0 B8R1.2 C#Cc1ccccc1 ACT08960 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.2 C#Cc1ccccn1 ACT09195 [0,0,0,0,0,0|1,0,1]=2 2 B8R1.2 C#Cc1cccnc1 ACT01363 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.2 C#Cc1ccncc1 ACT01287 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.2 COc1ccccn1 ACT06584 [0,0,0,0,0,0|0,0,0]=0 5 B8R1.2 COc1ccncc1 ACT01615 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.2 COc1cnccn1 ACT06613 [0,0,0,0,0,0|1,0,0]=1 7 B8R1.2 CSc1cnccn1 ACT01756 [0,0,0,0,0,0|1,1,0]=2 8 B8R1.2 c1cc(cnc1)C#N ACT05843 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.2 c1cc(cnc1)C=O ACT04700 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.2 c1ccc(cc1)CS ACT06261 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 c1ccnc(c1)C#N ACT05842 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.2 c1ccnc(c1)C=O ACT07081 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.2 c1cnc(cn1)C#N ACT11023 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.2 c1cnc(cn1)CN ACT11863 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.2 c1cnc(cn1)NN ACT08309 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.2 c1cnccc1C#N ACT01368 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.2 c1cnccc1C=O ACT05935 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.2 c1cnccc1CO ACT05965 [0,0,0,0,0,0|4,0,0]=4 19 B7R1.3 Cc1cnccn1 ACT06608 [1,0,0,0,0,0|1,0,0]=2 20 B7R1.3 Cc1cncnc1 ACT01372 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.3 c1cc(=O)[nH]nc1 ACT01784 [1,0,0,0,0,0|1,0,2]=4 22 B7R1.3 c1cc(cnc1)Br ACT01584 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.3 c1cc(cnc1)Cl ACT01563 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.3 c1cc(cnc1)I ACT07335 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.3 c1cc(cnc1)N ACT09740 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.3 c1cc(cnc1)O ACT07256 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.3 c1ccc(cc1)Br ACT03428 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.3 c1ccc(cc1)I ACT05473 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.3 c1ccc(cc1)P ACT04087 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.3 c1ccnc(c1)Br ACT05539 [1,0,0,0,0,0|1,0,0]=2 31 B7R1.3 c1ccnc(c1)F ACT01456 [1,0,0,0,0,0|1,0,0]=2 32 B7R1.3 c1ccnc(c1)I ACT09780 [1,0,0,0,0,0|1,0,0]=2 33 B7R1.3 c1ccnc(c1)N ACT09785 [1,0,0,0,0,0|1,0,0]=2 34 B7R1.3 c1ccnc(c1)O ACT08592 [1,0,0,0,0,0|0,0,0]=1 35 B7R1.3 c1ccnc(c1)S ACT05649 [1,0,0,0,0,0|0,1,0]=2 36 B7R1.3 c1cnc(cn1)Br ACT01757 [1,0,0,0,0,0|2,0,0]=3 37 B7R1.3 c1cnc(cn1)Cl ACT11007 [1,0,0,0,0,0|2,0,0]=3 38 B7R1.3 c1cnc(cn1)N ACT01748 [1,0,0,0,0,0|2,0,0]=3 39 B7R1.3 c1cnc(cn1)S ACT06620 [1,0,0,0,0,0|1,1,0]=3 40 B7R1.3 c1cnc(nc1)Br ACT04714 [1,0,0,0,0,0|2,0,0]=3 41 B7R1.3 c1cnc(nc1)I ACT06633 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.3 c1cnccc1Br ACT03436 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.3 c1cnccc1Cl ACT01622 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.3 c1cnccc1N ACT05167 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.3 c1cnccc1O ACT05166 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.3 c1cnccc1O ACT09926 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.3 c1cnccc1S ACT05165 [1,0,0,0,0,0|2,1,0]=4 48 B9R1.1 C#Cc1ccc(cc1)Br ACT10256 [0,1,0,0,0,0|2,0,1]=4 49 B9R1.1 C#Cc1ccc(cc1)F ACT00296 [0,1,0,0,0,0|2,0,1]=4 50 B9R1.1 C1=CC(=O)C=CC1=NO ACT05401 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.1 C=Cc1ccc(cc1)Cl ACT07088 [0,1,0,0,0,0|2,0,1]=4 52 B9R1.1 COc1ccc(cc1)Br ACT04984 [0,1,0,0,0,0|1,0,0]=2 53 B9R1.1 COc1ccc(cn1)Br ACT01474 [0,1,0,0,0,0|0,0,0]=1 54 B9R1.1 COc1ccc(cn1)O ACT11358 [0,1,0,0,0,0|0,0,0]=1 55 B9R1.1 COc1cnc(nc1)Cl ACT06635 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.1 COc1ncc(cn1)Br ACT01648 [0,1,0,0,0,0|1,0,0]=2 57 B9R1.1 CSc1cnc(cn1)Br ACT07157 [0,1,0,0,0,0|1,1,0]=3 58 B9R1.1 Cc1ccc(cc1)C#C ACT10257 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.1 Cc1ccc(cc1)NN ACT01152 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.1 c1c(ncc(n1)Cl)CO ACT10135 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.1 c1c(ncc(n1)N)C#N ACT01755 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.1 c1cc(ccc1C#N)Br ACT01176 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.1 c1cc(ccc1C#N)I ACT08158 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.1 c1cc(ccc1C=O)O ACT01156 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.1 c1cc(ccc1CO)N ACT00253 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.1 c1cc(ccc1NN)Br ACT12528 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.1 c1cc(ccc1NN)Cl ACT02825 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.1 c1cc(ccc1NN)F ACT08904 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.1 c1cc(ncc1Br)C#N ACT01653 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.1 c1cc(ncc1Br)C=O ACT11369 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.1 c1cc(ncc1Br)NN ACT04516 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.2 C#Cc1cccc(c1)N ACT00085 [0,1,0,0,0,0|2,0,1]=4 73 B9R1.2 C=Cc1cccc(c1)Cl ACT07505 [0,1,0,0,0,0|2,0,1]=4 74 B9R1.2 COc1cc(ccn1)Br ACT01471 [0,1,0,0,0,0|0,0,0]=1 75 B9R1.2 COc1cc(cnc1)Br ACT10406 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.2 COc1cccc(c1)Br ACT04958 [0,1,0,0,0,0|1,0,0]=2 77 B9R1.2 COc1cccc(c1)S ACT04985 [0,1,0,0,0,0|1,0,0]=2 78 B9R1.2 COc1cccc(n1)Br ACT05651 [0,1,0,0,0,0|0,0,0]=1 79 B9R1.2 COc1cccc(n1)Cl ACT10158 [0,1,0,0,0,0|0,0,0]=1 80 B9R1.2 COc1cccc(n1)N ACT01441 [0,1,0,0,0,0|0,0,0]=1 81 B9R1.2 COc1ccnc(c1)N ACT04461 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.2 Cc1cccc(c1)C#C ACT10255 [0,1,0,0,0,0|2,0,1]=4 83 B9R1.2 Cc1cccc(c1)NN ACT08527 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.2 Cc1cccc(n1)C#N ACT01521 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.2 Cc1cccc(n1)C=O ACT01662 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.2 Cc1cccc(n1)CO ACT07360 [0,1,0,0,0,0|2,0,0]=3 87 B9R1.2 Cc1ccnc(c1)C#N ACT03484 [0,1,0,0,0,0|2,0,0]=3 88 B9R1.2 c1c(ncnc1Cl)CO ACT11876 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.2 c1cc(cc(c1)Br)C#N ACT00928 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.2 c1cc(cc(c1)Br)CBr ACT01196 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.2 c1cc(cc(c1)Br)CO ACT13271 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.2 c1cc(cc(c1)Br)NN ACT07730 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.2 c1cc(cc(c1)Cl)NN ACT07638 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.2 c1cc(cc(c1)F)NN ACT12550 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.2 c1cc(cc(c1)I)C#N ACT01185 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.2 c1cc(nc(c1)Br)C=O ACT01538 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.2 c1cc(nc(c1)Br)CO ACT01286 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.2 c1cc(nc(c1)Br)NN ACT07724 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.2 c1cc(nc(c1)Cl)C=O ACT11362 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.2 c1cc(nc(c1)Cl)CO ACT04533 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.2 c1cc(nc(c1)Cl)CO ACT10674 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.2 c1cc(nc(c1)Cl)NN ACT04501 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.2 c1cnc(cc1Cl)C#N ACT04438 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.2 c1cnc(cc1Cl)CO ACT04531 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.6 B(c1ccccc1)(O)O ACT02221 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.6 CC(=O)c1ccccn1 ACT06583 [0,1,0,0,0,0|1,0,0]=2 107 B9R1.6 CC(=O)c1cccnc1 ACT09581 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.6 CC(=O)c1cnccn1 ACT06619 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.6 CC(=O)c1ncccn1 ACT09814 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.6 CN(C)c1ccncc1 ACT01613 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.6 C[C@@H](c1ccccn1)N ACT09467 [0,1,0,0,0,0|1,0,0]=2 112 B9R1.6 C[C@H](c1ccccc1)N ACT09657 [0,1,0,0,0,0|2,0,0]=3 113 B9R1.6 c1ccnc(c1)C(=O)N ACT05877 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.6 c1ccnc(c1)C(=O)O ACT11782 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.6 c1ccnc(c1)C(=S)N ACT05860 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.6 c1cnc(cn1)C(=O)O ACT01760 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.8 C=CCc1ccccc1 ACT11557 [0,1,0,0,0,0|2,0,1]=4 118 B9R1.8 CCOc1cnccn1 ACT06614 [0,1,0,0,0,0|1,0,0]=2 119 B9R1.8 CNCc1ccccc1 ACT05529 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.8 CSSc1ccccc1 ACT06218 [0,1,0,0,0,0|1,1,0]=3 121 B9R1.8 c1cc(cnc1)CCN ACT01355 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.8 c1ccc(cc1)CCBr ACT03430 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.8 c1ccc(cc1)CCCl ACT03431 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.8 c1ccc(cc1)CCS ACT06273 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.8 c1ccnc(c1)CCBr ACT10142 [0,1,0,0,0,0|1,0,0]=2 126 B9R1.8 c1cnccc1CCN ACT01588 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.8 c1cnccc1CCO ACT09815 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.15 C#Cc1ccccc1F ACT10250 [0,1,0,0,0,0|2,0,1]=4 129 B9R1.15 COc1c(cccn1)I ACT04432 [0,1,0,0,0,0|0,0,0]=1 130 B9R1.15 COc1c(cccn1)N ACT07498 [0,1,0,0,0,0|0,0,0]=1 131 B9R1.15 COc1c(nccn1)Cl ACT10814 [0,1,0,0,0,0|1,0,0]=2 132 B9R1.15 COc1ccc[nH]c1=O ACT09226 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.15 COc1ccccc1Br ACT04851 [0,1,0,0,0,0|1,0,0]=2 134 B9R1.15 CSc1c(cccn1)Br ACT04436 [0,1,0,0,0,0|0,1,0]=2 135 B9R1.15 Cc1c(nccn1)SC ACT06616 [0,1,0,0,0,0|1,1,0]=3 136 B9R1.15 Cc1ccccc1C#C ACT10245 [0,1,0,0,0,0|2,0,1]=4 137 B9R1.15 Cc1ccccc1NN ACT08523 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.15 Cc1cccnc1C#N ACT11034 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.15 c1ccc(c(c1)C#N)Cl ACT08962 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.15 c1ccc(c(c1)C#N)I ACT12520 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.15 c1ccc(c(c1)CBr)F ACT00245 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.15 c1ccc(c(c1)CCl)I ACT05459 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.15 c1ccc(c(c1)CN)N ACT09072 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.15 c1ccc(c(c1)CO)I ACT05458 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.15 c1ccc(c(c1)CO)N ACT09816 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.15 c1ccc(c(c1)NN)Br ACT02736 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.15 c1ccc(c(c1)NN)Cl ACT12543 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.15 c1ccc(c(c1)NN)F ACT00607 [0,1,0,0,0,0|3,0,0]=4 149 B7R0.1 CCC=CC=CC=O ACT06050 [0,0,1,0,0,0|2,0,0]=3 150 B7R1.1 C#Cc1cccs1 ACT09722 [0,0,0,0,1,0|2,0,1]=4 151 B7R1.1 C#Cc1ccsc1 ACT10036 [0,0,0,0,1,0|2,0,1]=4 152 B7R1.1 CCc1ccco1 ACT06582 [0,0,0,0,1,0|2,0,0]=3 153 B7R1.1 CCc1ccsc1 ACT11601 [0,0,0,0,1,0|2,0,0]=3 154 B7R1.1 CCn1ccnc1 ACT08635 [0,0,0,0,1,0|3,0,0]=4 155 B7R1.1 COc1cccs1 ACT11607 [0,0,0,0,1,0|1,0,0]=2 156 B7R1.1 COc1ccsc1 ACT11613 [0,0,0,0,1,0|1,0,0]=2 157 B7R1.1 c1c(nc[nH]1)C#N ACT08386 [0,0,0,0,1,0|3,0,0]=4 158 B7R1.1 c1c(nc[nH]1)C=O ACT02030 [0,0,0,0,1,0|3,0,0]=4 159 B7R1.1 c1cc([nH]c1)C=O ACT05084 [0,0,0,0,1,0|2,0,1]=4 160 B7R1.1 c1cc(oc1)CO ACT06575 [0,0,0,0,1,0|3,0,0]=4 161 B7R1.1 c1cc(oc1)CS ACT06272 [0,0,0,0,1,0|3,0,0]=4 162 B7R1.1 c1csc(n1)C#N ACT11268 [0,0,0,0,1,0|3,0,0]=4 163 B7R1.1 c1cscc1C=O ACT02286 [0,0,0,0,1,0|3,0,0]=4 164 B7R1.1 c1cscc1CBr ACT02290 [0,0,0,0,1,0|3,0,0]=4 165 B7R1.1 c1cscc1CO ACT10114 [0,0,0,0,1,0|3,0,0]=4 166 B6R1.1 c1ccncc1 ACT11913 [2,0,0,0,0,0|0,0,0]=2 167 B6R1.1 c1cnccn1 ACT06596 [2,0,0,0,0,0|1,0,0]=3 168 B8R1.3 Cc1ccc(cc1)Cl ACT03438 [1,1,0,0,0,0|1,0,0]=3 169 B8R1.3 Cc1ccc(cc1)I ACT13438 [1,1,0,0,0,0|1,0,0]=3 170 B8R1.3 Cc1ccc(cn1)N ACT04814 [1,1,0,0,0,0|0,0,0]=2 171 B8R1.3 Cc1ccc(cn1)N ACT04814 [1,1,0,0,0,0|0,0,0]=2 172 B8R1.3 Cc1ccc(cn1)O ACT05416 [1,1,0,0,0,0|0,0,0]=2 173 B8R1.3 Cc1ccc(nc1)O ACT03720 [1,1,0,0,0,0|0,0,0]=2 174 B8R1.3 Cc1cnc(cn1)C ACT06610 [1,1,0,0,0,0|1,0,0]=3 175 B8R1.3 Cc1cnc(cn1)N ACT09845 [1,1,0,0,0,0|1,0,0]=3 176 B8R1.3 c1c(cnc(n1)Br)Br ACT01413 [1,1,0,0,0,0|2,0,0]=4 177 B8R1.3 c1c(cnc(n1)Cl)Br ACT01649 [1,1,0,0,0,0|2,0,0]=4 178 B8R1.3 c1c(cnc(n1)Cl)Cl ACT04708 [1,1,0,0,0,0|2,0,0]=4 179 B8R1.3 c1c(cnc(n1)Cl)F ACT01500 [1,1,0,0,0,0|2,0,0]=4 180 B8R1.3 c1c(cnc(n1)Cl)I ACT11316 [1,1,0,0,0,0|2,0,0]=4 181 B8R1.3 c1c(cnc(n1)Cl)O ACT07774 [1,1,0,0,0,0|2,0,0]=4 182 B8R1.3 c1c(cnc(n1)F)Br ACT04711 [1,1,0,0,0,0|2,0,0]=4 183 B8R1.3 c1c(cnc(n1)I)Br ACT01645 [1,1,0,0,0,0|2,0,0]=4 184 B8R1.3 c1c(cnc(n1)I)Cl ACT06628 [1,1,0,0,0,0|2,0,0]=4 185 B8R1.3 c1c(cnc(n1)N)Br ACT01308 [1,1,0,0,0,0|2,0,0]=4 186 B8R1.3 c1c(ncc(n1)Br)N ACT01747 [1,1,0,0,0,0|2,0,0]=4 187 B8R1.3 c1c(ncc(n1)Br)O ACT01749 [1,1,0,0,0,0|1,0,0]=3 188 B8R1.3 c1cc(ccc1Br)Br ACT03271 [1,1,0,0,0,0|2,0,0]=4 189 B8R1.3 c1cc(ccc1Br)I ACT05996 [1,1,0,0,0,0|2,0,0]=4 190 B8R1.3 c1cc(ccc1Cl)Br ACT03424 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.3 c1cc(ccc1F)Br ACT03427 [1,1,0,0,0,0|2,0,0]=4 192 B8R1.3 c1cc(ccc1F)I ACT00292 [1,1,0,0,0,0|2,0,0]=4 193 B8R1.3 c1cc(ccc1N)I ACT00167 [1,1,0,0,0,0|2,0,0]=4 194 B8R1.3 c1cc(ccc1O)I ACT05464 [1,1,0,0,0,0|1,0,0]=3 195 B8R1.3 c1cc(ncc1Br)Br ACT01379 [1,1,0,0,0,0|1,0,0]=3 196 B8R1.3 c1cc(ncc1Br)Cl ACT07051 [1,1,0,0,0,0|1,0,0]=3 197 B8R1.3 c1cc(ncc1Br)F ACT01646 [1,1,0,0,0,0|1,0,0]=3 198 B8R1.3 c1cc(ncc1Br)I ACT01445 [1,1,0,0,0,0|1,0,0]=3 199 B8R1.3 c1cc(ncc1Br)N ACT01339 [1,1,0,0,0,0|1,0,0]=3 200 B8R1.3 c1cc(ncc1Br)O ACT01650 [1,1,0,0,0,0|0,0,0]=2 201 B8R1.3 c1cc(ncc1Cl)N ACT01437 [1,1,0,0,0,0|1,0,0]=3 202 B8R1.3 c1cc(ncc1F)Cl ACT01499 [1,1,0,0,0,0|1,0,0]=3 203 B8R1.3 c1cc(ncc1I)Cl ACT04468 [1,1,0,0,0,0|1,0,0]=3 204 B8R1.3 c1cc(ncc1I)N ACT01433 [1,1,0,0,0,0|1,0,0]=3 205 B8R1.3 c1cc(ncc1N)Br ACT05519 [1,1,0,0,0,0|1,0,0]=3 206 B8R1.3 c1cc(ncc1N)Cl ACT05515 [1,1,0,0,0,0|1,0,0]=3 207 B8R1.3 c1cc(ncc1N)O ACT04951 [1,1,0,0,0,0|0,0,0]=2 208 B8R1.3 c1cc(ncc1O)Br ACT05329 [1,1,0,0,0,0|1,0,0]=3 209 B8R1.3 c1cc(ncc1O)Cl ACT01291 [1,1,0,0,0,0|1,0,0]=3 210 B8R1.3 c1cc(ncc1O)F ACT01454 [1,1,0,0,0,0|1,0,0]=3 211 B8R1.3 c1cc(ncc1O)N ACT01298 [1,1,0,0,0,0|1,0,0]=3 212 B8R1.4 Cc1cc(ccn1)N ACT01463 [1,1,0,0,0,0|0,0,0]=2 213 B8R1.4 Cc1cc(cnc1)Br ACT06735 [1,1,0,0,0,0|2,0,0]=4 214 B8R1.4 Cc1cc(cnc1)N ACT06734 [1,1,0,0,0,0|2,0,0]=4 215 B8R1.4 Cc1cccc(c1)I ACT05470 [1,1,0,0,0,0|1,0,0]=3 216 B8R1.4 Cc1cccc(n1)Br ACT01537 [1,1,0,0,0,0|0,0,0]=2 217 B8R1.4 Cc1cccc(n1)Cl ACT01505 [1,1,0,0,0,0|0,0,0]=2 218 B8R1.4 Cc1cccc(n1)N ACT01440 [1,1,0,0,0,0|0,0,0]=2 219 B8R1.4 Cc1cccc(n1)O ACT06907 [1,1,0,0,0,0|0,0,0]=2 220 B8R1.4 Cc1ccnc(c1)Br ACT04704 [1,1,0,0,0,0|1,0,0]=3 221 B8R1.4 Cc1ccnc(c1)Cl ACT05469 [1,1,0,0,0,0|1,0,0]=3 222 B8R1.4 Cc1ccnc(c1)N ACT11127 [1,1,0,0,0,0|1,0,0]=3 223 B8R1.4 Cc1ccnc(c1)O ACT08283 [1,1,0,0,0,0|0,0,0]=2 224 B8R1.4 Cc1ccnc(n1)O ACT08959 [1,1,0,0,0,0|1,0,0]=3 225 B8R1.4 Cc1cncc(n1)Cl ACT11347 [1,1,0,0,0,0|1,0,0]=3 226 B8R1.4 Cc1cncc(n1)N ACT11343 [1,1,0,0,0,0|1,0,0]=3 227 B8R1.4 Cc1cncc(n1)O ACT11353 [1,1,0,0,0,0|1,0,0]=3 228 B8R1.4 c1c(cncc1Br)O ACT10407 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.4 c1c(cncc1Br)O ACT10407 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.4 c1c(cncc1Cl)O ACT08732 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.4 c1c(cncc1F)O ACT05333 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.4 c1c(ncnc1Cl)Cl ACT10415 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.4 c1cc(cc(c1)Br)Br ACT03347 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.4 c1cc(cc(c1)Br)Cl ACT03422 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.4 c1cc(cc(c1)Br)N ACT07924 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.4 c1cc(cc(c1)F)N ACT05075 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.4 c1cc(cc(c1)I)Br ACT05730 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.4 c1cc(cc(c1)I)N ACT11585 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.4 c1cc(cc(c1)I)O ACT00797 [1,1,0,0,0,0|1,0,0]=3 240 B8R1.4 c1cc(cc(c1)O)N ACT04954 [1,1,0,0,0,0|1,0,0]=3 241 B8R1.4 c1cc(cc(c1)O)N ACT07279 [1,1,0,0,0,0|1,0,0]=3 242 B8R1.4 c1cc(nc(c1)Br)Br ACT04553 [1,1,0,0,0,0|1,0,0]=3 243 B8R1.4 c1cc(nc(c1)Br)N ACT03472 [1,1,0,0,0,0|1,0,0]=3 244 B8R1.4 c1cc(nc(c1)Cl)Cl ACT11047 [1,1,0,0,0,0|1,0,0]=3 245 B8R1.4 c1cc(nc(c1)Cl)N ACT04480 [1,1,0,0,0,0|1,0,0]=3 246 B8R1.4 c1cc(nc(c1)Cl)O ACT04499 [1,1,0,0,0,0|0,0,0]=2 247 B8R1.4 c1cc(nc(c1)F)N ACT01340 [1,1,0,0,0,0|1,0,0]=3 248 B8R1.4 c1cc(nc(c1)O)N ACT01322 [1,1,0,0,0,0|0,0,0]=2 249 B8R1.4 c1cnc(cc1Br)Cl ACT01496 [1,1,0,0,0,0|1,0,0]=3 250 B8R1.4 c1cnc(cc1Br)I ACT10965 [1,1,0,0,0,0|1,0,0]=3 251 B8R1.4 c1cnc(cc1Br)N ACT01309 [1,1,0,0,0,0|1,0,0]=3 252 B8R1.4 c1cnc(cc1Cl)Br ACT01352 [1,1,0,0,0,0|1,0,0]=3 253 B8R1.4 c1cnc(cc1Cl)N ACT01317 [1,1,0,0,0,0|1,0,0]=3 254 B8R1.4 c1cnc(cc1Cl)O ACT05243 [1,1,0,0,0,0|0,0,0]=2 255 B8R1.4 c1cnc(cc1I)F ACT07574 [1,1,0,0,0,0|1,0,0]=3 256 B8R1.4 c1cnc(cc1N)Br ACT01351 [1,1,0,0,0,0|1,0,0]=3 257 B8R1.4 c1cnc(cc1O)Cl ACT04603 [1,1,0,0,0,0|1,0,0]=3 258 B8R1.4 c1cnc(cc1O)N ACT01285 [1,1,0,0,0,0|1,0,0]=3 259 B8R1.4 c1cnc(nc1Br)N ACT04459 [1,1,0,0,0,0|2,0,0]=4 260 B8R1.4 c1cnc(nc1Cl)N ACT01381 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.5 Cc1c(cccn1)N ACT01459 [1,1,0,0,0,0|0,0,0]=2 262 B8R1.5 Cc1c(cccn1)N ACT01459 [1,1,0,0,0,0|0,0,0]=2 263 B8R1.5 Cc1c(cccn1)O ACT01461 [1,1,0,0,0,0|0,0,0]=2 264 B8R1.5 Cc1ccc[nH]c1=O ACT01511 [1,1,0,0,0,0|0,0,2]=4 265 B8R1.5 Cc1ccccc1I ACT05468 [1,1,0,0,0,0|1,0,0]=3 266 B8R1.5 Cc1cccnc1Br ACT06975 [1,1,0,0,0,0|1,0,0]=3 267 B8R1.5 Cc1cccnc1N ACT04697 [1,1,0,0,0,0|1,0,0]=3 268 B8R1.5 Cc1ccncc1N ACT01358 [1,1,0,0,0,0|2,0,0]=4 269 B8R1.5 Cc1cnccc1N ACT01603 [1,1,0,0,0,0|2,0,0]=4 270 B8R1.5 c1cc(c(=O)[nH]c1)Br ACT07182 [1,1,0,0,0,0|0,0,2]=4 271 B8R1.5 c1cc(c(nc1)Br)N ACT03644 [1,1,0,0,0,0|1,0,0]=3 272 B8R1.5 c1cc(c(nc1)Cl)Br ACT01362 [1,1,0,0,0,0|1,0,0]=3 273 B8R1.5 c1cc(c(nc1)Cl)F ACT01345 [1,1,0,0,0,0|1,0,0]=3 274 B8R1.5 c1cc(c(nc1)Cl)I ACT01479 [1,1,0,0,0,0|1,0,0]=3 275 B8R1.5 c1cc(c(nc1)F)I ACT01260 [1,1,0,0,0,0|1,0,0]=3 276 B8R1.5 c1cc(c(nc1)F)O ACT07366 [1,1,0,0,0,0|1,0,0]=3 277 B8R1.5 c1cc(c(nc1)I)F ACT04430 [1,1,0,0,0,0|1,0,0]=3 278 B8R1.5 c1cc(c(nc1)I)O ACT11077 [1,1,0,0,0,0|1,0,0]=3 279 B8R1.5 c1cc(c(nc1)N)I ACT11375 [1,1,0,0,0,0|1,0,0]=3 280 B8R1.5 c1cc(c(nc1)N)N ACT01388 [1,1,0,0,0,0|1,0,0]=3 281 B8R1.5 c1cc(c(nc1)O)Cl ACT04473 [1,1,0,0,0,0|0,0,0]=2 282 B8R1.5 c1cc(c(nc1)O)N ACT01552 [1,1,0,0,0,0|0,0,0]=2 283 B8R1.5 c1cc[n+](c(c1)Br)[O-] ACT10359 [1,1,0,0,0,0|1,0,1]=4 284 B8R1.5 c1cc[n+](c(c1)O)[O-] ACT10992 [1,1,0,0,0,0|0,0,1]=3 285 B8R1.5 c1ccc(c(c1)Br)Br ACT07584 [1,1,0,0,0,0|2,0,0]=4 286 B8R1.5 c1ccc(c(c1)Br)I ACT05474 [1,1,0,0,0,0|2,0,0]=4 287 B8R1.5 c1ccc(c(c1)Cl)Br ACT03421 [1,1,0,0,0,0|2,0,0]=4 288 B8R1.5 c1ccc(c(c1)N)Br ACT07744 [1,1,0,0,0,0|2,0,0]=4 289 B8R1.5 c1ccc(c(c1)N)I ACT07811 [1,1,0,0,0,0|2,0,0]=4 290 B8R1.5 c1ccc(c(c1)O)I ACT05465 [1,1,0,0,0,0|1,0,0]=3 291 B8R1.5 c1ccc(c(c1)S)S ACT11907 [1,1,0,0,0,0|1,1,0]=4 292 B8R1.7 CC(=O)c1ccc[nH]1 ACT06589 [0,1,0,0,1,0|1,0,1]=4 293 B8R1.7 CC(=O)c1ccco1 ACT06495 [0,1,0,0,1,0|2,0,0]=4 294 B8R1.7 CC(=O)c1cccs1 ACT06591 [0,1,0,0,1,0|2,0,0]=4 295 B8R1.8 CNCc1nccs1 ACT08672 [0,1,0,0,1,0|2,0,0]=4 296 B8R1.8 CSCc1ccco1 ACT06193 [0,1,0,0,1,0|1,1,0]=4 297 B10R1.1 c1cc(ccc1CCN)Br ACT00295 [0,2,0,0,0,0|2,0,0]=4 298 B10R1.3 CCc1ccc(cc1)NN ACT08278 [0,2,0,0,0,0|2,0,0]=4 299 B10R1.3 COc1ccc(cn1)C=O ACT05370 [0,2,0,0,0,0|0,0,0]=2 300 B10R1.3 COc1ccc(nc1)C=O ACT09131 [0,2,0,0,0,0|2,0,0]=4 301 B10R1.13 CC(=O)c1ccc(cc1)I ACT08155 [0,2,0,0,0,0|2,0,0]=4 302 B10R1.13 CC(=O)c1ccc(cc1)O ACT01160 [0,2,0,0,0,0|2,0,0]=4 303 B10R1.13 CC(C)c1ccc(nn1)Cl ACT09871 [0,2,0,0,0,0|2,0,0]=4 304 B10R1.13 CN(C)c1ccc(cc1)Br ACT05793 [0,2,0,0,0,0|2,0,0]=4 305 B10R1.13 CN(C)c1ccc(cc1)N ACT05021 [0,2,0,0,0,0|2,0,0]=4 306 B10R1.13 Cc1ccc(cc1)[C@@H](C)N ACT10821 [0,2,0,0,0,0|2,0,0]=4 307 B10R1.13 Cc1ccc(cc1)[C@H](C)N ACT10694 [0,2,0,0,0,0|2,0,0]=4 308 B10R1.13 c1cc(ncc1Br)C(=O)O ACT11224 [0,2,0,0,0,0|2,0,0]=4 309 B10R1.13 c1cc(ncc1Cl)C(=O)O ACT11221 [0,2,0,0,0,0|2,0,0]=4 310 B10R1.13 c1cc(ncc1F)C(=O)O ACT11242 [0,2,0,0,0,0|2,0,0]=4 311 B10R1.25 COc1c(cc(cn1)Br)Cl ACT08945 [0,2,0,0,0,0|0,0,0]=2 312 B10R1.25 COc1ccc(cc1F)N ACT00950 [0,2,0,0,0,0|1,0,0]=3 313 B10R1.25 Cc1cc(cnc1C#N)Br ACT09036 [0,2,0,0,0,0|2,0,0]=4 314 B10R1.176 COc1ccc(c(c1)N)Cl ACT00073 [0,2,0,0,0,0|1,0,0]=3 315 B10R1.176 COc1ccc(c(c1)N)Cl ACT07778 [0,2,0,0,0,0|1,0,0]=3 316 B10R1.176 Cc1cc(ccc1Br)OC ACT08088 [0,2,0,0,0,0|1,0,0]=3 317 B10R1.2 CCc1c(c(ncn1)O)F ACT04910 [0,2,0,0,0,0|2,0,0]=4 318 B10R1.2 CCc1c(c(ncn1)O)F ACT11800 [0,2,0,0,0,0|2,0,0]=4 319 B10R1.10 CNCc1cccc(c1)Br ACT09067 [0,2,0,0,0,0|2,0,0]=4 320 B10R1.10 c1cc(cc(c1)Br)CCN ACT04669 [0,2,0,0,0,0|2,0,0]=4 321 B10R1.10 c1cc(cc(c1)F)CCN ACT05079 [0,2,0,0,0,0|2,0,0]=4 322 B10R1.10 c1cc(cc(c1)O)CCO ACT08257 [0,2,0,0,0,0|2,0,0]=4 323 B10R1.30 COc1cc(ccc1Br)O ACT11735 [0,2,0,0,0,0|1,0,0]=3 324 B10R1.30 COc1cc(ccc1N)Br ACT00157 [0,2,0,0,0,0|1,0,0]=3 325 B10R1.30 COc1cc(cnc1Cl)N ACT10225 [0,2,0,0,0,0|2,0,0]=4 326 B10R1.113 CC(=O)c1cccc(c1)F ACT04233 [0,2,0,0,0,0|2,0,0]=4 327 B10R1.113 CC(=O)c1cccc(n1)Br ACT09764 [0,2,0,0,0,0|1,0,0]=3 328 B10R1.113 Cc1cccc(n1)C(=O)O ACT04484 [0,2,0,0,0,0|2,0,0]=4 329 B10R1.113 Cc1ccnc(c1)C(=O)C ACT09887 [0,2,0,0,0,0|1,0,0]=3 330 B10R1.113 c1cc(nc(c1)Br)C(=O)O ACT01377 [0,2,0,0,0,0|2,0,0]=4 331 B10R1.113 c1cc(nc(c1)Cl)C(=O)O ACT04538 [0,2,0,0,0,0|2,0,0]=4 332 B10R1.113 c1cnc(cc1Cl)C(=O)O ACT04485 [0,2,0,0,0,0|2,0,0]=4 333 B10R1.172 CCc1cccc(n1)CO ACT09077 [0,2,0,0,0,0|1,0,0]=3 334 B10R1.172 COc1cccc(c1)C#C ACT00933 [0,2,0,0,0,0|1,0,0]=3 335 B10R1.172 COc1cccc(c1)NN ACT08057 [0,2,0,0,0,0|1,0,0]=3 336 B10R1.172 COc1cccc(n1)C=O ACT09827 [0,2,0,0,0,0|0,0,0]=2 337 B10R1.172 c1cc(nc(c1)C#N)CCl ACT09340 [0,2,0,0,0,0|2,0,0]=4 338 B10R1.172 c1cc(nc(c1)C#N)CO ACT09788 [0,2,0,0,0,0|2,0,0]=4 339 B10R1.172 c1cnc(cc1C#N)C#N ACT09486 [0,2,0,0,0,0|2,0,0]=4 340 B10R1.15 COC(=O)c1ccccn1 ACT11786 [0,2,0,0,0,0|0,0,0]=2 341 B10R1.15 COC(=O)c1cccnc1 ACT11790 [0,2,0,0,0,0|2,0,0]=4 342 B10R1.15 COC(=O)c1ccncc1 ACT11792 [0,2,0,0,0,0|2,0,0]=4 343 B10R1.15 c1ccc(cc1)[C@@H](CO)N ACT03157 [0,2,0,0,0,0|2,0,0]=4 344 B10R1.15 c1ccc(cc1)[C@H](CO)N ACT02360 [0,2,0,0,0,0|2,0,0]=4 345 B10R1.28 C[Si](C)(C)c1ccccn1 ACT08419 [0,2,0,0,0,0|1,0,0]=3 346 B10R1.61 CC(=O)c1ccccc1Cl ACT06884 [0,2,0,0,0,0|2,0,0]=4 347 B10R1.61 CC(=O)c1ccccc1F ACT10960 [0,2,0,0,0,0|2,0,0]=4 348 B10R1.61 CC(=O)c1ccccc1N ACT05476 [0,2,0,0,0,0|2,0,0]=4 349 B10R1.61 CC(=O)c1ccccc1O ACT05307 [0,2,0,0,0,0|2,0,0]=4 350 B10R1.61 CC(c1ccccc1O)N ACT10543 [0,2,0,0,0,0|2,0,0]=4 351 B10R1.61 C[C@H](c1ccccc1O)N ACT07994 [0,2,0,0,0,0|2,0,0]=4 352 B10R1.61 Cc1ccccc1C(=O)C ACT07828 [0,2,0,0,0,0|2,0,0]=4 353 B10R1.61 Cc1cccnc1[N+](=O)[O-] ACT04445 [0,2,0,0,0,0|2,0,0]=4 354 B10R1.61 c1cc(c(nc1)C(=O)O)Cl ACT01564 [0,2,0,0,0,0|2,0,0]=4 355 B10R1.61 c1cc(c(nc1)C(=O)O)N ACT11742 [0,2,0,0,0,0|2,0,0]=4 356 B10R1.4 CCNc1ccccc1C ACT11407 [0,2,0,0,0,0|2,0,0]=4 357 B10R1.4 c1ccc(c(c1)CCBr)F ACT10293 [0,2,0,0,0,0|2,0,0]=4 358 B10R1.4 c1ccc(c(c1)CCO)O ACT04258 [0,2,0,0,0,0|2,0,0]=4 359 B10R1.17 C=CCOc1ccccc1 ACT11556 [0,2,0,0,0,0|1,0,0]=3 360 B10R1.17 CCCCc1ccccn1 ACT09789 [0,2,0,0,0,0|1,0,0]=3 361 B10R1.17 CNCCc1ccccn1 ACT05580 [0,2,0,0,0,0|1,0,0]=3 362 B10R1.17 CNCCc1ccccn1 ACT05583 [0,2,0,0,0,0|1,0,0]=3 363 B10R1.17 c1ccc(cc1)C#CCO ACT02992 [0,2,0,0,0,0|2,0,0]=4 364 B10R1.18 C[C@H](Cc1ccccc1)N ACT09042 [0,2,0,0,0,0|2,0,0]=4 365 B10R1.18 c1ccnc(c1)CC(=O)O ACT04435 [0,2,0,0,0,0|1,0,1]=4 366 B10R1.20 CCc1ccccc1NN ACT06865 [0,2,0,0,0,0|2,0,0]=4 367 B10R1.20 COc1ccccc1NN ACT12535 [0,2,0,0,0,0|1,0,0]=3 368 B10R1.20 COc1ccncc1C#N ACT05114 [0,2,0,0,0,0|2,0,0]=4 369 B10R1.20 c1cc(c(nc1)CO)CO ACT01669 [0,2,0,0,0,0|2,0,0]=4 370 B10R1.245 Cc1c(c(=O)cc[nH]1)OC ACT04443 [0,2,0,0,0,0|2,0,0]=4 371 B10R2.7 B1Oc2ccccc2O1 ACT09441 [0,1,0,1,0,0|2,0,0]=4 372 B10R2.7 c1cc2c(cc[nH]2)nc1 ACT02486 [0,1,0,1,0,0|1,0,1]=4 373 B10R2.7 c1cc2c(nc1)CCC2 ACT01400 [0,1,0,1,0,0|1,0,0]=3 374 B10R2.7 c1cc2cc[nH]c2nc1 ACT02468 [0,1,0,1,0,0|1,0,1]=4 375 B6R1.2 Cc1[nH]cnn1 ACT04542 [1,0,0,0,1,0|2,0,0]=4 376 B6R1.2 Cc1c[nH]nc1 ACT08853 [1,0,0,0,1,0|2,0,0]=4 377 B6R1.2 Cc1cc[nH]c1 ACT05027 [1,0,0,0,1,0|1,0,0]=3 378 B6R1.2 Cc1cc[nH]n1 ACT05681 [1,0,0,0,1,0|1,0,0]=3 379 B6R1.2 Cc1cc[nH]n1 ACT05681 [1,0,0,0,1,0|1,0,0]=3 380 B6R1.2 Cc1nc[nH]n1 ACT11132 [1,0,0,0,1,0|2,0,0]=4 381 B6R1.2 Cn1cncn1 ACT11875 [1,0,0,0,1,0|2,0,0]=4 382 B6R1.2 c1c(nc[nH]1)Br ACT02022 [1,0,0,0,1,0|2,0,0]=4 383 B6R1.2 c1cc(oc1)Br ACT11323 [1,0,0,0,1,0|2,0,0]=4 384 B6R1.2 c1cc(sc1)S ACT06594 [1,0,0,0,1,0|1,1,0]=4 385 B6R1.2 c1cnc([nH]1)N ACT02001 [1,0,0,0,1,0|2,0,0]=4 386 B6R1.2 c1cscc1Br ACT10486 [1,0,0,0,1,0|2,0,0]=4