0 B13R2.369 Cc1cc2ccccc2nc1O 271570a_203496583355_100000751756 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.369 Cc1cc2cccnc2nc1O 271570a_203496583355_100009877248 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.369 Cc1cc2ncccc2cc1O 271570a_203496583355_100010137429 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.369 Cc1cc2nccnc2cc1O 271570a_203496583355_100010080479 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.369 Cc1nc2ccccc2nc1O 271570a_203496583355_100000185947 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.369 Cc1nc2nccnc2cc1O 271570a_203496583355_100010212747 [0,0,0,0,0,0|2,0,1]=3 6 B13R2.369 Nc1cc2ccccc2cc1O 271570a_203496583355_100009991566 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.369 Nc1nc2ccccc2cc1O 271570a_203496583355_100010135404 [0,0,0,0,0,0|2,0,1]=3 8 B13R2.369 Nc1nc2ccccc2nc1O 271570a_203496583355_100000009970 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.369 Oc1cc2ccccc2cc1Br 271570a_203496583355_200010169544 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.369 Oc1cc2ccccc2cc1Cl 271570a_203496583355_100010152806 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.369 Oc1cc2ccccc2cc1O 271570a_203496583355_100009817189 [0,0,0,0,0,0|2,0,1]=3 13 B13R2.369 Oc1cc2ccccc2nc1Cl 271570a_203496583355_100010220712 [0,0,0,0,0,0|2,0,1]=3 14 B13R2.369 Oc1cc2ccccc2nc1F 271570a_203496583355_100011158909 [0,0,0,0,0,0|2,0,1]=3 15 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200000100762 [0,0,0,0,0,0|1,0,2]=3 16 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200009820883 [0,0,0,0,0,0|1,0,2]=3 17 B13R2.369 Oc1cc2cccnc2cc1F 271570a_203496583355_100009854028 [0,0,0,0,0,0|2,0,1]=3 18 B13R2.369 Oc1cc2cccnc2cc1O 271570a_203496583355_200010153759 [0,0,0,0,0,0|1,0,1]=2 19 B13R2.369 Oc1cc2ccncc2cc1F 271570a_203496583355_100011105921 [0,0,0,0,0,0|4,0,0]=4 20 B13R2.369 Oc1cc2cnccc2cc1F 271570a_203496583355_100010244713 [0,0,0,0,0,0|4,0,0]=4 21 B13R2.369 Oc1cc2nccnc2cc1F 271570a_203496583355_100010080477 [0,0,0,0,0,0|3,0,0]=3 22 B13R2.369 Oc1nc2ccccc2cc1Br 271570a_203496583355_100010072790 [0,0,0,0,0,0|2,0,2]=4 23 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.24 Oc1cc2nccnc2cn1 271570a_203496583355_100010370699 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [1,0,0,0,0,0|2,0,0]=3 26 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [1,0,0,0,0,0|1,0,2]=4 27 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [1,0,0,0,0,0|1,0,0]=2 28 B12R2.24 Oc1ccc2cccnc2n1 271570a_203496583355_100009888989 [1,0,0,0,0,0|2,0,0]=3 29 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [1,0,0,0,0,0|3,0,0]=4 31 B12R2.24 Oc1ccc2cncnc2c1 271570a_203496583355_100010185614 [1,0,0,0,0,0|2,0,0]=3 32 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [1,0,0,0,0,0|1,0,1]=3 33 B12R2.24 Oc1ccc2ncccc2n1 271570a_203496583355_100000073381 [1,0,0,0,0,0|0,0,2]=3 34 B12R2.24 Oc1ccc2nccnc2c1 271570a_203496583355_100011219451 [1,0,0,0,0,0|2,0,0]=3 35 B12R2.24 Oc1ccc2nccnc2n1 271570a_203496583355_100012351543 [1,0,0,0,0,0|1,0,2]=4 36 B12R2.24 Oc1ccc2ncncc2c1 271570a_203496583355_100009989443 [1,0,0,0,0,0|2,0,1]=4 37 B12R2.24 Oc1ccc2nnccc2c1 271570a_203496583355_100010209549 [1,0,0,0,0,0|2,0,1]=4 38 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [1,0,0,0,0,0|1,0,1]=3 39 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [1,0,0,0,0,0|2,0,1]=4 40 B12R2.24 Oc1cnc2cccnc2c1 271570a_203496583355_100010246316 [1,0,0,0,0,0|0,0,1]=2 41 B12R2.24 Oc1cnc2ncccc2n1 271570a_203496583355_100000084304 [1,0,0,0,0,0|1,0,2]=4 42 B12R2.24 Oc1cnc2nccnc2c1 271570a_203496583355_100000753224 [1,0,0,0,0,0|1,0,1]=3 43 B14R2.1128 C=Cc1cc2ccccc2cc1O 271570a_100011290941_100009817189 [0,1,0,0,0,0|3,0,0]=4 44 B14R2.1128 C=Cc1cc2ccccc2oc1=O 271570a_100011290941_200000187772 [0,1,0,0,0,0|3,0,0]=4 45 B14R2.1128 C=Cc1cc2cccnc2cc1C 271570a_100011290941_100010137429 [0,1,0,0,0,0|3,0,0]=4 46 B14R2.1128 C=Cc1cc2cccnc2cc1F 271570a_100011290941_100009854028 [0,1,0,0,0,0|3,0,0]=4 47 B14R2.1128 C=Cc1cc2ncccc2cc1O 271570a_100011290941_200010153759 [0,1,0,0,0,0|2,0,1]=4 48 B14R2.1128 C=Cc1nc2ccccc2cc1O 271570a_100011290941_200000100762 [0,1,0,0,0,0|2,0,1]=4 49 B14R2.1128 COc1cc2ccccc2cc1Br 34a_100009817189_200000210301 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.1128 COc1cc2ccccc2cc1Br 7a_100009817189_200000210301 [0,1,0,0,0,0|3,0,0]=4 51 B14R2.1128 COc1cc2ccccc2cc1C 34a_100000091601_200000210301 [0,1,0,0,0,0|3,0,0]=4 52 B14R2.1128 COc1cc2ccccc2cc1C 7a_100000091601_200000210301 [0,1,0,0,0,0|3,0,0]=4 53 B14R2.1128 COc1cc2ccccc2cc1N 34a_106744474703_200000210301 [0,1,0,0,0,0|3,0,0]=4 54 B14R2.1128 COc1cc2ccccc2cc1N 7a_106744474703_200000210301 [0,1,0,0,0,0|3,0,0]=4 55 B14R2.1128 COc1cc2ccccc2cc1O 271570a_203496583355_100009817100 [0,1,0,0,0,0|2,0,1]=4 56 B14R2.1128 COc1cc2ccccc2nc1C 34a_200000079175_200000210301 [0,1,0,0,0,0|2,0,1]=4 57 B14R2.1128 COc1cc2ccccc2nc1C 7a_200000079175_200000210301 [0,1,0,0,0,0|2,0,1]=4 58 B14R2.1128 COc1cc2ccccc2nc1Cl 34a_200000100762_200000210301 [0,1,0,0,0,0|2,0,1]=4 59 B14R2.1128 COc1cc2ccccc2nc1Cl 7a_200000100762_200000210301 [0,1,0,0,0,0|2,0,1]=4 60 B14R2.1128 COc1cc2ccccc2oc1=O 7a_100000061252_200000210301 [0,1,0,0,0,0|2,0,0]=3 61 B14R2.1128 COc1cc2cccnc2cc1Br 34a_200010153759_200000210301 [0,1,0,0,0,0|2,0,1]=4 62 B14R2.1128 COc1cc2cccnc2cc1Br 7a_200010153759_200000210301 [0,1,0,0,0,0|2,0,1]=4 63 B14R2.1128 COc1cc2cccnc2cc1O 271570a_203496583355_100011093944 [0,1,0,0,0,0|1,0,1]=3 64 B14R2.1128 COc1cc2ncccc2cc1O 271570a_203496583355_100020706834 [0,1,0,0,0,0|1,0,1]=3 65 B14R2.1128 COc1nc2ccccc2cc1O 271570a_203496583355_100009820890 [0,1,0,0,0,0|1,0,2]=4 66 B14R2.1128 CSc1cc2ccccc2cc1O 62a_200000210301_100009817189 [0,1,0,0,0,0|2,1,0]=4 67 B14R2.1128 CSc1cc2ccccc2oc1=O 62a_200000210301_200000187772 [0,1,0,0,0,0|2,1,0]=4 68 B14R2.1128 CSc1cc2cccnc2cc1C 62a_100010137429_200000210301 [0,1,0,0,0,0|2,1,0]=4 69 B14R2.1128 CSc1cc2cccnc2cc1C 62a_200000210301_100010137429 [0,1,0,0,0,0|2,1,0]=4 70 B14R2.1128 CSc1cc2cccnc2cc1F 62a_100009854028_200000210301 [0,1,0,0,0,0|2,1,0]=4 71 B14R2.1128 CSc1cc2cccnc2cc1F 62a_200000210301_100009854028 [0,1,0,0,0,0|2,1,0]=4 72 B14R2.1128 CSc1cc2ncccc2cc1O 62a_200000210301_200010153759 [0,1,0,0,0,0|1,1,1]=4 73 B14R2.1128 CSc1nc2ccccc2cc1O 62a_200000210301_200000100762 [0,1,0,0,0,0|1,1,1]=4 74 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 34a_100000091601_200025704644 [0,1,0,0,0,0|3,0,0]=4 75 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 7a_100000091601_200025704644 [0,1,0,0,0,0|3,0,0]=4 76 B14R2.1128 Cc1cc2ncccc2cc1S[13CH3] 62a_100010137429_200025704644 [0,1,0,0,0,0|2,1,0]=4 77 B14R2.1128 Cc1cc2ncccc2cc1S[13CH3] 62a_200025704644_100010137429 [0,1,0,0,0,0|2,1,0]=4 78 B14R2.1128 Cc1nc2ccccc2cc1O[13CH3] 34a_200000079175_200025704644 [0,1,0,0,0,0|2,0,1]=4 79 B14R2.1128 Cc1nc2ccccc2cc1O[13CH3] 7a_200000079175_200025704644 [0,1,0,0,0,0|2,0,1]=4 80 B14R2.1128 O=Cc1cc2ccccc2nc1O 271570a_203496583355_100000183649 [0,1,0,0,0,0|3,0,0]=4 81 B14R2.1128 OCc1cc2ccccc2nc1O 271570a_203496583355_100000754719 [0,1,0,0,0,0|1,0,2]=4 82 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 34a_100009817189_200025704644 [0,1,0,0,0,0|3,0,0]=4 83 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 7a_100009817189_200025704644 [0,1,0,0,0,0|3,0,0]=4 84 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 34a_106744474703_200025704644 [0,1,0,0,0,0|3,0,0]=4 85 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 7a_106744474703_200025704644 [0,1,0,0,0,0|3,0,0]=4 86 B14R2.1128 [13CH3]Oc1cc2ccccc2nc1Cl 34a_200000100762_200025704644 [0,1,0,0,0,0|2,0,1]=4 87 B14R2.1128 [13CH3]Oc1cc2ccccc2nc1Cl 7a_200000100762_200025704644 [0,1,0,0,0,0|2,0,1]=4 88 B14R2.1128 [13CH3]Oc1cc2ccccc2oc1=O 7a_100000061252_200025704644 [0,1,0,0,0,0|2,0,0]=3 89 B14R2.1128 [13CH3]Oc1cc2cccnc2cc1Br 34a_200010153759_200025704644 [0,1,0,0,0,0|2,0,1]=4 90 B14R2.1128 [13CH3]Oc1cc2cccnc2cc1Br 7a_200010153759_200025704644 [0,1,0,0,0,0|2,0,1]=4 91 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1O 62a_200025704644_100009817189 [0,1,0,0,0,0|2,1,0]=4 92 B14R2.1128 [13CH3]Sc1cc2ccccc2oc1=O 62a_200025704644_200000187772 [0,1,0,0,0,0|2,1,0]=4 93 B14R2.1128 [13CH3]Sc1cc2cccnc2cc1F 62a_100009854028_200025704644 [0,1,0,0,0,0|2,1,0]=4 94 B14R2.1128 [13CH3]Sc1cc2cccnc2cc1F 62a_200025704644_100009854028 [0,1,0,0,0,0|2,1,0]=4 95 B14R2.1128 [13CH3]Sc1cc2ncccc2cc1O 62a_200025704644_200010153759 [0,1,0,0,0,0|1,1,1]=4 96 B14R2.1128 [13CH3]Sc1nc2ccccc2cc1O 62a_200025704644_200000100762 [0,1,0,0,0,0|1,1,1]=4 97 B14R2.8188 Cc1c(c(nc2c1cccc2)O)O 271570a_203496583355_100009820873 [0,1,0,0,0,0|1,0,2]=4 98 B14R2.8188 Oc1c(cc2ncccc2c1F)F 271570a_203496583355_100010163946 [0,1,0,0,0,0|2,0,1]=4 99 B14R2.8239 Nc1cnc2cc(c(cc2c1)O)F 271570a_203496583355_100021278121 [0,1,0,0,0,0|2,0,1]=4 100 B14R2.8239 O=c1[nH]c2cc(cnc2[nH]c1=O)O 271570a_203496583355_100009812773 [0,1,0,0,0,0|1,0,1]=3 101 B14R2.8239 O=c1[nH]c2ccc(cc2[nH]c1=O)O 271570a_203496583355_100011221361 [0,1,0,0,0,0|2,0,1]=4 102 B14R2.8239 Oc1ccc2cc(c(cc2c1)O)O 271570a_203496583355_100010179872 [0,1,0,0,0,0|2,0,1]=4 103 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,0,1,0,0,0|3,0,0]=4 104 B12R1.43 C/C(=C\c1ccccn1)/C(=O)[13CH3] 1458a_100025712827_200025704644 [0,0,1,0,0,0|2,0,0]=3 105 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 11a_100000106764_100009813364 [0,0,1,0,0,0|2,0,0]=3 106 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 1626a_100000106764_100009813364 [0,0,1,0,0,0|2,0,0]=3 107 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,0,1,0,0,0|3,0,0]=4 108 B12R1.43 C=C(C)C(=O)Cc1cccnc1 1458a_100000185857_100000733263 [0,0,1,0,0,0|2,0,0]=3 109 B12R1.43 C=C(C)C(=O)Cc1cccnn1 1458a_100000185857_100016990269 [0,0,1,0,0,0|3,0,0]=4 110 B12R1.43 C=C(C)C(=O)Cc1cnccn1 1458a_100000185857_100016995436 [0,0,1,0,0,0|3,0,0]=4 111 B12R1.43 C=C(C)C(=O)Cc1cncnc1 1458a_100000185857_100015196519 [0,0,1,0,0,0|3,0,0]=4 112 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [0,0,1,0,0,0|2,0,0]=3 113 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [0,0,1,0,0,0|2,0,0]=3 114 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [0,0,1,0,0,0|2,0,0]=3 115 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 11a_100000106764_100000039160 [0,0,1,0,0,0|2,0,0]=3 116 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 1626a_100000106764_100000039160 [0,0,1,0,0,0|2,0,0]=3 117 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 22a_100000106764_100000039160 [0,0,1,0,0,0|2,0,0]=3 118 B12R1.43 C=C(F)C(=O)Nc1ccccc1 11a_100000106764_100000036797 [0,0,1,0,0,0|2,0,0]=3 119 B12R1.43 C=C(F)C(=O)Nc1ccccc1 1626a_100000106764_100000036797 [0,0,1,0,0,0|2,0,0]=3 120 B12R1.43 C=C(F)C(=O)Nc1ccccc1 22a_100000106764_100000036797 [0,0,1,0,0,0|2,0,0]=3 121 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,0,1,0,0,0|3,0,0]=4 122 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,0,1,0,0,0|3,0,0]=4 123 B12R1.43 CC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_200000210301 [0,0,1,0,0,0|2,0,0]=3 124 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,0,1,0,0,0|3,0,0]=4 125 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,0,1,0,0,0|1,0,2]=4 126 B12R1.43 CC(Sc1ccccn1)C(=O)N 62a_100000702099_100011216584 [0,0,1,0,0,0|2,0,1]=4 127 B12R1.43 CC(Sc1ccccn1)C(=O)N 62a_100011216584_100000702099 [0,0,1,0,0,0|2,0,1]=4 128 B12R1.43 C[C@@H](O)C(=O)Cc1cccnc1 1458a_100000717761_100000733263 [0,0,1,0,0,0|1,0,2]=4 129 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,0,1,0,0,0|1,0,2]=4 130 B12R1.43 C[C@H](O)C(=O)Cc1cccnc1 1458a_217856618621_100000733263 [0,0,1,0,0,0|1,0,2]=4 131 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,0,1,0,0,0|1,0,2]=4 132 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,0,1,0,0,0|1,0,2]=4 133 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,0,1,0,0,0|2,0,1]=4 134 B12R1.43 NC(=O)C(F)Sc1ccccn1 62a_100009813875_100011216584 [0,0,1,0,0,0|2,0,1]=4 135 B12R1.43 NC(=O)C(F)Sc1ccccn1 62a_100011216584_100009813875 [0,0,1,0,0,0|2,0,1]=4 136 B12R1.43 O=C(Cc1cccnc1)C(O)O 1458a_100000233687_100000733263 [0,0,1,0,0,0|2,0,1]=4 137 B12R1.43 O=C(Nc1ccccc1)C(O)O 22a_100000106764_100000233687 [0,0,1,0,0,0|2,0,1]=4 138 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,0,1,0,0,0|3,0,0]=4 139 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,0,1,0,0,0|3,0,0]=4 140 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,0,1,0,0,0|1,0,2]=4 141 B12R1.371 C=CC(=O)Cc1cccnc1Br 1458a_100000185746_100010140945 [0,0,1,0,0,0|3,0,0]=4 142 B12R1.371 C=CC(=O)Cc1cccnc1C 1458a_100000185746_100000732876 [0,0,1,0,0,0|2,0,1]=4 143 B12R1.371 C=CC(=O)Cc1cccnc1Cl 1458a_100000185746_100000045678 [0,0,1,0,0,0|3,0,0]=4 144 B12R1.371 C=CC(=O)Cc1cccnc1F 1458a_100000185746_100000099810 [0,0,1,0,0,0|3,0,0]=4 145 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,0,1,0,0,0|3,0,0]=4 146 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,0,1,0,0,0|2,0,1]=4 147 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,0,1,0,0,0|2,0,1]=4 148 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,0,1,0,0,0|3,0,0]=4 149 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,0,1,0,0,0|3,0,0]=4 150 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,0,1,0,0,0|3,0,0]=4 151 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,0,1,0,0,0|3,0,0]=4 152 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,0,1,0,0,0|3,0,0]=4 153 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,0,1,0,0,0|3,0,0]=4 154 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,0,1,0,0,0|1,0,2]=4 155 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,0,1,0,0,0|1,0,2]=4 156 B12R1.371 Cc1ncccc1CC(=O)CO 1458a_100000210174_100000732876 [0,0,1,0,0,0|1,0,2]=4 157 B12R1.371 O=C(CO)Cc1cccnc1Br 1458a_100000210174_100010140945 [0,0,1,0,0,0|2,0,1]=4 158 B12R1.371 O=C(CO)Cc1cccnc1Cl 1458a_100000210174_100000045678 [0,0,1,0,0,0|2,0,1]=4 159 B12R1.371 O=C(CO)Cc1cccnc1F 1458a_100000210174_100000099810 [0,0,1,0,0,0|2,0,1]=4 160 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,0,1,0,0,0|2,0,1]=4 161 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,0,1,0,0,0|2,0,1]=4 162 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,0,1,0,0,0|2,0,1]=4 163 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,0,1,0,0,0|2,0,1]=4 164 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,0,1,0,0,0|2,0,1]=4 165 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,0,1,0,0,0|2,0,1]=4 166 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)Br 62a_100000210623_100010125443 [0,0,1,0,0,0|2,0,1]=4 167 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000210623 [0,0,1,0,0,0|2,0,1]=4 168 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)F 62a_100000210623_100000723523 [0,0,1,0,0,0|2,0,1]=4 169 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000210623 [0,0,1,0,0,0|2,0,1]=4 170 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)O 62a_100000210623_100009814561 [0,0,1,0,0,0|1,0,1]=3 171 B12R1.385 O=CCSc1c[nH]c(=O)c(c1)O 62a_200015260668_100009814561 [0,0,1,0,0,0|2,0,1]=4 172 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,0,0,0,1,0|3,0,0]=4 173 B12R2.18 Cc1nc2cccnn2c1O 271570a_203496583355_200010336598 [0,0,0,0,1,0|2,0,1]=4 174 B12R2.18 Cc1nn2cccnc2c1O 271570a_203496583355_100010221215 [0,0,0,0,1,0|2,0,1]=4 175 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,0,0,0,1,0|3,0,0]=4 176 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,0,0,0,1,0|3,0,0]=4 177 B12R2.100 Cc1cc2[nH]ccc2cc1O 271570a_203496583355_100010199648 [0,0,0,0,1,0|3,0,0]=4 178 B12R2.100 Cc1cc2cc[nH]c2cc1O 271570a_203496583355_100010199660 [0,0,0,0,1,0|2,0,1]=4 179 B12R2.100 Cc1cc2ccsc2cc1O 271570a_203496583355_100010762285 [0,0,0,0,1,0|3,0,0]=4 180 B12R2.100 Cc1nc2[nH]ccc2cc1O 271570a_203496583355_100010212563 [0,0,0,0,1,0|2,0,1]=4 181 B12R2.100 Cc1nc2[nH]cnc2cc1O 271570a_203496583355_100000689652 [0,0,0,0,1,0|2,0,1]=4 182 B12R2.100 Nc1cc2[nH]ccc2cc1O 271570a_203496583355_100010212544 [0,0,0,0,1,0|3,0,0]=4 183 B12R2.100 Nc1cc2[nH]cnc2cc1O 271570a_203496583355_200010336578 [0,0,0,0,1,0|3,0,0]=4 184 B12R2.100 Nc1nc2[nH]ccc2cc1O 271570a_203496583355_100010168486 [0,0,0,0,1,0|2,0,1]=4 185 B12R2.100 Oc1cc2[nH]ccc2cc1Br 271570a_203496583355_100000703010 [0,0,0,0,1,0|2,0,1]=4 186 B12R2.100 Oc1cc2[nH]ccc2cc1F 271570a_203496583355_100009817181 [0,0,0,0,1,0|2,0,1]=4 187 B12R2.100 Oc1cc2cc[nH]c2cc1F 271570a_203496583355_100000731065 [0,0,0,0,1,0|3,0,0]=4 188 B12R2.100 Oc1cc2cc[nH]c2nc1F 271570a_203496583355_100010202306 [0,0,0,0,1,0|2,0,1]=4 189 B12R2.100 Oc1cc2nc[nH]c2cc1F 271570a_203496583355_100012361300 [0,0,0,0,1,0|3,0,0]=4 190 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [1,0,1,0,0,0|2,0,0]=4 191 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [1,0,1,0,0,0|1,0,0]=3 192 B11R1.40 C=CC(=O)Cc1cccnn1 1458a_100000185746_100016990269 [1,0,1,0,0,0|2,0,0]=4 193 B11R1.40 C=CC(=O)Cc1cnccn1 1458a_100000185746_100016995436 [1,0,1,0,0,0|2,0,0]=4 194 B11R1.40 C=CC(=O)Cc1cncnc1 1458a_100000185746_100015196519 [1,0,1,0,0,0|2,0,0]=4 195 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [1,0,1,0,0,0|1,0,0]=3 196 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [1,0,1,0,0,0|1,0,0]=3 197 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [1,0,1,0,0,0|1,0,1]=4 198 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [1,0,1,0,0,0|1,0,1]=4 199 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [1,0,1,0,0,0|1,0,1]=4 200 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,1,0,0,0|2,0,0]=4 201 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [1,0,1,0,0,0|1,0,0]=3 202 B11R1.91 NC(=O)CSc1ccccn1 62a_100000747473_100011216584 [1,0,1,0,0,0|1,0,1]=4 203 B11R1.91 NC(=O)CSc1ccccn1 62a_100011216584_100000747473 [1,0,1,0,0,0|1,0,1]=4 204 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,1,0,0,0|2,0,0]=4 205 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [1,0,1,0,0,0|1,0,0]=3 206 B11R1.41 C=C=Cc1ncccc1C=O 271570a_100015277604_100009816751 [1,0,1,0,0,0|1,0,1]=4 207 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [1,0,1,0,0,0|2,0,0]=4 208 B11R1.41 CC=Cc1ncccc1C=O 271570a_100016259895_100009816751 [1,0,1,0,0,0|1,0,0]=3 209 B11R1.41 CC=Cc1ncccc1NC 271570a_100016259895_200011806188 [1,0,1,0,0,0|1,0,1]=4 210 B11R1.17 Nc1cccnc1OCC=O 34a_100000746358_200009817547 [1,0,1,0,0,0|1,0,1]=4 211 B11R1.17 Nc1cccnc1SCC=O 62a_100000688686_200015260668 [1,0,1,0,0,0|1,0,1]=4 212 B11R1.17 Nc1cccnc1SCC=O 62a_200015260668_100000688686 [1,0,1,0,0,0|1,0,1]=4 213 B11R1.86 CC(=Cc1ncccc1N)C 271570a_100102525489_100000688686 [1,0,1,0,0,0|1,0,1]=4 214 B11R1.1 C=CCOc1ccc(=O)[nH]c1 34a_100000075641_100015514636 [1,0,1,0,0,0|1,0,1]=4 215 B11R1.1 C=CCSc1ccc(=O)[nH]c1 62a_100000210623_100000212171 [1,0,1,0,0,0|1,0,1]=4 216 B11R1.1 C=CCSc1ccc(=O)[nH]c1 62a_100000212171_100000210623 [1,0,1,0,0,0|1,0,1]=4 217 B11R1.192 C=C=Cc1c[nH]c(=O)c(c1)Br 271570a_100015277604_100010125443 [1,0,1,0,0,0|1,0,1]=4 218 B11R1.192 C=C=Cc1c[nH]c(=O)c(c1)F 271570a_100015277604_100000723523 [1,0,1,0,0,0|1,0,1]=4 219 B11R1.192 C=C=Cc1c[nH]c(=O)c(c1)O 271570a_100015277604_100009814561 [1,0,1,0,0,0|0,0,1]=3 220 B11R1.192 CC=Cc1c[nH]c(=O)c(c1)Br 271570a_100016259895_100010125443 [1,0,1,0,0,0|1,0,1]=4 221 B11R1.192 CC=Cc1c[nH]c(=O)c(c1)F 271570a_100016259895_100000723523 [1,0,1,0,0,0|1,0,1]=4 222 B11R1.192 CC=Cc1c[nH]c(=O)c(c1)O 271570a_100016259895_100009814561 [1,0,1,0,0,0|0,0,1]=3 223 B11R1.277 C=Cc1cc(c(=O)[nH]c1C)N 271570a_100011290941_100010126670 [1,0,1,0,0,0|1,0,1]=4 224 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100009813364 [0,1,1,0,0,0|2,0,0]=4 225 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100009813364 [0,1,1,0,0,0|2,0,0]=4 226 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)C 11a_100000124888_100009813364 [0,1,1,0,0,0|2,0,0]=4 227 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100009813364 [0,1,1,0,0,0|2,0,0]=4 228 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100009813364 [0,1,1,0,0,0|2,0,0]=4 229 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100009813364 [0,1,1,0,0,0|2,0,0]=4 230 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)F 11a_100000185862_100009813364 [0,1,1,0,0,0|2,0,0]=4 231 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100009813364 [0,1,1,0,0,0|2,0,0]=4 232 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)I 11a_100000185761_100009813364 [0,1,1,0,0,0|2,0,0]=4 233 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100009813364 [0,1,1,0,0,0|2,0,0]=4 234 B13R1.133 C=C(C)C(=O)Cc1ccc(nc1)Br 1458a_100000185857_100009831999 [0,1,1,0,0,0|2,0,0]=4 235 B13R1.133 C=C(C)C(=O)Cc1ccc(nc1)C 1458a_100000185857_100016987292 [0,1,1,0,0,0|2,0,0]=4 236 B13R1.133 C=C(C)C(=O)Cc1ccc(nc1)Cl 1458a_100000185857_100000735431 [0,1,1,0,0,0|2,0,0]=4 237 B13R1.133 C=C(C)C(=O)Cc1ccc(nc1)F 1458a_100000185857_100009820150 [0,1,1,0,0,0|2,0,0]=4 238 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000185857 [0,1,1,0,0,0|2,0,0]=4 239 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185857 [0,1,1,0,0,0|2,0,0]=4 240 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185857 [0,1,1,0,0,0|2,0,0]=4 241 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000185857 [0,1,1,0,0,0|2,0,0]=4 242 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185857 [0,1,1,0,0,0|2,0,0]=4 243 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 22a_100000124888_100000185857 [0,1,1,0,0,0|2,0,0]=4 244 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000185857 [0,1,1,0,0,0|2,0,0]=4 245 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185857 [0,1,1,0,0,0|2,0,0]=4 246 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185857 [0,1,1,0,0,0|2,0,0]=4 247 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000185857 [0,1,1,0,0,0|2,0,0]=4 248 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185857 [0,1,1,0,0,0|2,0,0]=4 249 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000185857 [0,1,1,0,0,0|2,0,0]=4 250 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000185857 [0,1,1,0,0,0|2,0,0]=4 251 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185857 [0,1,1,0,0,0|2,0,0]=4 252 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000185857 [0,1,1,0,0,0|2,0,0]=4 253 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000185857 [0,1,1,0,0,0|2,0,0]=4 254 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000039160 [0,1,1,0,0,0|2,0,0]=4 255 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000039160 [0,1,1,0,0,0|2,0,0]=4 256 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000039160 [0,1,1,0,0,0|2,0,0]=4 257 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000039160 [0,1,1,0,0,0|2,0,0]=4 258 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000039160 [0,1,1,0,0,0|2,0,0]=4 259 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)C 22a_100000124888_100000039160 [0,1,1,0,0,0|2,0,0]=4 260 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000039160 [0,1,1,0,0,0|2,0,0]=4 261 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000039160 [0,1,1,0,0,0|2,0,0]=4 262 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000039160 [0,1,1,0,0,0|2,0,0]=4 263 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000039160 [0,1,1,0,0,0|2,0,0]=4 264 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000039160 [0,1,1,0,0,0|2,0,0]=4 265 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000039160 [0,1,1,0,0,0|2,0,0]=4 266 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000039160 [0,1,1,0,0,0|2,0,0]=4 267 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000039160 [0,1,1,0,0,0|2,0,0]=4 268 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000039160 [0,1,1,0,0,0|2,0,0]=4 269 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000039160 [0,1,1,0,0,0|2,0,0]=4 270 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000036797 [0,1,1,0,0,0|2,0,0]=4 271 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000036797 [0,1,1,0,0,0|2,0,0]=4 272 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000036797 [0,1,1,0,0,0|2,0,0]=4 273 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000036797 [0,1,1,0,0,0|2,0,0]=4 274 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000036797 [0,1,1,0,0,0|2,0,0]=4 275 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)C 22a_100000124888_100000036797 [0,1,1,0,0,0|2,0,0]=4 276 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000036797 [0,1,1,0,0,0|2,0,0]=4 277 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000036797 [0,1,1,0,0,0|2,0,0]=4 278 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000036797 [0,1,1,0,0,0|2,0,0]=4 279 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000036797 [0,1,1,0,0,0|2,0,0]=4 280 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000036797 [0,1,1,0,0,0|2,0,0]=4 281 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000036797 [0,1,1,0,0,0|2,0,0]=4 282 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000036797 [0,1,1,0,0,0|2,0,0]=4 283 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000036797 [0,1,1,0,0,0|2,0,0]=4 284 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000036797 [0,1,1,0,0,0|2,0,0]=4 285 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000036797 [0,1,1,0,0,0|2,0,0]=4 286 B13R1.135 C/C(=C\c1ccccn1)/C(=O)CF 1458a_100025712827_100015361967 [0,1,1,0,0,0|2,0,0]=4 287 B13R1.135 C/C=C(\C)/C(=O)Cc1cccnc1 1458a_100020587367_100000733263 [0,1,1,0,0,0|2,0,0]=4 288 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 11a_100000106764_100020587367 [0,1,1,0,0,0|2,0,0]=4 289 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 1626a_100000106764_100020587367 [0,1,1,0,0,0|2,0,0]=4 290 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 22a_100000106764_100020587367 [0,1,1,0,0,0|2,0,0]=4 291 B13R1.135 C=C(CO)C(=O)Nc1ccccc1 22a_100000106764_200000705526 [0,1,1,0,0,0|1,0,0]=3 292 B13R1.135 CCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210202 [0,1,1,0,0,0|2,0,0]=4 293 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 11a_106832991635_100016990649 [0,1,1,0,0,0|2,0,0]=4 294 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 1626a_100102657272_100016990649 [0,1,1,0,0,0|2,0,0]=4 295 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 527a_100102657272_100016990649 [0,1,1,0,0,0|2,0,0]=4 296 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 11a_106832991635_200020598536 [0,1,1,0,0,0|2,0,0]=4 297 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100102657272_200020598536 [0,1,1,0,0,0|2,0,0]=4 298 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100102657272_200020598536 [0,1,1,0,0,0|2,0,0]=4 299 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100102657272_200020598536 [0,1,1,0,0,0|2,0,0]=4 300 B13R1.135 CNC(=O)/C(=C/c1ccccn1)/C 11a_106832991635_100025712827 [0,1,1,0,0,0|1,0,0]=3 301 B13R1.135 CNC(=O)/C(=C/c1ccccn1)/C 1626a_100102657272_100025712827 [0,1,1,0,0,0|1,0,0]=3 302 B13R1.135 CNC(=O)/C(=C/c1ccccn1)/C 527a_100102657272_100025712827 [0,1,1,0,0,0|1,0,0]=3 303 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 11a_106832991635_100020889036 [0,1,1,0,0,0|2,0,0]=4 304 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 527a_100102657272_100020889036 [0,1,1,0,0,0|2,0,0]=4 305 B13R1.135 CNC(=O)C(=O)Cc1ccccn1 1458a_100011218921_100000721315 [0,1,1,0,0,0|0,0,2]=4 306 B13R1.135 COC(=O)C(=O)Nc1ccccc1 11a_100000106764_100000024059 [0,1,1,0,0,0|2,0,0]=4 307 B13R1.135 COC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100000024059 [0,1,1,0,0,0|2,0,0]=4 308 B13R1.135 COC(=O)C(=O)Nc1ccccc1 527a_100000106764_100000024059 [0,1,1,0,0,0|2,0,0]=4 309 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Br 11a_100000210019_100009813364 [0,1,1,0,0,0|2,0,0]=4 310 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100009813364 [0,1,1,0,0,0|2,0,0]=4 311 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)C 11a_100000188690_100009813364 [0,1,1,0,0,0|2,0,0]=4 312 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)C 1626a_100000188690_100009813364 [0,1,1,0,0,0|2,0,0]=4 313 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100009813364 [0,1,1,0,0,0|2,0,0]=4 314 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100009813364 [0,1,1,0,0,0|2,0,0]=4 315 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)F 11a_100000210047_100009813364 [0,1,1,0,0,0|2,0,0]=4 316 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)F 1626a_100000210047_100009813364 [0,1,1,0,0,0|2,0,0]=4 317 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)I 11a_100000211102_100009813364 [0,1,1,0,0,0|2,0,0]=4 318 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)I 1626a_100000211102_100009813364 [0,1,1,0,0,0|2,0,0]=4 319 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)O 1626a_100000210217_100009813364 [0,1,1,0,0,0|2,0,0]=4 320 B13R1.148 C=C(C)C(=O)Cc1cncc(c1)Br 1458a_100000185857_100011740620 [0,1,1,0,0,0|2,0,0]=4 321 B13R1.148 C=C(C)C(=O)Cc1cncc(c1)C 1458a_100000185857_100000716715 [0,1,1,0,0,0|2,0,0]=4 322 B13R1.148 C=C(C)C(=O)Cc1cncc(c1)Cl 1458a_100000185857_100016992070 [0,1,1,0,0,0|2,0,0]=4 323 B13R1.148 C=C(C)C(=O)Cc1cncc(c1)F 1458a_100000185857_100000725299 [0,1,1,0,0,0|2,0,0]=4 324 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000185857 [0,1,1,0,0,0|2,0,0]=4 325 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185857 [0,1,1,0,0,0|2,0,0]=4 326 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000185857 [0,1,1,0,0,0|2,0,0]=4 327 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 11a_100000188690_100000185857 [0,1,1,0,0,0|2,0,0]=4 328 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 1626a_100000188690_100000185857 [0,1,1,0,0,0|2,0,0]=4 329 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 22a_100000188690_100000185857 [0,1,1,0,0,0|2,0,0]=4 330 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000185857 [0,1,1,0,0,0|2,0,0]=4 331 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185857 [0,1,1,0,0,0|2,0,0]=4 332 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185857 [0,1,1,0,0,0|2,0,0]=4 333 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 11a_100000210047_100000185857 [0,1,1,0,0,0|2,0,0]=4 334 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000185857 [0,1,1,0,0,0|2,0,0]=4 335 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 22a_100000210047_100000185857 [0,1,1,0,0,0|2,0,0]=4 336 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I 11a_100000211102_100000185857 [0,1,1,0,0,0|2,0,0]=4 337 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000185857 [0,1,1,0,0,0|2,0,0]=4 338 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I 22a_100000211102_100000185857 [0,1,1,0,0,0|2,0,0]=4 339 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000185857 [0,1,1,0,0,0|2,0,0]=4 340 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)O 22a_100000210217_100000185857 [0,1,1,0,0,0|2,0,0]=4 341 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000039160 [0,1,1,0,0,0|2,0,0]=4 342 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000039160 [0,1,1,0,0,0|2,0,0]=4 343 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000039160 [0,1,1,0,0,0|2,0,0]=4 344 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)C 11a_100000188690_100000039160 [0,1,1,0,0,0|2,0,0]=4 345 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)C 1626a_100000188690_100000039160 [0,1,1,0,0,0|2,0,0]=4 346 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)C 22a_100000188690_100000039160 [0,1,1,0,0,0|2,0,0]=4 347 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000039160 [0,1,1,0,0,0|2,0,0]=4 348 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000039160 [0,1,1,0,0,0|2,0,0]=4 349 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000039160 [0,1,1,0,0,0|2,0,0]=4 350 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)F 11a_100000210047_100000039160 [0,1,1,0,0,0|2,0,0]=4 351 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000039160 [0,1,1,0,0,0|2,0,0]=4 352 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)F 22a_100000210047_100000039160 [0,1,1,0,0,0|2,0,0]=4 353 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)I 11a_100000211102_100000039160 [0,1,1,0,0,0|2,0,0]=4 354 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000039160 [0,1,1,0,0,0|2,0,0]=4 355 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)I 22a_100000211102_100000039160 [0,1,1,0,0,0|2,0,0]=4 356 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000039160 [0,1,1,0,0,0|2,0,0]=4 357 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)O 22a_100000210217_100000039160 [0,1,1,0,0,0|2,0,0]=4 358 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000036797 [0,1,1,0,0,0|2,0,0]=4 359 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000036797 [0,1,1,0,0,0|2,0,0]=4 360 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000036797 [0,1,1,0,0,0|2,0,0]=4 361 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)C 11a_100000188690_100000036797 [0,1,1,0,0,0|2,0,0]=4 362 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)C 1626a_100000188690_100000036797 [0,1,1,0,0,0|2,0,0]=4 363 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)C 22a_100000188690_100000036797 [0,1,1,0,0,0|2,0,0]=4 364 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000036797 [0,1,1,0,0,0|2,0,0]=4 365 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000036797 [0,1,1,0,0,0|2,0,0]=4 366 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000036797 [0,1,1,0,0,0|2,0,0]=4 367 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)F 11a_100000210047_100000036797 [0,1,1,0,0,0|2,0,0]=4 368 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000036797 [0,1,1,0,0,0|2,0,0]=4 369 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)F 22a_100000210047_100000036797 [0,1,1,0,0,0|2,0,0]=4 370 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)I 11a_100000211102_100000036797 [0,1,1,0,0,0|2,0,0]=4 371 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000036797 [0,1,1,0,0,0|2,0,0]=4 372 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)I 22a_100000211102_100000036797 [0,1,1,0,0,0|2,0,0]=4 373 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000036797 [0,1,1,0,0,0|2,0,0]=4 374 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)O 22a_100000210217_100000036797 [0,1,1,0,0,0|2,0,0]=4 375 B13R1.152 C=C(Br)C(=O)N(C)c1ccccc1 11a_100000210012_100009813364 [0,1,1,0,0,0|2,0,0]=4 376 B13R1.152 C=C(Br)C(=O)N(C)c1ccccc1 1626a_100000210012_100009813364 [0,1,1,0,0,0|2,0,0]=4 377 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 11a_100000210012_100000185857 [0,1,1,0,0,0|2,0,0]=4 378 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 1626a_100000210012_100000185857 [0,1,1,0,0,0|2,0,0]=4 379 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 22a_100000210012_100000185857 [0,1,1,0,0,0|2,0,0]=4 380 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 11a_100000210012_100000039160 [0,1,1,0,0,0|2,0,0]=4 381 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 1626a_100000210012_100000039160 [0,1,1,0,0,0|2,0,0]=4 382 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 22a_100000210012_100000039160 [0,1,1,0,0,0|2,0,0]=4 383 B13R1.152 C=C(F)C(=O)N(C)c1ccccc1 11a_100000210012_100000036797 [0,1,1,0,0,0|2,0,0]=4 384 B13R1.152 C=C(F)C(=O)N(C)c1ccccc1 1626a_100000210012_100000036797 [0,1,1,0,0,0|2,0,0]=4 385 B13R1.152 C=C(F)C(=O)N(C)c1ccccc1 22a_100000210012_100000036797 [0,1,1,0,0,0|2,0,0]=4 386 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Br 11a_100000210017_100009813364 [0,1,1,0,0,0|2,0,0]=4 387 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Br 1626a_100000210017_100009813364 [0,1,1,0,0,0|2,0,0]=4 388 B13R1.202 C=C(Br)C(=O)Nc1ccccc1C 11a_100015192222_100009813364 [0,1,1,0,0,0|2,0,0]=4 389 B13R1.202 C=C(Br)C(=O)Nc1ccccc1C 1626a_100015192222_100009813364 [0,1,1,0,0,0|2,0,0]=4 390 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Cl 11a_100000185783_100009813364 [0,1,1,0,0,0|2,0,0]=4 391 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Cl 1626a_100000185783_100009813364 [0,1,1,0,0,0|2,0,0]=4 392 B13R1.202 C=C(Br)C(=O)Nc1ccccc1F 11a_100000210422_100009813364 [0,1,1,0,0,0|2,0,0]=4 393 B13R1.202 C=C(Br)C(=O)Nc1ccccc1F 1626a_100000210422_100009813364 [0,1,1,0,0,0|2,0,0]=4 394 B13R1.202 C=C(Br)C(=O)Nc1ccccc1I 11a_100000210053_100009813364 [0,1,1,0,0,0|2,0,0]=4 395 B13R1.202 C=C(Br)C(=O)Nc1ccccc1I 1626a_100000210053_100009813364 [0,1,1,0,0,0|2,0,0]=4 396 B13R1.202 C=C(C)C(=O)Cc1cccnc1Br 1458a_100000185857_100010140945 [0,1,1,0,0,0|2,0,0]=4 397 B13R1.202 C=C(C)C(=O)Cc1cccnc1C 1458a_100000185857_100000732876 [0,1,1,0,0,0|2,0,0]=4 398 B13R1.202 C=C(C)C(=O)Cc1cccnc1Cl 1458a_100000185857_100000045678 [0,1,1,0,0,0|2,0,0]=4 399 B13R1.202 C=C(C)C(=O)Cc1cccnc1F 1458a_100000185857_100000099810 [0,1,1,0,0,0|2,0,0]=4 400 B13R1.202 C=C(C)C(=O)Cc1cnccc1C 1458a_100000185857_100000690890 [0,1,1,0,0,0|2,0,0]=4 401 B13R1.202 C=C(C)C(=O)Nc1ccccc1Br 11a_100000210017_100000185857 [0,1,1,0,0,0|2,0,0]=4 402 B13R1.202 C=C(C)C(=O)Nc1ccccc1Br 1626a_100000210017_100000185857 [0,1,1,0,0,0|2,0,0]=4 403 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 11a_100015192222_100000185857 [0,1,1,0,0,0|2,0,0]=4 404 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 1626a_100015192222_100000185857 [0,1,1,0,0,0|2,0,0]=4 405 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 22a_100015192222_100000185857 [0,1,1,0,0,0|2,0,0]=4 406 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 11a_100000185783_100000185857 [0,1,1,0,0,0|2,0,0]=4 407 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000185857 [0,1,1,0,0,0|2,0,0]=4 408 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 22a_100000185783_100000185857 [0,1,1,0,0,0|2,0,0]=4 409 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 11a_100000210422_100000185857 [0,1,1,0,0,0|2,0,0]=4 410 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 1626a_100000210422_100000185857 [0,1,1,0,0,0|2,0,0]=4 411 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 22a_100000210422_100000185857 [0,1,1,0,0,0|2,0,0]=4 412 B13R1.202 C=C(C)C(=O)Nc1ccccc1I 11a_100000210053_100000185857 [0,1,1,0,0,0|2,0,0]=4 413 B13R1.202 C=C(C)C(=O)Nc1ccccc1I 1626a_100000210053_100000185857 [0,1,1,0,0,0|2,0,0]=4 414 B13R1.202 C=C(C)C(=O)Nc1ccccc1O 22a_100000185747_100000185857 [0,1,1,0,0,0|2,0,0]=4 415 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Br 11a_100000210017_100000039160 [0,1,1,0,0,0|2,0,0]=4 416 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Br 1626a_100000210017_100000039160 [0,1,1,0,0,0|2,0,0]=4 417 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C 11a_100015192222_100000039160 [0,1,1,0,0,0|2,0,0]=4 418 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C 1626a_100015192222_100000039160 [0,1,1,0,0,0|2,0,0]=4 419 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C 22a_100015192222_100000039160 [0,1,1,0,0,0|2,0,0]=4 420 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Cl 11a_100000185783_100000039160 [0,1,1,0,0,0|2,0,0]=4 421 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000039160 [0,1,1,0,0,0|2,0,0]=4 422 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Cl 22a_100000185783_100000039160 [0,1,1,0,0,0|2,0,0]=4 423 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1F 11a_100000210422_100000039160 [0,1,1,0,0,0|2,0,0]=4 424 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1F 1626a_100000210422_100000039160 [0,1,1,0,0,0|2,0,0]=4 425 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1F 22a_100000210422_100000039160 [0,1,1,0,0,0|2,0,0]=4 426 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1I 11a_100000210053_100000039160 [0,1,1,0,0,0|2,0,0]=4 427 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1I 1626a_100000210053_100000039160 [0,1,1,0,0,0|2,0,0]=4 428 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1O 22a_100000185747_100000039160 [0,1,1,0,0,0|2,0,0]=4 429 B13R1.202 C=C(F)C(=O)Nc1ccccc1Br 11a_100000210017_100000036797 [0,1,1,0,0,0|2,0,0]=4 430 B13R1.202 C=C(F)C(=O)Nc1ccccc1Br 1626a_100000210017_100000036797 [0,1,1,0,0,0|2,0,0]=4 431 B13R1.202 C=C(F)C(=O)Nc1ccccc1C 11a_100015192222_100000036797 [0,1,1,0,0,0|2,0,0]=4 432 B13R1.202 C=C(F)C(=O)Nc1ccccc1C 1626a_100015192222_100000036797 [0,1,1,0,0,0|2,0,0]=4 433 B13R1.202 C=C(F)C(=O)Nc1ccccc1C 22a_100015192222_100000036797 [0,1,1,0,0,0|2,0,0]=4 434 B13R1.202 C=C(F)C(=O)Nc1ccccc1Cl 11a_100000185783_100000036797 [0,1,1,0,0,0|2,0,0]=4 435 B13R1.202 C=C(F)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000036797 [0,1,1,0,0,0|2,0,0]=4 436 B13R1.202 C=C(F)C(=O)Nc1ccccc1Cl 22a_100000185783_100000036797 [0,1,1,0,0,0|2,0,0]=4 437 B13R1.202 C=C(F)C(=O)Nc1ccccc1F 11a_100000210422_100000036797 [0,1,1,0,0,0|2,0,0]=4 438 B13R1.202 C=C(F)C(=O)Nc1ccccc1F 1626a_100000210422_100000036797 [0,1,1,0,0,0|2,0,0]=4 439 B13R1.202 C=C(F)C(=O)Nc1ccccc1F 22a_100000210422_100000036797 [0,1,1,0,0,0|2,0,0]=4 440 B13R1.202 C=C(F)C(=O)Nc1ccccc1I 11a_100000210053_100000036797 [0,1,1,0,0,0|2,0,0]=4 441 B13R1.202 C=C(F)C(=O)Nc1ccccc1I 1626a_100000210053_100000036797 [0,1,1,0,0,0|2,0,0]=4 442 B13R1.202 C=C(F)C(=O)Nc1ccccc1O 22a_100000185747_100000036797 [0,1,1,0,0,0|2,0,0]=4 443 B13R1.380 CC=Cc1ccccc1NC(=O)C 271570a_100016259895_100000153524 [0,1,1,0,0,0|2,0,0]=4 444 B13R1.380 CC=Cc1ccccc1NC(=O)N 271570a_100016259895_100000742221 [0,1,1,0,0,0|2,0,0]=4 445 B13R1.380 CC=Cc1ncccc1OC(=O)C 271570a_100016259895_200009815371 [0,1,1,0,0,0|2,0,0]=4 446 B13R1.91 C=CC(=O)Nc1ccccc1C=C 1626a_100012022501_100000185746 [0,1,1,0,0,0|2,0,0]=4 447 B13R1.91 C=CC(=O)Nc1ccccc1C=C 22a_100012022501_100000185746 [0,1,1,0,0,0|2,0,0]=4 448 B13R1.91 C=Cc1ccccc1NC(=O)CO 22a_100012022501_100000210174 [0,1,1,0,0,0|1,0,1]=4 449 B13R1.511 C=C(C)CSc1c[nH]c(=O)c(c1)O 62a_100000748629_100009814561 [0,1,1,0,0,0|1,0,1]=4 450 B13R1.511 C=C(F)CSc1c[nH]c(=O)c(c1)O 62a_100000042424_100009814561 [0,1,1,0,0,0|1,0,1]=4 451 B13R1.575 C=CCSc1c[nH]c(=O)c(c1)OC 62a_100000210623_100010125397 [0,1,1,0,0,0|1,0,1]=4 452 B13R1.669 C/C=C/CSc1c[nH]c(=O)c(c1)O 62a_100102629194_100009814561 [0,1,1,0,0,0|1,0,1]=4 453 B13R1.669 C=CCCSc1c[nH]c(=O)c(c1)O 62a_100000754431_100009814561 [0,1,1,0,0,0|1,0,1]=4 454 B13R1.669 CC=CCSc1c[nH]c(=O)c(c1)O 62a_100000070051_100009814561 [0,1,1,0,0,0|1,0,1]=4 455 B13R1.2879 C=CC(C)Sc1c[nH]c(=O)c(c1)O 62a_100011215867_100009814561 [0,1,1,0,0,0|1,0,1]=4 456 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [1,1,0,0,0,0|2,0,0]=4 457 B13R2.32 Cc1c(ccc2c1cccn2)O 271570a_203496583355_200010137439 [1,1,0,0,0,0|1,0,1]=4 458 B13R2.32 Cc1c(ccc2c1nccc2)O 271570a_203496583355_100010214467 [1,1,0,0,0,0|1,0,0]=3 459 B13R2.32 Cc1c(ccc2c1nccn2)O 271570a_203496583355_100135414757 [1,1,0,0,0,0|2,0,0]=4 460 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [1,1,0,0,0,0|2,0,0]=4 461 B13R2.32 Nc1c(ccc2c1cccn2)O 271570a_203496583355_200010235790 [1,1,0,0,0,0|1,0,1]=4 462 B13R2.32 Nc1c(cnc2c1cccc2)O 271570a_203496583355_100009995562 [1,1,0,0,0,0|1,0,1]=4 463 B13R2.32 Nc1ccc2ncccc2c1O 271570a_203496583355_200009995563 [1,1,0,0,0,0|2,0,0]=4 464 B13R2.32 Nc1cnc2cccnc2c1O 271570a_203496583355_100009889961 [1,1,0,0,0,0|1,0,1]=4 465 B13R2.32 O=c1c(c[nH]c2c1cccc2)O 271570a_203496583355_100012339567 [1,1,0,0,0,0|1,0,0]=3 466 B13R2.32 O=c1c(coc2c1cccc2)O 271570a_203496583355_100009813851 [1,1,0,0,0,0|2,0,0]=4 467 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [1,1,0,0,0,0|2,0,0]=4 468 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [1,1,0,0,0,0|2,0,0]=4 469 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [1,1,0,0,0,0|2,0,0]=4 470 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [1,1,0,0,0,0|2,0,0]=4 471 B13R2.32 Oc1ccc2cccnc2c1F 271570a_203496583355_100010751467 [1,1,0,0,0,0|1,0,0]=3 472 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100009816563 [1,1,0,0,0,0|1,0,0]=3 473 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100010173343 [1,1,0,0,0,0|1,0,0]=3 474 B13R2.32 Oc1cnc2ccccc2c1Cl 271570a_203496583355_100012352519 [1,1,0,0,0,0|1,0,1]=4 475 B13R2.57 C=Cc1ccc2cccnc2c1 271570a_100011290941_100009816655 [1,1,0,0,0,0|2,0,0]=4 476 B13R2.57 C=Cc1ccc2ncccc2c1 271570a_100011290941_100000754243 [1,1,0,0,0,0|2,0,0]=4 477 B13R2.57 C=Cc1ccc2ncccc2n1 271570a_100011290941_100000073381 [1,1,0,0,0,0|1,0,1]=4 478 B13R2.57 C=Cc1cnc2cccnc2c1 271570a_100011290941_100010246316 [1,1,0,0,0,0|1,0,1]=4 479 B13R2.57 CNc1ccc2cccnc2c1 34a_100102887122_200000210301 [1,1,0,0,0,0|2,0,0]=4 480 B13R2.57 CNc1ccc2ncccc2c1 34a_100011198106_200000210301 [1,1,0,0,0,0|2,0,0]=4 481 B13R2.57 CNc1ccc2ncccc2n1 27a_100102657272_100000073381 [1,1,0,0,0,0|1,0,1]=4 482 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [1,1,0,0,0,0|2,0,0]=4 483 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [1,1,0,0,0,0|2,0,0]=4 484 B13R2.57 COc1ccc2cccnc2c1 34a_100011216045_200000210301 [1,1,0,0,0,0|1,0,0]=3 485 B13R2.57 COc1ccc2ncccc2c1 34a_100011215586_200000210301 [1,1,0,0,0,0|1,0,1]=4 486 B13R2.57 COc1ccc2ncccc2c1 7a_100011215586_200000210301 [1,1,0,0,0,0|1,0,1]=4 487 B13R2.57 COc1ccc2nccnc2c1 34a_100000694412_200000210301 [1,1,0,0,0,0|2,0,0]=4 488 B13R2.57 COc1cnc2ccccc2c1 34a_100011934006_200000210301 [1,1,0,0,0,0|1,0,1]=4 489 B13R2.57 COc1cnc2ccccc2c1 7a_100011934006_200000210301 [1,1,0,0,0,0|1,0,1]=4 490 B13R2.57 CSc1ccc2cccnc2c1 62a_200000210301_100009816655 [1,1,0,0,0,0|1,1,0]=4 491 B13R2.57 CSc1ccc2ncccc2c1 62a_100011215947_200000210301 [1,1,0,0,0,0|1,1,0]=4 492 B13R2.57 CSc1ccc2ncccc2c1 62a_200000210301_100011215947 [1,1,0,0,0,0|1,1,0]=4 493 B13R2.57 CSc1ccc2ncccc2n1 62a_200000210301_100000073381 [1,1,0,0,0,0|0,1,1]=4 494 B13R2.57 CSc1cnc2cccnc2c1 62a_100010246316_200000210301 [1,1,0,0,0,0|0,1,1]=4 495 B13R2.57 CSc1cnc2cccnc2c1 62a_200000210301_100010246316 [1,1,0,0,0,0|0,1,1]=4 496 B13R2.57 [13CH3]Nc1ccc2cccnc2c1 34a_100102887122_200025704644 [1,1,0,0,0,0|2,0,0]=4 497 B13R2.57 [13CH3]Nc1ccc2ncccc2c1 34a_100011198106_200025704644 [1,1,0,0,0,0|2,0,0]=4 498 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [1,1,0,0,0,0|2,0,0]=4 499 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [1,1,0,0,0,0|2,0,0]=4 500 B13R2.57 [13CH3]Oc1ccc2cccnc2c1 34a_100011216045_200025704644 [1,1,0,0,0,0|1,0,0]=3 501 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 34a_100011215586_200025704644 [1,1,0,0,0,0|1,0,1]=4 502 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 7a_100011215586_200025704644 [1,1,0,0,0,0|1,0,1]=4 503 B13R2.57 [13CH3]Oc1ccc2nccnc2c1 34a_100000694412_200025704644 [1,1,0,0,0,0|2,0,0]=4 504 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 34a_100011934006_200025704644 [1,1,0,0,0,0|1,0,1]=4 505 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 7a_100011934006_200025704644 [1,1,0,0,0,0|1,0,1]=4 506 B13R2.57 [13CH3]Sc1ccc2cccnc2c1 62a_200025704644_100009816655 [1,1,0,0,0,0|1,1,0]=4 507 B13R2.57 [13CH3]Sc1ccc2ncccc2c1 62a_100011215947_200025704644 [1,1,0,0,0,0|1,1,0]=4 508 B13R2.57 [13CH3]Sc1ccc2ncccc2c1 62a_200025704644_100011215947 [1,1,0,0,0,0|1,1,0]=4 509 B13R2.57 [13CH3]Sc1ccc2ncccc2n1 62a_200025704644_100000073381 [1,1,0,0,0,0|0,1,1]=4 510 B13R2.57 [13CH3]Sc1cnc2cccnc2c1 62a_100010246316_200025704644 [1,1,0,0,0,0|0,1,1]=4 511 B13R2.57 [13CH3]Sc1cnc2cccnc2c1 62a_200025704644_100010246316 [1,1,0,0,0,0|0,1,1]=4 512 B13R2.155 Cc1ccc2ccc(cc2n1)O 271570a_203496583355_100009817087 [1,1,0,0,0,0|1,0,0]=3 513 B13R2.155 Cc1ccc2ncc(cc2c1)O 271570a_203496583355_100015841224 [1,1,0,0,0,0|1,0,1]=4 514 B13R2.155 Cc1cnc2ccc(cc2c1)O 271570a_203496583355_100009817055 [1,1,0,0,0,0|1,0,1]=4 515 B13R2.155 Cc1ncc2ccc(cc2n1)O 271570a_203496583355_100010233817 [1,1,0,0,0,0|2,0,0]=4 516 B13R2.155 Nc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090036 [1,1,0,0,0,0|2,0,0]=4 517 B13R2.155 Nc1ccc2ccc(cc2n1)O 271570a_203496583355_100010187616 [1,1,0,0,0,0|1,0,0]=3 518 B13R2.155 Nc1ccc2ccc(nc2n1)O 271570a_203496583355_100000117679 [1,1,0,0,0,0|2,0,0]=4 519 B13R2.155 Nc1ccc2ncc(cc2c1)O 271570a_203496583355_100009888932 [1,1,0,0,0,0|1,0,1]=4 520 B13R2.155 Nc1cnc2ccc(cc2n1)O 271570a_203496583355_100010090528 [1,1,0,0,0,0|2,0,0]=4 521 B13R2.155 Nc1ncc2ccc(cc2n1)O 271570a_203496583355_100010199760 [1,1,0,0,0,0|2,0,0]=4 522 B13R2.155 O=C1COc2ncc(cc2N1)O 271570a_203496583355_100000699640 [1,1,0,0,0,0|1,0,1]=4 523 B13R2.155 O=c1ccc2ccc(cc2o1)O 271570a_203496583355_100009993525 [1,1,0,0,0,0|2,0,0]=4 524 B13R2.155 O=c1ccc2cnc(cc2[nH]1)O 271570a_203496583355_100010563892 [1,1,0,0,0,0|2,0,0]=4 525 B13R2.155 Oc1ccc2ccc(cc2c1)O 271570a_203496583355_100009816537 [1,1,0,0,0,0|2,0,0]=4 526 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000079174 [1,1,0,0,0,0|1,0,0]=3 527 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000690401 [1,1,0,0,0,0|1,0,0]=3 528 B13R2.155 Oc1ccc2ccc(nc2n1)O 271570a_203496583355_200010218124 [1,1,0,0,0,0|2,0,0]=4 529 B13R2.155 Oc1ccc2ncc(cc2c1)Br 271570a_203496583355_200010254249 [1,1,0,0,0,0|1,0,1]=4 530 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100000703654 [1,1,0,0,0,0|1,0,1]=4 531 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100010137430 [1,1,0,0,0,0|1,0,1]=4 532 B13R2.155 Oc1ccc2ncc(cc2n1)F 271570a_203496583355_100009889179 [1,1,0,0,0,0|0,0,2]=4 533 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_100010000190 [1,1,0,0,0,0|2,0,0]=4 534 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_200020640061 [1,1,0,0,0,0|2,0,0]=4 535 B13R2.155 Oc1cnc2ccc(cc2c1)Br 271570a_203496583355_100010740133 [1,1,0,0,0,0|1,0,1]=4 536 B13R2.155 Oc1cnc2ccc(cc2c1)Cl 271570a_203496583355_100015929906 [1,1,0,0,0,0|1,0,1]=4 537 B13R2.155 Oc1cnc2ccc(nc2c1)O 271570a_203496583355_100010009477 [1,1,0,0,0,0|0,0,1]=3 538 B13R2.162 Cc1ccc2nccc(c2c1)O 271570a_203496583355_100000751279 [1,1,0,0,0,0|2,0,0]=4 539 B13R2.162 Cc1ccc2nccc(c2n1)O 271570a_203496583355_100009889967 [1,1,0,0,0,0|1,0,1]=4 540 B13R2.162 Cc1cccc2c1cc(cc2)O 271570a_203496583355_100010089936 [1,1,0,0,0,0|2,0,0]=4 541 B13R2.162 Cc1ccnc2c1cc(cc2)O 271570a_203496583355_100009817033 [1,1,0,0,0,0|1,0,1]=4 542 B13R2.162 Nc1ccc2nccc(c2c1)O 271570a_203496583355_100009879071 [1,1,0,0,0,0|2,0,0]=4 543 B13R2.162 Nc1cccc2c1cc(cc2)O 271570a_203496583355_100010090012 [1,1,0,0,0,0|2,0,0]=4 544 B13R2.162 Nc1cccc2c1cc(cn2)O 271570a_203496583355_100010264086 [1,1,0,0,0,0|1,0,1]=4 545 B13R2.162 Nc1ccnc2c1cc(cc2)O 271570a_203496583355_100011620571 [1,1,0,0,0,0|1,0,1]=4 546 B13R2.162 O=c1ccc2cccc(c2[nH]1)O 271570a_203496583355_100000688906 [1,1,0,0,0,0|1,0,0]=3 547 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010089991 [1,1,0,0,0,0|2,0,0]=4 548 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010169565 [1,1,0,0,0,0|2,0,0]=4 549 B13R2.162 Oc1ccc2nccc(c2c1)Cl 271570a_203496583355_100011310491 [1,1,0,0,0,0|1,0,1]=4 550 B13R2.162 Oc1ccc2nccc(c2c1)O 271570a_203496583355_100000075933 [1,1,0,0,0,0|1,0,1]=4 551 B13R2.162 Oc1ccnc2c1cc(cc2)Br 271570a_203496583355_100010189052 [1,1,0,0,0,0|2,0,0]=4 552 B13R2.162 Oc1ccnc2c1cc(cc2)F 271570a_203496583355_100011217270 [1,1,0,0,0,0|2,0,0]=4 553 B13R2.162 Oc1ccnc2c1nc(cc2)F 271570a_203496583355_100000719316 [1,1,0,0,0,0|1,0,1]=4 554 B13R2.162 Oc1cnc2cccc(c2c1)O 271570a_203496583355_200010153752 [1,1,0,0,0,0|1,0,1]=4 555 B13R2.328 Cc1cc(c2ncccc2c1)O 271570a_203496583355_100010113427 [1,1,0,0,0,0|2,0,0]=4 556 B13R2.328 Cc1cc(cc2c1nccc2)O 271570a_203496583355_100010130319 [1,1,0,0,0,0|1,0,1]=4 557 B13R2.328 Cc1cc(cc2c1nccn2)O 271570a_203496583355_100010080486 [1,1,0,0,0,0|2,0,0]=4 558 B13R2.328 Nc1cc(cc2c1cccc2)O 271570a_203496583355_100010171453 [1,1,0,0,0,0|2,0,0]=4 559 B13R2.328 Nc1cc(cc2c1cccn2)O 271570a_203496583355_200010263263 [1,1,0,0,0,0|1,0,0]=3 560 B13R2.328 Nc1cc(cc2c1nccc2)O 271570a_203496583355_100009814519 [1,1,0,0,0,0|1,0,1]=4 561 B13R2.328 O=c1cc([nH]c2c1cccc2)O 271570a_203496583355_100000090176 [1,1,0,0,0,0|1,0,1]=4 562 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [1,1,0,0,0,0|1,0,0]=3 563 B13R2.328 O=c1cc(c2cccnc2[nH]1)O 271570a_203496583355_100010499609 [1,1,0,0,0,0|2,0,0]=4 564 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [1,1,0,0,0,0|2,0,0]=4 565 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [1,1,0,0,0,0|2,0,0]=4 566 B13R2.328 Oc1cc(c2ncccc2c1)Cl 271570a_203496583355_200010369337 [1,1,0,0,0,0|1,0,1]=4 567 B13R2.328 Oc1cc(c2ncccc2c1)F 271570a_203496583355_100010234705 [1,1,0,0,0,0|1,0,1]=4 568 B13R2.328 Oc1cc(c2ncccc2c1)O 271570a_203496583355_100010248853 [1,1,0,0,0,0|1,0,1]=4 569 B13R2.328 Oc1cc(c2nccnc2c1)F 271570a_203496583355_100010079260 [1,1,0,0,0,0|2,0,0]=4 570 B13R2.328 Oc1cc(cc2c1nccc2)Br 271570a_203496583355_100010090713 [1,1,0,0,0,0|2,0,0]=4 571 B13R2.328 Oc1cc(cc2c1nccc2)F 271570a_203496583355_100010214460 [1,1,0,0,0,0|2,0,0]=4 572 B13R2.328 [O-][n+]1cc(cc2c1cccc2)O 271570a_203496583355_200010000521 [1,1,0,0,0,0|1,0,1]=4 573 B13R2.3683 Cc1ccc2cc(ccc2n1)O 271570a_203496583355_100000686635 [1,1,0,0,0,0|1,0,1]=4 574 B13R2.3683 Cc1ccc2nc(ccc2c1)O 271570a_203496583355_100011865911 [1,1,0,0,0,0|2,0,0]=4 575 B13R2.3683 Cc1ccc2nc(ccc2n1)O 271570a_203496583355_200009884078 [1,1,0,0,0,0|0,0,2]=4 576 B13R2.3683 Cc1cnc2cc(ccc2c1)O 271570a_203496583355_100010751441 [1,1,0,0,0,0|1,0,0]=3 577 B13R2.3683 Nc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185457 [1,1,0,0,0,0|2,0,0]=4 578 B13R2.3683 Nc1ccc2cc(ccc2n1)O 271570a_203496583355_100011934619 [1,1,0,0,0,0|1,0,1]=4 579 B13R2.3683 Nc1ccc2cc(cnc2c1)O 271570a_203496583355_200010264087 [1,1,0,0,0,0|1,0,1]=4 580 B13R2.3683 Nc1cnc2cc(ccc2c1)O 271570a_203496583355_100010142226 [1,1,0,0,0,0|1,0,0]=3 581 B13R2.3683 O=C1COc2nc(ccc2N1)O 271570a_203496583355_100010201792 [1,1,0,0,0,0|1,0,1]=4 582 B13R2.3683 O=c1ccc2cc(ccc2[nH]1)O 271570a_203496583355_100011934725 [1,1,0,0,0,0|1,0,0]=3 583 B13R2.3683 O=c1ccc2cc(ccc2o1)O 271570a_203496583355_100009999946 [1,1,0,0,0,0|2,0,0]=4 584 B13R2.3683 O=c1cnc2cc(ccc2[nH]1)O 271570a_203496583355_100010209493 [1,1,0,0,0,0|2,0,0]=4 585 B13R2.3683 O=c1cnc2cc(cnc2[nH]1)O 271570a_203496583355_200010159638 [1,1,0,0,0,0|1,0,1]=4 586 B13R2.3683 Oc1ccc2cc(ccc2c1)Br 271570a_203496583355_100012344972 [1,1,0,0,0,0|2,0,0]=4 587 B13R2.3683 Oc1ccc2cc(ccc2c1)F 271570a_203496583355_100009817052 [1,1,0,0,0,0|2,0,0]=4 588 B13R2.3683 Oc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185455 [1,1,0,0,0,0|2,0,0]=4 589 B13R2.3683 Oc1ccc2cc(ccc2n1)F 271570a_203496583355_100011998705 [1,1,0,0,0,0|2,0,0]=4 590 B13R2.3683 Oc1ccc2cc(cnc2c1)Br 271570a_203496583355_200015509644 [1,1,0,0,0,0|1,0,0]=3 591 B13R2.3683 Oc1ccc2cc(cnc2c1)F 271570a_203496583355_100010751466 [1,1,0,0,0,0|1,0,0]=3 592 B13R2.3683 Oc1ccc2nc(ccc2c1)Cl 271570a_203496583355_200012034268 [1,1,0,0,0,0|1,0,1]=4 593 B13R2.3683 Oc1ccc2nc(ccc2c1)O 271570a_203496583355_100009849208 [1,1,0,0,0,0|1,0,1]=4 594 B13R2.3683 Oc1ccc2nc(cnc2c1)O 271570a_203496583355_200010664160 [1,1,0,0,0,0|2,0,0]=4 595 B13R2.3683 Oc1cnc2cc(ccc2c1)Cl 271570a_203496583355_100015716233 [1,1,0,0,0,0|1,0,1]=4 596 B13R2.3683 Oc1cnc2cc(ccc2c1)O 271570a_203496583355_200010153753 [1,1,0,0,0,0|1,0,0]=3 597 B13R2.3683 Oc1cnc2nc(ccc2c1)O 271570a_203496583355_100009814606 [1,1,0,0,0,0|2,0,0]=4 598 B13R2.5179 Cc1cccc2c1ncc(c2)O 271570a_203496583355_100009829671 [1,1,0,0,0,0|1,0,1]=4 599 B13R2.5179 Cc1ccnc2c1ccc(c2)O 271570a_203496583355_100010132309 [1,1,0,0,0,0|1,0,0]=3 600 B13R2.5179 Nc1cccc2c1ccc(c2)O 271570a_203496583355_100010090037 [1,1,0,0,0,0|2,0,0]=4 601 B13R2.5179 Nc1cccc2c1ncc(c2)O 271570a_203496583355_100000702407 [1,1,0,0,0,0|1,0,1]=4 602 B13R2.5179 Nc1ccnc2c1ccc(c2)O 271570a_203496583355_200009816820 [1,1,0,0,0,0|1,0,0]=3 603 B13R2.5179 Nc1ncnc2c1ccc(c2)O 271570a_203496583355_100010199758 [1,1,0,0,0,0|2,0,0]=4 604 B13R2.5179 O=c1[nH]cnc2c1ccc(c2)O 271570a_203496583355_100000230960 [1,1,0,0,0,0|2,0,0]=4 605 B13R2.5179 O=c1[nH]cnc2c1ncc(c2)O 271570a_203496583355_100000709876 [1,1,0,0,0,0|1,0,1]=4 606 B13R2.5179 O=c1ccc2c(cccc2[nH]1)O 271570a_203496583355_100000726145 [1,1,0,0,0,0|1,0,0]=3 607 B13R2.5179 O=c1ccoc2c1ccc(c2)O 271570a_203496583355_100010062221 [1,1,0,0,0,0|2,0,0]=4 608 B13R2.5179 Oc1ccc2c(cccc2c1)O 271570a_203496583355_100010202202 [1,1,0,0,0,0|2,0,0]=4 609 B13R2.5179 Oc1ccc2c(ccnc2c1)Cl 271570a_203496583355_100009996786 [1,1,0,0,0,0|1,0,0]=3 610 B13R2.5179 Oc1ccc2c(ccnc2c1)O 271570a_203496583355_100000045489 [1,1,0,0,0,0|1,0,0]=3 611 B13R2.5179 Oc1ccc2c(ccnc2c1)O 271570a_203496583355_100000756855 [1,1,0,0,0,0|1,0,0]=3 612 B13R2.5179 Oc1ccnc2c1ccc(c2)Cl 271570a_203496583355_100012352046 [1,1,0,0,0,0|2,0,0]=4 613 B13R2.5179 Oc1ccnc2c1ccc(c2)F 271570a_203496583355_100000755548 [1,1,0,0,0,0|2,0,0]=4 614 B13R2.5179 Oc1ccnc2c1ncc(c2)F 271570a_203496583355_100011072215 [1,1,0,0,0,0|1,0,1]=4 615 B13R2.5179 Oc1cnc2c(cccc2c1)Br 271570a_203496583355_100010204298 [1,1,0,0,0,0|1,0,1]=4 616 B13R2.5179 Oc1cnc2c(cccc2c1)Cl 271570a_203496583355_100000759377 [1,1,0,0,0,0|1,0,1]=4 617 B13R2.5179 Oc1cnc2c(cccc2c1)F 271570a_203496583355_100000049890 [1,1,0,0,0,0|1,0,1]=4 618 B13R2.45 O=Cc1sc2ccccc2c1O 271570a_203496583355_100009816528 [0,1,0,0,1,0|2,0,0]=4 619 B13R2.3028 O=C1Nc2ccc(cc2C1=O)O 271570a_203496583355_100000024671 [0,1,0,0,1,0|1,0,1]=4 620 B13R2.3028 O=C1Nc2ncc(cc2C1=O)O 271570a_203496583355_100010174890 [0,1,0,0,1,0|1,0,1]=4 621 B13R2.4825 O=C1Nc2c(cccc2C1=O)O 271570a_203496583355_100000183292 [0,1,0,0,1,0|1,0,1]=4 622 B13R2.4856 O=C1Nc2cccc(c2C1=O)O 271570a_203496583355_100000697038 [0,1,0,0,1,0|1,0,1]=4 623 B13R2.5190 O=C1Nc2cc(ccc2C1=O)O 271570a_203496583355_100000239657 [0,1,0,0,1,0|1,0,1]=4 624 B15R2.117 C=Cc1cc2cccnc2cc1OC 271570a_100011290941_100020706834 [0,2,0,0,0,0|2,0,0]=4 625 B15R2.117 COc1cc2ncccc2cc1SC 62a_100020706834_200000210301 [0,2,0,0,0,0|1,1,0]=4 626 B15R2.117 COc1cc2ncccc2cc1SC 62a_200000210301_100020706834 [0,2,0,0,0,0|1,1,0]=4 627 B15R2.117 COc1cc2ncccc2cc1S[13CH3] 62a_100020706834_200025704644 [0,2,0,0,0,0|1,1,0]=4 628 B15R2.117 COc1cc2ncccc2cc1S[13CH3] 62a_200025704644_100020706834 [0,2,0,0,0,0|1,1,0]=4 629 B15R2.274 N#Cc1c(c2ccccc2[nH]c1=O)O 271570a_203496583355_100000040898 [0,2,0,0,0,0|2,0,0]=4 630 B15R2.888 CCOc1cc2ccccc2oc1=O 7a_100000061252_100000210202 [0,2,0,0,0,0|2,0,0]=4 631 B15R2.888 O=c1oc2ccccc2cc1OCF 7a_100000061252_100015361967 [0,2,0,0,0,0|2,0,0]=4 632 B15R2.984 CC(=O)c1cc2ccccc2cc1O 1458a_100000212107_200000210301 [0,2,0,0,0,0|2,0,0]=4 633 B15R2.984 [13CH3]C(=O)c1cc2ccccc2cc1O 1458a_100000212107_200025704644 [0,2,0,0,0,0|2,0,0]=4 634 B15R2.2393 COc1cc2c(ccnc2cc1O)O 271570a_203496583355_100010174314 [0,2,0,0,0,0|1,0,1]=4 635 B15R2.9032 Cc1c(c(=O)n(c2c1cccc2)C)O 271570a_203496583355_100010739255 [0,2,0,0,0,0|1,0,0]=3 636 B15R2.63893 Cc1c(c(=O)oc2c1ccc(c2)O)O 271570a_203496583355_200009996780 [0,2,0,0,0,0|2,0,0]=4 637 B15R2.21336 C=Cc1cnc2[nH]c(=O)c(=O)[nH]c2c1 271570a_100011290941_100009812773 [0,2,0,0,0,0|1,0,1]=4 638 B15R2.21336 CSc1cnc2[nH]c(=O)c(=O)[nH]c2c1 62a_200000210301_100009812773 [0,2,0,0,0,0|1,0,1]=4 639 B15R2.21336 [13CH3]Sc1cnc2[nH]c(=O)c(=O)[nH]c2c1 62a_200025704644_100009812773 [0,2,0,0,0,0|1,0,1]=4 640 B13R2.292 CC=Cc1nccc2c1[nH]cc2 271570a_100016259895_100009816714 [0,0,1,1,0,0|2,0,0]=4 641 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [1,0,0,0,1,0|1,0,1]=4 642 B11R2.1 Oc1c[nH]c2c1ccnc2 271570a_203496583355_100010232032 [1,0,0,0,1,0|2,0,0]=4 643 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [1,0,0,0,1,0|2,0,0]=4 644 B11R2.1 Oc1c[nH]c2c1nccc2 271570a_203496583355_100009817151 [1,0,0,0,1,0|0,0,0]=2 645 B11R2.1 Oc1cnc2n1nccc2 271570a_203496583355_100009819068 [1,0,0,0,1,0|1,0,1]=4 646 B11R2.1 Oc1cnn2c1nccc2 271570a_203496583355_100009819579 [1,0,0,0,1,0|1,0,1]=4 647 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,0,1,0|2,0,0]=4 648 B11R2.1 Oc1coc2c1nccc2 271570a_203496583355_100009889148 [1,0,0,0,1,0|1,0,0]=3 649 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,0,1,0|2,0,0]=4 650 B11R2.1 Oc1csc2c1cccn2 271570a_203496583355_100009830249 [1,0,0,0,1,0|1,0,1]=4 651 B11R2.1 Oc1csc2c1nccc2 271570a_203496583355_100010247092 [1,0,0,0,1,0|1,0,0]=3 652 B11R2.1 Oc1csc2c1nccn2 271570a_203496583355_100010174841 [1,0,0,0,1,0|2,0,0]=4 653 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [1,0,0,0,1,0|2,0,0]=4 654 B11R2.1 Oc1n[nH]c2c1nccc2 271570a_203496583355_100009817118 [1,0,0,0,1,0|1,0,0]=3 655 B11R2.1 Oc1n[nH]c2c1nccn2 271570a_203496583355_100009819591 [1,0,0,0,1,0|2,0,0]=4 656 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,0,1,0|1,0,0]=3 657 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,0,1,0|2,0,0]=4 658 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,0,1,0|2,0,0]=4 659 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [1,0,0,0,1,0|1,0,0]=3 660 B11R2.10 Oc1cn2ncccc2n1 271570a_203496583355_200010296001 [1,0,0,0,1,0|1,0,1]=4 661 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [1,0,0,0,1,0|2,0,0]=4 662 B11R2.10 Oc1nc2cccnc2s1 271570a_203496583355_100010188088 [1,0,0,0,1,0|1,0,1]=4 663 B11R2.36 Oc1ccc2[nH]ccc2c1 271570a_203496583355_100000211741 [1,0,0,0,1,0|2,0,0]=4 664 B11R2.36 Oc1ccc2[nH]cnc2c1 271570a_203496583355_100011265325 [1,0,0,0,1,0|2,0,0]=4 665 B11R2.36 Oc1ccc2c(c1)C=CC2 271570a_203496583355_100009814306 [1,0,0,0,1,0|1,0,1]=4 666 B11R2.36 Oc1ccc2c(c1)CC=C2 271570a_203496583355_200009818231 [1,0,0,0,1,0|1,0,1]=4 667 B11R2.36 Oc1ccc2cc[nH]c2c1 271570a_203496583355_100000743809 [1,0,0,0,1,0|1,0,1]=4 668 B11R2.36 Oc1ccc2ccnn2c1 271570a_203496583355_100009820231 [1,0,0,0,1,0|2,0,0]=4 669 B11R2.36 Oc1ccc2ccoc2c1 271570a_203496583355_100000759542 [1,0,0,0,1,0|2,0,0]=4 670 B11R2.36 Oc1ccc2ccsc2c1 271570a_203496583355_100009888917 [1,0,0,0,1,0|2,0,0]=4 671 B11R2.36 Oc1ccc2cscc2c1 271570a_203496583355_200010760811 [1,0,0,0,1,0|2,0,0]=4 672 B11R2.36 Oc1ccc2csnc2c1 271570a_203496583355_100010170880 [1,0,0,0,1,0|2,0,0]=4 673 B11R2.36 Oc1ccc2occc2c1 271570a_203496583355_100012343831 [1,0,0,0,1,0|2,0,0]=4 674 B11R2.36 Oc1ccc2ocnc2c1 271570a_203496583355_100009816175 [1,0,0,0,1,0|2,0,0]=4 675 B11R2.36 Oc1ccc2sccc2c1 271570a_203496583355_100009814439 [1,0,0,0,1,0|2,0,0]=4 676 B11R2.36 Oc1ccc2scnc2c1 271570a_203496583355_100010005895 [1,0,0,0,1,0|2,0,0]=4 677 B11R2.36 Oc1ccn2ccnc2c1 271570a_203496583355_100009816855 [1,0,0,0,1,0|2,0,0]=4 678 B11R2.36 Oc1cnc2[nH]ccc2c1 271570a_203496583355_100000760471 [1,0,0,0,1,0|1,0,1]=4 679 B11R2.36 Oc1cnc2cc[nH]c2c1 271570a_203496583355_100009818992 [1,0,0,0,1,0|0,0,2]=4 680 B11R2.36 Oc1cnc2ccnn2c1 271570a_203496583355_100011349234 [1,0,0,0,1,0|1,0,1]=4 681 B11R2.36 Oc1cnc2sccc2c1 271570a_203496583355_100010135160 [1,0,0,0,1,0|1,0,1]=4 682 B11R2.36 Oc1cnc2scnc2c1 271570a_203496583355_100010178689 [1,0,0,0,1,0|1,0,1]=4 683 B13R1.348 C=C(C)CC(=O)Cc1cccnc1 1458a_100000737805_100000748629 [0,0,1,0,0,1|2,0,0]=4 684 B13R1.348 C=C(F)CC(=O)Cc1cccnc1 1458a_100000737805_100009893438 [0,0,1,0,0,1|2,0,0]=4 685 B13R1.348 NC(=O)CC(=O)Cc1ccccn1 1458a_100000233486_100000187820 [0,0,1,0,0,1|0,0,2]=4 686 B13R1.348 NC(=O)CC(=O)Cc1ccccn1 1458a_100134613110_100000721315 [0,0,1,0,0,1|0,0,2]=4 687 B13R1.351 C=C(Br)C(=O)NCc1ccccc1 11a_100015324214_100009813364 [0,0,1,0,0,1|2,0,0]=4 688 B13R1.351 C=C(Br)C(=O)NCc1ccccc1 1626a_100015324214_100009813364 [0,0,1,0,0,1|2,0,0]=4 689 B13R1.351 C=C(Br)C(=O)NCc1cccnc1 11a_100000210453_100009813364 [0,0,1,0,0,1|1,0,0]=3 690 B13R1.351 C=C(Br)C(=O)NCc1cccnn1 11a_100159270163_100009813364 [0,0,1,0,0,1|2,0,0]=4 691 B13R1.351 C=C(Br)C(=O)NCc1cnccn1 11a_100000737960_100009813364 [0,0,1,0,0,1|2,0,0]=4 692 B13R1.351 C=C(Br)C(=O)NCc1cncnc1 11a_100011243677_100009813364 [0,0,1,0,0,1|2,0,0]=4 693 B13R1.351 C=C(C)C(=NNc1cccnc1)C 4a_100000728903_100011216138 [0,0,1,0,0,1|2,0,0]=4 694 B13R1.351 C=C(C)C(=O)CCc1cccnc1 1458a_100000185857_200011713674 [0,0,1,0,0,1|2,0,0]=4 695 B13R1.351 C=C(C)C(=O)NCc1ccccc1 11a_100015324214_100000185857 [0,0,1,0,0,1|2,0,0]=4 696 B13R1.351 C=C(C)C(=O)NCc1ccccc1 1626a_100015324214_100000185857 [0,0,1,0,0,1|2,0,0]=4 697 B13R1.351 C=C(C)C(=O)NCc1cccnc1 11a_100000210453_100000185857 [0,0,1,0,0,1|1,0,0]=3 698 B13R1.351 C=C(C)C(=O)NCc1cccnn1 11a_100159270163_100000185857 [0,0,1,0,0,1|2,0,0]=4 699 B13R1.351 C=C(C)C(=O)NCc1cnccn1 11a_100000737960_100000185857 [0,0,1,0,0,1|2,0,0]=4 700 B13R1.351 C=C(C)C(=O)NCc1cncnc1 11a_100011243677_100000185857 [0,0,1,0,0,1|2,0,0]=4 701 B13R1.351 C=C(C)C(=O)NNc1ccccc1 22a_100015195140_100000185857 [0,0,1,0,0,1|2,0,0]=4 702 B13R1.351 C=C(C)C(=O)NNc1cccnc1 22a_100000728903_100000185857 [0,0,1,0,0,1|1,0,0]=3 703 B13R1.351 C=C(C)C(=O)NNc1cccnn1 22a_100000757824_100000185857 [0,0,1,0,0,1|2,0,0]=4 704 B13R1.351 C=C(C)C(=O)NNc1cnccn1 22a_100000736894_100000185857 [0,0,1,0,0,1|2,0,0]=4 705 B13R1.351 C=C(Cl)C(=O)NCc1ccccc1 11a_100015324214_100000039160 [0,0,1,0,0,1|2,0,0]=4 706 B13R1.351 C=C(Cl)C(=O)NCc1ccccc1 1626a_100015324214_100000039160 [0,0,1,0,0,1|2,0,0]=4 707 B13R1.351 C=C(Cl)C(=O)NCc1cccnc1 11a_100000210453_100000039160 [0,0,1,0,0,1|1,0,0]=3 708 B13R1.351 C=C(Cl)C(=O)NCc1cccnn1 11a_100159270163_100000039160 [0,0,1,0,0,1|2,0,0]=4 709 B13R1.351 C=C(Cl)C(=O)NCc1cnccn1 11a_100000737960_100000039160 [0,0,1,0,0,1|2,0,0]=4 710 B13R1.351 C=C(Cl)C(=O)NCc1cncnc1 11a_100011243677_100000039160 [0,0,1,0,0,1|2,0,0]=4 711 B13R1.351 C=C(Cl)C(=O)NNc1ccccc1 22a_100015195140_100000039160 [0,0,1,0,0,1|2,0,0]=4 712 B13R1.351 C=C(Cl)C(=O)NNc1cccnc1 22a_100000728903_100000039160 [0,0,1,0,0,1|1,0,0]=3 713 B13R1.351 C=C(Cl)C(=O)NNc1cccnn1 22a_100000757824_100000039160 [0,0,1,0,0,1|2,0,0]=4 714 B13R1.351 C=C(Cl)C(=O)NNc1cnccn1 22a_100000736894_100000039160 [0,0,1,0,0,1|2,0,0]=4 715 B13R1.351 C=C(F)C(=O)NCc1ccccc1 11a_100015324214_100000036797 [0,0,1,0,0,1|2,0,0]=4 716 B13R1.351 C=C(F)C(=O)NCc1ccccc1 1626a_100015324214_100000036797 [0,0,1,0,0,1|2,0,0]=4 717 B13R1.351 C=C(F)C(=O)NCc1cccnc1 11a_100000210453_100000036797 [0,0,1,0,0,1|1,0,0]=3 718 B13R1.351 C=C(F)C(=O)NCc1cccnn1 11a_100159270163_100000036797 [0,0,1,0,0,1|2,0,0]=4 719 B13R1.351 C=C(F)C(=O)NCc1cnccn1 11a_100000737960_100000036797 [0,0,1,0,0,1|2,0,0]=4 720 B13R1.351 C=C(F)C(=O)NCc1cncnc1 11a_100011243677_100000036797 [0,0,1,0,0,1|2,0,0]=4 721 B13R1.351 C=C(F)C(=O)NNc1ccccc1 22a_100015195140_100000036797 [0,0,1,0,0,1|2,0,0]=4 722 B13R1.351 C=C(F)C(=O)NNc1cccnc1 22a_100000728903_100000036797 [0,0,1,0,0,1|1,0,0]=3 723 B13R1.351 C=C(F)C(=O)NNc1cccnn1 22a_100000757824_100000036797 [0,0,1,0,0,1|2,0,0]=4 724 B13R1.351 C=C(F)C(=O)NNc1cnccn1 22a_100000736894_100000036797 [0,0,1,0,0,1|2,0,0]=4 725 B13R1.351 C[C@@H](O)C(=O)NCc1cccnc1 240690a_100000210453_100000717761 [0,0,1,0,0,1|0,0,2]=4 726 B13R1.351 C[C@@H](O)C(=O)NNc1cccnc1 22a_100000728903_100000717761 [0,0,1,0,0,1|0,0,2]=4 727 B13R1.351 C[C@H](O)C(=O)NCc1cccnc1 240690a_100000210453_217856618621 [0,0,1,0,0,1|0,0,2]=4 728 B13R1.351 C[C@H](O)C(=O)NNc1cccnc1 22a_100000728903_217856618621 [0,0,1,0,0,1|0,0,2]=4 729 B13R1.351 NC(=O)C(=O)NCc1ccccn1 240690a_100000210449_100011215815 [0,0,1,0,0,1|0,0,2]=4 730 B13R1.351 NC(=O)C(=O)NCc1cccnc1 240690a_100000210453_100011215815 [0,0,1,0,0,1|1,0,1]=4 731 B13R1.351 NC(=O)C(=O)NNc1ccccn1 22a_100000183288_100011215815 [0,0,1,0,0,1|1,0,1]=4 732 B13R1.351 NC(=O)C(=O)NNc1cccnc1 22a_100000728903_100011215815 [0,0,1,0,0,1|1,0,1]=4 733 B13R1.351 O=C(NCc1cccnc1)C(O)O 240690a_100000210453_100000233687 [0,0,1,0,0,1|1,0,1]=4 734 B13R1.351 O=C(NNc1cccnc1)C(O)O 22a_100000728903_100000233687 [0,0,1,0,0,1|1,0,1]=4 735 B13R1.528 C=CC(=O)NCc1cccnc1Br 240690a_100009818023_200121576911 [0,0,1,0,0,1|2,0,0]=4 736 B13R1.528 C=CC(=O)NCc1cccnc1Cl 1626a_100015189234_100000185746 [0,0,1,0,0,1|2,0,0]=4 737 B13R1.528 C=CC(=O)NCc1cccnc1Cl 240690a_100015189234_200121576911 [0,0,1,0,0,1|2,0,0]=4 738 B13R1.528 C=CC(=O)NCc1cccnc1F 1626a_100000724633_100000185746 [0,0,1,0,0,1|2,0,0]=4 739 B13R1.528 C=CC(=O)NCc1cccnc1F 240690a_100000724633_200121576911 [0,0,1,0,0,1|2,0,0]=4 740 B13R1.528 C=CC(=O)NNc1cccnc1C 22a_100000730703_100000185746 [0,0,1,0,0,1|1,0,1]=4 741 B13R1.528 Cc1ncccc1NNC(=O)CO 22a_100000730703_100000210174 [0,0,1,0,0,1|0,0,2]=4 742 B13R1.528 O=C(CO)NCc1cccnc1Br 240690a_100009818023_100000210174 [0,0,1,0,0,1|1,0,1]=4 743 B13R1.528 O=C(CO)NCc1cccnc1Br 527a_100009818023_100000210174 [0,0,1,0,0,1|1,0,1]=4 744 B13R1.528 O=C(CO)NCc1cccnc1Cl 240690a_100015189234_100000210174 [0,0,1,0,0,1|1,0,1]=4 745 B13R1.528 O=C(CO)NCc1cccnc1Cl 527a_100015189234_100000210174 [0,0,1,0,0,1|1,0,1]=4 746 B13R1.528 O=C(CO)NCc1cccnc1F 240690a_100000724633_100000210174 [0,0,1,0,0,1|1,0,1]=4 747 B13R1.528 O=C(CO)NCc1cccnc1F 527a_100000724633_100000210174 [0,0,1,0,0,1|1,0,1]=4