0 B16R2.41276 CCc1cccc(c1C=C2CCCC2)C 271570a_100010378317_100000036235 [0,0,0,0,0,0|4,0,0]=4 1 B16R2.41276 CCc1cccc(c1NC2CCCC2)C 2230a_100000210048_100000179811 [0,0,0,0,0,0|3,0,1]=4 2 B16R2.41276 CCc1cccc(c1NC2CCCC2)C 34a_100000210048_100000179811 [0,0,0,0,0,0|3,0,1]=4 3 B16R2.41276 CCc1cccc(c1NC2CCCC2)C 7a_100000210048_100000179811 [0,0,0,0,0,0|3,0,1]=4 4 B16R2.41276 CCc1cccc(c1Nc2ncns2)C 27a_100000210048_100000693119 [0,0,0,0,0,0|2,1,1]=4 5 B16R2.41276 CCc1cccc(c1Nc2nncs2)C 27a_100000210048_100000739804 [0,0,0,0,0,0|2,1,1]=4 6 B16R2.41276 CCc1cccc(c1Sc2ncco2)C 62a_100000036235_100011787736 [0,0,0,0,0,0|2,0,2]=4 7 B16R2.41276 CCc1cccc(c1Sc2ncco2)C 62a_100011787736_100000036235 [0,0,0,0,0,0|2,0,2]=4 8 B16R2.41276 COc1cccc(c1C=C2CCCC2)Br 271570a_100010378317_100010131421 [0,0,0,0,0,0|4,0,0]=4 9 B16R2.41276 COc1cccc(c1C=C2CCCC2)F 271570a_100010378317_100000041735 [0,0,0,0,0,0|4,0,0]=4 10 B16R2.41276 COc1cccc(c1C=C2CCCC2)N 271570a_100010378317_100000703447 [0,0,0,0,0,0|4,0,0]=4 11 B16R2.41276 COc1cccc(c1C=C2CCCC2)O 271570a_100010378317_100010202623 [0,0,0,0,0,0|4,0,0]=4 12 B16R2.41276 COc1cccc(c1CN2CCCC2)C 270004a_100000188435_100000050978 [0,0,0,0,0,0|4,0,0]=4 13 B16R2.41276 COc1cccc(c1NC2CCCC2)Br 34a_100000708083_100000179811 [0,0,0,0,0,0|3,0,1]=4 14 B16R2.41276 COc1cccc(c1NC2CCCC2)C 2230a_100000758225_100000179811 [0,0,0,0,0,0|2,0,1]=3 15 B16R2.41276 COc1cccc(c1NC2CCCC2)C 34a_100000758225_100000179811 [0,0,0,0,0,0|2,0,1]=3 16 B16R2.41276 COc1cccc(c1NC2CCCC2)Cl 34a_100011309317_100000179811 [0,0,0,0,0,0|3,0,1]=4 17 B16R2.41276 COc1cccc(c1NC2CCCC2)F 34a_100000686744_100000179811 [0,0,0,0,0,0|3,0,1]=4 18 B16R2.41276 COc1cccc(c1NC2CCCC2)O 34a_100012022766_100000179811 [0,0,0,0,0,0|3,0,1]=4 19 B16R2.41276 COc1cccc(c1NC2CCOC2)C 2230a_100000758225_100000731011 [0,0,0,0,0,0|3,0,1]=4 20 B16R2.41276 COc1cccc(c1NC2CCOC2)C 34a_100000758225_100000690089 [0,0,0,0,0,0|3,0,1]=4 21 B16R2.41276 COc1cccc(c1Nc2ncns2)C 27a_100000758225_100000693119 [0,0,0,0,0,0|1,1,1]=3 22 B16R2.41276 COc1cccc(c1Nc2ncns2)O 27a_100012022766_100000693119 [0,0,0,0,0,0|2,1,1]=4 23 B16R2.41276 COc1cccc(c1Nc2nncs2)C 27a_100000758225_100000739804 [0,0,0,0,0,0|1,1,1]=3 24 B16R2.41276 COc1cccc(c1Nc2nncs2)O 27a_100012022766_100000739804 [0,0,0,0,0,0|2,1,1]=4 25 B16R2.41276 COc1cccc(c1OC2CCCC2)C 34a_100011219253_100000179811 [0,0,0,0,0,0|3,0,1]=4 26 B16R2.41276 COc1cccc(c1OC2CCCC2)C 7a_100011219253_100000179811 [0,0,0,0,0,0|3,0,1]=4 27 B16R2.41276 COc1cccc(c1SC2CCCC2)C 62a_100010191535_100000179811 [0,0,0,0,0,0|3,0,1]=4 28 B16R2.41276 COc1cccc(c1SC2CCCC2)C 62a_100011217020_100010191535 [0,0,0,0,0,0|3,0,1]=4 29 B16R2.41276 COc1cccc(c1Sc2c[nH]cn2)C 62a_100000756875_100010191535 [0,0,0,0,0,0|3,0,1]=4 30 B16R2.41276 COc1cccc(c1Sc2c[nH]cn2)C 62a_100010191535_100000756875 [0,0,0,0,0,0|3,0,1]=4 31 B16R2.41276 COc1cccc(c1Sc2c[nH]nn2)C 62a_100009819707_100010191535 [0,0,0,0,0,0|4,0,0]=4 32 B16R2.41276 COc1cccc(c1Sc2c[nH]nn2)C 62a_100010191535_100009819707 [0,0,0,0,0,0|4,0,0]=4 33 B16R2.41276 COc1cccc(c1Sc2cc[nH]n2)C 62a_100000062575_100010191535 [0,0,0,0,0,0|3,0,1]=4 34 B16R2.41276 COc1cccc(c1Sc2cc[nH]n2)C 62a_100010191535_100000062575 [0,0,0,0,0,0|3,0,1]=4 35 B16R2.41276 COc1cccc(c1Sc2ccco2)C 62a_100009814098_100010191535 [0,0,0,0,0,0|2,0,2]=4 36 B16R2.41276 COc1cccc(c1Sc2ccco2)C 62a_100010191535_100009814098 [0,0,0,0,0,0|2,0,2]=4 37 B16R2.41276 COc1cccc(c1Sc2ccon2)C 62a_100009818083_100010191535 [0,0,0,0,0,0|3,0,1]=4 38 B16R2.41276 COc1cccc(c1Sc2ccon2)C 62a_100010191535_100009818083 [0,0,0,0,0,0|3,0,1]=4 39 B16R2.41276 COc1cccc(c1Sc2ccsn2)C 62a_100009818082_100010191535 [0,0,0,0,0,0|3,0,1]=4 40 B16R2.41276 COc1cccc(c1Sc2ccsn2)C 62a_100010191535_100009818082 [0,0,0,0,0,0|3,0,1]=4 41 B16R2.41276 COc1cccc(c1Sc2cnco2)C 62a_100010191535_100020591547 [0,0,0,0,0,0|3,0,1]=4 42 B16R2.41276 COc1cccc(c1Sc2cnco2)C 62a_100020591547_100010191535 [0,0,0,0,0,0|3,0,1]=4 43 B16R2.41276 COc1cccc(c1Sc2cscn2)C 62a_100000751502_100010191535 [0,0,0,0,0,0|3,0,1]=4 44 B16R2.41276 COc1cccc(c1Sc2cscn2)C 62a_100010191535_100000751502 [0,0,0,0,0,0|3,0,1]=4 45 B16R2.41276 COc1cccc(c1Sc2nc[nH]n2)C 62a_100000761765_100010191535 [0,0,0,0,0,0|3,0,1]=4 46 B16R2.41276 COc1cccc(c1Sc2nc[nH]n2)C 62a_100010191535_100000761765 [0,0,0,0,0,0|3,0,1]=4 47 B16R2.41276 COc1cccc(c1Sc2ncc[nH]2)C 62a_100010191535_100025796157 [0,0,0,0,0,0|2,0,2]=4 48 B16R2.41276 COc1cccc(c1Sc2ncc[nH]2)C 62a_100025796157_100010191535 [0,0,0,0,0,0|2,0,2]=4 49 B16R2.41276 COc1cccc(c1Sc2ncco2)Br 62a_100010131421_100011787736 [0,0,0,0,0,0|2,0,2]=4 50 B16R2.41276 COc1cccc(c1Sc2ncco2)Br 62a_100011787736_100010131421 [0,0,0,0,0,0|2,0,2]=4 51 B16R2.41276 COc1cccc(c1Sc2ncco2)C 62a_100010191535_100011787736 [0,0,0,0,0,0|1,0,2]=3 52 B16R2.41276 COc1cccc(c1Sc2ncco2)C 62a_100011787736_100010191535 [0,0,0,0,0,0|1,0,2]=3 53 B16R2.41276 COc1cccc(c1Sc2ncco2)F 62a_100000703912_100011787736 [0,0,0,0,0,0|2,0,2]=4 54 B16R2.41276 COc1cccc(c1Sc2ncco2)F 62a_100011787736_100000703912 [0,0,0,0,0,0|2,0,2]=4 55 B16R2.41276 COc1cccc(c1Sc2ncco2)N 62a_100000703447_100011787736 [0,0,0,0,0,0|2,0,2]=4 56 B16R2.41276 COc1cccc(c1Sc2ncco2)N 62a_100011787736_100000703447 [0,0,0,0,0,0|2,0,2]=4 57 B16R2.41276 COc1cccc(c1Sc2ncco2)O 62a_100011787736_100010202623 [0,0,0,0,0,0|2,0,2]=4 58 B16R2.41276 COc1cccc(c1Sc2nccs2)C 62a_100000211983_100010191535 [0,0,0,0,0,0|1,1,2]=4 59 B16R2.41276 COc1cccc(c1Sc2nccs2)C 62a_100010191535_100000211983 [0,0,0,0,0,0|1,1,2]=4 60 B16R2.41276 COc1cccc(c1Sc2ncns2)C 62a_100000693119_100010191535 [0,0,0,0,0,0|2,1,1]=4 61 B16R2.41276 COc1cccc(c1Sc2ncns2)C 62a_100010191535_100000693119 [0,0,0,0,0,0|2,1,1]=4 62 B16R2.41276 COc1cccc(c1Sc2nncs2)C 62a_100000739804_100010191535 [0,0,0,0,0,0|2,1,1]=4 63 B16R2.41276 COc1cccc(c1Sc2nncs2)C 62a_100010191535_100000739804 [0,0,0,0,0,0|2,1,1]=4 64 B16R2.41276 COc1nccc(c1C=C2CCCC2)C 271570a_100010378317_100012353928 [0,0,0,0,0,0|4,0,0]=4 65 B16R2.41276 COc1nccc(c1Sc2ncco2)C 62a_100011787736_100012353928 [0,0,0,0,0,0|2,0,2]=4 66 B16R2.41276 COc1nccc(c1Sc2ncco2)C 62a_100012353928_100011787736 [0,0,0,0,0,0|2,0,2]=4 67 B15R2.123 COc1ccccc1C=C2CCCC2 271570a_100010378317_100000174000 [1,0,0,0,0,0|3,0,0]=4 68 B15R2.123 COc1ccccc1NC2CCCC2 34a_100000210025_100000179811 [1,0,0,0,0,0|2,0,1]=4 69 B15R2.123 COc1ccccc1Nc2ncns2 27a_100000210025_100000693119 [1,0,0,0,0,0|1,1,1]=4 70 B15R2.123 COc1ccccc1Nc2nncs2 27a_100000210025_100000739804 [1,0,0,0,0,0|1,1,1]=4 71 B15R2.123 COc1ccccc1Sc2ncco2 62a_100000210334_100011787736 [1,0,0,0,0,0|1,0,2]=4 72 B15R2.123 COc1ccccc1Sc2ncco2 62a_100011787736_100000210334 [1,0,0,0,0,0|1,0,2]=4 73 B15R2.15371 Cc1cccc(c1C=C2CCCC2)C 271570a_100010378317_100000033847 [1,0,0,0,0,0|3,0,0]=4 74 B15R2.15371 Cc1cccc(c1C=C2CCCC2)O 271570a_100010378317_100000686692 [1,0,0,0,0,0|3,0,0]=4 75 B15R2.15371 Cc1cccc(c1NC2CCCC2)C 34a_100000185769_100000179811 [1,0,0,0,0,0|2,0,1]=4 76 B15R2.15371 Cc1cccc(c1NC2CCCC2)O 34a_100000743429_100000179811 [1,0,0,0,0,0|2,0,1]=4 77 B15R2.15371 Cc1cccc(c1Nc2ncns2)C 27a_100000185769_100000693119 [1,0,0,0,0,0|1,1,1]=4 78 B15R2.15371 Cc1cccc(c1Nc2ncns2)O 27a_100000743429_100000693119 [1,0,0,0,0,0|1,1,1]=4 79 B15R2.15371 Cc1cccc(c1Nc2nncs2)C 27a_100000185769_100000739804 [1,0,0,0,0,0|1,1,1]=4 80 B15R2.15371 Cc1cccc(c1Nc2nncs2)O 27a_100000743429_100000739804 [1,0,0,0,0,0|1,1,1]=4 81 B15R2.15371 Cc1cccc(c1Sc2ncco2)C 62a_100000033847_100011787736 [1,0,0,0,0,0|1,0,2]=4 82 B15R2.15371 Cc1cccc(c1Sc2ncco2)C 62a_100011787736_100000033847 [1,0,0,0,0,0|1,0,2]=4 83 B15R2.15371 Cc1cccc(c1Sc2ncco2)O 62a_100000686692_100011787736 [1,0,0,0,0,0|1,0,2]=4 84 B15R2.15371 Cc1cccc(c1Sc2ncco2)O 62a_100011787736_100000686692 [1,0,0,0,0,0|1,0,2]=4 85 B17R2.5412 COc1cc(cc(c1NC2CCCC2)C)Br 34a_100000741850_100000179811 [0,1,0,0,0,0|2,0,1]=4 86 B17R2.5412 COc1cc(cc(c1Nc2ncns2)C)Br 27a_100000741850_100000693119 [0,1,0,0,0,0|1,1,1]=4 87 B17R2.5412 COc1cc(cc(c1Nc2nncs2)C)Br 27a_100000741850_100000739804 [0,1,0,0,0,0|1,1,1]=4 88 B17R2.71187 CCc1cccc(c1Nc2nnc(o2)C)C 27a_100000210048_100000708914 [0,1,0,0,0,0|2,0,1]=4 89 B17R2.71187 COc1cccc(c1Nc2nc(ns2)C)C 27a_100000758225_100000709739 [0,1,0,0,0,0|1,1,1]=4 90 B17R2.71187 COc1cccc(c1Nc2nnc(o2)C)C 27a_100000758225_100000708914 [0,1,0,0,0,0|1,0,1]=3 91 B17R2.71187 COc1cccc(c1Nc2nnc(o2)C)O 27a_100012022766_100000708914 [0,1,0,0,0,0|2,0,1]=4 92 B17R2.71187 COc1cccc(c1Nc2nnc(s2)C)C 27a_100000758225_100000686958 [0,1,0,0,0,0|1,1,1]=4 93 B17R2.71187 COc1cccc(c1Nc2nnc(s2)N)C 27a_100000758225_100000738278 [0,1,0,0,0,0|1,1,1]=4 94 B17R2.71187 COc1cccc(c1Nc2noc(n2)C)C 27a_100000758225_100012003639 [0,1,0,0,0,0|2,0,1]=4 95 B17R2.71187 COc1cccc(c1Sc2nnc(o2)C)C 62a_100010191535_100000708914 [0,1,0,0,0,0|2,0,1]=4 96 B17R2.71188 COc1cccc(c1NC2CCCC2=O)C 2230a_100000758225_100000211823 [0,1,0,0,0,0|2,0,1]=4 97 B17R2.71188 COc1cccc(c1NC2CCCC2=O)C 34a_100000758225_100000709159 [0,1,0,0,0,0|2,0,1]=4 98 B17R2.71188 COc1cccc(c1Nc2ncnn2C)C 27a_100000758225_100000732653 [0,1,0,0,0,0|2,0,1]=4 99 B17R2.71190 COc1cccc(c1C=C2CCCC2)CO 271570a_100010378317_100010236476 [0,1,0,0,0,0|3,0,0]=4 100 B17R2.71190 COc1cccc(c1C=C2CCCC2)OC 271570a_100010378317_100000050062 [0,1,0,0,0,0|3,0,0]=4 101 B17R2.71190 COc1cccc(c1NC2CCCC2)CO 34a_100011999522_100000179811 [0,1,0,0,0,0|2,0,1]=4 102 B17R2.71190 COc1cccc(c1NC2CCCC2)OC 2230a_100011218430_100000179811 [0,1,0,0,0,0|2,0,1]=4 103 B17R2.71190 COc1cccc(c1NC2CCCC2)OC 34a_100011218430_100000179811 [0,1,0,0,0,0|2,0,1]=4 104 B17R2.71190 COc1cccc(c1NC2CCCC2)SC 2230a_200012283368_100000179811 [0,1,0,0,0,0|2,0,1]=4 105 B17R2.71190 COc1cccc(c1NC2CCCC2)SC 34a_200012283368_100000179811 [0,1,0,0,0,0|2,0,1]=4 106 B17R2.71190 COc1cccc(c1Nc2ncns2)CO 27a_100011999522_100000693119 [0,1,0,0,0,0|1,1,1]=4 107 B17R2.71190 COc1cccc(c1Nc2ncns2)OC 27a_100011218430_100000693119 [0,1,0,0,0,0|1,1,1]=4 108 B17R2.71190 COc1cccc(c1Nc2ncns2)SC 27a_200012283368_100000693119 [0,1,0,0,0,0|1,1,1]=4 109 B17R2.71190 COc1cccc(c1Nc2nncs2)CO 27a_100011999522_100000739804 [0,1,0,0,0,0|1,1,1]=4 110 B17R2.71190 COc1cccc(c1Nc2nncs2)OC 27a_100011218430_100000739804 [0,1,0,0,0,0|1,1,1]=4 111 B17R2.71190 COc1cccc(c1Nc2nncs2)SC 27a_200012283368_100000739804 [0,1,0,0,0,0|1,1,1]=4 112 B17R2.71190 COc1cccc(c1Sc2ncco2)CO 62a_100010236476_100011787736 [0,1,0,0,0,0|1,0,2]=4 113 B17R2.71190 COc1cccc(c1Sc2ncco2)CO 62a_100011787736_100010236476 [0,1,0,0,0,0|1,0,2]=4 114 B17R2.71190 COc1cccc(c1Sc2ncco2)OC 62a_100000690108_100011787736 [0,1,0,0,0,0|1,0,2]=4 115 B17R2.71190 COc1cccc(c1Sc2ncco2)OC 62a_100011787736_100000690108 [0,1,0,0,0,0|1,0,2]=4 116 B15R1.2560 CC#CC(=O)Nc1c(cccc1OC)C 22a_100000758225_100000763181 [0,0,1,0,0,0|1,0,2]=4 117 B15R1.2560 CC=CC(=O)Nc1c(cccc1OC)C 11a_100000758225_100000210699 [0,0,1,0,0,0|1,0,2]=4 118 B15R1.2560 CC=CC(=O)Nc1c(cccc1OC)C 1626a_100000758225_100000210699 [0,0,1,0,0,0|1,0,2]=4 119 B15R1.2560 CC=CC(=O)Nc1c(cccc1OC)C 22a_100000758225_100000210699 [0,0,1,0,0,0|1,0,2]=4 120 B15R1.2560 CCCC(=O)Nc1c(cccc1CC)C 11a_100000210048_100000211992 [0,0,1,0,0,0|2,0,1]=4 121 B15R1.2560 CCCC(=O)Nc1c(cccc1CC)C 1626a_100000210048_100000211992 [0,0,1,0,0,0|2,0,1]=4 122 B15R1.2560 CCCC(=O)Nc1c(cccc1CC)C 22a_100000210048_100000211992 [0,0,1,0,0,0|2,0,1]=4 123 B15R1.2560 CCCC(=O)Nc1c(cccc1OC)Br 11a_100000708083_100000211992 [0,0,1,0,0,0|2,0,1]=4 124 B15R1.2560 CCCC(=O)Nc1c(cccc1OC)Br 1626a_100000708083_100000211992 [0,0,1,0,0,0|2,0,1]=4 125 B15R1.2560 CCCC(=O)Nc1c(cccc1OC)Br 22a_100000708083_100000211992 [0,0,1,0,0,0|2,0,1]=4 126 B15R1.2560 CCCC(=O)Nc1c(cccc1OC)C 11a_100000758225_100000211992 [0,0,1,0,0,0|1,0,1]=3 127 B15R1.2560 CCCC(=O)Nc1c(cccc1OC)C 1626a_100000758225_100000211992 [0,0,1,0,0,0|1,0,1]=3 128 B15R1.2560 CCCC(=O)Nc1c(cccc1OC)C 22a_100000758225_100000211992 [0,0,1,0,0,0|1,0,1]=3 129 B15R1.2560 CCCC(=O)Nc1c(cccc1OC)Cl 11a_100011309317_100000211992 [0,0,1,0,0,0|2,0,1]=4 130 B15R1.2560 CCCC(=O)Nc1c(cccc1OC)Cl 1626a_100011309317_100000211992 [0,0,1,0,0,0|2,0,1]=4 131 B15R1.2560 CCCC(=O)Nc1c(cccc1OC)Cl 22a_100011309317_100000211992 [0,0,1,0,0,0|2,0,1]=4 132 B15R1.2560 CCCC(=O)Nc1c(cccc1OC)F 11a_100000686744_100000211992 [0,0,1,0,0,0|2,0,1]=4 133 B15R1.2560 CCCC(=O)Nc1c(cccc1OC)F 1626a_100000686744_100000211992 [0,0,1,0,0,0|2,0,1]=4 134 B15R1.2560 CCCC(=O)Nc1c(cccc1OC)F 22a_100000686744_100000211992 [0,0,1,0,0,0|2,0,1]=4 135 B15R1.2560 CCCC(=O)Nc1c(cccc1OC)I 11a_100010253897_100000211992 [0,0,1,0,0,0|2,0,1]=4 136 B15R1.2560 CCCC(=O)Nc1c(cccc1OC)I 1626a_100010253897_100000211992 [0,0,1,0,0,0|2,0,1]=4 137 B15R1.2560 CCCC(=O)Nc1c(cccc1OC)O 22a_100012022766_100000211992 [0,0,1,0,0,0|2,0,1]=4 138 B15R1.2560 CCCC(=O)Nc1c(cccc1OC)O 527a_100012022766_100000211992 [0,0,1,0,0,0|2,0,1]=4 139 B15R1.2560 CCCC(C)Nc1c(cccc1OC)C 2230a_100000758225_100000766640 [0,0,1,0,0,0|2,0,1]=4 140 B15R1.2560 CCCC(C)Nc1c(cccc1OC)C 34a_100000758225_100000766640 [0,0,1,0,0,0|2,0,1]=4 141 B15R1.2560 CCNC(=O)Nc1c(cccc1CC)C 2430a_100000210048_100015525214 [0,0,1,0,0,0|1,0,2]=4 142 B15R1.2560 CCNC(=O)Nc1c(cccc1OC)C 2430a_100000758225_100015525214 [0,0,1,0,0,0|0,0,2]=3 143 B15R1.2560 CCNC(=O)Nc1c(cccc1OC)Cl 2430a_100011309317_100015525214 [0,0,1,0,0,0|1,0,2]=4 144 B15R1.2560 CCNC(=O)Nc1c(cccc1OC)F 2430a_100000686744_100015525214 [0,0,1,0,0,0|1,0,2]=4 145 B15R1.2560 CCNC(=O)Nc1c(cccc1OC)I 512a_100010253897_100015525214 [0,0,1,0,0,0|1,0,2]=4 146 B15R1.2560 CCNC(=O)Nc1c(cccc1OC)O 2430a_100012022766_100015525214 [0,0,1,0,0,0|1,0,2]=4 147 B15R1.2560 COCC(=O)Nc1c(cccc1OC)C 11a_100000758225_100000210968 [0,0,1,0,0,0|2,0,1]=4 148 B15R1.2560 COCC(=O)Nc1c(cccc1OC)C 1626a_100000758225_100000210968 [0,0,1,0,0,0|2,0,1]=4 149 B15R1.2560 COCC(=O)Nc1c(cccc1OC)C 22a_100000758225_100000210968 [0,0,1,0,0,0|2,0,1]=4 150 B15R1.2560 COc1cccc(c1NC(=O)CCO)C 22a_100000758225_100011216618 [0,0,1,0,0,0|2,0,1]=4 151 B15R1.2560 COc1cccc(c1NC(=O)CSC)C 11a_100000758225_100000184570 [0,0,1,0,0,0|2,0,1]=4 152 B15R1.2560 COc1cccc(c1NC(=O)CSC)C 1626a_100000758225_100000184570 [0,0,1,0,0,0|2,0,1]=4 153 B15R1.2560 COc1cccc(c1NC(=O)CSC)C 22a_100000758225_100000184570 [0,0,1,0,0,0|2,0,1]=4 154 B15R1.9184 CCCCCNc1c(cccc1OC)C 2230a_100000758225_100000210326 [0,0,1,0,0,0|2,0,1]=4 155 B15R1.9184 CCCCCNc1c(cccc1OC)C 34a_100000758225_100000718602 [0,0,1,0,0,0|2,0,1]=4 156 B15R1.9184 CCc1cccc(c1NCCCCO)C 2230a_100000210048_100000210776 [0,0,1,0,0,0|2,0,1]=4 157 B15R1.9184 CCc1cccc(c1NCCCCO)C 34a_100000210048_100011216708 [0,0,1,0,0,0|2,0,1]=4 158 B15R1.9184 CCc1cccc(c1NCCCCO)C 7a_100000210048_100000210776 [0,0,1,0,0,0|2,0,1]=4 159 B15R1.9184 COc1cccc(c1C=NNCCO)C 4a_100000210001_100000050978 [0,0,1,0,0,0|2,0,1]=4 160 B15R1.9184 COc1cccc(c1CNCCCO)C 207a_100000182051_100000050978 [0,0,1,0,0,0|3,0,0]=4 161 B15R1.9184 COc1cccc(c1CNCCCO)C 270004a_100000182051_100000050978 [0,0,1,0,0,0|3,0,0]=4 162 B15R1.9184 COc1cccc(c1NCC#CCO)C 2230a_100000758225_200000047223 [0,0,1,0,0,0|1,0,2]=4 163 B15R1.9184 COc1cccc(c1NCC#CCO)C 34a_100000758225_200000047223 [0,0,1,0,0,0|1,0,2]=4 164 B15R1.9184 COc1cccc(c1NCCCCF)C 2230a_100000758225_100000729493 [0,0,1,0,0,0|2,0,1]=4 165 B15R1.9184 COc1cccc(c1NCCCCF)C 34a_100000758225_100000729493 [0,0,1,0,0,0|2,0,1]=4 166 B15R1.9184 COc1cccc(c1NCCCCO)Br 34a_100000708083_100011216708 [0,0,1,0,0,0|2,0,1]=4 167 B15R1.9184 COc1cccc(c1NCCCCO)C 2230a_100000758225_100000210776 [0,0,1,0,0,0|1,0,1]=3 168 B15R1.9184 COc1cccc(c1NCCCCO)C 34a_100000758225_100011216708 [0,0,1,0,0,0|1,0,1]=3 169 B15R1.9184 COc1cccc(c1NCCCCO)Cl 34a_100011309317_100011216708 [0,0,1,0,0,0|2,0,1]=4 170 B15R1.9184 COc1cccc(c1NCCCCO)F 34a_100000686744_100011216708 [0,0,1,0,0,0|2,0,1]=4 171 B15R1.9184 COc1cccc(c1NCCCCO)O 34a_100012022766_100011216708 [0,0,1,0,0,0|2,0,1]=4 172 B15R1.9184 COc1cccc(c1OCCCCO)C 34a_100011219253_100011216708 [0,0,1,0,0,0|2,0,1]=4 173 B15R1.9184 COc1cccc(c1OCCCCO)C 7a_100011219253_100000210776 [0,0,1,0,0,0|2,0,1]=4 174 B15R1.9184 COc1cccc(c1SCCCCO)C 62a_100000210776_100010191535 [0,0,1,0,0,0|2,0,1]=4 175 B15R1.9184 COc1cccc(c1SCCCCO)C 62a_100010191535_100000210776 [0,0,1,0,0,0|2,0,1]=4 176 B15R2.2453 CCc1cccc(c1NC2CCC2)C 34a_100000210048_100000749161 [0,0,0,0,1,0|2,0,1]=4 177 B15R2.2453 COc1cccc(c1NC2CCC2)Br 34a_100000708083_100000749161 [0,0,0,0,1,0|2,0,1]=4 178 B15R2.2453 COc1cccc(c1NC2CCC2)C 34a_100000758225_100000749161 [0,0,0,0,1,0|1,0,1]=3 179 B15R2.2453 COc1cccc(c1NC2CCC2)Cl 34a_100011309317_100000749161 [0,0,0,0,1,0|2,0,1]=4 180 B15R2.2453 COc1cccc(c1NC2CCC2)F 34a_100000686744_100000749161 [0,0,0,0,1,0|2,0,1]=4 181 B15R2.2453 COc1cccc(c1NC2CCC2)O 34a_100012022766_100000749161 [0,0,0,0,1,0|2,0,1]=4 182 B15R2.2453 COc1cccc(c1NC2COC2)C 34a_100000758225_100009818527 [0,0,0,0,1,0|2,0,1]=4 183 B15R2.2453 COc1cccc(c1OC2CCC2)C 34a_100011219253_100000749161 [0,0,0,0,1,0|2,0,1]=4 184 B15R2.2453 COc1cccc(c1SC2CCC2)C 62a_100010191535_100000749161 [0,0,0,0,1,0|2,0,1]=4 185 B15R2.2493 CCc1cccc(c1C2=CCCC2)C 271570a_100000089523_100000036235 [0,0,0,0,1,0|3,0,0]=4 186 B15R2.2493 COc1cccc(c1C2=CCCC2)Br 271570a_100000089523_100010131421 [0,0,0,0,1,0|3,0,0]=4 187 B15R2.2493 COc1cccc(c1C2=CCCC2)F 271570a_100000089523_100000041735 [0,0,0,0,1,0|3,0,0]=4 188 B15R2.2493 COc1cccc(c1C2=CCCC2)N 271570a_100000089523_100000703447 [0,0,0,0,1,0|3,0,0]=4 189 B15R2.2493 COc1cccc(c1C2=CCCC2)O 271570a_100000089523_100010202623 [0,0,0,0,1,0|3,0,0]=4 190 B15R2.2493 COc1cccc(c1c2ncco2)Cl 271570a_100000049456_100011787736 [0,0,0,0,1,0|1,0,2]=4 191 B15R2.2493 COc1cccc(c1c2ncco2)F 271570a_100010082979_100011787736 [0,0,0,0,1,0|1,0,2]=4 192 B15R2.2493 COc1nccc(c1C2=CCCC2)C 271570a_100000089523_100012353928 [0,0,0,0,1,0|3,0,0]=4 193 B15R2.2493 COc1nccc(c1c2ncco2)C 271570a_100010082537_100011787736 [0,0,0,0,1,0|1,0,2]=4 194 B17R2.1791 CCc1cccc(c1NC2CCCOC2)C 34a_100000210048_100000693364 [0,0,0,0,0,1|2,0,1]=4 195 B17R2.1791 CCc1cccc(c1NC2CCCOC2)C 7a_100000210048_100000693364 [0,0,0,0,0,1|2,0,1]=4 196 B17R2.1791 COc1cccc(c1CN2CCCOC2)C 270004a_100000131196_100000050978 [0,0,0,0,0,1|3,0,0]=4 197 B17R2.1791 COc1cccc(c1NC2C=CCCC2)C 2230a_100000758225_100000751183 [0,0,0,0,0,1|2,0,1]=4 198 B17R2.1791 COc1cccc(c1NC2CCCCC2)C 34a_100000758225_100000210327 [0,0,0,0,0,1|2,0,1]=4 199 B17R2.1791 COc1cccc(c1NC2CCCOC2)Br 34a_100000708083_100000693364 [0,0,0,0,0,1|2,0,1]=4 200 B17R2.1791 COc1cccc(c1NC2CCCOC2)C 34a_100000758225_100000693364 [0,0,0,0,0,1|1,0,1]=3 201 B17R2.1791 COc1cccc(c1NC2CCCOC2)Cl 34a_100011309317_100000693364 [0,0,0,0,0,1|2,0,1]=4 202 B17R2.1791 COc1cccc(c1NC2CCCOC2)F 34a_100000686744_100000693364 [0,0,0,0,0,1|2,0,1]=4 203 B17R2.1791 COc1cccc(c1NC2CCCOC2)O 34a_100012022766_100000693364 [0,0,0,0,0,1|2,0,1]=4 204 B17R2.1791 COc1cccc(c1NC2CCSCC2)C 34a_100000758225_100000069128 [0,0,0,0,0,1|2,0,1]=4 205 B17R2.1791 COc1cccc(c1Nc2cccnn2)C 27a_100000758225_100016991348 [0,0,0,0,0,1|1,0,2]=4 206 B17R2.1791 COc1cccc(c1Nc2ccncn2)C 27a_100000758225_100000703185 [0,0,0,0,0,1|1,0,2]=4 207 B17R2.1791 COc1cccc(c1Nc2cnccn2)C 27a_100000758225_100000211759 [0,0,0,0,0,1|1,0,2]=4 208 B17R2.1791 COc1cccc(c1Nc2ncccn2)C 27a_100000758225_100000211032 [0,0,0,0,0,1|1,0,2]=4 209 B17R2.1791 COc1cccc(c1OC2CCCOC2)C 34a_100011219253_100000693364 [0,0,0,0,0,1|2,0,1]=4 210 B17R2.1791 COc1cccc(c1OC2CCCOC2)C 7a_100011219253_100000693364 [0,0,0,0,0,1|2,0,1]=4 211 B17R2.1791 COc1cccc(c1SC2CCCOC2)C 62a_100010191535_100000693364 [0,0,0,0,0,1|2,0,1]=4 212 B17R2.71328 CCc1cccc(c1NCC2=NCCN2)C 34a_100000210048_100000737910 [0,0,0,0,0,1|2,0,0]=3 213 B17R2.71328 CCc1cccc(c1NCC2=NCCN2)C 7a_100000210048_100000737910 [0,0,0,0,0,1|2,0,0]=3 214 B17R2.71328 CCc1cccc(c1NCC2CCCO2)C 2230a_100000210048_100000203698 [0,0,0,0,0,1|2,0,1]=4 215 B17R2.71328 CCc1cccc(c1NCC2CCCO2)C 7a_100000210048_100000203698 [0,0,0,0,0,1|2,0,1]=4 216 B17R2.71328 CCc1cccc(c1NCC2OCCO2)C 2230a_100000210048_100000755774 [0,0,0,0,0,1|2,0,1]=4 217 B17R2.71328 CCc1cccc(c1NCC2OCCO2)C 34a_100000210048_100000755774 [0,0,0,0,0,1|2,0,1]=4 218 B17R2.71328 CCc1cccc(c1NCC2OCCO2)C 7a_100000210048_100000755774 [0,0,0,0,0,1|2,0,1]=4 219 B17R2.71328 CCc1cccc(c1NCc2ncco2)C 2230a_100000210048_103436540062 [0,0,0,0,0,1|1,0,2]=4 220 B17R2.71328 CCc1cccc(c1NCc2ncco2)C 34a_100000210048_103436540062 [0,0,0,0,0,1|1,0,2]=4 221 B17R2.71328 CCc1cccc(c1NCc2ncco2)C 7a_100000210048_103436540062 [0,0,0,0,0,1|1,0,2]=4 222 B17R2.71328 CCc1cccc(c1NN=C2CCCC2)C 4a_100000726828_100000210133 [0,0,0,0,0,1|3,0,0]=4 223 B17R2.71328 CCc1cccc(c1OCC2=NCCN2)C 34a_100000034007_100000737910 [0,0,0,0,0,1|3,0,0]=4 224 B17R2.71328 CCc1cccc(c1OCC2=NCCN2)C 7a_100000034007_100000737910 [0,0,0,0,0,1|3,0,0]=4 225 B17R2.71328 CCc1cccc(c1SCC2=NCCN2)C 62a_100000036235_100000737910 [0,0,0,0,0,1|3,0,0]=4 226 B17R2.71328 CCc1cccc(c1SCC2=NCCN2)C 62a_100000737910_100000036235 [0,0,0,0,0,1|3,0,0]=4 227 B17R2.71328 COc1cccc(c1CNC2CCCC2)C 207a_100000211070_100000050978 [0,0,0,0,0,1|2,0,1]=4 228 B17R2.71328 COc1cccc(c1CNC2CCCC2)C 270004a_100000211070_100000050978 [0,0,0,0,0,1|2,0,1]=4 229 B17R2.71328 COc1cccc(c1NCC2=NCCN2)Br 34a_100000708083_100000737910 [0,0,0,0,0,1|2,0,0]=3 230 B17R2.71328 COc1cccc(c1NCC2=NCCN2)C 34a_100000758225_100000737910 [0,0,0,0,0,1|1,0,0]=2 231 B17R2.71328 COc1cccc(c1NCC2=NCCN2)Cl 34a_100011309317_100000737910 [0,0,0,0,0,1|2,0,0]=3 232 B17R2.71328 COc1cccc(c1NCC2=NCCN2)F 34a_100000686744_100000737910 [0,0,0,0,0,1|2,0,0]=3 233 B17R2.71328 COc1cccc(c1NCC2=NCCN2)O 34a_100012022766_100000737910 [0,0,0,0,0,1|2,0,0]=3 234 B17R2.71328 COc1cccc(c1NCC2CCCC2)C 2230a_100000758225_100000740388 [0,0,0,0,0,1|2,0,1]=4 235 B17R2.71328 COc1cccc(c1NCC2CCCC2)C 34a_100000758225_100000740388 [0,0,0,0,0,1|2,0,1]=4 236 B17R2.71328 COc1cccc(c1NCC2CCCO2)C 2230a_100000758225_100000203698 [0,0,0,0,0,1|1,0,1]=3 237 B17R2.71328 COc1cccc(c1NCC2OCCO2)Br 34a_100000708083_100000755774 [0,0,0,0,0,1|2,0,1]=4 238 B17R2.71328 COc1cccc(c1NCC2OCCO2)C 2230a_100000758225_100000755774 [0,0,0,0,0,1|1,0,1]=3 239 B17R2.71328 COc1cccc(c1NCC2OCCO2)C 34a_100000758225_100000755774 [0,0,0,0,0,1|1,0,1]=3 240 B17R2.71328 COc1cccc(c1NCC2OCCO2)Cl 34a_100011309317_100000755774 [0,0,0,0,0,1|2,0,1]=4 241 B17R2.71328 COc1cccc(c1NCC2OCCO2)F 34a_100000686744_100000755774 [0,0,0,0,0,1|2,0,1]=4 242 B17R2.71328 COc1cccc(c1NCC2OCCO2)O 34a_100012022766_100000755774 [0,0,0,0,0,1|2,0,1]=4 243 B17R2.71328 COc1cccc(c1NCc2c[nH]cn2)C 2230a_100000758225_100000707719 [0,0,0,0,0,1|2,0,1]=4 244 B17R2.71328 COc1cccc(c1NCc2c[nH]cn2)C 34a_100000758225_100000707719 [0,0,0,0,0,1|2,0,1]=4 245 B17R2.71328 COc1cccc(c1NCc2cc[nH]n2)C 207a_100000758225_100000738523 [0,0,0,0,0,1|2,0,1]=4 246 B17R2.71328 COc1cccc(c1NCc2ccco2)C 207a_100000758225_100000186105 [0,0,0,0,0,1|1,0,2]=4 247 B17R2.71328 COc1cccc(c1NCc2ccco2)C 270302a_100000758225_100000186105 [0,0,0,0,0,1|1,0,2]=4 248 B17R2.71328 COc1cccc(c1NCc2ccon2)C 2230a_100000758225_100000234950 [0,0,0,0,0,1|2,0,1]=4 249 B17R2.71328 COc1cccc(c1NCc2ccon2)C 34a_100000758225_100000234950 [0,0,0,0,0,1|2,0,1]=4 250 B17R2.71328 COc1cccc(c1NCc2cscn2)C 207a_100000758225_100000743575 [0,0,0,0,0,1|2,0,1]=4 251 B17R2.71328 COc1cccc(c1NCc2cscn2)C 2230a_100000758225_100000205941 [0,0,0,0,0,1|2,0,1]=4 252 B17R2.71328 COc1cccc(c1NCc2cscn2)C 270302a_100000758225_100000743575 [0,0,0,0,0,1|2,0,1]=4 253 B17R2.71328 COc1cccc(c1NCc2cscn2)C 34a_100000758225_100000205941 [0,0,0,0,0,1|2,0,1]=4 254 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)C 207a_100000758225_100000743867 [0,0,0,0,0,1|1,0,2]=4 255 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)C 2230a_100000758225_100016991755 [0,0,0,0,0,1|1,0,2]=4 256 B17R2.71328 COc1cccc(c1NCc2ncc[nH]2)C 34a_100000758225_100016991755 [0,0,0,0,0,1|1,0,2]=4 257 B17R2.71328 COc1cccc(c1NCc2ncco2)Br 34a_100000708083_103436540062 [0,0,0,0,0,1|1,0,2]=4 258 B17R2.71328 COc1cccc(c1NCc2ncco2)C 2230a_100000758225_103436540062 [0,0,0,0,0,1|0,0,2]=3 259 B17R2.71328 COc1cccc(c1NCc2ncco2)C 34a_100000758225_103436540062 [0,0,0,0,0,1|0,0,2]=3 260 B17R2.71328 COc1cccc(c1NCc2ncco2)Cl 34a_100011309317_103436540062 [0,0,0,0,0,1|1,0,2]=4 261 B17R2.71328 COc1cccc(c1NCc2ncco2)F 34a_100000686744_103436540062 [0,0,0,0,0,1|1,0,2]=4 262 B17R2.71328 COc1cccc(c1NCc2ncco2)O 34a_100012022766_103436540062 [0,0,0,0,0,1|1,0,2]=4 263 B17R2.71328 COc1cccc(c1NCc2nccs2)C 207a_100000758225_100000750902 [0,0,0,0,0,1|0,1,2]=4 264 B17R2.71328 COc1cccc(c1NCc2nccs2)C 2230a_100000758225_100015184050 [0,0,0,0,0,1|0,1,2]=4 265 B17R2.71328 COc1cccc(c1NCc2nccs2)C 270302a_100000758225_100000750902 [0,0,0,0,0,1|0,1,2]=4 266 B17R2.71328 COc1cccc(c1NCc2nccs2)C 34a_100000758225_100015184050 [0,0,0,0,0,1|0,1,2]=4 267 B17R2.71328 COc1cccc(c1NCc2ncon2)C 34a_100000758225_100000233494 [0,0,0,0,0,1|2,0,1]=4 268 B17R2.71328 COc1cccc(c1NCc2nnn[nH]2)C 34a_100000758225_100000765167 [0,0,0,0,0,1|3,0,0]=4 269 B17R2.71328 COc1cccc(c1OCC2=NCCN2)Br 34a_100000686866_100000737910 [0,0,0,0,0,1|3,0,0]=4 270 B17R2.71328 COc1cccc(c1OCC2=NCCN2)C 34a_100011219253_100000737910 [0,0,0,0,0,1|2,0,0]=3 271 B17R2.71328 COc1cccc(c1OCC2=NCCN2)C 7a_100011219253_100000737910 [0,0,0,0,0,1|2,0,0]=3 272 B17R2.71328 COc1cccc(c1OCC2=NCCN2)Cl 34a_100009851661_100000737910 [0,0,0,0,0,1|3,0,0]=4 273 B17R2.71328 COc1cccc(c1OCC2=NCCN2)Cl 7a_100009851661_100000737910 [0,0,0,0,0,1|3,0,0]=4 274 B17R2.71328 COc1cccc(c1OCC2=NCCN2)F 34a_100000036725_100000737910 [0,0,0,0,0,1|3,0,0]=4 275 B17R2.71328 COc1cccc(c1OCC2=NCCN2)F 7a_100000036725_100000737910 [0,0,0,0,0,1|3,0,0]=4 276 B17R2.71328 COc1cccc(c1OCC2=NCCN2)N 34a_100000123586_100000737910 [0,0,0,0,0,1|3,0,0]=4 277 B17R2.71328 COc1cccc(c1OCC2CCCO2)C 7a_100011219253_100000203698 [0,0,0,0,0,1|2,0,1]=4 278 B17R2.71328 COc1cccc(c1OCC2OCCO2)C 34a_100011219253_100000755774 [0,0,0,0,0,1|2,0,1]=4 279 B17R2.71328 COc1cccc(c1OCC2OCCO2)C 7a_100011219253_100000755774 [0,0,0,0,0,1|2,0,1]=4 280 B17R2.71328 COc1cccc(c1OCc2ncco2)C 34a_100011219253_103436540062 [0,0,0,0,0,1|1,0,2]=4 281 B17R2.71328 COc1cccc(c1OCc2ncco2)C 7a_100011219253_103436540062 [0,0,0,0,0,1|1,0,2]=4 282 B17R2.71328 COc1cccc(c1SCC2=NCCN2)Br 62a_100000737910_100010131421 [0,0,0,0,0,1|3,0,0]=4 283 B17R2.71328 COc1cccc(c1SCC2=NCCN2)Br 62a_100010131421_100000737910 [0,0,0,0,0,1|3,0,0]=4 284 B17R2.71328 COc1cccc(c1SCC2=NCCN2)C 62a_100000737910_100010191535 [0,0,0,0,0,1|2,0,0]=3 285 B17R2.71328 COc1cccc(c1SCC2=NCCN2)C 62a_100010191535_100000737910 [0,0,0,0,0,1|2,0,0]=3 286 B17R2.71328 COc1cccc(c1SCC2=NCCN2)F 62a_100000703912_100000737910 [0,0,0,0,0,1|3,0,0]=4 287 B17R2.71328 COc1cccc(c1SCC2=NCCN2)F 62a_100000737910_100000703912 [0,0,0,0,0,1|3,0,0]=4 288 B17R2.71328 COc1cccc(c1SCC2=NCCN2)N 62a_100000703447_100000737910 [0,0,0,0,0,1|3,0,0]=4 289 B17R2.71328 COc1cccc(c1SCC2=NCCN2)N 62a_100000737910_100000703447 [0,0,0,0,0,1|3,0,0]=4 290 B17R2.71328 COc1cccc(c1SCC2=NCCN2)O 62a_100000737910_100010202623 [0,0,0,0,0,1|3,0,0]=4 291 B17R2.71328 COc1cccc(c1SCC2CCCO2)C 62a_100000203698_100010191535 [0,0,0,0,0,1|2,0,1]=4 292 B17R2.71328 COc1cccc(c1SCC2CCCO2)C 62a_100010191535_100000203698 [0,0,0,0,0,1|2,0,1]=4 293 B17R2.71328 COc1cccc(c1SCC2OCCO2)C 62a_100000755774_100010191535 [0,0,0,0,0,1|2,0,1]=4 294 B17R2.71328 COc1cccc(c1SCC2OCCO2)C 62a_100010191535_100000755774 [0,0,0,0,0,1|2,0,1]=4 295 B17R2.71328 COc1cccc(c1SCc2ncco2)C 62a_100010191535_103436540062 [0,0,0,0,0,1|1,0,2]=4 296 B17R2.71328 COc1cccc(c1SCc2ncco2)C 62a_103436540062_100010191535 [0,0,0,0,0,1|1,0,2]=4 297 B17R2.71328 COc1nccc(c1SCC2=NCCN2)C 62a_100000737910_100012353928 [0,0,0,0,0,1|3,0,0]=4 298 B17R2.71328 COc1nccc(c1SCC2=NCCN2)C 62a_100012353928_100000737910 [0,0,0,0,0,1|3,0,0]=4 299 B17R2.71328 Cc1cccc(c1NCC2=NCCN2)CO 34a_100011215590_100000737910 [0,0,0,0,0,1|3,0,0]=4 300 B14R1.2178 CCC(=O)Nc1c(cccc1CC)C 11a_100000210048_100000210414 [1,0,1,0,0,0|1,0,1]=4 301 B14R1.2178 CCC(=O)Nc1c(cccc1CC)C 1626a_100000210048_100000210414 [1,0,1,0,0,0|1,0,1]=4 302 B14R1.2178 CCC(=O)Nc1c(cccc1CC)C 22a_100000210048_100000210414 [1,0,1,0,0,0|1,0,1]=4 303 B14R1.2178 CCC(=O)Nc1c(cccc1OC)Br 11a_100000708083_100000210414 [1,0,1,0,0,0|1,0,1]=4 304 B14R1.2178 CCC(=O)Nc1c(cccc1OC)Br 1626a_100000708083_100000210414 [1,0,1,0,0,0|1,0,1]=4 305 B14R1.2178 CCC(=O)Nc1c(cccc1OC)Br 22a_100000708083_100000210414 [1,0,1,0,0,0|1,0,1]=4 306 B14R1.2178 CCC(=O)Nc1c(cccc1OC)C 11a_100000758225_100000210414 [1,0,1,0,0,0|0,0,1]=3 307 B14R1.2178 CCC(=O)Nc1c(cccc1OC)C 1626a_100000758225_100000210414 [1,0,1,0,0,0|0,0,1]=3 308 B14R1.2178 CCC(=O)Nc1c(cccc1OC)C 22a_100000758225_100000210414 [1,0,1,0,0,0|0,0,1]=3 309 B14R1.2178 CCC(=O)Nc1c(cccc1OC)Cl 11a_100011309317_100000210414 [1,0,1,0,0,0|1,0,1]=4 310 B14R1.2178 CCC(=O)Nc1c(cccc1OC)Cl 1626a_100011309317_100000210414 [1,0,1,0,0,0|1,0,1]=4 311 B14R1.2178 CCC(=O)Nc1c(cccc1OC)Cl 22a_100011309317_100000210414 [1,0,1,0,0,0|1,0,1]=4 312 B14R1.2178 CCC(=O)Nc1c(cccc1OC)F 11a_100000686744_100000210414 [1,0,1,0,0,0|1,0,1]=4 313 B14R1.2178 CCC(=O)Nc1c(cccc1OC)F 1626a_100000686744_100000210414 [1,0,1,0,0,0|1,0,1]=4 314 B14R1.2178 CCC(=O)Nc1c(cccc1OC)F 22a_100000686744_100000210414 [1,0,1,0,0,0|1,0,1]=4 315 B14R1.2178 CCC(=O)Nc1c(cccc1OC)I 11a_100010253897_100000210414 [1,0,1,0,0,0|1,0,1]=4 316 B14R1.2178 CCC(=O)Nc1c(cccc1OC)I 1626a_100010253897_100000210414 [1,0,1,0,0,0|1,0,1]=4 317 B14R1.2178 CCC(=O)Nc1c(cccc1OC)O 22a_100012022766_100000210414 [1,0,1,0,0,0|1,0,1]=4 318 B14R1.2178 CCC(=O)Nc1c(cccc1OC)O 527a_100012022766_100000210414 [1,0,1,0,0,0|1,0,1]=4 319 B14R1.2178 CCC(C)Nc1c(cccc1OC)C 2230a_100000758225_100000758301 [1,0,1,0,0,0|1,0,1]=4 320 B14R1.2178 CCC(C)Nc1c(cccc1OC)C 34a_100000758225_100011215416 [1,0,1,0,0,0|1,0,1]=4 321 B14R1.2178 CNC(=O)Nc1c(cccc1OC)C 2430a_100000758225_100102657272 [1,0,1,0,0,0|0,0,2]=4 322 B14R1.2178 COc1cccc(c1NC(=O)CO)C 22a_100000758225_100000210174 [1,0,1,0,0,0|1,0,1]=4 323 B14R1.2178 COc1cccc(c1SC(C)OC)C 62a_100009879195_100010191535 [1,0,1,0,0,0|1,0,1]=4 324 B14R1.2178 COc1cccc(c1SC(C)OC)C 62a_100010191535_100009879195 [1,0,1,0,0,0|1,0,1]=4 325 B14R1.965 CCCC(=O)Nc1ccccc1OC 11a_100000210025_100000211992 [1,0,1,0,0,0|1,0,1]=4 326 B14R1.965 CCCC(=O)Nc1ccccc1OC 1626a_100000210025_100000211992 [1,0,1,0,0,0|1,0,1]=4 327 B14R1.965 CCCC(=O)Nc1ccccc1OC 22a_100000210025_100000211992 [1,0,1,0,0,0|1,0,1]=4 328 B14R1.965 CCCC(=O)Nc1ccccc1OC 527a_100000210025_100000211992 [1,0,1,0,0,0|1,0,1]=4 329 B14R1.965 CCNC(=O)Nc1ccccc1OC 2430a_100000210025_100015525214 [1,0,1,0,0,0|0,0,2]=4 330 B14R1.965 CCOC(=O)Cc1ccccc1OC 7a_100011742756_200000210301 [1,0,1,0,0,0|2,0,0]=4 331 B14R1.965 CCOC(=O)Cc1ccccc1O[13CH3] 7a_100011742756_200025704644 [1,0,1,0,0,0|2,0,0]=4 332 B14R1.3381 CCCCNc1c(cccc1OC)C 2230a_100000758225_100000210211 [1,0,1,0,0,0|1,0,1]=4 333 B14R1.3381 CCCCNc1c(cccc1OC)C 34a_100000758225_100000210210 [1,0,1,0,0,0|1,0,1]=4 334 B14R1.3381 CCNN=Cc1c(cccc1OC)C 4a_100000756455_100000050978 [1,0,1,0,0,0|2,0,0]=4 335 B14R1.3381 CCOC=Cc1c(cccc1CC)C 271570a_100016256518_100000036235 [1,0,1,0,0,0|2,0,0]=4 336 B14R1.3381 CCOC=Cc1c(cccc1OC)Br 271570a_100016256518_100010131421 [1,0,1,0,0,0|2,0,0]=4 337 B14R1.3381 CCOC=Cc1c(cccc1OC)F 271570a_100016256518_100000041735 [1,0,1,0,0,0|2,0,0]=4 338 B14R1.3381 CCOC=Cc1c(cccc1OC)N 271570a_100016256518_100000703447 [1,0,1,0,0,0|2,0,0]=4 339 B14R1.3381 CCOC=Cc1c(cccc1OC)O 271570a_100016256518_100010202623 [1,0,1,0,0,0|2,0,0]=4 340 B14R1.3381 CCOC=Cc1c(ccnc1OC)C 271570a_100016256518_100012353928 [1,0,1,0,0,0|2,0,0]=4 341 B14R1.3381 CCOCSc1c(cccc1OC)C 62a_100000739092_100010191535 [1,0,1,0,0,0|1,0,1]=4 342 B14R1.3381 CCOCSc1c(cccc1OC)C 62a_100010191535_100000739092 [1,0,1,0,0,0|1,0,1]=4 343 B14R1.3381 CCc1cccc(c1NCCCO)C 2230a_100000210048_100000230001 [1,0,1,0,0,0|1,0,1]=4 344 B14R1.3381 CCc1cccc(c1NCCCO)C 34a_100000210048_100000230001 [1,0,1,0,0,0|1,0,1]=4 345 B14R1.3381 CCc1cccc(c1NCCCO)C 7a_100000210048_100011215043 [1,0,1,0,0,0|1,0,1]=4 346 B14R1.3381 COc1cccc(c1CNCCO)C 207a_100000210304_100000050978 [1,0,1,0,0,0|0,0,2]=4 347 B14R1.3381 COc1cccc(c1CNCCO)C 270004a_100000210304_100000050978 [1,0,1,0,0,0|0,0,2]=4 348 B14R1.3381 COc1cccc(c1NCCCF)C 2230a_100000758225_100011934791 [1,0,1,0,0,0|1,0,1]=4 349 B14R1.3381 COc1cccc(c1NCCCF)C 34a_100000758225_100011934791 [1,0,1,0,0,0|1,0,1]=4 350 B14R1.3381 COc1cccc(c1NCCCO)Br 34a_100000708083_100000230001 [1,0,1,0,0,0|1,0,1]=4 351 B14R1.3381 COc1cccc(c1NCCCO)C 2230a_100000758225_100000230001 [1,0,1,0,0,0|0,0,1]=3 352 B14R1.3381 COc1cccc(c1NCCCO)C 34a_100000758225_100000230001 [1,0,1,0,0,0|0,0,1]=3 353 B14R1.3381 COc1cccc(c1NCCCO)Cl 34a_100011309317_100000230001 [1,0,1,0,0,0|1,0,1]=4 354 B14R1.3381 COc1cccc(c1NCCCO)F 34a_100000686744_100000230001 [1,0,1,0,0,0|1,0,1]=4 355 B14R1.3381 COc1cccc(c1NCCCO)O 34a_100012022766_100000230001 [1,0,1,0,0,0|1,0,1]=4 356 B14R1.3381 COc1cccc(c1OCCCO)C 34a_100011219253_100000230001 [1,0,1,0,0,0|1,0,1]=4 357 B14R1.3381 COc1cccc(c1OCCCO)C 7a_100011219253_100011215043 [1,0,1,0,0,0|1,0,1]=4 358 B14R1.3381 COc1cccc(c1SCCCO)C 62a_100010191535_100011215043 [1,0,1,0,0,0|1,0,1]=4 359 B14R1.3381 COc1cccc(c1SCCCO)C 62a_100011215043_100010191535 [1,0,1,0,0,0|1,0,1]=4 360 B14R1.19171 CCCC(=O)Nc1c(cccc1C)C 11a_100000185769_100000211992 [1,0,1,0,0,0|1,0,1]=4 361 B14R1.19171 CCCC(=O)Nc1c(cccc1C)C 1626a_100000185769_100000211992 [1,0,1,0,0,0|1,0,1]=4 362 B14R1.19171 CCCC(=O)Nc1c(cccc1C)C 22a_100000185769_100000211992 [1,0,1,0,0,0|1,0,1]=4 363 B14R1.19171 CCCC(=O)Nc1c(cccc1O)C 22a_100000743429_100000211992 [1,0,1,0,0,0|1,0,1]=4 364 B14R1.19171 CCCC(=O)Nc1c(cccc1O)C 527a_100000743429_100000211992 [1,0,1,0,0,0|1,0,1]=4 365 B14R1.19171 CCNC(=O)Nc1c(cccc1C)C 2430a_100000185769_100015525214 [1,0,1,0,0,0|0,0,2]=4 366 B14R1.19171 CCNC(=O)Nc1c(cccc1C)C 512a_100015525214_100000185769 [1,0,1,0,0,0|0,0,2]=4 367 B14R1.19171 CCNC(=O)Nc1c(cccc1O)C 2430a_100000743429_100015525214 [1,0,1,0,0,0|0,0,2]=4 368 B14R1.476 COc1ccccc1NCCCCO 34a_100000210025_100011216708 [1,0,1,0,0,0|1,0,1]=4 369 B14R1.20339 Cc1cccc(c1NCCCCO)C 34a_100000185769_100011216708 [1,0,1,0,0,0|1,0,1]=4 370 B14R1.20339 Cc1cccc(c1NCCCCO)O 34a_100000743429_100011216708 [1,0,1,0,0,0|1,0,1]=4 371 B16R1.2234 CCCC(=O)Nc1c(cccc1OC)OC 11a_100011218430_100000211992 [0,1,1,0,0,0|1,0,1]=4 372 B16R1.2234 CCCC(=O)Nc1c(cccc1OC)OC 1626a_100011218430_100000211992 [0,1,1,0,0,0|1,0,1]=4 373 B16R1.2234 CCCC(=O)Nc1c(cccc1OC)OC 22a_100011218430_100000211992 [0,1,1,0,0,0|1,0,1]=4 374 B16R1.2234 CCCC(=O)Nc1c(cccc1SC)OC 11a_200012283368_100000211992 [0,1,1,0,0,0|1,0,1]=4 375 B16R1.2234 CCCC(=O)Nc1c(cccc1SC)OC 1626a_200012283368_100000211992 [0,1,1,0,0,0|1,0,1]=4 376 B16R1.2234 CCCC(=O)Nc1c(cccc1SC)OC 22a_200012283368_100000211992 [0,1,1,0,0,0|1,0,1]=4 377 B16R1.2234 CCNC(=O)Nc1c(cccc1OC)OC 2430a_100011218430_100015525214 [0,1,1,0,0,0|0,0,2]=4 378 B16R1.2234 CCNC(=O)Nc1c(cccc1SC)OC 2430a_200012283368_100015525214 [0,1,1,0,0,0|0,0,2]=4 379 B16R1.2234 CCNC(=O)Nc1c(cccc1SC)OC 512a_200012283368_100015525214 [0,1,1,0,0,0|0,0,2]=4 380 B16R1.19758 COc1cccc(c1NC(=O)CC(C)C)C 11a_100000758225_100000210554 [0,1,1,0,0,0|1,0,1]=4 381 B16R1.19758 COc1cccc(c1NC(=O)CC(C)C)C 1626a_100000758225_100000210554 [0,1,1,0,0,0|1,0,1]=4 382 B16R1.19758 COc1cccc(c1NC(=O)CC(C)C)C 22a_100000758225_100000210554 [0,1,1,0,0,0|1,0,1]=4 383 B16R1.19758 COc1cccc(c1NC(=O)C[C@@H](C)O)C 22a_100000758225_100011933948 [0,1,1,0,0,0|1,0,1]=4 384 B16R1.19758 COc1cccc(c1NC(=O)NC(C)C)C 2430a_100000758225_100138425928 [0,1,1,0,0,0|0,0,2]=4 385 B16R1.71801 CCCC(=O)Nc1c(cc(cc1OC)Br)C 11a_100000741850_100000211992 [0,1,1,0,0,0|1,0,1]=4 386 B16R1.71801 CCCC(=O)Nc1c(cc(cc1OC)Br)C 1626a_100000741850_100000211992 [0,1,1,0,0,0|1,0,1]=4 387 B16R1.71801 CCCC(=O)Nc1c(cc(cc1OC)Br)C 22a_100000741850_100000211992 [0,1,1,0,0,0|1,0,1]=4 388 B16R1.71801 CCNC(=O)Nc1c(cc(cc1OC)Br)C 2430a_100000741850_100015525214 [0,1,1,0,0,0|0,0,2]=4 389 B16R1.71801 CCNC(=O)Nc1c(cc(cc1OC)Br)C 512a_100000741850_100015525214 [0,1,1,0,0,0|0,0,2]=4 390 B16R1.71801 CCNC(=O)Nc1c(cc(cc1OC)Br)C 512a_100015525214_100000741850 [0,1,1,0,0,0|0,0,2]=4 391 B16R1.86889 CCC(C)C(=O)Nc1c(cccc1OC)C 11a_100000758225_100011192722 [0,1,1,0,0,0|1,0,1]=4 392 B16R1.86889 CCC(C)C(=O)Nc1c(cccc1OC)C 1626a_100000758225_100011192722 [0,1,1,0,0,0|1,0,1]=4 393 B16R1.86889 CCC(C)C(=O)Nc1c(cccc1OC)C 22a_100000758225_100011192722 [0,1,1,0,0,0|1,0,1]=4 394 B16R1.86889 CCC(O)C(=O)Nc1c(cccc1OC)C 22a_100000758225_100011196387 [0,1,1,0,0,0|1,0,1]=4 395 B16R1.86889 CCN(C)C(=O)Nc1c(cccc1OC)C 2430a_100000758225_100000225621 [0,1,1,0,0,0|0,0,2]=4 396 B16R1.91108 CCC#CC(=O)Nc1c(cccc1OC)C 22a_100000758225_100011827653 [0,1,1,0,0,0|1,0,1]=4 397 B16R1.91108 CCC=CC(=O)Nc1c(cccc1OC)C 11a_100000758225_100000212282 [0,1,1,0,0,0|1,0,1]=4 398 B16R1.91108 CCC=CC(=O)Nc1c(cccc1OC)C 1626a_100000758225_100000212282 [0,1,1,0,0,0|1,0,1]=4 399 B16R1.91108 CCC=CC(=O)Nc1c(cccc1OC)C 22a_100000758225_100000212282 [0,1,1,0,0,0|1,0,1]=4 400 B16R1.91108 CCCCC(=O)Nc1c(cccc1OC)C 11a_100000758225_100000210183 [0,1,1,0,0,0|1,0,1]=4 401 B16R1.91108 CCCCC(=O)Nc1c(cccc1OC)C 1626a_100000758225_100000210183 [0,1,1,0,0,0|1,0,1]=4 402 B16R1.91108 CCCCC(=O)Nc1c(cccc1OC)C 22a_100000758225_100000210183 [0,1,1,0,0,0|1,0,1]=4 403 B16R1.91108 CCCNC(=O)Nc1c(cccc1OC)C 2430a_100000758225_100020643023 [0,1,1,0,0,0|0,0,2]=4 404 B16R1.91108 CCOCC(=O)Nc1c(cccc1CC)C 11a_100000210048_100000211967 [0,1,1,0,0,0|2,0,0]=4 405 B16R1.91108 CCOCC(=O)Nc1c(cccc1CC)C 1626a_100000210048_100000211967 [0,1,1,0,0,0|2,0,0]=4 406 B16R1.91108 CCOCC(=O)Nc1c(cccc1CC)C 22a_100000210048_100000211967 [0,1,1,0,0,0|2,0,0]=4 407 B16R1.91108 CCOCC(=O)Nc1c(cccc1CC)C 34a_100121572206_100000183321 [0,1,1,0,0,0|2,0,0]=4 408 B16R1.91108 CCOCC(=O)Nc1c(cccc1OC)Br 11a_100000708083_100000211967 [0,1,1,0,0,0|2,0,0]=4 409 B16R1.91108 CCOCC(=O)Nc1c(cccc1OC)Br 1626a_100000708083_100000211967 [0,1,1,0,0,0|2,0,0]=4 410 B16R1.91108 CCOCC(=O)Nc1c(cccc1OC)Br 22a_100000708083_100000211967 [0,1,1,0,0,0|2,0,0]=4 411 B16R1.91108 CCOCC(=O)Nc1c(cccc1OC)C 11a_100000758225_100000211967 [0,1,1,0,0,0|1,0,0]=3 412 B16R1.91108 CCOCC(=O)Nc1c(cccc1OC)C 1626a_100000758225_100000211967 [0,1,1,0,0,0|1,0,0]=3 413 B16R1.91108 CCOCC(=O)Nc1c(cccc1OC)C 22a_100000758225_100000211967 [0,1,1,0,0,0|1,0,0]=3 414 B16R1.91108 CCOCC(=O)Nc1c(cccc1OC)Cl 11a_100011309317_100000211967 [0,1,1,0,0,0|2,0,0]=4 415 B16R1.91108 CCOCC(=O)Nc1c(cccc1OC)Cl 1626a_100011309317_100000211967 [0,1,1,0,0,0|2,0,0]=4 416 B16R1.91108 CCOCC(=O)Nc1c(cccc1OC)Cl 22a_100011309317_100000211967 [0,1,1,0,0,0|2,0,0]=4 417 B16R1.91108 CCOCC(=O)Nc1c(cccc1OC)F 11a_100000686744_100000211967 [0,1,1,0,0,0|2,0,0]=4 418 B16R1.91108 CCOCC(=O)Nc1c(cccc1OC)F 1626a_100000686744_100000211967 [0,1,1,0,0,0|2,0,0]=4 419 B16R1.91108 CCOCC(=O)Nc1c(cccc1OC)F 22a_100000686744_100000211967 [0,1,1,0,0,0|2,0,0]=4 420 B16R1.91108 CCOCC(=O)Nc1c(cccc1OC)I 11a_100010253897_100000211967 [0,1,1,0,0,0|2,0,0]=4 421 B16R1.91108 CCOCC(=O)Nc1c(cccc1OC)I 1626a_100010253897_100000211967 [0,1,1,0,0,0|2,0,0]=4 422 B16R1.91108 CCOCC(=O)Nc1c(cccc1OC)O 22a_100012022766_100000211967 [0,1,1,0,0,0|2,0,0]=4 423 B16R1.91108 CCOCC(=O)Nc1c(cccc1OC)O 527a_100012022766_100000211967 [0,1,1,0,0,0|2,0,0]=4 424 B16R1.91108 CCSCC(=O)Nc1c(cccc1OC)C 11a_100000758225_100000230394 [0,1,1,0,0,0|1,0,1]=4 425 B16R1.91108 CCSCC(=O)Nc1c(cccc1OC)C 1626a_100000758225_100000230394 [0,1,1,0,0,0|1,0,1]=4 426 B16R1.91108 CCSCC(=O)Nc1c(cccc1OC)C 22a_100000758225_100000230394 [0,1,1,0,0,0|1,0,1]=4 427 B16R1.91108 COCCC(=O)Nc1c(cccc1OC)C 11a_100000758225_100000749529 [0,1,1,0,0,0|1,0,1]=4 428 B16R1.91108 COCCC(=O)Nc1c(cccc1OC)C 1626a_100000758225_100000749529 [0,1,1,0,0,0|1,0,1]=4 429 B16R1.91108 COCCC(=O)Nc1c(cccc1OC)C 22a_100000758225_100000749529 [0,1,1,0,0,0|1,0,1]=4 430 B16R1.91108 COc1cccc(c1NC(=O)CCSC)C 11a_100000758225_100000174002 [0,1,1,0,0,0|1,0,1]=4 431 B16R1.91108 COc1cccc(c1NC(=O)CCSC)C 1626a_100000758225_100000174002 [0,1,1,0,0,0|1,0,1]=4 432 B16R1.91108 COc1cccc(c1NC(=O)CCSC)C 22a_100000758225_100000174002 [0,1,1,0,0,0|1,0,1]=4 433 B16R1.91108 COc1cccc(c1NC(=O)NCCF)C 2430a_100000758225_100000724931 [0,1,1,0,0,0|0,0,2]=4 434 B16R1.91108 COc1cccc(c1NC(=O)NCCO)C 2430a_100000758225_100000210304 [0,1,1,0,0,0|0,0,2]=4 435 B16R1.12687 COc1cccc(c1NCCCCO)CO 34a_100011999522_100011216708 [0,1,1,0,0,0|1,0,1]=4 436 B16R1.12687 COc1cccc(c1NCCCCO)OC 2230a_100011218430_100000210776 [0,1,1,0,0,0|1,0,1]=4 437 B16R1.12687 COc1cccc(c1NCCCCO)OC 34a_100011218430_100011216708 [0,1,1,0,0,0|1,0,1]=4 438 B16R1.12687 COc1cccc(c1NCCCCO)SC 2230a_200012283368_100000210776 [0,1,1,0,0,0|1,0,1]=4 439 B16R1.12687 COc1cccc(c1NCCCCO)SC 34a_200012283368_100011216708 [0,1,1,0,0,0|1,0,1]=4 440 B16R1.17440 CCCCOCNc1c(cccc1OC)C 2230a_100000758225_100011995733 [0,1,1,0,0,0|1,0,1]=4 441 B16R1.17440 CCCCOCNc1c(cccc1OC)C 34a_100000758225_100011995733 [0,1,1,0,0,0|1,0,1]=4 442 B16R1.17440 CCCOCCNc1c(cccc1OC)C 2230a_100000758225_100011215938 [0,1,1,0,0,0|1,0,1]=4 443 B16R1.17440 CCCOCCNc1c(cccc1OC)C 34a_100000758225_100011215938 [0,1,1,0,0,0|1,0,1]=4 444 B16R1.17440 COCCCCNc1c(cccc1OC)C 2230a_100000758225_100000730899 [0,1,1,0,0,0|1,0,1]=4 445 B16R1.17440 COCCCCNc1c(cccc1OC)C 34a_100000758225_100000755781 [0,1,1,0,0,0|1,0,1]=4 446 B16R1.17440 COCCOCNc1c(cccc1OC)C 2230a_100000758225_100000231047 [0,1,1,0,0,0|1,0,1]=4 447 B16R1.17440 COc1cccc(c1CNCCCCO)C 207a_100000750430_100000050978 [0,1,1,0,0,0|1,0,1]=4 448 B16R1.17440 COc1cccc(c1CNCCCCO)C 270004a_100000750430_100000050978 [0,1,1,0,0,0|1,0,1]=4 449 B16R1.17440 COc1cccc(c1NCCCCCO)C 2230a_100000758225_100000746330 [0,1,1,0,0,0|1,0,1]=4 450 B16R1.17440 COc1cccc(c1NCCCCCO)C 34a_100000758225_100000746330 [0,1,1,0,0,0|1,0,1]=4 451 B16R1.17440 COc1cccc(c1NCCOCCO)C 2230a_100000758225_100011215305 [0,1,1,0,0,0|1,0,1]=4 452 B16R1.17440 COc1cccc(c1NCCOCCO)C 34a_100000758225_100000692535 [0,1,1,0,0,0|1,0,1]=4 453 B16R1.19762 COc1cccc(c1NCCCC(C)O)C 2230a_100000758225_200000718107 [0,1,1,0,0,0|1,0,1]=4 454 B16R1.19762 COc1cccc(c1NCCCC(C)O)C 34a_100000758225_200000718107 [0,1,1,0,0,0|1,0,1]=4 455 B16R1.78658 COc1cc(cc(c1NCCCCO)C)Br 34a_100000741850_100011216708 [0,1,1,0,0,0|1,0,1]=4 456 B16R2.173 COc1ccccc1Nc2nnc(o2)C 27a_100000210025_100000708914 [1,1,0,0,0,0|1,0,1]=4 457 B16R2.11484 Cc1nnc(o1)Nc2c(cccc2C)C 27a_100000185769_100000708914 [1,1,0,0,0,0|1,0,1]=4 458 B16R2.11484 Cc1nnc(o1)Nc2c(cccc2O)C 27a_100000743429_100000708914 [1,1,0,0,0,0|1,0,1]=4 459 B16R2.26460 COc1cc(cc(c1NC2CCC2)C)Br 34a_100000741850_100000749161 [0,1,0,0,1,0|1,0,1]=4 460 B16R2.41275 COc1cccc(c1NC2CCC2=O)C 34a_100000758225_100009892977 [0,1,0,0,1,0|1,0,1]=4 461 B16R2.201364 COc1cccc(c1NC2CCC2)CO 34a_100011999522_100000749161 [0,1,0,0,1,0|1,0,1]=4 462 B16R2.201364 COc1cccc(c1NC2CCC2)OC 34a_100011218430_100000749161 [0,1,0,0,1,0|1,0,1]=4 463 B16R2.201364 COc1cccc(c1NC2CCC2)SC 34a_200012283368_100000749161 [0,1,0,0,1,0|1,0,1]=4 464 B16R2.336 COc1cc(cc(c1c2ncco2)C)C 271570a_100011997021_100011787736 [0,1,0,0,1,0|0,0,2]=4 465 B16R2.37063 COc1cccc(c1C2=CCCC2)CO 271570a_100000089523_100010236476 [0,1,0,0,1,0|2,0,0]=4 466 B16R2.37063 COc1cccc(c1C2=CCCC2)OC 271570a_100000089523_100000050062 [0,1,0,0,1,0|2,0,0]=4 467 B16R2.37063 COc1cccc(c1c2ncco2)OC 271570a_100000694107_100011787736 [0,1,0,0,1,0|0,0,2]=4 468 B18R2.6596 COc1cc(cc(c1NC2CCCOC2)C)Br 34a_100000741850_100000693364 [0,1,0,0,0,1|1,0,1]=4 469 B18R2.106076 COc1cccc(c1NC2COCCC2=O)C 34a_100000758225_100012180262 [0,1,0,0,0,1|1,0,1]=4 470 B18R2.106078 COc1cccc(c1NC2CCCOC2)CO 34a_100011999522_100000693364 [0,1,0,0,0,1|1,0,1]=4 471 B18R2.106078 COc1cccc(c1NC2CCCOC2)OC 34a_100011218430_100000693364 [0,1,0,0,0,1|1,0,1]=4 472 B18R2.106078 COc1cccc(c1NC2CCCOC2)SC 34a_200012283368_100000693364 [0,1,0,0,0,1|1,0,1]=4 473 B18R2.6611 CCc1cc(cc(c1NCC2=NCCN2)C)Br 34a_200000186424_100000737910 [0,1,0,0,0,1|2,0,0]=4 474 B18R2.6611 CCc1cc(cc(c1NCC2=NCCN2)C)Br 7a_200000186424_100000737910 [0,1,0,0,0,1|2,0,0]=4 475 B18R2.6611 COc1cc(cc(c1NCC2=NCCN2)Br)Br 34a_100010253907_100000737910 [0,1,0,0,0,1|2,0,0]=4 476 B18R2.6611 COc1cc(cc(c1NCC2=NCCN2)Br)Cl 34a_200010138668_100000737910 [0,1,0,0,0,1|2,0,0]=4 477 B18R2.6611 COc1cc(cc(c1NCC2=NCCN2)Br)F 34a_100011004115_100000737910 [0,1,0,0,0,1|2,0,0]=4 478 B18R2.6611 COc1cc(cc(c1NCC2=NCCN2)C)Br 34a_100000741850_100000737910 [0,1,0,0,0,1|1,0,0]=3 479 B18R2.6611 COc1cc(cc(c1NCC2=NCCN2)Cl)Cl 34a_100009955935_100000737910 [0,1,0,0,0,1|2,0,0]=4 480 B18R2.6611 COc1cc(cc(c1NCC2OCCO2)C)Br 34a_100000741850_100000755774 [0,1,0,0,0,1|1,0,1]=4 481 B18R2.6611 COc1cc(cc(c1NCc2ncco2)C)Br 34a_100000741850_103436540062 [0,1,0,0,0,1|0,0,2]=4 482 B18R2.26864 COc1c(ccc(c1NCC2=NCCN2)F)F 34a_100009873038_100000737910 [0,1,0,0,0,1|2,0,0]=4 483 B18R2.39218 Cc1cccc(c1NCC2=NCCN2)C(C)C 34a_100138557336_100000737910 [0,1,0,0,0,1|2,0,0]=4 484 B18R2.39218 Cc1cccc(c1NCC2=NCCN2)C(C)C 7a_100138557336_100000737910 [0,1,0,0,0,1|2,0,0]=4 485 B18R2.54646 CCOc1cccc(c1NCC2=NCCN2)Br 34a_200103155331_100000737910 [0,1,0,0,0,1|2,0,0]=4 486 B18R2.54646 CCOc1cccc(c1NCC2=NCCN2)Cl 34a_100012284057_100000737910 [0,1,0,0,0,1|2,0,0]=4 487 B18R2.114337 COc1ccc(c(c1NCC2=NCCN2)F)F 34a_100000061648_100000737910 [0,1,0,0,0,1|2,0,0]=4 488 B18R2.117941 CCc1cccc(c1NCC2=NCCN2)CC 34a_100000211307_100000737910 [0,1,0,0,0,1|2,0,0]=4 489 B18R2.117941 CCc1cccc(c1NCC2=NCCN2)CC 7a_100000211307_100000737910 [0,1,0,0,0,1|2,0,0]=4 490 B18R2.117941 COc1cccc(c1NCC2=NCCN2)CO 34a_100011999522_100000737910 [0,1,0,0,0,1|1,0,0]=3 491 B18R2.117941 COc1cccc(c1NCC2=NCCN2)OC 34a_100011218430_100000737910 [0,1,0,0,0,1|1,0,0]=3 492 B18R2.117941 COc1cccc(c1NCC2=NCCN2)SC 34a_200012283368_100000737910 [0,1,0,0,0,1|1,0,0]=3 493 B18R2.117941 COc1cccc(c1NCC2CCCO2)OC 2230a_100011218430_100000203698 [0,1,0,0,0,1|1,0,1]=4 494 B18R2.117941 COc1cccc(c1NCC2CCCO2)SC 2230a_200012283368_100000203698 [0,1,0,0,0,1|1,0,1]=4 495 B18R2.117941 COc1cccc(c1NCC2OCCO2)CO 34a_100011999522_100000755774 [0,1,0,0,0,1|1,0,1]=4 496 B18R2.117941 COc1cccc(c1NCC2OCCO2)OC 2230a_100011218430_100000755774 [0,1,0,0,0,1|1,0,1]=4 497 B18R2.117941 COc1cccc(c1NCC2OCCO2)OC 34a_100011218430_100000755774 [0,1,0,0,0,1|1,0,1]=4 498 B18R2.117941 COc1cccc(c1NCC2OCCO2)SC 2230a_200012283368_100000755774 [0,1,0,0,0,1|1,0,1]=4 499 B18R2.117941 COc1cccc(c1NCC2OCCO2)SC 34a_200012283368_100000755774 [0,1,0,0,0,1|1,0,1]=4 500 B18R2.117941 COc1cccc(c1NCc2ncco2)CO 34a_100011999522_103436540062 [0,1,0,0,0,1|0,0,2]=4 501 B18R2.117941 COc1cccc(c1NCc2ncco2)OC 2230a_100011218430_103436540062 [0,1,0,0,0,1|0,0,2]=4 502 B18R2.117941 COc1cccc(c1NCc2ncco2)OC 34a_100011218430_103436540062 [0,1,0,0,0,1|0,0,2]=4 503 B18R2.117941 COc1cccc(c1NCc2ncco2)SC 2230a_200012283368_103436540062 [0,1,0,0,0,1|0,0,2]=4 504 B18R2.117941 COc1cccc(c1NCc2ncco2)SC 34a_200012283368_103436540062 [0,1,0,0,0,1|0,0,2]=4 505 B18R2.117941 COc1cccc(c1OCC2=NCCN2)CO 34a_100011218668_100000737910 [0,1,0,0,0,1|2,0,0]=4 506 B18R2.117941 COc1cccc(c1OCC2=NCCN2)OC 34a_100000211025_100000737910 [0,1,0,0,0,1|2,0,0]=4 507 B18R2.117941 COc1cccc(c1SCC2=NCCN2)CO 62a_100000737910_100010236476 [0,1,0,0,0,1|2,0,0]=4 508 B18R2.117941 COc1cccc(c1SCC2=NCCN2)CO 62a_100010236476_100000737910 [0,1,0,0,0,1|2,0,0]=4 509 B18R2.117941 COc1cccc(c1SCC2=NCCN2)OC 62a_100000690108_100000737910 [0,1,0,0,0,1|2,0,0]=4 510 B18R2.117941 COc1cccc(c1SCC2=NCCN2)OC 62a_100000737910_100000690108 [0,1,0,0,0,1|2,0,0]=4 511 B18R2.118100 COc1cccc(c1NC(=O)C2=CCCC2)C 11a_100000758225_100000038896 [0,1,0,0,0,1|2,0,0]=4 512 B18R2.118100 COc1cccc(c1NC(=O)C2=CCCC2)C 1626a_100000758225_100000038896 [0,1,0,0,0,1|2,0,0]=4 513 B18R2.118100 COc1cccc(c1NC(=O)C2=CCCC2)C 22a_100000758225_100000038896 [0,1,0,0,0,1|2,0,0]=4 514 B18R2.118100 COc1cccc(c1NC(=O)[C@@H]2CCCO2)C 11a_100000758225_100000686382 [0,1,0,0,0,1|1,0,1]=4 515 B18R2.118100 COc1cccc(c1NC(=O)[C@@H]2CCCO2)C 1626a_100000758225_100000686382 [0,1,0,0,0,1|1,0,1]=4 516 B18R2.118100 COc1cccc(c1NC(=O)[C@@H]2CCCO2)C 22a_100000758225_100000686382 [0,1,0,0,0,1|1,0,1]=4 517 B18R2.118302 COc1cccc(c1NCc2nc(no2)C)C 2230a_100000758225_100000735555 [0,1,0,0,0,1|1,0,1]=4 518 B18R2.118302 COc1cccc(c1NCc2nc(no2)C)C 34a_100000758225_100000735555 [0,1,0,0,0,1|1,0,1]=4 519 B18R2.118302 COc1cccc(c1NCc2nnc(o2)C)C 2230a_100000758225_100000181450 [0,1,0,0,0,1|1,0,1]=4 520 B18R2.6630 COc1cc(cc(c1Nc2nnc(o2)C)C)Br 27a_100000741850_100000708914 [0,2,0,0,0,0|1,0,1]=4 521 B18R2.117982 COc1cccc(c1Nc2nnc(o2)C)CO 27a_100011999522_100000708914 [0,2,0,0,0,0|1,0,1]=4 522 B18R2.117982 COc1cccc(c1Nc2nnc(o2)C)OC 27a_100011218430_100000708914 [0,2,0,0,0,0|1,0,1]=4 523 B18R2.117982 COc1cccc(c1Nc2nnc(o2)C)SC 27a_200012283368_100000708914 [0,2,0,0,0,0|1,0,1]=4 524 B16R2.201416 COc1cccc(c1NC(=O)C2CC2)C 11a_100000758225_100000210395 [0,0,1,1,0,0|1,0,1]=4 525 B16R2.201416 COc1cccc(c1NC(=O)C2CC2)C 1626a_100000758225_100000210395 [0,0,1,1,0,0|1,0,1]=4 526 B16R2.201416 COc1cccc(c1NC(=O)C2CC2)C 22a_100000758225_100000210395 [0,0,1,1,0,0|1,0,1]=4 527 B16R2.37065 COc1cccc(c1NCCC2CO2)C 2230a_100000758225_100000732470 [0,0,1,1,0,0|1,0,1]=4 528 B16R2.37065 COc1cccc(c1NCCC2CO2)C 34a_100000758225_100000732470 [0,0,1,1,0,0|1,0,1]=4 529 B16R2.41274 COc1cccc(c1NCC2CCO2)C 2230a_100000758225_100000103362 [0,0,1,1,0,0|1,0,1]=4 530 B16R2.41274 COc1cccc(c1NCC2CCO2)C 34a_100000758225_100000103362 [0,0,1,1,0,0|1,0,1]=4 531 B14R1.7276 CCCC(=O)c1c(cccc1OC)C 1458a_100000066212_100000210303 [0,0,1,0,1,0|1,0,1]=4 532 B14R1.7276 CCNC(=O)c1c(cccc1OC)C 11a_100015525214_100000066212 [0,0,1,0,1,0|0,0,2]=4 533 B14R1.7276 CCNC(=O)c1c(cccc1OC)C 240690a_100015525214_100000066212 [0,0,1,0,1,0|0,0,2]=4 534 B14R1.7276 CCOC(=O)c1c(cccc1OC)C 7a_100000034863_200000210301 [0,0,1,0,1,0|1,0,0]=3 535 B14R1.7276 CCOC(=O)c1c(cccc1OC)Cl 7a_200000055446_200000210301 [0,0,1,0,1,0|2,0,0]=4 536 B14R1.7276 CCOC(=O)c1c(cccc1OC)F 7a_100011997393_200000210301 [0,0,1,0,1,0|2,0,0]=4 537 B14R1.7276 CCOC(=O)c1c(cccc1O[13CH3])C 7a_100000034863_200025704644 [0,0,1,0,1,0|1,0,0]=3 538 B14R1.7276 CCOC(=O)c1c(cccc1O[13CH3])Cl 7a_200000055446_200025704644 [0,0,1,0,1,0|2,0,0]=4 539 B14R1.7276 CCOC(=O)c1c(cccc1O[13CH3])F 7a_100011997393_200025704644 [0,0,1,0,1,0|2,0,0]=4 540 B14R2.98 COc1ccccc1C2=CCCC2 271570a_100000089523_100000174000 [1,0,0,0,1,0|2,0,0]=4 541 B14R2.98 COc1ccccc1c2ncco2 271570a_100000756652_100011787736 [1,0,0,0,1,0|0,0,2]=4 542 B14R2.98 COc1ccccc1c2nnco2 34a_100000013539_200000210301 [1,0,0,0,1,0|1,0,1]=4 543 B14R2.98 [13CH3]Oc1ccccc1c2nnco2 34a_100000013539_200025704644 [1,0,0,0,1,0|1,0,1]=4 544 B14R2.1914 COc1ccccc1NC2CCC2 34a_100000210025_100000749161 [1,0,0,0,1,0|1,0,1]=4 545 B14R2.5333 Cc1cccc(c1NC2CCC2)C 34a_100000185769_100000749161 [1,0,0,0,1,0|1,0,1]=4 546 B14R2.5333 Cc1cccc(c1NC2CCC2)O 34a_100000743429_100000749161 [1,0,0,0,1,0|1,0,1]=4 547 B14R2.9066 Cc1cccc(c1C2=CCCC2)C 271570a_100000089523_100000033847 [1,0,0,0,1,0|2,0,0]=4 548 B14R2.9066 Cc1cccc(c1C2=CCCC2)O 271570a_100000089523_100000686692 [1,0,0,0,1,0|2,0,0]=4 549 B14R2.1201 CCc1cccc(c1NC2CC2)C 34a_100000210048_100000211595 [0,0,0,0,2,0|1,0,1]=4 550 B14R2.1201 COc1cccc(c1NC2CC2)Br 34a_100000708083_100000211595 [0,0,0,0,2,0|1,0,1]=4 551 B14R2.1201 COc1cccc(c1NC2CC2)C 34a_100000758225_100000211595 [0,0,0,0,2,0|0,0,1]=3 552 B14R2.1201 COc1cccc(c1NC2CC2)Cl 34a_100011309317_100000211595 [0,0,0,0,2,0|1,0,1]=4 553 B14R2.1201 COc1cccc(c1NC2CC2)F 34a_100000686744_100000211595 [0,0,0,0,2,0|1,0,1]=4 554 B14R2.1201 COc1cccc(c1NC2CC2)O 34a_100012022766_100000211595 [0,0,0,0,2,0|1,0,1]=4 555 B14R2.1201 COc1cccc(c1OC2CC2)C 34a_100011219253_100000211595 [0,0,0,0,2,0|1,0,1]=4 556 B14R2.1201 COc1cccc(c1SC2CC2)C 62a_100010191535_100000211595 [0,0,0,0,2,0|1,0,1]=4 557 B16R1.19773 COc1cccc(c1NCC(OC)OC)C 2230a_100000758225_100000751394 [0,0,1,0,0,1|1,0,1]=4 558 B16R1.19773 COc1cccc(c1NCC(OC)OC)C 34a_100000758225_100000211822 [0,0,1,0,0,1|1,0,1]=4 559 B16R2.172 COc1ccccc1NC2CCCOC2 34a_100000210025_100000693364 [1,0,0,0,0,1|1,0,1]=4 560 B16R2.1480 CCc1ccccc1NCC2=NCCN2 34a_100000212081_100000737910 [1,0,0,0,0,1|2,0,0]=4 561 B16R2.1480 CCc1ccccc1NCC2=NCCN2 7a_100000212081_100000737910 [1,0,0,0,0,1|2,0,0]=4 562 B16R2.1480 COc1ccccc1NCC2=NCCN2 34a_100000210025_100000737910 [1,0,0,0,0,1|1,0,0]=3 563 B16R2.1480 COc1ccccc1NCC2OCCO2 34a_100000210025_100000755774 [1,0,0,0,0,1|1,0,1]=4 564 B16R2.1480 COc1ccccc1NCc2ncco2 34a_100000210025_103436540062 [1,0,0,0,0,1|0,0,2]=4 565 B16R2.1480 COc1ccccc1NN=C2CCCC2 4a_100000751209_100000210133 [1,0,0,0,0,1|2,0,0]=4 566 B16R2.1480 COc1ccccc1OCC2=NCCN2 34a_100000210385_100000737910 [1,0,0,0,0,1|2,0,0]=4 567 B16R2.1480 COc1ccccc1SCC2=NCCN2 62a_100000210334_100000737910 [1,0,0,0,0,1|2,0,0]=4 568 B16R2.1480 COc1ccccc1SCC2=NCCN2 62a_100000737910_100000210334 [1,0,0,0,0,1|2,0,0]=4 569 B16R2.1480 CSc1ccccc1NCC2=NCCN2 34a_100000211160_100000737910 [1,0,0,0,0,1|1,1,0]=4 570 B16R2.3259 Cc1cccc(c1NC2CCCOC2)C 34a_100000185769_100000693364 [1,0,0,0,0,1|1,0,1]=4 571 B16R2.3259 Cc1cccc(c1NC2CCCOC2)O 34a_100000743429_100000693364 [1,0,0,0,0,1|1,0,1]=4 572 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)Br 34a_100011834072_100000737910 [1,0,0,0,0,1|2,0,0]=4 573 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)C 34a_100000185769_100000737910 [1,0,0,0,0,1|1,0,0]=3 574 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)Cl 34a_100000756524_100000737910 [1,0,0,0,0,1|2,0,0]=4 575 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)F 34a_100000766463_100000737910 [1,0,0,0,0,1|2,0,0]=4 576 B16R2.25778 Cc1cccc(c1NCC2=NCCN2)O 34a_100000743429_100000737910 [1,0,0,0,0,1|1,0,0]=3 577 B16R2.25778 Cc1cccc(c1NCC2OCCO2)C 34a_100000185769_100000755774 [1,0,0,0,0,1|1,0,1]=4 578 B16R2.25778 Cc1cccc(c1NCC2OCCO2)O 34a_100000743429_100000755774 [1,0,0,0,0,1|1,0,1]=4 579 B16R2.25778 Cc1cccc(c1NCc2ncco2)C 34a_100000185769_103436540062 [1,0,0,0,0,1|0,0,2]=4 580 B16R2.25778 Cc1cccc(c1NCc2ncco2)O 34a_100000743429_103436540062 [1,0,0,0,0,1|0,0,2]=4 581 B16R2.25778 Cc1cccc(c1NN=C2CCCC2)C 4a_100016987787_100000210133 [1,0,0,0,0,1|2,0,0]=4 582 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)C 34a_100000210341_100000737910 [1,0,0,0,0,1|2,0,0]=4 583 B16R2.25778 Cc1cccc(c1OCC2=NCCN2)C 7a_100000210341_100000737910 [1,0,0,0,0,1|2,0,0]=4 584 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)C 62a_100000033847_100000737910 [1,0,0,0,0,1|2,0,0]=4 585 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)C 62a_100000737910_100000033847 [1,0,0,0,0,1|2,0,0]=4 586 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)O 62a_100000686692_100000737910 [1,0,0,0,0,1|2,0,0]=4 587 B16R2.25778 Cc1cccc(c1SCC2=NCCN2)O 62a_100000737910_100000686692 [1,0,0,0,0,1|2,0,0]=4 588 B16R2.25778 Oc1cccc(c1NCC2=NCCN2)Br 34a_100011934926_100000737910 [1,0,0,0,0,1|2,0,0]=4 589 B16R2.25778 Oc1cccc(c1NCC2=NCCN2)Cl 34a_100012022510_100000737910 [1,0,0,0,0,1|2,0,0]=4 590 B16R2.25778 Oc1cccc(c1NCC2=NCCN2)F 34a_100020591140_100000737910 [1,0,0,0,0,1|2,0,0]=4 591 B18R2.1451 CCc1cccc(c1NN=C2CCCOC2)C 4a_100000726828_100000753404 [0,0,0,0,0,2|2,0,0]=4 592 B18R2.1451 COc1cccc(c1CNC2CCCOC2)C 207a_100000719290_100000050978 [0,0,0,0,0,2|1,0,1]=4 593 B18R2.1451 COc1cccc(c1CNC2CCCOC2)C 270004a_100000719290_100000050978 [0,0,0,0,0,2|1,0,1]=4 594 B18R2.1451 COc1cccc(c1NCC2CCCCO2)C 2230a_100000758225_100000211543 [0,0,0,0,0,2|1,0,1]=4 595 B18R2.1451 COc1cccc(c1NCC2CCCCO2)C 34a_100000758225_100000211543 [0,0,0,0,0,2|1,0,1]=4 596 B18R2.1451 COc1cccc(c1NCC2CCCOC2)C 2230a_100000758225_100000741521 [0,0,0,0,0,2|1,0,1]=4 597 B18R2.1451 COc1cccc(c1NCC2CCCOC2)C 34a_100000758225_100000741521 [0,0,0,0,0,2|1,0,1]=4 598 B18R2.118118 COc1cccc(c1CNCC2=NCCN2)F 34a_100016992011_100000737910 [0,0,0,0,0,2|2,0,0]=4 599 B18R2.118118 COc1cccc(c1CNCC2OCCO2)C 207a_100000036311_100000050978 [0,0,0,0,0,2|1,0,1]=4 600 B18R2.118118 COc1cccc(c1CNCC2OCCO2)C 270004a_100000036311_100000050978 [0,0,0,0,0,2|1,0,1]=4 601 B18R2.118118 COc1cccc(c1CNC[C@@H]2CCCO2)C 207a_100020590478_100000050978 [0,0,0,0,0,2|1,0,1]=4 602 B18R2.118118 COc1cccc(c1CNC[C@@H]2CCCO2)C 270004a_100020590478_100000050978 [0,0,0,0,0,2|1,0,1]=4 603 B18R2.118118 COc1cccc(c1CNCc2ncco2)C 207a_100016994969_100000050978 [0,0,0,0,0,2|0,0,2]=4 604 B18R2.118118 COc1cccc(c1NCCC2OCCO2)C 2230a_100000758225_100000740749 [0,0,0,0,0,2|1,0,1]=4 605 B18R2.118118 COc1cccc(c1NCCC2OCCO2)C 34a_100000758225_100000740749 [0,0,0,0,0,2|1,0,1]=4