0 B13R2.369 Cc1cc2ccccc2nc1O 271570a_203496583355_100000751756 [0,0,0,0,0,0|2,0,2]=4 1 B13R2.369 Cc1cc2ncccc2cc1O 271570a_203496583355_100010137429 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.369 Cc1nc2ccccc2nc1O 271570a_203496583355_100000185947 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.369 Nc1cc2ccccc2cc1O 271570a_203496583355_100009991566 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.369 Nc1nc2ccccc2cc1O 271570a_203496583355_100010135404 [0,0,0,0,0,0|2,0,1]=3 5 B13R2.369 Nc1nc2ccccc2nc1O 271570a_203496583355_100000009970 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [0,0,0,0,0,0|2,0,0]=2 7 B13R2.369 Oc1cc2ccccc2cc1Br 271570a_203496583355_200010169544 [0,0,0,0,0,0|3,0,0]=3 8 B13R2.369 Oc1cc2ccccc2cc1Cl 271570a_203496583355_100010152806 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.369 Oc1cc2ccccc2cc1O 271570a_203496583355_100009817189 [0,0,0,0,0,0|2,0,1]=3 10 B13R2.369 Oc1cc2ccccc2nc1Cl 271570a_203496583355_100010220712 [0,0,0,0,0,0|2,0,1]=3 11 B13R2.369 Oc1cc2ccccc2nc1F 271570a_203496583355_100011158909 [0,0,0,0,0,0|2,0,1]=3 12 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200000100762 [0,0,0,0,0,0|1,0,2]=3 13 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200009820883 [0,0,0,0,0,0|1,0,2]=3 14 B13R2.369 Oc1cc2cccnc2cc1F 271570a_203496583355_100009854028 [0,0,0,0,0,0|4,0,0]=4 15 B13R2.369 Oc1cc2cccnc2cc1O 271570a_203496583355_200010153759 [0,0,0,0,0,0|3,0,1]=4 16 B13R2.369 Oc1cc2ccncc2cc1F 271570a_203496583355_100011105921 [0,0,0,0,0,0|2,0,1]=3 17 B13R2.369 Oc1cc2cnccc2cc1F 271570a_203496583355_100010244713 [0,0,0,0,0,0|2,0,0]=2 18 B13R2.369 Oc1nc2ccccc2cc1Br 271570a_203496583355_100010072790 [0,0,0,0,0,0|2,0,2]=4 19 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [1,0,0,0,0,0|2,0,0]=3 21 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [1,0,0,0,0,0|1,0,2]=4 22 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [1,0,0,0,0,0|1,0,0]=2 24 B12R2.24 Oc1ccc2ccncc2n1 271570a_203496583355_100000020162 [1,0,0,0,0,0|2,0,0]=3 25 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [1,0,0,0,0,0|1,0,1]=3 26 B12R2.24 Oc1ccc2cncnc2c1 271570a_203496583355_100010185614 [1,0,0,0,0,0|2,0,1]=4 27 B12R2.24 Oc1ccc2cnncc2c1 271570a_203496583355_100010198781 [1,0,0,0,0,0|2,0,0]=3 28 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.24 Oc1ccc2ncncc2c1 271570a_203496583355_100009989443 [1,0,0,0,0,0|2,0,0]=3 30 B12R2.24 Oc1ccc2nnccc2c1 271570a_203496583355_100010209549 [1,0,0,0,0,0|2,0,1]=4 31 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [1,0,0,0,0,0|1,0,1]=3 32 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [1,0,0,0,0,0|2,0,1]=4 33 B12R2.24 Oc1cnc2cccnc2c1 271570a_203496583355_100010246316 [1,0,0,0,0,0|2,0,1]=4 34 B14R2.1128 C=Cc1cc2ccccc2cc1O 271570a_100011290941_100009817189 [0,1,0,0,0,0|3,0,0]=4 35 B14R2.1128 C=Cc1cc2ccccc2oc1=O 271570a_100011290941_200000187772 [0,1,0,0,0,0|3,0,0]=4 36 B14R2.1128 C=Cc1cc2ccncc2cc1F 271570a_100011290941_100011105921 [0,1,0,0,0,0|3,0,0]=4 37 B14R2.1128 C=Cc1cc2cnccc2cc1F 271570a_100011290941_100010244713 [0,1,0,0,0,0|3,0,0]=4 38 B14R2.1128 C=Cc1nc2ccccc2cc1O 271570a_100011290941_200000100762 [0,1,0,0,0,0|2,0,1]=4 39 B14R2.1128 COc1cc2ccccc2cc1Br 34a_100009817189_200000210301 [0,1,0,0,0,0|3,0,0]=4 40 B14R2.1128 COc1cc2ccccc2cc1Br 7a_100009817189_200000210301 [0,1,0,0,0,0|3,0,0]=4 41 B14R2.1128 COc1cc2ccccc2cc1C 34a_100000091601_200000210301 [0,1,0,0,0,0|3,0,0]=4 42 B14R2.1128 COc1cc2ccccc2cc1C 7a_100000091601_200000210301 [0,1,0,0,0,0|3,0,0]=4 43 B14R2.1128 COc1cc2ccccc2cc1N 34a_106744474703_200000210301 [0,1,0,0,0,0|3,0,0]=4 44 B14R2.1128 COc1cc2ccccc2cc1N 7a_106744474703_200000210301 [0,1,0,0,0,0|3,0,0]=4 45 B14R2.1128 COc1cc2ccccc2cc1O 271570a_203496583355_100009817100 [0,1,0,0,0,0|2,0,1]=4 46 B14R2.1128 COc1cc2ccccc2nc1C 34a_200000079175_200000210301 [0,1,0,0,0,0|2,0,1]=4 47 B14R2.1128 COc1cc2ccccc2nc1C 7a_200000079175_200000210301 [0,1,0,0,0,0|2,0,1]=4 48 B14R2.1128 COc1cc2ccccc2nc1Cl 34a_200000100762_200000210301 [0,1,0,0,0,0|2,0,1]=4 49 B14R2.1128 COc1cc2ccccc2nc1Cl 7a_200000100762_200000210301 [0,1,0,0,0,0|2,0,1]=4 50 B14R2.1128 COc1cc2ccccc2oc1=O 7a_100000061252_200000210301 [0,1,0,0,0,0|2,0,0]=3 51 B14R2.1128 COc1cc2ccncc2cc1O 271570a_203496583355_100010990640 [0,1,0,0,0,0|1,0,1]=3 52 B14R2.1128 COc1nc2ccccc2cc1O 271570a_203496583355_100009820890 [0,1,0,0,0,0|1,0,2]=4 53 B14R2.1128 CSc1cc2ccccc2cc1O 62a_200000210301_100009817189 [0,1,0,0,0,0|2,1,0]=4 54 B14R2.1128 CSc1cc2ccccc2oc1=O 62a_200000210301_200000187772 [0,1,0,0,0,0|2,1,0]=4 55 B14R2.1128 CSc1cc2ccncc2cc1F 62a_100011105921_200000210301 [0,1,0,0,0,0|2,1,0]=4 56 B14R2.1128 CSc1cc2ccncc2cc1F 62a_200000210301_100011105921 [0,1,0,0,0,0|2,1,0]=4 57 B14R2.1128 CSc1cc2cnccc2cc1F 62a_100010244713_200000210301 [0,1,0,0,0,0|2,1,0]=4 58 B14R2.1128 CSc1cc2cnccc2cc1F 62a_200000210301_100010244713 [0,1,0,0,0,0|2,1,0]=4 59 B14R2.1128 CSc1nc2ccccc2cc1O 62a_200000210301_200000100762 [0,1,0,0,0,0|1,1,1]=4 60 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 34a_100000091601_200025704644 [0,1,0,0,0,0|3,0,0]=4 61 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 7a_100000091601_200025704644 [0,1,0,0,0,0|3,0,0]=4 62 B14R2.1128 Cc1nc2ccccc2cc1O[13CH3] 34a_200000079175_200025704644 [0,1,0,0,0,0|2,0,1]=4 63 B14R2.1128 Cc1nc2ccccc2cc1O[13CH3] 7a_200000079175_200025704644 [0,1,0,0,0,0|2,0,1]=4 64 B14R2.1128 O=Cc1cc2ccccc2nc1O 271570a_203496583355_100000183649 [0,1,0,0,0,0|3,0,0]=4 65 B14R2.1128 OCc1cc2ccccc2nc1O 271570a_203496583355_100000754719 [0,1,0,0,0,0|1,0,2]=4 66 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 34a_100009817189_200025704644 [0,1,0,0,0,0|3,0,0]=4 67 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 7a_100009817189_200025704644 [0,1,0,0,0,0|3,0,0]=4 68 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 34a_106744474703_200025704644 [0,1,0,0,0,0|3,0,0]=4 69 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 7a_106744474703_200025704644 [0,1,0,0,0,0|3,0,0]=4 70 B14R2.1128 [13CH3]Oc1cc2ccccc2nc1Cl 34a_200000100762_200025704644 [0,1,0,0,0,0|2,0,1]=4 71 B14R2.1128 [13CH3]Oc1cc2ccccc2nc1Cl 7a_200000100762_200025704644 [0,1,0,0,0,0|2,0,1]=4 72 B14R2.1128 [13CH3]Oc1cc2ccccc2oc1=O 7a_100000061252_200025704644 [0,1,0,0,0,0|2,0,0]=3 73 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1O 62a_200025704644_100009817189 [0,1,0,0,0,0|2,1,0]=4 74 B14R2.1128 [13CH3]Sc1cc2ccccc2oc1=O 62a_200025704644_200000187772 [0,1,0,0,0,0|2,1,0]=4 75 B14R2.1128 [13CH3]Sc1cc2ccncc2cc1F 62a_100011105921_200025704644 [0,1,0,0,0,0|2,1,0]=4 76 B14R2.1128 [13CH3]Sc1cc2ccncc2cc1F 62a_200025704644_100011105921 [0,1,0,0,0,0|2,1,0]=4 77 B14R2.1128 [13CH3]Sc1cc2cnccc2cc1F 62a_100010244713_200025704644 [0,1,0,0,0,0|2,1,0]=4 78 B14R2.1128 [13CH3]Sc1cc2cnccc2cc1F 62a_200025704644_100010244713 [0,1,0,0,0,0|2,1,0]=4 79 B14R2.1128 [13CH3]Sc1nc2ccccc2cc1O 62a_200025704644_200000100762 [0,1,0,0,0,0|1,1,1]=4 80 B14R2.8188 Cc1c(c(nc2c1cccc2)O)O 271570a_203496583355_100009820873 [0,1,0,0,0,0|1,0,2]=4 81 B14R2.8239 O=c1[nH]c2ccc(cc2[nH]c1=O)O 271570a_203496583355_100011221361 [0,1,0,0,0,0|2,0,1]=4 82 B14R2.8239 Oc1ccc2cc(c(cc2c1)O)O 271570a_203496583355_100010179872 [0,1,0,0,0,0|2,0,1]=4 83 B14R2.28472 Oc1cc2c(ncnc2cc1F)O 271570a_203496583355_100000699150 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,0,1,0,0,0|3,0,0]=4 85 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 11a_100000106764_100009813364 [0,0,1,0,0,0|2,0,0]=3 86 B12R1.43 C=C(Br)C(=O)Nc1ccccc1 1626a_100000106764_100009813364 [0,0,1,0,0,0|2,0,0]=3 87 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,0,1,0,0,0|3,0,0]=4 88 B12R1.43 C=C(C)C(=O)Cc1ccncc1 1458a_100000185857_100000705612 [0,0,1,0,0,0|2,0,0]=3 89 B12R1.43 C=C(C)C(=O)Nc1ccccc1 11a_100000106764_100000185857 [0,0,1,0,0,0|2,0,0]=3 90 B12R1.43 C=C(C)C(=O)Nc1ccccc1 1626a_100000106764_100000185857 [0,0,1,0,0,0|2,0,0]=3 91 B12R1.43 C=C(C)C(=O)Nc1ccccc1 22a_100000106764_100000185857 [0,0,1,0,0,0|2,0,0]=3 92 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 11a_100000106764_100000039160 [0,0,1,0,0,0|2,0,0]=3 93 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 1626a_100000106764_100000039160 [0,0,1,0,0,0|2,0,0]=3 94 B12R1.43 C=C(Cl)C(=O)Nc1ccccc1 22a_100000106764_100000039160 [0,0,1,0,0,0|2,0,0]=3 95 B12R1.43 C=C(F)C(=O)Nc1ccccc1 11a_100000106764_100000036797 [0,0,1,0,0,0|2,0,0]=3 96 B12R1.43 C=C(F)C(=O)Nc1ccccc1 1626a_100000106764_100000036797 [0,0,1,0,0,0|2,0,0]=3 97 B12R1.43 C=C(F)C(=O)Nc1ccccc1 22a_100000106764_100000036797 [0,0,1,0,0,0|2,0,0]=3 98 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,0,1,0,0,0|3,0,0]=4 99 B12R1.43 CC(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200000210301 [0,0,1,0,0,0|3,0,0]=4 100 B12R1.43 CC(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200000210301 [0,0,1,0,0,0|3,0,0]=4 101 B12R1.43 CC(=O)C(=Cc1cccnc1)F 1458a_100000731744_200000210301 [0,0,1,0,0,0|2,0,0]=3 102 B12R1.43 CC(=O)C(=O)Nc1ccccc1 1458a_100000738435_200000210301 [0,0,1,0,0,0|1,0,2]=4 103 B12R1.43 CC(Oc1cccnc1)C(=O)N 34a_100000210849_100000702099 [0,0,1,0,0,0|2,0,1]=4 104 B12R1.43 CC(Oc1cccnc1)C(=O)N 7a_100000210849_100000702099 [0,0,1,0,0,0|2,0,1]=4 105 B12R1.43 CC(Sc1cccnc1)C(=O)N 62a_100000210063_100000702099 [0,0,1,0,0,0|2,0,1]=4 106 B12R1.43 CC(Sc1cccnc1)C(=O)N 62a_100000702099_100000210063 [0,0,1,0,0,0|2,0,1]=4 107 B12R1.43 C[C@@H](O)C(=O)Cc1ccncc1 1458a_100000717761_100000705612 [0,0,1,0,0,0|1,0,2]=4 108 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,0,1,0,0,0|1,0,2]=4 109 B12R1.43 C[C@H](O)C(=O)Cc1ccncc1 1458a_217856618621_100000705612 [0,0,1,0,0,0|1,0,2]=4 110 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,0,1,0,0,0|1,0,2]=4 111 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,0,1,0,0,0|1,0,2]=4 112 B12R1.43 NC(=O)C(=O)Nc1ccccc1 22a_100000106764_100011215815 [0,0,1,0,0,0|2,0,1]=4 113 B12R1.43 NC(=O)C(F)Oc1cccnc1 34a_100000210849_100009813875 [0,0,1,0,0,0|2,0,1]=4 114 B12R1.43 NC(=O)C(F)Oc1cccnc1 7a_100000210849_100009813875 [0,0,1,0,0,0|2,0,1]=4 115 B12R1.43 NC(=O)C(F)Sc1cccnc1 62a_100000210063_100009813875 [0,0,1,0,0,0|2,0,1]=4 116 B12R1.43 NC(=O)C(F)Sc1cccnc1 62a_100009813875_100000210063 [0,0,1,0,0,0|2,0,1]=4 117 B12R1.43 O=C(Cc1ccncc1)C(O)O 1458a_100000233687_100000705612 [0,0,1,0,0,0|2,0,1]=4 118 B12R1.43 O=C(Nc1ccccc1)C(O)O 22a_100000106764_100000233687 [0,0,1,0,0,0|2,0,1]=4 119 B12R1.43 [13CH3]C(=O)/C(=C/c1ccccc1)/Cl 1458a_200020598536_200025704644 [0,0,1,0,0,0|3,0,0]=4 120 B12R1.43 [13CH3]C(=O)/C(=C\c1ccccc1)/F 1458a_100020889036_200025704644 [0,0,1,0,0,0|3,0,0]=4 121 B12R1.43 [13CH3]C(=O)C(=Cc1cccnc1)F 1458a_100000731744_200025704644 [0,0,1,0,0,0|2,0,0]=3 122 B12R1.43 [13CH3]C(=O)C(=O)Nc1ccccc1 1458a_100000738435_200025704644 [0,0,1,0,0,0|1,0,2]=4 123 B12R1.371 C=CC(=O)Cc1ccncc1C 1458a_100000185746_100020672808 [0,0,1,0,0,0|2,0,1]=4 124 B12R1.371 C=CC(=O)Cc1ccncc1Cl 1458a_100000185746_100000763264 [0,0,1,0,0,0|3,0,0]=4 125 B12R1.371 C=CC(=O)Nc1ccccc1Br 1626a_100000210017_100000185746 [0,0,1,0,0,0|3,0,0]=4 126 B12R1.371 C=CC(=O)Nc1ccccc1C 1626a_100015192222_100000185746 [0,0,1,0,0,0|2,0,1]=4 127 B12R1.371 C=CC(=O)Nc1ccccc1C 22a_100015192222_100000185746 [0,0,1,0,0,0|2,0,1]=4 128 B12R1.371 C=CC(=O)Nc1ccccc1Cl 1626a_100000185783_100000185746 [0,0,1,0,0,0|3,0,0]=4 129 B12R1.371 C=CC(=O)Nc1ccccc1Cl 22a_100000185783_100000185746 [0,0,1,0,0,0|3,0,0]=4 130 B12R1.371 C=CC(=O)Nc1ccccc1F 1626a_100000210422_100000185746 [0,0,1,0,0,0|3,0,0]=4 131 B12R1.371 C=CC(=O)Nc1ccccc1F 22a_100000210422_100000185746 [0,0,1,0,0,0|3,0,0]=4 132 B12R1.371 C=CC(=O)Nc1ccccc1I 1626a_100000210053_100000185746 [0,0,1,0,0,0|3,0,0]=4 133 B12R1.371 C=CC(=O)Nc1ccccc1O 22a_100000185747_100000185746 [0,0,1,0,0,0|3,0,0]=4 134 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,0,1,0,0,0|1,0,2]=4 135 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,0,1,0,0,0|1,0,2]=4 136 B12R1.371 Cc1cnccc1CC(=O)CO 1458a_100000210174_100020672808 [0,0,1,0,0,0|1,0,2]=4 137 B12R1.371 O=C(CO)Cc1ccncc1Cl 1458a_100000210174_100000763264 [0,0,1,0,0,0|2,0,1]=4 138 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,0,1,0,0,0|2,0,1]=4 139 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,0,1,0,0,0|2,0,1]=4 140 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,0,1,0,0,0|2,0,1]=4 141 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,0,1,0,0,0|2,0,1]=4 142 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,0,1,0,0,0|2,0,1]=4 143 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,0,1,0,0,0|2,0,1]=4 144 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)Br 62a_100000210623_100010125443 [0,0,1,0,0,0|3,0,0]=4 145 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)Br 62a_100010125443_100000210623 [0,0,1,0,0,0|3,0,0]=4 146 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)F 62a_100000210623_100000723523 [0,0,1,0,0,0|3,0,0]=4 147 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)F 62a_100000723523_100000210623 [0,0,1,0,0,0|3,0,0]=4 148 B12R1.385 C=CCSc1c[nH]c(=O)c(c1)O 62a_100000210623_100009814561 [0,0,1,0,0,0|2,0,0]=3 149 B12R1.385 O=CCSc1c[nH]c(=O)c(c1)O 62a_200015260668_100009814561 [0,0,1,0,0,0|3,0,0]=4 150 B12R1.448 C=Cc1cc(c(cc1C=O)O)C 271570a_100011290941_100010186689 [0,0,1,0,0,0|3,0,0]=4 151 B12R1.1123 C=C=Cc1cc(c(=O)[nH]c1C)N 271570a_100015277604_100010126670 [0,0,1,0,0,0|2,0,1]=4 152 B12R2.18 Cc1c(sc2c1cccc2)O 271570a_203496583355_200010198769 [0,0,0,0,1,0|3,0,0]=4 153 B12R2.18 Cc1oc2ccccc2c1O 271570a_203496583355_200010236113 [0,0,0,0,1,0|3,0,0]=4 154 B12R2.18 Cc1sc2ccccc2c1O 271570a_203496583355_100010002616 [0,0,0,0,1,0|3,0,0]=4 155 B12R2.100 Cc1cc2[nH]ccc2cc1O 271570a_203496583355_100010199648 [0,0,0,0,1,0|3,0,0]=4 156 B12R2.100 Cc1cc2[nH]ncc2cc1O 271570a_203496583355_100009816927 [0,0,0,0,1,0|3,0,0]=4 157 B12R2.100 Cc1cc2cc[nH]c2cc1O 271570a_203496583355_100010199660 [0,0,0,0,1,0|2,0,1]=4 158 B12R2.100 Cc1cc2ccsc2cc1O 271570a_203496583355_100010762285 [0,0,0,0,1,0|3,0,0]=4 159 B12R2.100 Cc1cc2cn[nH]c2cc1O 271570a_203496583355_100009816928 [0,0,0,0,1,0|3,0,0]=4 160 B12R2.100 Cc1nc2[nH]ccc2cc1O 271570a_203496583355_100010212563 [0,0,0,0,1,0|2,0,1]=4 161 B12R2.100 Cc1nc2[nH]cnc2cc1O 271570a_203496583355_100000689652 [0,0,0,0,1,0|2,0,1]=4 162 B12R2.100 Nc1cc2[nH]ccc2cc1O 271570a_203496583355_100010212544 [0,0,0,0,1,0|3,0,0]=4 163 B12R2.100 Nc1cc2[nH]cnc2cc1O 271570a_203496583355_200010336578 [0,0,0,0,1,0|3,0,0]=4 164 B12R2.100 Nc1cc2cn[nH]c2cc1O 271570a_203496583355_100011012411 [0,0,0,0,1,0|3,0,0]=4 165 B12R2.100 Nc1nc2[nH]ccc2cc1O 271570a_203496583355_100010168486 [0,0,0,0,1,0|2,0,1]=4 166 B12R2.100 Oc1cc2[nH]ccc2cc1Br 271570a_203496583355_100000703010 [0,0,0,0,1,0|2,0,1]=4 167 B12R2.100 Oc1cc2[nH]ccc2cc1F 271570a_203496583355_100009817181 [0,0,0,0,1,0|2,0,1]=4 168 B12R2.100 Oc1cc2[nH]ncc2cc1F 271570a_203496583355_100010131892 [0,0,0,0,1,0|3,0,0]=4 169 B12R2.100 Oc1cc2cc[nH]c2cc1F 271570a_203496583355_100000731065 [0,0,0,0,1,0|3,0,0]=4 170 B12R2.100 Oc1cc2cc[nH]c2nc1F 271570a_203496583355_100010202306 [0,0,0,0,1,0|2,0,1]=4 171 B12R2.100 Oc1cc2cn[nH]c2cc1Cl 271570a_203496583355_100102525311 [0,0,0,0,1,0|3,0,0]=4 172 B12R2.100 Oc1cc2cn[nH]c2cc1F 271570a_203496583355_100010143413 [0,0,0,0,1,0|3,0,0]=4 173 B12R2.100 Oc1cc2cn[nH]c2cc1O 271570a_203496583355_100010079831 [0,0,0,0,1,0|2,0,1]=4 174 B12R2.100 Oc1cc2cn[nH]c2cc1O 271570a_203496583355_100010080172 [0,0,0,0,1,0|2,0,1]=4 175 B12R2.100 Oc1cc2nc[nH]c2cc1F 271570a_203496583355_100012361300 [0,0,0,0,1,0|3,0,0]=4 176 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [1,0,1,0,0,0|2,0,0]=4 177 B11R1.40 C=CC(=O)Cc1ccncc1 1458a_100000185746_100000705612 [1,0,1,0,0,0|1,0,0]=3 178 B11R1.40 C=CC(=O)Nc1ccccc1 1626a_100000106764_100000185746 [1,0,1,0,0,0|1,0,0]=3 179 B11R1.40 C=CC(=O)Nc1ccccc1 22a_100000106764_100000185746 [1,0,1,0,0,0|1,0,0]=3 180 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [1,0,1,0,0,0|1,0,1]=4 181 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [1,0,1,0,0,0|1,0,1]=4 182 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [1,0,1,0,0,0|1,0,1]=4 183 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,1,0,0,0|2,0,0]=4 184 B11R1.91 CC(=O)C=Cc1cccnc1 1458a_100000735890_200000210301 [1,0,1,0,0,0|1,0,0]=3 185 B11R1.91 NC(=O)COc1cccnc1 34a_100000210849_100000187820 [1,0,1,0,0,0|1,0,1]=4 186 B11R1.91 NC(=O)COc1cccnc1 7a_100000210849_100000187820 [1,0,1,0,0,0|1,0,1]=4 187 B11R1.91 NC(=O)CSc1cccnc1 62a_100000210063_100000747473 [1,0,1,0,0,0|1,0,1]=4 188 B11R1.91 NC(=O)CSc1cccnc1 62a_100000747473_100000210063 [1,0,1,0,0,0|1,0,1]=4 189 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,1,0,0,0|2,0,0]=4 190 B11R1.91 [13CH3]C(=O)C=Cc1cccnc1 1458a_100000735890_200025704644 [1,0,1,0,0,0|1,0,0]=3 191 B11R1.41 C=C=Cc1cnccc1C=O 271570a_100015277604_100011934409 [1,0,1,0,0,0|1,0,1]=4 192 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [1,0,1,0,0,0|2,0,0]=4 193 B11R1.41 CC=Cc1cnccc1C=O 271570a_100016259895_100011934409 [1,0,1,0,0,0|1,0,0]=3 194 B11R1.41 CC=Cc1cnccc1NC 271570a_100016259895_100010069531 [1,0,1,0,0,0|1,0,1]=4 195 B11R1.41 CC=Cc1cnccc1NN 271570a_100016259895_100013404636 [1,0,1,0,0,0|2,0,0]=4 196 B11R1.17 Nc1ccncc1OCC=O 34a_100000753702_200009817547 [1,0,1,0,0,0|1,0,1]=4 197 B11R1.17 Nc1ccncc1SCC=O 62a_100000047001_200015260668 [1,0,1,0,0,0|1,0,1]=4 198 B11R1.17 Nc1ccncc1SCC=O 62a_200015260668_100000047001 [1,0,1,0,0,0|1,0,1]=4 199 B11R1.86 CC(=Cc1cnccc1N)C 271570a_100102525489_100000047001 [1,0,1,0,0,0|1,0,1]=4 200 B11R1.86 CC(=O)Nc1ccncc1O 271570a_203496583355_100016132053 [1,0,1,0,0,0|1,0,1]=4 201 B11R1.1 C=CCOc1ccc(=O)[nH]c1 34a_100000075641_100015514636 [1,0,1,0,0,0|2,0,0]=4 202 B11R1.1 C=CCSc1ccc(=O)[nH]c1 62a_100000210623_100000212171 [1,0,1,0,0,0|2,0,0]=4 203 B11R1.1 C=CCSc1ccc(=O)[nH]c1 62a_100000212171_100000210623 [1,0,1,0,0,0|2,0,0]=4 204 B11R1.192 C=C=Cc1c[nH]c(=O)c(c1)Br 271570a_100015277604_100010125443 [1,0,1,0,0,0|1,0,1]=4 205 B11R1.192 C=C=Cc1c[nH]c(=O)c(c1)F 271570a_100015277604_100000723523 [1,0,1,0,0,0|1,0,1]=4 206 B11R1.192 C=C=Cc1c[nH]c(=O)c(c1)O 271570a_100015277604_100009814561 [1,0,1,0,0,0|0,0,1]=3 207 B11R1.192 CC=Cc1c[nH]c(=O)c(c1)Br 271570a_100016259895_100010125443 [1,0,1,0,0,0|1,0,1]=4 208 B11R1.192 CC=Cc1c[nH]c(=O)c(c1)F 271570a_100016259895_100000723523 [1,0,1,0,0,0|1,0,1]=4 209 B11R1.192 CC=Cc1c[nH]c(=O)c(c1)O 271570a_100016259895_100009814561 [1,0,1,0,0,0|0,0,1]=3 210 B11R1.37 C=Cc1ccc(cc1C=O)O 271570a_100011290941_100000690577 [1,0,1,0,0,0|2,0,0]=4 211 B11R1.277 C=Cc1cc(c(=O)[nH]c1C)N 271570a_100011290941_100010126670 [1,0,1,0,0,0|1,0,1]=4 212 B11R1.81 C=C=Cc1ccc(=O)[nH]c1N 271570a_100015277604_100009884077 [1,0,1,0,0,0|2,0,0]=4 213 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100009813364 [0,1,1,0,0,0|2,0,0]=4 214 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100009813364 [0,1,1,0,0,0|2,0,0]=4 215 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)C 11a_100000124888_100009813364 [0,1,1,0,0,0|2,0,0]=4 216 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100009813364 [0,1,1,0,0,0|2,0,0]=4 217 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100009813364 [0,1,1,0,0,0|2,0,0]=4 218 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100009813364 [0,1,1,0,0,0|2,0,0]=4 219 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)F 11a_100000185862_100009813364 [0,1,1,0,0,0|2,0,0]=4 220 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100009813364 [0,1,1,0,0,0|2,0,0]=4 221 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)I 11a_100000185761_100009813364 [0,1,1,0,0,0|2,0,0]=4 222 B13R1.133 C=C(Br)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100009813364 [0,1,1,0,0,0|2,0,0]=4 223 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000185857 [0,1,1,0,0,0|2,0,0]=4 224 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000185857 [0,1,1,0,0,0|2,0,0]=4 225 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000185857 [0,1,1,0,0,0|2,0,0]=4 226 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000185857 [0,1,1,0,0,0|2,0,0]=4 227 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000185857 [0,1,1,0,0,0|2,0,0]=4 228 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)C 22a_100000124888_100000185857 [0,1,1,0,0,0|2,0,0]=4 229 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000185857 [0,1,1,0,0,0|2,0,0]=4 230 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000185857 [0,1,1,0,0,0|2,0,0]=4 231 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000185857 [0,1,1,0,0,0|2,0,0]=4 232 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000185857 [0,1,1,0,0,0|2,0,0]=4 233 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000185857 [0,1,1,0,0,0|2,0,0]=4 234 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000185857 [0,1,1,0,0,0|2,0,0]=4 235 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000185857 [0,1,1,0,0,0|2,0,0]=4 236 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000185857 [0,1,1,0,0,0|2,0,0]=4 237 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000185857 [0,1,1,0,0,0|2,0,0]=4 238 B13R1.133 C=C(C)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000185857 [0,1,1,0,0,0|2,0,0]=4 239 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000039160 [0,1,1,0,0,0|2,0,0]=4 240 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000039160 [0,1,1,0,0,0|2,0,0]=4 241 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000039160 [0,1,1,0,0,0|2,0,0]=4 242 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000039160 [0,1,1,0,0,0|2,0,0]=4 243 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000039160 [0,1,1,0,0,0|2,0,0]=4 244 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)C 22a_100000124888_100000039160 [0,1,1,0,0,0|2,0,0]=4 245 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000039160 [0,1,1,0,0,0|2,0,0]=4 246 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000039160 [0,1,1,0,0,0|2,0,0]=4 247 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000039160 [0,1,1,0,0,0|2,0,0]=4 248 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000039160 [0,1,1,0,0,0|2,0,0]=4 249 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000039160 [0,1,1,0,0,0|2,0,0]=4 250 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000039160 [0,1,1,0,0,0|2,0,0]=4 251 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000039160 [0,1,1,0,0,0|2,0,0]=4 252 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000039160 [0,1,1,0,0,0|2,0,0]=4 253 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000039160 [0,1,1,0,0,0|2,0,0]=4 254 B13R1.133 C=C(Cl)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000039160 [0,1,1,0,0,0|2,0,0]=4 255 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Br 11a_100000210018_100000036797 [0,1,1,0,0,0|2,0,0]=4 256 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Br 1626a_100000210018_100000036797 [0,1,1,0,0,0|2,0,0]=4 257 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Br 22a_100000210018_100000036797 [0,1,1,0,0,0|2,0,0]=4 258 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)C 11a_100000124888_100000036797 [0,1,1,0,0,0|2,0,0]=4 259 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)C 1626a_100000124888_100000036797 [0,1,1,0,0,0|2,0,0]=4 260 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)C 22a_100000124888_100000036797 [0,1,1,0,0,0|2,0,0]=4 261 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Cl 11a_100000210052_100000036797 [0,1,1,0,0,0|2,0,0]=4 262 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Cl 1626a_100000210052_100000036797 [0,1,1,0,0,0|2,0,0]=4 263 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)Cl 22a_100000210052_100000036797 [0,1,1,0,0,0|2,0,0]=4 264 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)F 11a_100000185862_100000036797 [0,1,1,0,0,0|2,0,0]=4 265 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)F 1626a_100000185862_100000036797 [0,1,1,0,0,0|2,0,0]=4 266 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)F 22a_100000185862_100000036797 [0,1,1,0,0,0|2,0,0]=4 267 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)I 11a_100000185761_100000036797 [0,1,1,0,0,0|2,0,0]=4 268 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)I 1626a_100000185761_100000036797 [0,1,1,0,0,0|2,0,0]=4 269 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)I 22a_100000185761_100000036797 [0,1,1,0,0,0|2,0,0]=4 270 B13R1.133 C=C(F)C(=O)Nc1ccc(cc1)O 22a_100000185829_100000036797 [0,1,1,0,0,0|2,0,0]=4 271 B13R1.135 C/C=C(\C)/C(=O)Cc1ccncc1 1458a_100020587367_100000705612 [0,1,1,0,0,0|2,0,0]=4 272 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 11a_100000106764_100020587367 [0,1,1,0,0,0|2,0,0]=4 273 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 1626a_100000106764_100020587367 [0,1,1,0,0,0|2,0,0]=4 274 B13R1.135 C/C=C(\C)/C(=O)Nc1ccccc1 22a_100000106764_100020587367 [0,1,1,0,0,0|2,0,0]=4 275 B13R1.135 C=C(CO)C(=O)Nc1ccccc1 22a_100000106764_200000705526 [0,1,1,0,0,0|1,0,0]=3 276 B13R1.135 CCC(=O)C(=Cc1cccnc1)F 1458a_100000731744_100000210202 [0,1,1,0,0,0|2,0,0]=4 277 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 11a_106832991635_100016990649 [0,1,1,0,0,0|2,0,0]=4 278 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 1626a_100102657272_100016990649 [0,1,1,0,0,0|2,0,0]=4 279 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/C 527a_100102657272_100016990649 [0,1,1,0,0,0|2,0,0]=4 280 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 11a_106832991635_200020598536 [0,1,1,0,0,0|2,0,0]=4 281 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 1626a_100102657272_200020598536 [0,1,1,0,0,0|2,0,0]=4 282 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 240690a_100102657272_200020598536 [0,1,1,0,0,0|2,0,0]=4 283 B13R1.135 CNC(=O)/C(=C/c1ccccc1)/Cl 527a_100102657272_200020598536 [0,1,1,0,0,0|2,0,0]=4 284 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 11a_106832991635_100020889036 [0,1,1,0,0,0|2,0,0]=4 285 B13R1.135 CNC(=O)/C(=C\c1ccccc1)/F 527a_100102657272_100020889036 [0,1,1,0,0,0|2,0,0]=4 286 B13R1.135 CNC(=O)C(=Cc1cccnc1)F 11a_106832991635_100000731744 [0,1,1,0,0,0|1,0,0]=3 287 B13R1.135 CNC(=O)C(=Cc1cccnc1)F 240690a_100102657272_100000731744 [0,1,1,0,0,0|1,0,0]=3 288 B13R1.135 CNC(=O)C(=Cc1cccnc1)F 527a_100102657272_100000731744 [0,1,1,0,0,0|1,0,0]=3 289 B13R1.135 CNC(=O)C(=O)Cc1cccnc1 1458a_100011218921_100000733263 [0,1,1,0,0,0|0,0,2]=4 290 B13R1.135 COC(=O)C(=O)Nc1ccccc1 11a_100000106764_100000024059 [0,1,1,0,0,0|2,0,0]=4 291 B13R1.135 COC(=O)C(=O)Nc1ccccc1 1626a_100000106764_100000024059 [0,1,1,0,0,0|2,0,0]=4 292 B13R1.135 COC(=O)C(=O)Nc1ccccc1 527a_100000106764_100000024059 [0,1,1,0,0,0|2,0,0]=4 293 B13R1.135 O=C(CF)C(=Cc1cccnc1)F 1458a_100000731744_100015361967 [0,1,1,0,0,0|2,0,0]=4 294 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Br 11a_100000210019_100009813364 [0,1,1,0,0,0|2,0,0]=4 295 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100009813364 [0,1,1,0,0,0|2,0,0]=4 296 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)C 11a_100000188690_100009813364 [0,1,1,0,0,0|2,0,0]=4 297 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)C 1626a_100000188690_100009813364 [0,1,1,0,0,0|2,0,0]=4 298 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100009813364 [0,1,1,0,0,0|2,0,0]=4 299 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100009813364 [0,1,1,0,0,0|2,0,0]=4 300 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)F 11a_100000210047_100009813364 [0,1,1,0,0,0|2,0,0]=4 301 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)F 1626a_100000210047_100009813364 [0,1,1,0,0,0|2,0,0]=4 302 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)I 11a_100000211102_100009813364 [0,1,1,0,0,0|2,0,0]=4 303 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)I 1626a_100000211102_100009813364 [0,1,1,0,0,0|2,0,0]=4 304 B13R1.148 C=C(Br)C(=O)Nc1cccc(c1)O 1626a_100000210217_100009813364 [0,1,1,0,0,0|2,0,0]=4 305 B13R1.148 C=C(C)C(=O)Cc1ccnc(c1)Br 1458a_100000185857_100010243470 [0,1,1,0,0,0|2,0,0]=4 306 B13R1.148 C=C(C)C(=O)Cc1ccnc(c1)C 1458a_100000185857_200020672517 [0,1,1,0,0,0|2,0,0]=4 307 B13R1.148 C=C(C)C(=O)Cc1ccnc(c1)Cl 1458a_100000185857_100000764220 [0,1,1,0,0,0|2,0,0]=4 308 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000185857 [0,1,1,0,0,0|2,0,0]=4 309 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000185857 [0,1,1,0,0,0|2,0,0]=4 310 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000185857 [0,1,1,0,0,0|2,0,0]=4 311 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 11a_100000188690_100000185857 [0,1,1,0,0,0|2,0,0]=4 312 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 1626a_100000188690_100000185857 [0,1,1,0,0,0|2,0,0]=4 313 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)C 22a_100000188690_100000185857 [0,1,1,0,0,0|2,0,0]=4 314 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000185857 [0,1,1,0,0,0|2,0,0]=4 315 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000185857 [0,1,1,0,0,0|2,0,0]=4 316 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000185857 [0,1,1,0,0,0|2,0,0]=4 317 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 11a_100000210047_100000185857 [0,1,1,0,0,0|2,0,0]=4 318 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000185857 [0,1,1,0,0,0|2,0,0]=4 319 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)F 22a_100000210047_100000185857 [0,1,1,0,0,0|2,0,0]=4 320 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I 11a_100000211102_100000185857 [0,1,1,0,0,0|2,0,0]=4 321 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000185857 [0,1,1,0,0,0|2,0,0]=4 322 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)I 22a_100000211102_100000185857 [0,1,1,0,0,0|2,0,0]=4 323 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000185857 [0,1,1,0,0,0|2,0,0]=4 324 B13R1.148 C=C(C)C(=O)Nc1cccc(c1)O 22a_100000210217_100000185857 [0,1,1,0,0,0|2,0,0]=4 325 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000039160 [0,1,1,0,0,0|2,0,0]=4 326 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000039160 [0,1,1,0,0,0|2,0,0]=4 327 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000039160 [0,1,1,0,0,0|2,0,0]=4 328 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)C 11a_100000188690_100000039160 [0,1,1,0,0,0|2,0,0]=4 329 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)C 1626a_100000188690_100000039160 [0,1,1,0,0,0|2,0,0]=4 330 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)C 22a_100000188690_100000039160 [0,1,1,0,0,0|2,0,0]=4 331 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000039160 [0,1,1,0,0,0|2,0,0]=4 332 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000039160 [0,1,1,0,0,0|2,0,0]=4 333 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000039160 [0,1,1,0,0,0|2,0,0]=4 334 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)F 11a_100000210047_100000039160 [0,1,1,0,0,0|2,0,0]=4 335 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000039160 [0,1,1,0,0,0|2,0,0]=4 336 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)F 22a_100000210047_100000039160 [0,1,1,0,0,0|2,0,0]=4 337 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)I 11a_100000211102_100000039160 [0,1,1,0,0,0|2,0,0]=4 338 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000039160 [0,1,1,0,0,0|2,0,0]=4 339 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)I 22a_100000211102_100000039160 [0,1,1,0,0,0|2,0,0]=4 340 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000039160 [0,1,1,0,0,0|2,0,0]=4 341 B13R1.148 C=C(Cl)C(=O)Nc1cccc(c1)O 22a_100000210217_100000039160 [0,1,1,0,0,0|2,0,0]=4 342 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Br 11a_100000210019_100000036797 [0,1,1,0,0,0|2,0,0]=4 343 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Br 1626a_100000210019_100000036797 [0,1,1,0,0,0|2,0,0]=4 344 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Br 22a_100000210019_100000036797 [0,1,1,0,0,0|2,0,0]=4 345 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)C 11a_100000188690_100000036797 [0,1,1,0,0,0|2,0,0]=4 346 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)C 1626a_100000188690_100000036797 [0,1,1,0,0,0|2,0,0]=4 347 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)C 22a_100000188690_100000036797 [0,1,1,0,0,0|2,0,0]=4 348 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Cl 11a_100000185859_100000036797 [0,1,1,0,0,0|2,0,0]=4 349 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Cl 1626a_100000185859_100000036797 [0,1,1,0,0,0|2,0,0]=4 350 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)Cl 22a_100000185859_100000036797 [0,1,1,0,0,0|2,0,0]=4 351 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)F 11a_100000210047_100000036797 [0,1,1,0,0,0|2,0,0]=4 352 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)F 1626a_100000210047_100000036797 [0,1,1,0,0,0|2,0,0]=4 353 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)F 22a_100000210047_100000036797 [0,1,1,0,0,0|2,0,0]=4 354 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)I 11a_100000211102_100000036797 [0,1,1,0,0,0|2,0,0]=4 355 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)I 1626a_100000211102_100000036797 [0,1,1,0,0,0|2,0,0]=4 356 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)I 22a_100000211102_100000036797 [0,1,1,0,0,0|2,0,0]=4 357 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)O 1626a_100000210217_100000036797 [0,1,1,0,0,0|2,0,0]=4 358 B13R1.148 C=C(F)C(=O)Nc1cccc(c1)O 22a_100000210217_100000036797 [0,1,1,0,0,0|2,0,0]=4 359 B13R1.152 C=C(Br)C(=O)N(C)c1ccccc1 11a_100000210012_100009813364 [0,1,1,0,0,0|2,0,0]=4 360 B13R1.152 C=C(Br)C(=O)N(C)c1ccccc1 1626a_100000210012_100009813364 [0,1,1,0,0,0|2,0,0]=4 361 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 11a_100000210012_100000185857 [0,1,1,0,0,0|2,0,0]=4 362 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 1626a_100000210012_100000185857 [0,1,1,0,0,0|2,0,0]=4 363 B13R1.152 C=C(C)C(=O)N(C)c1ccccc1 22a_100000210012_100000185857 [0,1,1,0,0,0|2,0,0]=4 364 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 11a_100000210012_100000039160 [0,1,1,0,0,0|2,0,0]=4 365 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 1626a_100000210012_100000039160 [0,1,1,0,0,0|2,0,0]=4 366 B13R1.152 C=C(Cl)C(=O)N(C)c1ccccc1 22a_100000210012_100000039160 [0,1,1,0,0,0|2,0,0]=4 367 B13R1.152 C=C(F)C(=O)N(C)c1ccccc1 11a_100000210012_100000036797 [0,1,1,0,0,0|2,0,0]=4 368 B13R1.152 C=C(F)C(=O)N(C)c1ccccc1 1626a_100000210012_100000036797 [0,1,1,0,0,0|2,0,0]=4 369 B13R1.152 C=C(F)C(=O)N(C)c1ccccc1 22a_100000210012_100000036797 [0,1,1,0,0,0|2,0,0]=4 370 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Br 11a_100000210017_100009813364 [0,1,1,0,0,0|2,0,0]=4 371 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Br 1626a_100000210017_100009813364 [0,1,1,0,0,0|2,0,0]=4 372 B13R1.202 C=C(Br)C(=O)Nc1ccccc1C 11a_100015192222_100009813364 [0,1,1,0,0,0|2,0,0]=4 373 B13R1.202 C=C(Br)C(=O)Nc1ccccc1C 1626a_100015192222_100009813364 [0,1,1,0,0,0|2,0,0]=4 374 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Cl 11a_100000185783_100009813364 [0,1,1,0,0,0|2,0,0]=4 375 B13R1.202 C=C(Br)C(=O)Nc1ccccc1Cl 1626a_100000185783_100009813364 [0,1,1,0,0,0|2,0,0]=4 376 B13R1.202 C=C(Br)C(=O)Nc1ccccc1F 11a_100000210422_100009813364 [0,1,1,0,0,0|2,0,0]=4 377 B13R1.202 C=C(Br)C(=O)Nc1ccccc1F 1626a_100000210422_100009813364 [0,1,1,0,0,0|2,0,0]=4 378 B13R1.202 C=C(Br)C(=O)Nc1ccccc1I 11a_100000210053_100009813364 [0,1,1,0,0,0|2,0,0]=4 379 B13R1.202 C=C(Br)C(=O)Nc1ccccc1I 1626a_100000210053_100009813364 [0,1,1,0,0,0|2,0,0]=4 380 B13R1.202 C=C(C)C(=O)Cc1ccncc1C 1458a_100000185857_100020672808 [0,1,1,0,0,0|2,0,0]=4 381 B13R1.202 C=C(C)C(=O)Cc1ccncc1Cl 1458a_100000185857_100000763264 [0,1,1,0,0,0|2,0,0]=4 382 B13R1.202 C=C(C)C(=O)Nc1ccccc1Br 11a_100000210017_100000185857 [0,1,1,0,0,0|2,0,0]=4 383 B13R1.202 C=C(C)C(=O)Nc1ccccc1Br 1626a_100000210017_100000185857 [0,1,1,0,0,0|2,0,0]=4 384 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 11a_100015192222_100000185857 [0,1,1,0,0,0|2,0,0]=4 385 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 1626a_100015192222_100000185857 [0,1,1,0,0,0|2,0,0]=4 386 B13R1.202 C=C(C)C(=O)Nc1ccccc1C 22a_100015192222_100000185857 [0,1,1,0,0,0|2,0,0]=4 387 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 11a_100000185783_100000185857 [0,1,1,0,0,0|2,0,0]=4 388 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000185857 [0,1,1,0,0,0|2,0,0]=4 389 B13R1.202 C=C(C)C(=O)Nc1ccccc1Cl 22a_100000185783_100000185857 [0,1,1,0,0,0|2,0,0]=4 390 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 11a_100000210422_100000185857 [0,1,1,0,0,0|2,0,0]=4 391 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 1626a_100000210422_100000185857 [0,1,1,0,0,0|2,0,0]=4 392 B13R1.202 C=C(C)C(=O)Nc1ccccc1F 22a_100000210422_100000185857 [0,1,1,0,0,0|2,0,0]=4 393 B13R1.202 C=C(C)C(=O)Nc1ccccc1I 11a_100000210053_100000185857 [0,1,1,0,0,0|2,0,0]=4 394 B13R1.202 C=C(C)C(=O)Nc1ccccc1I 1626a_100000210053_100000185857 [0,1,1,0,0,0|2,0,0]=4 395 B13R1.202 C=C(C)C(=O)Nc1ccccc1O 22a_100000185747_100000185857 [0,1,1,0,0,0|2,0,0]=4 396 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Br 11a_100000210017_100000039160 [0,1,1,0,0,0|2,0,0]=4 397 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Br 1626a_100000210017_100000039160 [0,1,1,0,0,0|2,0,0]=4 398 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C 11a_100015192222_100000039160 [0,1,1,0,0,0|2,0,0]=4 399 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C 1626a_100015192222_100000039160 [0,1,1,0,0,0|2,0,0]=4 400 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1C 22a_100015192222_100000039160 [0,1,1,0,0,0|2,0,0]=4 401 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Cl 11a_100000185783_100000039160 [0,1,1,0,0,0|2,0,0]=4 402 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000039160 [0,1,1,0,0,0|2,0,0]=4 403 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1Cl 22a_100000185783_100000039160 [0,1,1,0,0,0|2,0,0]=4 404 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1F 11a_100000210422_100000039160 [0,1,1,0,0,0|2,0,0]=4 405 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1F 1626a_100000210422_100000039160 [0,1,1,0,0,0|2,0,0]=4 406 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1F 22a_100000210422_100000039160 [0,1,1,0,0,0|2,0,0]=4 407 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1I 11a_100000210053_100000039160 [0,1,1,0,0,0|2,0,0]=4 408 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1I 1626a_100000210053_100000039160 [0,1,1,0,0,0|2,0,0]=4 409 B13R1.202 C=C(Cl)C(=O)Nc1ccccc1O 22a_100000185747_100000039160 [0,1,1,0,0,0|2,0,0]=4 410 B13R1.202 C=C(F)C(=O)Nc1ccccc1Br 11a_100000210017_100000036797 [0,1,1,0,0,0|2,0,0]=4 411 B13R1.202 C=C(F)C(=O)Nc1ccccc1Br 1626a_100000210017_100000036797 [0,1,1,0,0,0|2,0,0]=4 412 B13R1.202 C=C(F)C(=O)Nc1ccccc1C 11a_100015192222_100000036797 [0,1,1,0,0,0|2,0,0]=4 413 B13R1.202 C=C(F)C(=O)Nc1ccccc1C 1626a_100015192222_100000036797 [0,1,1,0,0,0|2,0,0]=4 414 B13R1.202 C=C(F)C(=O)Nc1ccccc1C 22a_100015192222_100000036797 [0,1,1,0,0,0|2,0,0]=4 415 B13R1.202 C=C(F)C(=O)Nc1ccccc1Cl 11a_100000185783_100000036797 [0,1,1,0,0,0|2,0,0]=4 416 B13R1.202 C=C(F)C(=O)Nc1ccccc1Cl 1626a_100000185783_100000036797 [0,1,1,0,0,0|2,0,0]=4 417 B13R1.202 C=C(F)C(=O)Nc1ccccc1Cl 22a_100000185783_100000036797 [0,1,1,0,0,0|2,0,0]=4 418 B13R1.202 C=C(F)C(=O)Nc1ccccc1F 11a_100000210422_100000036797 [0,1,1,0,0,0|2,0,0]=4 419 B13R1.202 C=C(F)C(=O)Nc1ccccc1F 1626a_100000210422_100000036797 [0,1,1,0,0,0|2,0,0]=4 420 B13R1.202 C=C(F)C(=O)Nc1ccccc1F 22a_100000210422_100000036797 [0,1,1,0,0,0|2,0,0]=4 421 B13R1.202 C=C(F)C(=O)Nc1ccccc1I 11a_100000210053_100000036797 [0,1,1,0,0,0|2,0,0]=4 422 B13R1.202 C=C(F)C(=O)Nc1ccccc1I 1626a_100000210053_100000036797 [0,1,1,0,0,0|2,0,0]=4 423 B13R1.202 C=C(F)C(=O)Nc1ccccc1O 22a_100000185747_100000036797 [0,1,1,0,0,0|2,0,0]=4 424 B13R1.380 C=C=Cc1cnccc1NC(=O)C 271570a_100015277604_100016132053 [0,1,1,0,0,0|1,0,1]=4 425 B13R1.380 CC=Cc1ccccc1NC(=O)C 271570a_100016259895_100000153524 [0,1,1,0,0,0|2,0,0]=4 426 B13R1.380 CC=Cc1ccccc1NC(=O)N 271570a_100016259895_100000742221 [0,1,1,0,0,0|2,0,0]=4 427 B13R1.380 CC=Cc1cnccc1NC(=O)C 271570a_100016259895_100016132053 [0,1,1,0,0,0|1,0,0]=3 428 B13R1.91 C=CC(=O)Nc1ccccc1C=C 1626a_100012022501_100000185746 [0,1,1,0,0,0|2,0,0]=4 429 B13R1.91 C=CC(=O)Nc1ccccc1C=C 22a_100012022501_100000185746 [0,1,1,0,0,0|2,0,0]=4 430 B13R1.91 C=Cc1ccccc1NC(=O)CO 22a_100012022501_100000210174 [0,1,1,0,0,0|1,0,1]=4 431 B13R1.511 C=C(C)CSc1c[nH]c(=O)c(c1)O 62a_100000748629_100009814561 [0,1,1,0,0,0|2,0,0]=4 432 B13R1.511 C=C(F)CSc1c[nH]c(=O)c(c1)O 62a_100000042424_100009814561 [0,1,1,0,0,0|2,0,0]=4 433 B13R1.575 C=CCSc1c[nH]c(=O)c(c1)OC 62a_100000210623_100010125397 [0,1,1,0,0,0|2,0,0]=4 434 B13R1.669 C/C=C/CSc1c[nH]c(=O)c(c1)O 62a_100102629194_100009814561 [0,1,1,0,0,0|2,0,0]=4 435 B13R1.669 C=CCCSc1c[nH]c(=O)c(c1)O 62a_100000754431_100009814561 [0,1,1,0,0,0|1,0,1]=4 436 B13R1.669 CC=CCSc1c[nH]c(=O)c(c1)O 62a_100000070051_100009814561 [0,1,1,0,0,0|2,0,0]=4 437 B13R1.2879 C=CC(C)Sc1c[nH]c(=O)c(c1)O 62a_100011215867_100009814561 [0,1,1,0,0,0|2,0,0]=4 438 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [1,1,0,0,0,0|2,0,0]=4 439 B13R2.32 Cc1ccc2cnccc2c1O 271570a_203496583355_100010204589 [1,1,0,0,0,0|2,0,0]=4 440 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [1,1,0,0,0,0|2,0,0]=4 441 B13R2.32 Nc1c(ccc2c1ccnc2)O 271570a_203496583355_100010191621 [1,1,0,0,0,0|1,0,1]=4 442 B13R2.32 Nc1c(cnc2c1cccc2)O 271570a_203496583355_100009995562 [1,1,0,0,0,0|1,0,1]=4 443 B13R2.32 Nc1ccc2cnccc2c1O 271570a_203496583355_100010245214 [1,1,0,0,0,0|2,0,0]=4 444 B13R2.32 O=c1c(c[nH]c2c1cccc2)O 271570a_203496583355_100012339567 [1,1,0,0,0,0|1,0,0]=3 445 B13R2.32 O=c1c(coc2c1cccc2)O 271570a_203496583355_100009813851 [1,1,0,0,0,0|2,0,0]=4 446 B13R2.32 Oc1c(ccc2c1ccnc2)F 271570a_203496583355_100010272212 [1,1,0,0,0,0|2,0,0]=4 447 B13R2.32 Oc1c(ccc2c1cncc2)F 271570a_203496583355_200015767032 [1,1,0,0,0,0|2,0,0]=4 448 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [1,1,0,0,0,0|2,0,0]=4 449 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [1,1,0,0,0,0|2,0,0]=4 450 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [1,1,0,0,0,0|2,0,0]=4 451 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [1,1,0,0,0,0|2,0,0]=4 452 B13R2.32 Oc1ccc2ccncc2c1O 271570a_203496583355_200010115057 [1,1,0,0,0,0|1,0,0]=3 453 B13R2.32 Oc1cnc2ccccc2c1Cl 271570a_203496583355_100012352519 [1,1,0,0,0,0|1,0,1]=4 454 B13R2.57 C=Cc1ccc2ccncc2c1 271570a_100011290941_100000686496 [1,1,0,0,0,0|2,0,0]=4 455 B13R2.57 C=Cc1ccc2cnccc2c1 271570a_100011290941_100009816743 [1,1,0,0,0,0|2,0,0]=4 456 B13R2.57 CNc1ccc2cnccc2c1 34a_100000039641_200000210301 [1,1,0,0,0,0|2,0,0]=4 457 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [1,1,0,0,0,0|2,0,0]=4 458 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [1,1,0,0,0,0|2,0,0]=4 459 B13R2.57 COc1ccc2ccncc2c1 7a_100000752006_200000210301 [1,1,0,0,0,0|1,0,0]=3 460 B13R2.57 COc1ccc2cnccc2c1 34a_100000046372_200000210301 [1,1,0,0,0,0|1,0,1]=4 461 B13R2.57 COc1ccc2cnccc2c1 7a_100000046372_200000210301 [1,1,0,0,0,0|1,0,1]=4 462 B13R2.57 COc1cnc2ccccc2c1 34a_100011934006_200000210301 [1,1,0,0,0,0|1,0,1]=4 463 B13R2.57 COc1cnc2ccccc2c1 7a_100011934006_200000210301 [1,1,0,0,0,0|1,0,1]=4 464 B13R2.57 CSc1ccc2ccncc2c1 62a_100000686496_200000210301 [1,1,0,0,0,0|1,1,0]=4 465 B13R2.57 CSc1ccc2ccncc2c1 62a_200000210301_100000686496 [1,1,0,0,0,0|1,1,0]=4 466 B13R2.57 CSc1ccc2cnccc2c1 62a_100009816743_200000210301 [1,1,0,0,0,0|1,1,0]=4 467 B13R2.57 CSc1ccc2cnccc2c1 62a_200000210301_100009816743 [1,1,0,0,0,0|1,1,0]=4 468 B13R2.57 [13CH3]Nc1ccc2cnccc2c1 34a_100000039641_200025704644 [1,1,0,0,0,0|2,0,0]=4 469 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [1,1,0,0,0,0|2,0,0]=4 470 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [1,1,0,0,0,0|2,0,0]=4 471 B13R2.57 [13CH3]Oc1ccc2ccncc2c1 7a_100000752006_200025704644 [1,1,0,0,0,0|1,0,0]=3 472 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 34a_100000046372_200025704644 [1,1,0,0,0,0|1,0,1]=4 473 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 7a_100000046372_200025704644 [1,1,0,0,0,0|1,0,1]=4 474 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 34a_100011934006_200025704644 [1,1,0,0,0,0|1,0,1]=4 475 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 7a_100011934006_200025704644 [1,1,0,0,0,0|1,0,1]=4 476 B13R2.57 [13CH3]Sc1ccc2ccncc2c1 62a_100000686496_200025704644 [1,1,0,0,0,0|1,1,0]=4 477 B13R2.57 [13CH3]Sc1ccc2ccncc2c1 62a_200025704644_100000686496 [1,1,0,0,0,0|1,1,0]=4 478 B13R2.57 [13CH3]Sc1ccc2cnccc2c1 62a_100009816743_200025704644 [1,1,0,0,0,0|1,1,0]=4 479 B13R2.57 [13CH3]Sc1ccc2cnccc2c1 62a_200025704644_100009816743 [1,1,0,0,0,0|1,1,0]=4 480 B13R2.155 Cc1ccc2ncc(cc2c1)O 271570a_203496583355_100015841224 [1,1,0,0,0,0|1,0,1]=4 481 B13R2.155 Nc1cc2cc(ccc2cn1)O 271570a_203496583355_100009817123 [1,1,0,0,0,0|1,0,1]=4 482 B13R2.155 Nc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090036 [1,1,0,0,0,0|2,0,0]=4 483 B13R2.155 Nc1ccc2ncc(cc2c1)O 271570a_203496583355_100009888932 [1,1,0,0,0,0|1,0,1]=4 484 B13R2.155 O=c1ccc2ccc(cc2o1)O 271570a_203496583355_100009993525 [1,1,0,0,0,0|2,0,0]=4 485 B13R2.155 O=c1ccc2cnc(cc2[nH]1)O 271570a_203496583355_100010563892 [1,1,0,0,0,0|0,0,0]=2 486 B13R2.155 Oc1cc2cc(ccc2cn1)F 271570a_203496583355_100009828686 [1,1,0,0,0,0|2,0,0]=4 487 B13R2.155 Oc1ccc2ccc(cc2c1)O 271570a_203496583355_100009816537 [1,1,0,0,0,0|2,0,0]=4 488 B13R2.155 Oc1ccc2cnc(cc2c1)F 271570a_203496583355_100010291885 [1,1,0,0,0,0|1,0,1]=4 489 B13R2.155 Oc1ccc2cnc(cc2c1)O 271570a_203496583355_100009817130 [1,1,0,0,0,0|1,0,1]=4 490 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100000703654 [1,1,0,0,0,0|1,0,1]=4 491 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100010137430 [1,1,0,0,0,0|1,0,1]=4 492 B13R2.155 Oc1cnc2ccc(cc2c1)Br 271570a_203496583355_100010740133 [1,1,0,0,0,0|1,0,1]=4 493 B13R2.155 Oc1cnc2ccc(cc2c1)Cl 271570a_203496583355_100015929906 [1,1,0,0,0,0|1,0,1]=4 494 B13R2.155 [O-][n+]1ccc2ccc(cc2c1)O 271570a_203496583355_100009816120 [1,1,0,0,0,0|1,0,1]=4 495 B13R2.162 Cc1ccc2cncc(c2c1)O 271570a_203496583355_100009817139 [1,1,0,0,0,0|2,0,0]=4 496 B13R2.162 Cc1cccc2c1cc(cc2)O 271570a_203496583355_100010089936 [1,1,0,0,0,0|2,0,0]=4 497 B13R2.162 Cc1nccc2c1cc(cc2)O 271570a_203496583355_200010739692 [1,1,0,0,0,0|1,0,0]=3 498 B13R2.162 Cc1ncnc2c1cc(cc2)O 271570a_203496583355_100000700471 [1,1,0,0,0,0|2,0,0]=4 499 B13R2.162 Nc1cccc2c1cc(cc2)O 271570a_203496583355_100010090012 [1,1,0,0,0,0|2,0,0]=4 500 B13R2.162 Nc1cccc2c1cc(cn2)O 271570a_203496583355_100010264086 [1,1,0,0,0,0|1,0,1]=4 501 B13R2.162 Nc1nccc2c1cc(cc2)O 271570a_203496583355_100012352255 [1,1,0,0,0,0|1,0,0]=3 502 B13R2.162 Nc1ncnc2c1cc(cc2)O 271570a_203496583355_100011390335 [1,1,0,0,0,0|2,0,0]=4 503 B13R2.162 O=c1[nH]ccc2c1cc(cn2)O 271570a_203496583355_100010134370 [1,1,0,0,0,0|0,0,2]=4 504 B13R2.162 O=c1ccc2cccc(c2[nH]1)O 271570a_203496583355_100000688906 [1,1,0,0,0,0|1,0,0]=3 505 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010089991 [1,1,0,0,0,0|2,0,0]=4 506 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010169565 [1,1,0,0,0,0|2,0,0]=4 507 B13R2.162 Oc1ccc2ccnc(c2c1)O 271570a_203496583355_100000010956 [1,1,0,0,0,0|1,0,0]=3 508 B13R2.162 Oc1ccc2ccnc(c2c1)O 271570a_203496583355_200009844553 [1,1,0,0,0,0|1,0,0]=3 509 B13R2.162 Oc1ccc2cncc(c2c1)O 271570a_203496583355_100010136424 [1,1,0,0,0,0|1,0,1]=4 510 B13R2.162 Oc1ccc2cncc(c2n1)O 271570a_203496583355_100009812673 [1,1,0,0,0,0|0,0,2]=4 511 B13R2.162 Oc1ccc2ncnc(c2c1)Cl 271570a_203496583355_100000757566 [1,1,0,0,0,0|2,0,0]=4 512 B13R2.162 Oc1cnc2cccc(c2c1)O 271570a_203496583355_200010153752 [1,1,0,0,0,0|1,0,1]=4 513 B13R2.162 Oc1nccc2c1cc(cc2)F 271570a_203496583355_100010202866 [1,1,0,0,0,0|2,0,0]=4 514 B13R2.328 Nc1cc(cc2c1cccc2)O 271570a_203496583355_100010171453 [1,1,0,0,0,0|2,0,0]=4 515 B13R2.328 O=c1cc([nH]c2c1cccc2)O 271570a_203496583355_100000090176 [1,1,0,0,0,0|1,0,1]=4 516 B13R2.328 O=c1cc(c2ccccc2[nH]1)O 271570a_203496583355_100000075698 [1,1,0,0,0,0|1,0,0]=3 517 B13R2.328 O=c1cc(c2cccnc2[nH]1)O 271570a_203496583355_100010499609 [1,1,0,0,0,0|2,0,0]=4 518 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [1,1,0,0,0,0|2,0,0]=4 519 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [1,1,0,0,0,0|2,0,0]=4 520 B13R2.328 Oc1cc(c2cnccc2c1)F 271570a_203496583355_100011068762 [1,1,0,0,0,0|1,0,1]=4 521 B13R2.328 Oc1cc(c2cnccc2c1)O 271570a_203496583355_100011009069 [1,1,0,0,0,0|1,0,1]=4 522 B13R2.328 [O-][n+]1cc(cc2c1cccc2)O 271570a_203496583355_200010000521 [1,1,0,0,0,0|1,0,1]=4 523 B13R2.3683 Nc1cc2ccc(cc2cn1)O 271570a_203496583355_100010232990 [1,1,0,0,0,0|1,0,0]=3 524 B13R2.3683 Nc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185457 [1,1,0,0,0,0|2,0,0]=4 525 B13R2.3683 Nc1ccc2cc(cnc2c1)O 271570a_203496583355_200010264087 [1,1,0,0,0,0|1,0,1]=4 526 B13R2.3683 Nc1ncc2cc(ccc2n1)O 271570a_203496583355_100010138702 [1,1,0,0,0,0|2,0,0]=4 527 B13R2.3683 Nc1ncc2cc(cnc2n1)O 271570a_203496583355_200010063650 [1,1,0,0,0,0|1,0,1]=4 528 B13R2.3683 O=c1ccc2cc(ccc2[nH]1)O 271570a_203496583355_100011934725 [1,1,0,0,0,0|1,0,0]=3 529 B13R2.3683 O=c1ccc2cc(ccc2o1)O 271570a_203496583355_100009999946 [1,1,0,0,0,0|2,0,0]=4 530 B13R2.3683 O=c1cnc2cc(ccc2[nH]1)O 271570a_203496583355_100010209493 [1,1,0,0,0,0|2,0,0]=4 531 B13R2.3683 Oc1ccc2cc(ccc2c1)Br 271570a_203496583355_100012344972 [1,1,0,0,0,0|2,0,0]=4 532 B13R2.3683 Oc1ccc2cc(ccc2c1)F 271570a_203496583355_100009817052 [1,1,0,0,0,0|2,0,0]=4 533 B13R2.3683 Oc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185455 [1,1,0,0,0,0|2,0,0]=4 534 B13R2.3683 Oc1cnc2cc(ccc2c1)Cl 271570a_203496583355_100015716233 [1,1,0,0,0,0|1,0,1]=4 535 B13R2.3683 Oc1cnc2cc(ccc2c1)O 271570a_203496583355_200010153753 [1,1,0,0,0,0|1,0,1]=4 536 B13R2.5179 Cc1ccc2c(nccc2c1)O 271570a_203496583355_100000102439 [1,1,0,0,0,0|2,0,0]=4 537 B13R2.5179 Cc1cccc2c1ncc(c2)O 271570a_203496583355_100009829671 [1,1,0,0,0,0|1,0,1]=4 538 B13R2.5179 Nc1cccc2c1ccc(c2)O 271570a_203496583355_100010090037 [1,1,0,0,0,0|2,0,0]=4 539 B13R2.5179 Nc1cccc2c1ncc(c2)O 271570a_203496583355_100000702407 [1,1,0,0,0,0|1,0,1]=4 540 B13R2.5179 Nc1nccc2c1ccc(c2)O 271570a_203496583355_100000732483 [1,1,0,0,0,0|1,0,1]=4 541 B13R2.5179 O=C1COc2c(ccnc2O)N1 271570a_203496583355_100009863569 [1,1,0,0,0,0|1,0,1]=4 542 B13R2.5179 O=c1[nH]ncc2c1ncc(c2)O 271570a_203496583355_100010284064 [1,1,0,0,0,0|1,0,1]=4 543 B13R2.5179 O=c1ccc2c(cccc2[nH]1)O 271570a_203496583355_100000726145 [1,1,0,0,0,0|1,0,0]=3 544 B13R2.5179 Oc1ccc2c(cccc2c1)O 271570a_203496583355_100010202202 [1,1,0,0,0,0|2,0,0]=4 545 B13R2.5179 Oc1ccc2c(nccc2c1)O 271570a_203496583355_100000760485 [1,1,0,0,0,0|1,0,1]=4 546 B13R2.5179 Oc1ccc2c(nccc2c1)O 271570a_203496583355_100009867704 [1,1,0,0,0,0|1,0,1]=4 547 B13R2.5179 Oc1ccc2c(nncc2c1)O 271570a_203496583355_100000724280 [1,1,0,0,0,0|2,0,0]=4 548 B13R2.5179 Oc1cnc2c(cccc2c1)Br 271570a_203496583355_100010204298 [1,1,0,0,0,0|1,0,1]=4 549 B13R2.5179 Oc1cnc2c(cccc2c1)Cl 271570a_203496583355_100000759377 [1,1,0,0,0,0|1,0,1]=4 550 B13R2.5179 Oc1cnc2c(cccc2c1)F 271570a_203496583355_100000049890 [1,1,0,0,0,0|1,0,1]=4 551 B13R2.5179 Oc1nccc2c1ccc(c2)F 271570a_203496583355_100000097391 [1,1,0,0,0,0|2,0,0]=4 552 B13R2.45 O=Cc1sc2ccccc2c1O 271570a_203496583355_100009816528 [0,1,0,0,1,0|2,0,0]=4 553 B13R2.3028 O=C1Nc2ccc(cc2C1=O)O 271570a_203496583355_100000024671 [0,1,0,0,1,0|1,0,1]=4 554 B13R2.4825 O=C1Nc2c(cccc2C1=O)O 271570a_203496583355_100000183292 [0,1,0,0,1,0|1,0,1]=4 555 B13R2.4856 O=C1Nc2cccc(c2C1=O)O 271570a_203496583355_100000697038 [0,1,0,0,1,0|1,0,1]=4 556 B13R2.5190 O=C1Nc2cc(ccc2C1=O)O 271570a_203496583355_100000239657 [0,1,0,0,1,0|1,0,1]=4 557 B15R2.274 N#Cc1c(c2ccccc2[nH]c1=O)O 271570a_203496583355_100000040898 [0,2,0,0,0,0|2,0,0]=4 558 B15R2.888 CCOc1cc2ccccc2oc1=O 7a_100000061252_100000210202 [0,2,0,0,0,0|2,0,0]=4 559 B15R2.888 O=c1oc2ccccc2cc1OCF 7a_100000061252_100015361967 [0,2,0,0,0,0|2,0,0]=4 560 B15R2.984 CC(=O)c1cc2ccccc2cc1O 1458a_100000212107_200000210301 [0,2,0,0,0,0|2,0,0]=4 561 B15R2.984 [13CH3]C(=O)c1cc2ccccc2cc1O 1458a_100000212107_200025704644 [0,2,0,0,0,0|2,0,0]=4 562 B15R2.9032 Cc1c(c(=O)n(c2c1cccc2)C)O 271570a_203496583355_100010739255 [0,2,0,0,0,0|1,0,0]=3 563 B15R2.63893 Cc1c(c(=O)oc2c1ccc(c2)O)O 271570a_203496583355_200009996780 [0,2,0,0,0,0|2,0,0]=4 564 B15R2.21336 CSc1ncc2cc(c(=O)[nH]c2n1)O 271570a_203496583355_100010296458 [0,2,0,0,0,0|1,0,0]=3 565 B13R2.292 CC=Cc1cncc2c1[nH]cc2 271570a_100016259895_100000217057 [0,0,1,1,0,0|2,0,0]=4 566 B13R2.292 CC=Cc1cncc2c1[nH]cn2 271570a_100016259895_100000759552 [0,0,1,1,0,0|2,0,0]=4 567 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [1,0,0,0,1,0|2,0,0]=4 568 B11R2.1 Oc1c[nH]c2c1ccnc2 271570a_203496583355_100010232032 [1,0,0,0,1,0|1,0,1]=4 569 B11R2.1 Oc1c[nH]c2c1cncc2 271570a_203496583355_100011934843 [1,0,0,0,1,0|0,0,0]=2 570 B11R2.1 Oc1c[nH]c2c1cncn2 271570a_203496583355_100009817560 [1,0,0,0,1,0|1,0,0]=3 571 B11R2.1 Oc1c[nH]c2c1nccc2 271570a_203496583355_100009817151 [1,0,0,0,1,0|2,0,0]=4 572 B11R2.1 Oc1cnn2c1cncc2 271570a_203496583355_100010892148 [1,0,0,0,1,0|1,0,1]=4 573 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,0,1,0|2,0,0]=4 574 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,0,1,0|2,0,0]=4 575 B11R2.1 Oc1csc2c1ccnc2 271570a_203496583355_100009817111 [1,0,0,0,1,0|1,0,1]=4 576 B11R2.1 Oc1csc2c1cncc2 271570a_203496583355_100010247091 [1,0,0,0,1,0|1,0,0]=3 577 B11R2.1 Oc1n[nH]c2c1cccc2 271570a_203496583355_100000050141 [1,0,0,0,1,0|2,0,0]=4 578 B11R2.1 Oc1n[nH]c2c1cncc2 271570a_203496583355_100010724670 [1,0,0,0,1,0|1,0,0]=3 579 B11R2.1 Oc1n[nH]c2c1cncn2 271570a_203496583355_100009875510 [1,0,0,0,1,0|2,0,0]=4 580 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,0,1,0|1,0,0]=3 581 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,0,1,0|2,0,0]=4 582 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,0,1,0|2,0,0]=4 583 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [1,0,0,0,1,0|2,0,0]=4 584 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [1,0,0,0,1,0|2,0,0]=4 585 B11R2.36 Oc1ccc2[nH]ccc2c1 271570a_203496583355_100000211741 [1,0,0,0,1,0|2,0,0]=4 586 B11R2.36 Oc1ccc2[nH]cnc2c1 271570a_203496583355_100011265325 [1,0,0,0,1,0|2,0,0]=4 587 B11R2.36 Oc1ccc2[nH]ncc2c1 271570a_203496583355_100000049815 [1,0,0,0,1,0|2,0,0]=4 588 B11R2.36 Oc1ccc2c(c1)C=CC2 271570a_203496583355_100009814306 [1,0,0,0,1,0|1,0,1]=4 589 B11R2.36 Oc1ccc2c(c1)CC=C2 271570a_203496583355_200009818231 [1,0,0,0,1,0|1,0,1]=4 590 B11R2.36 Oc1ccc2cc[nH]c2c1 271570a_203496583355_100000743809 [1,0,0,0,1,0|1,0,1]=4 591 B11R2.36 Oc1ccc2ccnn2c1 271570a_203496583355_100009820231 [1,0,0,0,1,0|2,0,0]=4 592 B11R2.36 Oc1ccc2ccoc2c1 271570a_203496583355_100000759542 [1,0,0,0,1,0|2,0,0]=4 593 B11R2.36 Oc1ccc2ccsc2c1 271570a_203496583355_100009888917 [1,0,0,0,1,0|2,0,0]=4 594 B11R2.36 Oc1ccc2cn[nH]c2c1 271570a_203496583355_100000049514 [1,0,0,0,1,0|2,0,0]=4 595 B11R2.36 Oc1ccc2cncn2c1 271570a_203496583355_100009887162 [1,0,0,0,1,0|2,0,0]=4 596 B11R2.36 Oc1ccc2cnoc2c1 271570a_203496583355_100009817722 [1,0,0,0,1,0|2,0,0]=4 597 B11R2.36 Oc1ccc2cscc2c1 271570a_203496583355_200010760811 [1,0,0,0,1,0|2,0,0]=4 598 B11R2.36 Oc1ccc2csnc2c1 271570a_203496583355_100010170880 [1,0,0,0,1,0|2,0,0]=4 599 B11R2.36 Oc1ccc2occc2c1 271570a_203496583355_100012343831 [1,0,0,0,1,0|2,0,0]=4 600 B11R2.36 Oc1ccc2ocnc2c1 271570a_203496583355_100009816175 [1,0,0,0,1,0|2,0,0]=4 601 B11R2.36 Oc1ccc2oncc2c1 271570a_203496583355_100009817723 [1,0,0,0,1,0|2,0,0]=4 602 B11R2.36 Oc1ccc2sccc2c1 271570a_203496583355_100009814439 [1,0,0,0,1,0|2,0,0]=4 603 B11R2.36 Oc1ccc2scnc2c1 271570a_203496583355_100010005895 [1,0,0,0,1,0|2,0,0]=4 604 B11R2.36 Oc1ccn2ccnc2c1 271570a_203496583355_100009816855 [1,0,0,0,1,0|2,0,0]=4 605 B11R2.36 Oc1cnc2[nH]ccc2c1 271570a_203496583355_100000760471 [1,0,0,0,1,0|1,0,1]=4 606 B11R2.36 Oc1cnc2[nH]ncc2c1 271570a_203496583355_100009814530 [1,0,0,0,1,0|1,0,1]=4 607 B11R2.36 Oc1cnc2cc[nH]c2c1 271570a_203496583355_100009818992 [1,0,0,0,1,0|0,0,2]=4 608 B11R2.36 Oc1cnc2ccnn2c1 271570a_203496583355_100011349234 [1,0,0,0,1,0|1,0,1]=4 609 B11R2.36 Oc1cnc2cn[nH]c2c1 271570a_203496583355_100009844038 [1,0,0,0,1,0|1,0,1]=4 610 B11R2.36 Oc1cnc2sccc2c1 271570a_203496583355_100010135160 [1,0,0,0,1,0|1,0,1]=4 611 B11R2.36 Oc1cnc2scnc2c1 271570a_203496583355_100010178689 [1,0,0,0,1,0|1,0,1]=4 612 B13R1.348 CC(=O)CC(=O)Nc1ccncc1 1458a_100000070787_100000754145 [0,0,1,0,0,1|0,0,2]=4 613 B13R1.348 NC(=O)CC(=O)Cc1cccnc1 1458a_100000737805_100000187820 [0,0,1,0,0,1|0,0,2]=4 614 B13R1.348 NC(=O)CC(=O)Cc1cccnc1 1458a_100134613110_100000733263 [0,0,1,0,0,1|0,0,2]=4 615 B13R1.351 C=C(Br)C(=O)NCc1ccccc1 11a_100015324214_100009813364 [0,0,1,0,0,1|2,0,0]=4 616 B13R1.351 C=C(Br)C(=O)NCc1ccccc1 1626a_100015324214_100009813364 [0,0,1,0,0,1|2,0,0]=4 617 B13R1.351 C=C(Br)C(=O)NCc1ccncc1 11a_100000210450_100009813364 [0,0,1,0,0,1|1,0,0]=3 618 B13R1.351 C=C(Br)C(=O)NCc1ccncc1 1626a_100000210450_100009813364 [0,0,1,0,0,1|1,0,0]=3 619 B13R1.351 C=C(Br)C(=O)NCc1ccncn1 11a_100000736019_100009813364 [0,0,1,0,0,1|2,0,0]=4 620 B13R1.351 C=C(C)C(=NNc1ccncc1)C 4a_100000698918_100011216138 [0,0,1,0,0,1|2,0,0]=4 621 B13R1.351 C=C(C)C(=O)CCc1ccncc1 1458a_100000185857_100000723409 [0,0,1,0,0,1|2,0,0]=4 622 B13R1.351 C=C(C)C(=O)NCc1ccccc1 11a_100015324214_100000185857 [0,0,1,0,0,1|2,0,0]=4 623 B13R1.351 C=C(C)C(=O)NCc1ccccc1 1626a_100015324214_100000185857 [0,0,1,0,0,1|2,0,0]=4 624 B13R1.351 C=C(C)C(=O)NCc1ccncc1 11a_100000210450_100000185857 [0,0,1,0,0,1|1,0,0]=3 625 B13R1.351 C=C(C)C(=O)NCc1ccncc1 1626a_100000210450_100000185857 [0,0,1,0,0,1|1,0,0]=3 626 B13R1.351 C=C(C)C(=O)NCc1ccncn1 11a_100000736019_100000185857 [0,0,1,0,0,1|2,0,0]=4 627 B13R1.351 C=C(C)C(=O)NNc1ccccc1 22a_100015195140_100000185857 [0,0,1,0,0,1|2,0,0]=4 628 B13R1.351 C=C(C)C(=O)NNc1ccncc1 22a_100000698918_100000185857 [0,0,1,0,0,1|1,0,0]=3 629 B13R1.351 C=C(C)C(=O)NNc1ccncn1 22a_100011438088_100000185857 [0,0,1,0,0,1|2,0,0]=4 630 B13R1.351 C=C(Cl)C(=O)NCc1ccccc1 11a_100015324214_100000039160 [0,0,1,0,0,1|2,0,0]=4 631 B13R1.351 C=C(Cl)C(=O)NCc1ccccc1 1626a_100015324214_100000039160 [0,0,1,0,0,1|2,0,0]=4 632 B13R1.351 C=C(Cl)C(=O)NCc1ccncc1 11a_100000210450_100000039160 [0,0,1,0,0,1|1,0,0]=3 633 B13R1.351 C=C(Cl)C(=O)NCc1ccncc1 1626a_100000210450_100000039160 [0,0,1,0,0,1|1,0,0]=3 634 B13R1.351 C=C(Cl)C(=O)NCc1ccncn1 11a_100000736019_100000039160 [0,0,1,0,0,1|2,0,0]=4 635 B13R1.351 C=C(Cl)C(=O)NNc1ccccc1 22a_100015195140_100000039160 [0,0,1,0,0,1|2,0,0]=4 636 B13R1.351 C=C(Cl)C(=O)NNc1ccncc1 22a_100000698918_100000039160 [0,0,1,0,0,1|1,0,0]=3 637 B13R1.351 C=C(Cl)C(=O)NNc1ccncn1 22a_100011438088_100000039160 [0,0,1,0,0,1|2,0,0]=4 638 B13R1.351 C=C(F)C(=O)NCc1ccccc1 11a_100015324214_100000036797 [0,0,1,0,0,1|2,0,0]=4 639 B13R1.351 C=C(F)C(=O)NCc1ccccc1 1626a_100015324214_100000036797 [0,0,1,0,0,1|2,0,0]=4 640 B13R1.351 C=C(F)C(=O)NCc1ccncc1 11a_100000210450_100000036797 [0,0,1,0,0,1|1,0,0]=3 641 B13R1.351 C=C(F)C(=O)NCc1ccncc1 1626a_100000210450_100000036797 [0,0,1,0,0,1|1,0,0]=3 642 B13R1.351 C=C(F)C(=O)NCc1ccncn1 11a_100000736019_100000036797 [0,0,1,0,0,1|2,0,0]=4 643 B13R1.351 C=C(F)C(=O)NNc1ccccc1 22a_100015195140_100000036797 [0,0,1,0,0,1|2,0,0]=4 644 B13R1.351 C=C(F)C(=O)NNc1ccncc1 22a_100000698918_100000036797 [0,0,1,0,0,1|1,0,0]=3 645 B13R1.351 C=C(F)C(=O)NNc1ccncn1 22a_100011438088_100000036797 [0,0,1,0,0,1|2,0,0]=4 646 B13R1.351 C[C@@H](O)C(=O)NCc1ccncc1 240690a_100000210450_100000717761 [0,0,1,0,0,1|0,0,2]=4 647 B13R1.351 C[C@@H](O)C(=O)NNc1ccncc1 22a_100000698918_100000717761 [0,0,1,0,0,1|0,0,2]=4 648 B13R1.351 C[C@H](O)C(=O)NCc1ccncc1 1626a_100000210450_217856618621 [0,0,1,0,0,1|0,0,2]=4 649 B13R1.351 C[C@H](O)C(=O)NCc1ccncc1 240690a_100000210450_217856618621 [0,0,1,0,0,1|0,0,2]=4 650 B13R1.351 C[C@H](O)C(=O)NNc1ccncc1 22a_100000698918_217856618621 [0,0,1,0,0,1|0,0,2]=4 651 B13R1.351 NC(=O)C(=O)NCc1cccnc1 240690a_100000210453_100011215815 [0,0,1,0,0,1|0,0,2]=4 652 B13R1.351 NC(=O)C(=O)NCc1ccncc1 240690a_100000210450_100011215815 [0,0,1,0,0,1|1,0,1]=4 653 B13R1.351 NC(=O)C(=O)NNc1cccnc1 22a_100000728903_100011215815 [0,0,1,0,0,1|1,0,1]=4 654 B13R1.351 NC(=O)C(=O)NNc1ccncc1 22a_100000698918_100011215815 [0,0,1,0,0,1|1,0,1]=4 655 B13R1.351 O=C(NCc1ccncc1)C(O)O 240690a_100000210450_100000233687 [0,0,1,0,0,1|1,0,1]=4 656 B13R1.351 O=C(NNc1ccncc1)C(O)O 22a_100000698918_100000233687 [0,0,1,0,0,1|1,0,1]=4 657 B13R1.528 C=CC(=O)NCc1ccncc1Br 240690a_100020640021_200121576911 [0,0,1,0,0,1|2,0,0]=4 658 B13R1.528 C=CC(=O)NCc1ccncc1C 1626a_100000708811_100000185746 [0,0,1,0,0,1|1,0,1]=4 659 B13R1.528 C=CC(=O)NCc1ccncc1C 240690a_100000708811_200121576911 [0,0,1,0,0,1|1,0,1]=4 660 B13R1.528 C=CC(=O)NCc1ccncc1F 1626a_100011935246_100000185746 [0,0,1,0,0,1|2,0,0]=4 661 B13R1.528 C=CC(=O)NCc1ccncc1F 240690a_100011935246_200121576911 [0,0,1,0,0,1|2,0,0]=4 662 B13R1.528 C=CC(=O)NNc1ccncc1Br 22a_100013404636_100000185746 [0,0,1,0,0,1|2,0,0]=4 663 B13R1.528 C=CC(=O)NNc1ccncc1C 22a_100011935204_100000185746 [0,0,1,0,0,1|1,0,1]=4 664 B13R1.528 Cc1cnccc1CNC(=O)CO 240690a_100000708811_100000210174 [0,0,1,0,0,1|0,0,2]=4 665 B13R1.528 Cc1cnccc1CNC(=O)CO 527a_100000708811_100000210174 [0,0,1,0,0,1|0,0,2]=4 666 B13R1.528 Cc1cnccc1NNC(=O)CO 22a_100011935204_100000210174 [0,0,1,0,0,1|0,0,2]=4 667 B13R1.528 O=C(CO)NCc1ccncc1Br 240690a_100020640021_100000210174 [0,0,1,0,0,1|1,0,1]=4 668 B13R1.528 O=C(CO)NCc1ccncc1Br 527a_100020640021_100000210174 [0,0,1,0,0,1|1,0,1]=4 669 B13R1.528 O=C(CO)NCc1ccncc1F 240690a_100011935246_100000210174 [0,0,1,0,0,1|1,0,1]=4 670 B13R1.528 O=C(CO)NCc1ccncc1F 527a_100011935246_100000210174 [0,0,1,0,0,1|1,0,1]=4 671 B13R1.528 O=C(CO)NNc1ccncc1Br 22a_100013404636_100000210174 [0,0,1,0,0,1|1,0,1]=4