0 B8R1.3 Cc1ccc(cc1)Cl ACT03438 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.3 Cc1ccc(cc1)I ACT13438 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.3 Cc1ccc(cn1)N ACT04814 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.3 Cc1ccc(cn1)N ACT04814 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.3 Cc1ccc(cn1)O ACT05416 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.3 Cc1ccc(nc1)O ACT03720 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.3 Cc1cnc(cn1)C ACT06610 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.3 Cc1cnc(cn1)N ACT09845 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.3 c1c(cnc(n1)Br)Br ACT01413 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.3 c1c(cnc(n1)Cl)Br ACT01649 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.3 c1c(cnc(n1)Cl)Cl ACT04708 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.3 c1c(cnc(n1)Cl)F ACT01500 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.3 c1c(cnc(n1)Cl)I ACT11316 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.3 c1c(cnc(n1)Cl)O ACT07774 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.3 c1c(cnc(n1)F)Br ACT04711 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.3 c1c(cnc(n1)I)Br ACT01645 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.3 c1c(cnc(n1)I)Cl ACT06628 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.3 c1c(cnc(n1)N)Br ACT01308 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.3 c1c(ncc(n1)Br)N ACT01747 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.3 c1c(ncc(n1)Br)O ACT01749 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.3 c1cc(ccc1Br)Br ACT03271 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.3 c1cc(ccc1Br)I ACT05996 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.3 c1cc(ccc1Cl)Br ACT03424 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.3 c1cc(ccc1F)Br ACT03427 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.3 c1cc(ccc1F)I ACT00292 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.3 c1cc(ccc1N)I ACT00167 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.3 c1cc(ccc1O)I ACT05464 [0,0,0,0,0,0|1,0,0]=1 27 B8R1.3 c1cc(ncc1Br)Br ACT01379 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.3 c1cc(ncc1Br)Cl ACT07051 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.3 c1cc(ncc1Br)F ACT01646 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.3 c1cc(ncc1Br)I ACT01445 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.3 c1cc(ncc1Br)N ACT01339 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.3 c1cc(ncc1Br)O ACT01650 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.3 c1cc(ncc1Cl)N ACT01437 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.3 c1cc(ncc1F)Cl ACT01499 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.3 c1cc(ncc1I)Cl ACT04468 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.3 c1cc(ncc1I)N ACT01433 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.3 c1cc(ncc1N)Br ACT05519 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.3 c1cc(ncc1N)Cl ACT05515 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.3 c1cc(ncc1N)O ACT04951 [0,0,0,0,0,0|2,0,0]=2 40 B8R1.3 c1cc(ncc1O)Br ACT05329 [0,0,0,0,0,0|2,0,0]=2 41 B8R1.3 c1cc(ncc1O)Cl ACT01291 [0,0,0,0,0,0|2,0,0]=2 42 B8R1.3 c1cc(ncc1O)F ACT01454 [0,0,0,0,0,0|2,0,0]=2 43 B8R1.3 c1cc(ncc1O)N ACT01298 [0,0,0,0,0,0|2,0,0]=2 44 B7R1.3 Cc1cnccn1 ACT06608 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.3 Cc1cncnc1 ACT01372 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.3 c1c(cncn1)Br ACT01658 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.3 c1c(cncn1)Cl ACT01272 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.3 c1cc(=O)[nH]nc1 ACT01784 [1,0,0,0,0,0|2,0,1]=4 49 B7R1.3 c1cc(cnc1)Br ACT01584 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.3 c1cc(cnc1)Cl ACT01563 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.3 c1cc(cnc1)I ACT07335 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.3 c1cc(cnc1)N ACT09740 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.3 c1cc(cnc1)O ACT07256 [1,0,0,0,0,0|1,0,0]=2 54 B7R1.3 c1ccc(cc1)Br ACT03428 [1,0,0,0,0,0|1,0,0]=2 55 B7R1.3 c1ccc(cc1)I ACT05473 [1,0,0,0,0,0|1,0,0]=2 56 B7R1.3 c1ccc(cc1)P ACT04087 [1,0,0,0,0,0|1,0,0]=2 57 B7R1.3 c1ccnc(c1)Br ACT05539 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.3 c1ccnc(c1)F ACT01456 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.3 c1ccnc(c1)I ACT09780 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.3 c1ccnc(c1)N ACT09785 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.3 c1ccnc(c1)O ACT08592 [1,0,0,0,0,0|1,0,0]=2 62 B7R1.3 c1ccnc(c1)S ACT05649 [1,0,0,0,0,0|1,1,0]=3 63 B7R1.3 c1cnc(cn1)Br ACT01757 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.3 c1cnc(cn1)Cl ACT11007 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.3 c1cnc(cn1)N ACT01748 [1,0,0,0,0,0|3,0,0]=4 66 B7R1.3 c1cnc(cn1)S ACT06620 [1,0,0,0,0,0|2,1,0]=4 67 B7R1.3 c1cnc(nc1)Br ACT04714 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.3 c1cnc(nc1)I ACT06633 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.3 c1cnccc1Br ACT03436 [1,0,0,0,0,0|2,0,0]=3 70 B7R1.3 c1cnccc1Cl ACT01622 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.3 c1cnccc1N ACT05167 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.3 c1cnccc1O ACT05166 [1,0,0,0,0,0|1,0,0]=2 73 B7R1.3 c1cnccc1O ACT09926 [1,0,0,0,0,0|1,0,0]=2 74 B7R1.3 c1cnccc1S ACT05165 [1,0,0,0,0,0|1,1,0]=3 75 B9R1.1 C#Cc1ccc(cc1)Br ACT10256 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.1 C#Cc1ccc(cc1)F ACT00296 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.1 C1=CC(=O)C=CC1=NO ACT05401 [0,1,0,0,0,0|0,0,1]=2 78 B9R1.1 C=Cc1ccc(cc1)Cl ACT07088 [0,1,0,0,0,0|2,0,0]=3 79 B9R1.1 COc1ccc(cc1)Br ACT04984 [0,1,0,0,0,0|1,0,0]=2 80 B9R1.1 COc1ccc(cn1)Br ACT01474 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.1 COc1ccc(cn1)O ACT11358 [0,1,0,0,0,0|1,0,0]=2 82 B9R1.1 COc1cnc(nc1)Cl ACT06635 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.1 COc1ncc(cn1)Br ACT01648 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.1 Cc1ccc(cc1)C#C ACT10257 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.1 Cc1ccc(cc1)NN ACT01152 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.1 Cc1ccc(cn1)C=O ACT01664 [0,1,0,0,0,0|2,0,1]=4 87 B9R1.1 c1c(ncc(n1)Cl)CO ACT10135 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.1 c1cc(ccc1C#N)Br ACT01176 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.1 c1cc(ccc1C#N)I ACT08158 [0,1,0,0,0,0|2,0,0]=3 90 B9R1.1 c1cc(ccc1C=O)O ACT01156 [0,1,0,0,0,0|0,0,1]=2 91 B9R1.1 c1cc(ccc1CO)N ACT00253 [0,1,0,0,0,0|1,0,0]=2 92 B9R1.1 c1cc(ccc1NN)Br ACT12528 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.1 c1cc(ccc1NN)Cl ACT02825 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.1 c1cc(ccc1NN)F ACT08904 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.1 c1cc(ncc1Br)C#N ACT01653 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.1 c1cc(ncc1Br)C=O ACT11369 [0,1,0,0,0,0|2,0,1]=4 97 B9R1.1 c1cc(ncc1Br)NN ACT04516 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.1 c1cc(ncc1C#N)Cl ACT05259 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.1 c1cc(ncc1C#N)Cl ACT05444 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.1 c1cc(ncc1C=O)Br ACT01267 [0,1,0,0,0,0|2,0,1]=4 101 B9R1.1 c1cc(ncc1C=O)Cl ACT06906 [0,1,0,0,0,0|2,0,1]=4 102 B9R1.1 c1cc(ncc1CCl)Cl ACT01502 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.1 c1cc(ncc1CO)Br ACT07897 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.1 c1cc(ncc1CO)Cl ACT07560 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.69 Cc1c(cc(cn1)Br)N ACT01458 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.69 Cc1c(cc(cn1)Cl)Cl ACT08046 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.69 Cc1c(ccc(n1)F)Br ACT08003 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.69 Cc1c(ccc(n1)N)Br ACT01293 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.69 Cc1cc(c(nc1)Cl)Br ACT07353 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.69 Cc1cc(c(nc1)Cl)N ACT07938 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.69 Cc1cc(c(nc1)F)Br ACT11332 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.69 Cc1cc(c(nc1)N)Br ACT07158 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.69 Cc1cc(ccc1N)I ACT06479 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.69 Cc1cc(cnc1Br)Br ACT07110 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.69 Cc1cc(cnc1Br)Cl ACT01526 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.69 Cc1cc(cnc1Br)N ACT08024 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.69 Cc1cc(cnc1Cl)Br ACT01482 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.69 Cc1cc(cnc1Cl)N ACT08018 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.69 Cc1cc(cnc1F)Br ACT07775 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.69 Cc1cc(cnc1F)Cl ACT08004 [0,1,0,0,0,0|3,0,0]=4 121 B9R1.69 Cc1cc(cnc1F)N ACT11393 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.69 Cc1cc(cnc1N)Br ACT05511 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.69 Cc1cc(cnc1O)Br ACT11183 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.69 Cc1ccc(cc1O)Br ACT00380 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.69 Cn1ccc(cc1=O)Br ACT04439 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.69 c1c(c(c[nH]c1=O)Cl)O ACT04735 [0,1,0,0,0,0|2,0,1]=4 127 B9R1.69 c1c(c(cnc1Cl)N)Cl ACT10147 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.69 c1c(c(n[nH]c1=O)O)Br ACT08983 [0,1,0,0,0,0|2,0,1]=4 129 B9R1.69 c1c(cnc(c1Br)Cl)F ACT08977 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.69 c1c(cnc(c1Br)F)Cl ACT05339 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.69 c1c(cnc(c1N)N)Br ACT01378 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.69 c1cc(c(cc1Br)Cl)I ACT01064 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.69 c1cc(c(cc1Br)F)Cl ACT12573 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.69 c1cc(c(cc1Br)N)O ACT00293 [0,1,0,0,0,0|1,0,0]=2 135 B9R1.69 c1cc(c(cc1Br)O)Cl ACT11823 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.69 c1cc(c(cc1Cl)O)Br ACT11828 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.69 c1cc(c(cc1F)Br)O ACT00974 [0,1,0,0,0,0|1,0,0]=2 138 B9R1.69 c1cc(c(cc1F)F)Br ACT06929 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.69 c1cc(c(cc1F)O)Cl ACT00392 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.69 c1cc(c(cc1I)F)N ACT11472 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.69 c1cc(c(cc1N)F)Cl ACT00090 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.69 c1cc(c(cc1N)I)N ACT08626 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.69 c1cc(c(cc1O)Br)F ACT00228 [0,1,0,0,0,0|1,0,0]=2 144 B9R1.69 c1cc(c(cc1O)Br)O ACT09875 [0,1,0,0,0,0|0,0,0]=1 145 B9R1.69 c1cc(c(cc1O)Cl)N ACT06778 [0,1,0,0,0,0|1,0,0]=2 146 B9R1.69 c1cc(c(cc1O)O)Br ACT00321 [0,1,0,0,0,0|1,0,0]=2 147 B9R1.69 c1cc(c(cc1O)O)F ACT03042 [0,1,0,0,0,0|1,0,0]=2 148 B9R1.69 c1cc(nc(c1I)Cl)Br ACT11380 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.69 c1cc(nc(c1N)Cl)Br ACT07346 [0,1,0,0,0,0|3,0,0]=4 150 B7R1.2 C1=CC(=O)NC1=O ACT09826 [0,0,0,0,1,0|1,0,2]=4 151 B7R1.2 Cc1ccc(o1)C ACT06577 [0,0,0,0,1,0|3,0,0]=4 152 B6R1.1 c1ccncc1 ACT11913 [2,0,0,0,0,0|1,0,0]=3 153 B6R1.1 c1cnccn1 ACT06596 [2,0,0,0,0,0|2,0,0]=4 154 B8R1.2 C#Cc1ccccc1 ACT08960 [1,1,0,0,0,0|1,0,0]=3 155 B8R1.2 C#Cc1ccccn1 ACT09195 [1,1,0,0,0,0|2,0,0]=4 156 B8R1.2 C#Cc1cccnc1 ACT01363 [1,1,0,0,0,0|2,0,0]=4 157 B8R1.2 C#Cc1ccncc1 ACT01287 [1,1,0,0,0,0|2,0,0]=4 158 B8R1.2 COc1ccccn1 ACT06584 [1,1,0,0,0,0|1,0,0]=3 159 B8R1.2 COc1ccncc1 ACT01615 [1,1,0,0,0,0|1,0,0]=3 160 B8R1.2 COc1cnccn1 ACT06613 [1,1,0,0,0,0|2,0,0]=4 161 B8R1.2 c1cc(cnc1)C#N ACT05843 [1,1,0,0,0,0|2,0,0]=4 162 B8R1.2 c1cc(cnc1)C=O ACT04700 [1,1,0,0,0,0|1,0,1]=4 163 B8R1.2 c1ccc(cc1)CS ACT06261 [1,1,0,0,0,0|0,1,0]=3 164 B8R1.2 c1ccnc(c1)C#N ACT05842 [1,1,0,0,0,0|2,0,0]=4 165 B8R1.2 c1ccnc(c1)C=O ACT07081 [1,1,0,0,0,0|1,0,1]=4 166 B8R1.2 c1cnccc1C#N ACT01368 [1,1,0,0,0,0|2,0,0]=4 167 B8R1.2 c1cnccc1C=O ACT05935 [1,1,0,0,0,0|1,0,1]=4 168 B8R1.2 c1cnccc1CO ACT05965 [1,1,0,0,0,0|1,0,0]=3 169 B8R1.4 Cc1cc(ccn1)N ACT01463 [1,1,0,0,0,0|2,0,0]=4 170 B8R1.4 Cc1cc(cnc1)Br ACT06735 [1,1,0,0,0,0|2,0,0]=4 171 B8R1.4 Cc1cc(cnc1)N ACT06734 [1,1,0,0,0,0|2,0,0]=4 172 B8R1.4 Cc1cccc(c1)I ACT05470 [1,1,0,0,0,0|1,0,0]=3 173 B8R1.4 Cc1cccc(n1)Br ACT01537 [1,1,0,0,0,0|2,0,0]=4 174 B8R1.4 Cc1cccc(n1)Cl ACT01505 [1,1,0,0,0,0|2,0,0]=4 175 B8R1.4 Cc1cccc(n1)N ACT01440 [1,1,0,0,0,0|2,0,0]=4 176 B8R1.4 Cc1cccc(n1)O ACT06907 [1,1,0,0,0,0|1,0,0]=3 177 B8R1.4 Cc1ccnc(c1)Br ACT04704 [1,1,0,0,0,0|2,0,0]=4 178 B8R1.4 Cc1ccnc(c1)Cl ACT05469 [1,1,0,0,0,0|2,0,0]=4 179 B8R1.4 Cc1ccnc(c1)N ACT11127 [1,1,0,0,0,0|2,0,0]=4 180 B8R1.4 Cc1ccnc(c1)O ACT08283 [1,1,0,0,0,0|1,0,0]=3 181 B8R1.4 Cc1ccnc(n1)O ACT08959 [1,1,0,0,0,0|2,0,0]=4 182 B8R1.4 Cc1cncc(n1)O ACT11353 [1,1,0,0,0,0|2,0,0]=4 183 B8R1.4 c1c(cncc1Br)Br ACT01356 [1,1,0,0,0,0|2,0,0]=4 184 B8R1.4 c1c(cncc1Br)Cl ACT10151 [1,1,0,0,0,0|2,0,0]=4 185 B8R1.4 c1c(cncc1Br)F ACT01290 [1,1,0,0,0,0|2,0,0]=4 186 B8R1.4 c1c(cncc1Br)F ACT01290 [1,1,0,0,0,0|2,0,0]=4 187 B8R1.4 c1c(cncc1Br)N ACT01375 [1,1,0,0,0,0|2,0,0]=4 188 B8R1.4 c1c(cncc1Br)N ACT01375 [1,1,0,0,0,0|2,0,0]=4 189 B8R1.4 c1c(cncc1Br)O ACT10407 [1,1,0,0,0,0|1,0,0]=3 190 B8R1.4 c1c(cncc1Br)O ACT10407 [1,1,0,0,0,0|1,0,0]=3 191 B8R1.4 c1c(cncc1Cl)N ACT11036 [1,1,0,0,0,0|2,0,0]=4 192 B8R1.4 c1c(cncc1Cl)O ACT08732 [1,1,0,0,0,0|1,0,0]=3 193 B8R1.4 c1c(cncc1F)O ACT05333 [1,1,0,0,0,0|1,0,0]=3 194 B8R1.4 c1cc(c[n+](c1)[O-])F ACT04429 [1,1,0,0,0,0|1,0,1]=4 195 B8R1.4 c1cc(cc(c1)Br)Br ACT03347 [1,1,0,0,0,0|1,0,0]=3 196 B8R1.4 c1cc(cc(c1)Br)Cl ACT03422 [1,1,0,0,0,0|1,0,0]=3 197 B8R1.4 c1cc(cc(c1)Br)N ACT07924 [1,1,0,0,0,0|1,0,0]=3 198 B8R1.4 c1cc(cc(c1)F)N ACT05075 [1,1,0,0,0,0|1,0,0]=3 199 B8R1.4 c1cc(cc(c1)I)Br ACT05730 [1,1,0,0,0,0|1,0,0]=3 200 B8R1.4 c1cc(cc(c1)I)N ACT11585 [1,1,0,0,0,0|1,0,0]=3 201 B8R1.4 c1cc(cc(c1)I)O ACT00797 [1,1,0,0,0,0|0,0,0]=2 202 B8R1.4 c1cc(cc(c1)O)N ACT04954 [1,1,0,0,0,0|0,0,0]=2 203 B8R1.4 c1cc(cc(c1)O)N ACT07279 [1,1,0,0,0,0|0,0,0]=2 204 B8R1.4 c1cc(nc(c1)Br)Br ACT04553 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.4 c1cc(nc(c1)Br)N ACT03472 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.4 c1cc(nc(c1)Cl)Cl ACT11047 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.4 c1cc(nc(c1)Cl)N ACT04480 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.4 c1cc(nc(c1)Cl)O ACT04499 [1,1,0,0,0,0|1,0,0]=3 209 B8R1.4 c1cc(nc(c1)F)N ACT01340 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.4 c1cc(nc(c1)O)N ACT01322 [1,1,0,0,0,0|1,0,0]=3 211 B8R1.4 c1cnc(cc1Br)Cl ACT01496 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.4 c1cnc(cc1Br)I ACT10965 [1,1,0,0,0,0|2,0,0]=4 213 B8R1.4 c1cnc(cc1Br)N ACT01309 [1,1,0,0,0,0|2,0,0]=4 214 B8R1.4 c1cnc(cc1Cl)Br ACT01352 [1,1,0,0,0,0|2,0,0]=4 215 B8R1.4 c1cnc(cc1Cl)N ACT01317 [1,1,0,0,0,0|2,0,0]=4 216 B8R1.4 c1cnc(cc1Cl)O ACT05243 [1,1,0,0,0,0|1,0,0]=3 217 B8R1.4 c1cnc(cc1I)F ACT07574 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.4 c1cnc(cc1N)Br ACT01351 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.4 c1cnc(cc1O)Cl ACT04603 [1,1,0,0,0,0|1,0,0]=3 220 B8R1.4 c1cnc(cc1O)N ACT01285 [1,1,0,0,0,0|1,0,0]=3 221 B8R1.5 Cc1c(cccn1)N ACT01459 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.5 Cc1c(cccn1)N ACT01459 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.5 Cc1c(cccn1)O ACT01461 [1,1,0,0,0,0|1,0,0]=3 224 B8R1.5 Cc1ccc[nH]c1=O ACT01511 [1,1,0,0,0,0|1,0,1]=4 225 B8R1.5 Cc1ccccc1I ACT05468 [1,1,0,0,0,0|1,0,0]=3 226 B8R1.5 Cc1cccnc1Br ACT06975 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.5 Cc1cccnc1N ACT04697 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.5 Cc1ccncc1N ACT01358 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.5 Cc1cnccc1N ACT01603 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.5 c1cc(c(=O)[nH]c1)Br ACT07182 [1,1,0,0,0,0|1,0,1]=4 231 B8R1.5 c1cc(c(nc1)Br)N ACT03644 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.5 c1cc(c(nc1)Cl)Br ACT01362 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.5 c1cc(c(nc1)Cl)F ACT01345 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.5 c1cc(c(nc1)Cl)I ACT01479 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.5 c1cc(c(nc1)F)I ACT01260 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.5 c1cc(c(nc1)F)O ACT07366 [1,1,0,0,0,0|1,0,0]=3 237 B8R1.5 c1cc(c(nc1)I)F ACT04430 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.5 c1cc(c(nc1)I)O ACT11077 [1,1,0,0,0,0|1,0,0]=3 239 B8R1.5 c1cc(c(nc1)N)I ACT11375 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.5 c1cc(c(nc1)N)N ACT01388 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.5 c1cc(c(nc1)O)Cl ACT04473 [1,1,0,0,0,0|1,0,0]=3 242 B8R1.5 c1cc(c(nc1)O)N ACT01552 [1,1,0,0,0,0|1,0,0]=3 243 B8R1.5 c1cc[n+](c(c1)Br)[O-] ACT10359 [1,1,0,0,0,0|1,0,1]=4 244 B8R1.5 c1cc[n+](c(c1)O)[O-] ACT10992 [1,1,0,0,0,0|1,0,0]=3 245 B8R1.5 c1ccc(c(c1)Br)Br ACT07584 [1,1,0,0,0,0|1,0,0]=3 246 B8R1.5 c1ccc(c(c1)Br)I ACT05474 [1,1,0,0,0,0|1,0,0]=3 247 B8R1.5 c1ccc(c(c1)Cl)Br ACT03421 [1,1,0,0,0,0|1,0,0]=3 248 B8R1.5 c1ccc(c(c1)N)Br ACT07744 [1,1,0,0,0,0|1,0,0]=3 249 B8R1.5 c1ccc(c(c1)N)I ACT07811 [1,1,0,0,0,0|1,0,0]=3 250 B8R1.5 c1ccc(c(c1)O)I ACT05465 [1,1,0,0,0,0|0,0,0]=2 251 B8R1.5 c1ccc(c(c1)S)S ACT11907 [1,1,0,0,0,0|0,1,0]=3 252 B8R1.5 c1cncc(c1Cl)Cl ACT11396 [1,1,0,0,0,0|2,0,0]=4 253 B8R1.5 c1cncc(c1I)Cl ACT11376 [1,1,0,0,0,0|2,0,0]=4 254 B8R1.5 c1cncc(c1I)F ACT11381 [1,1,0,0,0,0|2,0,0]=4 255 B8R1.5 c1cncc(c1N)Br ACT01578 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.1 c1cc(ccc1CCN)Br ACT00295 [0,2,0,0,0,0|2,0,0]=4 257 B10R1.3 C#Cc1ccc(cc1)C#C ACT10634 [0,2,0,0,0,0|2,0,0]=4 258 B10R1.3 C1=CC(=NO)C=CC1=NO ACT05403 [0,2,0,0,0,0|0,0,0]=2 259 B10R1.3 CCc1ccc(cc1)NN ACT08278 [0,2,0,0,0,0|2,0,0]=4 260 B10R1.3 COc1ccc(cn1)C=O ACT05370 [0,2,0,0,0,0|1,0,1]=4 261 B10R1.3 COc1ccc(nc1)C=O ACT09131 [0,2,0,0,0,0|1,0,1]=4 262 B10R1.3 c1cc(ccc1C#N)NN ACT07743 [0,2,0,0,0,0|2,0,0]=4 263 B10R1.3 c1cc(ccc1CBr)C#N ACT01163 [0,2,0,0,0,0|2,0,0]=4 264 B10R1.3 c1cc(ccc1CBr)CBr ACT10058 [0,2,0,0,0,0|2,0,0]=4 265 B10R1.3 c1cc(ccc1CN)CO ACT09568 [0,2,0,0,0,0|1,0,0]=3 266 B10R1.13 B(c1ccc(cc1)Br)(O)O ACT04758 [0,2,0,0,0,0|1,0,0]=3 267 B10R1.13 B(c1ccc(cc1)C)(O)O ACT05291 [0,2,0,0,0,0|1,0,0]=3 268 B10R1.13 B(c1ccc(cc1)F)(O)O ACT10993 [0,2,0,0,0,0|1,0,0]=3 269 B10R1.13 B(c1ccc(cc1)N)(O)O ACT11284 [0,2,0,0,0,0|1,0,0]=3 270 B10R1.13 B(c1ccc(cc1)S)(O)O ACT05122 [0,2,0,0,0,0|0,1,0]=3 271 B10R1.13 B(c1ccc(nc1)Br)(O)O ACT05284 [0,2,0,0,0,0|2,0,0]=4 272 B10R1.13 B(c1ccc(nc1)Cl)(O)O ACT05310 [0,2,0,0,0,0|2,0,0]=4 273 B10R1.13 B(c1ccc(nc1)F)(O)O ACT01457 [0,2,0,0,0,0|2,0,0]=4 274 B10R1.13 CC(=O)c1ccc(cc1)I ACT08155 [0,2,0,0,0,0|1,0,1]=4 275 B10R1.13 CC(=O)c1ccc(cc1)O ACT01160 [0,2,0,0,0,0|0,0,1]=3 276 B10R1.13 CN(C)c1ccc(cc1)Br ACT05793 [0,2,0,0,0,0|2,0,0]=4 277 B10R1.13 CN(C)c1ccc(cc1)N ACT05021 [0,2,0,0,0,0|2,0,0]=4 278 B10R1.13 Cc1ccc(cc1)[C@@H](C)N ACT10821 [0,2,0,0,0,0|2,0,0]=4 279 B10R1.13 Cc1ccc(cc1)[C@H](C)N ACT10694 [0,2,0,0,0,0|2,0,0]=4 280 B10R1.13 Cc1ccc(cc1)[S@@](=O)N ACT09400 [0,2,0,0,0,0|1,0,1]=4 281 B10R1.13 Cc1ccc(cn1)C(=O)O ACT02455 [0,2,0,0,0,0|2,0,0]=4 282 B10R1.13 c1c(ncc(n1)O)C(=O)O ACT01744 [0,2,0,0,0,0|2,0,0]=4 283 B10R1.13 c1cc(ccc1C(=N)N)N ACT05196 [0,2,0,0,0,0|2,0,0]=4 284 B10R1.13 c1cc(ccc1C(=O)Cl)I ACT03270 [0,2,0,0,0,0|1,0,1]=4 285 B10R1.13 c1cc(ccc1C(=O)O)I ACT00967 [0,2,0,0,0,0|1,0,0]=3 286 B10R1.13 c1cc(ccc1C(=S)N)O ACT01253 [0,2,0,0,0,0|0,1,0]=3 287 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br ACT01181 [0,2,0,0,0,0|1,0,1]=4 288 B10R1.13 c1cc(ncc1Br)C(=O)O ACT11224 [0,2,0,0,0,0|2,0,0]=4 289 B10R1.13 c1cc(ncc1C(=O)O)Cl ACT02407 [0,2,0,0,0,0|2,0,0]=4 290 B10R1.13 c1cc(ncc1C(=O)O)F ACT02405 [0,2,0,0,0,0|2,0,0]=4 291 B10R1.13 c1cc(ncc1C(=O)O)N ACT02453 [0,2,0,0,0,0|2,0,0]=4 292 B10R1.13 c1cc(ncc1C(=O)O)O ACT04597 [0,2,0,0,0,0|1,0,0]=3 293 B10R1.13 c1cc(ncc1Cl)C(=O)O ACT11221 [0,2,0,0,0,0|2,0,0]=4 294 B10R1.13 c1cc(ncc1F)C(=O)O ACT11242 [0,2,0,0,0,0|2,0,0]=4 295 B10R1.25 COc1c(cc(cn1)Br)Cl ACT08945 [0,2,0,0,0,0|2,0,0]=4 296 B10R1.25 COc1ccc(cc1F)N ACT00950 [0,2,0,0,0,0|1,0,0]=3 297 B10R1.25 Cc1cc(ccc1C#N)Cl ACT11840 [0,2,0,0,0,0|2,0,0]=4 298 B10R1.25 Cc1cc(ccc1C=O)Cl ACT09676 [0,2,0,0,0,0|1,0,1]=4 299 B10R1.25 Cc1cc(ccc1C=O)F ACT11866 [0,2,0,0,0,0|1,0,1]=4 300 B10R1.25 Cc1ccc(c(c1)C)NN ACT08448 [0,2,0,0,0,0|2,0,0]=4 301 B10R1.25 Cc1ccc(c(c1)Cl)NN ACT08995 [0,2,0,0,0,0|2,0,0]=4 302 B10R1.25 c1cc(c(cc1Br)Cl)C#N ACT03429 [0,2,0,0,0,0|2,0,0]=4 303 B10R1.25 c1cc(c(cc1Br)F)C#N ACT11802 [0,2,0,0,0,0|2,0,0]=4 304 B10R1.25 c1cc(c(cc1Br)N)C#N ACT11859 [0,2,0,0,0,0|2,0,0]=4 305 B10R1.25 c1cc(c(cc1Br)O)C=O ACT00222 [0,2,0,0,0,0|1,0,1]=4 306 B10R1.25 c1cc(c(cc1Cl)Cl)NN ACT08308 [0,2,0,0,0,0|2,0,0]=4 307 B10R1.25 c1cc(c(cc1Cl)F)C=O ACT00558 [0,2,0,0,0,0|1,0,1]=4 308 B10R1.25 c1cc(c(cc1Cl)O)C=O ACT03495 [0,2,0,0,0,0|1,0,1]=4 309 B10R1.25 c1cc(c(cc1F)Cl)NN ACT09483 [0,2,0,0,0,0|2,0,0]=4 310 B10R1.25 c1cc(c(cc1F)F)NN ACT00457 [0,2,0,0,0,0|2,0,0]=4 311 B10R1.25 c1cc(c(cc1F)N)C#N ACT11846 [0,2,0,0,0,0|2,0,0]=4 312 B10R1.25 c1cc(c(cc1F)O)C=O ACT03507 [0,2,0,0,0,0|1,0,1]=4 313 B10R1.25 c1cc(c(cc1I)F)C#N ACT00553 [0,2,0,0,0,0|2,0,0]=4 314 B10R1.25 c1cc(c(cc1O)Cl)C=O ACT03441 [0,2,0,0,0,0|0,0,1]=3 315 B10R1.176 COc1ccc(c(c1)N)Cl ACT00073 [0,2,0,0,0,0|1,0,0]=3 316 B10R1.176 COc1ccc(c(c1)N)Cl ACT07778 [0,2,0,0,0,0|1,0,0]=3 317 B10R1.176 Cc1cc(ccc1Br)C#N ACT11833 [0,2,0,0,0,0|2,0,0]=4 318 B10R1.176 Cc1cc(ccc1Br)OC ACT08088 [0,2,0,0,0,0|1,0,0]=3 319 B10R1.176 Cc1cc(ccc1F)C#N ACT00977 [0,2,0,0,0,0|2,0,0]=4 320 B10R1.176 Cc1cc(ccc1F)CN ACT00364 [0,2,0,0,0,0|2,0,0]=4 321 B10R1.176 Cc1ccc(cc1Br)C#N ACT11843 [0,2,0,0,0,0|2,0,0]=4 322 B10R1.176 Cc1ccc(cc1C)NN ACT02975 [0,2,0,0,0,0|2,0,0]=4 323 B10R1.176 c1cc(c(cc1C#N)Br)F ACT11856 [0,2,0,0,0,0|2,0,0]=4 324 B10R1.176 c1cc(c(cc1C#N)Br)O ACT11851 [0,2,0,0,0,0|1,0,0]=3 325 B10R1.176 c1cc(c(cc1C#N)F)O ACT11858 [0,2,0,0,0,0|1,0,0]=3 326 B10R1.176 c1cc(c(cc1C#N)I)N ACT11837 [0,2,0,0,0,0|2,0,0]=4 327 B10R1.176 c1cc(c(cc1CCl)Cl)Cl ACT00762 [0,2,0,0,0,0|2,0,0]=4 328 B10R1.176 c1cc(c(cc1NN)Cl)Cl ACT07443 [0,2,0,0,0,0|2,0,0]=4 329 B10R1.176 c1cc(c(cc1NN)Cl)F ACT07371 [0,2,0,0,0,0|2,0,0]=4 330 B10R1.176 c1cc(c(cc1NN)F)F ACT00750 [0,2,0,0,0,0|2,0,0]=4 331 B10R1.22 Cc1cc(c(c(c1)C)O)C ACT04701 [0,2,0,0,0,0|1,0,0]=3 332 B10R1.22 Cc1cc(cc(c1N)C)Br ACT09535 [0,2,0,0,0,0|2,0,0]=4 333 B10R1.22 Cc1cc(cc(c1O)Cl)Br ACT00271 [0,2,0,0,0,0|1,0,0]=3 334 B10R1.22 c1c(cc(c(c1Cl)F)Cl)Br ACT03074 [0,2,0,0,0,0|2,0,0]=4 335 B10R1.22 c1c(cc(c(c1O)F)F)Br ACT11824 [0,2,0,0,0,0|2,0,0]=4 336 B10R1.30 COc1cc(ccc1Br)O ACT11735 [0,2,0,0,0,0|1,0,0]=3 337 B10R1.30 COc1cc(ccc1N)Br ACT00157 [0,2,0,0,0,0|2,0,0]=4 338 B10R1.30 Cc1ccc(c(c1)NN)C ACT08374 [0,2,0,0,0,0|2,0,0]=4 339 B10R1.30 Cc1ccc(cc1C#N)Br ACT11861 [0,2,0,0,0,0|2,0,0]=4 340 B10R1.30 Cc1ccc(cc1NN)F ACT12555 [0,2,0,0,0,0|2,0,0]=4 341 B10R1.30 c1cc(c(cc1Br)C=O)O ACT04602 [0,2,0,0,0,0|1,0,0]=3 342 B10R1.30 c1cc(c(cc1Cl)C=O)Br ACT12015 [0,2,0,0,0,0|2,0,0]=4 343 B10R1.30 c1cc(c(cc1Cl)C=O)O ACT03087 [0,2,0,0,0,0|1,0,0]=3 344 B10R1.30 c1cc(c(cc1Cl)NN)Cl ACT11122 [0,2,0,0,0,0|2,0,0]=4 345 B10R1.30 c1cc(c(cc1F)C=O)O ACT03079 [0,2,0,0,0,0|1,0,0]=3 346 B10R1.30 c1cc(c(cc1F)CO)Br ACT09673 [0,2,0,0,0,0|2,0,0]=4 347 B10R1.30 c1cc(c(cc1F)NN)F ACT07367 [0,2,0,0,0,0|2,0,0]=4 348 B10R1.118 c1c(c(cc(c1Br)F)Cl)O ACT08888 [0,2,0,0,0,0|1,0,0]=3 349 B10R1.118 c1c(c(cc(c1Br)F)F)N ACT09739 [0,2,0,0,0,0|2,0,0]=4 350 B10R1.118 c1c(c(cc(c1Br)I)F)O ACT04590 [0,2,0,0,0,0|1,0,0]=3 351 B10R1.118 c1c(c(cc(c1Cl)Br)Cl)O ACT06780 [0,2,0,0,0,0|1,0,0]=3 352 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)Cl ACT09027 [0,2,0,0,0,0|2,0,0]=4 353 B10R1.119 c1cc(c(c(c1O)F)F)Br ACT11825 [0,2,0,0,0,0|1,0,0]=3 354 B6R1.2 Cc1cc[nH]c1 ACT05027 [1,0,0,0,1,0|2,0,0]=4 355 B6R1.2 c1cc(oc1)Br ACT11323 [1,0,0,0,1,0|2,0,0]=4 356 B6R1.2 c1cc(sc1)S ACT06594 [1,0,0,0,1,0|1,1,0]=4 357 B6R1.2 c1cscc1Br ACT10486 [1,0,0,0,1,0|2,0,0]=4