12R1.371 CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210414 [0,0,1,0,0,0|2,0,1]=4 233 B12R1.371 CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210414 [0,0,1,0,0,0|2,0,1]=4 234 B12R1.371 CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210414 [0,0,1,0,0,0|2,0,1]=4 235 B12R1.371 CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210414 [0,0,1,0,0,0|2,0,1]=4 236 B12R1.371 CCC(=O)Nc1ccccc1F 11a_100000210422_100000210414 [0,0,1,0,0,0|2,0,1]=4 237 B12R1.371 CCC(=O)Nc1ccccc1F 1626a_100000210422_100000210414 [0,0,1,0,0,0|2,0,1]=4 238 B12R1.371 CCC(=O)Nc1ccccc1F 22a_100000210422_100000210414 [0,0,1,0,0,0|2,0,1]=4 239 B12R1.371 CCC(=O)Nc1ccccc1F 527a_100000210422_100000210414 [0,0,1,0,0,0|2,0,1]=4 240 B12R1.371 CCC(=O)Nc1ccccc1I 11a_100000210053_100000210414 [0,0,1,0,0,0|2,0,1]=4 241 B12R1.371 CCC(=O)Nc1ccccc1I 1626a_100000210053_100000210414 [0,0,1,0,0,0|2,0,1]=4 242 B12R1.371 CCC(=O)Nc1ccccc1O 22a_100000185747_100000210414 [0,0,1,0,0,0|2,0,1]=4 243 B12R1.371 CCC(=O)Nc1ccccc1O 271570a_203496583355_100000153536 [0,0,1,0,0,0|2,0,1]=4 244 B12R1.371 CCC(=O)Nc1ccccc1O 527a_100000185747_100000210414 [0,0,1,0,0,0|2,0,1]=4 245 B12R1.371 CNC(=O)Nc1ccccc1Br 2430a_100000210017_100102657272 [0,0,1,0,0,0|3,0,0]=4 246 B12R1.371 CNC(=O)Nc1ccccc1C 2430a_100015192222_100102657272 [0,0,1,0,0,0|2,0,1]=4 247 B12R1.371 CNC(=O)Nc1ccccc1Cl 2430a_100000185783_100102657272 [0,0,1,0,0,0|3,0,0]=4 248 B12R1.371 CNC(=O)Nc1ccccc1F 2430a_100000210422_100102657272 [0,0,1,0,0,0|3,0,0]=4 249 B12R1.371 CNC(=O)Nc1ccccc1I 2430a_100000210053_100102657272 [0,0,1,0,0,0|3,0,0]=4 250 B12R1.371 CNC(=O)Nc1ccccc1O 2430a_100000185747_100102657272 [0,0,1,0,0,0|3,0,0]=4 251 B12R1.371 COC(=O)Nc1ccccc1O 271570a_203496583355_100000216184 [0,0,1,0,0,0|3,0,0]=4 252 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [0,0,1,0,0,0|1,0,2]=4 253 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,0,1,0,0,0|0,0,2]=3 254 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,0,1,0,0,0|0,0,2]=3 255 B12R1.371 O=C(CO)Cc1ccccc1Br 1458a_100000210174_100000184730 [0,0,1,0,0,0|2,0,1]=4 256 B12R1.371 O=C(CO)Cc1ccccc1Cl 1458a_100000210174_100000187162 [0,0,1,0,0,0|2,0,1]=4 257 B12R1.371 O=C(CO)Cc1ccccc1F 1458a_100000210174_100000187165 [0,0,1,0,0,0|2,0,1]=4 258 B12R1.371 O=C(CO)Cc1ccccc1I 1458a_100000210174_100011216222 [0,0,1,0,0,0|2,0,1]=4 259 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,0,1,0,0,0|1,0,1]=3 260 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,0,1,0,0,0|1,0,1]=3 261 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,0,1,0,0,0|1,0,1]=3 262 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,0,1,0,0,0|1,0,1]=3 263 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,0,1,0,0,0|1,0,1]=3 264 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,0,1,0,0,0|1,0,1]=3 265 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)Br 62a_100000210623_100010125443 [0,0,1,0,0,0|2,0,1]=4 266 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000210623 [0,0,1,0,0,0|2,0,1]=4 267 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)F 62a_100000210623_100000723523 [0,0,1,0,0,0|2,0,1]=4 268 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000210623 [0,0,1,0,0,0|2,0,1]=4 269 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)O 62a_100000210623_100009814561 [0,0,1,0,0,0|1,0,1]=3 270 B12R1.385 O=CCSc1c[nH]c(=O)c(c1)O 62a_200015260668_100009814561 [0,0,1,0,0,0|2,0,1]=4 271 B12R1.448 C=Cc1cc(c(cc1C=O)O)C 271570a_100011290941_100010186689 [0,0,1,0,0,0|3,0,0]=4 272 B12R1.1123 C=C=Cc1cc(c(=O)[nH]c1C)N 271570a_100015277604_100010126670 [0,0,1,0,0,0|1,0,2]=4 273 B12R1.1123 CC=Cc1cc(c(=O)[nH]c1C)N 271570a_100016259895_100010126670 [0,0,1,0,0,0|1,0,2]=4 274 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,0,0,0,1,0|2,0,0]=3 275 B12R2.18 Cc1nc2ccccn2c1O 271570a_203496583355_100009816614 [0,0,0,0,1,0|2,0,1]=4 276 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,0,0,0,1,0|2,0,0]=3 277 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,0,0,0,1,0|2,0,0]=3 278 B12R2.18 Cn1c(nc2c1cccc2)O 271570a_203496583355_200000239431 [0,0,0,0,1,0|3,0,0]=4 279 B12R2.18 Cn1nc2ccccc2c1O 271570a_203496583355_100010163699 [0,0,0,0,1,0|2,0,1]=4 280 B12R2.100 Cc1cc2[nH]ccc2cc1O 271570a_203496583355_100010199648 [0,0,0,0,1,0|3,0,0]=4 281 B12R2.100 Cc1cc2cc[nH]c2cc1O 271570a_203496583355_100010199660 [0,0,0,0,1,0|3,0,0]=4 282 B12R2.100 Cc1cc2ccsc2cc1O 271570a_203496583355_100010762285 [0,0,0,0,1,0|3,0,0]=4 283 B12R2.100 Cc1nc2[nH]ccc2cc1O 271570a_203496583355_100010212563 [0,0,0,0,1,0|2,0,1]=4 284 B12R2.100 Nc1cc2[nH]ccc2cc1O 271570a_203496583355_100010212544 [0,0,0,0,1,0|3,0,0]=4 285 B12R2.100 Nc1nc2[nH]ccc2cc1O 271570a_203496583355_100010168486 [0,0,0,0,1,0|2,0,1]=4 286 B12R2.100 Oc1cc2[nH]ccc2cc1Br 271570a_203496583355_100000703010 [0,0,0,0,1,0|3,0,0]=4 287 B12R2.100 Oc1cc2[nH]ccc2cc1F 271570a_203496583355_100009817181 [0,0,0,0,1,0|3,0,0]=4 288 B12R2.100 Oc1cc2cc[nH]c2cc1F 271570a_203496583355_100000731065 [0,0,0,0,1,0|3,0,0]=4 289 B12R2.100 Oc1cc2cc[nH]c2nc1F 271570a_203496583355_100010202306 [0,0,0,0,1,0|2,0,1]=4 290 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [1,0,1,0,0,0|1,0,0]=3 291 B11R1.40 C=CC(=O)Cc1ccccn1 1458a_100000185746_100000721315 [1,0,1,0,0,0|2,0,0]=4 292 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [1,0,1,0,0,0|2,0,0]=4 293 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [1,0,1,0,0,0|2,0,0]=4 294 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [1,0,1,0,0,0|0,0,0]=2 295 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [1,0,1,0,0,0|0,0,0]=2 296 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [1,0,1,0,0,0|0,0,2]=4 297 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [1,0,1,0,0,0|0,0,2]=4 298 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [1,0,1,0,0,0|0,0,2]=4 299 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [1,0,1,0,0,0|0,0,2]=4 300 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [1,0,1,0,0,0|1,0,1]=4 301 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [1,0,1,0,0,0|1,0,1]=4 302 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [1,0,1,0,0,0|0,0,1]=3 303 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [1,0,1,0,0,0|0,0,1]=3 304 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [1,0,1,0,0,0|1,0,1]=4 305 B11R1.91 C=C(F)CNc1ccccc1 34a_100000106764_100009893438 [1,0,1,0,0,0|1,0,1]=4 306 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,1,0,0,0|1,0,0]=3 307 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [1,0,1,0,0,0|2,0,0]=4 308 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [1,0,1,0,0,0|2,0,0]=4 309 B11R1.91 CC(=O)C=Cc1ccncc1 1458a_100000682801_200000210301 [1,0,1,0,0,0|2,0,0]=4 310 B11R1.91 NC(=O)CNc1ccccc1 34a_100000106764_100000187820 [1,0,1,0,0,0|1,0,1]=4 311 B11R1.91 NC(=O)COc1ccccc1 34a_100000210340_100000187820 [1,0,1,0,0,0|1,0,1]=4 312 B11R1.91 NC(=O)COc1ccccc1 7a_100000210340_100000187820 [1,0,1,0,0,0|1,0,1]=4 313 B11R1.91 NC(=O)CSc1ccccc1 62a_100000719477_100000747473 [1,0,1,0,0,0|1,0,1]=4 314 B11R1.91 NC(=O)CSc1ccccc1 62a_100000747473_100000041952 [1,0,1,0,0,0|1,0,1]=4 315 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,1,0,0,0|1,0,0]=3 316 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [1,0,1,0,0,0|2,0,0]=4 317 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [1,0,1,0,0,0|2,0,0]=4 318 B11R1.91 [13CH3]C(=O)C=Cc1ccncc1 1458a_100000682801_200025704644 [1,0,1,0,0,0|2,0,0]=4 319 B11R1.41 C=C=Cc1ccccc1C=O 271570a_100015277604_100000211189 [1,0,1,0,0,0|1,0,1]=4 320 B11R1.41 C=CCc1ccccc1C=C 271570a_100011290941_100009828059 [1,0,1,0,0,0|2,0,0]=4 321 B11R1.41 C=Cc1ccccc1NCC 271570a_100011290941_114873767003 [1,0,1,0,0,0|1,0,1]=4 322 B11R1.41 C=Cc1ccccc1NCC 34a_100012022501_100000210202 [1,0,1,0,0,0|1,0,1]=4 323 B11R1.41 C=Cc1ccccc1NCF 34a_100012022501_100015361967 [1,0,1,0,0,0|1,0,1]=4 324 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [1,0,1,0,0,0|1,0,0]=3 325 B11R1.41 CC=Cc1ccccc1NC 271570a_100016259895_100020606079 [1,0,1,0,0,0|1,0,1]=4 326 B11R1.41 CC=Cc1ccccc1NN 271570a_100016259895_100000241748 [1,0,1,0,0,0|2,0,0]=4 327 B11R1.41 CC=Cc1cccnc1C=O 271570a_100016259895_100011934733 [1,0,1,0,0,0|2,0,0]=4 328 B11R1.41 CC=Cc1ccncc1C=O 271570a_100016259895_100000050567 [1,0,1,0,0,0|2,0,0]=4 329 B11R1.41 CC=Cc1cnccc1C=O 271570a_100016259895_100011934409 [1,0,1,0,0,0|2,0,0]=4 330 B11R1.41 CC=Cc1ncccc1C=O 271570a_100016259895_100009816751 [1,0,1,0,0,0|2,0,0]=4 331 B11R1.41 CSc1ccccc1NC=O 62a_200000210301_200020615051 [1,0,1,0,0,0|1,0,1]=4 332 B11R1.41 CSc1ccccc1NC=O 62a_200020615051_200000210301 [1,0,1,0,0,0|1,0,1]=4 333 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200020615051_200025704644 [1,0,1,0,0,0|1,0,1]=4 334 B11R1.41 [13CH3]Sc1ccccc1NC=O 62a_200025704644_200020615051 [1,0,1,0,0,0|1,0,1]=4 335 B11R1.17 Nc1ccccc1OCC=O 34a_100000185747_200009817547 [1,0,1,0,0,0|1,0,1]=4 336 B11R1.17 Nc1ccccc1OCC=O 7a_100000185747_200015260668 [1,0,1,0,0,0|1,0,1]=4 337 B11R1.17 Nc1ccccc1SCC=O 62a_100000210017_200015260668 [1,0,1,0,0,0|1,0,1]=4 338 B11R1.17 Nc1ccccc1SCC=O 62a_200015260668_100000210017 [1,0,1,0,0,0|1,0,1]=4 339 B11R1.86 CC(=Cc1ccccc1N)C 271570a_100102525489_100000210017 [1,0,1,0,0,0|1,0,1]=4 340 B11R1.86 CC(=O)Nc1ccccc1Br 11a_100000210017_100015343762 [1,0,1,0,0,0|1,0,1]=4 341 B11R1.86 CC(=O)Nc1ccccc1Br 1626a_100000210017_100015343762 [1,0,1,0,0,0|1,0,1]=4 342 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [1,0,1,0,0,0|0,0,2]=4 343 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [1,0,1,0,0,0|0,0,2]=4 344 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [1,0,1,0,0,0|0,0,2]=4 345 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [1,0,1,0,0,0|0,0,2]=4 346 B11R1.86 CC(=O)Nc1ccccc1Cl 11a_100000185783_100015343762 [1,0,1,0,0,0|1,0,1]=4 347 B11R1.86 CC(=O)Nc1ccccc1Cl 1626a_100000185783_100015343762 [1,0,1,0,0,0|1,0,1]=4 348 B11R1.86 CC(=O)Nc1ccccc1Cl 22a_100000185783_100000070787 [1,0,1,0,0,0|1,0,1]=4 349 B11R1.86 CC(=O)Nc1ccccc1Cl 527a_100000185783_100103153847 [1,0,1,0,0,0|1,0,1]=4 350 B11R1.86 CC(=O)Nc1ccccc1F 11a_100000210422_100015343762 [1,0,1,0,0,0|1,0,1]=4 351 B11R1.86 CC(=O)Nc1ccccc1F 1626a_100000210422_100015343762 [1,0,1,0,0,0|1,0,1]=4 352 B11R1.86 CC(=O)Nc1ccccc1F 22a_100000210422_100000070787 [1,0,1,0,0,0|1,0,1]=4 353 B11R1.86 CC(=O)Nc1ccccc1F 527a_100000210422_100103153847 [1,0,1,0,0,0|1,0,1]=4 354 B11R1.86 CC(=O)Nc1ccccc1I 11a_100000210053_100015343762 [1,0,1,0,0,0|1,0,1]=4 355 B11R1.86 CC(=O)Nc1ccccc1I 1626a_100000210053_100015343762 [1,0,1,0,0,0|1,0,1]=4 356 B11R1.86 CC(=O)Nc1ccccc1O 22a_100000185747_100000070787 [1,0,1,0,0,0|1,0,1]=4 357 B11R1.86 CC(=O)Nc1ccccc1O 271570a_203496583355_100000153524 [1,0,1,0,0,0|1,0,1]=4 358 B11R1.86 CC(=O)Nc1ccccc1O 527a_100000185747_100103153847 [1,0,1,0,0,0|1,0,1]=4 359 B11R1.86 NC(=O)Nc1ccccc1O 271570a_203496583355_100000742221 [1,0,1,0,0,0|2,0,0]=4 360 B11R1.1 C=CCOc1ccc(=O)[nH]c1 34a_100000075641_100015514636 [1,0,1,0,0,0|1,0,1]=4 361 B11R1.1 C=CCSc1ccc(=O)[nH]c1 62a_100000210623_100000212171 [1,0,1,0,0,0|1,0,1]=4 362 B11R1.1 C=CCSc1ccc(=O)[nH]c1 62a_100000212171_100000210623 [1,0,1,0,0,0|1,0,1]=4 363 B11R1.24 C=CCOc1cccc(=O)[nH]1 34a_100000033347_100015514636 [1,0,1,0,0,0|1,0,1]=4 364 B11R1.24 C=CCSc1cccc(=O)[nH]1 62a_100000210623_100000752884 [1,0,1,0,0,0|1,0,1]=4 365 B11R1.192 C=C=Cc1c[nH]c(=O)c(c1)Br 271570a_100015277604_100010125443 [1,0,1,0,0,0|1,0,1]=4 366 B11R1.192 C=C=Cc1c[nH]c(=O)c(c1)F 271570a_100015277604_100000723523 [1,0,1,0,0,0|1,0,1]=4 367 B11R1.192 C=C=Cc1c[nH]c(=O)c(c1)O 271570a_100015277604_100009814561 [1,0,1,0,0,0|0,0,1]=3 368 B11R1.192 CC=Cc1c[nH]c(=O)c(c1)Br 271570a_100016259895_100010125443 [1,0,1,0,0,0|1,0,1]=4 369 B11R1.192 CC=Cc1c[nH]c(=O)c(c1)F 271570a_100016259895_100000723523 [1,0,1,0,0,0|1,0,1]=4 370 B11R1.192 CC=Cc1c[nH]c(=O)c(c1)O 271570a_100016259895_100009814561 [1,0,1,0,0,0|0,0,1]=3 371 B11R1.37 C=Cc1cc(ccc1C=O)O 271570a_100011290941_100011236494 [1,0,1,0,0,0|2,0,0]=4 372 B11R1.37 C=Cc1ccc(=O)[nH]c1C#N 271570a_100011290941_100010559384 [1,0,1,0,0,0|1,0,1]=4 373 B11R1.37 C=Cc1ccc(cc1C=O)O 271570a_100011290941_100000690577 [1,0,1,0,0,0|2,0,0]=4 374 B11R1.277 C=Cc1cc(c(=O)[nH]c1C)N 271570a_100011290941_100010126670 [1,0,1,0,0,0|1,0,1]=4 375 B11R1.81 C=C=Cc1ccc(=O)[nH]c1N 271570a_100015277604_100009884077 [1,0,1,0,0,0|1,0,1]=4 376 B11R1.81 CC=Cc1ccc(=O)[nH]c1N 271570a_100016259895_100009884077 [1,0,1,0,0,0|1,0,1]=4 377 B13R1.133 C/C(=C\c1ccc(cc1)F)/C(=O)[13CH3] 1458a_100053117043_200025704644 [0,1,1,0,0,0|2,0,0]=4 378 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100009813364 [0,1,1,0,0,0|1,0,0]=3 379 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100009813364 [0,1,1,0,0,0|1,0,0]=3 380 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)C 11a_100000124888_100009813364 [0,1,1,0,0,0|1,0,0]=3 381 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100009813364 [0,1,1,0,0,0|1,0,0]=3 382 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100009813364 [0,1,1,0,0,0|1,0,0]=3 383 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100009813364 [0,1,1,0,0,0|1,0,0]=3 384 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)F 11a_100000185862_100009813364 [0,1,1,0,0,0|1,0,0]=3 385 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100009813364 [0,1,1,0,0,0|1,0,0]=3 386 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)I 11a_100000185761_100009813364 [0,1,1,0,0,0|1,0,0]=3 387 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100009813364 [0,1,1,0,0,0|1,0,0]=3 388 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)Br 1458a_100000185857_100000189115 [0,1,1,0,0,0|2,0,0]=4 389 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)C 1458a_100000185857_100000210814 [0,1,1,0,0,0|2,0,0]=4 390 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)Cl 1458a_100000185857_100000694040 [0,1,1,0,0,0|2,0,0]=4 391 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)F 1458a_100000185857_100000198546 [0,1,1,0,0,0|2,0,0]=4 392 B13R1.133 C=C(C)C(=O)Cc1ccc(cc1)I 1458a_100000185857_100000189116 [0,1,1,0,0,0|2,0,0]=4 393 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000185857 [0,1,1,0,0,0|1,0,0]=3 394 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185857 [0,1,1,0,0,0|1,0,0]=3 395 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185857 [0,1,1,0,0,0|1,0,0]=3 396 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000185857 [0,1,1,0,0,0|1,0,0]=3 397 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185857 [0,1,1,0,0,0|1,0,0]=3 398 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 22a_100000124888_100000185857 [0,1,1,0,0,0|1,0,0]=3 399 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000185857 [0,1,1,0,0,0|1,0,0]=3 400 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185857 [0,1,1,0,0,0|1,0,0]=3 401 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185857 [0,1,1,0,0,0|1,0,0]=3 402 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000185857 [0,1,1,0,0,0|1,0,0]=3 403 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185857 [0,1,1,0,0,0|1,0,0]=3 404 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000185857 [0,1,1,0,0,0|1,0,0]=3 405 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000185857 [0,1,1,0,0,0|1,0,0]=3 406 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185857 [0,1,1,0,0,0|1,0,0]=3 407 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000185857 [0,1,1,0,0,0|1,0,0]=3 408 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000185857 [0,1,1,0,0,0|1,0,0]=3 409 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000039160 [0,1,1,0,0,0|1,0,0]=3 410 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000039160 [0,1,1,0,0,0|1,0,0]=3 411 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000039160 [0,1,1,0,0,0|1,0,0]=3 412 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000039160 [0,1,1,0,0,0|1,0,0]=3 413 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000039160 [0,1,1,0,0,0|1,0,0]=3 414 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)C 22a_100000124888_100000039160 [0,1,1,0,0,0|1,0,0]=3 415 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000039160 [0,1,1,0,0,0|1,0,0]=3 416 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000039160 [0,1,1,0,0,0|1,0,0]=3 417 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000039160 [0,1,1,0,0,0|1,0,0]=3 418 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000039160 [0,1,1,0,0,0|1,0,0]=3 419 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000039160 [0,1,1,0,0,0|1,0,0]=3 420 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000039160 [0,1,1,0,0,0|1,0,0]=3 421 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000039160 [0,1,1,0,0,0|1,0,0]=3 422 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000039160 [0,1,1,0,0,0|1,0,0]=3 423 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000039160 [0,1,1,0,0,0|1,0,0]=3 424 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000039160 [0,1,1,0,0,0|1,0,0]=3 425 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000036797 [0,1,1,0,0,0|1,0,0]=3 426 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000036797 [0,1,1,0,0,0|1,0,0]=3 427 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000036797 [0,1,1,0,0,0|1,0,0]=3 428 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000036797 [0,1,1,0,0,0|1,0,0]=3 429 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000036797 [0,1,1,0,0,0|1,0,0]=3 430 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)C 22a_100000124888_100000036797 [0,1,1,0,0,0|1,0,0]=3 431 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000036797 [0,1,1,0,0,0|1,0,0]=3 432 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000036797 [0,1,1,0,0,0|1,0,0]=3 433 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000036797 [0,1,1,0,0,0|1,0,0]=3 434 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000036797 [0,1,1,0,0,0|1,0,0]=3 435 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000036797 [0,1,1,0,0,0|1,0,0]=3 436 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000036797 [0,1,1,0,0,0|1,0,0]=3 437 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000036797 [0,1,1,0,0,0|1,0,0]=3 438 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000036797 [0,1,1,0,0,0|1,0,0]=3 439 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000036797 [0,1,1,0,0,0|1,0,0]=3 440 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000036797 [0,1,1,0,0,0|1,0,0]=3 441 B13R1.133 CC(=O)/C(=C/c1ccc(cc1)F)/C 1458a_100053117043_200000210301 [0,1,1,0,0,0|2,0,0]=4 442 B13R1.133 CC(=O)C(=O)Nc1ccc(cc1)C 1458a_100000189662_200000210301 [0,1,1,0,0,0|0,0,2]=4 443 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000717761 [0,1,1,0,0,0|0,0,2]=4 444 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000717761 [0,1,1,0,0,0|0,0,2]=4 445 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000717761 [0,1,1,0,0,0|0,0,2]=4 446 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000717761 [0,1,1,0,0,0|0,0,2]=4 447 B13R1.133 C[C@@H](O)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000717761 [0,1,1,0,0,0|0,0,2]=4 448 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_217856618621 [0,1,1,0,0,0|0,0,2]=4 449 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_217856618621 [0,1,1,0,0,0|0,0,2]=4 450 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_217856618621 [0,1,1,0,0,0|0,0,2]=4 451 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_217856618621 [0,1,1,0,0,0|0,0,2]=4 452 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)F 1626a_100000185862_217856618621 [0,1,1,0,0,0|0,0,2]=4 453 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)F 22a_100000185862_217856618621 [0,1,1,0,0,0|0,0,2]=4 454 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)I 1626a_100000185761_217856618621 [0,1,1,0,0,0|0,0,2]=4 455 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)I 22a_100000185761_217856618621 [0,1,1,0,0,0|0,0,2]=4 456 B13R1.133 C[C@H](O)C(=O)Nc1ccc(cc1)O 22a_100000185829_217856618621 [0,1,1,0,0,0|0,0,2]=4 457 B13R1.133 Cc1ccc(cc1)NC(=O)C(=O)N 22a_100000124888_100011215815 [0,1,1,0,0,0|1,0,1]=4 458 B13R1.133 Cc1ccc(cc1)NC(=O)C(=O)[13CH3] 1458a_100000189662_200025704644 [0,1,1,0,0,0|0,0,2]=4 459 B13R1.133 Cc1ccc(cc1)NC(=O)C(O)O 22a_100000124888_100000233687 [0,1,1,0,0,0|1,0,1]=4 460 B13R1.133 Cc1ccc(cc1)NC(=O)[C@@H](C)O 22a_100000124888_100000717761 [0,1,1,0,0,0|0,0,2]=4 461 B13R1.133 Cc1ccc(cc1)NC(=O)[C@H](C)O 1626a_100000124888_217856618621 [0,1,1,0,0,0|0,0,2]=4 462 B13R1.133 Cc1ccc(cc1)NC(=O)[C@H](C)O 22a_100000124888_217856618621 [0,1,1,0,0,0|0,0,2]=4 463 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100011215815 [0,1,1,0,0,0|1,0,1]=4 464 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100011215815 [0,1,1,0,0,0|1,0,1]=4 465 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)F 22a_100000185862_100011215815 [0,1,1,0,0,0|1,0,1]=4 466 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)I 22a_100000185761_100011215815 [0,1,1,0,0,0|1,0,1]=4 467 B13R1.133 NC(=O)C(=O)Nc1ccc(cc1)O 22a_100000185829_100011215815 [0,1,1,0,0,0|1,0,1]=4 468 B13R1.133 O=C(Nc1ccc(cc1)Br)C(O)O 22a_100000210018_100000233687 [0,1,1,0,0,0|1,0,1]=4 469 B13R1.133 O=C(Nc1ccc(cc1)Cl)C(O)O 22a_100000210052_100000233687 [0,1,1,0,0,0|1,0,1]=4 470 B13R1.133 O=C(Nc1ccc(cc1)F)C(O)O 22a_100000185862_100000233687 [0,1,1,0,0,0|1,0,1]=4 471 B13R1.133 O=C(Nc1ccc(cc1)I)C(O)O 22a_100000185761_100000233687 [0,1,1,0,0,0|1,0,1]=4 472 B13R1.133 O=C(Nc1ccc(cc1)O)C(O)O 22a_100000185829_100000233687 [0,1,1,0,0,0|1,0,1]=4 473 B13R1.135 C/C(=C\c1ccccc1)/C(=O)CF 1458a_100016990649_100015361967 [0,1,1,0,0,0|2,0,0]=4 474 B13R1.135 C/C=C(\C)/C(=O)Cc1ccccc1 1458a_100020587367_100015291786 [0,1,1,0,0,0|2,0,0]=4 475 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 11a_100000106764_100020587367 [0,1,1,0,0,0|1,0,0]=3 476 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 1626a_100000106764_100020587367 [0,1,1,0,0,0|1,0,0]=3 477 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 22a_100000106764_100020587367 [0,1,1,0,0,0|1,0,0]=3 478 B13R1.135 C=C(CO)C(=O)Nc1ccccc1 22a_100000106764_200000705526 [0,1,1,0,0,0|0,0,0]=2 479 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 11a_106832991635_100000066491 [0,1,1,0,0,0|1,0,1]=4 480 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 1626a_100102657272_100000066491 [0,1,1,0,0,0|1,0,1]=4 481 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 11a_100000106764_100011216780 [0,1,1,0,0,0|1,0,1]=4 482 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 1626a_100000106764_100011216780 [0,1,1,0,0,0|1,0,1]=4 483 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 22a_100000106764_100011216780 [0,1,1,0,0,0|1,0,1]=4 484 B13R1.135 C=CC(C)C(=O)Nc1ccccc1 527a_100000106764_100011216780 [0,1,1,0,0,0|1,0,1]=4 485 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_100000210202 [0,1,1,0,0,0|2,0,0]=4 486 B13R1.135 CCC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100000210202 [0,1,1,0,0,0|2,0,0]=4 487 B13R1.135 CCC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_100000210202 [0,1,1,0,0,0|2,0,0]=4 488 B13R1.135 CCC(=O)C(=O)Nc1ccccc1 1458a_100000738435_100000210202 [0,1,1,0,0,0|0,0,2]=4 489 B13R1.135 CCC(O)C(=O)Nc1ccccc1 22a_100000106764_100011196387 [0,1,1,0,0,0|0,0,2]=4 490 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 11a_106832991635_100016990649 [0,1,1,0,0,0|1,0,0]=3 491 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 1626a_100102657272_100016990649 [0,1,1,0,0,0|1,0,0]=3 492 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 527a_100102657272_100016990649 [0,1,1,0,0,0|1,0,0]=3 493 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 11a_106832991635_200020598536 [0,1,1,0,0,0|1,0,0]=3 494 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100102657272_200020598536 [0,1,1,0,0,0|1,0,0]=3 495 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100102657272_200020598536 [0,1,1,0,0,0|1,0,0]=3 496 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100102657272_200020598536 [0,1,1,0,0,0|1,0,0]=3 497 B13R1.135 CNC(=O)/C(=C/c1ccccn1)/C 11a_106832991635_100025712827 [0,1,1,0,0,0|2,0,0]=4 498 B13R1.135 CNC(=O)/C(=C/c1ccccn1)/C 1626a_100102657272_100025712827 [0,1,1,0,0,0|2,0,0]=4 499 B13R1.135 CNC(=O)/C(=C/c1ccccn1)/C 527a_100102657272_100025712827 [0,1,1,0,0,0|2,0,0]=4 500 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 11a_106832991635_100020889036 [0,1,1,0,0,0|1,0,0]=3 501 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 527a_100102657272_100020889036 [0,1,1,0,0,0|1,0,0]=3 502 B13R1.135 CNC(=O)C(=Cc1cccnc1)F 11a_106832991635_100000731744 [0,1,1,0,0,0|2,0,0]=4 503 B13R1.135 CNC(=O)C(=Cc1cccnc1)F 240690a_100102657272_100000731744 [0,1,1,0,0,0|2,0,0]=4 504 B13R1.135 CNC(=O)C(=Cc1cccnc1)F 527a_100102657272_100000731744 [0,1,1,0,0,0|2,0,0]=4 505 B13R1.135 CNC(=O)C(=O)Cc1ccccc1 1458a_100011218921_100015291786 [0,1,1,0,0,0|0,0,2]=4 506 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100011218921 [0,1,1,0,0,0|0,0,2]=4 507 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011218921 [0,1,1,0,0,0|0,0,2]=4 508 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 240690a_100102657272_100000738435 [0,1,1,0,0,0|0,0,2]=4 509 B13R1.135 CNC(=O)C(=O)Nc1ccccc1 527a_100000106764_100011218921 [0,1,1,0,0,0|0,0,2]=4 510 B13R1.135 CNC(=O)[C@H](O)Cc1ccccc1 240690a_100102657272_100009816399 [0,1,1,0,0,0|0,0,2]=4 511 B13R1.135 COC(=O)C(=O)Nc1ccccc1 11a_100000106764_100000024059 [0,1,1,0,0,0|1,0,0]=3 512 B13R1.135 COC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100000024059 [0,1,1,0,0,0|1,0,0]=3 513 B13R1.135 COC(=O)C(=O)Nc1ccccc1 527a_100000106764_100000024059 [0,1,1,0,0,0|1,0,0]=3 514 B13R1.135 COC(C)C(=O)Nc1ccccc1 11a_100000106764_100000743197 [0,1,1,0,0,0|0,0,2]=4 515 B13R1.135 COC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000743197 [0,1,1,0,0,0|0,0,2]=4 516 B13R1.135 COC(C)C(=O)Nc1ccccc1 22a_100000106764_100000743197 [0,1,1,0,0,0|0,0,2]=4 517 B13R1.135 COC(C)C(=O)Nc1ccccc1 34a_100138415774_100000183986 [0,1,1,0,0,0|0,0,2]=4 518 B13R1.135 COC(C)C(=O)Nc1ccccc1 527a_100000106764_100000743197 [0,1,1,0,0,0|0,0,2]=4 519 B13R1.135 O=C(CF)/C(=C/c1ccccc1)/Cl 1458a_200020598536_100015361967 [0,1,1,0,0,0|2,0,0]=4 520 B13R1.135 O=C(CF)/C(=C\c1ccccc1)/F 1458a_100020889036_100015361967 [0,1,1,0,0,0|2,0,0]=4 521 B13R1.135 O=C(CF)C(=O)Nc1ccccc1 1458a_100000738435_100015361967 [0,1,1,0,0,0|0,0,2]=4 522 B13R1.135 O=C(Nc1ccccc1)C(O)CO 22a_100000106764_100011215603 [0,1,1,0,0,0|0,0,2]=4 523 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Br 11a_100000210019_100009813364 [0,1,1,0,0,0|1,0,0]=3 524 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100009813364 [0,1,1,0,0,0|1,0,0]=3 525 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)C 11a_100000188690_100009813364 [0,1,1,0,0,0|1,0,0]=3 526 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)C 1626a_100000188690_100009813364 [0,1,1,0,0,0|1,0,0]=3 527 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100009813364 [0,1,1,0,0,0|1,0,0]=3 528 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100009813364 [0,1,1,0,0,0|1,0,0]=3 529 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)F 11a_100000210047_100009813364 [0,1,1,0,0,0|1,0,0]=3 530 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)F 1626a_100000210047_100009813364 [0,1,1,0,0,0|1,0,0]=3 531 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)I 11a_100000211102_100009813364 [0,1,1,0,0,0|1,0,0]=3 532 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)I 1626a_100000211102_100009813364 [0,1,1,0,0,0|1,0,0]=3 533 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)O 1626a_100000210217_100009813364 [0,1,1,0,0,0|1,0,0]=3 534 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)Br 1458a_100000185857_100000211773 [0,1,1,0,0,0|2,0,0]=4 535 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)C 1458a_100000185857_100000211840 [0,1,1,0,0,0|2,0,0]=4 536 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)Cl 1458a_100000185857_100000181238 [0,1,1,0,0,0|2,0,0]=4 537 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)F 1458a_100000185857_100000230114 [0,1,1,0,0,0|2,0,0]=4 538 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)I 1458a_100000185857_100011218688 [0,1,1,0,0,0|2,0,0]=4 539 B13R1.148 C=C(C)C(=O)Cc1cccc(c1)O 1458a_100000185857_100011660834 [0,1,1,0,0,0|2,0,0]=4 540 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000185857 [0,1,1,0,0,0|1,0,0]=3 541 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185857 [0,1,1,0,0,0|1,0,0]=3 542 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000185857 [0,1,1,0,0,0|1,0,0]=3 543 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 11a_100000188690_100000185857 [0,1,1,0,0,0|1,0,0]=3 544 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 1626a_100000188690_100000185857 [0,1,1,0,0,0|1,0,0]=3 545 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 22a_100000188690_100000185857 [0,1,1,0,0,0|1,0,0]=3 546 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000185857 [0,1,1,0,0,0|1,0,0]=3 547 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185857 [0,1,1,0,0,0|1,0,0]=3 548 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185857 [0,1,1,0,0,0|1,0,0]=3 549 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 11a_100000210047_100000185857 [0,1,1,0,0,0|1,0,0]=3 550 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000185857 [0,1,1,0,0,0|1,0,0]=3 551 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 22a_100000210047_100000185857 [0,1,1,0,0,0|1,0,0]=3 552 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I 11a_100000211102_100000185857 [0,1,1,0,0,0|1,0,0]=3 553 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000185857 [0,1,1,0,0,0|1,0,0]=3 554 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I 22a_100000211102_100000185857 [0,1,1,0,0,0|1,0,0]=3 555 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000185857 [0,1,1,0,0,0|1,0,0]=3 556 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)O 22a_100000210217_100000185857 [0,1,1,0,0,0|1,0,0]=3 557 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000039160 [0,1,1,0,0,0|1,0,0]=3 558 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000039160 [0,1,1,0,0,0|1,0,0]=3 559 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000039160 [0,1,1,0,0,0|1,0,0]=3 560 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)C 11a_100000188690_100000039160 [0,1,1,0,0,0|1,0,0]=3 561 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)C 1626a_100000188690_100000039160 [0,1,1,0,0,0|1,0,0]=3 562 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)C 22a_100000188690_100000039160 [0,1,1,0,0,0|1,0,0]=3 563 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000039160 [0,1,1,0,0,0|1,0,0]=3 564 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000039160 [0,1,1,0,0,0|1,0,0]=3 565 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000039160 [0,1,1,0,0,0|1,0,0]=3 566 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)F 11a_100000210047_100000039160 [0,1,1,0,0,0|1,0,0]=3 567 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000039160 [0,1,1,0,0,0|1,0,0]=3 568 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)F 22a_100000210047_100000039160 [0,1,1,0,0,0|1,0,0]=3 569 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)I 11a_100000211102_100000039160 [0,1,1,0,0,0|1,0,0]=3 570 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000039160 [0,1,1,0,0,0|1,0,0]=3 571 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)I 22a_100000211102_100000039160 [0,1,1,0,0,0|1,0,0]=3 572 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000039160 [0,1,1,0,0,0|1,0,0]=3 573 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)O 22a_100000210217_100000039160 [0,1,1,0,0,0|1,0,0]=3 574 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000036797 [0,1,1,0,0,0|1,0,0]=3 575 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000036797 [0,1,1,0,0,0|1,0,0]=3 576 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000036797 [0,1,1,0,0,0|1,0,0]=3 577 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)C 11a_100000188690_100000036797 [0,1,1,0,0,0|1,0,0]=3 578 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)C 1626a_100000188690_100000036797 [0,1,1,0,0,0|1,0,0]=3 579 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)C 22a_100000188690_100000036797 [0,1,1,0,0,0|1,0,0]=3 580 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000036797 [0,1,1,0,0,0|1,0,0]=3 581 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000036797 [0,1,1,0,0,0|1,0,0]=3 582 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000036797 [0,1,1,0,0,0|1,0,0]=3 583 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)F 11a_100000210047_100000036797 [0,1,1,0,0,0|1,0,0]=3 584 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000036797 [0,1,1,0,0,0|1,0,0]=3 585 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)F 22a_100000210047_100000036797 [0,1,1,0,0,0|1,0,0]=3 586 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)I 11a_100000211102_100000036797 [0,1,1,0,0,0|1,0,0]=3 587 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000036797 [0,1,1,0,0,0|1,0,0]=3 588 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)I 22a_100000211102_100000036797 [0,1,1,0,0,0|1,0,0]=3 589 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000036797 [0,1,1,0,0,0|1,0,0]=3 590 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)O 22a_100000210217_100000036797 [0,1,1,0,0,0|1,0,0]=3 591 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_200000210301 [0,1,1,0,0,0|0,0,2]=4 592 B13R1.148 CC(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_200000210301 [0,1,1,0,0,0|0,0,2]=4 593 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000717761 [0,1,1,0,0,0|0,0,2]=4 594 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000717761 [0,1,1,0,0,0|0,0,2]=4 595 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)F 22a_100000210047_100000717761 [0,1,1,0,0,0|0,0,2]=4 596 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)I 22a_100000211102_100000717761 [0,1,1,0,0,0|0,0,2]=4 597 B13R1.148 C[C@@H](O)C(=O)Nc1cccc(c1)O 22a_100000210217_100000717761 [0,1,1,0,0,0|0,0,2]=4 598 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)Br 1626a_100000210019_217856618621 [0,1,1,0,0,0|0,0,2]=4 599 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)Br 22a_100000210019_217856618621 [0,1,1,0,0,0|0,0,2]=4 600 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_217856618621 [0,1,1,0,0,0|0,0,2]=4 601 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)Cl 22a_100000185859_217856618621 [0,1,1,0,0,0|0,0,2]=4 602 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)F 1626a_100000210047_217856618621 [0,1,1,0,0,0|0,0,2]=4 603 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)F 22a_100000210047_217856618621 [0,1,1,0,0,0|0,0,2]=4 604 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)I 1626a_100000211102_217856618621 [0,1,1,0,0,0|0,0,2]=4 605 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)I 22a_100000211102_217856618621 [0,1,1,0,0,0|0,0,2]=4 606 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)O 1626a_100000210217_217856618621 [0,1,1,0,0,0|0,0,2]=4 607 B13R1.148 C[C@H](O)C(=O)Nc1cccc(c1)O 22a_100000210217_217856618621 [0,1,1,0,0,0|0,0,2]=4 608 B13R1.148 Cc1cccc(c1)NC(=O)C(=O)N 22a_100000188690_100011215815 [0,1,1,0,0,0|1,0,1]=4 609 B13R1.148 Cc1cccc(c1)NC(=O)C(O)O 22a_100000188690_100000233687 [0,1,1,0,0,0|1,0,1]=4 610 B13R1.148 Cc1cccc(c1)NC(=O)[C@@H](C)O 22a_100000188690_100000717761 [0,1,1,0,0,0|0,0,2]=4 611 B13R1.148 Cc1cccc(c1)NC(=O)[C@H](C)O 1626a_100000188690_217856618621 [0,1,1,0,0,0|0,0,2]=4 612 B13R1.148 Cc1cccc(c1)NC(=O)[C@H](C)O 22a_100000188690_217856618621 [0,1,1,0,0,0|0,0,2]=4 613 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)Br 22a_100000210019_100011215815 [0,1,1,0,0,0|1,0,1]=4 614 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100011215815 [0,1,1,0,0,0|1,0,1]=4 615 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)F 22a_100000210047_100011215815 [0,1,1,0,0,0|1,0,1]=4 616 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)I 22a_100000211102_100011215815 [0,1,1,0,0,0|1,0,1]=4 617 B13R1.148 NC(=O)C(=O)Nc1cccc(c1)O 22a_100000210217_100011215815 [0,1,1,0,0,0|1,0,1]=4 618 B13R1.148 O=C(Nc1cccc(c1)Br)C(O)O 22a_100000210019_100000233687 [0,1,1,0,0,0|1,0,1]=4 619 B13R1.148 O=C(Nc1cccc(c1)Cl)C(O)O 22a_100000185859_100000233687 [0,1,1,0,0,0|1,0,1]=4 620 B13R1.148 O=C(Nc1cccc(c1)F)C(O)O 22a_100000210047_100000233687 [0,1,1,0,0,0|1,0,1]=4 621 B13R1.148 O=C(Nc1cccc(c1)I)C(O)O 22a_100000211102_100000233687 [0,1,1,0,0,0|1,0,1]=4 622 B13R1.148 O=C(Nc1cccc(c1)O)C(O)O 22a_100000210217_100000233687 [0,1,1,0,0,0|1,0,1]=4 623 B13R1.148 [13CH3]C(=O)C(=O)Nc1cccc(c1)Cl 1458a_200011297299_200025704644 [0,1,1,0,0,0|0,0,2]=4 624 B13R1.148 [13CH3]C(=O)C(=O)Nc1cccc(c1)F 1458a_200011297300_200025704644 [0,1,1,0,0,0|0,0,2]=4 625 B13R1.152 C=C(Br)C(=O)N(C)c1ccccc1 11a_100000210012_100009813364 [0,1,1,0,0,0|1,0,0]=3 626 B13R1.152 C=C(Br)C(=O)N(C)c1ccccc1 1626a_100000210012_100009813364 [0,1,1,0,0,0|1,0,0]=3 627 B13R1.152 C=C(C)C(=O)C(C)c1ccccc1 1458a_100000185857_100000230085 [0,1,1,0,0,0|2,0,0]=4 628 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 11a_100000210012_100000185857 [0,1,1,0,0,0|1,0,0]=3 629 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 1626a_100000210012_100000185857 [0,1,1,0,0,0|1,0,0]=3 630 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 22a_100000210012_100000185857 [0,1,1,0,0,0|1,0,0]=3 631 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 11a_100000210012_100000039160 [0,1,1,0,0,0|1,0,0]=3 632 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 1626a_100000210012_100000039160 [0,1,1,0,0,0|1,0,0]=3 633 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 22a_100000210012_100000039160 [0,1,1,0,0,0|1,0,0]=3 634 B13R1.152 C=C(F)C(=O)N(C)c1ccccc1 11a_100000210012_100000036797 [0,1,1,0,0,0|1,0,0]=3 635 B13R1.152 C=C(F)C(=O)N(C)c1ccccc1 1626a_100000210012_100000036797 [0,1,1,0,0,0|1,0,0]=3 636 B13R1.152 C=C(F)C(=O)N(C)c1ccccc1 22a_100000210012_100000036797 [0,1,1,0,0,0|1,0,0]=3 637 B13R1.152 CC(=O)C(=O)N(C)c1ccccc1 1458a_100011297159_200000210301 [0,1,1,0,0,0|0,0,2]=4 638 B13R1.152 CC(C(=O)N)C(=O)c1ccccc1 1458a_100000185807_100000702099 [0,1,1,0,0,0|1,0,1]=4 639 B13R1.152 CN(C(=O)C(=O)N)c1ccccc1 22a_100000210012_100011215815 [0,1,1,0,0,0|1,0,1]=4 640 B13R1.152 CN(C(=O)C(=O)[13CH3])c1ccccc1 1458a_100011297159_200025704644 [0,1,1,0,0,0|0,0,2]=4 641 B13R1.152 CN(C(=O)C(O)O)c1ccccc1 22a_100000210012_100000233687 [0,1,1,0,0,0|1,0,1]=4 642 B13R1.152 C[C@@H](O)C(=O)N(C)c1ccccc1 22a_100000210012_100000717761 [0,1,1,0,0,0|0,0,2]=4 643 B13R1.152 C[C@H](O)C(=O)N(C)c1ccccc1 1626a_100000210012_217856618621 [0,1,1,0,0,0|0,0,2]=4 644 B13R1.152 C[C@H](O)C(=O)N(C)c1ccccc1 22a_100000210012_217856618621 [0,1,1,0,0,0|0,0,2]=4 645 B13R1.152 NC(=O)C(F)C(=O)c1ccccc1 1458a_100000185807_100009813875 [0,1,1,0,0,0|1,0,1]=4 646 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Br 11a_100000210017_100009813364 [0,1,1,0,0,0|1,0,0]=3 647 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Br 1626a_100000210017_100009813364 [0,1,1,0,0,0|1,0,0]=3 648 B13R1.202 C=C(Br)C(=O)Nc1ccccc1C 11a_100015192222_100009813364 [0,1,1,0,0,0|1,0,0]=3 649 B13R1.202 C=C(Br)C(=O)Nc1ccccc1C 1626a_100015192222_100009813364 [0,1,1,0,0,0|1,0,0]=3 650 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Cl 11a_100000185783_100009813364 [0,1,1,0,0,0|1,0,0]=3 651 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Cl 1626a_100000185783_100009813364 [0,1,1,0,0,0|1,0,0]=3 652 B13R1.202 C=C(Br)C(=O)Nc1ccccc1F 11a_100000210422_100009813364 [0,1,1,0,0,0|1,0,0]=3 653 B13R1.202 C=C(Br)C(=O)Nc1ccccc1F 1626a_100000210422_100009813364 [0,1,1,0,0,0|1,0,0]=3 654 B13R1.202 C=C(Br)C(=O)Nc1ccccc1I 11a_100000210053_100009813364 [0,1,1,0,0,0|1,0,0]=3 655 B13R1.202 C=C(Br)C(=O)Nc1ccccc1I 1626a_100000210053_100009813364 [0,1,1,0,0,0|1,0,0]=3 656 B13R1.202 C=C(C)C(=O)Cc1ccccc1Br 1458a_100000185857_100000184730 [0,1,1,0,0,0|2,0,0]=4 657 B13R1.202 C=C(C)C(=O)Cc1ccccc1C 1458a_100000185857_100000211839 [0,1,1,0,0,0|2,0,0]=4 658 B13R1.202 C=C(C)C(=O)Cc1ccccc1Cl 1458a_100000185857_100000187162 [0,1,1,0,0,0|2,0,0]=4 659 B13R1.202 C=C(C)C(=O)Cc1ccccc1F 1458a_100000185857_100000187165 [0,1,1,0,0,0|2,0,0]=4 660 B13R1.202 C=C(C)C(=O)Cc1ccccc1I 1458a_100000185857_100011216222 [0,1,1,0,0,0|2,0,0]=4 661 B13R1.202 C=C(C)C(=O)Nc1ccccc1Br 11a_100000210017_100000185857 [0,1,1,0,0,0|1,0,0]=3 662 B13R1.202 C=C(C)C(=O)Nc1ccccc1Br 1626a_100000210017_100000185857 [0,1,1,0,0,0|1,0,0]=3 663 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 11a_100015192222_100000185857 [0,1,1,0,0,0|1,0,0]=3 664 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 1626a_100015192222_100000185857 [0,1,1,0,0,0|1,0,0]=3 665 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 22a_100015192222_100000185857 [0,1,1,0,0,0|1,0,0]=3 666 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 11a_100000185783_100000185857 [0,1,1,0,0,0|1,0,0]=3 667 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000185857 [0,1,1,0,0,0|1,0,0]=3 668 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 22a_100000185783_100000185857 [0,1,1,0,0,0|1,0,0]=3 669 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 11a_100000210422_100000185857 [0,1,1,0,0,0|1,0,0]=3 670 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 1626a_100000210422_100000185857 [0,1,1,0,0,0|1,0,0]=3 671 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 22a_100000210422_100000185857 [0,1,1,0,0,0|1,0,0]=3 672 B13R1.202 C=C(C)C(=O)Nc1ccccc1I 11a_100000210053_100000185857 [0,1,1,0,0,0|1,0,0]=3 673 B13R1.202 C=C(C)C(=O)Nc1ccccc1I 1626a_100000210053_100000185857 [0,1,1,0,0,0|1,0,0]=3 674 B13R1.202 C=C(C)C(=O)Nc1ccccc1O 22a_100000185747_100000185857 [0,1,1,0,0,0|1,0,0]=3 675 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Br 11a_100000210017_100000039160 [0,1,1,0,0,0|1,0,0]=3 676 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Br 1626a_100000210017_100000039160 [0,1,1,0,0,0|1,0,0]=3 677 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C 11a_100015192222_100000039160 [0,1,1,0,0,0|1,0,0]=3 678 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C 1626a_100015192222_100000039160 [0,1,1,0,0,0|1,0,0]=3 679 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C 22a_100015192222_100000039160 [0,1,1,0,0,0|1,0,0]=3 680 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Cl 11a_100000185783_100000039160 [0,1,1,0,0,0|1,0,0]=3 681 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000039160 [0,1,1,0,0,0|1,0,0]=3 682 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Cl 22a_100000185783_100000039160 [0,1,1,0,0,0|1,0,0]=3 683 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1F 11a_100000210422_100000039160 [0,1,1,0,0,0|1,0,0]=3 684 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1F 1626a_100000210422_100000039160 [0,1,1,0,0,0|1,0,0]=3 685 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1F 22a_100000210422_100000039160 [0,1,1,0,0,0|1,0,0]=3 686 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1I 11a_100000210053_100000039160 [0,1,1,0,0,0|1,0,0]=3 687 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1I 1626a_100000210053_100000039160 [0,1,1,0,0,0|1,0,0]=3 688 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1O 22a_100000185747_100000039160 [0,1,1,0,0,0|1,0,0]=3 689 B13R1.202 C=C(F)C(=O)Nc1ccccc1Br 11a_100000210017_100000036797 [0,1,1,0,0,0|1,0,0]=3 690 B13R1.202 C=C(F)C(=O)Nc1ccccc1Br 1626a_100000210017_100000036797 [0,1,1,0,0,0|1,0,0]=3 691 B13R1.202 C=C(F)C(=O)Nc1ccccc1C 11a_100015192222_100000036797 [0,1,1,0,0,0|1,0,0]=3 692 B13R1.202 C=C(F)C(=O)Nc1ccccc1C 1626a_100015192222_100000036797 [0,1,1,0,0,0|1,0,0]=3 693 B13R1.202 C=C(F)C(=O)Nc1ccccc1C 22a_100015192222_100000036797 [0,1,1,0,0,0|1,0,0]=3 694 B13R1.202 C=C(F)C(=O)Nc1ccccc1Cl 11a_100000185783_100000036797 [0,1,1,0,0,0|1,0,0]=3 695 B13R1.202 C=C(F)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000036797 [0,1,1,0,0,0|1,0,0]=3 696 B13R1.202 C=C(F)C(=O)Nc1ccccc1Cl 22a_100000185783_100000036797 [0,1,1,0,0,0|1,0,0]=3 697 B13R1.202 C=C(F)C(=O)Nc1ccccc1F 11a_100000210422_100000036797 [0,1,1,0,0,0|1,0,0]=3 698 B13R1.202 C=C(F)C(=O)Nc1ccccc1F 1626a_100000210422_100000036797 [0,1,1,0,0,0|1,0,0]=3 699 B13R1.202 C=C(F)C(=O)Nc1ccccc1F 22a_100000210422_100000036797 [0,1,1,0,0,0|1,0,0]=3 700 B13R1.202 C=C(F)C(=O)Nc1ccccc1I 11a_100000210053_100000036797 [0,1,1,0,0,0|1,0,0]=3 701 B13R1.202 C=C(F)C(=O)Nc1ccccc1I 1626a_100000210053_100000036797 [0,1,1,0,0,0|1,0,0]=3 702 B13R1.202 C=C(F)C(=O)Nc1ccccc1O 22a_100000185747_100000036797 [0,1,1,0,0,0|1,0,0]=3 703 B13R1.202 CC(=Cc1ccccc1Cl)C(=O)[13CH3] 1458a_100000693296_200025704644 [0,1,1,0,0,0|2,0,0]=4 704 B13R1.202 CC(=O)C(=Cc1ccccc1Cl)C 1458a_100000693296_200000210301 [0,1,1,0,0,0|2,0,0]=4 705 B13R1.202 CC(=O)C(=O)Nc1ccccc1C 1458a_200011297352_200000210301 [0,1,1,0,0,0|0,0,2]=4 706 B13R1.202 CC(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200000210301 [0,1,1,0,0,0|0,0,2]=4 707 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1Cl 22a_100000185783_100000717761 [0,1,1,0,0,0|0,0,2]=4 708 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1F 22a_100000210422_100000717761 [0,1,1,0,0,0|0,0,2]=4 709 B13R1.202 C[C@@H](O)C(=O)Nc1ccccc1O 22a_100000185747_100000717761 [0,1,1,0,0,0|0,0,2]=4 710 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Br 1626a_100000210017_217856618621 [0,1,1,0,0,0|0,0,2]=4 711 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Cl 1626a_100000185783_217856618621 [0,1,1,0,0,0|0,0,2]=4 712 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1Cl 22a_100000185783_217856618621 [0,1,1,0,0,0|0,0,2]=4 713 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1F 1626a_100000210422_217856618621 [0,1,1,0,0,0|0,0,2]=4 714 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1F 22a_100000210422_217856618621 [0,1,1,0,0,0|0,0,2]=4 715 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1I 1626a_100000210053_217856618621 [0,1,1,0,0,0|0,0,2]=4 716 B13R1.202 C[C@H](O)C(=O)Nc1ccccc1O 22a_100000185747_217856618621 [0,1,1,0,0,0|0,0,2]=4 717 B13R1.202 Cc1ccccc1NC(=O)C(=O)N 22a_100015192222_100011215815 [0,1,1,0,0,0|1,0,1]=4 718 B13R1.202 Cc1ccccc1NC(=O)C(=O)[13CH3] 1458a_200011297352_200025704644 [0,1,1,0,0,0|0,0,2]=4 719 B13R1.202 Cc1ccccc1NC(=O)C(O)O 22a_100015192222_100000233687 [0,1,1,0,0,0|1,0,1]=4 720 B13R1.202 Cc1ccccc1NC(=O)[C@@H](C)O 22a_100015192222_100000717761 [0,1,1,0,0,0|0,0,2]=4 721 B13R1.202 Cc1ccccc1NC(=O)[C@H](C)O 1626a_100015192222_217856618621 [0,1,1,0,0,0|0,0,2]=4 722 B13R1.202 Cc1ccccc1NC(=O)[C@H](C)O 22a_100015192222_217856618621 [0,1,1,0,0,0|0,0,2]=4 723 B13R1.202 NC(=O)C(=O)Nc1ccccc1Cl 22a_100000185783_100011215815 [0,1,1,0,0,0|1,0,1]=4 724 B13R1.202 NC(=O)C(=O)Nc1ccccc1F 22a_100000210422_100011215815 [0,1,1,0,0,0|1,0,1]=4 725 B13R1.202 NC(=O)C(=O)Nc1ccccc1O 22a_100000185747_100011215815 [0,1,1,0,0,0|1,0,1]=4 726 B13R1.202 O=C(Nc1ccccc1Cl)C(O)O 22a_100000185783_100000233687 [0,1,1,0,0,0|1,0,1]=4 727 B13R1.202 O=C(Nc1ccccc1F)C(O)O 22a_100000210422_100000233687 [0,1,1,0,0,0|1,0,1]=4 728 B13R1.202 O=C(Nc1ccccc1O)C(O)O 22a_100000185747_100000233687 [0,1,1,0,0,0|1,0,1]=4 729 B13R1.202 [13CH3]C(=O)C(=O)Nc1ccccc1F 1458a_200011297310_200025704644 [0,1,1,0,0,0|0,0,2]=4 730 B13R1.353 CC(C)(O)C(=O)Nc1ccccc1 22a_100000106764_100000242741 [0,1,1,0,0,0|0,0,2]=4 731 B13R1.418 CC(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_200000210301 [0,1,1,0,0,0|2,0,0]=4 732 B13R1.418 [13CH3]C(=O)C(=Cc1ccccc1)C#N 1458a_100000162679_200025704644 [0,1,1,0,0,0|2,0,0]=4 733 B13R1.380 C=C=Cc1ccccc1NC(=O)C 271570a_100015277604_100000153524 [0,1,1,0,0,0|1,0,1]=4 734 B13R1.380 C=C=Cc1ccccc1NC(=O)N 271570a_100015277604_100000742221 [0,1,1,0,0,0|1,0,1]=4 735 B13R1.380 C=CCc1ccccc1NC(=O)C 11a_200138433279_100015343762 [0,1,1,0,0,0|1,0,1]=4 736 B13R1.380 C=CCc1ccccc1NC(=O)C 1626a_200138433279_100015343762 [0,1,1,0,0,0|1,0,1]=4 737 B13R1.380 C=CCc1ccccc1NC(=O)C 22a_200138433279_100000070787 [0,1,1,0,0,0|1,0,1]=4 738 B13R1.380 C=CCc1ccccc1NC(=O)C 527a_200138433279_100103153847 [0,1,1,0,0,0|1,0,1]=4 739 B13R1.380 CC(=O)Nc1ccccc1CCO 22a_100011215289_100000070787 [0,1,1,0,0,0|0,0,2]=4 740 B13R1.380 CC(=O)Nc1ccccc1CCO 527a_100011215289_100103153847 [0,1,1,0,0,0|0,0,2]=4 741 B13R1.380 CC=Cc1ccccc1CC(=O)C 271570a_100016259895_100011350739 [0,1,1,0,0,0|2,0,0]=4 742 B13R1.380 CC=Cc1ccccc1CC(=O)N 271570a_100016259895_200009814924 [0,1,1,0,0,0|2,0,0]=4 743 B13R1.380 CC=Cc1ccccc1NC(=O)C 271570a_100016259895_100000153524 [0,1,1,0,0,0|1,0,0]=3 744 B13R1.380 CC=Cc1ccccc1NC(=O)N 271570a_100016259895_100000742221 [0,1,1,0,0,0|1,0,0]=3 745 B13R1.380 CC=Cc1ccccc1OC(=O)C 271570a_100016259895_100000051690 [0,1,1,0,0,0|2,0,0]=4 746 B13R1.380 CC=Cc1cnccc1NC(=O)C 271570a_100016259895_100016132053 [0,1,1,0,0,0|2,0,0]=4 747 B13R1.485 C/C=C/c1ccccc1OCC=O 34a_200000189419_200009817547 [0,1,1,0,0,0|2,0,0]=4 748 B13R1.485 C/C=C/c1ccccc1OCC=O 7a_200000189419_200015260668 [0,1,1,0,0,0|2,0,0]=4 749 B13R1.485 C=CCSc1ccccc1NC=O 62a_100000210623_200020615051 [0,1,1,0,0,0|1,0,1]=4 750 B13R1.485 C=CCSc1ccccc1NC=O 62a_200020615051_100000210623 [0,1,1,0,0,0|1,0,1]=4 751 B13R1.485 C=CCc1ccccc1NCC=O 2230a_200138433279_200015260668 [0,1,1,0,0,0|1,0,1]=4 752 B13R1.485 C=CCc1ccccc1NCC=O 34a_200138433279_200009817547 [0,1,1,0,0,0|1,0,1]=4 753 B13R1.485 CC=Cc1ccccc1CCC=O 271570a_100016259895_100011713448 [0,1,1,0,0,0|2,0,0]=4 754 B13R1.485 COCSc1ccccc1NC=O 62a_100000766300_200020615051 [0,1,1,0,0,0|1,0,1]=4 755 B13R1.485 COCSc1ccccc1NC=O 62a_200020615051_100000766300 [0,1,1,0,0,0|1,0,1]=4 756 B13R1.485 O=CCNc1ccccc1CCO 2230a_100011215289_200015260668 [0,1,1,0,0,0|0,0,2]=4 757 B13R1.485 O=CCNc1ccccc1CCO 34a_100011215289_200009817547 [0,1,1,0,0,0|0,0,2]=4 758 B13R1.485 O=CCSc1ccccc1NC=O 62a_200015260668_200020615051 [0,1,1,0,0,0|0,0,2]=4 759 B13R1.485 O=CCSc1ccccc1NC=O 62a_200020615051_200015260668 [0,1,1,0,0,0|0,0,2]=4 760 B13R1.485 O=CNc1ccccc1SCCO 62a_100000211926_200020615051 [0,1,1,0,0,0|0,0,2]=4 761 B13R1.485 O=CNc1ccccc1SCCO 62a_200020615051_100000211926 [0,1,1,0,0,0|0,0,2]=4 762 B13R1.40 C=CC(=O)Nc1cccc(c1Br)C 1626a_100000684715_100000185746 [0,1,1,0,0,0|2,0,0]=4 763 B13R1.40 C=CC(=O)Nc1cccc(c1Br)C 22a_100000684715_100000185746 [0,1,1,0,0,0|2,0,0]=4 764 B13R1.40 C=CC(=O)Nc1cccc(c1Br)Cl 1626a_100000687072_100000185746 [0,1,1,0,0,0|2,0,0]=4 765 B13R1.40 C=CC(=O)Nc1cccc(c1Br)F 1626a_100011934729_100000185746 [0,1,1,0,0,0|2,0,0]=4 766 B13R1.40 C=CC(=O)Nc1cccc(c1Br)O 22a_100012183704_100000185746 [0,1,1,0,0,0|2,0,0]=4 767 B13R1.40 C=CC(=O)Nc1cccc(c1C)Br 1626a_100000750434_100000185746 [0,1,1,0,0,0|1,0,1]=4 768 B13R1.40 C=CC(=O)Nc1cccc(c1C)Br 22a_100000750434_100000185746 [0,1,1,0,0,0|1,0,1]=4 769 B13R1.40 C=CC(=O)Nc1cccc(c1C)C 1626a_100000210026_100000185746 [0,1,1,0,0,0|1,0,1]=4 770 B13R1.40 C=CC(=O)Nc1cccc(c1C)C 22a_100000210026_100000185746 [0,1,1,0,0,0|1,0,1]=4 771 B13R1.40 C=CC(=O)Nc1cccc(c1C)Cl 1626a_100000210441_100000185746 [0,1,1,0,0,0|1,0,1]=4 772 B13R1.40 C=CC(=O)Nc1cccc(c1C)Cl 22a_100000210441_100000185746 [0,1,1,0,0,0|1,0,1]=4 773 B13R1.40 C=CC(=O)Nc1cccc(c1C)F 1626a_100000745574_100000185746 [0,1,1,0,0,0|1,0,1]=4 774 B13R1.40 C=CC(=O)Nc1cccc(c1C)F 22a_100000745574_100000185746 [0,1,1,0,0,0|1,0,1]=4 775 B13R1.40 C=CC(=O)Nc1cccc(c1C)I 1626a_100000761887_100000185746 [0,1,1,0,0,0|1,0,1]=4 776 B13R1.40 C=CC(=O)Nc1cccc(c1C)I 22a_100000761887_100000185746 [0,1,1,0,0,0|1,0,1]=4 777 B13R1.40 C=CC(=O)Nc1cccc(c1C)O 22a_100011216573_100000185746 [0,1,1,0,0,0|1,0,1]=4 778 B13R1.40 C=CC(=O)Nc1cccc(c1Cl)Br 1626a_100000687075_100000185746 [0,1,1,0,0,0|2,0,0]=4 779 B13R1.40 C=CC(=O)Nc1cccc(c1Cl)C 1626a_100000765562_100000185746 [0,1,1,0,0,0|2,0,0]=4 780 B13R1.40 C=CC(=O)Nc1cccc(c1Cl)C 22a_100000765562_100000185746 [0,1,1,0,0,0|2,0,0]=4 781 B13R1.40 C=CC(=O)Nc1cccc(c1Cl)Cl 1626a_100000185733_100000185746 [0,1,1,0,0,0|2,0,0]=4 782 B13R1.40 C=CC(=O)Nc1cccc(c1Cl)F 1626a_100000692321_100000185746 [0,1,1,0,0,0|2,0,0]=4 783 B13R1.40 C=CC(=O)Nc1cccc(c1Cl)F 22a_100000692321_100000185746 [0,1,1,0,0,0|2,0,0]=4 784 B13R1.40 C=CC(=O)Nc1cccc(c1Cl)O 22a_100012002038_100000185746 [0,1,1,0,0,0|2,0,0]=4 785 B13R1.40 C=CC(=O)Nc1cccc(c1F)Br 1626a_100011935091_100000185746 [0,1,1,0,0,0|2,0,0]=4 786 B13R1.40 C=CC(=O)Nc1cccc(c1F)Br 22a_100011935091_100000185746 [0,1,1,0,0,0|2,0,0]=4 787 B13R1.40 C=CC(=O)Nc1cccc(c1F)C 1626a_100000697159_100000185746 [0,1,1,0,0,0|2,0,0]=4 788 B13R1.40 C=CC(=O)Nc1cccc(c1F)Cl 1626a_100000199060_100000185746 [0,1,1,0,0,0|2,0,0]=4 789 B13R1.40 C=CC(=O)Nc1cccc(c1F)Cl 22a_100000199060_100000185746 [0,1,1,0,0,0|2,0,0]=4 790 B13R1.40 C=CC(=O)Nc1cccc(c1F)F 1626a_100000743855_100000185746 [0,1,1,0,0,0|2,0,0]=4 791 B13R1.40 C=CC(=O)Nc1cccc(c1F)F 22a_100000743855_100000185746 [0,1,1,0,0,0|2,0,0]=4 792 B13R1.40 C=CC(=O)Nc1cccc(c1I)Br 1626a_100020590159_100000185746 [0,1,1,0,0,0|2,0,0]=4 793 B13R1.40 C=CC(=O)Nc1cccc(c1I)C 1626a_100000761888_100000185746 [0,1,1,0,0,0|2,0,0]=4 794 B13R1.40 C=CC(=O)Nc1cccc(c1I)Cl 1626a_100000049713_100000185746 [0,1,1,0,0,0|2,0,0]=4 795 B13R1.40 C=CC(=O)Nc1cccc(c1I)F 1626a_100000690935_100000185746 [0,1,1,0,0,0|2,0,0]=4 796 B13R1.40 C=CC(=O)Nc1cccc(c1O)Br 22a_100011934915_100000185746 [0,1,1,0,0,0|2,0,0]=4 797 B13R1.40 C=CC(=O)Nc1cccc(c1O)C 1626a_100000756359_100000185746 [0,1,1,0,0,0|2,0,0]=4 798 B13R1.40 C=CC(=O)Nc1cccc(c1O)C 22a_100000756359_100000185746 [0,1,1,0,0,0|2,0,0]=4 799 B13R1.40 C=CC(=O)Nc1cccc(c1O)Cl 22a_100000754742_100000185746 [0,1,1,0,0,0|2,0,0]=4 800 B13R1.40 C=CC(=O)Nc1cccc(c1O)F 1626a_100011934987_100000185746 [0,1,1,0,0,0|2,0,0]=4 801 B13R1.40 C=CC(=O)Nc1cccc(c1O)F 22a_100011934987_100000185746 [0,1,1,0,0,0|2,0,0]=4 802 B13R1.40 C=CC(=O)Nc1cccc(c1O)I 1626a_100010084371_100000185746 [0,1,1,0,0,0|2,0,0]=4 803 B13R1.40 C=CC(=O)Nc1cccc(c1O)I 22a_100010084371_100000185746 [0,1,1,0,0,0|2,0,0]=4 804 B13R1.40 Cc1c(cccc1NC(=O)CO)Br 22a_100000750434_100000210174 [0,1,1,0,0,0|0,0,2]=4 805 B13R1.40 Cc1c(cccc1NC(=O)CO)Br 527a_100000750434_100000210174 [0,1,1,0,0,0|0,0,2]=4 806 B13R1.40 Cc1c(cccc1NC(=O)CO)Cl 22a_100000210441_100000210174 [0,1,1,0,0,0|0,0,2]=4 807 B13R1.40 Cc1c(cccc1NC(=O)CO)Cl 527a_100000210441_100000210174 [0,1,1,0,0,0|0,0,2]=4 808 B13R1.40 Cc1c(cccc1NC(=O)CO)F 22a_100000745574_100000210174 [0,1,1,0,0,0|0,0,2]=4 809 B13R1.40 Cc1c(cccc1NC(=O)CO)F 527a_100000745574_100000210174 [0,1,1,0,0,0|0,0,2]=4 810 B13R1.40 Cc1c(cccc1NC(=O)CO)I 22a_100000761887_100000210174 [0,1,1,0,0,0|0,0,2]=4 811 B13R1.40 Cc1c(cccc1NC(=O)CO)I 527a_100000761887_100000210174 [0,1,1,0,0,0|0,0,2]=4 812 B13R1.40 Cc1c(cccc1NC(=O)CO)O 22a_100011216573_100000210174 [0,1,1,0,0,0|0,0,2]=4 813 B13R1.40 Cc1c(cccc1NC(=O)CO)O 527a_100011216573_100000210174 [0,1,1,0,0,0|0,0,2]=4 814 B13R1.40 Cc1cccc(c1Br)NC(=O)CO 22a_100000684715_100000210174 [0,1,1,0,0,0|1,0,1]=4 815 B13R1.40 Cc1cccc(c1C)NC(=O)CO 22a_100000210026_100000210174 [0,1,1,0,0,0|0,0,2]=4 816 B13R1.40 Cc1cccc(c1C)NC(=O)CO 527a_100000210026_100000210174 [0,1,1,0,0,0|0,0,2]=4 817 B13R1.40 Cc1cccc(c1Cl)NC(=O)CO 22a_100000765562_100000210174 [0,1,1,0,0,0|1,0,1]=4 818 B13R1.40 Cc1cccc(c1F)NC(=O)CO 527a_100000697159_100000210174 [0,1,1,0,0,0|1,0,1]=4 819 B13R1.40 Cc1cccc(c1O)NC(=O)CO 22a_100000756359_100000210174 [0,1,1,0,0,0|1,0,1]=4 820 B13R1.40 Cc1cccc(c1O)NC(=O)CO 527a_100000756359_100000210174 [0,1,1,0,0,0|1,0,1]=4 821 B13R1.40 O=C(CO)Nc1cccc(c1Br)O 22a_100012183704_100000210174 [0,1,1,0,0,0|1,0,1]=4 822 B13R1.40 O=C(CO)Nc1cccc(c1Cl)Br 527a_100000687075_100000210174 [0,1,1,0,0,0|1,0,1]=4 823 B13R1.40 O=C(CO)Nc1cccc(c1Cl)F 22a_100000692321_100000210174 [0,1,1,0,0,0|1,0,1]=4 824 B13R1.40 O=C(CO)Nc1cccc(c1Cl)O 22a_100012002038_100000210174 [0,1,1,0,0,0|1,0,1]=4 825 B13R1.40 O=C(CO)Nc1cccc(c1F)Br 22a_100011935091_100000210174 [0,1,1,0,0,0|1,0,1]=4 826 B13R1.40 O=C(CO)Nc1cccc(c1F)Br 527a_100011935091_100000210174 [0,1,1,0,0,0|1,0,1]=4 827 B13R1.40 O=C(CO)Nc1cccc(c1F)Cl 22a_100000199060_100000210174 [0,1,1,0,0,0|1,0,1]=4 828 B13R1.40 O=C(CO)Nc1cccc(c1F)F 22a_100000743855_100000210174 [0,1,1,0,0,0|1,0,1]=4 829 B13R1.40 O=C(CO)Nc1cccc(c1O)Br 22a_100011934915_100000210174 [0,1,1,0,0,0|1,0,1]=4 830 B13R1.40 O=C(CO)Nc1cccc(c1O)Br 527a_100011934915_100000210174 [0,1,1,0,0,0|1,0,1]=4 831 B13R1.40 O=C(CO)Nc1cccc(c1O)Cl 22a_100000754742_100000210174 [0,1,1,0,0,0|1,0,1]=4 832 B13R1.40 O=C(CO)Nc1cccc(c1O)Cl 527a_100000754742_100000210174 [0,1,1,0,0,0|1,0,1]=4 833 B13R1.40 O=C(CO)Nc1cccc(c1O)F 22a_100011934987_100000210174 [0,1,1,0,0,0|1,0,1]=4 834 B13R1.40 O=C(CO)Nc1cccc(c1O)F 527a_100011934987_100000210174 [0,1,1,0,0,0|1,0,1]=4 835 B13R1.40 O=C(CO)Nc1cccc(c1O)I 22a_100010084371_100000210174 [0,1,1,0,0,0|1,0,1]=4 836 B13R1.40 O=C(CO)Nc1cccc(c1O)I 527a_100010084371_100000210174 [0,1,1,0,0,0|1,0,1]=4 837 B13R1.91 C#Cc1ccccc1NC(=O)C=C 1626a_100011470550_100000185746 [0,1,1,0,0,0|1,0,1]=4 838 B13R1.91 C#Cc1ccccc1NC(=O)C=C 22a_100011470550_100000185746 [0,1,1,0,0,0|1,0,1]=4 839 B13R1.91 C#Cc1ccccc1NC(=O)CO 22a_100011470550_100000210174 [0,1,1,0,0,0|0,0,2]=4 840 B13R1.91 C=CC(=O)Cc1ccccc1C=O 1458a_100000185746_200009853537 [0,1,1,0,0,0|2,0,0]=4 841 B13R1.91 C=CC(=O)Nc1ccccc1C#N 1626a_100000211148_100000185746 [0,1,1,0,0,0|1,0,1]=4 842 B13R1.91 C=CC(=O)Nc1ccccc1C=C 1626a_100012022501_100000185746 [0,1,1,0,0,0|1,0,0]=3 843 B13R1.91 C=CC(=O)Nc1ccccc1C=C 22a_100012022501_100000185746 [0,1,1,0,0,0|1,0,0]=3 844 B13R1.91 C=CC(=O)Nc1ccccc1CC 1626a_100000212081_100000185746 [0,1,1,0,0,0|1,0,1]=4 845 B13R1.91 C=CC(=O)Nc1ccccc1CC 22a_100000212081_100000185746 [0,1,1,0,0,0|1,0,1]=4 846 B13R1.91 C=CC(=O)Nc1ccccc1CO 22a_100000212039_100000185746 [0,1,1,0,0,0|1,0,1]=4 847 B13R1.91 C=CC(=O)Nc1ccccc1OC 1626a_100000210025_100000185746 [0,1,1,0,0,0|1,0,1]=4 848 B13R1.91 C=CC(=O)Nc1ccccc1OC 22a_100000210025_100000185746 [0,1,1,0,0,0|1,0,1]=4 849 B13R1.91 C=CC(=O)Nc1ccccc1SC 22a_100000211160_100000185746 [0,1,1,0,0,0|1,0,1]=4 850 B13R1.91 C=Cc1ccccc1NC(=O)CC 11a_100012022501_100000210414 [0,1,1,0,0,0|1,0,1]=4 851 B13R1.91 C=Cc1ccccc1NC(=O)CC 1626a_100012022501_100000210414 [0,1,1,0,0,0|1,0,1]=4 852 B13R1.91 C=Cc1ccccc1NC(=O)CC 22a_100012022501_100000210414 [0,1,1,0,0,0|1,0,1]=4 853 B13R1.91 C=Cc1ccccc1NC(=O)CC 271570a_100011290941_100000153536 [0,1,1,0,0,0|1,0,1]=4 854 B13R1.91 C=Cc1ccccc1NC(=O)CO 22a_100012022501_100000210174 [0,1,1,0,0,0|0,0,1]=3 855 B13R1.91 C=Cc1ccccc1NC(=O)NC 2430a_100012022501_100102657272 [0,1,1,0,0,0|2,0,0]=4 856 B13R1.91 C=Cc1ccccc1NC(=O)OC 271570a_100011290941_100000216184 [0,1,1,0,0,0|2,0,0]=4 857 B13R1.91 CCc1ccccc1NC(=O)CO 22a_100000212081_100000210174 [0,1,1,0,0,0|0,0,2]=4 858 B13R1.91 CCc1ccccc1NC(=O)CO 527a_100000212081_100000210174 [0,1,1,0,0,0|0,0,2]=4 859 B13R1.91 COc1ccccc1NC(=O)CO 22a_100000210025_100000210174 [0,1,1,0,0,0|0,0,2]=4 860 B13R1.91 COc1ccccc1NC(=O)CO 527a_100000210025_100000210174 [0,1,1,0,0,0|0,0,2]=4 861 B13R1.91 CSc1ccccc1NC(=O)CO 22a_100000211160_100000210174 [0,1,1,0,0,0|0,0,2]=4 862 B13R1.91 O=C(CO)Nc1ccccc1CO 22a_100000212039_100000210174 [0,1,1,0,0,0|0,0,2]=4 863 B13R1.91 O=Cc1ccccc1CC(=O)CO 1458a_100000210174_200009853537 [0,1,1,0,0,0|1,0,1]=4 864 B13R1.470 C=CCC(=O)Nc1ccccc1Br 11a_100000210017_100000210193 [0,1,1,0,0,0|2,0,0]=4 865 B13R1.470 C=CCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210193 [0,1,1,0,0,0|2,0,0]=4 866 B13R1.470 C=CCC(=O)Nc1ccccc1C 11a_100015192222_100000210193 [0,1,1,0,0,0|1,0,1]=4 867 B13R1.470 C=CCC(=O)Nc1ccccc1C 1626a_100015192222_100000210193 [0,1,1,0,0,0|1,0,1]=4 868 B13R1.470 C=CCC(=O)Nc1ccccc1C 22a_100015192222_100000210193 [0,1,1,0,0,0|1,0,1]=4 869 B13R1.470 C=CCC(=O)Nc1ccccc1C 527a_100015192222_100000210193 [0,1,1,0,0,0|1,0,1]=4 870 B13R1.470 C=CCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210193 [0,1,1,0,0,0|2,0,0]=4 871 B13R1.470 C=CCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210193 [0,1,1,0,0,0|2,0,0]=4 872 B13R1.470 C=CCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210193 [0,1,1,0,0,0|2,0,0]=4 873 B13R1.470 C=CCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210193 [0,1,1,0,0,0|2,0,0]=4 874 B13R1.470 C=CCC(=O)Nc1ccccc1F 11a_100000210422_100000210193 [0,1,1,0,0,0|2,0,0]=4 875 B13R1.470 C=CCC(=O)Nc1ccccc1F 1626a_100000210422_100000210193 [0,1,1,0,0,0|2,0,0]=4 876 B13R1.470 C=CCC(=O)Nc1ccccc1F 22a_100000210422_100000210193 [0,1,1,0,0,0|2,0,0]=4 877 B13R1.470 C=CCC(=O)Nc1ccccc1F 527a_100000210422_100000210193 [0,1,1,0,0,0|2,0,0]=4 878 B13R1.470 C=CCC(=O)Nc1ccccc1I 11a_100000210053_100000210193 [0,1,1,0,0,0|2,0,0]=4 879 B13R1.470 C=CCC(=O)Nc1ccccc1I 1626a_100000210053_100000210193 [0,1,1,0,0,0|2,0,0]=4 880 B13R1.470 C=CCC(=O)Nc1ccccc1O 22a_100000185747_100000210193 [0,1,1,0,0,0|2,0,0]=4 881 B13R1.470 C=CCC(=O)Nc1ccccc1O 527a_100000185747_100000210193 [0,1,1,0,0,0|2,0,0]=4 882 B13R1.470 CC=CC(=O)Nc1ccccc1Br 11a_100000210017_100000210699 [0,1,1,0,0,0|2,0,0]=4 883 B13R1.470 CC=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000210699 [0,1,1,0,0,0|2,0,0]=4 884 B13R1.470 CC=CC(=O)Nc1ccccc1C 11a_100015192222_100000210699 [0,1,1,0,0,0|1,0,1]=4 885 B13R1.470 CC=CC(=O)Nc1ccccc1C 1626a_100015192222_100000210699 [0,1,1,0,0,0|1,0,1]=4 886 B13R1.470 CC=CC(=O)Nc1ccccc1C 22a_100015192222_100000210699 [0,1,1,0,0,0|1,0,1]=4 887 B13R1.470 CC=CC(=O)Nc1ccccc1Cl 11a_100000185783_100000210699 [0,1,1,0,0,0|2,0,0]=4 888 B13R1.470 CC=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210699 [0,1,1,0,0,0|2,0,0]=4 889 B13R1.470 CC=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000210699 [0,1,1,0,0,0|2,0,0]=4 890 B13R1.470 CC=CC(=O)Nc1ccccc1F 11a_100000210422_100000210699 [0,1,1,0,0,0|2,0,0]=4 891 B13R1.470 CC=CC(=O)Nc1ccccc1F 1626a_100000210422_100000210699 [0,1,1,0,0,0|2,0,0]=4 892 B13R1.470 CC=CC(=O)Nc1ccccc1F 22a_100000210422_100000210699 [0,1,1,0,0,0|2,0,0]=4 893 B13R1.470 CC=CC(=O)Nc1ccccc1I 11a_100000210053_100000210699 [0,1,1,0,0,0|2,0,0]=4 894 B13R1.470 CC=CC(=O)Nc1ccccc1I 1626a_100000210053_100000210699 [0,1,1,0,0,0|2,0,0]=4 895 B13R1.470 CC=CC(=O)Nc1ccccc1O 22a_100000185747_100000210699 [0,1,1,0,0,0|2,0,0]=4 896 B13R1.470 COCC(=O)Nc1ccccc1Br 11a_100000210017_100000210968 [0,1,1,0,0,0|1,0,1]=4 897 B13R1.470 COCC(=O)Nc1ccccc1Br 1626a_100000210017_100000210968 [0,1,1,0,0,0|1,0,1]=4 898 B13R1.470 COCC(=O)Nc1ccccc1C 11a_100015192222_100000210968 [0,1,1,0,0,0|0,0,2]=4 899 B13R1.470 COCC(=O)Nc1ccccc1C 1626a_100015192222_100000210968 [0,1,1,0,0,0|0,0,2]=4 900 B13R1.470 COCC(=O)Nc1ccccc1C 22a_100015192222_100000210968 [0,1,1,0,0,0|0,0,2]=4 901 B13R1.470 COCC(=O)Nc1ccccc1C 34a_100138415774_100000183529 [0,1,1,0,0,0|0,0,2]=4 902 B13R1.470 COCC(=O)Nc1ccccc1C 527a_100015192222_100000210968 [0,1,1,0,0,0|0,0,2]=4 903 B13R1.470 COCC(=O)Nc1ccccc1Cl 11a_100000185783_100000210968 [0,1,1,0,0,0|1,0,1]=4 904 B13R1.470 COCC(=O)Nc1ccccc1Cl 1626a_100000185783_100000210968 [0,1,1,0,0,0|1,0,1]=4 905 B13R1.470 COCC(=O)Nc1ccccc1Cl 22a_100000185783_100000210968 [0,1,1,0,0,0|1,0,1]=4 906 B13R1.470 COCC(=O)Nc1ccccc1Cl 34a_100138415774_100000182448 [0,1,1,0,0,0|1,0,1]=4 907 B13R1.470 COCC(=O)Nc1ccccc1Cl 527a_100000185783_100000210968 [0,1,1,0,0,0|1,0,1]=4 908 B13R1.470 COCC(=O)Nc1ccccc1F 11a_100000210422_100000210968 [0,1,1,0,0,0|1,0,1]=4 909 B13R1.470 COCC(=O)Nc1ccccc1F 1626a_100000210422_100000210968 [0,1,1,0,0,0|1,0,1]=4 910 B13R1.470 COCC(=O)Nc1ccccc1F 22a_100000210422_100000210968 [0,1,1,0,0,0|1,0,1]=4 911 B13R1.470 COCC(=O)Nc1ccccc1F 34a_100138415774_100000243840 [0,1,1,0,0,0|1,0,1]=4 912 B13R1.470 COCC(=O)Nc1ccccc1F 527a_100000210422_100000210968 [0,1,1,0,0,0|1,0,1]=4 913 B13R1.470 COCC(=O)Nc1ccccc1I 11a_100000210053_100000210968 [0,1,1,0,0,0|1,0,1]=4 914 B13R1.470 COCC(=O)Nc1ccccc1I 1626a_100000210053_100000210968 [0,1,1,0,0,0|1,0,1]=4 915 B13R1.470 COCC(=O)Nc1ccccc1I 34a_100138415774_100000180142 [0,1,1,0,0,0|1,0,1]=4 916 B13R1.470 COCC(=O)Nc1ccccc1O 22a_100000185747_100000210968 [0,1,1,0,0,0|1,0,1]=4 917 B13R1.470 COCC(=O)Nc1ccccc1O 271570a_203496583355_200000158336 [0,1,1,0,0,0|1,0,1]=4 918 B13R1.470 COCC(=O)Nc1ccccc1O 527a_100000185747_100000210968 [0,1,1,0,0,0|1,0,1]=4 919 B13R1.470 Cc1ccccc1NC(=O)C=CBr 1626a_100015192222_100016273825 [0,1,1,0,0,0|1,0,1]=4 920 B13R1.470 Cc1ccccc1NC(=O)C=CCl 11a_100015192222_200016279998 [0,1,1,0,0,0|1,0,1]=4 921 B13R1.470 Cc1ccccc1NC(=O)C=CCl 1626a_100015192222_200016279998 [0,1,1,0,0,0|1,0,1]=4 922 B13R1.470 Cc1ccccc1NC(=O)C=CI 1626a_100015192222_100016256311 [0,1,1,0,0,0|1,0,1]=4 923 B13R1.470 Cc1ccccc1NC(=O)CCO 22a_100015192222_100011216618 [0,1,1,0,0,0|0,0,2]=4 924 B13R1.470 O=C(C=CBr)Nc1ccccc1Br 1626a_100000210017_100016273825 [0,1,1,0,0,0|2,0,0]=4 925 B13R1.470 O=C(C=CBr)Nc1ccccc1Cl 1626a_100000185783_100016273825 [0,1,1,0,0,0|2,0,0]=4 926 B13R1.470 O=C(C=CBr)Nc1ccccc1F 1626a_100000210422_100016273825 [0,1,1,0,0,0|2,0,0]=4 927 B13R1.470 O=C(C=CBr)Nc1ccccc1I 1626a_100000210053_100016273825 [0,1,1,0,0,0|2,0,0]=4 928 B13R1.470 O=C(C=CCl)Nc1ccccc1Br 11a_100000210017_200016279998 [0,1,1,0,0,0|2,0,0]=4 929 B13R1.470 O=C(C=CCl)Nc1ccccc1Br 1626a_100000210017_200016279998 [0,1,1,0,0,0|2,0,0]=4 930 B13R1.470 O=C(C=CCl)Nc1ccccc1Cl 11a_100000185783_200016279998 [0,1,1,0,0,0|2,0,0]=4 931 B13R1.470 O=C(C=CCl)Nc1ccccc1Cl 1626a_100000185783_200016279998 [0,1,1,0,0,0|2,0,0]=4 932 B13R1.470 O=C(C=CCl)Nc1ccccc1F 11a_100000210422_200016279998 [0,1,1,0,0,0|2,0,0]=4 933 B13R1.470 O=C(C=CCl)Nc1ccccc1F 1626a_100000210422_200016279998 [0,1,1,0,0,0|2,0,0]=4 934 B13R1.470 O=C(C=CCl)Nc1ccccc1I 11a_100000210053_200016279998 [0,1,1,0,0,0|2,0,0]=4 935 B13R1.470 O=C(C=CCl)Nc1ccccc1I 1626a_100000210053_200016279998 [0,1,1,0,0,0|2,0,0]=4 936 B13R1.470 O=C(C=CI)Nc1ccccc1Br 1626a_100000210017_100016256311 [0,1,1,0,0,0|2,0,0]=4 937 B13R1.470 O=C(C=CI)Nc1ccccc1Cl 1626a_100000185783_100016256311 [0,1,1,0,0,0|2,0,0]=4 938 B13R1.470 O=C(C=CI)Nc1ccccc1F 1626a_100000210422_100016256311 [0,1,1,0,0,0|2,0,0]=4 939 B13R1.470 O=C(C=CI)Nc1ccccc1I 1626a_100000210053_100016256311 [0,1,1,0,0,0|2,0,0]=4 940 B13R1.470 O=C(CCO)Nc1ccccc1Cl 22a_100000185783_100011216618 [0,1,1,0,0,0|1,0,1]=4 941 B13R1.470 O=C(CCO)Nc1ccccc1F 22a_100000210422_100011216618 [0,1,1,0,0,0|1,0,1]=4 942 B13R1.470 O=C(CCO)Nc1ccccc1O 22a_100000185747_100011216618 [0,1,1,0,0,0|1,0,1]=4 943 B13R1.696 C=CC(=O)N(C)c1ccccc1Br 1626a_100020606079_100000185746 [0,1,1,0,0,0|2,0,0]=4 944 B13R1.696 C=CC(=O)N(C)c1ccccc1C 1626a_100000219699_100000185746 [0,1,1,0,0,0|1,0,1]=4 945 B13R1.696 C=CC(=O)N(C)c1ccccc1C 22a_100000219699_100000185746 [0,1,1,0,0,0|1,0,1]=4 946 B13R1.696 C=CC(=O)N(C)c1ccccc1Cl 1626a_100000219374_100000185746 [0,1,1,0,0,0|2,0,0]=4 947 B13R1.696 C=CC(=O)N(C)c1ccccc1F 1626a_100000220357_100000185746 [0,1,1,0,0,0|2,0,0]=4 948 B13R1.696 C=CC(=O)N(C)c1ccccc1F 22a_100000220357_100000185746 [0,1,1,0,0,0|2,0,0]=4 949 B13R1.696 C=CC(=O)N(C)c1ccccc1O 22a_100000033821_100000185746 [0,1,1,0,0,0|2,0,0]=4 950 B13R1.696 CN(C(=O)CO)c1ccccc1F 22a_100000220357_100000210174 [0,1,1,0,0,0|1,0,1]=4 951 B13R1.696 CN(C(=O)CO)c1ccccc1O 22a_100000033821_100000210174 [0,1,1,0,0,0|1,0,1]=4 952 B13R1.696 CN(C(=O)CO)c1ccccc1O 527a_100000033821_100000210174 [0,1,1,0,0,0|1,0,1]=4 953 B13R1.696 Cc1ccccc1N(C)C(=O)CO 22a_100000219699_100000210174 [0,1,1,0,0,0|0,0,2]=4 954 B13R1.2679 C=CC(=O)Nc1ccc(cc1Br)Br 1626a_100000211012_100000185746 [0,1,1,0,0,0|2,0,0]=4 955 B13R1.2679 C=CC(=O)Nc1ccc(cc1Br)C 1626a_100000210942_100000185746 [0,1,1,0,0,0|2,0,0]=4 956 B13R1.2679 C=CC(=O)Nc1ccc(cc1Br)Cl 1626a_100000752454_100000185746 [0,1,1,0,0,0|2,0,0]=4 957 B13R1.2679 C=CC(=O)Nc1ccc(cc1Br)F 1626a_100000738039_100000185746 [0,1,1,0,0,0|2,0,0]=4 958 B13R1.2679 C=CC(=O)Nc1ccc(cc1Br)I 1626a_100000750455_100000185746 [0,1,1,0,0,0|2,0,0]=4 959 B13R1.2679 C=CC(=O)Nc1ccc(cc1Br)O 22a_100012001276_100000185746 [0,1,1,0,0,0|2,0,0]=4 960 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)Br 1626a_100000211769_100000185746 [0,1,1,0,0,0|1,0,1]=4 961 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)Br 22a_100000211769_100000185746 [0,1,1,0,0,0|1,0,1]=4 962 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)C 1626a_100000736561_100000185746 [0,1,1,0,0,0|1,0,1]=4 963 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)C 22a_100000736561_100000185746 [0,1,1,0,0,0|1,0,1]=4 964 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)Cl 1626a_100000210418_100000185746 [0,1,1,0,0,0|1,0,1]=4 965 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)Cl 22a_100000210418_100000185746 [0,1,1,0,0,0|1,0,1]=4 966 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)F 1626a_100000211637_100000185746 [0,1,1,0,0,0|1,0,1]=4 967 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)F 22a_100000211637_100000185746 [0,1,1,0,0,0|1,0,1]=4 968 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)I 1626a_100000184554_100000185746 [0,1,1,0,0,0|1,0,1]=4 969 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)I 22a_100000184554_100000185746 [0,1,1,0,0,0|1,0,1]=4 970 B13R1.2679 C=CC(=O)Nc1ccc(cc1C)O 22a_100000756630_100000185746 [0,1,1,0,0,0|1,0,1]=4 971 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)Br 1626a_100000211467_100000185746 [0,1,1,0,0,0|2,0,0]=4 972 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)C 1626a_100000210522_100000185746 [0,1,1,0,0,0|2,0,0]=4 973 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)C 22a_100000210522_100000185746 [0,1,1,0,0,0|2,0,0]=4 974 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)Cl 1626a_100000185861_100000185746 [0,1,1,0,0,0|2,0,0]=4 975 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)Cl 22a_100000185861_100000185746 [0,1,1,0,0,0|2,0,0]=4 976 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)F 1626a_100000212003_100000185746 [0,1,1,0,0,0|2,0,0]=4 977 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)F 22a_100000212003_100000185746 [0,1,1,0,0,0|2,0,0]=4 978 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)I 1626a_100011218065_100000185746 [0,1,1,0,0,0|2,0,0]=4 979 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)I 22a_100011218065_100000185746 [0,1,1,0,0,0|2,0,0]=4 980 B13R1.2679 C=CC(=O)Nc1ccc(cc1Cl)O 22a_100011215599_100000185746 [0,1,1,0,0,0|2,0,0]=4 981 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)Br 1626a_100000210722_100000185746 [0,1,1,0,0,0|2,0,0]=4 982 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)Br 22a_100000210722_100000185746 [0,1,1,0,0,0|2,0,0]=4 983 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)C 1626a_100000211023_100000185746 [0,1,1,0,0,0|2,0,0]=4 984 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)C 22a_100000211023_100000185746 [0,1,1,0,0,0|2,0,0]=4 985 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)Cl 1626a_100000211020_100000185746 [0,1,1,0,0,0|2,0,0]=4 986 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)Cl 22a_100000211020_100000185746 [0,1,1,0,0,0|2,0,0]=4 987 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)F 1626a_100000210720_100000185746 [0,1,1,0,0,0|2,0,0]=4 988 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)F 22a_100000210720_100000185746 [0,1,1,0,0,0|2,0,0]=4 989 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)I 1626a_100011215594_100000185746 [0,1,1,0,0,0|2,0,0]=4 990 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)I 22a_100011215594_100000185746 [0,1,1,0,0,0|2,0,0]=4 991 B13R1.2679 C=CC(=O)Nc1ccc(cc1F)O 22a_100000759473_100000185746 [0,1,1,0,0,0|2,0,0]=4 992 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)Br 1626a_100000187925_100000185746 [0,1,1,0,0,0|2,0,0]=4 993 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)C 1626a_100011356834_100000185746 [0,1,1,0,0,0|2,0,0]=4 994 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)Cl 1626a_100000761889_100000185746 [0,1,1,0,0,0|2,0,0]=4 995 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)F 1626a_100000760547_100000185746 [0,1,1,0,0,0|2,0,0]=4 996 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)F 22a_100000760547_100000185746 [0,1,1,0,0,0|2,0,0]=4 997 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)I 1626a_100010002754_100000185746 [0,1,1,0,0,0|2,0,0]=4 998 B13R1.2679 C=CC(=O)Nc1ccc(cc1I)O 22a_100010084370_100000185746 [0,1,1,0,0,0|2,0,0]=4 999 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)Br 22a_100000739049_100000185746 [0,1,1,0,0,0|2,0,0]=4 1000 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)C 22a_100000211527_100000185746 [0,1,1,0,0,0|2,0,0]=4 1001 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)Cl 22a_100000185728_100000185746 [0,1,1,0,0,0|2,0,0]=4 1002 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)F 22a_100000753323_100000185746 [0,1,1,0,0,0|2,0,0]=4 1003 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)I 22a_100000057187_100000185746 [0,1,1,0,0,0|2,0,0]=4 1004 B13R1.2679 C=CC(=O)Nc1ccc(cc1O)O 22a_100000106777_100000185746 [0,1,1,0,0,0|2,0,0]=4 1005 B13R1.2679 Cc1cc(ccc1NC(=O)CO)Br 22a_100000211769_100000210174 [0,1,1,0,0,0|0,0,2]=4 1006 B13R1.2679 Cc1cc(ccc1NC(=O)CO)Cl 22a_100000210418_100000210174 [0,1,1,0,0,0|0,0,2]=4 1007 B13R1.2679 Cc1cc(ccc1NC(=O)CO)F 22a_100000211637_100000210174 [0,1,1,0,0,0|0,0,2]=4 1008 B13R1.2679 Cc1cc(ccc1NC(=O)CO)F 527a_100000211637_100000210174 [0,1,1,0,0,0|0,0,2]=4 1009 B13R1.2679 Cc1cc(ccc1NC(=O)CO)I 22a_100000184554_100000210174 [0,1,1,0,0,0|0,0,2]=4 1010 B13R1.2679 Cc1cc(ccc1NC(=O)CO)O 22a_100000756630_100000210174 [0,1,1,0,0,0|0,0,2]=4 1011 B13R1.2679 Cc1cc(ccc1NC(=O)CO)O 527a_100000756630_100000210174 [0,1,1,0,0,0|0,0,2]=4 1012 B13R1.2679 Cc1ccc(c(c1)C)NC(=O)CO 22a_100000736561_100000210174 [0,1,1,0,0,0|0,0,2]=4 1013 B13R1.2679 Cc1ccc(c(c1)C)NC(=O)CO 527a_100000736561_100000210174 [0,1,1,0,0,0|0,0,2]=4 1014 B13R1.2679 Cc1ccc(c(c1)Cl)NC(=O)CO 22a_100000210522_100000210174 [0,1,1,0,0,0|1,0,1]=4 1015 B13R1.2679 Cc1ccc(c(c1)F)NC(=O)CO 22a_100000211023_100000210174 [0,1,1,0,0,0|1,0,1]=4 1016 B13R1.2679 Cc1ccc(c(c1)F)NC(=O)CO 527a_100000211023_100000210174 [0,1,1,0,0,0|1,0,1]=4 1017 B13R1.2679 Cc1ccc(c(c1)O)NC(=O)CO 22a_100000211527_100000210174 [0,1,1,0,0,0|1,0,1]=4 1018 B13R1.2679 Cc1ccc(c(c1)O)NC(=O)CO 527a_100000211527_100000210174 [0,1,1,0,0,0|1,0,1]=4 1019 B13R1.2679 O=C(CO)Nc1ccc(cc1Br)O 22a_100012001276_100000210174 [0,1,1,0,0,0|1,0,1]=4 1020 B13R1.2679 O=C(CO)Nc1ccc(cc1Br)O 527a_100012001276_100000210174 [0,1,1,0,0,0|1,0,1]=4 1021 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)Cl 22a_100000185861_100000210174 [0,1,1,0,0,0|1,0,1]=4 1022 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)F 22a_100000212003_100000210174 [0,1,1,0,0,0|1,0,1]=4 1023 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)I 22a_100011218065_100000210174 [0,1,1,0,0,0|1,0,1]=4 1024 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)O 22a_100011215599_100000210174 [0,1,1,0,0,0|1,0,1]=4 1025 B13R1.2679 O=C(CO)Nc1ccc(cc1Cl)O 527a_100011215599_100000210174 [0,1,1,0,0,0|1,0,1]=4 1026 B13R1.2679 O=C(CO)Nc1ccc(cc1F)Br 22a_100000210722_100000210174 [0,1,1,0,0,0|1,0,1]=4 1027 B13R1.2679 O=C(CO)Nc1ccc(cc1F)Cl 22a_100000211020_100000210174 [0,1,1,0,0,0|1,0,1]=4 1028 B13R1.2679 O=C(CO)Nc1ccc(cc1F)F 22a_100000210720_100000210174 [0,1,1,0,0,0|1,0,1]=4 1029 B13R1.2679 O=C(CO)Nc1ccc(cc1F)I 22a_100011215594_100000210174 [0,1,1,0,0,0|1,0,1]=4 1030 B13R1.2679 O=C(CO)Nc1ccc(cc1F)O 22a_100000759473_100000210174 [0,1,1,0,0,0|1,0,1]=4 1031 B13R1.2679 O=C(CO)Nc1ccc(cc1F)O 527a_100000759473_100000210174 [0,1,1,0,0,0|1,0,1]=4 1032 B13R1.2679 O=C(CO)Nc1ccc(cc1I)F 22a_100000760547_100000210174 [0,1,1,0,0,0|1,0,1]=4 1033 B13R1.2679 O=C(CO)Nc1ccc(cc1I)O 22a_100010084370_100000210174 [0,1,1,0,0,0|1,0,1]=4 1034 B13R1.2679 O=C(CO)Nc1ccc(cc1I)O 527a_100010084370_100000210174 [0,1,1,0,0,0|1,0,1]=4 1035 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Br 22a_100000739049_100000210174 [0,1,1,0,0,0|1,0,1]=4 1036 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Br 527a_100000739049_100000210174 [0,1,1,0,0,0|1,0,1]=4 1037 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Cl 22a_100000185728_100000210174 [0,1,1,0,0,0|1,0,1]=4 1038 B13R1.2679 O=C(CO)Nc1ccc(cc1O)Cl 527a_100000185728_100000210174 [0,1,1,0,0,0|1,0,1]=4 1039 B13R1.2679 O=C(CO)Nc1ccc(cc1O)F 22a_100000753323_100000210174 [0,1,1,0,0,0|1,0,1]=4 1040 B13R1.2679 O=C(CO)Nc1ccc(cc1O)F 527a_100000753323_100000210174 [0,1,1,0,0,0|1,0,1]=4 1041 B13R1.2679 O=C(CO)Nc1ccc(cc1O)I 22a_100000057187_100000210174 [0,1,1,0,0,0|1,0,1]=4 1042 B13R1.2679 O=C(CO)Nc1ccc(cc1O)I 527a_100000057187_100000210174 [0,1,1,0,0,0|1,0,1]=4 1043 B13R1.2679 O=C(CO)Nc1ccc(cc1O)O 22a_100000106777_100000210174 [0,1,1,0,0,0|1,0,1]=4 1044 B13R1.2679 O=C(CO)Nc1ccc(cc1O)O 527a_100000106777_100000210174 [0,1,1,0,0,0|1,0,1]=4 1045 B13R1.2872 C=CC(=O)Nc1cc(ccc1Br)Br 1626a_100000737762_100000185746 [0,1,1,0,0,0|2,0,0]=4 1046 B13R1.2872 C=CC(=O)Nc1cc(ccc1Br)C 1626a_100000745044_100000185746 [0,1,1,0,0,0|2,0,0]=4 1047 B13R1.2872 C=CC(=O)Nc1cc(ccc1Br)Cl 1626a_100000687073_100000185746 [0,1,1,0,0,0|2,0,0]=4 1048 B13R1.2872 C=CC(=O)Nc1cc(ccc1Br)F 1626a_100000687223_100000185746 [0,1,1,0,0,0|2,0,0]=4 1049 B13R1.2872 C=CC(=O)Nc1cc(ccc1Br)I 1626a_100000750456_100000185746 [0,1,1,0,0,0|2,0,0]=4 1050 B13R1.2872 C=CC(=O)Nc1cc(ccc1Br)O 22a_100011999798_100000185746 [0,1,1,0,0,0|2,0,0]=4 1051 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)Br 1626a_100000741167_100000185746 [0,1,1,0,0,0|1,0,1]=4 1052 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)Br 22a_100000741167_100000185746 [0,1,1,0,0,0|1,0,1]=4 1053 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)C 1626a_100000185781_100000185746 [0,1,1,0,0,0|1,0,1]=4 1054 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)C 22a_100000185781_100000185746 [0,1,1,0,0,0|1,0,1]=4 1055 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)Cl 1626a_100000211374_100000185746 [0,1,1,0,0,0|1,0,1]=4 1056 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)Cl 22a_100000211374_100000185746 [0,1,1,0,0,0|1,0,1]=4 1057 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)F 1626a_100000211107_100000185746 [0,1,1,0,0,0|1,0,1]=4 1058 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)F 22a_100000211107_100000185746 [0,1,1,0,0,0|1,0,1]=4 1059 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)I 1626a_100000761890_100000185746 [0,1,1,0,0,0|1,0,1]=4 1060 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)I 22a_100000761890_100000185746 [0,1,1,0,0,0|1,0,1]=4 1061 B13R1.2872 C=CC(=O)Nc1cc(ccc1C)O 22a_100011216113_100000185746 [0,1,1,0,0,0|1,0,1]=4 1062 B13R1.2872 C=CC(=O)Nc1cc(ccc1Cl)Br 1626a_100000750497_100000185746 [0,1,1,0,0,0|2,0,0]=4 1063 B13R1.2872 C=CC(=O)Nc1cc(ccc1Cl)C 1626a_100011215360_100000185746 [0,1,1,0,0,0|2,0,0]=4 1064 B13R1.2872 C=CC(=O)Nc1cc(ccc1Cl)C 22a_100011215360_100000185746 [0,1,1,0,0,0|2,0,0]=4 1065 B13R1.2872 C=CC(=O)Nc1cc(ccc1Cl)Cl 1626a_100000184485_100000185746 [0,1,1,0,0,0|2,0,0]=4 1066 B13R1.2872 C=CC(=O)Nc1cc(ccc1Cl)F 1626a_100000751338_100000185746 [0,1,1,0,0,0|2,0,0]=4 1067 B13R1.2872 C=CC(=O)Nc1cc(ccc1Cl)I 1626a_200000761891_100000185746 [0,1,1,0,0,0|2,0,0]=4 1068 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)Br 1626a_100000740924_100000185746 [0,1,1,0,0,0|2,0,0]=4 1069 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)Br 22a_100000740924_100000185746 [0,1,1,0,0,0|2,0,0]=4 1070 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)C 1626a_100000211285_100000185746 [0,1,1,0,0,0|2,0,0]=4 1071 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)C 22a_100000211285_100000185746 [0,1,1,0,0,0|2,0,0]=4 1072 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)Cl 1626a_100000212115_100000185746 [0,1,1,0,0,0|2,0,0]=4 1073 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)F 1626a_100000210742_100000185746 [0,1,1,0,0,0|2,0,0]=4 1074 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)F 22a_100000210742_100000185746 [0,1,1,0,0,0|2,0,0]=4 1075 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)I 1626a_100011464823_100000185746 [0,1,1,0,0,0|2,0,0]=4 1076 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)O 1626a_100012017239_100000185746 [0,1,1,0,0,0|2,0,0]=4 1077 B13R1.2872 C=CC(=O)Nc1cc(ccc1F)O 22a_100012017239_100000185746 [0,1,1,0,0,0|2,0,0]=4 1078 B13R1.2872 C=CC(=O)Nc1cc(ccc1I)Br 1626a_100000743836_100000185746 [0,1,1,0,0,0|2,0,0]=4 1079 B13R1.2872 C=CC(=O)Nc1cc(ccc1I)C 1626a_100011216686_100000185746 [0,1,1,0,0,0|2,0,0]=4 1080 B13R1.2872 C=CC(=O)Nc1cc(ccc1I)Cl 1626a_100000761886_100000185746 [0,1,1,0,0,0|2,0,0]=4 1081 B13R1.2872 C=CC(=O)Nc1cc(ccc1I)Cl 22a_100000761886_100000185746 [0,1,1,0,0,0|2,0,0]=4 1082 B13R1.2872 C=CC(=O)Nc1cc(ccc1I)F 1626a_100011218093_100000185746 [0,1,1,0,0,0|2,0,0]=4 1083 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)Br 22a_100000752626_100000185746 [0,1,1,0,0,0|2,0,0]=4 1084 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)C 22a_100011215204_100000185746 [0,1,1,0,0,0|2,0,0]=4 1085 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)Cl 22a_100000210500_100000185746 [0,1,1,0,0,0|2,0,0]=4 1086 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)F 22a_100000759472_100000185746 [0,1,1,0,0,0|2,0,0]=4 1087 B13R1.2872 C=CC(=O)Nc1cc(ccc1O)I 22a_100000753495_100000185746 [0,1,1,0,0,0|2,0,0]=4 1088 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)C 22a_100000185781_100000210174 [0,1,1,0,0,0|0,0,2]=4 1089 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)Cl 22a_100011215360_100000210174 [0,1,1,0,0,0|1,0,1]=4 1090 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)F 22a_100000211285_100000210174 [0,1,1,0,0,0|1,0,1]=4 1091 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)F 527a_100000211285_100000210174 [0,1,1,0,0,0|1,0,1]=4 1092 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)O 22a_100011215204_100000210174 [0,1,1,0,0,0|1,0,1]=4 1093 B13R1.2872 Cc1ccc(c(c1)NC(=O)CO)O 527a_100011215204_100000210174 [0,1,1,0,0,0|1,0,1]=4 1094 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Br 22a_100000741167_100000210174 [0,1,1,0,0,0|0,0,2]=4 1095 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Br 527a_100000741167_100000210174 [0,1,1,0,0,0|0,0,2]=4 1096 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Cl 22a_100000211374_100000210174 [0,1,1,0,0,0|0,0,2]=4 1097 B13R1.2872 Cc1ccc(cc1NC(=O)CO)Cl 527a_100000211374_100000210174 [0,1,1,0,0,0|0,0,2]=4 1098 B13R1.2872 Cc1ccc(cc1NC(=O)CO)F 22a_100000211107_100000210174 [0,1,1,0,0,0|0,0,2]=4 1099 B13R1.2872 Cc1ccc(cc1NC(=O)CO)I 22a_100000761890_100000210174 [0,1,1,0,0,0|0,0,2]=4 1100 B13R1.2872 Cc1ccc(cc1NC(=O)CO)I 527a_100000761890_100000210174 [0,1,1,0,0,0|0,0,2]=4 1101 B13R1.2872 Cc1ccc(cc1NC(=O)CO)O 22a_100011216113_100000210174 [0,1,1,0,0,0|0,0,2]=4 1102 B13R1.2872 Cc1ccc(cc1NC(=O)CO)O 527a_100011216113_100000210174 [0,1,1,0,0,0|0,0,2]=4 1103 B13R1.2872 O=C(CO)Nc1cc(ccc1Br)O 22a_100011999798_100000210174 [0,1,1,0,0,0|1,0,1]=4 1104 B13R1.2872 O=C(CO)Nc1cc(ccc1Br)O 527a_100011999798_100000210174 [0,1,1,0,0,0|1,0,1]=4 1105 B13R1.2872 O=C(CO)Nc1cc(ccc1Cl)O 527a_100011934297_100000210174 [0,1,1,0,0,0|1,0,1]=4 1106 B13R1.2872 O=C(CO)Nc1cc(ccc1F)Br 22a_100000740924_100000210174 [0,1,1,0,0,0|1,0,1]=4 1107 B13R1.2872 O=C(CO)Nc1cc(ccc1F)F 22a_100000210742_100000210174 [0,1,1,0,0,0|1,0,1]=4 1108 B13R1.2872 O=C(CO)Nc1cc(ccc1F)O 22a_100012017239_100000210174 [0,1,1,0,0,0|1,0,1]=4 1109 B13R1.2872 O=C(CO)Nc1cc(ccc1F)O 527a_100012017239_100000210174 [0,1,1,0,0,0|1,0,1]=4 1110 B13R1.2872 O=C(CO)Nc1cc(ccc1I)Cl 22a_100000761886_100000210174 [0,1,1,0,0,0|1,0,1]=4 1111 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Br 22a_100000752626_100000210174 [0,1,1,0,0,0|1,0,1]=4 1112 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Br 527a_100000752626_100000210174 [0,1,1,0,0,0|1,0,1]=4 1113 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Cl 22a_100000210500_100000210174 [0,1,1,0,0,0|1,0,1]=4 1114 B13R1.2872 O=C(CO)Nc1cc(ccc1O)Cl 527a_100000210500_100000210174 [0,1,1,0,0,0|1,0,1]=4 1115 B13R1.2872 O=C(CO)Nc1cc(ccc1O)F 22a_100000759472_100000210174 [0,1,1,0,0,0|1,0,1]=4 1116 B13R1.2872 O=C(CO)Nc1cc(ccc1O)F 527a_100000759472_100000210174 [0,1,1,0,0,0|1,0,1]=4 1117 B13R1.2872 O=C(CO)Nc1cc(ccc1O)I 22a_100000753495_100000210174 [0,1,1,0,0,0|1,0,1]=4 1118 B13R1.2872 O=C(CO)Nc1cc(ccc1O)I 527a_100000753495_100000210174 [0,1,1,0,0,0|1,0,1]=4 1119 B13R1.4928 C=CC(=O)Nc1c(cccc1Br)Br 1626a_100000690995_100000185746 [0,1,1,0,0,0|2,0,0]=4 1120 B13R1.4928 C=CC(=O)Nc1c(cccc1Br)C 1626a_100011834072_100000185746 [0,1,1,0,0,0|1,0,1]=4 1121 B13R1.4928 C=CC(=O)Nc1c(cccc1Br)Cl 1626a_100102946385_100000185746 [0,1,1,0,0,0|2,0,0]=4 1122 B13R1.4928 C=CC(=O)Nc1c(cccc1Br)F 1626a_100000684712_100000185746 [0,1,1,0,0,0|2,0,0]=4 1123 B13R1.4928 C=CC(=O)Nc1c(cccc1C)C 1626a_100000185769_100000185746 [0,1,1,0,0,0|1,0,1]=4 1124 B13R1.4928 C=CC(=O)Nc1c(cccc1C)C 22a_100000185769_100000185746 [0,1,1,0,0,0|1,0,1]=4 1125 B13R1.4928 C=CC(=O)Nc1c(cccc1Cl)C 1626a_100000756524_100000185746 [0,1,1,0,0,0|1,0,1]=4 1126 B13R1.4928 C=CC(=O)Nc1c(cccc1Cl)Cl 1626a_100000210028_100000185746 [0,1,1,0,0,0|2,0,0]=4 1127 B13R1.4928 C=CC(=O)Nc1c(cccc1Cl)F 1626a_100000760031_100000185746 [0,1,1,0,0,0|2,0,0]=4 1128 B13R1.4928 C=CC(=O)Nc1c(cccc1Cl)O 22a_100012022510_100000185746 [0,1,1,0,0,0|2,0,0]=4 1129 B13R1.4928 C=CC(=O)Nc1c(cccc1F)C 1626a_100000766463_100000185746 [0,1,1,0,0,0|1,0,1]=4 1130 B13R1.4928 C=CC(=O)Nc1c(cccc1F)C 22a_100000766463_100000185746 [0,1,1,0,0,0|1,0,1]=4 1131 B13R1.4928 C=CC(=O)Nc1c(cccc1F)F 1626a_100000210704_100000185746 [0,1,1,0,0,0|2,0,0]=4 1132 B13R1.4928 C=CC(=O)Nc1c(cccc1F)O 22a_100020591140_100000185746 [0,1,1,0,0,0|2,0,0]=4 1133 B13R1.4928 C=CC(=O)Nc1c(cccc1I)Br 1626a_100010146558_100000185746 [0,1,1,0,0,0|2,0,0]=4 1134 B13R1.4928 C=CC(=O)Nc1c(cccc1I)Cl 1626a_100010190421_100000185746 [0,1,1,0,0,0|2,0,0]=4 1135 B13R1.4928 C=CC(=O)Nc1c(cccc1I)F 1626a_100000042321_100000185746 [0,1,1,0,0,0|2,0,0]=4 1136 B13R1.4928 C=CC(=O)Nc1c(cccc1I)O 22a_200000049512_100000185746 [0,1,1,0,0,0|2,0,0]=4 1137 B13R1.4928 C=CC(=O)Nc1c(cccc1O)C 22a_100000743429_100000185746 [0,1,1,0,0,0|1,0,1]=4 1138 B13R1.4928 C=CC(=O)Nc1c(cccc1O)O 22a_100011995820_100000185746 [0,1,1,0,0,0|2,0,0]=4 1139 B13R1.4928 Cc1cccc(c1NC(=O)CO)C 22a_100000185769_100000210174 [0,1,1,0,0,0|0,0,2]=4 1140 B13R1.4928 Cc1cccc(c1NC(=O)CO)F 22a_100000766463_100000210174 [0,1,1,0,0,0|0,0,2]=4 1141 B13R1.4928 Cc1cccc(c1NC(=O)CO)O 22a_100000743429_100000210174 [0,1,1,0,0,0|0,0,2]=4 1142 B13R1.4928 Cc1cccc(c1NC(=O)CO)O 527a_100000743429_100000210174 [0,1,1,0,0,0|0,0,2]=4 1143 B13R1.4928 O=C(CO)Nc1c(cccc1Br)O 527a_100011934926_100000210174 [0,1,1,0,0,0|1,0,1]=4 1144 B13R1.4928 O=C(CO)Nc1c(cccc1Cl)O 22a_100012022510_100000210174 [0,1,1,0,0,0|1,0,1]=4 1145 B13R1.4928 O=C(CO)Nc1c(cccc1Cl)O 527a_100012022510_100000210174 [0,1,1,0,0,0|1,0,1]=4 1146 B13R1.4928 O=C(CO)Nc1c(cccc1F)O 22a_100020591140_100000210174 [0,1,1,0,0,0|1,0,1]=4 1147 B13R1.4928 O=C(CO)Nc1c(cccc1F)O 527a_100020591140_100000210174 [0,1,1,0,0,0|1,0,1]=4 1148 B13R1.4928 O=C(CO)Nc1c(cccc1I)O 22a_200000049512_100000210174 [0,1,1,0,0,0|1,0,1]=4 1149 B13R1.4928 O=C(CO)Nc1c(cccc1I)O 527a_200000049512_100000210174 [0,1,1,0,0,0|1,0,1]=4 1150 B13R1.4928 O=C(CO)Nc1c(cccc1O)O 22a_100011995820_100000210174 [0,1,1,0,0,0|1,0,1]=4 1151 B13R1.4928 O=C(CO)Nc1c(cccc1O)O 527a_100011995820_100000210174 [0,1,1,0,0,0|1,0,1]=4 1152 B13R1.511 C=C(C)CSc1c[nH]c(=O)c(c1)O 62a_100000748629_100009814561 [0,1,1,0,0,0|1,0,1]=4 1153 B13R1.511 C=C(F)CSc1c[nH]c(=O)c(c1)O 62a_100000042424_100009814561 [0,1,1,0,0,0|1,0,1]=4 1154 B13R1.511 CC(C)C=Cc1c[nH]c(=O)c(c1)O 271570a_100016257149_100009814561 [0,1,1,0,0,0|0,0,2]=4 1155 B13R1.511 CC(O)C=Cc1c[nH]c(=O)c(c1)O 271570a_200011019289_100009814561 [0,1,1,0,0,0|0,0,2]=4 1156 B13R1.575 C=CCSc1c[nH]c(=O)c(c1)OC 62a_100000210623_100010125397 [0,1,1,0,0,0|1,0,1]=4 1157 B13R1.669 C/C=C/CSc1c[nH]c(=O)c(c1)O 62a_100102629194_100009814561 [0,1,1,0,0,0|0,0,2]=4 1158 B13R1.669 C=CCCSc1c[nH]c(=O)c(c1)O 62a_100000754431_100009814561 [0,1,1,0,0,0|0,0,2]=4 1159 B13R1.669 CC=CCSc1c[nH]c(=O)c(c1)O 62a_100000070051_100009814561 [0,1,1,0,0,0|0,0,2]=4 1160 B13R1.669 CCCC=Cc1c[nH]c(=O)c(c1)O 271570a_100016258520_100009814561 [0,1,1,0,0,0|0,0,2]=4 1161 B13R1.669 CCOC=Cc1c[nH]c(=O)c(c1)O 271570a_100016256518_100009814561 [0,1,1,0,0,0|0,0,2]=4 1162 B13R1.669 COCC=Cc1c[nH]c(=O)c(c1)O 271570a_100016286323_100009814561 [0,1,1,0,0,0|0,0,2]=4 1163 B13R1.2879 C=CC(C)Sc1c[nH]c(=O)c(c1)O 62a_100011215867_100009814561 [0,1,1,0,0,0|1,0,1]=4 1164 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [1,1,0,0,0,0|1,0,0]=3 1165 B13R2.32 Cc1c(ccc2c1cccn2)O 271570a_203496583355_200010137439 [1,1,0,0,0,0|2,0,0]=4 1166 B13R2.32 Cc1c(ccc2c1nccc2)O 271570a_203496583355_100010214467 [1,1,0,0,0,0|2,0,0]=4 1167 B13R2.32 Cc1ccc2ccccc2c1O 271570a_203496583355_100000759710 [1,1,0,0,0,0|2,0,0]=4 1168 B13R2.32 Cc1cnc2ccccc2c1O 271570a_203496583355_100000092342 [1,1,0,0,0,0|1,0,1]=4 1169 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [1,1,0,0,0,0|1,0,0]=3 1170 B13R2.32 Nc1c(ccc2c1cccn2)O 271570a_203496583355_200010235790 [1,1,0,0,0,0|2,0,0]=4 1171 B13R2.32 Nc1c(ccc2c1ccnc2)O 271570a_203496583355_100010191621 [1,1,0,0,0,0|2,0,0]=4 1172 B13R2.32 Nc1c(cnc2c1cccc2)O 271570a_203496583355_100009995562 [1,1,0,0,0,0|0,0,1]=3 1173 B13R2.32 Nc1c(ncc2c1cccc2)O 271570a_203496583355_100000087573 [1,1,0,0,0,0|2,0,0]=4 1174 B13R2.32 Nc1ccc2ccccc2c1O 271570a_203496583355_100000705303 [1,1,0,0,0,0|2,0,0]=4 1175 B13R2.32 Nc1cnc2ccccc2c1O 271570a_203496583355_100012243074 [1,1,0,0,0,0|1,0,1]=4 1176 B13R2.32 O=c1c(c[nH]c2c1cccc2)O 271570a_203496583355_100012339567 [1,1,0,0,0,0|0,0,0]=2 1177 B13R2.32 O=c1c(coc2c1cccc2)O 271570a_203496583355_100009813851 [1,1,0,0,0,0|1,0,0]=3 1178 B13R2.32 Oc1c(ccc2c1cccc2)Br 271570a_203496583355_100010090040 [1,1,0,0,0,0|2,0,0]=4 1179 B13R2.32 Oc1c(cnc2c1cccc2)Br 271570a_203496583355_200010179490 [1,1,0,0,0,0|1,0,1]=4 1180 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [1,1,0,0,0,0|1,0,0]=3 1181 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [1,1,0,0,0,0|1,0,0]=3 1182 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [1,1,0,0,0,0|1,0,0]=3 1183 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [1,1,0,0,0,0|1,0,0]=3 1184 B13R2.32 Oc1ccc2cccnc2c1F 271570a_203496583355_100010751467 [1,1,0,0,0,0|2,0,0]=4 1185 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100009816563 [1,1,0,0,0,0|2,0,0]=4 1186 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100010173343 [1,1,0,0,0,0|2,0,0]=4 1187 B13R2.32 Oc1ccc2ccncc2c1O 271570a_203496583355_200010115057 [1,1,0,0,0,0|2,0,0]=4 1188 B13R2.32 Oc1cnc2ccccc2c1Cl 271570a_203496583355_100012352519 [1,1,0,0,0,0|0,0,1]=3 1189 B13R2.32 Oc1nnc2ccccc2c1O 271570a_203496583355_100000688347 [1,1,0,0,0,0|1,0,1]=4 1190 B13R2.57 C=Cc1ccc2ccccc2c1 271570a_100011290941_100000233703 [1,1,0,0,0,0|2,0,0]=4 1191 B13R2.57 C=Cc1ccc2ccccc2n1 271570a_100011290941_100011291633 [1,1,0,0,0,0|1,0,1]=4 1192 B13R2.57 C=Cc1cnc2ccccc2c1 271570a_100011290941_100000737414 [1,1,0,0,0,0|1,0,1]=4 1193 B13R2.57 CNc1ccc2ccccc2c1 34a_100000211940_200000210301 [1,1,0,0,0,0|2,0,0]=4 1194 B13R2.57 CNc1ccc2ccccc2c1 7a_100000211940_200000210301 [1,1,0,0,0,0|2,0,0]=4 1195 B13R2.57 CNc1ccc2ccccc2n1 27a_100102657272_100011291633 [1,1,0,0,0,0|1,0,1]=4 1196 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [1,1,0,0,0,0|1,0,0]=3 1197 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [1,1,0,0,0,0|1,0,0]=3 1198 B13R2.57 COc1ccc2cccnc2c1 34a_100011216045_200000210301 [1,1,0,0,0,0|2,0,0]=4 1199 B13R2.57 COc1ccc2ccncc2c1 7a_100000752006_200000210301 [1,1,0,0,0,0|2,0,0]=4 1200 B13R2.57 COc1ccc2cnccc2c1 34a_100000046372_200000210301 [1,1,0,0,0,0|2,0,0]=4 1201 B13R2.57 COc1ccc2cnccc2c1 7a_100000046372_200000210301 [1,1,0,0,0,0|2,0,0]=4 1202 B13R2.57 COc1ccc2ncccc2c1 34a_100011215586_200000210301 [1,1,0,0,0,0|2,0,0]=4 1203 B13R2.57 COc1ccc2ncccc2c1 7a_100011215586_200000210301 [1,1,0,0,0,0|2,0,0]=4 1204 B13R2.57 COc1cnc2ccccc2c1 34a_100011934006_200000210301 [1,1,0,0,0,0|0,0,1]=3 1205 B13R2.57 COc1cnc2ccccc2c1 7a_100011934006_200000210301 [1,1,0,0,0,0|0,0,1]=3 1206 B13R2.57 CSc1ccc2ccccc2c1 62a_200000210301_100000233703 [1,1,0,0,0,0|1,1,0]=4 1207 B13R2.57 CSc1ccc2ccccc2n1 62a_100011291633_200000210301 [1,1,0,0,0,0|0,1,1]=4 1208 B13R2.57 CSc1ccc2ccccc2n1 62a_200000210301_100011291633 [1,1,0,0,0,0|0,1,1]=4 1209 B13R2.57 CSc1cnc2ccccc2c1 62a_200000210301_100000737414 [1,1,0,0,0,0|0,1,1]=4 1210 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 34a_100000211940_200025704644 [1,1,0,0,0,0|2,0,0]=4 1211 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 7a_100000211940_200025704644 [1,1,0,0,0,0|2,0,0]=4 1212 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [1,1,0,0,0,0|1,0,0]=3 1213 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [1,1,0,0,0,0|1,0,0]=3 1214 B13R2.57 [13CH3]Oc1ccc2cccnc2c1 34a_100011216045_200025704644 [1,1,0,0,0,0|2,0,0]=4 1215 B13R2.57 [13CH3]Oc1ccc2ccncc2c1 7a_100000752006_200025704644 [1,1,0,0,0,0|2,0,0]=4 1216 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 34a_100000046372_200025704644 [1,1,0,0,0,0|2,0,0]=4 1217 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 7a_100000046372_200025704644 [1,1,0,0,0,0|2,0,0]=4 1218 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 34a_100011215586_200025704644 [1,1,0,0,0,0|2,0,0]=4 1219 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 7a_100011215586_200025704644 [1,1,0,0,0,0|2,0,0]=4 1220 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 34a_100011934006_200025704644 [1,1,0,0,0,0|0,0,1]=3 1221 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 7a_100011934006_200025704644 [1,1,0,0,0,0|0,0,1]=3 1222 B13R2.57 [13CH3]Sc1ccc2ccccc2c1 62a_200025704644_100000233703 [1,1,0,0,0,0|1,1,0]=4 1223 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_100011291633_200025704644 [1,1,0,0,0,0|0,1,1]=4 1224 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_200025704644_100011291633 [1,1,0,0,0,0|0,1,1]=4 1225 B13R2.57 [13CH3]Sc1cnc2ccccc2c1 62a_200025704644_100000737414 [1,1,0,0,0,0|0,1,1]=4 1226 B13R2.155 Cc1ccc2ccc(cc2n1)O 271570a_203496583355_100009817087 [1,1,0,0,0,0|1,0,1]=4 1227 B13R2.155 Cc1ccc2ncc(cc2c1)O 271570a_203496583355_100015841224 [1,1,0,0,0,0|0,0,1]=3 1228 B13R2.155 Cc1cnc2ccc(cc2c1)O 271570a_203496583355_100009817055 [1,1,0,0,0,0|1,0,1]=4 1229 B13R2.155 Nc1cc2cc(ccc2cn1)O 271570a_203496583355_100009817123 [1,1,0,0,0,0|2,0,0]=4 1230 B13R2.155 Nc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090036 [1,1,0,0,0,0|1,0,0]=3 1231 B13R2.155 Nc1ccc2ccc(cc2n1)O 271570a_203496583355_100010187616 [1,1,0,0,0,0|1,0,1]=4 1232 B13R2.155 Nc1ccc2ncc(cc2c1)O 271570a_203496583355_100009888932 [1,1,0,0,0,0|0,0,1]=3 1233 B13R2.155 O=C1CCc2ccc(cc2N1)O 271570a_203496583355_100000763451 [1,1,0,0,0,0|0,0,2]=4 1234 B13R2.155 O=C1COc2ccc(cc2N1)O 271570a_203496583355_100000244627 [1,1,0,0,0,0|1,0,1]=4 1235 B13R2.155 O=C1CSc2ccc(cc2N1)O 271570a_203496583355_100012361575 [1,1,0,0,0,0|1,0,1]=4 1236 B13R2.155 O=C1NCc2ccc(cc2N1)O 271570a_203496583355_100010161048 [1,1,0,0,0,0|1,0,1]=4 1237 B13R2.155 O=C1Nc2cc(ccc2CO1)O 271570a_203496583355_100000726308 [1,1,0,0,0,0|1,0,1]=4 1238 B13R2.155 O=c1ccc2ccc(cc2o1)O 271570a_203496583355_100009993525 [1,1,0,0,0,0|1,0,0]=3 1239 B13R2.155 O=c1ccc2cnc(cc2[nH]1)O 271570a_203496583355_100010563892 [1,1,0,0,0,0|1,0,0]=3 1240 B13R2.155 Oc1cc2cc(ccc2cn1)F 271570a_203496583355_100009828686 [1,1,0,0,0,0|2,0,0]=4 1241 B13R2.155 Oc1ccc2ccc(cc2c1)O 271570a_203496583355_100009816537 [1,1,0,0,0,0|1,0,0]=3 1242 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000079174 [1,1,0,0,0,0|0,0,2]=4 1243 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000690401 [1,1,0,0,0,0|0,0,2]=4 1244 B13R2.155 Oc1ccc2cnc(cc2c1)F 271570a_203496583355_100010291885 [1,1,0,0,0,0|2,0,0]=4 1245 B13R2.155 Oc1ccc2cnc(cc2c1)O 271570a_203496583355_100009817130 [1,1,0,0,0,0|2,0,0]=4 1246 B13R2.155 Oc1ccc2ncc(cc2c1)Br 271570a_203496583355_200010254249 [1,1,0,0,0,0|1,0,1]=4 1247 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100000703654 [1,1,0,0,0,0|0,0,1]=3 1248 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100010137430 [1,1,0,0,0,0|0,0,1]=3 1249 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_100010000190 [1,1,0,0,0,0|1,0,1]=4 1250 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_200020640061 [1,1,0,0,0,0|1,0,1]=4 1251 B13R2.155 Oc1cnc2ccc(cc2c1)Br 271570a_203496583355_100010740133 [1,1,0,0,0,0|0,0,1]=3 1252 B13R2.155 Oc1cnc2ccc(cc2c1)Cl 271570a_203496583355_100015929906 [1,1,0,0,0,0|0,0,1]=3 1253 B13R2.155 Oc1cnc2ccc(nc2c1)O 271570a_203496583355_100010009477 [1,1,0,0,0,0|1,0,1]=4 1254 B13R2.155 [O-][n+]1ccc2ccc(cc2c1)O 271570a_203496583355_100009816120 [1,1,0,0,0,0|2,0,0]=4 1255 B13R2.162 Cc1ccc2cccc(c2n1)O 271570a_203496583355_100011934484 [1,1,0,0,0,0|1,0,1]=4 1256 B13R2.162 Cc1cccc2c1cc(cc2)O 271570a_203496583355_100010089936 [1,1,0,0,0,0|1,0,0]=3 1257 B13R2.162 Cc1cccc2c1nc(cc2)O 271570a_203496583355_100012002297 [1,1,0,0,0,0|0,0,2]=4 1258 B13R2.162 Cc1ccnc2c1cc(cc2)O 271570a_203496583355_100009817033 [1,1,0,0,0,0|2,0,0]=4 1259 B13R2.162 Cc1nccc2c1cc(cc2)O 271570a_203496583355_200010739692 [1,1,0,0,0,0|2,0,0]=4 1260 B13R2.162 Nc1ccc2cccc(c2n1)O 271570a_203496583355_100000687151 [1,1,0,0,0,0|1,0,1]=4 1261 B13R2.162 Nc1cccc2c1cc(cc2)O 271570a_203496583355_100010090012 [1,1,0,0,0,0|1,0,0]=3 1262 B13R2.162 Nc1cccc2c1cc(cn2)O 271570a_203496583355_100010264086 [1,1,0,0,0,0|0,0,1]=3 1263 B13R2.162 Nc1ccnc2c1cc(cc2)O 271570a_203496583355_100011620571 [1,1,0,0,0,0|2,0,0]=4 1264 B13R2.162 Nc1nccc2c1cc(cc2)O 271570a_203496583355_100012352255 [1,1,0,0,0,0|2,0,0]=4 1265 B13R2.162 O=c1[nH]ccc2c1cc(cn2)O 271570a_203496583355_100010134370 [1,1,0,0,0,0|1,0,1]=4 1266 B13R2.162 O=c1cc[nH]c2c1cc(cc2)O 271570a_203496583355_100000746092 [1,1,0,0,0,0|2,0,0]=4 1267 B13R2.162 O=c1ccc2cccc(c2[nH]1)O 271570a_203496583355_100000688906 [1,1,0,0,0,0|0,0,0]=2 1268 B13R2.162 O=c1ccoc2c1cc(cc2)O 271570a_203496583355_100009813387 [1,1,0,0,0,0|2,0,0]=4 1269 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010089991 [1,1,0,0,0,0|1,0,0]=3 1270 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010169565 [1,1,0,0,0,0|1,0,0]=3 1271 B13R2.162 Oc1ccc2cccc(c2n1)F 271570a_203496583355_100012017632 [1,1,0,0,0,0|0,0,2]=4 1272 B13R2.162 Oc1ccc2cccc(c2n1)O 271570a_203496583355_100010153751 [1,1,0,0,0,0|0,0,2]=4 1273 B13R2.162 Oc1ccc2ccnc(c2c1)O 271570a_203496583355_100000010956 [1,1,0,0,0,0|2,0,0]=4 1274 B13R2.162 Oc1ccc2ccnc(c2c1)O 271570a_203496583355_200009844553 [1,1,0,0,0,0|2,0,0]=4 1275 B13R2.162 Oc1ccc2cncc(c2c1)O 271570a_203496583355_100010136424 [1,1,0,0,0,0|2,0,0]=4 1276 B13R2.162 Oc1ccc2nccc(c2c1)Cl 271570a_203496583355_100011310491 [1,1,0,0,0,0|2,0,0]=4 1277 B13R2.162 Oc1ccc2nccc(c2c1)O 271570a_203496583355_100000075933 [1,1,0,0,0,0|2,0,0]=4 1278 B13R2.162 Oc1cnc2cccc(c2c1)O 271570a_203496583355_200010153752 [1,1,0,0,0,0|0,0,1]=3 1279 B13R2.328 Cc1cc(c2ccccc2n1)O 271570a_203496583355_100000764982 [1,1,0,0,0,0|1,0,1]=4 1280 B13R2.328 Cc1cc(cc2c1nccc2)O 271570a_203496583355_100010130319 [1,1,0,0,0,0|2,0,0]=4 1281 B13R2.328 Cc1cc(nc2c1cccc2)O 271570a_203496583355_100012354972 [1,1,0,0,0,0|0,0,2]=4 1282 B13R2.328 Nc1cc(c2ccccc2c1)O 271570a_203496583355_100010089974 [1,1,0,0,0,0|2,0,0]=4 1283 B13R2.328 Nc1cc(cc2c1cccc2)O 271570a_203496583355_100010171453 [1,1,0,0,0,0|1,0,0]=3 1284 B13R2.328 Nc1cc(cc2c1cccn2)O 271570a_203496583355_200010263263 [1,1,0,0,0,0|2,0,0]=4 1285 B13R2.328 Nc1cc(cc2c1nccc2)O 271570a_203496583355_100009814519 [1,1,0,0,0,0|2,0,0]=4 1286 B13R2.328 Nc1cc(nc2c1cccc2)O 271570a_203496583355_100010197925 [1,1,0,0,0,0|0,0,2]=4 1287 B13R2.328 Nc1nc(cc2c1cccc2)O 271570a_203496583355_100009957331 [1,1,0,0,0,0|2,0,0]=4 1288 B13R2.328 O=c1cc([nH]c2c1cccc2)O 271570a_203496583355_100000090176 [1,1,0,0,0,0|0,0,1]=3 1289 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [1,1,0,0,0,0|0,0,0]=2 1290 B13R2.328 O=c1cc(c2cccnc2[nH]1)O 271570a_203496583355_100010499609 [1,1,0,0,0,0|1,0,0]=3 1291 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [1,1,0,0,0,0|1,0,0]=3 1292 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [1,1,0,0,0,0|1,0,0]=3 1293 B13R2.328 Oc1cc(c2cnccc2c1)F 271570a_203496583355_100011068762 [1,1,0,0,0,0|2,0,0]=4 1294 B13R2.328 Oc1cc(c2cnccc2c1)O 271570a_203496583355_100011009069 [1,1,0,0,0,0|2,0,0]=4 1295 B13R2.328 Oc1cc(c2ncccc2c1)Cl 271570a_203496583355_200010369337 [1,1,0,0,0,0|2,0,0]=4 1296 B13R2.328 Oc1cc(c2ncccc2c1)F 271570a_203496583355_100010234705 [1,1,0,0,0,0|2,0,0]=4 1297 B13R2.328 Oc1cc(c2ncccc2c1)O 271570a_203496583355_100010248853 [1,1,0,0,0,0|2,0,0]=4 1298 B13R2.328 [O-][n+]1cc(cc2c1cccc2)O 271570a_203496583355_200010000521 [1,1,0,0,0,0|0,0,1]=3 1299 B13R2.3683 C[n+]1ccc2cc(ccc2c1)O 271570a_203496583355_100015191232 [1,1,0,0,0,0|2,0,0]=4 1300 B13R2.3683 Cc1ccc2cc(ccc2n1)O 271570a_203496583355_100000686635 [1,1,0,0,0,0|1,0,1]=4 1301 B13R2.3683 Cc1ccc2nc(ccc2c1)O 271570a_203496583355_100011865911 [1,1,0,0,0,0|0,0,2]=4 1302 B13R2.3683 Cc1cnc2cc(ccc2c1)O 271570a_203496583355_100010751441 [1,1,0,0,0,0|1,0,1]=4 1303 B13R2.3683 Nc1cc2ccc(cc2cn1)O 271570a_203496583355_100010232990 [1,1,0,0,0,0|2,0,0]=4 1304 B13R2.3683 Nc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185457 [1,1,0,0,0,0|1,0,0]=3 1305 B13R2.3683 Nc1ccc2cc(ccc2n1)O 271570a_203496583355_100011934619 [1,1,0,0,0,0|1,0,1]=4 1306 B13R2.3683 Nc1ccc2cc(cnc2c1)O 271570a_203496583355_200010264087 [1,1,0,0,0,0|0,0,1]=3 1307 B13R2.3683 Nc1ccc2cc(cnc2n1)O 271570a_203496583355_100010214896 [1,1,0,0,0,0|1,0,1]=4 1308 B13R2.3683 Nc1ccc2nc(cnc2c1)O 271570a_203496583355_100009885871 [1,1,0,0,0,0|1,0,1]=4 1309 B13R2.3683 Nc1cnc2cc(ccc2c1)O 271570a_203496583355_100010142226 [1,1,0,0,0,0|1,0,1]=4 1310 B13R2.3683 O=C1CCc2cc(ccc2N1)O 271570a_203496583355_100000754843 [1,1,0,0,0,0|0,0,2]=4 1311 B13R2.3683 O=C1CNc2cc(ccc2N1)O 271570a_203496583355_100000693460 [1,1,0,0,0,0|1,0,1]=4 1312 B13R2.3683 O=C1COc2cc(ccc2N1)O 271570a_203496583355_100000745508 [1,1,0,0,0,0|1,0,1]=4 1313 B13R2.3683 O=C1CSc2cc(ccc2N1)O 271570a_203496583355_100011830382 [1,1,0,0,0,0|1,0,1]=4 1314 B13R2.3683 O=C1NCc2cc(ccc2N1)O 271570a_203496583355_100010171468 [1,1,0,0,0,0|1,0,1]=4 1315 B13R2.3683 O=C1Nc2ccc(cc2CO1)O 271570a_203496583355_100010219366 [1,1,0,0,0,0|1,0,1]=4 1316 B13R2.3683 O=c1ccc2cc(ccc2[nH]1)O 271570a_203496583355_100011934725 [1,1,0,0,0,0|0,0,0]=2 1317 B13R2.3683 O=c1ccc2cc(ccc2o1)O 271570a_203496583355_100009999946 [1,1,0,0,0,0|1,0,0]=3 1318 B13R2.3683 O=c1cnc2cc(ccc2[nH]1)O 271570a_203496583355_100010209493 [1,1,0,0,0,0|1,0,0]=3 1319 B13R2.3683 O=c1cnc2cc(cnc2[nH]1)O 271570a_203496583355_200010159638 [1,1,0,0,0,0|2,0,0]=4 1320 B13R2.3683 Oc1ccc2cc(ccc2c1)Br 271570a_203496583355_100012344972 [1,1,0,0,0,0|1,0,0]=3 1321 B13R2.3683 Oc1ccc2cc(ccc2c1)F 271570a_203496583355_100009817052 [1,1,0,0,0,0|1,0,0]=3 1322 B13R2.3683 Oc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185455 [1,1,0,0,0,0|1,0,0]=3 1323 B13R2.3683 Oc1ccc2cc(ccc2n1)F 271570a_203496583355_100011998705 [1,1,0,0,0,0|0,0,2]=4 1324 B13R2.3683 Oc1ccc2cc(cnc2c1)Br 271570a_203496583355_200015509644 [1,1,0,0,0,0|1,0,1]=4 1325 B13R2.3683 Oc1ccc2cc(cnc2c1)F 271570a_203496583355_100010751466 [1,1,0,0,0,0|1,0,1]=4 1326 B13R2.3683 Oc1ccc2nc(ccc2c1)Cl 271570a_203496583355_200012034268 [1,1,0,0,0,0|1,0,1]=4 1327 B13R2.3683 Oc1ccc2nc(ccc2c1)O 271570a_203496583355_100009849208 [1,1,0,0,0,0|0,0,2]=4 1328 B13R2.3683 Oc1ccc2nc(cnc2c1)O 271570a_203496583355_200010664160 [1,1,0,0,0,0|1,0,1]=4 1329 B13R2.3683 Oc1cnc2cc(ccc2c1)Cl 271570a_203496583355_100015716233 [1,1,0,0,0,0|0,0,1]=3 1330 B13R2.3683 Oc1cnc2cc(ccc2c1)O 271570a_203496583355_200010153753 [1,1,0,0,0,0|0,0,1]=3 1331 B13R2.3683 Oc1cnc2cc(ccc2n1)F 271570a_203496583355_100000098432 [1,1,0,0,0,0|1,0,1]=4 1332 B13R2.3683 Oc1cnc2nc(ccc2c1)O 271570a_203496583355_100009814606 [1,1,0,0,0,0|1,0,1]=4 1333 B13R2.5179 Cc1ccc2c(cccc2n1)O 271570a_203496583355_100010173736 [1,1,0,0,0,0|1,0,1]=4 1334 B13R2.5179 Cc1cccc2c1ncc(c2)O 271570a_203496583355_100009829671 [1,1,0,0,0,0|0,0,1]=3 1335 B13R2.5179 Cc1ccnc2c1ccc(c2)O 271570a_203496583355_100010132309 [1,1,0,0,0,0|2,0,0]=4 1336 B13R2.5179 Nc1ccc2c(cccc2n1)O 271570a_203496583355_100000723655 [1,1,0,0,0,0|1,0,1]=4 1337 B13R2.5179 Nc1cccc2c1ccc(c2)O 271570a_203496583355_100010090037 [1,1,0,0,0,0|1,0,0]=3 1338 B13R2.5179 Nc1cccc2c1ncc(c2)O 271570a_203496583355_100000702407 [1,1,0,0,0,0|0,0,1]=3 1339 B13R2.5179 Nc1ccnc2c1ccc(c2)O 271570a_203496583355_200009816820 [1,1,0,0,0,0|2,0,0]=4 1340 B13R2.5179 Nc1nccc2c1ccc(c2)O 271570a_203496583355_100000732483 [1,1,0,0,0,0|2,0,0]=4 1341 B13R2.5179 O=C1CCc2c(cccc2N1)O 271570a_203496583355_100010232564 [1,1,0,0,0,0|0,0,2]=4 1342 B13R2.5179 O=C1COc2c(cccc2N1)O 271570a_203496583355_100012355675 [1,1,0,0,0,0|1,0,1]=4 1343 B13R2.5179 O=c1ccc2c(cccc2[nH]1)O 271570a_203496583355_100000726145 [1,1,0,0,0,0|0,0,0]=2 1344 B13R2.5179 O=c1ccoc2c1ccc(c2)O 271570a_203496583355_100010062221 [1,1,0,0,0,0|2,0,0]=4 1345 B13R2.5179 Oc1cc2cccc(c2cn1)O 271570a_203496583355_100009817091 [1,1,0,0,0,0|2,0,0]=4 1346 B13R2.5179 Oc1ccc2c(cccc2c1)O 271570a_203496583355_100010202202 [1,1,0,0,0,0|1,0,0]=3 1347 B13R2.5179 Oc1ccc2c(ccnc2c1)Cl 271570a_203496583355_100009996786 [1,1,0,0,0,0|2,0,0]=4 1348 B13R2.5179 Oc1ccc2c(ccnc2c1)O 271570a_203496583355_100000045489 [1,1,0,0,0,0|2,0,0]=4 1349 B13R2.5179 Oc1ccc2c(ccnc2c1)O 271570a_203496583355_100000756855 [1,1,0,0,0,0|2,0,0]=4 1350 B13R2.5179 Oc1ccc2c(nccc2c1)O 271570a_203496583355_100000760485 [1,1,0,0,0,0|2,0,0]=4 1351 B13R2.5179 Oc1ccc2c(nccc2c1)O 271570a_203496583355_100009867704 [1,1,0,0,0,0|2,0,0]=4 1352 B13R2.5179 Oc1cnc2c(cccc2c1)Br 271570a_203496583355_100010204298 [1,1,0,0,0,0|0,0,1]=3 1353 B13R2.5179 Oc1cnc2c(cccc2c1)Cl 271570a_203496583355_100000759377 [1,1,0,0,0,0|0,0,1]=3 1354 B13R2.5179 Oc1cnc2c(cccc2c1)F 271570a_203496583355_100000049890 [1,1,0,0,0,0|0,0,1]=3 1355 B13R2.5179 Oc1cnc2c(nccc2c1)O 271570a_203496583355_100010117065 [1,1,0,0,0,0|1,0,1]=4 1356 B13R2.45 COc1cc2ccccc2n1C 34a_100000066695_200000210301 [0,1,0,0,1,0|2,0,0]=4 1357 B13R2.45 Cn1c(cc2c1cccc2)O[13CH3] 34a_100000066695_200025704644 [0,1,0,0,1,0|2,0,0]=4 1358 B13R2.45 O=Cc1sc2ccccc2c1O 271570a_203496583355_100009816528 [0,1,0,0,1,0|1,0,0]=3 1359 B13R2.135 CSC1C(=O)Nc2c1cccc2 62a_200000210301_200009996675 [0,1,0,0,1,0|0,1,1]=4 1360 B13R2.135 [13CH3]SC1C(=O)Nc2c1cccc2 62a_200025704644_200009996675 [0,1,0,0,1,0|0,1,1]=4 1361 B13R2.3028 CC1C(=O)Nc2c1cc(cc2)O 271570a_203496583355_100010251565 [0,1,0,0,1,0|1,0,1]=4 1362 B13R2.3028 Cc1[nH]c2ccc(cc2c1C)O 271570a_203496583355_100012262263 [0,1,0,0,1,0|2,0,0]=4 1363 B13R2.3028 Cn1c(=O)[nH]c2c1cc(cc2)O 271570a_203496583355_100010393459 [0,1,0,0,1,0|2,0,0]=4 1364 B13R2.3028 O=C1Nc2ccc(cc2C1=O)O 271570a_203496583355_100000024671 [0,1,0,0,1,0|0,0,1]=3 1365 B13R2.3028 O=C1Nc2ncc(cc2C1=O)O 271570a_203496583355_100010174890 [0,1,0,0,1,0|1,0,1]=4 1366 B13R2.4825 O=C1Nc2c(cccc2C1=O)O 271570a_203496583355_100000183292 [0,1,0,0,1,0|0,0,1]=3 1367 B13R2.4856 Cn1c(=O)[nH]c2c1c(ccc2)O 271570a_203496583355_100010994120 [0,1,0,0,1,0|2,0,0]=4 1368 B13R2.4856 O=C1Nc2cccc(c2C1=O)O 271570a_203496583355_100000697038 [0,1,0,0,1,0|0,0,1]=3 1369 B13R2.5190 CC1C(=O)Nc2c1ccc(c2)O 271570a_203496583355_100010201481 [0,1,0,0,1,0|1,0,1]=4 1370 B13R2.5190 O=C1Nc2cc(ccc2C1=O)O 271570a_203496583355_100000239657 [0,1,0,0,1,0|0,0,1]=3 1371 B15R2.2114 COC1CCc2ccccc2NC1=O 34a_100138415774_100000717020 [0,1,0,0,0,1|0,0,2]=4 1372 B15R2.117 C=Cc1cc2ccccc2cc1OC 271570a_100011290941_100009817100 [0,2,0,0,0,0|2,0,0]=4 1373 B15R2.117 C=Cc1nc2ccccc2cc1CO 271570a_100011290941_100000754719 [0,2,0,0,0,0|1,0,1]=4 1374 B15R2.117 CNc1nc2ccccc2cc1CO 27a_100102657272_100000754719 [0,2,0,0,0,0|1,0,1]=4 1375 B15R2.117 COc1cc2ccccc2cc1C#N 34a_100009851763_200000210301 [0,2,0,0,0,0|2,0,0]=4 1376 B15R2.117 COc1cc2ccccc2cc1C#N 7a_100009851763_200000210301 [0,2,0,0,0,0|2,0,0]=4 1377 B15R2.117 COc1cc2ccccc2cc1OC 34a_200011203880_200000210301 [0,2,0,0,0,0|1,0,1]=4 1378 B15R2.117 COc1cc2ccccc2cc1OC 7a_200011203880_200000210301 [0,2,0,0,0,0|1,0,1]=4 1379 B15R2.117 COc1cc2ccccc2cc1O[13CH3] 34a_200011203880_200025704644 [0,2,0,0,0,0|1,0,1]=4 1380 B15R2.117 COc1cc2ccccc2cc1O[13CH3] 7a_200011203880_200025704644 [0,2,0,0,0,0|1,0,1]=4 1381 B15R2.117 COc1cc2ccccc2cc1SC 62a_100009817100_200000210301 [0,2,0,0,0,0|1,1,0]=4 1382 B15R2.117 COc1cc2ccccc2cc1SC 62a_200000210301_100009817100 [0,2,0,0,0,0|1,1,0]=4 1383 B15R2.117 COc1cc2ccccc2cc1S[13CH3] 62a_100009817100_200025704644 [0,2,0,0,0,0|1,1,0]=4 1384 B15R2.117 COc1cc2ccccc2cc1S[13CH3] 62a_200025704644_100009817100 [0,2,0,0,0,0|1,1,0]=4 1385 B15R2.117 CSc1nc2ccccc2cc1CO 62a_200000210301_100000754719 [0,2,0,0,0,0|0,1,1]=4 1386 B15R2.117 [13CH3]Oc1cc2ccccc2cc1C#N 34a_100009851763_200025704644 [0,2,0,0,0,0|2,0,0]=4 1387 B15R2.117 [13CH3]Oc1cc2ccccc2cc1C#N 7a_100009851763_200025704644 [0,2,0,0,0,0|2,0,0]=4 1388 B15R2.117 [13CH3]Sc1nc2ccccc2cc1CO 62a_200025704644_100000754719 [0,2,0,0,0,0|0,1,1]=4 1389 B15R2.274 CSc1c(c2ccccc2oc1=O)O 62a_200000210301_100009994742 [0,2,0,0,0,0|1,1,0]=4 1390 B15R2.274 N#Cc1c(c2ccccc2[nH]c1=O)O 271570a_203496583355_100000040898 [0,2,0,0,0,0|1,0,0]=3 1391 B15R2.274 O=Cc1c(c2ccccc2oc1=O)O 271570a_203496583355_100000046281 [0,2,0,0,0,0|1,0,1]=4 1392 B15R2.274 [13CH3]Sc1c(c2ccccc2oc1=O)O 62a_200025704644_100009994742 [0,2,0,0,0,0|1,1,0]=4 1393 B15R2.888 C=C=Cc1cc2ccccc2cc1O 271570a_100015277604_100009817189 [0,2,0,0,0,0|2,0,0]=4 1394 B15R2.888 C=C=Cc1cc2ccccc2oc1=O 271570a_100015277604_200000187772 [0,2,0,0,0,0|2,0,0]=4 1395 B15R2.888 C=C=Cc1nc2ccccc2cc1O 271570a_100015277604_200000100762 [0,2,0,0,0,0|1,0,1]=4 1396 B15R2.888 CC=Cc1cc2ccccc2cc1O 271570a_100016259895_100009817189 [0,2,0,0,0,0|2,0,0]=4 1397 B15R2.888 CC=Cc1cc2ccccc2oc1=O 271570a_100016259895_200000187772 [0,2,0,0,0,0|2,0,0]=4 1398 B15R2.888 CC=Cc1nc2ccccc2cc1O 271570a_100016259895_200000100762 [0,2,0,0,0,0|1,0,1]=4 1399 B15R2.888 CCOc1cc2ccccc2cc1Br 34a_100009817189_100000210202 [0,2,0,0,0,0|2,0,0]=4 1400 B15R2.888 CCOc1cc2ccccc2cc1Br 7a_100009817189_100000210202 [0,2,0,0,0,0|2,0,0]=4 1401 B15R2.888 CCOc1cc2ccccc2cc1C 34a_100000091601_100000210202 [0,2,0,0,0,0|2,0,0]=4 1402 B15R2.888 CCOc1cc2ccccc2cc1C 7a_100000091601_100000210202 [0,2,0,0,0,0|2,0,0]=4 1403 B15R2.888 CCOc1cc2ccccc2cc1N 34a_106744474703_100000210202 [0,2,0,0,0,0|2,0,0]=4 1404 B15R2.888 CCOc1cc2ccccc2cc1N 7a_106744474703_100000210202 [0,2,0,0,0,0|2,0,0]=4 1405 B15R2.888 CCOc1cc2ccccc2nc1C 34a_200000079175_100000210202 [0,2,0,0,0,0|1,0,1]=4 1406 B15R2.888 CCOc1cc2ccccc2nc1C 7a_200000079175_100000210202 [0,2,0,0,0,0|1,0,1]=4 1407 B15R2.888 CCOc1cc2ccccc2nc1Cl 34a_200000100762_100000210202 [0,2,0,0,0,0|1,0,1]=4 1408 B15R2.888 CCOc1cc2ccccc2nc1Cl 7a_200000100762_100000210202 [0,2,0,0,0,0|1,0,1]=4 1409 B15R2.888 CCOc1cc2ccccc2oc1=O 7a_100000061252_100000210202 [0,2,0,0,0,0|1,0,0]=3 1410 B15R2.888 CCSc1cc2ccccc2cc1O 62a_100000210202_100009817189 [0,2,0,0,0,0|1,1,0]=4 1411 B15R2.888 CCSc1cc2ccccc2oc1=O 62a_100000210202_200000187772 [0,2,0,0,0,0|1,1,0]=4 1412 B15R2.888 CCSc1nc2ccccc2cc1O 62a_100000210202_200000100762 [0,2,0,0,0,0|0,1,1]=4 1413 B15R2.888 CNCc1nc2ccccc2[nH]c1=O 7a_106832991635_100000736137 [0,2,0,0,0,0|2,0,0]=4 1414 B15R2.888 COCc1cc2ccccc2nc1Cl 34a_100000754719_200000210301 [0,2,0,0,0,0|1,0,1]=4 1415 B15R2.888 COCc1cc2ccccc2nc1Cl 34a_100138415774_100000189640 [0,2,0,0,0,0|1,0,1]=4 1416 B15R2.888 COCc1cc2ccccc2nc1Cl 7a_100000754719_200000210301 [0,2,0,0,0,0|1,0,1]=4 1417 B15R2.888 CSCc1nc2ccccc2[nH]c1=O 62a_100000736137_200000210301 [0,2,0,0,0,0|1,1,0]=4 1418 B15R2.888 Cc1cc2ccccc2cc1OCF 34a_100000091601_100015361967 [0,2,0,0,0,0|2,0,0]=4 1419 B15R2.888 Cc1cc2ccccc2cc1OCF 7a_100000091601_100015361967 [0,2,0,0,0,0|2,0,0]=4 1420 B15R2.888 Cc1nc2ccccc2cc1OCF 34a_200000079175_100015361967 [0,2,0,0,0,0|1,0,1]=4 1421 B15R2.888 Cc1nc2ccccc2cc1OCF 7a_200000079175_100015361967 [0,2,0,0,0,0|1,0,1]=4 1422 B15R2.888 FCOc1cc2ccccc2cc1Br 34a_100009817189_100015361967 [0,2,0,0,0,0|2,0,0]=4 1423 B15R2.888 FCOc1cc2ccccc2cc1Br 7a_100009817189_100015361967 [0,2,0,0,0,0|2,0,0]=4 1424 B15R2.888 FCOc1cc2ccccc2nc1Cl 34a_200000100762_100015361967 [0,2,0,0,0,0|1,0,1]=4 1425 B15R2.888 FCOc1cc2ccccc2nc1Cl 7a_200000100762_100015361967 [0,2,0,0,0,0|1,0,1]=4 1426 B15R2.888 Nc1cc2ccccc2cc1OCF 34a_106744474703_100015361967 [0,2,0,0,0,0|2,0,0]=4 1427 B15R2.888 Nc1cc2ccccc2cc1OCF 7a_106744474703_100015361967 [0,2,0,0,0,0|2,0,0]=4 1428 B15R2.888 O=c1oc2ccccc2cc1OCF 7a_100000061252_100015361967 [0,2,0,0,0,0|1,0,0]=3 1429 B15R2.888 O=c1oc2ccccc2cc1SCF 62a_100015361967_200000187772 [0,2,0,0,0,0|1,1,0]=4 1430 B15R2.888 Oc1cc2ccccc2cc1SCF 62a_100015361967_100009817189 [0,2,0,0,0,0|1,1,0]=4 1431 B15R2.888 Oc1cc2ccccc2nc1SCF 62a_100015361967_200000100762 [0,2,0,0,0,0|0,1,1]=4 1432 B15R2.888 [13CH3]OCc1cc2ccccc2nc1Cl 34a_100000754719_200025704644 [0,2,0,0,0,0|1,0,1]=4 1433 B15R2.888 [13CH3]OCc1cc2ccccc2nc1Cl 7a_100000754719_200025704644 [0,2,0,0,0,0|1,0,1]=4 1434 B15R2.888 [13CH3]SCc1nc2ccccc2[nH]c1=O 62a_100000736137_200025704644 [0,2,0,0,0,0|1,1,0]=4 1435 B15R2.984 C=C(C)c1cc2ccccc2cc1O 271570a_100000694244_100009817189 [0,2,0,0,0,0|2,0,0]=4 1436 B15R2.984 C=C(C)c1cc2ccccc2oc1=O 271570a_100000694244_200000187772 [0,2,0,0,0,0|2,0,0]=4 1437 B15R2.984 C=C(C)c1nc2ccccc2cc1O 271570a_100000694244_200000100762 [0,2,0,0,0,0|1,0,1]=4 1438 B15R2.984 CC(=O)c1cc2ccccc2cc1Cl 1458a_100010003416_200000210301 [0,2,0,0,0,0|2,0,0]=4 1439 B15R2.984 CC(=O)c1cc2ccccc2cc1O 1458a_100000212107_200000210301 [0,2,0,0,0,0|1,0,0]=3 1440 B15R2.984 OB(O)c1cc2ccccc2cc1O 271570a_203496583355_200010152629 [0,2,0,0,0,0|1,0,1]=4 1441 B15R2.984 [13CH3]C(=O)c1cc2ccccc2cc1Cl 1458a_100010003416_200025704644 [0,2,0,0,0,0|2,0,0]=4 1442 B15R2.984 [13CH3]C(=O)c1cc2ccccc2cc1O 1458a_100000212107_200025704644 [0,2,0,0,0,0|1,0,0]=3 1443 B15R2.1754 C=Cc1cc2ccc(cc2cc1O)O 271570a_100011290941_100010179872 [0,2,0,0,0,0|2,0,0]=4 1444 B15R2.1754 CSc1cc2ccc(cc2cc1O)O 62a_200000210301_100010179872 [0,2,0,0,0,0|1,1,0]=4 1445 B15R2.1754 Cc1ccc2cc(c(nc2c1)O)C=O 271570a_203496583355_100000009997 [0,2,0,0,0,0|2,0,0]=4 1446 B15R2.1754 Cc1ccc2cc(c(nc2c1)O)CO 271570a_203496583355_100000246279 [0,2,0,0,0,0|0,0,2]=4 1447 B15R2.1754 O=Cc1cc2ccc(cc2nc1O)F 271570a_203496583355_100000069975 [0,2,0,0,0,0|2,0,0]=4 1448 B15R2.1754 [13CH3]Sc1cc2ccc(cc2cc1O)O 62a_200025704644_100010179872 [0,2,0,0,0,0|1,1,0]=4 1449 B15R2.1824 Cc1ccc2nc(c(cc2c1)C=O)O 271570a_203496583355_100000009852 [0,2,0,0,0,0|2,0,0]=4 1450 B15R2.1824 Cc1ccc2nc(c(cc2c1)CO)O 271570a_203496583355_100000012208 [0,2,0,0,0,0|0,0,2]=4 1451 B15R2.1824 O=Cc1cc2cc(ccc2nc1O)F 271570a_203496583355_100000010802 [0,2,0,0,0,0|2,0,0]=4 1452 B15R2.2039 Cc1cccc2c1nc(c(c2)C=O)O 271570a_203496583355_100000009883 [0,2,0,0,0,0|2,0,0]=4 1453 B15R2.2039 Cc1cccc2c1nc(c(c2)CO)O 271570a_203496583355_200000025415 [0,2,0,0,0,0|0,0,2]=4 1454 B15R2.9032 Cc1c(c(=O)n(c2c1cccc2)C)O 271570a_203496583355_100010739255 [0,2,0,0,0,0|0,0,0]=2 1455 B15R2.63893 Cc1c(c(=O)oc2c1ccc(c2)O)O 271570a_203496583355_200009996780 [0,2,0,0,0,0|1,0,0]=3 1456 B15R2.63893 Cn1c(=O)c(=O)[nH]c2c1ccc(c2)O 271570a_203496583355_100009998729 [0,2,0,0,0,0|1,0,1]=4 1457 B15R2.21336 C=Cc1ccc2[nH]c(=O)c(=O)[nH]c2c1 271570a_100011290941_100011221361 [0,2,0,0,0,0|1,0,1]=4 1458 B15R2.21336 CSc1ncc2cc(c(=O)[nH]c2n1)O 271570a_203496583355_100010296458 [0,2,0,0,0,0|2,0,0]=4 1459 B13R2.435 C=C(C)c1cc2ccccc2[nH]1 271570a_100000694244_100010232065 [0,0,1,1,0,0|2,0,0]=4 1460 B13R2.435 C=C(C)c1cc2ccccc2o1 271570a_100000694244_100010159458 [0,0,1,1,0,0|2,0,0]=4 1461 B13R2.435 C=C(C)c1nc2ccccc2[nH]1 271570a_100000694244_100009814255 [0,0,1,1,0,0|2,0,0]=4 1462 B13R2.435 CC(=O)C1=Cc2ccccc2C1 1458a_100009862756_200000210301 [0,0,1,1,0,0|2,0,0]=4 1463 B13R2.435 [13CH3]C(=O)C1=Cc2ccccc2C1 1458a_100009862756_200025704644 [0,0,1,1,0,0|2,0,0]=4 1464 B13R2.444 O=C(Nc1ccccc1)C2CO2 11a_100000106764_100000701028 [0,0,1,1,0,0|0,0,2]=4 1465 B13R2.444 O=C(Nc1ccccc1)C2CO2 1626a_100000106764_100000701028 [0,0,1,1,0,0|0,0,2]=4 1466 B13R2.444 O=C(Nc1ccccc1)C2CO2 22a_100000106764_100000701028 [0,0,1,1,0,0|0,0,2]=4 1467 B13R2.444 O=C(Nc1ccccc1)C2CO2 527a_100000106764_100000701028 [0,0,1,1,0,0|0,0,2]=4 1468 B13R2.292 CC=Cc1cccc2c1[nH]cc2 271570a_100016259895_100009813418 [0,0,1,1,0,0|2,0,0]=4 1469 B13R2.292 CC=Cc1cccc2c1cco2 271570a_100016259895_100000756496 [0,0,1,1,0,0|2,0,0]=4 1470 B13R2.54 O=Cc1cc2c(cccc2s1)O 271570a_203496583355_100010109917 [0,0,1,1,0,0|1,1,0]=4 1471 B11R1.36 C=C(C(=O)C)c1ccccc1 1458a_100000065200_200000210301 [0,0,1,0,1,0|2,0,0]=4 1472 B11R1.36 C=C(C(=O)[13CH3])c1ccccc1 1458a_100000065200_200025704644 [0,0,1,0,1,0|2,0,0]=4 1473 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [0,0,1,0,1,0|1,0,1]=4 1474 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [0,0,1,0,1,0|1,0,1]=4 1475 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [1,0,0,0,1,0|1,0,0]=3 1476 B11R2.1 Oc1c[nH]c2c1ccnc2 271570a_203496583355_100010232032 [1,0,0,0,1,0|1,0,0]=3 1477 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [1,0,0,0,1,0|1,0,0]=3 1478 B11R2.1 Oc1c[nH]c2c1cncn2 271570a_203496583355_100009817560 [1,0,0,0,1,0|2,0,0]=4 1479 B11R2.1 Oc1c[nH]c2c1nccc2 271570a_203496583355_100009817151 [1,0,0,0,1,0|1,0,0]=3 1480 B11R2.1 Oc1cnc2n1cccc2 271570a_203496583355_100011219245 [1,0,0,0,1,0|1,0,1]=4 1481 B11R2.1 Oc1cnn2c1cccc2 271570a_203496583355_100009817726 [1,0,0,0,1,0|1,0,1]=4 1482 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,0,1,0|1,0,0]=3 1483 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [1,0,0,0,1,0|2,0,0]=4 1484 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,0,1,0|1,0,0]=3 1485 B11R2.1 Oc1csc2c1cccn2 271570a_203496583355_100009830249 [1,0,0,0,1,0|2,0,0]=4 1486 B11R2.1 Oc1csc2c1ccnc2 271570a_203496583355_100009817111 [1,0,0,0,1,0|2,0,0]=4 1487 B11R2.1 Oc1csc2c1cncc2 271570a_203496583355_100010247091 [1,0,0,0,1,0|2,0,0]=4 1488 B11R2.1 Oc1csc2c1nccc2 271570a_203496583355_100010247092 [1,0,0,0,1,0|2,0,0]=4 1489 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [1,0,0,0,1,0|1,0,0]=3 1490 B11R2.1 Oc1n[nH]c2c1cccn2 271570a_203496583355_100009888962 [1,0,0,0,1,0|2,0,0]=4 1491 B11R2.1 Oc1n[nH]c2c1ccnc2 271570a_203496583355_100010244369 [1,0,0,0,1,0|2,0,0]=4 1492 B11R2.1 Oc1n[nH]c2c1cncc2 271570a_203496583355_100010724670 [1,0,0,0,1,0|2,0,0]=4 1493 B11R2.1 Oc1n[nH]c2c1nccc2 271570a_203496583355_100009817118 [1,0,0,0,1,0|2,0,0]=4 1494 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,0,1,0|0,0,0]=2 1495 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,0,1,0|1,0,0]=3 1496 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,0,1,0|1,0,0]=3 1497 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [1,0,0,0,1,0|1,0,0]=3 1498 B11R2.10 Oc1cn2ccccc2n1 271570a_203496583355_100009819586 [1,0,0,0,1,0|1,0,1]=4 1499 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [1,0,0,0,1,0|1,0,0]=3 1500 B11R2.10 Oc1nc2ccccc2s1 271570a_203496583355_100000751744 [1,0,0,0,1,0|1,0,1]=4 1501 B11R2.36 Oc1ccc2[nH]ccc2c1 271570a_203496583355_100000211741 [1,0,0,0,1,0|2,0,0]=4 1502 B11R2.36 Oc1ccc2c(c1)C=CC2 271570a_203496583355_100009814306 [1,0,0,0,1,0|1,0,1]=4 1503 B11R2.36 Oc1ccc2c(c1)CC=C2 271570a_203496583355_200009818231 [1,0,0,0,1,0|1,0,1]=4 1504 B11R2.36 Oc1ccc2cc[nH]c2c1 271570a_203496583355_100000743809 [1,0,0,0,1,0|2,0,0]=4 1505 B11R2.36 Oc1ccc2ccoc2c1 271570a_203496583355_100000759542 [1,0,0,0,1,0|2,0,0]=4 1506 B11R2.36 Oc1ccc2ccsc2c1 271570a_203496583355_100009888917 [1,0,0,0,1,0|2,0,0]=4 1507 B11R2.36 Oc1ccc2cscc2c1 271570a_203496583355_200010760811 [1,0,0,0,1,0|2,0,0]=4 1508 B11R2.36 Oc1ccc2occc2c1 271570a_203496583355_100012343831 [1,0,0,0,1,0|2,0,0]=4 1509 B11R2.36 Oc1ccc2sccc2c1 271570a_203496583355_100009814439 [1,0,0,0,1,0|2,0,0]=4 1510 B11R2.36 Oc1cnc2[nH]ccc2c1 271570a_203496583355_100000760471 [1,0,0,0,1,0|1,0,1]=4 1511 B11R2.36 Oc1cnc2cc[nH]c2c1 271570a_203496583355_100009818992 [1,0,0,0,1,0|1,0,1]=4 1512 B11R2.36 Oc1cnc2sccc2c1 271570a_203496583355_100010135160 [1,0,0,0,1,0|1,0,1]=4 1513 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 11a_100000106764_100000211388 [0,0,1,0,0,1|1,0,1]=4 1514 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 1626a_100000106764_100000211388 [0,0,1,0,0,1|1,0,1]=4 1515 B13R1.348 CC(=CC(=O)Nc1ccccc1)C 22a_100000106764_100000211388 [0,0,1,0,0,1|1,0,1]=4 1516 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 11a_100000106764_200042562850 [0,0,1,0,0,1|1,0,1]=4 1517 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 1626a_100000106764_200042562850 [0,0,1,0,0,1|1,0,1]=4 1518 B13R1.348 CC(=CC(=O)Nc1ccccc1)Cl 22a_100000106764_200042562850 [0,0,1,0,0,1|1,0,1]=4 1519 B13R1.348 CC(=CC(=O)Nc1ccccc1)I 11a_100000106764_100025716642 [0,0,1,0,0,1|1,0,1]=4 1520 B13R1.348 CC(=CC(=O)Nc1ccccc1)I 1626a_100000106764_100025716642 [0,0,1,0,0,1|1,0,1]=4 1521 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 1458a_100000070787_100000182850 [0,0,1,0,0,1|0,0,2]=4 1522 B13R1.348 C[C@@H](O)CC(=O)Nc1ccccc1 22a_100000106764_100011933948 [0,0,1,0,0,1|0,0,2]=4 1523 B13R1.348 NC(=O)CC(=O)Cc1ccccc1 1458a_100134613110_100015291786 [0,0,1,0,0,1|0,0,2]=4 1524 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 22a_100000106764_100134613110 [0,0,1,0,0,1|1,0,1]=4 1525 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 527a_100000106764_100134613110 [0,0,1,0,0,1|1,0,1]=4 1526 B13R1.348 O=C(C=C(Cl)Cl)Nc1ccccc1 1626a_100000106764_100000137448 [0,0,1,0,0,1|2,0,0]=4 1527 B13R1.351 C=C(Br)C(=O)NCc1ccccc1 11a_100015324214_100009813364 [0,0,1,0,0,1|1,0,0]=3 1528 B13R1.351 C=C(Br)C(=O)NCc1ccccc1 1626a_100015324214_100009813364 [0,0,1,0,0,1|1,0,0]=3 1529 B13R1.351 C=C(Br)C(=O)NCc1ccccn1 11a_100000210449_100009813364 [0,0,1,0,0,1|2,0,0]=4 1530 B13R1.351 C=C(Br)C(=O)NCc1ccccn1 1626a_100000210449_100009813364 [0,0,1,0,0,1|2,0,0]=4 1531 B13R1.351 C=C(Br)C(=O)NCc1cccnc1 11a_100000210453_100009813364 [0,0,1,0,0,1|2,0,0]=4 1532 B13R1.351 C=C(Br)C(=O)NCc1ccncc1 11a_100000210450_100009813364 [0,0,1,0,0,1|2,0,0]=4 1533 B13R1.351 C=C(Br)C(=O)NCc1ccncc1 1626a_100000210450_100009813364 [0,0,1,0,0,1|2,0,0]=4 1534 B13R1.351 C=C(C)C(=NNc1ccccc1)C 4a_100015195140_100011216138 [0,0,1,0,0,1|2,0,0]=4 1535 B13R1.351 C=C(C)C(=O)CCc1ccccc1 1458a_100000185857_100000765856 [0,0,1,0,0,1|2,0,0]=4 1536 B13R1.351 C=C(C)C(=O)NCc1ccccc1 11a_100015324214_100000185857 [0,0,1,0,0,1|1,0,0]=3 1537 B13R1.351 C=C(C)C(=O)NCc1ccccc1 1626a_100015324214_100000185857 [0,0,1,0,0,1|1,0,0]=3 1538 B13R1.351 C=C(C)C(=O)NCc1ccccn1 11a_100000210449_100000185857 [0,0,1,0,0,1|2,0,0]=4 1539 B13R1.351 C=C(C)C(=O)NCc1ccccn1 1626a_100000210449_100000185857 [0,0,1,0,0,1|2,0,0]=4 1540 B13R1.351 C=C(C)C(=O)NCc1cccnc1 11a_100000210453_100000185857 [0,0,1,0,0,1|2,0,0]=4 1541 B13R1.351 C=C(C)C(=O)NCc1ccncc1 11a_100000210450_100000185857 [0,0,1,0,0,1|2,0,0]=4 1542 B13R1.351 C=C(C)C(=O)NCc1ccncc1 1626a_100000210450_100000185857 [0,0,1,0,0,1|2,0,0]=4 1543 B13R1.351 C=C(C)C(=O)NNc1ccccc1 22a_100015195140_100000185857 [0,0,1,0,0,1|1,0,0]=3 1544 B13R1.351 C=C(C)C(=O)NNc1ccccn1 22a_100000183288_100000185857 [0,0,1,0,0,1|2,0,0]=4 1545 B13R1.351 C=C(C)C(=O)NNc1cccnc1 22a_100000728903_100000185857 [0,0,1,0,0,1|2,0,0]=4 1546 B13R1.351 C=C(C)C(=O)NNc1ccncc1 22a_100000698918_100000185857 [0,0,1,0,0,1|2,0,0]=4 1547 B13R1.351 C=C(Cl)C(=O)NCc1ccccc1 11a_100015324214_100000039160 [0,0,1,0,0,1|1,0,0]=3 1548 B13R1.351 C=C(Cl)C(=O)NCc1ccccc1 1626a_100015324214_100000039160 [0,0,1,0,0,1|1,0,0]=3 1549 B13R1.351 C=C(Cl)C(=O)NCc1ccccn1 11a_100000210449_100000039160 [0,0,1,0,0,1|2,0,0]=4 1550 B13R1.351 C=C(Cl)C(=O)NCc1ccccn1 1626a_100000210449_100000039160 [0,0,1,0,0,1|2,0,0]=4 1551 B13R1.351 C=C(Cl)C(=O)NCc1cccnc1 11a_100000210453_100000039160 [0,0,1,0,0,1|2,0,0]=4 1552 B13R1.351 C=C(Cl)C(=O)NCc1ccncc1 11a_100000210450_100000039160 [0,0,1,0,0,1|2,0,0]=4 1553 B13R1.351 C=C(Cl)C(=O)NCc1ccncc1 1626a_100000210450_100000039160 [0,0,1,0,0,1|2,0,0]=4 1554 B13R1.351 C=C(Cl)C(=O)NNc1ccccc1 22a_100015195140_100000039160 [0,0,1,0,0,1|1,0,0]=3 1555 B13R1.351 C=C(Cl)C(=O)NNc1ccccn1 22a_100000183288_100000039160 [0,0,1,0,0,1|2,0,0]=4 1556 B13R1.351 C=C(Cl)C(=O)NNc1cccnc1 22a_100000728903_100000039160 [0,0,1,0,0,1|2,0,0]=4 1557 B13R1.351 C=C(Cl)C(=O)NNc1ccncc1 22a_100000698918_100000039160 [0,0,1,0,0,1|2,0,0]=4 1558 B13R1.351 C=C(F)C(=O)NCc1ccccc1 11a_100015324214_100000036797 [0,0,1,0,0,1|1,0,0]=3 1559 B13R1.351 C=C(F)C(=O)NCc1ccccc1 1626a_100015324214_100000036797 [0,0,1,0,0,1|1,0,0]=3 1560 B13R1.351 C=C(F)C(=O)NCc1ccccn1 11a_100000210449_100000036797 [0,0,1,0,0,1|2,0,0]=4 1561 B13R1.351 C=C(F)C(=O)NCc1ccccn1 1626a_100000210449_100000036797 [0,0,1,0,0,1|2,0,0]=4 1562 B13R1.351 C=C(F)C(=O)NCc1cccnc1 11a_100000210453_100000036797 [0,0,1,0,0,1|2,0,0]=4 1563 B13R1.351 C=C(F)C(=O)NCc1ccncc1 11a_100000210450_100000036797 [0,0,1,0,0,1|2,0,0]=4 1564 B13R1.351 C=C(F)C(=O)NCc1ccncc1 1626a_100000210450_100000036797 [0,0,1,0,0,1|2,0,0]=4 1565 B13R1.351 C=C(F)C(=O)NNc1ccccc1 22a_100015195140_100000036797 [0,0,1,0,0,1|1,0,0]=3 1566 B13R1.351 C=C(F)C(=O)NNc1ccccn1 22a_100000183288_100000036797 [0,0,1,0,0,1|2,0,0]=4 1567 B13R1.351 C=C(F)C(=O)NNc1cccnc1 22a_100000728903_100000036797 [0,0,1,0,0,1|2,0,0]=4 1568 B13R1.351 C=C(F)C(=O)NNc1ccncc1 22a_100000698918_100000036797 [0,0,1,0,0,1|2,0,0]=4 1569 B13R1.351 CC(=O)C(=O)CNc1ccccc1 34a_100000106764_100011261029 [0,0,1,0,0,1|0,0,2]=4 1570 B13R1.351 C[C@@H](O)C(=O)NCc1ccccc1 240690a_100015324214_100000717761 [0,0,1,0,0,1|0,0,2]=4 1571 B13R1.351 C[C@@H](O)C(=O)NNc1ccccc1 22a_100015195140_100000717761 [0,0,1,0,0,1|0,0,2]=4 1572 B13R1.351 C[C@H](O)C(=O)NCc1ccccc1 1626a_100015324214_217856618621 [0,0,1,0,0,1|0,0,2]=4 1573 B13R1.351 C[C@H](O)C(=O)NCc1ccccc1 240690a_100015324214_217856618621 [0,0,1,0,0,1|0,0,2]=4 1574 B13R1.351 C[C@H](O)C(=O)NNc1ccccc1 22a_100015195140_217856618621 [0,0,1,0,0,1|0,0,2]=4 1575 B13R1.351 NC(=O)C(=O)NCc1ccccc1 240690a_100015324214_100011215815 [0,0,1,0,0,1|0,0,2]=4 1576 B13R1.351 NC(=O)C(=O)NNc1ccccc1 22a_100015195140_100011215815 [0,0,1,0,0,1|1,0,1]=4 1577 B13R1.351 O=C(NCc1ccccc1)C(O)O 240690a_100015324214_100000233687 [0,0,1,0,0,1|1,0,1]=4 1578 B13R1.351 O=C(NNc1ccccc1)C(O)O 22a_100015195140_100000233687 [0,0,1,0,0,1|1,0,1]=4 1579 B13R1.528 C=CC(=O)NCc1ccccc1Br 1626a_100000689332_100000185746 [0,0,1,0,0,1|2,0,0]=4 1580 B13R1.528 C=CC(=O)NCc1ccccc1Br 240690a_100000689332_200121576911 [0,0,1,0,0,1|2,0,0]=4 1581 B13R1.528 C=CC(=O)NCc1ccccc1C 1626a_100000174972_100000185746 [0,0,1,0,0,1|1,0,1]=4 1582 B13R1.528 C=CC(=O)NCc1ccccc1C 240690a_100000174972_200121576911 [0,0,1,0,0,1|1,0,1]=4 1583 B13R1.528 C=CC(=O)NCc1ccccc1Cl 1626a_100000174879_100000185746 [0,0,1,0,0,1|2,0,0]=4 1584 B13R1.528 C=CC(=O)NCc1ccccc1Cl 240690a_100000174879_200121576911 [0,0,1,0,0,1|2,0,0]=4 1585 B13R1.528 C=CC(=O)NCc1ccccc1F 1626a_100000174869_100000185746 [0,0,1,0,0,1|2,0,0]=4 1586 B13R1.528 C=CC(=O)NCc1ccccc1F 240690a_100000174869_200121576911 [0,0,1,0,0,1|2,0,0]=4 1587 B13R1.528 C=CC(=O)NCc1ccccc1I 1626a_100015347259_100000185746 [0,0,1,0,0,1|2,0,0]=4 1588 B13R1.528 C=CC(=O)NCc1ccccc1I 240690a_100015347259_200121576911 [0,0,1,0,0,1|2,0,0]=4 1589 B13R1.528 C=CC(=O)NCc1ccccc1O 240690a_100000185550_200121576911 [0,0,1,0,0,1|2,0,0]=4 1590 B13R1.528 C=CC(=O)NNc1ccccc1Br 22a_100000241748_100000185746 [0,0,1,0,0,1|2,0,0]=4 1591 B13R1.528 C=CC(=O)NNc1ccccc1C 22a_100000184220_100000185746 [0,0,1,0,0,1|1,0,1]=4 1592 B13R1.528 C=CC(=O)NNc1ccccc1Cl 22a_100000683529_100000185746 [0,0,1,0,0,1|2,0,0]=4 1593 B13R1.528 C=CC(=O)NNc1ccccc1F 22a_100000239246_100000185746 [0,0,1,0,0,1|2,0,0]=4 1594 B13R1.528 C=CC(=O)NNc1ccccc1I 22a_100011218156_100000185746 [0,0,1,0,0,1|2,0,0]=4 1595 B13R1.528 Cc1ccccc1CNC(=O)CO 240690a_100000174972_100000210174 [0,0,1,0,0,1|0,0,2]=4 1596 B13R1.528 Cc1ccccc1CNC(=O)CO 527a_100000174972_100000210174 [0,0,1,0,0,1|0,0,2]=4 1597 B13R1.528 Cc1ccccc1NNC(=O)CO 22a_100000184220_100000210174 [0,0,1,0,0,1|0,0,2]=4 1598 B13R1.528 O=C(CO)NCc1ccccc1Br 240690a_100000689332_100000210174 [0,0,1,0,0,1|1,0,1]=4 1599 B13R1.528 O=C(CO)NCc1ccccc1Br 527a_100000689332_100000210174 [0,0,1,0,0,1|1,0,1]=4 1600 B13R1.528 O=C(CO)NCc1ccccc1Cl 240690a_100000174879_100000210174 [0,0,1,0,0,1|1,0,1]=4 1601 B13R1.528 O=C(CO)NCc1ccccc1Cl 527a_100000174879_100000210174 [0,0,1,0,0,1|1,0,1]=4 1602 B13R1.528 O=C(CO)NCc1ccccc1F 240690a_100000174869_100000210174 [0,0,1,0,0,1|1,0,1]=4 1603 B13R1.528 O=C(CO)NCc1ccccc1F 527a_100000174869_100000210174 [0,0,1,0,0,1|1,0,1]=4 1604 B13R1.528 O=C(CO)NCc1ccccc1I 240690a_100015347259_100000210174 [0,0,1,0,0,1|1,0,1]=4 1605 B13R1.528 O=C(CO)NCc1ccccc1I 527a_100015347259_100000210174 [0,0,1,0,0,1|1,0,1]=4 1606 B13R1.528 O=C(CO)NCc1ccccc1O 240690a_100000185550_100000210174 [0,0,1,0,0,1|1,0,1]=4 1607 B13R1.528 O=C(CO)NCc1ccccc1O 527a_100000185550_100000210174 [0,0,1,0,0,1|1,0,1]=4 1608 B13R1.528 O=C(CO)NNc1ccccc1Br 22a_100000241748_100000210174 [0,0,1,0,0,1|1,0,1]=4 1609 B13R1.528 O=C(CO)NNc1ccccc1Cl 22a_100000683529_100000210174 [0,0,1,0,0,1|1,0,1]=4 1610 B13R1.528 O=C(CO)NNc1ccccc1F 22a_100000239246_100000210174 [0,0,1,0,0,1|1,0,1]=4 1611 B13R1.528 O=C(CO)NNc1ccccc1I 22a_100011218156_100000210174 [0,0,1,0,0,1|1,0,1]=4