0 B9R1.69 Cc1c(cc(cn1)N)F DA-37353 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.69 Cc1cc(c(nc1)I)O DA-26090 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.69 Cc1cc(cnc1N)O DA-36577 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.69 c1c(c(cnc1Cl)F)O DA-26470 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.69 c1c(nc(c(n1)O)N)Cl DA-46279 [0,0,0,0,0,0|2,0,2]=4 5 B9R1.69 c1cc(c(cc1Br)I)Cl DA-21428 [0,0,0,0,0,0|3,1,0]=4 6 B9R1.69 c1cc(c(cc1Cl)Br)Br DA-30506 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.69 c1cc(c(cc1I)Br)O DA-26839 [0,0,0,0,0,0|2,1,1]=4 8 B9R1.69 c1cc(c(cc1N)O)Br DA-38045 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.3 c1cc(ccc1O)O DA-33570 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.4 Cc1cc(cnn1)Cl DA-41313 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.4 c1c(cnnc1Cl)O DA-36275 [1,0,0,0,0,0|1,0,1]=3 12 B8R1.4 c1cc(cc(c1)I)I DA-30260 [1,0,0,0,0,0|2,1,0]=4 13 B8R1.5 c1c(c(=O)[nH]cn1)N DA-37981 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.5 c1c[nH]cc(c1=O)N DA-24303 [1,0,0,0,0,0|3,0,0]=4 15 B8R1.5 c1cocc(c1=O)O DA-23558 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.22 Cc1cc(c(=O)n(c1)C)N DA-24339 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.22 Cn1cc(cc(c1=O)Cl)Br DA-37783 [0,1,0,0,0,0|1,1,0]=3 18 B10R1.22 Cn1cc(cc(c1=O)Cl)N DA-38020 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.22 Cn1cc(cc(c1=O)N)Cl DA-24231 [0,1,0,0,0,0|1,0,0]=2 20 B10R1.22 c1c(cc(c(c1F)N)Cl)Cl DA-27541 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.22 c1c(cc(c(c1N)N)Br)Cl DA-23978 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.25 CCc1ccc(cc1I)Cl DA-39750 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.25 CCc1ccc(cc1N)Cl DA-37567 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.25 COc1c(cc(cn1)Cl)N DA-37562 [0,1,0,0,0,0|1,0,2]=4 25 B10R1.25 Cc1cc(ccc1C=O)I DA-39309 [0,1,0,0,0,0|2,1,0]=4 26 B10R1.25 Cc1cc(ccc1CBr)Cl DA-30686 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.25 Cc1cc(cnc1C#N)Cl DA-43972 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.25 Cc1cc(cnc1C=O)Cl DA-37524 [0,1,0,0,0,0|1,0,1]=3 29 B10R1.25 c1c(c(cnc1Cl)C=O)N DA-21249 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.25 c1c(cnc(c1Br)CN)Cl DA-46495 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.25 c1c(cnc(c1Cl)CBr)Cl DA-27815 [0,1,0,0,0,0|2,0,1]=4 32 B10R1.25 c1c(cnc(c1Cl)CN)Cl DA-32066 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.25 c1c(cnc(c1Cl)CN)Cl DA-32067 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.25 c1c(cnc(c1O)C#N)Cl DA-37529 [0,1,0,0,0,0|1,0,1]=3 35 B10R1.25 c1cc(c(cc1Cl)O)CN DA-27914 [0,1,0,0,0,0|2,0,0]=3 36 B10R1.30 C#Cc1cc(c[nH]c1=O)Br DA-37778 [0,1,0,0,0,0|1,1,0]=3 37 B10R1.30 CCc1cc(ccc1N)Cl DA-39698 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.30 COc1c(ccc(n1)Cl)Br DA-23948 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.30 COc1c(ccc(n1)Cl)F DA-36311 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.30 COc1cc(cnc1N)Cl DA-46806 [0,1,0,0,0,0|1,0,1]=3 41 B10R1.30 COc1cc(ncc1F)Cl DA-26471 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.30 COc1cc(ncc1N)Cl DA-36279 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.30 Cc1c(cc(nn1)Cl)OC DA-36280 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.30 Cc1ccc(c(c1)CO)Br DA-26775 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.30 Cc1ccc(cc1CO)Br DA-37813 [0,1,0,0,0,0|2,1,0]=4 46 B10R1.30 Cc1ccc(cc1CO)I DA-46553 [0,1,0,0,0,0|2,1,0]=4 47 B10R1.30 c1c(cnc(c1CO)N)Br DA-32148 [0,1,0,0,0,0|1,1,1]=4 48 B10R1.30 c1cc(c(cc1Cl)CCl)Br DA-29622 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.30 c1cc(c(cc1Cl)NO)Cl DA-27216 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.30 c1cc(c(cc1I)CO)Br DA-26783 [0,1,0,0,0,0|2,1,0]=4 51 B10R1.30 c1cc(c(cc1I)CO)Cl DA-26462 [0,1,0,0,0,0|2,1,0]=4 52 B10R1.30 c1cc(c(cc1I)CO)F DA-42442 [0,1,0,0,0,0|2,1,0]=4 53 B10R1.30 c1cc(c(cc1N)CO)Br DA-38046 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.30 c1cc(c(cc1N)CO)O DA-38038 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.30 c1cc(c(cc1O)CO)Br DA-28941 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.118 Cc1c(cc(c(=O)[nH]1)O)Cl DA-37528 [0,1,0,0,0,0|0,0,0]=1 57 B10R1.118 Cc1c(cc(c(n1)N)Br)Cl DA-23975 [0,1,0,0,0,0|2,0,1]=4 58 B10R1.118 Cc1cc(c(cc1Br)Cl)O DA-39948 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.118 Cc1cc(c(cc1Br)O)F DA-37836 [0,1,0,0,0,0|2,1,0]=4 60 B10R1.118 Cc1cc(c(cc1C)Cl)O DA-26591 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.118 Cc1cc(c(cc1Cl)Cl)O DA-27302 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.118 Cc1cc(c(cc1Cl)O)Cl DA-27228 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.118 Cc1cc(c(cc1O)C)O DA-27190 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.118 Cc1cc(c(cc1O)Cl)Br DA-39855 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.118 Cc1cc(c(cc1O)Cl)Cl DA-21980 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.118 Cn1cc(c(=O)[nH]c1=O)Br DA-37916 [0,1,0,0,0,0|2,1,0]=4 67 B10R1.118 c1c(c(cc(c1Br)Br)Cl)Cl DA-30335 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.118 c1c(c(cc(c1Cl)Cl)I)N DA-21983 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.118 c1c(c(cc(c1Cl)O)F)N DA-21400 [0,1,0,0,0,0|2,1,0]=4 70 B10R1.118 c1c(c(cc(c1F)Br)O)O DA-39849 [0,1,0,0,0,0|1,1,1]=4 71 B10R1.118 c1c(c(cc(c1F)Cl)I)N DA-47905 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.118 c1c(c(cc(c1F)I)Br)O DA-26792 [0,1,0,0,0,0|2,1,0]=4 73 B10R1.118 c1c(c(cc(c1I)O)I)O DA-27200 [0,1,0,0,0,0|2,1,0]=4 74 B10R1.118 c1c(c(cc(c1O)Cl)Br)N DA-38015 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.118 c1c(c(nc(c1Cl)N)N)Cl DA-27163 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.118 c1c(c(nc(c1O)Br)Br)N DA-38053 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.119 Cc1c(c[nH]c(=O)c1N)Cl DA-24229 [0,1,0,0,0,0|1,0,0]=2 78 B10R1.119 Cc1c(ccc(c1N)Cl)Br DA-23947 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.119 Cc1c(ccc(c1N)N)Cl DA-41733 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.119 Cc1c(ccc(c1O)Cl)O DA-39680 [0,1,0,0,0,0|2,0,1]=4 81 B10R1.119 c1c(c(c(c(n1)Cl)N)N)Cl DA-24778 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.119 c1c(c(c(c(n1)N)I)Br)Cl DA-39852 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.119 c1cc(c(c(c1Cl)N)Cl)Br DA-24069 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.119 c1cc(c(c(c1I)O)O)I DA-24584 [0,1,0,0,0,0|2,1,0]=4 85 B10R1.119 c1cc(c(c(c1N)I)Cl)Cl DA-24772 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.119 c1cc(c(c(c1N)O)Cl)Cl DA-36611 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.176 CCc1cc(c(=O)[nH]n1)O DA-36171 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.176 c1c(cnc(c1O)Cl)C#N DA-36271 [0,1,0,0,0,0|2,0,1]=4 89 B10R1.176 c1cc(c(cc1C#N)O)Cl DA-39641 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.176 c1cc(c(cc1C#N)O)N DA-21406 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.176 c1cc(c(cc1CN)O)Cl DA-38498 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.50 c1c(c(c([nH]1)Br)Br)Br DA-27460 [0,0,0,0,1,0|2,1,0]=4 93 B7R1.3 c1cnc[nH]c1=O DA-42222 [2,0,0,0,0,0|1,0,0]=3 94 B9R1.1 c1c(ncc(=O)[nH]1)C=O DA-21965 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.1 c1cc(=O)[nH]nc1CBr DA-36777 [1,1,0,0,0,0|1,1,0]=4 96 B9R1.1 c1cc(ccc1CCl)O DA-22267 [1,1,0,0,0,0|1,0,1]=4 97 B9R1.2 c1c(cncc1Cl)CBr DA-24964 [1,1,0,0,0,0|1,0,1]=4 98 B9R1.2 c1c(cncc1Cl)CCl DA-23779 [1,1,0,0,0,0|1,0,1]=4 99 B9R1.2 c1cc(cc(c1)Cl)CI DA-29565 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.3 Cc1cccc(c1C)Cl DA-31717 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.3 c1c(c(c(cn1)Br)I)Cl DA-23976 [1,1,0,0,0,0|1,0,1]=4 102 B9R1.3 c1c(c(c(cn1)I)N)Cl DA-23768 [1,1,0,0,0,0|1,0,1]=4 103 B9R1.3 c1c(c(c(cn1)O)N)N DA-21998 [1,1,0,0,0,0|1,0,1]=4 104 B9R1.3 c1cc(c(c(c1)I)Br)O DA-28948 [1,1,0,0,0,0|1,1,0]=4 105 B9R1.3 c1cc(c(c(c1)I)O)O DA-23534 [1,1,0,0,0,0|1,1,0]=4 106 B9R1.3 c1cc(c(c(c1)O)O)N DA-24343 [1,1,0,0,0,0|2,0,0]=4 107 B9R1.3 c1cc(c(c(c1)O)O)O DA-40956 [1,1,0,0,0,0|2,0,0]=4 108 B9R1.34 c1c(cc(cc1Br)I)O DA-25564 [1,1,0,0,0,0|1,1,0]=4 109 B9R1.34 c1c(cc(cc1Cl)Br)N DA-23973 [1,1,0,0,0,0|2,0,0]=4 110 B9R1.34 c1c(cc(cc1I)I)O DA-24614 [1,1,0,0,0,0|1,1,0]=4 111 B9R1.34 c1c(cc(cc1O)Cl)N DA-24227 [1,1,0,0,0,0|1,0,0]=3 112 B9R1.15 c1cc(c(=O)[nH]c1)CO DA-42463 [1,1,0,0,0,0|0,0,0]=2 113 B9R1.22 COC1=CC(=O)NC1=O DA-23469 [0,1,0,0,1,0|1,0,0]=3 114 B9R1.22 c1c(c(sc1Cl)Cl)CO DA-27239 [0,1,0,0,1,0|2,0,0]=4 115 B11R1.8 CCn1cc(cc(c1=O)Cl)N DA-38021 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.8 c1c(cc(c(c1C=O)O)O)Cl DA-37591 [0,2,0,0,0,0|1,0,1]=4 117 B11R1.32 CC1=C(C(=O)C=C(C1=O)O)O DA-43201 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.32 Cc1c(cc(c(=O)n1C)Br)Br DA-24650 [0,2,0,0,0,0|1,1,0]=4 119 B11R1.37 COc1ccc(cc1CO)Cl DA-37563 [0,2,0,0,0,0|1,0,1]=4 120 B11R1.37 c1cc(c(cc1Cl)CO)CO DA-39761 [0,2,0,0,0,0|1,0,1]=4 121 B11R1.166 CS(=O)c1ccc(cc1N)Cl DA-37598 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.166 Cc1cc(cnc1C(=O)N)Cl DA-46645 [0,2,0,0,0,0|1,0,1]=4 123 B11R1.166 c1c(cnc(c1N)C(=O)N)Cl DA-42951 [0,2,0,0,0,0|1,0,1]=4 124 B11R1.166 c1cc(c(cc1Cl)O)[N+](=O)[O-] DA-37554 [0,2,0,0,0,0|1,0,0]=3 125 B11R1.277 COc1cc(c(cc1O)Cl)Cl DA-21981 [0,2,0,0,0,0|1,0,1]=4 126 B11R1.277 Cc1cc(c(cc1Br)C=O)O DA-37832 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.277 c1c(c(cc(c1Br)Cl)N)C=O DA-48180 [0,2,0,0,0,0|2,0,0]=4 128 B11R1.278 Cc1ccc(c(c1O)O)C=O DA-27357 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.72 c1cc(c(c(c1Cl)C=O)O)Cl DA-24592 [0,2,0,0,0,0|2,0,0]=4 130 B11R1.167 Cc1cc(c(=O)[nH]c1)N(C)C DA-24917 [0,2,0,0,0,0|2,0,0]=4 131 B11R1.182 COCc1cc(c[nH]c1=O)Br DA-37791 [0,2,0,0,0,0|0,1,0]=3 132 B11R1.182 COCc1cc(ccc1Br)Cl DA-47185 [0,2,0,0,0,0|2,0,0]=4 133 B11R1.182 COCc1cc(cnc1Cl)Cl DA-27241 [0,2,0,0,0,0|1,0,1]=4 134 B11R1.182 c1cc(c(cc1Cl)CCO)Br DA-26799 [0,2,0,0,0,0|2,0,0]=4 135 B11R1.182 c1cc(c(cc1Cl)CCO)Cl DA-27227 [0,2,0,0,0,0|2,0,0]=4 136 B11R1.192 CCCc1cc(c(=O)[nH]n1)O DA-39334 [0,2,0,0,0,0|2,0,0]=4 137 B9R1.11 c1cnoc1C(=O)NN DA-37231 [0,0,1,1,0,0|2,0,0]=4 138 B7R1.2 Cc1c[nH]c(=O)s1 DA-37141 [1,0,0,0,1,0|2,0,0]=4 139 B7R1.2 c1c([nH]c(=O)s1)N DA-21485 [1,0,0,0,1,0|2,0,0]=4 140 B7R1.2 c1c(csc1Br)Cl DA-26854 [1,0,0,0,1,0|2,0,0]=4 141 B7R1.4 c1c(c(n[nH]1)Cl)N DA-25551 [1,0,0,0,1,0|2,0,0]=4 142 B7R1.4 c1c(c(n[nH]1)Cl)N DA-25552 [1,0,0,0,1,0|2,0,0]=4