0 B7R1.3 Cc1cnccn1 ACT06608 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.3 Cc1cncnc1 ACT01372 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.3 c1c(cncn1)Br ACT01658 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.3 c1c(cncn1)Cl ACT01272 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.3 c1cc(=O)[nH]nc1 ACT01784 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.3 c1cc(cnc1)Br ACT01584 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 c1cc(cnc1)Cl ACT01563 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.3 c1cc(cnc1)I ACT07335 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 c1cc(cnc1)N ACT09740 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.3 c1cc(cnc1)O ACT07256 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.3 c1ccc(cc1)Br ACT03428 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.3 c1ccc(cc1)I ACT05473 [0,0,0,0,0,0|2,0,0]=2 12 B7R1.3 c1ccc(cc1)P ACT04087 [0,0,0,0,0,0|1,1,0]=2 13 B7R1.3 c1ccnc(c1)Br ACT05539 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.3 c1ccnc(c1)F ACT01456 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.3 c1ccnc(c1)I ACT09780 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.3 c1ccnc(c1)N ACT09785 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.3 c1ccnc(c1)O ACT08592 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.3 c1ccnc(c1)S ACT05649 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.3 c1cnc(cn1)Br ACT01757 [0,0,0,0,0,0|4,0,0]=4 20 B7R1.3 c1cnc(cn1)Cl ACT11007 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.3 c1cnc(cn1)N ACT01748 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.3 c1cnc(cn1)S ACT06620 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.3 c1cnc(nc1)Br ACT04714 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.3 c1cnc(nc1)I ACT06633 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.3 c1cnccc1Br ACT03436 [0,0,0,0,0,0|1,0,0]=1 26 B7R1.3 c1cnccc1Cl ACT01622 [0,0,0,0,0,0|1,0,0]=1 27 B7R1.3 c1cnccc1N ACT05167 [0,0,0,0,0,0|0,0,0]=0 28 B7R1.3 c1cnccc1O ACT05166 [0,0,0,0,0,0|1,0,0]=1 29 B7R1.3 c1cnccc1O ACT09926 [0,0,0,0,0,0|1,0,0]=1 30 B7R1.3 c1cnccc1S ACT05165 [0,0,0,0,0,0|1,0,0]=1 31 B6R1.1 c1ccncc1 ACT11913 [1,0,0,0,0,0|0,0,0]=1 32 B6R1.1 c1cnccn1 ACT06596 [1,0,0,0,0,0|1,0,0]=2 33 B8R1.2 C#Cc1ccccc1 ACT08960 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.2 C#Cc1ccccn1 ACT09195 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.2 C#Cc1cccnc1 ACT01363 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.2 C#Cc1ccncc1 ACT01287 [0,1,0,0,0,0|1,0,0]=2 37 B8R1.2 COc1ccccn1 ACT06584 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.2 COc1ccncc1 ACT01615 [0,1,0,0,0,0|1,0,0]=2 39 B8R1.2 c1cc(cnc1)C#N ACT05843 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.2 c1cc(cnc1)C=O ACT04700 [0,1,0,0,0,0|3,0,0]=4 41 B8R1.2 c1ccc(cc1)CS ACT06261 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.2 c1ccnc(c1)C#N ACT05842 [0,1,0,0,0,0|2,0,1]=4 43 B8R1.2 c1ccnc(c1)C=O ACT07081 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.2 c1cnc(cn1)CN ACT11863 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.2 c1cnc(cn1)NN ACT08309 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.2 c1cnccc1C#N ACT01368 [0,1,0,0,0,0|0,0,1]=2 47 B8R1.2 c1cnccc1C=O ACT05935 [0,1,0,0,0,0|1,0,0]=2 48 B8R1.2 c1cnccc1CO ACT05965 [0,1,0,0,0,0|1,0,0]=2 49 B8R1.3 Cc1ccc(cc1)Cl ACT03438 [0,1,0,0,0,0|2,0,0]=3 50 B8R1.3 Cc1ccc(cc1)I ACT13438 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.3 Cc1ccc(cn1)N ACT04814 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.3 Cc1ccc(cn1)N ACT04814 [0,1,0,0,0,0|2,0,0]=3 53 B8R1.3 Cc1ccc(cn1)O ACT05416 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.3 Cc1ccc(nc1)O ACT03720 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.3 Cc1cnc(cn1)N ACT09845 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.3 c1c(cnc(n1)N)Br ACT01308 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.3 c1c(ncc(n1)Br)N ACT01747 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.3 c1cc(ccc1Br)Br ACT03271 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.3 c1cc(ccc1Br)I ACT05996 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.3 c1cc(ccc1Cl)Br ACT03424 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.3 c1cc(ccc1F)Br ACT03427 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.3 c1cc(ccc1F)I ACT00292 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.3 c1cc(ccc1N)I ACT00167 [0,1,0,0,0,0|1,0,0]=2 64 B8R1.3 c1cc(ccc1O)I ACT05464 [0,1,0,0,0,0|2,0,0]=3 65 B8R1.3 c1cc(ncc1Br)Br ACT01379 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.3 c1cc(ncc1Br)Cl ACT07051 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.3 c1cc(ncc1Br)F ACT01646 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.3 c1cc(ncc1Br)I ACT01445 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.3 c1cc(ncc1Br)N ACT01339 [0,1,0,0,0,0|2,0,0]=3 70 B8R1.3 c1cc(ncc1Br)O ACT01650 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.3 c1cc(ncc1Cl)N ACT01437 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.3 c1cc(ncc1F)Cl ACT01499 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.3 c1cc(ncc1I)Cl ACT04468 [0,1,0,0,0,0|3,0,0]=4 74 B8R1.3 c1cc(ncc1I)N ACT01433 [0,1,0,0,0,0|2,0,0]=3 75 B8R1.3 c1cc(ncc1N)Br ACT05519 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.3 c1cc(ncc1N)Cl ACT05515 [0,1,0,0,0,0|2,0,0]=3 77 B8R1.3 c1cc(ncc1N)O ACT04951 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.3 c1cc(ncc1O)Br ACT05329 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.3 c1cc(ncc1O)Cl ACT01291 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.3 c1cc(ncc1O)F ACT01454 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.3 c1cc(ncc1O)N ACT01298 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.4 Cc1cc(ccn1)N ACT01463 [0,1,0,0,0,0|0,0,0]=1 83 B8R1.4 Cc1cc(cnc1)Br ACT06735 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.4 Cc1cc(cnc1)N ACT06734 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.4 Cc1cccc(c1)I ACT05470 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.4 Cc1cccc(n1)Br ACT01537 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.4 Cc1cccc(n1)Cl ACT01505 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.4 Cc1cccc(n1)N ACT01440 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.4 Cc1cccc(n1)O ACT06907 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.4 Cc1ccnc(c1)Br ACT04704 [0,1,0,0,0,0|1,0,0]=2 91 B8R1.4 Cc1ccnc(c1)Cl ACT05469 [0,1,0,0,0,0|1,0,0]=2 92 B8R1.4 Cc1ccnc(c1)N ACT11127 [0,1,0,0,0,0|1,0,0]=2 93 B8R1.4 Cc1ccnc(c1)O ACT08283 [0,1,0,0,0,0|1,0,0]=2 94 B8R1.4 Cc1ccnc(n1)O ACT08959 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.4 Cc1cncc(n1)N ACT11343 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.4 c1[nH]c(=O)nc(n1)N ACT11734 [0,1,0,0,0,0|2,0,1]=4 97 B8R1.4 c1c(cncc1Br)Br ACT01356 [0,1,0,0,0,0|3,0,0]=4 98 B8R1.4 c1c(cncc1Br)Cl ACT10151 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.4 c1c(cncc1Br)F ACT01290 [0,1,0,0,0,0|3,0,0]=4 100 B8R1.4 c1c(cncc1Br)F ACT01290 [0,1,0,0,0,0|3,0,0]=4 101 B8R1.4 c1c(cncc1Br)N ACT01375 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.4 c1c(cncc1Br)N ACT01375 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.4 c1c(cncc1Br)O ACT10407 [0,1,0,0,0,0|3,0,0]=4 104 B8R1.4 c1c(cncc1Br)O ACT10407 [0,1,0,0,0,0|3,0,0]=4 105 B8R1.4 c1c(cncc1Cl)N ACT11036 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.4 c1c(cncc1Cl)O ACT08732 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.4 c1c(cncc1F)O ACT05333 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.4 c1c(ncnc1Cl)Cl ACT10415 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.4 c1cc(c[n+](c1)[O-])F ACT04429 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.4 c1cc(cc(c1)Br)Br ACT03347 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.4 c1cc(cc(c1)Br)Cl ACT03422 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.4 c1cc(cc(c1)Br)N ACT07924 [0,1,0,0,0,0|1,0,0]=2 113 B8R1.4 c1cc(cc(c1)F)N ACT05075 [0,1,0,0,0,0|1,0,0]=2 114 B8R1.4 c1cc(cc(c1)I)Br ACT05730 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.4 c1cc(cc(c1)I)N ACT11585 [0,1,0,0,0,0|1,0,0]=2 116 B8R1.4 c1cc(cc(c1)I)O ACT00797 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.4 c1cc(cc(c1)O)N ACT04954 [0,1,0,0,0,0|1,0,0]=2 118 B8R1.4 c1cc(cc(c1)O)N ACT07279 [0,1,0,0,0,0|1,0,0]=2 119 B8R1.4 c1cc(nc(c1)Br)Br ACT04553 [0,1,0,0,0,0|3,0,0]=4 120 B8R1.4 c1cc(nc(c1)Br)N ACT03472 [0,1,0,0,0,0|2,0,0]=3 121 B8R1.4 c1cc(nc(c1)Cl)Cl ACT11047 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.4 c1cc(nc(c1)Cl)N ACT04480 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.4 c1cc(nc(c1)Cl)O ACT04499 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.4 c1cc(nc(c1)F)N ACT01340 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.4 c1cc(nc(c1)O)N ACT01322 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.4 c1cnc(cc1Br)Cl ACT01496 [0,1,0,0,0,0|1,0,0]=2 127 B8R1.4 c1cnc(cc1Br)I ACT10965 [0,1,0,0,0,0|1,0,0]=2 128 B8R1.4 c1cnc(cc1Br)N ACT01309 [0,1,0,0,0,0|1,0,0]=2 129 B8R1.4 c1cnc(cc1Cl)Br ACT01352 [0,1,0,0,0,0|1,0,0]=2 130 B8R1.4 c1cnc(cc1Cl)N ACT01317 [0,1,0,0,0,0|1,0,0]=2 131 B8R1.4 c1cnc(cc1Cl)O ACT05243 [0,1,0,0,0,0|1,0,0]=2 132 B8R1.4 c1cnc(cc1I)F ACT07574 [0,1,0,0,0,0|1,0,0]=2 133 B8R1.4 c1cnc(cc1N)Br ACT01351 [0,1,0,0,0,0|0,0,0]=1 134 B8R1.4 c1cnc(cc1O)Cl ACT04603 [0,1,0,0,0,0|1,0,0]=2 135 B8R1.4 c1cnc(cc1O)N ACT01285 [0,1,0,0,0,0|1,0,0]=2 136 B8R1.4 c1cnc(nc1Br)N ACT04459 [0,1,0,0,0,0|2,0,0]=3 137 B8R1.4 c1cnc(nc1Cl)N ACT01381 [0,1,0,0,0,0|2,0,0]=3 138 B8R1.5 Cc1c(cccn1)N ACT01459 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.5 Cc1c(cccn1)N ACT01459 [0,1,0,0,0,0|2,0,0]=3 140 B8R1.5 Cc1c(cccn1)O ACT01461 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.5 Cc1ccc[nH]c1=O ACT01511 [0,1,0,0,0,0|3,0,0]=4 142 B8R1.5 Cc1ccccc1I ACT05468 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.5 Cc1cccnc1Br ACT06975 [0,1,0,0,0,0|3,0,0]=4 144 B8R1.5 Cc1cccnc1N ACT04697 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.5 Cc1ccncc1N ACT01358 [0,1,0,0,0,0|1,0,0]=2 146 B8R1.5 Cc1cnccc1N ACT01603 [0,1,0,0,0,0|0,0,0]=1 147 B8R1.5 c1cc(c(=O)[nH]c1)Br ACT07182 [0,1,0,0,0,0|3,0,0]=4 148 B8R1.5 c1cc(c(nc1)Br)N ACT03644 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.5 c1cc(c(nc1)Cl)Br ACT01362 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.5 c1cc(c(nc1)Cl)F ACT01345 [0,1,0,0,0,0|3,0,0]=4 151 B8R1.5 c1cc(c(nc1)Cl)I ACT01479 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.5 c1cc(c(nc1)F)I ACT01260 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.5 c1cc(c(nc1)F)O ACT07366 [0,1,0,0,0,0|3,0,0]=4 154 B8R1.5 c1cc(c(nc1)I)F ACT04430 [0,1,0,0,0,0|3,0,0]=4 155 B8R1.5 c1cc(c(nc1)I)O ACT11077 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.5 c1cc(c(nc1)N)I ACT11375 [0,1,0,0,0,0|2,0,0]=3 157 B8R1.5 c1cc(c(nc1)N)N ACT01388 [0,1,0,0,0,0|2,0,0]=3 158 B8R1.5 c1cc(c(nc1)O)Cl ACT04473 [0,1,0,0,0,0|3,0,0]=4 159 B8R1.5 c1cc(c(nc1)O)N ACT01552 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.5 c1cc[n+](c(c1)Br)[O-] ACT10359 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.5 c1cc[n+](c(c1)O)[O-] ACT10992 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.5 c1ccc(c(c1)Br)Br ACT07584 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.5 c1ccc(c(c1)Br)I ACT05474 [0,1,0,0,0,0|2,0,0]=3 164 B8R1.5 c1ccc(c(c1)Cl)Br ACT03421 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.5 c1ccc(c(c1)N)Br ACT07744 [0,1,0,0,0,0|1,0,0]=2 166 B8R1.5 c1ccc(c(c1)N)I ACT07811 [0,1,0,0,0,0|1,0,0]=2 167 B8R1.5 c1ccc(c(c1)O)I ACT05465 [0,1,0,0,0,0|2,0,0]=3 168 B8R1.5 c1ccc(c(c1)S)S ACT11907 [0,1,0,0,0,0|2,0,0]=3 169 B8R1.5 c1cncc(c1Cl)Cl ACT11396 [0,1,0,0,0,0|1,0,0]=2 170 B8R1.5 c1cncc(c1I)Cl ACT11376 [0,1,0,0,0,0|1,0,0]=2 171 B8R1.5 c1cncc(c1I)F ACT11381 [0,1,0,0,0,0|1,0,0]=2 172 B8R1.5 c1cncc(c1N)Br ACT01578 [0,1,0,0,0,0|0,0,0]=1 173 B6R1.2 C1C=CCC1N ACT10576 [0,0,0,0,1,0|0,0,3]=4 174 B6R1.2 Cc1[nH]cnn1 ACT04542 [0,0,0,0,1,0|3,0,0]=4 175 B6R1.2 Cc1c[nH]nc1 ACT08853 [0,0,0,0,1,0|2,0,0]=3 176 B6R1.2 Cc1cc[nH]c1 ACT05027 [0,0,0,0,1,0|1,0,1]=3 177 B6R1.2 Cc1cc[nH]n1 ACT05681 [0,0,0,0,1,0|2,0,1]=4 178 B6R1.2 Cc1cc[nH]n1 ACT05681 [0,0,0,0,1,0|2,0,1]=4 179 B6R1.2 Cn1cncn1 ACT11875 [0,0,0,0,1,0|3,0,0]=4 180 B6R1.2 c1c(cn[nH]1)Cl ACT05129 [0,0,0,0,1,0|2,0,0]=3 181 B6R1.2 c1c(nc[nH]1)Br ACT02022 [0,0,0,0,1,0|2,0,1]=4 182 B6R1.2 c1cc(oc1)Br ACT11323 [0,0,0,0,1,0|2,0,0]=3 183 B6R1.2 c1cc(sc1)S ACT06594 [0,0,0,0,1,0|2,0,0]=3 184 B6R1.2 c1cnc([nH]1)N ACT02001 [0,0,0,0,1,0|2,0,0]=3 185 B6R1.2 c1cscc1Br ACT10486 [0,0,0,0,1,0|2,0,0]=3 186 B5R0.2 C=CCCC=C ACT05312 [1,0,1,0,0,0|1,0,1]=4 187 B7R1.1 C#Cc1cccs1 ACT09722 [0,1,0,0,1,0|2,0,0]=4 188 B7R1.1 C#Cc1ccsc1 ACT10036 [0,1,0,0,1,0|2,0,0]=4 189 B7R1.1 CCc1ccco1 ACT06582 [0,1,0,0,1,0|2,0,0]=4 190 B7R1.1 CCc1ccsc1 ACT11601 [0,1,0,0,1,0|2,0,0]=4 191 B7R1.1 CCn1ccnc1 ACT08635 [0,1,0,0,1,0|2,0,0]=4 192 B7R1.1 COc1cccs1 ACT11607 [0,1,0,0,1,0|2,0,0]=4 193 B7R1.1 COc1ccsc1 ACT11613 [0,1,0,0,1,0|2,0,0]=4 194 B7R1.1 c1cc([nH]c1)C=O ACT05084 [0,1,0,0,1,0|2,0,0]=4 195 B7R1.1 c1cc(oc1)CO ACT06575 [0,1,0,0,1,0|2,0,0]=4 196 B7R1.1 c1cc(oc1)CS ACT06272 [0,1,0,0,1,0|2,0,0]=4 197 B7R1.1 c1cscc1C=O ACT02286 [0,1,0,0,1,0|2,0,0]=4 198 B7R1.1 c1cscc1CBr ACT02290 [0,1,0,0,1,0|2,0,0]=4 199 B7R1.1 c1cscc1CO ACT10114 [0,1,0,0,1,0|2,0,0]=4 200 B7R1.2 C1=CC(=O)NC1=O ACT09826 [0,1,0,0,1,0|2,0,0]=4 201 B7R1.2 Cc1cc(no1)N ACT07207 [0,1,0,0,1,0|2,0,0]=4 202 B7R1.2 Cc1cc(on1)C ACT07874 [0,1,0,0,1,0|2,0,0]=4 203 B7R1.2 Cc1ccc(o1)C ACT06577 [0,1,0,0,1,0|2,0,0]=4 204 B7R1.2 Cc1cnc(s1)Br ACT11264 [0,1,0,0,1,0|2,0,0]=4 205 B7R1.2 Cc1cnc(s1)N ACT05626 [0,1,0,0,1,0|2,0,0]=4 206 B7R1.2 c1c(sc(n1)Br)Br ACT02326 [0,1,0,0,1,0|2,0,0]=4 207 B7R1.2 c1c(sc(n1)N)Br ACT02313 [0,1,0,0,1,0|2,0,0]=4 208 B7R1.2 c1c(sc(n1)N)Br ACT04936 [0,1,0,0,1,0|2,0,0]=4 209 B7R1.4 Cc1c(cco1)S ACT06377 [0,1,0,0,1,0|2,0,0]=4 210 B7R1.4 Cc1ccnn1C ACT04243 [0,1,0,0,1,0|2,0,0]=4 211 B7R1.4 Cc1ccsc1Br ACT02266 [0,1,0,0,1,0|2,0,0]=4 212 B7R1.4 Cc1cscc1Br ACT08579 [0,1,0,0,1,0|2,0,0]=4 213 B7R1.4 c1csc(c1Br)Br ACT11602 [0,1,0,0,1,0|2,0,0]=4 214 B9R1.1 C#Cc1ccc(cc1)Br ACT10256 [0,2,0,0,0,0|2,0,0]=4 215 B9R1.1 C#Cc1ccc(cc1)F ACT00296 [0,2,0,0,0,0|2,0,0]=4 216 B9R1.1 C1=CC(=O)C=CC1=NO ACT05401 [0,2,0,0,0,0|1,0,1]=4 217 B9R1.1 C=Cc1ccc(cc1)Cl ACT07088 [0,2,0,0,0,0|2,0,0]=4 218 B9R1.1 COc1ccc(cc1)Br ACT04984 [0,2,0,0,0,0|2,0,0]=4 219 B9R1.1 Cc1ccc(cc1)C#C ACT10257 [0,2,0,0,0,0|2,0,0]=4 220 B9R1.1 Cc1ccc(cc1)NN ACT01152 [0,2,0,0,0,0|1,0,0]=3 221 B9R1.1 c1cc(ccc1C#N)Br ACT01176 [0,2,0,0,0,0|1,0,1]=4 222 B9R1.1 c1cc(ccc1C#N)I ACT08158 [0,2,0,0,0,0|1,0,1]=4 223 B9R1.1 c1cc(ccc1C=O)O ACT01156 [0,2,0,0,0,0|2,0,0]=4 224 B9R1.1 c1cc(ccc1CO)N ACT00253 [0,2,0,0,0,0|1,0,0]=3 225 B9R1.1 c1cc(ccc1NN)Br ACT12528 [0,2,0,0,0,0|1,0,0]=3 226 B9R1.1 c1cc(ccc1NN)Cl ACT02825 [0,2,0,0,0,0|1,0,0]=3 227 B9R1.1 c1cc(ccc1NN)F ACT08904 [0,2,0,0,0,0|1,0,0]=3 228 B9R1.1 c1cc(ncc1Br)NN ACT04516 [0,2,0,0,0,0|2,0,0]=4 229 B9R1.2 C#Cc1cccc(c1)N ACT00085 [0,2,0,0,0,0|1,0,0]=3 230 B9R1.2 C=Cc1cccc(c1)Cl ACT07505 [0,2,0,0,0,0|2,0,0]=4 231 B9R1.2 COc1cc(ccn1)Br ACT01471 [0,2,0,0,0,0|1,0,0]=3 232 B9R1.2 COc1cccc(c1)Br ACT04958 [0,2,0,0,0,0|2,0,0]=4 233 B9R1.2 COc1cccc(c1)S ACT04985 [0,2,0,0,0,0|2,0,0]=4 234 B9R1.2 COc1cccc(n1)N ACT01441 [0,2,0,0,0,0|2,0,0]=4 235 B9R1.2 COc1ccnc(c1)N ACT04461 [0,2,0,0,0,0|1,0,0]=3 236 B9R1.2 Cc1cccc(c1)C#C ACT10255 [0,2,0,0,0,0|2,0,0]=4 237 B9R1.2 Cc1cccc(c1)NN ACT08527 [0,2,0,0,0,0|1,0,0]=3 238 B9R1.2 Cc1ccnc(c1)C#N ACT03484 [0,2,0,0,0,0|1,0,0]=3 239 B9R1.2 c1c(ncnc1Cl)CO ACT11876 [0,2,0,0,0,0|2,0,0]=4 240 B9R1.2 c1cc(c[n+](c1)[O-])CN ACT11995 [0,2,0,0,0,0|2,0,0]=4 241 B9R1.2 c1cc(cc(c1)Br)C#N ACT00928 [0,2,0,0,0,0|1,0,1]=4 242 B9R1.2 c1cc(cc(c1)Br)CBr ACT01196 [0,2,0,0,0,0|2,0,0]=4 243 B9R1.2 c1cc(cc(c1)Br)CO ACT13271 [0,2,0,0,0,0|2,0,0]=4 244 B9R1.2 c1cc(cc(c1)Br)NN ACT07730 [0,2,0,0,0,0|1,0,0]=3 245 B9R1.2 c1cc(cc(c1)Cl)NN ACT07638 [0,2,0,0,0,0|1,0,0]=3 246 B9R1.2 c1cc(cc(c1)F)NN ACT12550 [0,2,0,0,0,0|1,0,0]=3 247 B9R1.2 c1cc(cc(c1)I)C#N ACT01185 [0,2,0,0,0,0|1,0,1]=4 248 B9R1.2 c1cc(nc(c1)Br)NN ACT07724 [0,2,0,0,0,0|2,0,0]=4 249 B9R1.2 c1cc(nc(c1)Cl)NN ACT04501 [0,2,0,0,0,0|2,0,0]=4 250 B9R1.2 c1cnc(cc1C#N)Br ACT01529 [0,2,0,0,0,0|0,0,1]=3 251 B9R1.2 c1cnc(cc1C#N)Cl ACT01347 [0,2,0,0,0,0|0,0,1]=3 252 B9R1.2 c1cnc(cc1C#N)N ACT01292 [0,2,0,0,0,0|0,0,1]=3 253 B9R1.2 c1cnc(cc1CN)Br ACT11159 [0,2,0,0,0,0|0,0,0]=2 254 B9R1.2 c1cnc(cc1CO)Br ACT05523 [0,2,0,0,0,0|1,0,0]=3 255 B9R1.2 c1cnc(cc1Cl)C#N ACT04438 [0,2,0,0,0,0|1,0,0]=3 256 B9R1.2 c1cnc(cc1Cl)CO ACT04531 [0,2,0,0,0,0|1,0,0]=3 257 B9R1.2 c1cnc(cc1NN)Cl ACT11355 [0,2,0,0,0,0|0,0,0]=2 258 B9R1.6 B(c1ccccc1)(O)O ACT02221 [0,2,0,0,0,0|2,0,0]=4 259 B9R1.6 B(c1ccncc1)(O)O ACT04727 [0,2,0,0,0,0|1,0,0]=3 260 B9R1.6 CN(C)c1ccncc1 ACT01613 [0,2,0,0,0,0|0,0,0]=2 261 B9R1.6 C[C@@H](c1ccccn1)N ACT09467 [0,2,0,0,0,0|2,0,0]=4 262 B9R1.6 C[C@H](c1ccccc1)N ACT09657 [0,2,0,0,0,0|1,0,0]=3 263 B9R1.6 c1cc(cnc1)C(=N)N ACT04510 [0,2,0,0,0,0|2,0,0]=4 264 B9R1.6 c1cc(cnc1)C(=N)N ACT08665 [0,2,0,0,0,0|2,0,0]=4 265 B9R1.6 c1cc(cnc1)C(=S)N ACT05846 [0,2,0,0,0,0|2,0,0]=4 266 B9R1.6 c1ccnc(c1)C(=O)N ACT05877 [0,2,0,0,0,0|2,0,0]=4 267 B9R1.6 c1ccnc(c1)C(=S)N ACT05860 [0,2,0,0,0,0|2,0,0]=4 268 B9R1.6 c1cnccc1C(=N)N ACT08666 [0,2,0,0,0,0|0,0,0]=2 269 B9R1.6 c1cnccc1C(=O)O ACT11785 [0,2,0,0,0,0|1,0,0]=3 270 B9R1.6 c1cnccc1C(=S)N ACT05856 [0,2,0,0,0,0|0,0,0]=2 271 B9R1.8 C=CCc1ccccc1 ACT11557 [0,2,0,0,0,0|2,0,0]=4 272 B9R1.8 CNCc1ccccc1 ACT05529 [0,2,0,0,0,0|1,0,0]=3 273 B9R1.8 CSSc1ccccc1 ACT06218 [0,2,0,0,0,0|2,0,0]=4 274 B9R1.8 c1cc(cnc1)CCN ACT01355 [0,2,0,0,0,0|2,0,0]=4 275 B9R1.8 c1ccc(cc1)CCBr ACT03430 [0,2,0,0,0,0|2,0,0]=4 276 B9R1.8 c1ccc(cc1)CCCl ACT03431 [0,2,0,0,0,0|2,0,0]=4 277 B9R1.8 c1ccc(cc1)CCS ACT06273 [0,2,0,0,0,0|2,0,0]=4 278 B9R1.8 c1cnccc1CCN ACT01588 [0,2,0,0,0,0|0,0,0]=2 279 B9R1.8 c1cnccc1CCO ACT09815 [0,2,0,0,0,0|1,0,0]=3 280 B9R1.15 C#Cc1ccccc1F ACT10250 [0,2,0,0,0,0|2,0,0]=4 281 B9R1.15 COc1c(cccn1)N ACT07498 [0,2,0,0,0,0|2,0,0]=4 282 B9R1.15 COc1ccccc1Br ACT04851 [0,2,0,0,0,0|2,0,0]=4 283 B9R1.15 Cc1ccccc1C#C ACT10245 [0,2,0,0,0,0|2,0,0]=4 284 B9R1.15 Cc1ccccc1NN ACT08523 [0,2,0,0,0,0|1,0,0]=3 285 B9R1.15 c1c[nH]cc(c1=O)C#N ACT10532 [0,2,0,0,0,0|1,0,1]=4 286 B9R1.15 c1cc(c(nc1)Cl)CN ACT10471 [0,2,0,0,0,0|2,0,0]=4 287 B9R1.15 c1cc(c(nc1)N)C=O ACT01307 [0,2,0,0,0,0|2,0,0]=4 288 B9R1.15 c1cc(c(nc1)N)CO ACT04341 [0,2,0,0,0,0|2,0,0]=4 289 B9R1.15 c1ccc(c(c1)C#N)Cl ACT08962 [0,2,0,0,0,0|1,0,1]=4 290 B9R1.15 c1ccc(c(c1)C#N)I ACT12520 [0,2,0,0,0,0|1,0,1]=4 291 B9R1.15 c1ccc(c(c1)CBr)F ACT00245 [0,2,0,0,0,0|2,0,0]=4 292 B9R1.15 c1ccc(c(c1)CCl)I ACT05459 [0,2,0,0,0,0|2,0,0]=4 293 B9R1.15 c1ccc(c(c1)CN)N ACT09072 [0,2,0,0,0,0|1,0,0]=3 294 B9R1.15 c1ccc(c(c1)CO)I ACT05458 [0,2,0,0,0,0|2,0,0]=4 295 B9R1.15 c1ccc(c(c1)CO)N ACT09816 [0,2,0,0,0,0|1,0,0]=3 296 B9R1.15 c1ccc(c(c1)NN)Br ACT02736 [0,2,0,0,0,0|1,0,0]=3 297 B9R1.15 c1ccc(c(c1)NN)Cl ACT12543 [0,2,0,0,0,0|1,0,0]=3 298 B9R1.15 c1ccc(c(c1)NN)F ACT00607 [0,2,0,0,0,0|1,0,0]=3 299 B9R1.15 c1cncc(c1C#N)Cl ACT01326 [0,2,0,0,0,0|0,0,1]=3 300 B9R1.15 c1cncc(c1C#N)F ACT11219 [0,2,0,0,0,0|0,0,1]=3 301 B9R1.15 c1cncc(c1C#N)N ACT04528 [0,2,0,0,0,0|0,0,1]=3 302 B9R1.15 c1cncc(c1C=O)Cl ACT11394 [0,2,0,0,0,0|1,0,0]=3 303 B9R1.15 c1cncc(c1Cl)C#N ACT01618 [0,2,0,0,0,0|1,0,0]=3 304 B9R1.15 c1cncc(c1Cl)CO ACT07419 [0,2,0,0,0,0|1,0,0]=3 305 B9R1.69 Cc1c(cc(cn1)Br)N ACT01458 [0,2,0,0,0,0|2,0,0]=4 306 B9R1.69 Cc1c(ccc(n1)N)Br ACT01293 [0,2,0,0,0,0|2,0,0]=4 307 B9R1.69 Cc1cc(c(nc1)Cl)N ACT07938 [0,2,0,0,0,0|2,0,0]=4 308 B9R1.69 Cc1cc(c(nc1)N)Br ACT07158 [0,2,0,0,0,0|2,0,0]=4 309 B9R1.69 Cc1cc(ccc1N)I ACT06479 [0,2,0,0,0,0|1,0,0]=3 310 B9R1.69 Cc1cc(cnc1Br)N ACT08024 [0,2,0,0,0,0|2,0,0]=4 311 B9R1.69 Cc1cc(cnc1Cl)N ACT08018 [0,2,0,0,0,0|2,0,0]=4 312 B9R1.69 Cc1cc(cnc1F)N ACT11393 [0,2,0,0,0,0|2,0,0]=4 313 B9R1.69 Cc1cc(cnc1N)Br ACT05511 [0,2,0,0,0,0|2,0,0]=4 314 B9R1.69 Cc1cc(nnc1Cl)Cl ACT07885 [0,2,0,0,0,0|2,0,0]=4 315 B9R1.69 Cc1ccc(cc1O)Br ACT00380 [0,2,0,0,0,0|2,0,0]=4 316 B9R1.69 Cn1ccc(cc1=O)Br ACT04439 [0,2,0,0,0,0|1,0,1]=4 317 B9R1.69 c1c(c([nH]c(=O)n1)N)I ACT11320 [0,2,0,0,0,0|1,0,0]=3 318 B9R1.69 c1c(c(c[nH]c1=O)Cl)O ACT04735 [0,2,0,0,0,0|1,0,1]=4 319 B9R1.69 c1c(c(cnc1Cl)N)Cl ACT10147 [0,2,0,0,0,0|1,0,0]=3 320 B9R1.69 c1c(c(nc(=O)[nH]1)N)F ACT11644 [0,2,0,0,0,0|1,0,1]=4 321 B9R1.69 c1c(c(nc(n1)Cl)Cl)Br ACT01288 [0,2,0,0,0,0|2,0,0]=4 322 B9R1.69 c1c(c(nc(n1)Cl)Cl)F ACT01407 [0,2,0,0,0,0|2,0,0]=4 323 B9R1.69 c1c(c(nc(n1)Cl)Cl)I ACT01264 [0,2,0,0,0,0|2,0,0]=4 324 B9R1.69 c1c(cnc(c1N)N)Br ACT01378 [0,2,0,0,0,0|2,0,0]=4 325 B9R1.69 c1cc(c(cc1Br)Cl)I ACT01064 [0,2,0,0,0,0|2,0,0]=4 326 B9R1.69 c1cc(c(cc1Br)F)Cl ACT12573 [0,2,0,0,0,0|2,0,0]=4 327 B9R1.69 c1cc(c(cc1Br)N)O ACT00293 [0,2,0,0,0,0|1,0,0]=3 328 B9R1.69 c1cc(c(cc1Br)O)Cl ACT11823 [0,2,0,0,0,0|2,0,0]=4 329 B9R1.69 c1cc(c(cc1Cl)O)Br ACT11828 [0,2,0,0,0,0|2,0,0]=4 330 B9R1.69 c1cc(c(cc1F)Br)O ACT00974 [0,2,0,0,0,0|2,0,0]=4 331 B9R1.69 c1cc(c(cc1F)F)Br ACT06929 [0,2,0,0,0,0|2,0,0]=4 332 B9R1.69 c1cc(c(cc1F)O)Cl ACT00392 [0,2,0,0,0,0|2,0,0]=4 333 B9R1.69 c1cc(c(cc1I)F)N ACT11472 [0,2,0,0,0,0|1,0,0]=3 334 B9R1.69 c1cc(c(cc1N)F)Cl ACT00090 [0,2,0,0,0,0|1,0,0]=3 335 B9R1.69 c1cc(c(cc1N)I)N ACT08626 [0,2,0,0,0,0|1,0,0]=3 336 B9R1.69 c1cc(c(cc1O)Br)F ACT00228 [0,2,0,0,0,0|2,0,0]=4 337 B9R1.69 c1cc(c(cc1O)Br)O ACT09875 [0,2,0,0,0,0|2,0,0]=4 338 B9R1.69 c1cc(c(cc1O)Cl)N ACT06778 [0,2,0,0,0,0|1,0,0]=3 339 B9R1.69 c1cc(c(cc1O)O)Br ACT00321 [0,2,0,0,0,0|2,0,0]=4 340 B9R1.69 c1cc(c(cc1O)O)F ACT03042 [0,2,0,0,0,0|2,0,0]=4 341 B9R1.69 c1cc(nc(c1N)Cl)Br ACT07346 [0,2,0,0,0,0|2,0,0]=4 342 B9R1.3 Cc1c(cccc1Br)N ACT00146 [0,2,0,0,0,0|1,0,0]=3 343 B9R1.3 Cc1c(ncnc1Cl)N ACT08637 [0,2,0,0,0,0|1,0,0]=3 344 B9R1.3 Cc1c(ncnc1O)O ACT09965 [0,2,0,0,0,0|2,0,0]=4 345 B9R1.3 Cc1cccc(c1F)F ACT00316 [0,2,0,0,0,0|2,0,0]=4 346 B9R1.3 c1cc(c(c(c1)F)Cl)N ACT00089 [0,2,0,0,0,0|1,0,0]=3 347 B9R1.3 c1cnc(c(c1Cl)I)Cl ACT11398 [0,2,0,0,0,0|1,0,0]=3 348 B9R1.3 c1cnc(c(c1I)Cl)Cl ACT11397 [0,2,0,0,0,0|1,0,0]=3 349 B9R1.3 c1cnc(c(c1I)F)F ACT11144 [0,2,0,0,0,0|1,0,0]=3 350 B9R1.3 c1nc(c(c(n1)N)I)N ACT05001 [0,2,0,0,0,0|1,0,0]=3 351 B9R1.34 Cc1cc(cc(c1)Br)O ACT00270 [0,2,0,0,0,0|2,0,0]=4 352 B9R1.34 Cc1cc(nc(n1)N)Cl ACT01430 [0,2,0,0,0,0|2,0,0]=4 353 B9R1.34 Cc1nc(cc(n1)Cl)Cl ACT06398 [0,2,0,0,0,0|2,0,0]=4 354 B9R1.34 Cc1nc(cc(n1)O)O ACT01596 [0,2,0,0,0,0|2,0,0]=4 355 B9R1.34 Cc1nc(cc(n1)O)O ACT09111 [0,2,0,0,0,0|2,0,0]=4 356 B9R1.34 c1c(cc(cc1Br)Br)Br ACT03250 [0,2,0,0,0,0|2,0,0]=4 357 B9R1.34 c1c(cc(cc1F)Br)O ACT11630 [0,2,0,0,0,0|2,0,0]=4 358 B9R1.34 c1c(cc(cc1O)O)O ACT13445 [0,2,0,0,0,0|2,0,0]=4 359 B9R1.34 c1c(cc(cc1O)O)O ACT13446 [0,2,0,0,0,0|2,0,0]=4 360 B9R1.34 c1c(cc(nc1N)Cl)Cl ACT01313 [0,2,0,0,0,0|1,0,0]=3 361 B9R1.34 c1c(cc(nc1N)N)Br ACT09551 [0,2,0,0,0,0|1,0,0]=3 362 B9R1.34 c1c(nc(nc1Cl)N)Cl ACT01426 [0,2,0,0,0,0|2,0,0]=4 363 B5R1.1 c1cc[nH]c1 ACT06585 [1,0,0,0,1,0|0,0,1]=3