0 B9R1.8 CNCc1ncccn1 DA-47975 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.8 c1c(cncn1)CC#N DA-37016 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.8 c1c(cncn1)CCO DA-40983 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.8 c1ccc(cc1)CNN DA-35038 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.8 c1cnncc1CCN DA-38977 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.2 CNc1ccnnc1 DA-43581 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.2 c1cnncc1CCl DA-22266 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.1 C#CCc1ccc(cc1)F DA-29379 [0,1,0,0,0,0|1,0,1]=3 8 B10R1.1 CCCc1ccc(cn1)Br DA-37809 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.1 CCNc1ccc(cn1)N DA-42218 [0,1,0,0,0,0|3,0,0]=4 10 B10R1.1 CCNc1ccc(nc1)N DA-48356 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.1 CCOc1ccc(cn1)O DA-26280 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.1 CNCc1ccc(nc1)Cl DA-47192 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.1 COCc1ccc(cn1)Br DA-37882 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.1 COCc1ccc(cn1)Cl DA-37599 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.1 Cc1ccc(cn1)CCBr DA-38792 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.1 Cc1ccc(cn1)CCCl DA-38785 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.1 Cc1ccc(cn1)CNC DA-47190 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.1 Cc1ccc(nc1)CCO DA-37120 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.1 c1cc(ccc1CCCl)I DA-31416 [0,1,0,0,0,0|1,0,0]=2 20 B10R1.1 c1cc(ccc1N)OCF DA-45699 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.1 c1cc(ncc1Br)CCN DA-37808 [0,1,0,0,0,0|1,0,0]=2 22 B10R1.1 c1cc(ncc1Cl)CC#N DA-37547 [0,1,0,0,0,0|1,0,2]=4 23 B10R1.1 c1cc(ncc1Cl)CCN DA-38905 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.4 C=CCc1ccccc1Br DA-29692 [0,1,0,0,0,0|1,0,1]=3 25 B10R1.4 CCCc1c(=O)[nH]ccn1 DA-23242 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.4 COCc1ccncc1Br DA-45716 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.4 Cc1c(cccn1)CNC DA-41721 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.4 Cc1cccnc1CCN DA-23374 [0,1,0,0,0,0|1,0,0]=2 29 B10R1.4 c1cc(c(nc1)Br)CC=O DA-26888 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.4 c1ccc(c(c1)CCCl)F DA-31423 [0,1,0,0,0,0|1,0,0]=2 31 B10R1.10 C=CCc1cccc(c1)Br DA-29840 [0,1,0,0,0,0|1,0,1]=3 32 B10R1.10 C=CCc1cccc(c1)O DA-24348 [0,1,0,0,0,0|1,0,1]=3 33 B10R1.10 CCCc1cccc(c1)Br DA-29653 [0,1,0,0,0,0|1,0,0]=2 34 B10R1.10 CCCc1ccnc(c1)N DA-38978 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.10 CCNc1ccnc(c1)Cl DA-26361 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.10 CCOc1cc(ccn1)I DA-26283 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.10 CNCc1cc(ccn1)Cl DA-39516 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.10 CNCc1cc(cnc1)Br DA-37657 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.10 COCc1ccnc(c1)Cl DA-26602 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.10 COCc1ccnc(c1)N DA-22170 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.10 Cc1cccc(c1)CCO DA-23326 [0,1,0,0,0,0|1,0,0]=2 42 B10R1.10 Cc1cccc(n1)CCO DA-36020 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.10 c1cc(cc(c1)Cl)CCBr DA-41786 [0,1,0,0,0,0|1,0,0]=2 44 B10R1.10 c1cc(cc(c1)Cl)CCCl DA-29568 [0,1,0,0,0,0|1,0,0]=2 45 B10R1.10 c1cc(cc(c1)Cl)CCO DA-23731 [0,1,0,0,0,0|1,0,0]=2 46 B10R1.10 c1cc(cc(c1)I)CCO DA-23505 [0,1,0,0,0,0|1,0,0]=2 47 B10R1.15 C#CC(c1cccnc1)O DA-30570 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.15 CC(c1ccccc1)ON DA-42022 [0,1,0,0,0,0|1,0,0]=2 49 B10R1.15 CNC(=N)c1ccccc1 DA-42718 [0,1,0,0,0,0|2,0,1]=4 50 B10R1.17 C#CCNc1ccccc1 DA-44583 [0,1,0,0,0,0|1,0,1]=3 51 B10R1.17 CCC#Cc1ccccc1 DA-23884 [0,1,0,0,0,0|1,0,1]=3 52 B10R1.17 c1ccc(cc1)C=CCCl DA-32036 [0,1,0,0,0,0|1,0,1]=3 53 B10R1.17 c1ccnc(c1)NCCN DA-39978 [0,1,0,0,0,0|1,0,0]=2 54 B10R1.18 C=C(Cc1ccccc1)Br DA-32140 [0,1,0,0,0,0|1,0,1]=3 55 B10R1.18 CC(=N)Nc1ccccc1 DA-44930 [0,1,0,0,0,0|1,0,2]=4 56 B10R2.6 c1cc(cnc1)C2CO2 DA-25327 [0,0,0,1,0,0|2,0,0]=3 57 B10R2.6 c1ccnc(c1)C2CC2 DA-26302 [0,0,0,1,0,0|2,0,0]=3 58 B10R2.6 c1ccnc(c1)C2CO2 DA-28571 [0,0,0,1,0,0|2,0,0]=3 59 B10R2.7 c1cc2c(nc1)CCN2 DA-27427 [0,0,0,1,0,0|1,0,0]=2 60 B8R1.8 C=CCc1cccs1 DA-28564 [0,0,0,0,1,0|2,0,1]=4 61 B8R1.8 CCCn1cccn1 DA-29084 [0,0,0,0,1,0|3,0,0]=4 62 B8R1.8 c1c(scn1)CCO DA-36994 [0,0,0,0,1,0|3,0,0]=4 63 B8R1.8 c1csc(n1)CCN DA-25633 [0,0,0,0,1,0|2,0,0]=3 64 B8R1.8 c1csc(n1)CCO DA-25632 [0,0,0,0,1,0|3,0,0]=4 65 B7R1.3 C1C=C(C=CO1)N DA-26180 [2,0,0,0,0,0|1,0,1]=4 66 B9R1.1 CSc1ccc(cn1)N DA-36737 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.1 Cc1ccc(nn1)CN DA-36944 [1,1,0,0,0,0|2,0,0]=4 68 B9R1.1 c1c(cnc(n1)CN)Cl DA-30847 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.1 c1cc(ccc1CCl)O DA-22267 [1,1,0,0,0,0|1,0,0]=3 70 B9R1.1 c1cc(ncc1F)CN DA-37359 [1,1,0,0,0,0|1,0,0]=3 71 B9R1.1 c1cc(ncc1NN)Br DA-26787 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.2 CCc1cc(ccn1)C DA-26238 [1,1,0,0,0,0|1,0,0]=3 73 B9R1.2 CCc1cc(cnc1)N DA-37387 [1,1,0,0,0,0|1,0,0]=3 74 B9R1.2 CCc1nccc(n1)N DA-26235 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.2 CNc1cccc(n1)Br DA-36388 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.2 CNc1ccnc(c1)Br DA-26723 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.2 Cc1cc(ccn1)NC DA-41965 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.2 Cc1cc(ccn1)NN DA-39373 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.2 Cc1cc(cnc1)NN DA-23579 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.2 Cc1nccc(n1)CN DA-43181 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.2 c1c(cncc1Cl)CBr DA-24964 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.2 c1c(cncc1Cl)CCl DA-23779 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.2 c1c[nH]c(=O)cc1CBr DA-22293 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.2 c1cc([nH]c(=O)c1)CO DA-36752 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.2 c1cc(cc(c1)Cl)CI DA-29565 [1,1,0,0,0,0|1,0,0]=3 86 B9R1.2 c1cc(nc(c1)F)CBr DA-36778 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.2 c1cc(nc(c1)N)CN DA-36612 [1,1,0,0,0,0|1,0,0]=3 88 B9R1.2 c1cnc(cc1Br)CN DA-31952 [1,1,0,0,0,0|1,0,0]=3 89 B9R1.2 c1cnc(cc1Cl)CBr DA-27806 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.2 c1cnc(cc1Cl)CCl DA-39718 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.2 c1cnc(nc1O)CN DA-28953 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.15 CCc1c(cccn1)Br DA-24056 [1,1,0,0,0,0|1,0,0]=3 93 B9R1.15 CCc1c(cncn1)N DA-39423 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.15 CCc1c(nccn1)N DA-40416 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.15 CSc1ccccc1[Zn+] DA-35007 [1,1,0,0,0,0|1,0,0]=3 96 B9R1.15 Cc1c(cccn1)NN DA-23582 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.15 Cc1ccccc1CI DA-30617 [1,1,0,0,0,0|1,0,0]=3 98 B9R1.15 c1cc(c(=O)[nH]c1)CO DA-42463 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.15 c1ccc(c(c1)CI)Cl DA-29576 [1,1,0,0,0,0|1,0,0]=3 100 B9R1.15 c1cncc(c1CBr)Cl DA-22299 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.15 c1cncc(c1CCl)Cl DA-23825 [1,1,0,0,0,0|2,0,0]=4 102 B9R1.15 c1cncc(c1O)NN DA-23580 [1,1,0,0,0,0|2,0,0]=4 103 B9R1.7 Cc1cc(n[nH]1)CCN DA-37151 [0,1,0,0,1,0|2,0,0]=4 104 B9R1.7 Cc1csc(n1)CCN DA-39132 [0,1,0,0,1,0|2,0,0]=4 105 B9R1.7 Cn1cc(nc1)CCN DA-29244 [0,1,0,0,1,0|2,0,0]=4 106 B9R1.12 CNCCc1ccco1 DA-44520 [0,1,0,0,1,0|1,0,0]=3 107 B9R1.12 CNCCc1cccs1 DA-41516 [0,1,0,0,1,0|1,0,0]=3 108 B9R1.12 c1cc(oc1)CCCBr DA-28480 [0,1,0,0,1,0|2,0,0]=4 109 B9R1.12 c1cc(oc1)CCCO DA-26189 [0,1,0,0,1,0|2,0,0]=4 110 B9R1.12 c1ccn(c1)CCCI DA-31183 [0,1,0,0,1,0|2,0,0]=4 111 B9R1.13 CC(Cc1nccs1)N DA-30516 [0,1,0,0,1,0|2,0,0]=4 112 B9R1.13 CC(Cn1cccn1)N DA-31631 [0,1,0,0,1,0|2,0,0]=4 113 B9R1.33 Cc1cccn1CCN DA-25957 [0,1,0,0,1,0|1,0,0]=3 114 B9R1.33 Cc1ccsc1CCO DA-28107 [0,1,0,0,1,0|2,0,0]=4 115 B11R1.1 C#CCCc1ccc(cc1)Br DA-41405 [0,2,0,0,0,0|1,0,0]=3 116 B11R1.1 CC#CCc1ccc(cc1)F DA-30679 [0,2,0,0,0,0|1,0,1]=4 117 B11R1.1 COCOc1ccc(cc1)I DA-29297 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.1 Cc1ccc(cc1)C=CCBr DA-31249 [0,2,0,0,0,0|1,0,1]=4 119 B11R1.1 c1cc(ccc1C=CCBr)Cl DA-31250 [0,2,0,0,0,0|1,0,1]=4 120 B11R1.1 c1cc(ccc1NCCN)Cl DA-45241 [0,2,0,0,0,0|0,0,0]=2 121 B11R1.1 c1cc(ccc1OCC=O)Cl DA-28223 [0,2,0,0,0,0|1,0,1]=4 122 B11R1.1 c1cc(ccc1OCCN)Br DA-28297 [0,2,0,0,0,0|0,0,0]=2 123 B11R1.1 c1cc(ncc1N)NCCO DA-42323 [0,2,0,0,0,0|2,0,0]=4 124 B11R1.1 c1cc(ncc1OCCBr)Cl DA-38794 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.20 c1cc(ncc1CC(=O)N)Cl DA-27982 [0,2,0,0,0,0|1,0,1]=4 126 B11R1.22 CCC(C)c1ccc(nc1)N DA-37012 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.22 CCC(c1ccc(nc1)C)N DA-30756 [0,2,0,0,0,0|2,0,0]=4 128 B11R1.22 Cc1ccc(cc1)C(=O)NN DA-39080 [0,2,0,0,0,0|1,0,1]=4 129 B11R1.81 CCCn1ccc(cc1=O)I DA-39288 [0,2,0,0,0,0|2,0,0]=4 130 B11R1.81 CCNc1ccc(cc1N)C DA-47718 [0,2,0,0,0,0|2,0,0]=4 131 B11R1.81 CCOc1ccc(cc1N)C DA-26279 [0,2,0,0,0,0|2,0,0]=4 132 B11R1.81 CCOc1ccc(cc1N)Cl DA-37570 [0,2,0,0,0,0|2,0,0]=4 133 B11R1.81 CCSc1ccc(cc1Cl)Br DA-46233 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.81 Cc1cc(ccc1CC=C)Br DA-29838 [0,2,0,0,0,0|1,0,1]=4 135 B11R1.81 Cc1ccc(c(c1)C)CNC DA-41403 [0,2,0,0,0,0|2,0,0]=4 136 B11R1.81 c1cc(c(cc1Br)F)CCO DA-43384 [0,2,0,0,0,0|1,0,0]=3 137 B11R1.83 CCSc1ccc(cc1)CCl DA-30671 [0,2,0,0,0,0|2,0,0]=4 138 B11R1.83 CCc1ccc(nc1)CCCl DA-28650 [0,2,0,0,0,0|2,0,0]=4 139 B11R1.83 COc1ccc(cc1)CCBr DA-31453 [0,2,0,0,0,0|1,0,0]=3 140 B11R1.83 COc1ccc(cc1)CNN DA-39196 [0,2,0,0,0,0|1,0,0]=3 141 B11R1.83 COc1ccc(cc1)CNO DA-42249 [0,2,0,0,0,0|2,0,0]=4 142 B11R1.83 c1cc(ccc1CCBr)CO DA-22878 [0,2,0,0,0,0|1,0,0]=3 143 B11R1.83 c1cc(ccc1CCCl)CO DA-22852 [0,2,0,0,0,0|1,0,0]=3 144 B11R1.192 C=CCc1ccc(c(c1)Cl)Br DA-21498 [0,2,0,0,0,0|1,0,1]=4 145 B11R1.192 CCCc1ccc(c(c1)Cl)O DA-26541 [0,2,0,0,0,0|1,0,0]=3 146 B11R1.192 CCOc1ccc(c(c1)Br)O DA-26850 [0,2,0,0,0,0|2,0,0]=4 147 B11R1.192 CCOc1ccc(c(c1)Cl)O DA-26576 [0,2,0,0,0,0|2,0,0]=4 148 B11R1.192 CCOc1ccc(c(c1)F)Cl DA-29551 [0,2,0,0,0,0|2,0,0]=4 149 B11R1.192 COCc1ccc(c(c1)Cl)O DA-26603 [0,2,0,0,0,0|2,0,0]=4 150 B11R1.192 Cc1cc(ccc1F)CC#N DA-39398 [0,2,0,0,0,0|0,0,2]=4 151 B11R1.192 Cc1cc(ccc1O)CCO DA-28168 [0,2,0,0,0,0|1,0,0]=3 152 B11R1.192 Cc1ccc(cc1Br)CCO DA-24008 [0,2,0,0,0,0|1,0,0]=3 153 B11R1.192 c1c(cnc(c1Cl)N)CCN DA-38803 [0,2,0,0,0,0|1,0,0]=3 154 B11R1.192 c1cc(c(cc1CCO)Br)O DA-24018 [0,2,0,0,0,0|1,0,0]=3 155 B11R1.192 c1cc(c(cc1CCO)Cl)O DA-23796 [0,2,0,0,0,0|1,0,0]=3 156 B11R1.13 Cc1cccc(c1C)CCN DA-41723 [0,2,0,0,0,0|0,0,0]=2 157 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCBr DA-31460 [0,2,0,0,0,0|1,0,0]=3 158 B11R1.17 CCCNc1ccccc1Br DA-26719 [0,2,0,0,0,0|1,0,0]=3 159 B11R1.17 CCCOc1ccccc1N DA-25688 [0,2,0,0,0,0|1,0,0]=3 160 B11R1.17 Cc1ccccc1C=CCBr DA-31253 [0,2,0,0,0,0|1,0,1]=4 161 B11R1.17 Cc1ccccc1CCCO DA-25812 [0,2,0,0,0,0|1,0,0]=3 162 B11R1.17 Cc1ccccc1CCNC DA-41369 [0,2,0,0,0,0|0,0,0]=2 163 B11R1.17 Cc1cccnc1CCCO DA-23373 [0,2,0,0,0,0|2,0,0]=4 164 B11R1.17 Cc1cnccc1NCCN DA-40579 [0,2,0,0,0,0|1,0,0]=3 165 B11R1.17 c1ccc(c(c1)C=CCBr)Cl DA-31254 [0,2,0,0,0,0|1,0,1]=4 166 B11R1.17 c1ccc(c(c1)N)OCCO DA-28688 [0,2,0,0,0,0|1,0,0]=3 167 B11R1.17 c1ccc(c(c1)OCCBr)Cl DA-31464 [0,2,0,0,0,0|1,0,0]=3 168 B11R1.41 COCc1ccccc1C=O DA-27659 [0,2,0,0,0,0|2,0,0]=4 169 B11R1.86 CC(=C)Cc1ccccc1O DA-28587 [0,2,0,0,0,0|1,0,1]=4 170 B11R1.86 CC(C)Cc1ccccc1N DA-26081 [0,2,0,0,0,0|1,0,0]=3 171 B11R1.86 CC(C)Cn1ccccc1=O DA-29292 [0,2,0,0,0,0|2,0,0]=4 172 B11R1.182 CCCc1cc(ccc1O)C DA-39133 [0,2,0,0,0,0|1,0,0]=3 173 B11R1.182 CCOc1cc(ccc1C)O DA-23669 [0,2,0,0,0,0|2,0,0]=4 174 B11R1.182 CCOc1cc(ccc1Cl)O DA-39643 [0,2,0,0,0,0|2,0,0]=4 175 B11R1.182 CCOc1cc(ccc1N)Br DA-42052 [0,2,0,0,0,0|2,0,0]=4 176 B11R1.182 COCc1cc(ccc1Br)Cl DA-47185 [0,2,0,0,0,0|2,0,0]=4 177 B11R1.182 Cc1ccc(c(c1)CCO)C DA-27182 [0,2,0,0,0,0|1,0,0]=3 178 B11R1.182 c1cc(c(cc1Cl)CCBr)Cl DA-28667 [0,2,0,0,0,0|1,0,0]=3 179 B11R1.182 c1cc(c(cc1Cl)CCO)Br DA-26799 [0,2,0,0,0,0|1,0,0]=3 180 B11R1.182 c1cc(c(cc1Cl)CCO)Cl DA-27227 [0,2,0,0,0,0|1,0,0]=3 181 B11R1.182 c1cc(c(cc1F)CCO)Br DA-26791 [0,2,0,0,0,0|1,0,0]=3 182 B11R1.182 c1cc(c(cc1O)CCO)Br DA-26786 [0,2,0,0,0,0|1,0,0]=3 183 B11R1.222 Cc1ccccc1C(C=C)O DA-29126 [0,2,0,0,0,0|1,0,1]=4 184 B11R1.222 c1ccc(c(c1)C(=O)CO)Cl DA-31414 [0,2,0,0,0,0|1,0,1]=4 185 B11R1.222 c1ccc(c(c1)C(CN)O)Cl DA-43120 [0,2,0,0,0,0|0,0,0]=2 186 B11R1.605 c1cc(c(c(c1)Cl)CC=O)Cl DA-27126 [0,2,0,0,0,0|1,0,1]=4 187 B11R1.23 CCC(c1cccc(c1)Br)Br DA-43571 [0,2,0,0,0,0|1,0,0]=3 188 B11R1.23 CCC(c1cccc(c1)Br)O DA-31228 [0,2,0,0,0,0|1,0,0]=3 189 B11R1.23 c1cc(cc(c1)Br)C(CO)O DA-31242 [0,2,0,0,0,0|1,0,0]=3 190 B11R1.23 c1cc(cc(c1)Cl)C(C#N)O DA-28462 [0,2,0,0,0,0|0,0,2]=4 191 B11R1.23 c1cc(cc(c1)Cl)C(CO)O DA-31207 [0,2,0,0,0,0|1,0,0]=3 192 B11R1.23 c1cc(cc(c1)N)C(=O)CBr DA-31260 [0,2,0,0,0,0|1,0,1]=4 193 B11R1.24 C=CCCc1cccc(c1)Br DA-29670 [0,2,0,0,0,0|1,0,0]=3 194 B11R1.24 CCCCc1cccc(c1)Br DA-29659 [0,2,0,0,0,0|1,0,0]=3 195 B11R1.24 CCCNc1cccc(c1)Br DA-23897 [0,2,0,0,0,0|1,0,0]=3 196 B11R1.24 CCCOc1cc(ccn1)I DA-39306 [0,2,0,0,0,0|2,0,0]=4 197 B11R1.24 CCCOc1ccnc(c1)Cl DA-26542 [0,2,0,0,0,0|2,0,0]=4 198 B11R1.24 CCNCc1cc(cnc1)Br DA-37664 [0,2,0,0,0,0|2,0,0]=4 199 B11R1.24 CNCCc1cccc(c1)O DA-24438 [0,2,0,0,0,0|0,0,0]=2 200 B11R1.24 Cc1cccc(c1)C=CCBr DA-31251 [0,2,0,0,0,0|1,0,1]=4 201 B11R1.24 Cc1cccc(c1)OCCBr DA-31462 [0,2,0,0,0,0|1,0,0]=3 202 B11R1.24 c1c(cncc1Cl)OCCBr DA-25392 [0,2,0,0,0,0|2,0,0]=4 203 B11R1.24 c1cc(cc(c1)Br)CCCN DA-25559 [0,2,0,0,0,0|0,0,0]=2 204 B11R1.24 c1cc(cc(c1)Br)OCCCl DA-29673 [0,2,0,0,0,0|1,0,0]=3 205 B11R1.24 c1cc(cc(c1)Cl)C=CCBr DA-31252 [0,2,0,0,0,0|1,0,1]=4 206 B11R1.24 c1cc(cc(c1)Cl)OCCBr DA-31463 [0,2,0,0,0,0|1,0,0]=3 207 B11R1.24 c1cc(cc(c1)O)CCC#N DA-43101 [0,2,0,0,0,0|0,0,1]=3 208 B11R1.24 c1cc(cc(c1)OCC#N)N DA-28498 [0,2,0,0,0,0|0,0,2]=4 209 B11R1.24 c1cc(cc(c1)OCCCl)N DA-25378 [0,2,0,0,0,0|1,0,0]=3 210 B11R1.24 c1cc(nc(c1)Br)CCCO DA-36466 [0,2,0,0,0,0|2,0,0]=4 211 B11R1.24 c1cnc(cc1NCCO)N DA-27050 [0,2,0,0,0,0|2,0,0]=4 212 B11R1.24 c1cnc(cc1OCCO)N DA-27049 [0,2,0,0,0,0|2,0,0]=4 213 B11R1.34 CCOc1cc(cc(c1)Br)O DA-23967 [0,2,0,0,0,0|2,0,0]=4 214 B11R1.34 c1c(cc(cc1Cl)Cl)CCBr DA-31457 [0,2,0,0,0,0|1,0,0]=3 215 B11R1.157 CC(C)Cc1cccc(c1)O DA-25332 [0,2,0,0,0,0|1,0,0]=3 216 B11R1.157 CC(C)Oc1cccc(c1)O DA-23494 [0,2,0,0,0,0|2,0,0]=4 217 B11R1.157 CN(C)Cc1cccc(c1)I DA-32026 [0,2,0,0,0,0|2,0,0]=4 218 B11R1.157 CN(C)Cc1cccc(c1)O DA-24518 [0,2,0,0,0,0|2,0,0]=4 219 B11R1.189 CCCc1cc(ccn1)CBr DA-22301 [0,2,0,0,0,0|2,0,0]=4 220 B11R1.189 CCCc1ccnc(c1)C#N DA-41756 [0,2,0,0,0,0|2,0,0]=4 221 B11R1.189 CNc1cccc(n1)CCBr DA-36894 [0,2,0,0,0,0|2,0,0]=4 222 B11R1.189 CNc1cccc(n1)CCO DA-36744 [0,2,0,0,0,0|2,0,0]=4 223 B11R1.189 COCc1cccc(c1)C=O DA-24879 [0,2,0,0,0,0|2,0,0]=4 224 B11R1.189 COCc1cccc(c1)CO DA-24878 [0,2,0,0,0,0|2,0,0]=4 225 B11R1.7 CC(CO)(c1ccccc1)N DA-40677 [0,2,0,0,0,0|1,0,0]=3 226 B11R1.12 c1ccc(cc1)C(CN)CN DA-25719 [0,2,0,0,0,0|0,0,0]=2 227 B11R1.12 c1ccnc(c1)C(CO)CO DA-28557 [0,2,0,0,0,0|2,0,0]=4 228 B11R1.16 C#CCC(c1ccccc1)N DA-29100 [0,2,0,0,0,0|1,0,0]=3 229 B11R1.16 CCCC(c1ccccc1)Br DA-32217 [0,2,0,0,0,0|1,0,0]=3 230 B11R1.16 CN(CCN)c1ccccn1 DA-40403 [0,2,0,0,0,0|1,0,0]=3 231 B11R1.16 CN(CCN)c1ccncn1 DA-45903 [0,2,0,0,0,0|2,0,0]=4 232 B11R1.28 C#CCNCc1cccnc1 DA-46374 [0,2,0,0,0,0|2,0,0]=4 233 B11R1.28 C#CCOCc1ccccc1 DA-31825 [0,2,0,0,0,0|1,0,0]=3 234 B11R1.28 CCCNCc1ccccn1 DA-42238 [0,2,0,0,0,0|2,0,0]=4 235 B11R1.28 CCCNCc1cccnc1 DA-43358 [0,2,0,0,0,0|2,0,0]=4 236 B11R1.28 CCCNCc1ccncc1 DA-41654 [0,2,0,0,0,0|2,0,0]=4 237 B11R1.28 CNCC=Cc1ccccc1 DA-41977 [0,2,0,0,0,0|0,0,1]=3 238 B11R1.28 c1cc(cnc1)OCCCN DA-25251 [0,2,0,0,0,0|1,0,0]=3 239 B11R1.28 c1ccc(cc1)OCCCN DA-23258 [0,2,0,0,0,0|0,0,0]=2 240 B11R1.40 c1cc(cnc1)CC(=O)NN DA-27595 [0,2,0,0,0,0|1,0,1]=4 241 B11R1.91 CC(=CCc1ccccc1)C DA-32020 [0,2,0,0,0,0|1,0,1]=4 242 B11R1.91 CC(=O)CCc1ccncc1 DA-22457 [0,2,0,0,0,0|2,0,0]=4 243 B11R1.91 CC(C)COc1ccccn1 DA-28579 [0,2,0,0,0,0|2,0,0]=4 244 B11R1.91 c1cc(cnc1)OCC(=O)N DA-40394 [0,2,0,0,0,0|1,0,1]=4 245 B11R1.91 c1ccc(cc1)CNC(=O)Cl DA-35039 [0,2,0,0,0,0|1,0,1]=4 246 B11R2.34 Cc1ccc(cn1)C2CO2 DA-25862 [0,1,0,1,0,0|2,0,0]=4 247 B11R2.36 c1c(cnc2c1CCC2)Cl DA-46534 [0,1,0,1,0,0|2,0,0]=4 248 B11R2.36 c1c(cnc2c1CCC2)N DA-36688 [0,1,0,1,0,0|2,0,0]=4 249 B11R2.36 c1cc(cc2c1cc[nH]2)I DA-36113 [0,1,0,1,0,0|0,0,2]=4 250 B11R2.36 c1cc2c(cc1Cl)CNC2 DA-37451 [0,1,0,1,0,0|2,0,0]=4 251 B11R2.36 c1cc2c(cc1O)CNC2 DA-33514 [0,1,0,1,0,0|2,0,0]=4 252 B11R2.10 CC1Cc2cccnc2N1 DA-27422 [0,1,0,1,0,0|1,0,0]=3 253 B11R2.20 c1cc2c(nc1)CCN=C2 DA-35858 [0,1,0,1,0,0|1,0,1]=4 254 B11R2.20 c1cc2c(nc1)CCNC2 DA-38319 [0,1,0,1,0,0|1,0,0]=3 255 B11R2.20 c1cncc2c1CCNC2 DA-30427 [0,1,0,1,0,0|1,0,0]=3 256 B11R2.55 c1cc(c(nc1)C2CC2)Br DA-24061 [0,1,0,1,0,0|2,0,0]=4 257 B11R2.106 c1cc2c(c(c1)Br)[nH]nn2 DA-35910 [0,1,0,1,0,0|2,0,0]=4 258 B11R2.106 c1cc2c(c(c1)Cl)CCO2 DA-39710 [0,1,0,1,0,0|1,0,0]=3 259 B11R2.106 c1cc2c(c(c1)N)CNC2 DA-33515 [0,1,0,1,0,0|2,0,0]=4 260 B11R2.35 c1cc(nc(c1)Br)C2CC2 DA-26754 [0,1,0,1,0,0|2,0,0]=4 261 B11R2.35 c1cnc(cc1C2CC2)Br DA-26852 [0,1,0,1,0,0|2,0,0]=4 262 B11R2.35 c1cnc(cc1C2CC2)Cl DA-26578 [0,1,0,1,0,0|2,0,0]=4 263 B11R2.1 CC1COc2c1cccc2 DA-27551 [0,1,0,1,0,0|1,0,0]=3 264 B11R2.1 c1ccc2c(c1)c([nH]n2)N DA-26181 [0,1,0,1,0,0|1,0,1]=4 265 B11R2.40 CC1(CO1)c2ccccn2 DA-28588 [0,1,0,1,0,0|2,0,0]=4 266 B11R2.40 CC1(CO1)c2cccnc2 DA-25338 [0,1,0,1,0,0|2,0,0]=4 267 B11R2.40 CC1(CO1)c2ccncc2 DA-22799 [0,1,0,1,0,0|2,0,0]=4 268 B11R2.40 c1cnccc1C2(CC2)N DA-30905 [0,1,0,1,0,0|2,0,0]=4 269 B11R2.239 c1cc(cnc1)C2CNC2 DA-25608 [0,1,0,1,0,0|1,0,0]=3 270 B11R2.239 c1cc(nnc1)C2CNC2 DA-25004 [0,1,0,1,0,0|2,0,0]=4 271 B11R2.239 c1cc(nnc1)C2CNC2 DA-25609 [0,1,0,1,0,0|2,0,0]=4 272 B11R2.239 c1cnccc1C2CNC2 DA-22343 [0,1,0,1,0,0|1,0,0]=3 273 B11R2.239 c1cnccc1C2CNC2 DA-22344 [0,1,0,1,0,0|1,0,0]=3 274 B7R1.1 CCc1cscn1 DA-39415 [1,0,0,0,1,0|2,0,0]=4 275 B7R1.1 c1c(ocn1)CN DA-38882 [1,0,0,0,1,0|2,0,0]=4 276 B7R1.1 c1cc([nH]c1)CN DA-29370 [1,0,0,0,1,0|1,0,0]=3 277 B7R1.1 c1cscc1CCl DA-42947 [1,0,0,0,1,0|2,0,0]=4