0 B17R3.4465 Oc1ccnc2c1ccc3c2nccc3 271570a_203496583355_100010235877 [1,0,0,0,0,0|1,0,0]=2 1 B17R2.3393 Cc1cccc(c1C)c2nccc(c2C)C 271570a_100000760475_100009847204 [0,0,1,0,0,0|1,0,2]=4 2 B17R2.3393 Cc1cccc(c1C)c2nccc(c2F)C 271570a_100000760475_100009817629 [0,0,1,0,0,0|2,0,1]=4 3 B17R2.3393 Cc1cccc(c1C)c2nccc(c2N)C 271570a_100000760475_100000763560 [0,0,1,0,0,0|2,0,1]=4 4 B17R2.3393 Cc1cccc(c1C)c2nccc(c2O)C 271570a_100000760475_100000696282 [0,0,1,0,0,0|2,0,1]=4 5 B17R2.3393 Cc1cccc(c1F)c2nccc(c2F)C 271570a_100011934588_100009817629 [0,0,1,0,0,0|3,0,0]=4 6 B17R2.3393 Cc1cccc(c1O)c2nccc(c2F)C 271570a_100000089634_100009817629 [0,0,1,0,0,0|3,0,0]=4 7 B17R2.3393 Cc1cccc(c1O)c2nccc(c2O)C 271570a_100000089634_100000696282 [0,0,1,0,0,0|3,0,0]=4 8 B17R2.3393 Cc1ccnc(c1C)c2cccc(c2Br)C 271570a_100046285795_100009847204 [0,0,1,0,0,0|2,0,1]=4 9 B17R2.3393 Cc1ccnc(c1C)c2cccc(c2Cl)C 271570a_100012343306_100009847204 [0,0,1,0,0,0|2,0,1]=4 10 B17R2.3393 Cc1ccnc(c1C)c2cccc(c2F)C 271570a_100011934588_100009847204 [0,0,1,0,0,0|2,0,1]=4 11 B17R2.3393 Cc1ccnc(c1C)c2cccc(c2O)C 271570a_100000089634_100009847204 [0,0,1,0,0,0|2,0,1]=4 12 B17R2.3393 Cc1ccnc(c1F)c2cccc(c2Br)C 271570a_100046285795_100009817629 [0,0,1,0,0,0|3,0,0]=4 13 B17R2.3393 Cc1ccnc(c1F)c2cccc(c2Cl)C 271570a_100012343306_100009817629 [0,0,1,0,0,0|3,0,0]=4 14 B17R2.3393 Cc1ccnc(c1N)c2cccc(c2Br)C 271570a_100046285795_100000763560 [0,0,1,0,0,0|3,0,0]=4 15 B17R2.3393 Cc1ccnc(c1N)c2cccc(c2Cl)C 271570a_100012343306_100000763560 [0,0,1,0,0,0|3,0,0]=4 16 B17R2.3393 Cc1ccnc(c1N)c2cccc(c2F)C 271570a_100011934588_100000763560 [0,0,1,0,0,0|3,0,0]=4 17 B17R2.3393 Cc1ccnc(c1N)c2cccc(c2O)C 271570a_100000089634_100000763560 [0,0,1,0,0,0|3,0,0]=4 18 B17R2.3393 Cc1ccnc(c1O)c2cccc(c2Br)C 271570a_100046285795_100000696282 [0,0,1,0,0,0|3,0,0]=4 19 B17R2.3393 Cc1ccnc(c1O)c2cccc(c2Cl)C 271570a_100012343306_100000696282 [0,0,1,0,0,0|3,0,0]=4 20 B17R2.3393 Cc1ccnc(c1O)c2cccc(c2F)C 271570a_100011934588_100000696282 [0,0,1,0,0,0|3,0,0]=4 21 B17R2.5121 Cc1ccccc1C=Cc2ccccc2F 271570a_200102527919_100000210755 [0,0,1,0,0,0|3,0,0]=4 22 B17R2.5121 Cc1ccccc1COc2cnccc2C 34a_100011997053_100000211839 [0,0,1,0,0,0|2,0,1]=4 23 B17R2.5121 Cc1ccccc1COc2cnccc2C 7a_100011997053_100000211839 [0,0,1,0,0,0|2,0,1]=4 24 B17R2.5121 Cc1ccccc1CSc2cnccc2C 62a_100000211839_100000761580 [0,0,1,0,0,0|2,0,1]=4 25 B17R2.5121 Cc1ccccc1CSc2cnccc2C 62a_100000761580_100000211839 [0,0,1,0,0,0|2,0,1]=4 26 B17R2.5121 Cc1ccncc1C=Cc2ccccc2F 271570a_200102527919_100000761580 [0,0,1,0,0,0|2,0,0]=3 27 B17R2.5121 Cc1ccncc1CNc2ccccc2C 207a_100015192222_100000685662 [0,0,1,0,0,0|2,0,1]=4 28 B17R2.5121 Cc1ccncc1CNc2ccccc2C 34a_100015192222_100000690890 [0,0,1,0,0,0|2,0,1]=4 29 B17R2.5121 Cc1ccncc1CNc2nnccc2C 27a_100011997553_100000089043 [0,0,1,0,0,0|2,0,1]=4 30 B17R2.5121 Cc1ccncc1COc2ccccc2C 34a_100000210338_100000690890 [0,0,1,0,0,0|2,0,1]=4 31 B17R2.5121 Cc1ccncc1COc2ccccc2C 7a_100000210338_100000690890 [0,0,1,0,0,0|2,0,1]=4 32 B17R2.5121 Cc1ccncc1COc2cnccc2C 34a_100011997053_100000690890 [0,0,1,0,0,0|1,0,1]=3 33 B17R2.5121 Cc1ccncc1COc2cnccc2C 7a_100011997053_100000690890 [0,0,1,0,0,0|1,0,1]=3 34 B17R2.5121 Cc1ccncc1COc2cnccc2Cl 34a_100011996695_100000690890 [0,0,1,0,0,0|2,0,1]=4 35 B17R2.5121 Cc1ccncc1COc2cnccc2I 34a_100000050107_100000690890 [0,0,1,0,0,0|2,0,1]=4 36 B17R2.5121 Cc1ccncc1COc2cnccc2N 34a_100000753702_100000690890 [0,0,1,0,0,0|2,0,1]=4 37 B17R2.5121 Cc1ccncc1CSc2ccccc2C 62a_100000210755_100000690890 [0,0,1,0,0,0|2,0,1]=4 38 B17R2.5121 Cc1ccncc1CSc2ccccc2C 62a_100000690890_100000210755 [0,0,1,0,0,0|2,0,1]=4 39 B17R2.5121 Cc1ccncc1CSc2cnccc2Br 62a_100000690890_100010138639 [0,0,1,0,0,0|2,0,1]=4 40 B17R2.5121 Cc1ccncc1CSc2cnccc2Br 62a_100010138639_100000690890 [0,0,1,0,0,0|2,0,1]=4 41 B17R2.5121 Cc1ccncc1CSc2cnccc2C 62a_100000690890_100000761580 [0,0,1,0,0,0|1,0,1]=3 42 B17R2.5121 Cc1ccncc1CSc2cnccc2C 62a_100000761580_100000690890 [0,0,1,0,0,0|1,0,1]=3 43 B17R2.5121 Cc1ccncc1CSc2cnccc2Cl 62a_100000690890_100009995489 [0,0,1,0,0,0|2,0,1]=4 44 B17R2.5121 Cc1ccncc1CSc2cnccc2Cl 62a_100009995489_100000690890 [0,0,1,0,0,0|2,0,1]=4 45 B17R2.5121 Cc1ccncc1CSc2cnccc2F 62a_100000690890_100009820683 [0,0,1,0,0,0|2,0,1]=4 46 B17R2.5121 Cc1ccncc1CSc2cnccc2F 62a_100009820683_100000690890 [0,0,1,0,0,0|2,0,1]=4 47 B17R2.5121 Cc1ccncc1CSc2cnccc2N 62a_100000047001_100000690890 [0,0,1,0,0,0|2,0,1]=4 48 B17R2.5121 Cc1ccncc1CSc2cnccc2N 62a_100000690890_100000047001 [0,0,1,0,0,0|2,0,1]=4 49 B17R2.5121 Cc1ccncc1CSc2cncnc2C 62a_100000690890_100009819671 [0,0,1,0,0,0|2,0,1]=4 50 B17R2.5121 Cc1ccncc1CSc2cncnc2C 62a_100009819671_100000690890 [0,0,1,0,0,0|2,0,1]=4 51 B17R2.5121 Cc1ccncc1CSc2nnccc2C 62a_100000690890_100000089043 [0,0,1,0,0,0|2,0,1]=4 52 B17R2.5121 Cc1ccnnc1C=Cc2ccccc2F 271570a_200102527919_100000089043 [0,0,1,0,0,0|3,0,0]=4 53 B17R2.5121 Cc1ncncc1C=Cc2ccccc2F 271570a_200102527919_100009819671 [0,0,1,0,0,0|3,0,0]=4 54 B17R2.5121 Fc1ccccc1C=Cc2cnccc2Br 271570a_200102527919_100010138639 [0,0,1,0,0,0|3,0,0]=4 55 B17R2.5121 Fc1ccccc1C=Cc2cnccc2Cl 271570a_200102527919_100009995489 [0,0,1,0,0,0|3,0,0]=4 56 B17R2.5121 Fc1ccccc1C=Cc2cnccc2F 271570a_200102527919_100009820683 [0,0,1,0,0,0|3,0,0]=4 57 B17R2.5121 Nc1ccncc1C=Cc2ccccc2F 271570a_200102527919_100000047001 [0,0,1,0,0,0|3,0,0]=4 58 B17R2.9370 C/C=C/CNc1cccc2c1nccc2C 34a_100011934384_100102629194 [0,0,1,0,0,0|0,0,2]=3 59 B17R2.9370 C/C=C/CNc1cccc2c1nccc2Cl 34a_100009892510_100102629194 [0,0,1,0,0,0|1,0,2]=4 60 B17R2.9370 C/C=C/COc1cccc2c1nccc2Br 34a_100000703299_100102629194 [0,0,1,0,0,0|2,0,1]=4 61 B17R2.9370 C/C=C/COc1cccc2c1nccc2Br 7a_100000703299_100102629194 [0,0,1,0,0,0|2,0,1]=4 62 B17R2.9370 C/C=C/COc1cccc2c1nccc2C 7a_100000702989_100102629194 [0,0,1,0,0,0|1,0,1]=3 63 B17R2.9370 C/C=C/CSc1cccc2c1nccc2C 62a_100102629194_100010254272 [0,0,1,0,0,0|1,0,1]=3 64 B17R2.9370 C/C=C/CSc1cccc2c1nccc2N 62a_100011620713_100102629194 [0,0,1,0,0,0|2,0,1]=4 65 B17R2.9370 C/C=C/CSc1cccc2c1nccc2N 62a_100102629194_100011620713 [0,0,1,0,0,0|2,0,1]=4 66 B17R2.9370 C/C=C/CSc1ccnc2c1nccc2C 62a_100102629194_200013369187 [0,0,1,0,0,0|2,0,1]=4 67 B17R2.9370 CC=CCNc1cccc2c1nccc2C 34a_100011934384_100000070051 [0,0,1,0,0,0|0,0,2]=3 68 B17R2.9370 CC=CCNc1cccc2c1nccc2Cl 34a_100009892510_100000070051 [0,0,1,0,0,0|1,0,2]=4 69 B17R2.9370 CC=CCOc1cccc2c1nccc2Br 34a_100000703299_100000070051 [0,0,1,0,0,0|2,0,1]=4 70 B17R2.9370 CC=CCOc1cccc2c1nccc2Br 7a_100000703299_100000070051 [0,0,1,0,0,0|2,0,1]=4 71 B17R2.9370 CC=CCOc1cccc2c1nccc2C 7a_100000702989_100000070051 [0,0,1,0,0,0|1,0,1]=3 72 B17R2.9370 CC=CCSc1cccc2c1nccc2C 62a_100000070051_100010254272 [0,0,1,0,0,0|1,0,1]=3 73 B17R2.9370 CC=CCSc1cccc2c1nccc2N 62a_100000070051_100011620713 [0,0,1,0,0,0|2,0,1]=4 74 B17R2.9370 CC=CCSc1cccc2c1nccc2N 62a_100011620713_100000070051 [0,0,1,0,0,0|2,0,1]=4 75 B17R2.9370 CC=CCSc1ccnc2c1nccc2C 62a_100000070051_200013369187 [0,0,1,0,0,0|2,0,1]=4 76 B17R2.9370 CCCC=Cc1cccc2c1nccc2C 271570a_100016258520_100010254272 [0,0,1,0,0,0|1,0,2]=4 77 B17R2.9370 CCOC=Cc1cccc2c1nccc2C 271570a_100016256518_100010254272 [0,0,1,0,0,0|2,0,1]=4 78 B17R2.9370 COCC=Cc1cccc2c1nccc2C 271570a_100016286323_100010254272 [0,0,1,0,0,0|2,0,1]=4 79 B17R2.15081 COc1c(cccc1c2cc(ccn2)C)C 271570a_100000049243_100010141385 [0,0,1,0,0,0|2,0,1]=4 80 B17R2.15081 COc1c(cccc1c2cc(ccn2)C)C 271570a_200000084649_100000750283 [0,0,1,0,0,0|2,0,1]=4 81 B17R2.15081 COc1c(ccnc1c2cc(ccn2)C)N 271570a_100000049243_100000104429 [0,0,1,0,0,0|2,0,1]=4 82 B17R2.15081 COc1c(ccnc1c2cc(ccn2)C)O 271570a_100000049243_100000104430 [0,0,1,0,0,0|2,0,1]=4 83 B17R2.15081 Cc1cccc(c1)c2cccc(c2C=O)C 271570a_100000749446_100000041122 [0,0,1,0,0,0|3,0,0]=4 84 B17R2.15081 Cc1cccc(c1)c2nccc(c2C#N)C 271570a_100000749446_100000691447 [0,0,1,0,0,0|2,0,1]=4 85 B17R2.15081 Cc1cccc(c1)c2nccc(c2C=O)O 271570a_100000749446_200010729673 [0,0,1,0,0,0|3,0,0]=4 86 B17R2.15081 Cc1cccc(c1C=O)c2cc(ccn2)F 271570a_200000087102_100000041122 [0,0,1,0,0,0|3,0,0]=4 87 B17R2.15081 Cc1ccnc(c1)c2cccc(c2C#N)C 271570a_100000049243_100009819585 [0,0,1,0,0,0|2,0,1]=4 88 B17R2.15081 Cc1ccnc(c1)c2cccc(c2C=O)C 271570a_100000049243_100000041122 [0,0,1,0,0,0|2,0,0]=3 89 B17R2.15081 Cc1ccnc(c1)c2cccc(c2C=O)Cl 271570a_100000049243_100010147682 [0,0,1,0,0,0|3,0,0]=4 90 B17R2.15081 Cc1ccnc(c1)c2cccc(c2C=O)Cl 271570a_100009861587_100000750283 [0,0,1,0,0,0|3,0,0]=4 91 B17R2.15081 Cc1ccnc(c1)c2cccc(c2C=O)F 271570a_100000049243_100000210083 [0,0,1,0,0,0|3,0,0]=4 92 B17R2.15081 Cc1ccnc(c1)c2cccc(c2C=O)F 271570a_100010144235_100000750283 [0,0,1,0,0,0|3,0,0]=4 93 B17R2.15081 Cc1ccnc(c1)c2cccc(c2C=O)N 271570a_100000049243_100010232536 [0,0,1,0,0,0|3,0,0]=4 94 B17R2.15081 Cc1ccnc(c1)c2cccc(c2C=O)O 271570a_100000049243_100009814793 [0,0,1,0,0,0|3,0,0]=4 95 B17R2.15081 Cc1ccnc(c1)c2nccc(c2C#N)C 271570a_100000049243_100000691447 [0,0,1,0,0,0|1,0,1]=3 96 B17R2.15081 Cc1ccnc(c1)c2nccc(c2C=O)O 271570a_100000049243_200010729673 [0,0,1,0,0,0|2,0,0]=3 97 B17R2.15081 Cc1ccnc(c1)c2ncnc(c2C=O)N 271570a_100000049243_100000765549 [0,0,1,0,0,0|3,0,0]=4 98 B17R2.15081 Cc1ccnc(c1C#N)c2cc(ccn2)F 271570a_200000087102_100000691447 [0,0,1,0,0,0|2,0,1]=4 99 B17R2.15081 O=Cc1c(ccnc1c2cc(ccn2)F)O 271570a_200000087102_200010729673 [0,0,1,0,0,0|3,0,0]=4 100 B16R2.2921 Cc1cccc(c1)c2nccc(c2C)C 271570a_100000749446_100009847204 [1,0,1,0,0,0|1,0,1]=4 101 B16R2.2921 Cc1cccc(c1)c2nccc(c2F)C 271570a_100000749446_100009817629 [1,0,1,0,0,0|2,0,0]=4 102 B16R2.2921 Cc1cccc(c1)c2nccc(c2N)C 271570a_100000749446_100000763560 [1,0,1,0,0,0|2,0,0]=4 103 B16R2.2921 Cc1cccc(c1)c2nccc(c2O)C 271570a_100000749446_100000696282 [1,0,1,0,0,0|2,0,0]=4 104 B16R2.2921 Cc1ccnc(c1)c2cccc(c2Br)C 271570a_100046285795_100000750283 [1,0,1,0,0,0|2,0,0]=4 105 B16R2.2921 Cc1ccnc(c1)c2cccc(c2C)C 271570a_100000049243_100011214922 [1,0,1,0,0,0|1,0,1]=4 106 B16R2.2921 Cc1ccnc(c1)c2cccc(c2C)C 271570a_100000760475_100000750283 [1,0,1,0,0,0|1,0,1]=4 107 B16R2.2921 Cc1ccnc(c1)c2cccc(c2Cl)C 271570a_100000049243_200012352035 [1,0,1,0,0,0|2,0,0]=4 108 B16R2.2921 Cc1ccnc(c1)c2cccc(c2Cl)C 271570a_100012343306_100000750283 [1,0,1,0,0,0|2,0,0]=4 109 B16R2.2921 Cc1ccnc(c1)c2cccc(c2F)C 271570a_100000049243_100000717567 [1,0,1,0,0,0|2,0,0]=4 110 B16R2.2921 Cc1ccnc(c1)c2cccc(c2F)C 271570a_100011934588_100000750283 [1,0,1,0,0,0|2,0,0]=4 111 B16R2.2921 Cc1ccnc(c1)c2cccc(c2N)C 271570a_100000049243_100011834072 [1,0,1,0,0,0|2,0,0]=4 112 B16R2.2921 Cc1ccnc(c1)c2cccc(c2O)C 271570a_100000049243_100009817157 [1,0,1,0,0,0|2,0,0]=4 113 B16R2.2921 Cc1ccnc(c1)c2cccc(c2O)C 271570a_100000089634_100000750283 [1,0,1,0,0,0|2,0,0]=4 114 B16R2.2921 Cc1ccnc(c1)c2nccc(c2C)C 271570a_100000049243_100009847204 [1,0,1,0,0,0|0,0,1]=3 115 B16R2.2921 Cc1ccnc(c1)c2nccc(c2C)F 271570a_100000049243_100009846374 [1,0,1,0,0,0|1,0,1]=4 116 B16R2.2921 Cc1ccnc(c1)c2nccc(c2C)N 271570a_100000049243_100009980296 [1,0,1,0,0,0|1,0,1]=4 117 B16R2.2921 Cc1ccnc(c1)c2nccc(c2F)C 271570a_100000049243_100009817629 [1,0,1,0,0,0|1,0,0]=3 118 B16R2.2921 Cc1ccnc(c1)c2nccc(c2F)N 271570a_100000049243_100015205195 [1,0,1,0,0,0|2,0,0]=4 119 B16R2.2921 Cc1ccnc(c1)c2nccc(c2F)O 271570a_100000049243_100009876375 [1,0,1,0,0,0|2,0,0]=4 120 B16R2.2921 Cc1ccnc(c1)c2nccc(c2N)C 271570a_100000049243_100000763560 [1,0,1,0,0,0|1,0,0]=3 121 B16R2.2921 Cc1ccnc(c1)c2nccc(c2N)N 271570a_100000049243_100000085203 [1,0,1,0,0,0|2,0,0]=4 122 B16R2.2921 Cc1ccnc(c1)c2nccc(c2N)O 271570a_100000049243_100000128729 [1,0,1,0,0,0|2,0,0]=4 123 B16R2.2921 Cc1ccnc(c1)c2nccc(c2O)C 271570a_100000049243_100000696282 [1,0,1,0,0,0|1,0,0]=3 124 B16R2.2921 Cc1ccnc(c1)c2nccc(c2O)F 271570a_100000049243_100009867227 [1,0,1,0,0,0|2,0,0]=4 125 B16R2.2921 Cc1ccnc(c1)c2ncnc(c2C)C 271570a_100000049243_100011438038 [1,0,1,0,0,0|1,0,1]=4 126 B16R2.2921 Cc1ccnc(c1)c2ncnc(c2F)C 271570a_100000049243_100011671633 [1,0,1,0,0,0|2,0,0]=4 127 B16R2.2921 Cc1ccnc(c1C)c2cc(ccn2)F 271570a_200000087102_100009847204 [1,0,1,0,0,0|1,0,1]=4 128 B16R2.2921 Cc1ccnc(c1F)c2cc(ccn2)F 271570a_200000087102_100009817629 [1,0,1,0,0,0|2,0,0]=4 129 B16R2.2921 Cc1ccnc(c1N)c2cc(ccn2)F 271570a_200000087102_100000763560 [1,0,1,0,0,0|2,0,0]=4 130 B16R2.2921 Cc1ccnc(c1O)c2cc(ccn2)F 271570a_200000087102_100000696282 [1,0,1,0,0,0|2,0,0]=4 131 B16R2.3273 Cc1ccnc(c1C)c2ncccc2Cl 271570a_100009857861_100009847204 [1,0,1,0,0,0|1,0,1]=4 132 B16R2.3273 Cc1ccnc(c1F)c2ncccc2Cl 271570a_100009857861_100009817629 [1,0,1,0,0,0|2,0,0]=4 133 B16R2.3273 Cc1ccnc(c1N)c2ncccc2Cl 271570a_100009857861_100000763560 [1,0,1,0,0,0|2,0,0]=4 134 B16R2.3273 Cc1ccnc(c1O)c2ncccc2Cl 271570a_100009857861_100000696282 [1,0,1,0,0,0|2,0,0]=4 135 B16R2.71 Brc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000695589 [1,0,1,0,0,0|2,0,0]=4 136 B16R2.71 Brc1ccncc1C=Cc2ccccc2 271570a_100102527694_100010138639 [1,0,1,0,0,0|2,0,0]=4 137 B16R2.71 Brc1ccncc1C=Cc2cccnc2 271570a_100102525586_100010138639 [1,0,1,0,0,0|1,0,0]=3 138 B16R2.71 Brc1ncncc1C=Cc2cccnc2 271570a_100102525586_200012461658 [1,0,1,0,0,0|2,0,0]=4 139 B16R2.71 C[n+]1ccccc1C=Cc2cccnc2 271570a_100102525586_100000212160 [1,0,1,0,0,0|2,0,0]=4 140 B16R2.71 Cc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000210755 [1,0,1,0,0,0|2,0,0]=4 141 B16R2.71 Cc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000210755 [1,0,1,0,0,0|1,0,0]=3 142 B16R2.71 Cc1cccnc1C=Cc2cccnc2 271570a_100102525586_100000751373 [1,0,1,0,0,0|2,0,0]=4 143 B16R2.71 Cc1ccncc1C=Cc2ccccc2 271570a_100102527694_100000761580 [1,0,1,0,0,0|1,0,0]=3 144 B16R2.71 Cc1ccncc1C=Cc2cccnc2 271570a_100102525586_100000761580 [1,0,1,0,0,0|0,0,0]=2 145 B16R2.71 Cc1ccncc1COc2cccnc2 34a_100000210849_100000690890 [1,0,1,0,0,0|1,0,1]=4 146 B16R2.71 Cc1ccncc1COc2cccnc2 7a_100000210849_100000690890 [1,0,1,0,0,0|1,0,1]=4 147 B16R2.71 Cc1ccncc1CSc2cccnc2 62a_100000210063_100000690890 [1,0,1,0,0,0|1,0,1]=4 148 B16R2.71 Cc1ccncc1CSc2cccnc2 62a_100000690890_100000210063 [1,0,1,0,0,0|1,0,1]=4 149 B16R2.71 Cc1ccncc1OCc2cccnc2 34a_100011997053_100000733263 [1,0,1,0,0,0|1,0,1]=4 150 B16R2.71 Cc1ccncc1OCc2cccnc2 7a_100011997053_100000741622 [1,0,1,0,0,0|1,0,1]=4 151 B16R2.71 Cc1ccncc1SCc2cccnc2 62a_100000741622_100000761580 [1,0,1,0,0,0|1,0,1]=4 152 B16R2.71 Cc1ccncc1SCc2cccnc2 62a_100000761580_100000741622 [1,0,1,0,0,0|1,0,1]=4 153 B16R2.71 Cc1ccnnc1C=Cc2ccccc2 271570a_100102527694_100000089043 [1,0,1,0,0,0|2,0,0]=4 154 B16R2.71 Cc1ccnnc1C=Cc2cccnc2 271570a_100102525586_100000089043 [1,0,1,0,0,0|1,0,0]=3 155 B16R2.71 Cc1cnccc1C=Cc2cccnc2 271570a_100102525586_100015191297 [1,0,1,0,0,0|2,0,0]=4 156 B16R2.71 Cc1ncccc1C=Cc2cccnc2 271570a_100102525586_100000751574 [1,0,1,0,0,0|2,0,0]=4 157 B16R2.71 Cc1ncncc1C=Cc2ccccc2 271570a_100102527694_100009819671 [1,0,1,0,0,0|2,0,0]=4 158 B16R2.71 Cc1ncncc1C=Cc2cccnc2 271570a_100102525586_100009819671 [1,0,1,0,0,0|1,0,0]=3 159 B16R2.71 Clc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000764095 [1,0,1,0,0,0|2,0,0]=4 160 B16R2.71 Clc1ccncc1C=Cc2ccccc2 271570a_100102527694_100009995489 [1,0,1,0,0,0|2,0,0]=4 161 B16R2.71 Clc1ccncc1C=Cc2cccnc2 271570a_100102525586_100009995489 [1,0,1,0,0,0|1,0,0]=3 162 B16R2.71 Clc1ncncc1C=Cc2cccnc2 271570a_100102525586_100000758962 [1,0,1,0,0,0|2,0,0]=4 163 B16R2.71 Fc1ccccc1C=Cc2cccnc2 271570a_100102525586_100011215700 [1,0,1,0,0,0|2,0,0]=4 164 B16R2.71 Fc1ccccc1C=Cc2cccnc2 271570a_200102527919_100000752921 [1,0,1,0,0,0|2,0,0]=4 165 B16R2.71 Fc1ccncc1C=Cc2ccccc2 271570a_100102527694_100009820683 [1,0,1,0,0,0|2,0,0]=4 166 B16R2.71 Fc1ccncc1C=Cc2cccnc2 271570a_100102525586_100009820683 [1,0,1,0,0,0|1,0,0]=3 167 B16R2.71 Nc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000210017 [1,0,1,0,0,0|2,0,0]=4 168 B16R2.71 Nc1ccncc1C=Cc2ccccc2 271570a_100102527694_100000047001 [1,0,1,0,0,0|2,0,0]=4 169 B16R2.71 Nc1ccncc1C=Cc2cccnc2 271570a_100102525586_100000047001 [1,0,1,0,0,0|1,0,0]=3 170 B16R2.71 Nc1cnncc1C=Cc2cccnc2 271570a_100102525586_100009829405 [1,0,1,0,0,0|2,0,0]=4 171 B16R2.71 Nc1ncncc1C=Cc2cccnc2 271570a_100102525586_100011996079 [1,0,1,0,0,0|2,0,0]=4 172 B16R2.71 O=c1cc[nH]cc1C=Cc2cccnc2 271570a_100102525586_100009998708 [1,0,1,0,0,0|1,0,1]=4 173 B16R2.71 Oc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000739446 [1,0,1,0,0,0|2,0,0]=4 174 B16R2.71 Oc1ncncc1C=Cc2cccnc2 271570a_100102525586_100000751107 [1,0,1,0,0,0|2,0,0]=4 175 B16R2.71 S=c1cc[nH]cc1C=Cc2cccnc2 271570a_100102525586_200012280681 [1,0,1,0,0,0|1,0,1]=4 176 B16R2.963 C=CCNc1cccc2c1nccc2C 27a_100020586998_100010254272 [1,0,1,0,0,0|0,0,2]=4 177 B16R2.963 C=CCNc1cccc2c1nccc2C 34a_100011934384_100015514636 [1,0,1,0,0,0|0,0,2]=4 178 B16R2.963 C=CCOc1cccc2c1nccc2C 7a_100000702989_100015514636 [1,0,1,0,0,0|1,0,1]=4 179 B16R2.963 C=CCSc1cccc2c1nccc2C 62a_100000210623_100010254272 [1,0,1,0,0,0|1,0,1]=4 180 B16R2.50359 C/C=C/CNc1cccc2c1nccc2 34a_100000181377_100102629194 [1,0,1,0,0,0|0,0,2]=4 181 B16R2.50359 C/C=C/COc1cccc2c1nccc2 34a_100000056035_100102629194 [1,0,1,0,0,0|1,0,1]=4 182 B16R2.50359 C/C=C/CSc1cccc2c1nccc2 62a_100102629194_100011215545 [1,0,1,0,0,0|1,0,1]=4 183 B16R2.50359 CC=CCNc1cccc2c1nccc2 34a_100000181377_100000070051 [1,0,1,0,0,0|0,0,2]=4 184 B16R2.50359 CC=CCOc1cccc2c1nccc2 34a_100000056035_100000070051 [1,0,1,0,0,0|1,0,1]=4 185 B16R2.50359 CC=CCSc1cccc2c1nccc2 62a_100000070051_100011215545 [1,0,1,0,0,0|1,0,1]=4 186 B16R2.2245 C=Cc1ccccc1c2cc(ccn2)C 271570a_100000037480_100000750283 [1,0,1,0,0,0|1,0,0]=3 187 B16R2.2245 C=Cc1ccccc1c2cc(ccn2)Cl 271570a_100000037480_100010167805 [1,0,1,0,0,0|2,0,0]=4 188 B16R2.2245 C=Cc1ccccc1c2cc(ccn2)F 271570a_100000037480_100009817058 [1,0,1,0,0,0|2,0,0]=4 189 B16R2.2245 C=Cc1ccccc1c2cc(ccn2)N 271570a_100000037480_100009814236 [1,0,1,0,0,0|2,0,0]=4 190 B16R2.2245 C=Cc1ccccc1c2cc(ccn2)O 271570a_100000037480_100000762945 [1,0,1,0,0,0|2,0,0]=4 191 B16R2.2245 C=Cc1ccccc1c2cc(cnn2)C 271570a_100000037480_100000070100 [1,0,1,0,0,0|2,0,0]=4 192 B16R2.2245 C=Cc1ccccc1c2cc(ncn2)C 271570a_100000037480_100000744208 [1,0,1,0,0,0|2,0,0]=4 193 B16R2.2245 C=Cc1ccccc1c2cccc(c2)C 271570a_100000037480_100011215228 [1,0,1,0,0,0|2,0,0]=4 194 B16R2.2245 C=Cc1ccccc1c2nccc(n2)C 271570a_100000037480_100011243806 [1,0,1,0,0,0|2,0,0]=4 195 B16R2.2245 CNc1cccnc1c2cc(ccn2)C 271570a_100000049243_200011806188 [1,0,1,0,0,0|1,0,1]=4 196 B16R2.2245 COc1cccnc1c2cc(ccn2)C 271570a_100000049243_100000690851 [1,0,1,0,0,0|1,0,1]=4 197 B16R2.2245 Cc1cccc(c1)c2ncccc2C=O 271570a_100000749446_100009816751 [1,0,1,0,0,0|2,0,0]=4 198 B16R2.2245 Cc1ccnc(c1)c2ccccc2C=O 271570a_100000049243_100000211189 [1,0,1,0,0,0|2,0,0]=4 199 B16R2.2245 Cc1ccnc(c1)c2ccccc2C=O 271570a_100000740022_100000750283 [1,0,1,0,0,0|2,0,0]=4 200 B16R2.2245 Cc1ccnc(c1)c2ncccc2C#N 271570a_100000049243_100000211984 [1,0,1,0,0,0|1,0,1]=4 201 B16R2.2245 Cc1ccnc(c1)c2ncccc2C=O 271570a_100000049243_100009816751 [1,0,1,0,0,0|1,0,0]=3 202 B16R2.2245 Cc1ccnc(c1)c2ncccc2CN 271570a_100000049243_100015189234 [1,0,1,0,0,0|1,0,1]=4 203 B16R2.2245 Cc1ccnc(c1)c2ncccc2CO 271570a_100000049243_100000748726 [1,0,1,0,0,0|1,0,1]=4 204 B16R2.2245 O=Cc1cccnc1c2cc(ccn2)F 271570a_200000087102_100009816751 [1,0,1,0,0,0|2,0,0]=4 205 B16R2.2602 Cc1cccc(c1C=O)c2ccccn2 271570a_100011264011_100000041122 [1,0,1,0,0,0|2,0,0]=4 206 B16R2.2602 Cc1ccnc(c1C#N)c2ccccn2 271570a_100011264011_100000691447 [1,0,1,0,0,0|1,0,1]=4 207 B16R2.2602 O=Cc1c(ccnc1c2ccccn2)O 271570a_100011264011_200010729673 [1,0,1,0,0,0|2,0,0]=4 208 B16R2.6148 C=C(C)c1ccc2cccnc2c1OC 271570a_100000694244_100010256708 [1,0,1,0,0,0|1,0,1]=4 209 B18R2.1039 CCc1ccncc1C=Cc2ccccc2F 271570a_200102527919_100009819861 [0,1,1,0,0,0|2,0,0]=4 210 B18R2.1039 CCc1ccncc1SCc2cnccc2C 62a_100000690890_100009819861 [0,1,1,0,0,0|1,0,1]=4 211 B18R2.1039 CCc1ccncc1SCc2cnccc2C 62a_100009819861_100000690890 [0,1,1,0,0,0|1,0,1]=4 212 B18R2.1039 CNc1ccncc1C=Cc2ccccc2F 271570a_200102527919_100010069531 [0,1,1,0,0,0|2,0,0]=4 213 B18R2.1039 CNc1ccncc1SCc2cnccc2C 62a_100000690890_100010069531 [0,1,1,0,0,0|1,0,1]=4 214 B18R2.1039 CNc1ccncc1SCc2cnccc2C 62a_100010069531_100000690890 [0,1,1,0,0,0|1,0,1]=4 215 B18R2.1039 COc1ccncc1C=Cc2ccccc2F 271570a_200102527919_100011997281 [0,1,1,0,0,0|2,0,0]=4 216 B18R2.1039 COc1ccncc1OCc2cnccc2C 34a_100000101186_100000690890 [0,1,1,0,0,0|1,0,1]=4 217 B18R2.1039 COc1ccncc1SCc2cnccc2C 62a_100000690890_100011997281 [0,1,1,0,0,0|1,0,1]=4 218 B18R2.1039 COc1ccncc1SCc2cnccc2C 62a_100011997281_100000690890 [0,1,1,0,0,0|1,0,1]=4 219 B18R2.1039 Cc1ccncc1COc2cnccc2CO 34a_100000078615_100000690890 [0,1,1,0,0,0|1,0,1]=4 220 B18R2.1039 Cc1ccncc1CSc2cnccc2CN 62a_100000690890_100020640021 [0,1,1,0,0,0|1,0,1]=4 221 B18R2.1039 Cc1ccncc1CSc2cnccc2CN 62a_100020640021_100000690890 [0,1,1,0,0,0|1,0,1]=4 222 B18R2.1039 Cc1ccncc1CSc2cnccc2CO 62a_100000690890_100009873359 [0,1,1,0,0,0|1,0,1]=4 223 B18R2.1039 Cc1ccncc1CSc2cnccc2CO 62a_100009873359_100000690890 [0,1,1,0,0,0|1,0,1]=4 224 B18R2.1039 NCc1ccncc1C=Cc2ccccc2F 271570a_200102527919_100020640021 [0,1,1,0,0,0|2,0,0]=4 225 B18R2.1039 OCc1ccncc1C=Cc2ccccc2F 271570a_200102527919_100009873359 [0,1,1,0,0,0|2,0,0]=4 226 B18R2.32648 Cc1ccncc1CC(=O)c2ccccc2C 1458a_100000212026_100000690890 [0,1,1,0,0,0|1,0,1]=4 227 B18R2.33281 Cc1cc(c(cn1)C=Cc2ccccc2F)C 271570a_200102527919_100009819613 [0,1,1,0,0,0|2,0,0]=4 228 B18R2.33281 Cc1cc(c(cn1)OCc2cnccc2C)C 34a_200000068632_100000690890 [0,1,1,0,0,0|1,0,1]=4 229 B18R2.33281 Cc1cc(c(cn1)OCc2cnccc2C)C 7a_200000068632_100000690890 [0,1,1,0,0,0|1,0,1]=4 230 B18R2.33281 Cc1cc(c(cn1)SCc2cnccc2C)C 62a_100000690890_100009819613 [0,1,1,0,0,0|1,0,1]=4 231 B18R2.33281 Cc1cc(c(cn1)SCc2cnccc2C)C 62a_100009819613_100000690890 [0,1,1,0,0,0|1,0,1]=4 232 B18R2.33281 Cc1cc(ncc1C=Cc2ccccc2F)Br 271570a_200102527919_100009816104 [0,1,1,0,0,0|2,0,0]=4 233 B18R2.33281 Cc1cc(ncc1C=Cc2ccccc2F)Cl 271570a_200102527919_100010172789 [0,1,1,0,0,0|2,0,0]=4 234 B18R2.33281 Cc1cc(ncc1C=Cc2ccccc2F)F 271570a_200102527919_100009820716 [0,1,1,0,0,0|2,0,0]=4 235 B18R2.33281 Cc1cc(ncc1C=Cc2ccccc2F)N 271570a_200102527919_100000050067 [0,1,1,0,0,0|2,0,0]=4 236 B18R2.33281 Cc1cc(ncc1C=Cc2ccccc2F)O 271570a_200102527919_100010114363 [0,1,1,0,0,0|2,0,0]=4 237 B18R2.33281 Cc1cc(ncc1COc2cnccc2C)F 34a_100011997053_100010382440 [0,1,1,0,0,0|1,0,1]=4 238 B18R2.33281 Cc1cc(ncc1COc2cnccc2C)F 7a_100011997053_100010382440 [0,1,1,0,0,0|1,0,1]=4 239 B18R2.33281 Cc1cc(ncc1CSc2cnccc2C)F 62a_100000761580_100010382440 [0,1,1,0,0,0|1,0,1]=4 240 B18R2.33281 Cc1cc(ncc1CSc2cnccc2C)F 62a_100010382440_100000761580 [0,1,1,0,0,0|1,0,1]=4 241 B18R2.33281 Cc1ccncc1C=Cc2ccc(cc2F)F 271570a_100102527928_100000761580 [0,1,1,0,0,0|2,0,0]=4 242 B18R2.33281 Cc1ccncc1COc2cnc(cc2C)Cl 34a_100000692680_100000690890 [0,1,1,0,0,0|1,0,1]=4 243 B18R2.33281 Cc1ccncc1COc2cnc(cc2C)Cl 7a_100000692680_100000690890 [0,1,1,0,0,0|1,0,1]=4 244 B18R2.33281 Cc1ccncc1COc2cnc(cc2C)F 34a_100009856773_100000690890 [0,1,1,0,0,0|1,0,1]=4 245 B18R2.33281 Cc1ccncc1COc2cnc(cc2C)F 7a_100009856773_100000690890 [0,1,1,0,0,0|1,0,1]=4 246 B18R2.33281 Cc1ccncc1CSc2cnc(cc2C)Br 62a_100000690890_100009816104 [0,1,1,0,0,0|1,0,1]=4 247 B18R2.33281 Cc1ccncc1CSc2cnc(cc2C)Br 62a_100009816104_100000690890 [0,1,1,0,0,0|1,0,1]=4 248 B18R2.33281 Cc1ccncc1CSc2cnc(cc2C)Cl 62a_100000690890_100010172789 [0,1,1,0,0,0|1,0,1]=4 249 B18R2.33281 Cc1ccncc1CSc2cnc(cc2C)Cl 62a_100010172789_100000690890 [0,1,1,0,0,0|1,0,1]=4 250 B18R2.33281 Cc1ccncc1CSc2cnc(cc2C)F 62a_100000690890_100009820716 [0,1,1,0,0,0|1,0,1]=4 251 B18R2.33281 Cc1ccncc1CSc2cnc(cc2C)F 62a_100009820716_100000690890 [0,1,1,0,0,0|1,0,1]=4 252 B18R2.33281 Cc1ccncc1CSc2cnc(cc2C)N 62a_100000050067_100000690890 [0,1,1,0,0,0|1,0,1]=4 253 B18R2.33281 Cc1ccncc1CSc2cnc(cc2C)N 62a_100000690890_100000050067 [0,1,1,0,0,0|1,0,1]=4 254 B18R2.33281 Cc1ccncc1CSc2cnc(cc2C)O 62a_100000690890_100000766222 [0,1,1,0,0,0|1,0,1]=4 255 B18R2.33281 Cc1ccncc1CSc2cnc(cc2C)O 62a_100000766222_100000690890 [0,1,1,0,0,0|1,0,1]=4 256 B18R2.39767 Cc1c(cncc1C=Cc2ccccc2F)Br 271570a_200102527919_100010109657 [0,1,1,0,0,0|2,0,0]=4 257 B18R2.39767 Cc1c(cncc1C=Cc2ccccc2F)F 271570a_200102527919_100009881546 [0,1,1,0,0,0|2,0,0]=4 258 B18R2.39767 Cc1c(cncc1C=Cc2ccccc2F)N 271570a_200102527919_100011998293 [0,1,1,0,0,0|2,0,0]=4 259 B18R2.39767 Cc1ccncc1CSc2cncc(c2C)Br 62a_100000690890_100010109657 [0,1,1,0,0,0|1,0,1]=4 260 B18R2.39767 Cc1ccncc1CSc2cncc(c2C)Br 62a_100010109657_100000690890 [0,1,1,0,0,0|1,0,1]=4 261 B18R2.39767 Cc1ccncc1CSc2cncc(c2C)C 62a_100000690890_100009864703 [0,1,1,0,0,0|1,0,1]=4 262 B18R2.39767 Cc1ccncc1CSc2cncc(c2C)C 62a_100009864703_100000690890 [0,1,1,0,0,0|1,0,1]=4 263 B18R2.39767 Cc1ccncc1CSc2cncc(c2C)F 62a_100000690890_100009881546 [0,1,1,0,0,0|1,0,1]=4 264 B18R2.39767 Cc1ccncc1CSc2cncc(c2C)F 62a_100009881546_100000690890 [0,1,1,0,0,0|1,0,1]=4 265 B18R2.39767 Cc1ccncc1CSc2cncc(c2C)N 62a_100000690890_100011998293 [0,1,1,0,0,0|1,0,1]=4 266 B18R2.39767 Cc1ccncc1CSc2cncc(c2C)N 62a_100011998293_100000690890 [0,1,1,0,0,0|1,0,1]=4 267 B18R2.39767 Cc1cncc(c1C)C=Cc2ccccc2F 271570a_200102527919_100009864703 [0,1,1,0,0,0|2,0,0]=4 268 B18R2.63371 Cc1ccnc(c1C=Cc2ccccc2F)C 271570a_200102527919_100012000501 [0,1,1,0,0,0|2,0,0]=4 269 B18R2.63371 Cc1ccnc(c1C=Cc2ccccc2F)F 271570a_200102527919_100009818256 [0,1,1,0,0,0|2,0,0]=4 270 B18R2.63371 Cc1ccnc(c1C=Cc2ccccc2F)N 271570a_200102527919_100011998619 [0,1,1,0,0,0|2,0,0]=4 271 B18R2.63371 Cc1ccnc(c1C=Cc2ccccc2F)O 271570a_200102527919_100012000493 [0,1,1,0,0,0|2,0,0]=4 272 B18R2.63371 Cc1ccncc1CNc2c(ccnc2F)C 27a_100011997553_100009818256 [0,1,1,0,0,0|1,0,1]=4 273 B18R2.63371 Cc1ccncc1COc2c(ccnc2C)C 34a_100011934651_100000690890 [0,1,1,0,0,0|1,0,1]=4 274 B18R2.63371 Cc1ccncc1COc2c(ccnc2C)C 7a_100011934651_100000690890 [0,1,1,0,0,0|1,0,1]=4 275 B18R2.63371 Cc1ccncc1COc2c(ccnc2Cl)C 34a_100000696282_100000690890 [0,1,1,0,0,0|1,0,1]=4 276 B18R2.63371 Cc1ccncc1COc2c(ccnc2Cl)C 7a_100000696282_100000690890 [0,1,1,0,0,0|1,0,1]=4 277 B18R2.63371 Cc1ccncc1CSc2c(ccnc2C)C 62a_100000690890_100012000501 [0,1,1,0,0,0|1,0,1]=4 278 B18R2.63371 Cc1ccncc1CSc2c(ccnc2C)C 62a_100012000501_100000690890 [0,1,1,0,0,0|1,0,1]=4 279 B18R2.63371 Cc1ccncc1CSc2c(ccnc2Cl)C 62a_100000690890_100010248874 [0,1,1,0,0,0|1,0,1]=4 280 B18R2.63371 Cc1ccncc1CSc2c(ccnc2Cl)C 62a_100010248874_100000690890 [0,1,1,0,0,0|1,0,1]=4 281 B18R2.63371 Cc1ccncc1CSc2c(ccnc2F)C 62a_100000690890_100009818256 [0,1,1,0,0,0|1,0,1]=4 282 B18R2.63371 Cc1ccncc1CSc2c(ccnc2F)C 62a_100009818256_100000690890 [0,1,1,0,0,0|1,0,1]=4 283 B18R2.63371 Cc1ccncc1CSc2c(ccnc2N)C 62a_100000690890_100011998619 [0,1,1,0,0,0|1,0,1]=4 284 B18R2.63371 Cc1ccncc1CSc2c(ccnc2N)C 62a_100011998619_100000690890 [0,1,1,0,0,0|1,0,1]=4 285 B18R2.63371 Cc1ccncc1CSc2c(ccnc2O)C 62a_100000690890_100012000493 [0,1,1,0,0,0|1,0,1]=4 286 B18R2.63371 Cc1ccncc1CSc2c(ccnc2O)C 62a_100012000493_100000690890 [0,1,1,0,0,0|1,0,1]=4 287 B18R2.30196 CC/C=C\CNc1cccc2c1nccc2C 34a_100011934384_100103147603 [0,1,1,0,0,0|0,0,2]=4 288 B18R2.30196 CC/C=C\COc1cccc2c1nccc2C 7a_100000702989_100103147603 [0,1,1,0,0,0|1,0,1]=4 289 B18R2.30196 CC/C=C\CSc1cccc2c1nccc2C 62a_100103147603_100010254272 [0,1,1,0,0,0|1,0,1]=4 290 B18R2.59629 CC(=CCNc1cccc2c1nccc2C)C 27a_100000718196_100010254272 [0,1,1,0,0,0|0,0,2]=4 291 B18R2.59629 CC(=CCNc1cccc2c1nccc2C)C 34a_100011934384_100000761012 [0,1,1,0,0,0|0,0,2]=4 292 B18R2.59629 CC(=CCOc1cccc2c1nccc2C)C 7a_100000702989_100000761012 [0,1,1,0,0,0|1,0,1]=4 293 B18R2.59629 CC(=CCSc1cccc2c1nccc2C)C 62a_100000761012_100010254272 [0,1,1,0,0,0|1,0,1]=4 294 B18R2.80947 CC=CC(=O)Nc1cccc2c1nccc2C 11a_100011934384_100000210699 [0,1,1,0,0,0|0,0,1]=3 295 B18R2.80947 CC=CC(=O)Nc1cccc2c1nccc2C 1626a_100011934384_100000210699 [0,1,1,0,0,0|0,0,1]=3 296 B18R2.80947 CC=CC(=O)Nc1cccc2c1nccc2C 22a_100011934384_100000210699 [0,1,1,0,0,0|0,0,1]=3 297 B18R2.80947 CC=CC(=O)Nc1cccc2c1nccc2Cl 11a_100009892510_100000210699 [0,1,1,0,0,0|1,0,1]=4 298 B18R2.80947 CC=CC(=O)Nc1cccc2c1nccc2Cl 1626a_100009892510_100000210699 [0,1,1,0,0,0|1,0,1]=4 299 B18R2.80947 Cc1ccnc2c1cccc2NC(=O)C=CBr 1626a_100011934384_100016273825 [0,1,1,0,0,0|1,0,1]=4 300 B18R2.80947 Cc1ccnc2c1cccc2NC(=O)C=CCl 11a_100011934384_200016279998 [0,1,1,0,0,0|1,0,1]=4 301 B18R2.80947 Cc1ccnc2c1cccc2NC(=O)C=CCl 1626a_100011934384_200016279998 [0,1,1,0,0,0|1,0,1]=4 302 B18R2.80947 Cc1ccnc2c1cccc2NC(=O)C=CI 1626a_100011934384_100016256311 [0,1,1,0,0,0|1,0,1]=4 303 B18R2.145639 C/C=C/CNc1cccc2c1nccc2OC 34a_100000695688_100102629194 [0,1,1,0,0,0|0,0,2]=4 304 B18R2.145639 CC=CCNc1cccc2c1nccc2OC 34a_100000695688_100000070051 [0,1,1,0,0,0|0,0,2]=4 305 B18R2.145777 C/C=C/COc1cccc2c1nc(cc2C)C 34a_100000719286_100102629194 [0,1,1,0,0,0|1,0,1]=4 306 B18R2.145777 C/C=C/COc1cccc2c1nc(cc2C)C 7a_100000719286_100102629194 [0,1,1,0,0,0|1,0,1]=4 307 B18R2.145777 CC=CCOc1cccc2c1nc(cc2C)C 34a_100000719286_100000070051 [0,1,1,0,0,0|1,0,1]=4 308 B18R2.145777 CC=CCOc1cccc2c1nc(cc2C)C 7a_100000719286_100000070051 [0,1,1,0,0,0|1,0,1]=4 309 B18R2.146068 C/C=C/CSc1ccc(c2c1nccc2C)C 62a_100102629194_200010761301 [0,1,1,0,0,0|1,0,1]=4 310 B18R2.146068 C/C=C/CSc1ccc(c2c1nccc2C)C 62a_200010761301_100102629194 [0,1,1,0,0,0|1,0,1]=4 311 B18R2.146068 CC=CCSc1ccc(c2c1nccc2C)C 62a_100000070051_200010761301 [0,1,1,0,0,0|1,0,1]=4 312 B18R2.146068 CC=CCSc1ccc(c2c1nccc2C)C 62a_200010761301_100000070051 [0,1,1,0,0,0|1,0,1]=4 313 B18R2.1456 CNc1ncnc(c1C=O)c2cc(ccn2)C 271570a_100000049243_200012279091 [0,1,1,0,0,0|2,0,0]=4 314 B18R2.1456 COc1cccc(c1C=O)c2cc(ccn2)C 271570a_100000049243_100009814803 [0,1,1,0,0,0|2,0,0]=4 315 B18R2.1456 COc1cccc(c1C=O)c2cc(ccn2)C 271570a_200000077415_100000750283 [0,1,1,0,0,0|2,0,0]=4 316 B18R2.1456 COc1ccnc(c1C#N)c2cc(ccn2)C 271570a_100000049243_100000047147 [0,1,1,0,0,0|1,0,1]=4 317 B18R2.1456 COc1ccnc(c1C=O)c2cc(ccn2)C 271570a_100000049243_100009860067 [0,1,1,0,0,0|1,0,0]=3 318 B18R2.1456 COc1ccnc(c1C=O)c2cc(ccn2)F 271570a_200000087102_100009860067 [0,1,1,0,0,0|2,0,0]=4 319 B18R2.1456 COc1ccnc(c1C=O)c2cccc(c2)C 271570a_100000749446_100009860067 [0,1,1,0,0,0|2,0,0]=4 320 B18R2.3914 CC(=O)c1c(ccnc1c2cc(ccn2)C)N 271570a_100000049243_200010729368 [0,1,1,0,0,0|1,0,1]=4 321 B18R2.28150 Cc1ccnc(c1)c2cc(cc(c2C=O)C)F 271570a_100000049243_200015781908 [0,1,1,0,0,0|2,0,0]=4 322 B18R2.28150 Cc1ccnc(c1)c2nc(cc(c2C#N)C)C 271570a_100000049243_100000188011 [0,1,1,0,0,0|1,0,1]=4 323 B18R3.9713 C=Cc1ccnc2c1ccc3c2nccc3 271570a_100011290941_100010235877 [1,1,0,0,0,0|0,0,1]=3 324 B18R3.9713 CNc1ccnc2c1ccc3c2nccc3 27a_100102657272_100010235877 [1,1,0,0,0,0|0,0,0]=2 325 B18R3.9713 CSc1ccnc2c1ccc3c2nccc3 62a_200000210301_100011068552 [1,1,0,0,0,0|0,0,0]=2 326 B18R3.9713 [13CH3]Sc1ccnc2c1ccc3c2nccc3 62a_200025704644_100011068552 [1,1,0,0,0,0|0,0,0]=2 327 B18R3.47120 Brc1ccncc1C2=Cc3ccccc3C2 271570a_100010239756_100010138639 [0,0,1,1,0,0|2,0,0]=4 328 B18R3.47120 Cc1ccccc1C2=Cc3ccccc3C2 271570a_100010239756_100000210755 [0,0,1,1,0,0|2,0,0]=4 329 B18R3.47120 Cc1ccncc1C2=Cc3ccccc3C2 271570a_100010239756_100000761580 [0,0,1,1,0,0|1,0,0]=3 330 B18R3.47120 Cc1ccncc1c2cc3ccccc3[nH]2 271570a_100010206980_100000761580 [0,0,1,1,0,0|2,0,0]=4 331 B18R3.47120 Cc1ccncc1c2cc3ccccc3[nH]2 271570a_100011935247_100010232065 [0,0,1,1,0,0|2,0,0]=4 332 B18R3.47120 Cc1ccncc1c2cc3ccccc3o2 271570a_100011328764_100000761580 [0,0,1,1,0,0|2,0,0]=4 333 B18R3.47120 Cc1ccncc1c2cc3ccccc3o2 271570a_100011935247_100010159458 [0,0,1,1,0,0|2,0,0]=4 334 B18R3.47120 Cc1ccncc1c2cc3ccccc3s2 271570a_100000034353_100000761580 [0,0,1,1,0,0|2,0,0]=4 335 B18R3.47120 Cc1ccncc1c2cc3ccccc3s2 271570a_100011935247_100009816949 [0,0,1,1,0,0|2,0,0]=4 336 B18R3.47120 Cc1ccnnc1C2=Cc3ccccc3C2 271570a_100010239756_100000089043 [0,0,1,1,0,0|2,0,0]=4 337 B18R3.47120 Cc1ncncc1C2=Cc3ccccc3C2 271570a_100010239756_100009819671 [0,0,1,1,0,0|2,0,0]=4 338 B18R3.47120 Clc1ccncc1C2=Cc3ccccc3C2 271570a_100010239756_100009995489 [0,0,1,1,0,0|2,0,0]=4 339 B18R3.47120 Fc1ccncc1C2=Cc3ccccc3C2 271570a_100010239756_100009820683 [0,0,1,1,0,0|2,0,0]=4 340 B18R3.47120 Nc1ccncc1C2=Cc3ccccc3C2 271570a_100010239756_100000047001 [0,0,1,1,0,0|2,0,0]=4 341 B18R3.5889 Cc1ccnc2c1cccc2N3CC=CC3 27a_100015195280_100010254272 [0,0,1,1,0,0|0,0,2]=4 342 B18R3.5889 Cc1ccnc2c1cccc2c3ccco3 271570a_100000750936_100010254272 [0,0,1,1,0,0|2,0,0]=4 343 B18R3.5889 Cc1ccnc2c1cccc2c3cccs3 271570a_100000742291_100010254272 [0,0,1,1,0,0|2,0,0]=4 344 B18R3.31674 Cc1cccc(c1)c2nccc3c2cc[nH]3 271570a_100000749446_100000086534 [0,0,1,1,0,0|2,0,0]=4 345 B18R3.31674 Cc1cccc(c1)c2nccc3c2cco3 271570a_100000749446_100000041166 [0,0,1,1,0,0|2,0,0]=4 346 B18R3.31674 Cc1cccc(c1)c2nccc3c2ccs3 271570a_100000749446_100000047778 [0,0,1,1,0,0|2,0,0]=4 347 B18R3.31674 Cc1ccnc(c1)c2cccc3c2cc[nH]3 271570a_100000049243_100000685724 [0,0,1,1,0,0|2,0,0]=4 348 B18R3.31674 Cc1ccnc(c1)c2cccc3c2cc[nH]3 271570a_100000069030_100000750283 [0,0,1,1,0,0|2,0,0]=4 349 B18R3.31674 Cc1ccnc(c1)c2cccc3c2cco3 271570a_100000049243_100000756496 [0,0,1,1,0,0|2,0,0]=4 350 B18R3.31674 Cc1ccnc(c1)c2cccc3c2ccs3 271570a_100000049243_100009816950 [0,0,1,1,0,0|2,0,0]=4 351 B18R3.31674 Cc1ccnc(c1)c2cccc3c2ccs3 271570a_100010179806_100000750283 [0,0,1,1,0,0|2,0,0]=4 352 B18R3.31674 Cc1ccnc(c1)c2nc[nH]c-3nccc23 271570a_100000049243_100015350423 [0,0,1,1,0,0|2,0,0]=4 353 B18R3.31674 Cc1ccnc(c1)c2nccc3c2[nH]cc3 271570a_100000049243_100009816714 [0,0,1,1,0,0|1,0,1]=4 354 B18R3.31674 Cc1ccnc(c1)c2nccc3c2cc[nH]3 271570a_100000049243_100000086534 [0,0,1,1,0,0|1,0,0]=3 355 B18R3.31674 Cc1ccnc(c1)c2nccc3c2cco3 271570a_100000049243_100000041166 [0,0,1,1,0,0|1,0,0]=3 356 B18R3.31674 Cc1ccnc(c1)c2nccc3c2ccs3 271570a_100000049243_100000047778 [0,0,1,1,0,0|1,0,0]=3 357 B18R3.31674 Cc1ccnc(c1)c2nccc3c2cn[nH]3 271570a_100000049243_100102525074 [0,0,1,1,0,0|2,0,0]=4 358 B18R3.31674 Cc1ccnc(c1)c2nccc3c2nc[nH]3 271570a_100000049243_100009820035 [0,0,1,1,0,0|2,0,0]=4 359 B18R3.31674 Cc1ccnc(c1)c2nccc3c2scc3 271570a_100000049243_100000117209 [0,0,1,1,0,0|1,0,1]=4 360 B18R3.31674 Cc1ccnc(c1)c2nccn3c2ccc3 271570a_100000049243_100000094558 [0,0,1,1,0,0|1,0,1]=4 361 B18R3.31674 Cc1ccnc(c1)c2nccn3c2ccn3 271570a_100000049243_100009846796 [0,0,1,1,0,0|2,0,0]=4 362 B18R3.31674 Cc1ccnc(c1)c2ncnc3c2cco3 271570a_100000049243_100000094286 [0,0,1,1,0,0|2,0,0]=4 363 B18R3.31674 Cc1ccnc(c1)c2ncnc3c2ccs3 271570a_100000049243_100000183654 [0,0,1,1,0,0|2,0,0]=4 364 B18R3.31674 Fc1ccnc(c1)c2nccc3c2cc[nH]3 271570a_200000087102_100000086534 [0,0,1,1,0,0|2,0,0]=4 365 B18R3.31674 Fc1ccnc(c1)c2nccc3c2cco3 271570a_200000087102_100000041166 [0,0,1,1,0,0|2,0,0]=4 366 B18R3.31674 Fc1ccnc(c1)c2nccc3c2ccs3 271570a_200000087102_100000047778 [0,0,1,1,0,0|2,0,0]=4 367 B18R3.5872 Cc1ccnc2c1ccc(c2)C3=CCCC3 271570a_100000089523_100010132309 [0,0,1,1,0,0|1,0,1]=4 368 B18R3.5872 Cc1ccnc2c1ccc(c2)C3=CCOC3 271570a_100009872500_100010132309 [0,0,1,1,0,0|1,0,1]=4 369 B18R3.5872 Cc1ccnc2c1ccc(c2)C3=COCC3 271570a_100000118173_100010132309 [0,0,1,1,0,0|2,0,0]=4 370 B18R3.5872 Cc1ccnc2c1ccc(c2)c3cc[nH]c3 271570a_100000102155_100010132309 [0,0,1,1,0,0|0,0,2]=4 371 B18R3.5872 Cc1ccnc2c1ccc(c2)c3cc[nH]n3 271570a_100000062414_100010132309 [0,0,1,1,0,0|1,0,1]=4 372 B18R3.5872 Cc1ccnc2c1ccc(c2)c3ccco3 271570a_100000750936_100010132309 [0,0,1,1,0,0|2,0,0]=4 373 B18R3.5872 Cc1ccnc2c1ccc(c2)c3cccs3 271570a_100000742291_100010132309 [0,0,1,1,0,0|2,0,0]=4 374 B18R3.5872 Cc1ccnc2c1ccc(c2)c3ccoc3 271570a_100011218838_100010132309 [0,0,1,1,0,0|1,0,1]=4 375 B18R3.5872 Cc1ccnc2c1ccc(c2)c3ccsc3 271570a_100011934443_100010132309 [0,0,1,1,0,0|1,0,1]=4 376 B18R3.5872 Cc1ccnc2c1ccc(c2)c3cn[nH]c3 271570a_100000041997_100010132309 [0,0,1,1,0,0|1,0,1]=4 377 B18R3.5872 Cc1ccnc2c1ccc(c2)c3cncs3 271570a_100010231675_100010132309 [0,0,1,1,0,0|1,0,1]=4 378 B16R2.4062 Cc1ccccc1Sc2cnccc2C 62a_100000210755_100000761580 [0,0,1,0,1,0|2,0,0]=4 379 B16R2.4062 Cc1ccccc1Sc2cnccc2C 62a_100000761580_100000210755 [0,0,1,0,1,0|2,0,0]=4 380 B16R2.4062 Cc1ccncc1Sc2cnccc2Br 62a_100000761580_100010138639 [0,0,1,0,1,0|2,0,0]=4 381 B16R2.4062 Cc1ccncc1Sc2cnccc2Br 62a_100010138639_100000761580 [0,0,1,0,1,0|2,0,0]=4 382 B16R2.4062 Cc1ccncc1Sc2cnccc2C 62a_100000761580_100000761580 [0,0,1,0,1,0|1,0,0]=3 383 B16R2.4062 Cc1ccncc1Sc2cnccc2Cl 62a_100000761580_100009995489 [0,0,1,0,1,0|2,0,0]=4 384 B16R2.4062 Cc1ccncc1Sc2cnccc2Cl 62a_100009995489_100000761580 [0,0,1,0,1,0|2,0,0]=4 385 B16R2.4062 Cc1ccncc1Sc2cnccc2F 62a_100000761580_100009820683 [0,0,1,0,1,0|2,0,0]=4 386 B16R2.4062 Cc1ccncc1Sc2cnccc2F 62a_100009820683_100000761580 [0,0,1,0,1,0|2,0,0]=4 387 B16R2.4062 Cc1ccncc1Sc2cnccc2N 62a_100000047001_100000761580 [0,0,1,0,1,0|2,0,0]=4 388 B16R2.4062 Cc1ccncc1Sc2cnccc2N 62a_100000761580_100000047001 [0,0,1,0,1,0|2,0,0]=4 389 B16R2.4062 Cc1ccncc1Sc2cncnc2C 62a_100000761580_100009819671 [0,0,1,0,1,0|2,0,0]=4 390 B16R2.4062 Cc1ccncc1Sc2cncnc2C 62a_100009819671_100000761580 [0,0,1,0,1,0|2,0,0]=4 391 B16R2.4062 Cc1ccncc1Sc2nnccc2C 62a_100000761580_100000089043 [0,0,1,0,1,0|2,0,0]=4 392 B16R2.8618 Cc1ccnc(c1)c2ncn(c2C=O)C 271570a_100000049243_200000040309 [0,0,1,0,1,0|2,0,0]=4 393 B18R2.65665 Cc1ccnc(c1C)Sc2nccc(c2C)C 62a_100009847204_100009847204 [0,0,1,0,0,1|0,0,2]=4 394 B18R2.65665 Cc1ccnc(c1C)Sc2nccc(c2F)C 62a_100009817629_100009847204 [0,0,1,0,0,1|1,0,1]=4 395 B18R2.65665 Cc1ccnc(c1C)Sc2nccc(c2F)C 62a_100009847204_100009817629 [0,0,1,0,0,1|1,0,1]=4 396 B18R2.65665 Cc1ccnc(c1C)Sc2nccc(c2N)C 62a_100000763560_100009847204 [0,0,1,0,0,1|1,0,1]=4 397 B18R2.65665 Cc1ccnc(c1C)Sc2nccc(c2N)C 62a_100009847204_100000763560 [0,0,1,0,0,1|1,0,1]=4 398 B18R2.65665 Cc1ccnc(c1C)Sc2nccc(c2O)C 62a_100009847204_100000696282 [0,0,1,0,0,1|1,0,1]=4 399 B18R2.65665 Cc1ccnc(c1F)Sc2nccc(c2F)C 62a_100009817629_100009817629 [0,0,1,0,0,1|2,0,0]=4 400 B18R2.65665 Cc1ccnc(c1N)Sc2nccc(c2F)C 62a_100000763560_100009817629 [0,0,1,0,0,1|2,0,0]=4 401 B18R2.65665 Cc1ccnc(c1N)Sc2nccc(c2F)C 62a_100009817629_100000763560 [0,0,1,0,0,1|2,0,0]=4 402 B18R2.65665 Cc1ccnc(c1N)Sc2nccc(c2N)C 62a_100000763560_100000763560 [0,0,1,0,0,1|2,0,0]=4 403 B18R2.65665 Cc1ccnc(c1N)Sc2nccc(c2O)C 62a_100000763560_100000696282 [0,0,1,0,0,1|2,0,0]=4 404 B18R2.65665 Cc1ccnc(c1O)Sc2nccc(c2F)C 62a_100009817629_100000696282 [0,0,1,0,0,1|2,0,0]=4 405 B18R2.32674 Cc1ccncc1C=NNc2ccccc2C 4a_100000184220_100000685662 [0,0,1,0,0,1|2,0,0]=4 406 B18R2.32674 Cc1ccncc1CNCc2cnccc2C 207a_100011997553_100000685662 [0,0,1,0,0,1|0,0,2]=4 407 B18R2.32674 Cc1ccncc1CNCc2cnccc2C 270004a_100011997553_100000685662 [0,0,1,0,0,1|0,0,2]=4 408 B18R2.32674 Cc1ccncc1COCc2cnccc2C 34a_100011996381_100000690890 [0,0,1,0,0,1|0,0,2]=4 409 B18R2.32674 Cc1ccncc1CSCc2cnccc2C 62a_100000690890_100000690890 [0,0,1,0,0,1|0,0,2]=4 410 B18R2.3477 Cc1ccnc(c1)Sc2cccc(c2C=O)C 62a_100000041122_100000750283 [0,0,1,0,0,1|2,0,0]=4 411 B18R2.3477 Cc1ccnc(c1)Sc2cccc(c2C=O)C 62a_100000750283_100000041122 [0,0,1,0,0,1|2,0,0]=4 412 B18R2.3477 Cc1ccnc(c1)Sc2nccc(c2C#N)C 62a_100000750283_100000691447 [0,0,1,0,0,1|1,0,1]=4 413 B18R2.3477 Cc1ccnc(c1)Sc2nccc(c2C=O)N 62a_100000050385_100000750283 [0,0,1,0,0,1|2,0,0]=4 414 B18R2.3477 Cc1ccnc(c1)Sc2nccc(c2C=O)N 62a_100000750283_100000050385 [0,0,1,0,0,1|2,0,0]=4 415 B18R2.3477 Cc1ccnc(c1)Sc2nccc(c2C=O)O 62a_200010729673_100000750283 [0,0,1,0,0,1|2,0,0]=4