0 B7R1.3 C1CC=CC(C1)O ACT10372 [0,0,0,0,0,0|0,0,4]=4 1 B7R1.3 Cc1cnccn1 ACT06608 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.3 Cc1cncnc1 ACT01372 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.3 c1c(cncn1)Br ACT01658 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 c1c(cncn1)Cl ACT01272 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 c1cc(=O)[nH]nc1 ACT01784 [0,0,0,0,0,0|2,0,1]=3 6 B7R1.3 c1cc(cnc1)Br ACT01584 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 c1cc(cnc1)Cl ACT01563 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.3 c1cc(cnc1)I ACT07335 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.3 c1cc(cnc1)N ACT09740 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.3 c1cc(cnc1)O ACT07256 [0,0,0,0,0,0|1,0,0]=1 11 B7R1.3 c1ccc(cc1)Br ACT03428 [0,0,0,0,0,0|1,0,0]=1 12 B7R1.3 c1ccc(cc1)I ACT05473 [0,0,0,0,0,0|1,0,0]=1 13 B7R1.3 c1ccc(cc1)P ACT04087 [0,0,0,0,0,0|1,0,0]=1 14 B7R1.3 c1ccnc(c1)Br ACT05539 [0,0,0,0,0,0|2,0,0]=2 15 B7R1.3 c1ccnc(c1)F ACT01456 [0,0,0,0,0,0|2,0,0]=2 16 B7R1.3 c1ccnc(c1)I ACT09780 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.3 c1ccnc(c1)N ACT09785 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.3 c1ccnc(c1)O ACT08592 [0,0,0,0,0,0|1,0,0]=1 19 B7R1.3 c1ccnc(c1)S ACT05649 [0,0,0,0,0,0|1,1,0]=2 20 B7R1.3 c1cnc(cn1)Br ACT01757 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.3 c1cnc(cn1)Cl ACT11007 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.3 c1cnc(cn1)N ACT01748 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.3 c1cnc(cn1)S ACT06620 [0,0,0,0,0,0|2,1,0]=3 24 B7R1.3 c1cnc(nc1)Br ACT04714 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.3 c1cnc(nc1)I ACT06633 [0,0,0,0,0,0|3,0,0]=3 26 B7R1.3 c1cnccc1Br ACT03436 [0,0,0,0,0,0|2,0,0]=2 27 B7R1.3 c1cnccc1Cl ACT01622 [0,0,0,0,0,0|2,0,0]=2 28 B7R1.3 c1cnccc1N ACT05167 [0,0,0,0,0,0|2,0,0]=2 29 B7R1.3 c1cnccc1O ACT05166 [0,0,0,0,0,0|1,0,0]=1 30 B7R1.3 c1cnccc1O ACT09926 [0,0,0,0,0,0|1,0,0]=1 31 B7R1.3 c1cnccc1S ACT05165 [0,0,0,0,0,0|1,1,0]=2 32 B6R1.1 c1ccncc1 ACT11913 [1,0,0,0,0,0|1,0,0]=2 33 B6R1.1 c1cnccn1 ACT06596 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.2 C#Cc1ccccc1 ACT08960 [0,1,0,0,0,0|1,0,0]=2 35 B8R1.2 C#Cc1ccccn1 ACT09195 [0,1,0,0,0,0|2,0,0]=3 36 B8R1.2 C#Cc1cccnc1 ACT01363 [0,1,0,0,0,0|2,0,0]=3 37 B8R1.2 C#Cc1ccncc1 ACT01287 [0,1,0,0,0,0|2,0,0]=3 38 B8R1.2 COc1ccccn1 ACT06584 [0,1,0,0,0,0|1,0,0]=2 39 B8R1.2 COc1ccncc1 ACT01615 [0,1,0,0,0,0|1,0,0]=2 40 B8R1.2 COc1cnccn1 ACT06613 [0,1,0,0,0,0|2,0,0]=3 41 B8R1.2 CSc1cnccn1 ACT01756 [0,1,0,0,0,0|2,1,0]=4 42 B8R1.2 c1cc(cnc1)C#N ACT05843 [0,1,0,0,0,0|2,0,0]=3 43 B8R1.2 c1cc(cnc1)C=O ACT04700 [0,1,0,0,0,0|1,0,1]=3 44 B8R1.2 c1ccc(cc1)CS ACT06261 [0,1,0,0,0,0|0,1,0]=2 45 B8R1.2 c1ccnc(c1)C#N ACT05842 [0,1,0,0,0,0|2,0,0]=3 46 B8R1.2 c1ccnc(c1)C=O ACT07081 [0,1,0,0,0,0|1,0,1]=3 47 B8R1.2 c1cnc(cn1)C#N ACT11023 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.2 c1cnc(cn1)CN ACT11863 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.2 c1cnc(cn1)NN ACT08309 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.2 c1cnccc1C#N ACT01368 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.2 c1cnccc1C=O ACT05935 [0,1,0,0,0,0|1,0,1]=3 52 B8R1.2 c1cnccc1CO ACT05965 [0,1,0,0,0,0|1,0,0]=2 53 B8R1.3 Cc1ccc(cc1)Cl ACT03438 [0,1,0,0,0,0|1,0,0]=2 54 B8R1.3 Cc1ccc(cc1)I ACT13438 [0,1,0,0,0,0|1,0,0]=2 55 B8R1.3 Cc1ccc(cn1)N ACT04814 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.3 Cc1ccc(cn1)N ACT04814 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.3 Cc1ccc(cn1)O ACT05416 [0,1,0,0,0,0|1,0,0]=2 58 B8R1.3 Cc1ccc(nc1)O ACT03720 [0,1,0,0,0,0|1,0,0]=2 59 B8R1.3 Cc1cnc(cn1)C ACT06610 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.3 Cc1cnc(cn1)N ACT09845 [0,1,0,0,0,0|3,0,0]=4 61 B8R1.3 c1c(cnc(n1)Br)Br ACT01413 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.3 c1c(cnc(n1)Cl)Br ACT01649 [0,1,0,0,0,0|3,0,0]=4 63 B8R1.3 c1c(cnc(n1)Cl)Cl ACT04708 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.3 c1c(cnc(n1)Cl)F ACT01500 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.3 c1c(cnc(n1)Cl)I ACT11316 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.3 c1c(cnc(n1)Cl)O ACT07774 [0,1,0,0,0,0|2,0,0]=3 67 B8R1.3 c1c(cnc(n1)F)Br ACT04711 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.3 c1c(cnc(n1)I)Br ACT01645 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.3 c1c(cnc(n1)I)Cl ACT06628 [0,1,0,0,0,0|3,0,0]=4 70 B8R1.3 c1c(cnc(n1)N)Br ACT01308 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.3 c1c(ncc(n1)Br)N ACT01747 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.3 c1c(ncc(n1)Br)O ACT01749 [0,1,0,0,0,0|2,0,0]=3 73 B8R1.3 c1cc(ccc1Br)Br ACT03271 [0,1,0,0,0,0|1,0,0]=2 74 B8R1.3 c1cc(ccc1Br)I ACT05996 [0,1,0,0,0,0|1,0,0]=2 75 B8R1.3 c1cc(ccc1Cl)Br ACT03424 [0,1,0,0,0,0|1,0,0]=2 76 B8R1.3 c1cc(ccc1F)Br ACT03427 [0,1,0,0,0,0|1,0,0]=2 77 B8R1.3 c1cc(ccc1F)I ACT00292 [0,1,0,0,0,0|1,0,0]=2 78 B8R1.3 c1cc(ccc1N)I ACT00167 [0,1,0,0,0,0|1,0,0]=2 79 B8R1.3 c1cc(ccc1O)I ACT05464 [0,1,0,0,0,0|0,0,0]=1 80 B8R1.3 c1cc(ncc1Br)Br ACT01379 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.3 c1cc(ncc1Br)Cl ACT07051 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.3 c1cc(ncc1Br)F ACT01646 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.3 c1cc(ncc1Br)I ACT01445 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.3 c1cc(ncc1Br)N ACT01339 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.3 c1cc(ncc1Br)O ACT01650 [0,1,0,0,0,0|1,0,0]=2 86 B8R1.3 c1cc(ncc1Cl)N ACT01437 [0,1,0,0,0,0|2,0,0]=3 87 B8R1.3 c1cc(ncc1F)Cl ACT01499 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.3 c1cc(ncc1I)Cl ACT04468 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.3 c1cc(ncc1I)N ACT01433 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.3 c1cc(ncc1N)Br ACT05519 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.3 c1cc(ncc1N)Cl ACT05515 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.3 c1cc(ncc1N)O ACT04951 [0,1,0,0,0,0|1,0,0]=2 93 B8R1.3 c1cc(ncc1O)Br ACT05329 [0,1,0,0,0,0|1,0,0]=2 94 B8R1.3 c1cc(ncc1O)Cl ACT01291 [0,1,0,0,0,0|1,0,0]=2 95 B8R1.3 c1cc(ncc1O)F ACT01454 [0,1,0,0,0,0|1,0,0]=2 96 B8R1.3 c1cc(ncc1O)N ACT01298 [0,1,0,0,0,0|1,0,0]=2 97 B8R1.4 Cc1cc(ccn1)N ACT01463 [0,1,0,0,0,0|2,0,0]=3 98 B8R1.4 Cc1cc(cnc1)Br ACT06735 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.4 Cc1cc(cnc1)N ACT06734 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.4 Cc1cccc(c1)I ACT05470 [0,1,0,0,0,0|1,0,0]=2 101 B8R1.4 Cc1cccc(n1)Br ACT01537 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.4 Cc1cccc(n1)Cl ACT01505 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.4 Cc1cccc(n1)N ACT01440 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.4 Cc1cccc(n1)O ACT06907 [0,1,0,0,0,0|1,0,0]=2 105 B8R1.4 Cc1ccnc(c1)Br ACT04704 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.4 Cc1ccnc(c1)Cl ACT05469 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.4 Cc1ccnc(c1)N ACT11127 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.4 Cc1ccnc(c1)O ACT08283 [0,1,0,0,0,0|1,0,0]=2 109 B8R1.4 Cc1ccnc(n1)O ACT08959 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.4 Cc1cncc(n1)Cl ACT11347 [0,1,0,0,0,0|3,0,0]=4 111 B8R1.4 Cc1cncc(n1)N ACT11343 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.4 Cc1cncc(n1)O ACT11353 [0,1,0,0,0,0|2,0,0]=3 113 B8R1.4 c1c(cncc1Br)Br ACT01356 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.4 c1c(cncc1Br)Cl ACT10151 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.4 c1c(cncc1Br)F ACT01290 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.4 c1c(cncc1Br)F ACT01290 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.4 c1c(cncc1Br)N ACT01375 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.4 c1c(cncc1Br)N ACT01375 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.4 c1c(cncc1Br)O ACT10407 [0,1,0,0,0,0|1,0,0]=2 120 B8R1.4 c1c(cncc1Br)O ACT10407 [0,1,0,0,0,0|1,0,0]=2 121 B8R1.4 c1c(cncc1Cl)N ACT11036 [0,1,0,0,0,0|2,0,0]=3 122 B8R1.4 c1c(cncc1Cl)O ACT08732 [0,1,0,0,0,0|1,0,0]=2 123 B8R1.4 c1c(cncc1F)O ACT05333 [0,1,0,0,0,0|1,0,0]=2 124 B8R1.4 c1c(ncnc1Cl)Cl ACT10415 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.4 c1cc(c[n+](c1)[O-])F ACT04429 [0,1,0,0,0,0|1,0,1]=3 126 B8R1.4 c1cc(cc(c1)Br)Br ACT03347 [0,1,0,0,0,0|1,0,0]=2 127 B8R1.4 c1cc(cc(c1)Br)Cl ACT03422 [0,1,0,0,0,0|1,0,0]=2 128 B8R1.4 c1cc(cc(c1)Br)N ACT07924 [0,1,0,0,0,0|1,0,0]=2 129 B8R1.4 c1cc(cc(c1)F)N ACT05075 [0,1,0,0,0,0|1,0,0]=2 130 B8R1.4 c1cc(cc(c1)I)Br ACT05730 [0,1,0,0,0,0|1,0,0]=2 131 B8R1.4 c1cc(cc(c1)I)N ACT11585 [0,1,0,0,0,0|1,0,0]=2 132 B8R1.4 c1cc(cc(c1)I)O ACT00797 [0,1,0,0,0,0|0,0,0]=1 133 B8R1.4 c1cc(cc(c1)O)N ACT04954 [0,1,0,0,0,0|0,0,0]=1 134 B8R1.4 c1cc(cc(c1)O)N ACT07279 [0,1,0,0,0,0|0,0,0]=1 135 B8R1.4 c1cc(nc(c1)Br)Br ACT04553 [0,1,0,0,0,0|2,0,0]=3 136 B8R1.4 c1cc(nc(c1)Br)N ACT03472 [0,1,0,0,0,0|2,0,0]=3 137 B8R1.4 c1cc(nc(c1)Cl)Cl ACT11047 [0,1,0,0,0,0|2,0,0]=3 138 B8R1.4 c1cc(nc(c1)Cl)N ACT04480 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.4 c1cc(nc(c1)Cl)O ACT04499 [0,1,0,0,0,0|1,0,0]=2 140 B8R1.4 c1cc(nc(c1)F)N ACT01340 [0,1,0,0,0,0|2,0,0]=3 141 B8R1.4 c1cc(nc(c1)O)N ACT01322 [0,1,0,0,0,0|1,0,0]=2 142 B8R1.4 c1cnc(cc1Br)Cl ACT01496 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.4 c1cnc(cc1Br)I ACT10965 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.4 c1cnc(cc1Br)N ACT01309 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.4 c1cnc(cc1Cl)Br ACT01352 [0,1,0,0,0,0|2,0,0]=3 146 B8R1.4 c1cnc(cc1Cl)N ACT01317 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.4 c1cnc(cc1Cl)O ACT05243 [0,1,0,0,0,0|1,0,0]=2 148 B8R1.4 c1cnc(cc1I)F ACT07574 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.4 c1cnc(cc1N)Br ACT01351 [0,1,0,0,0,0|2,0,0]=3 150 B8R1.4 c1cnc(cc1O)Cl ACT04603 [0,1,0,0,0,0|1,0,0]=2 151 B8R1.4 c1cnc(cc1O)N ACT01285 [0,1,0,0,0,0|1,0,0]=2 152 B8R1.4 c1cnc(nc1Br)N ACT04459 [0,1,0,0,0,0|3,0,0]=4 153 B8R1.4 c1cnc(nc1Cl)N ACT01381 [0,1,0,0,0,0|3,0,0]=4 154 B8R1.5 Cc1c(cccn1)N ACT01459 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.5 Cc1c(cccn1)N ACT01459 [0,1,0,0,0,0|2,0,0]=3 156 B8R1.5 Cc1c(cccn1)O ACT01461 [0,1,0,0,0,0|1,0,0]=2 157 B8R1.5 Cc1ccc[nH]c1=O ACT01511 [0,1,0,0,0,0|1,0,1]=3 158 B8R1.5 Cc1ccccc1I ACT05468 [0,1,0,0,0,0|1,0,0]=2 159 B8R1.5 Cc1cccnc1Br ACT06975 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.5 Cc1cccnc1N ACT04697 [0,1,0,0,0,0|2,0,0]=3 161 B8R1.5 Cc1ccncc1N ACT01358 [0,1,0,0,0,0|2,0,0]=3 162 B8R1.5 Cc1cnccc1N ACT01603 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.5 c1cc(c(=O)[nH]c1)Br ACT07182 [0,1,0,0,0,0|1,0,1]=3 164 B8R1.5 c1cc(c(nc1)Br)N ACT03644 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.5 c1cc(c(nc1)Cl)Br ACT01362 [0,1,0,0,0,0|2,0,0]=3 166 B8R1.5 c1cc(c(nc1)Cl)F ACT01345 [0,1,0,0,0,0|2,0,0]=3 167 B8R1.5 c1cc(c(nc1)Cl)I ACT01479 [0,1,0,0,0,0|2,0,0]=3 168 B8R1.5 c1cc(c(nc1)F)I ACT01260 [0,1,0,0,0,0|2,0,0]=3 169 B8R1.5 c1cc(c(nc1)F)O ACT07366 [0,1,0,0,0,0|1,0,0]=2 170 B8R1.5 c1cc(c(nc1)I)F ACT04430 [0,1,0,0,0,0|2,0,0]=3 171 B8R1.5 c1cc(c(nc1)I)O ACT11077 [0,1,0,0,0,0|1,0,0]=2 172 B8R1.5 c1cc(c(nc1)N)I ACT11375 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.5 c1cc(c(nc1)N)N ACT01388 [0,1,0,0,0,0|2,0,0]=3 174 B8R1.5 c1cc(c(nc1)O)Cl ACT04473 [0,1,0,0,0,0|1,0,0]=2 175 B8R1.5 c1cc(c(nc1)O)N ACT01552 [0,1,0,0,0,0|1,0,0]=2 176 B8R1.5 c1cc[n+](c(c1)Br)[O-] ACT10359 [0,1,0,0,0,0|1,0,1]=3 177 B8R1.5 c1cc[n+](c(c1)O)[O-] ACT10992 [0,1,0,0,0,0|1,0,0]=2 178 B8R1.5 c1ccc(c(c1)Br)Br ACT07584 [0,1,0,0,0,0|1,0,0]=2 179 B8R1.5 c1ccc(c(c1)Br)I ACT05474 [0,1,0,0,0,0|1,0,0]=2 180 B8R1.5 c1ccc(c(c1)Cl)Br ACT03421 [0,1,0,0,0,0|1,0,0]=2 181 B8R1.5 c1ccc(c(c1)N)Br ACT07744 [0,1,0,0,0,0|1,0,0]=2 182 B8R1.5 c1ccc(c(c1)N)I ACT07811 [0,1,0,0,0,0|1,0,0]=2 183 B8R1.5 c1ccc(c(c1)O)I ACT05465 [0,1,0,0,0,0|0,0,0]=1 184 B8R1.5 c1ccc(c(c1)S)S ACT11907 [0,1,0,0,0,0|0,1,0]=2 185 B8R1.5 c1cncc(c1Cl)Cl ACT11396 [0,1,0,0,0,0|2,0,0]=3 186 B8R1.5 c1cncc(c1I)Cl ACT11376 [0,1,0,0,0,0|2,0,0]=3 187 B8R1.5 c1cncc(c1I)F ACT11381 [0,1,0,0,0,0|2,0,0]=3 188 B8R1.5 c1cncc(c1N)Br ACT01578 [0,1,0,0,0,0|2,0,0]=3 189 B6R0.4 C(\C=C\C(=O)O)Cl ACT11965 [0,0,1,0,0,0|2,0,1]=4 190 B6R1.2 Cc1c[nH]nc1 ACT08853 [0,0,0,0,1,0|3,0,0]=4 191 B6R1.2 Cc1cc[nH]c1 ACT05027 [0,0,0,0,1,0|2,0,0]=3 192 B6R1.2 Cc1cc[nH]n1 ACT05681 [0,0,0,0,1,0|3,0,0]=4 193 B6R1.2 Cc1cc[nH]n1 ACT05681 [0,0,0,0,1,0|3,0,0]=4 194 B6R1.2 c1c(cn[nH]1)Cl ACT05129 [0,0,0,0,1,0|3,0,0]=4 195 B6R1.2 c1c(nc[nH]1)Br ACT02022 [0,0,0,0,1,0|3,0,0]=4 196 B6R1.2 c1cc(oc1)Br ACT11323 [0,0,0,0,1,0|2,0,0]=3 197 B6R1.2 c1cc(sc1)S ACT06594 [0,0,0,0,1,0|1,1,0]=3 198 B6R1.2 c1cnc([nH]1)N ACT02001 [0,0,0,0,1,0|3,0,0]=4 199 B6R1.2 c1cscc1Br ACT10486 [0,0,0,0,1,0|2,0,0]=3 200 B5R0.2 C=CCCC=C ACT05312 [1,0,1,0,0,0|0,0,2]=4 201 B7R0.1 CCC=CC=CC=O ACT06050 [0,1,1,0,0,0|0,0,2]=4 202 B7R1.1 C#Cc1cccs1 ACT09722 [0,1,0,0,1,0|2,0,0]=4 203 B7R1.1 C#Cc1ccsc1 ACT10036 [0,1,0,0,1,0|2,0,0]=4 204 B7R1.1 CCc1ccco1 ACT06582 [0,1,0,0,1,0|2,0,0]=4 205 B7R1.1 CCc1ccsc1 ACT11601 [0,1,0,0,1,0|2,0,0]=4 206 B7R1.1 COc1cccs1 ACT11607 [0,1,0,0,1,0|1,0,0]=3 207 B7R1.1 COc1ccsc1 ACT11613 [0,1,0,0,1,0|1,0,0]=3 208 B7R1.1 c1cc([nH]c1)C=O ACT05084 [0,1,0,0,1,0|1,0,1]=4 209 B7R1.1 c1cc(oc1)CO ACT06575 [0,1,0,0,1,0|1,0,0]=3 210 B7R1.1 c1cc(oc1)CS ACT06272 [0,1,0,0,1,0|1,1,0]=4 211 B7R1.1 c1cscc1C=O ACT02286 [0,1,0,0,1,0|1,0,1]=4 212 B7R1.1 c1cscc1CBr ACT02290 [0,1,0,0,1,0|2,0,0]=4 213 B7R1.1 c1cscc1CO ACT10114 [0,1,0,0,1,0|1,0,0]=3 214 B7R1.2 C1=CC(=O)NC1=O ACT09826 [0,1,0,0,1,0|1,0,1]=4 215 B7R1.2 Cc1ccc(o1)C ACT06577 [0,1,0,0,1,0|2,0,0]=4 216 B7R1.4 Cc1c(cco1)S ACT06377 [0,1,0,0,1,0|1,1,0]=4 217 B7R1.4 Cc1ccsc1Br ACT02266 [0,1,0,0,1,0|2,0,0]=4 218 B7R1.4 Cc1cscc1Br ACT08579 [0,1,0,0,1,0|2,0,0]=4 219 B7R1.4 c1csc(c1Br)Br ACT11602 [0,1,0,0,1,0|2,0,0]=4 220 B9R1.1 C#Cc1ccc(cc1)Br ACT10256 [0,2,0,0,0,0|1,0,0]=3 221 B9R1.1 C#Cc1ccc(cc1)F ACT00296 [0,2,0,0,0,0|1,0,0]=3 222 B9R1.1 C1=CC(=O)C=CC1=NO ACT05401 [0,2,0,0,0,0|0,0,0]=2 223 B9R1.1 C=Cc1ccc(cc1)Cl ACT07088 [0,2,0,0,0,0|1,0,0]=3 224 B9R1.1 COc1ccc(cc1)Br ACT04984 [0,2,0,0,0,0|0,0,0]=2 225 B9R1.1 COc1ccc(cn1)Br ACT01474 [0,2,0,0,0,0|1,0,0]=3 226 B9R1.1 COc1ccc(cn1)O ACT11358 [0,2,0,0,0,0|1,0,0]=3 227 B9R1.1 COc1cnc(nc1)Cl ACT06635 [0,2,0,0,0,0|2,0,0]=4 228 B9R1.1 COc1ncc(cn1)Br ACT01648 [0,2,0,0,0,0|2,0,0]=4 229 B9R1.1 Cc1ccc(cc1)C#C ACT10257 [0,2,0,0,0,0|1,0,0]=3 230 B9R1.1 Cc1ccc(cc1)NN ACT01152 [0,2,0,0,0,0|1,0,0]=3 231 B9R1.1 Cc1ccc(cn1)C=O ACT01664 [0,2,0,0,0,0|1,0,1]=4 232 B9R1.1 c1c(ncc(n1)Cl)CO ACT10135 [0,2,0,0,0,0|2,0,0]=4 233 B9R1.1 c1cc(ccc1C#N)Br ACT01176 [0,2,0,0,0,0|1,0,0]=3 234 B9R1.1 c1cc(ccc1C#N)I ACT08158 [0,2,0,0,0,0|1,0,0]=3 235 B9R1.1 c1cc(ccc1C=O)O ACT01156 [0,2,0,0,0,0|0,0,0]=2 236 B9R1.1 c1cc(ccc1CO)N ACT00253 [0,2,0,0,0,0|0,0,0]=2 237 B9R1.1 c1cc(ccc1NN)Br ACT12528 [0,2,0,0,0,0|1,0,0]=3 238 B9R1.1 c1cc(ccc1NN)Cl ACT02825 [0,2,0,0,0,0|1,0,0]=3 239 B9R1.1 c1cc(ccc1NN)F ACT08904 [0,2,0,0,0,0|1,0,0]=3 240 B9R1.1 c1cc(ncc1Br)C#N ACT01653 [0,2,0,0,0,0|2,0,0]=4 241 B9R1.1 c1cc(ncc1Br)C=O ACT11369 [0,2,0,0,0,0|1,0,1]=4 242 B9R1.1 c1cc(ncc1Br)NN ACT04516 [0,2,0,0,0,0|2,0,0]=4 243 B9R1.1 c1cc(ncc1C#N)Cl ACT05259 [0,2,0,0,0,0|2,0,0]=4 244 B9R1.1 c1cc(ncc1C#N)Cl ACT05444 [0,2,0,0,0,0|2,0,0]=4 245 B9R1.1 c1cc(ncc1C=O)Br ACT01267 [0,2,0,0,0,0|1,0,1]=4 246 B9R1.1 c1cc(ncc1C=O)Cl ACT06906 [0,2,0,0,0,0|1,0,1]=4 247 B9R1.1 c1cc(ncc1CCl)Cl ACT01502 [0,2,0,0,0,0|2,0,0]=4 248 B9R1.1 c1cc(ncc1CO)Br ACT07897 [0,2,0,0,0,0|1,0,0]=3 249 B9R1.1 c1cc(ncc1CO)Cl ACT07560 [0,2,0,0,0,0|1,0,0]=3 250 B9R1.2 C#Cc1cc(cnc1)Cl ACT09548 [0,2,0,0,0,0|2,0,0]=4 251 B9R1.2 C#Cc1cccc(c1)N ACT00085 [0,2,0,0,0,0|1,0,0]=3 252 B9R1.2 C=Cc1cccc(c1)Cl ACT07505 [0,2,0,0,0,0|1,0,0]=3 253 B9R1.2 COc1cc(ccn1)Br ACT01471 [0,2,0,0,0,0|1,0,0]=3 254 B9R1.2 COc1cc(cnc1)Br ACT10406 [0,2,0,0,0,0|1,0,0]=3 255 B9R1.2 COc1cccc(c1)Br ACT04958 [0,2,0,0,0,0|0,0,0]=2 256 B9R1.2 COc1cccc(c1)S ACT04985 [0,2,0,0,0,0|0,0,0]=2 257 B9R1.2 COc1cccc(n1)Br ACT05651 [0,2,0,0,0,0|1,0,0]=3 258 B9R1.2 COc1cccc(n1)Cl ACT10158 [0,2,0,0,0,0|1,0,0]=3 259 B9R1.2 COc1cccc(n1)N ACT01441 [0,2,0,0,0,0|1,0,0]=3 260 B9R1.2 COc1ccnc(c1)N ACT04461 [0,2,0,0,0,0|1,0,0]=3 261 B9R1.2 Cc1cccc(c1)C#C ACT10255 [0,2,0,0,0,0|1,0,0]=3 262 B9R1.2 Cc1cccc(c1)NN ACT08527 [0,2,0,0,0,0|1,0,0]=3 263 B9R1.2 Cc1cccc(n1)C#N ACT01521 [0,2,0,0,0,0|2,0,0]=4 264 B9R1.2 Cc1cccc(n1)C=O ACT01662 [0,2,0,0,0,0|1,0,1]=4 265 B9R1.2 Cc1cccc(n1)CO ACT07360 [0,2,0,0,0,0|1,0,0]=3 266 B9R1.2 Cc1ccnc(c1)C#N ACT03484 [0,2,0,0,0,0|2,0,0]=4 267 B9R1.2 c1c(cncc1Br)C=O ACT01654 [0,2,0,0,0,0|1,0,1]=4 268 B9R1.2 c1c(cncc1Br)CO ACT01585 [0,2,0,0,0,0|1,0,0]=3 269 B9R1.2 c1c(cncc1Cl)CO ACT07609 [0,2,0,0,0,0|1,0,0]=3 270 B9R1.2 c1c(ncnc1Cl)CO ACT11876 [0,2,0,0,0,0|2,0,0]=4 271 B9R1.2 c1cc(c[n+](c1)[O-])CN ACT11995 [0,2,0,0,0,0|1,0,1]=4 272 B9R1.2 c1cc(cc(c1)Br)C#N ACT00928 [0,2,0,0,0,0|1,0,0]=3 273 B9R1.2 c1cc(cc(c1)Br)CBr ACT01196 [0,2,0,0,0,0|1,0,0]=3 274 B9R1.2 c1cc(cc(c1)Br)CO ACT13271 [0,2,0,0,0,0|0,0,0]=2 275 B9R1.2 c1cc(cc(c1)Br)NN ACT07730 [0,2,0,0,0,0|1,0,0]=3 276 B9R1.2 c1cc(cc(c1)Cl)NN ACT07638 [0,2,0,0,0,0|1,0,0]=3 277 B9R1.2 c1cc(cc(c1)F)NN ACT12550 [0,2,0,0,0,0|1,0,0]=3 278 B9R1.2 c1cc(cc(c1)I)C#N ACT01185 [0,2,0,0,0,0|1,0,0]=3 279 B9R1.2 c1cc(nc(c1)Br)C=O ACT01538 [0,2,0,0,0,0|1,0,1]=4 280 B9R1.2 c1cc(nc(c1)Br)CO ACT01286 [0,2,0,0,0,0|1,0,0]=3 281 B9R1.2 c1cc(nc(c1)Br)NN ACT07724 [0,2,0,0,0,0|2,0,0]=4 282 B9R1.2 c1cc(nc(c1)Cl)C=O ACT11362 [0,2,0,0,0,0|1,0,1]=4 283 B9R1.2 c1cc(nc(c1)Cl)CO ACT04533 [0,2,0,0,0,0|1,0,0]=3 284 B9R1.2 c1cc(nc(c1)Cl)CO ACT10674 [0,2,0,0,0,0|1,0,0]=3 285 B9R1.2 c1cc(nc(c1)Cl)NN ACT04501 [0,2,0,0,0,0|2,0,0]=4 286 B9R1.2 c1cnc(cc1C#N)Br ACT01529 [0,2,0,0,0,0|2,0,0]=4 287 B9R1.2 c1cnc(cc1C#N)Cl ACT01347 [0,2,0,0,0,0|2,0,0]=4 288 B9R1.2 c1cnc(cc1C#N)N ACT01292 [0,2,0,0,0,0|2,0,0]=4 289 B9R1.2 c1cnc(cc1CN)Br ACT11159 [0,2,0,0,0,0|2,0,0]=4 290 B9R1.2 c1cnc(cc1CO)Br ACT05523 [0,2,0,0,0,0|1,0,0]=3 291 B9R1.2 c1cnc(cc1Cl)C#N ACT04438 [0,2,0,0,0,0|2,0,0]=4 292 B9R1.2 c1cnc(cc1Cl)CO ACT04531 [0,2,0,0,0,0|1,0,0]=3 293 B9R1.2 c1cnc(cc1NN)Cl ACT11355 [0,2,0,0,0,0|2,0,0]=4 294 B9R1.6 B(c1ccccc1)(O)O ACT02221 [0,2,0,0,0,0|0,0,0]=2 295 B9R1.6 B(c1cccnc1)(O)O ACT01359 [0,2,0,0,0,0|1,0,0]=3 296 B9R1.6 B(c1ccncc1)(O)O ACT04727 [0,2,0,0,0,0|1,0,0]=3 297 B9R1.6 B(c1cncnc1)(O)O ACT05283 [0,2,0,0,0,0|2,0,0]=4 298 B9R1.6 CC(=O)c1ccccn1 ACT06583 [0,2,0,0,0,0|1,0,1]=4 299 B9R1.6 CC(=O)c1cccnc1 ACT09581 [0,2,0,0,0,0|1,0,1]=4 300 B9R1.6 CN(C)c1ccncc1 ACT01613 [0,2,0,0,0,0|2,0,0]=4 301 B9R1.6 C[C@@H](c1ccccn1)N ACT09467 [0,2,0,0,0,0|2,0,0]=4 302 B9R1.6 C[C@H](c1ccccc1)N ACT09657 [0,2,0,0,0,0|1,0,0]=3 303 B9R1.6 c1cc(cnc1)C(=N)N ACT04510 [0,2,0,0,0,0|2,0,0]=4 304 B9R1.6 c1cc(cnc1)C(=N)N ACT08665 [0,2,0,0,0,0|2,0,0]=4 305 B9R1.6 c1cc(cnc1)C(=O)O ACT11784 [0,2,0,0,0,0|1,0,0]=3 306 B9R1.6 c1cc(cnc1)C(=S)N ACT05846 [0,2,0,0,0,0|1,1,0]=4 307 B9R1.6 c1ccnc(c1)C(=O)N ACT05877 [0,2,0,0,0,0|1,0,1]=4 308 B9R1.6 c1ccnc(c1)C(=O)O ACT11782 [0,2,0,0,0,0|1,0,0]=3 309 B9R1.6 c1ccnc(c1)C(=S)N ACT05860 [0,2,0,0,0,0|1,1,0]=4 310 B9R1.6 c1cnc(cn1)C(=O)O ACT01760 [0,2,0,0,0,0|2,0,0]=4 311 B9R1.6 c1cnccc1C(=N)N ACT08666 [0,2,0,0,0,0|2,0,0]=4 312 B9R1.6 c1cnccc1C(=O)O ACT11785 [0,2,0,0,0,0|1,0,0]=3 313 B9R1.6 c1cnccc1C(=S)N ACT05856 [0,2,0,0,0,0|1,1,0]=4 314 B9R1.8 C=CCc1ccccc1 ACT11557 [0,2,0,0,0,0|1,0,0]=3 315 B9R1.8 CCOc1cnccn1 ACT06614 [0,2,0,0,0,0|2,0,0]=4 316 B9R1.8 CNCc1ccccc1 ACT05529 [0,2,0,0,0,0|1,0,0]=3 317 B9R1.8 CSSc1ccccc1 ACT06218 [0,2,0,0,0,0|0,1,0]=3 318 B9R1.8 c1cc(cnc1)CCN ACT01355 [0,2,0,0,0,0|2,0,0]=4 319 B9R1.8 c1ccc(cc1)CCBr ACT03430 [0,2,0,0,0,0|1,0,0]=3 320 B9R1.8 c1ccc(cc1)CCCl ACT03431 [0,2,0,0,0,0|1,0,0]=3 321 B9R1.8 c1ccc(cc1)CCS ACT06273 [0,2,0,0,0,0|0,1,0]=3 322 B9R1.8 c1ccnc(c1)CCBr ACT10142 [0,2,0,0,0,0|2,0,0]=4 323 B9R1.8 c1cnccc1CCN ACT01588 [0,2,0,0,0,0|2,0,0]=4 324 B9R1.8 c1cnccc1CCO ACT09815 [0,2,0,0,0,0|1,0,0]=3 325 B9R1.15 C#Cc1ccccc1F ACT10250 [0,2,0,0,0,0|1,0,0]=3 326 B9R1.15 COc1c(cccn1)I ACT04432 [0,2,0,0,0,0|1,0,0]=3 327 B9R1.15 COc1c(cccn1)N ACT07498 [0,2,0,0,0,0|1,0,0]=3 328 B9R1.15 COc1c(nccn1)Cl ACT10814 [0,2,0,0,0,0|2,0,0]=4 329 B9R1.15 COc1ccc[nH]c1=O ACT09226 [0,2,0,0,0,0|1,0,0]=3 330 B9R1.15 COc1ccccc1Br ACT04851 [0,2,0,0,0,0|0,0,0]=2 331 B9R1.15 CSc1c(cccn1)Br ACT04436 [0,2,0,0,0,0|1,1,0]=4 332 B9R1.15 Cc1ccccc1C#C ACT10245 [0,2,0,0,0,0|1,0,0]=3 333 B9R1.15 Cc1ccccc1NN ACT08523 [0,2,0,0,0,0|1,0,0]=3 334 B9R1.15 Cc1cccnc1C#N ACT11034 [0,2,0,0,0,0|2,0,0]=4 335 B9R1.15 c1c[nH]cc(c1=O)C#N ACT10532 [0,2,0,0,0,0|1,0,1]=4 336 B9R1.15 c1cc(c(nc1)Cl)C=O ACT01478 [0,2,0,0,0,0|1,0,1]=4 337 B9R1.15 c1cc(c(nc1)Cl)CN ACT10471 [0,2,0,0,0,0|2,0,0]=4 338 B9R1.15 c1cc(c(nc1)Cl)CO ACT01477 [0,2,0,0,0,0|1,0,0]=3 339 B9R1.15 c1cc(c(nc1)N)C=O ACT01307 [0,2,0,0,0,0|1,0,1]=4 340 B9R1.15 c1cc(c(nc1)N)CO ACT04341 [0,2,0,0,0,0|1,0,0]=3 341 B9R1.15 c1ccc(c(c1)C#N)Cl ACT08962 [0,2,0,0,0,0|1,0,0]=3 342 B9R1.15 c1ccc(c(c1)C#N)I ACT12520 [0,2,0,0,0,0|1,0,0]=3 343 B9R1.15 c1ccc(c(c1)CBr)F ACT00245 [0,2,0,0,0,0|1,0,0]=3 344 B9R1.15 c1ccc(c(c1)CCl)I ACT05459 [0,2,0,0,0,0|1,0,0]=3 345 B9R1.15 c1ccc(c(c1)CN)N ACT09072 [0,2,0,0,0,0|1,0,0]=3 346 B9R1.15 c1ccc(c(c1)CO)I ACT05458 [0,2,0,0,0,0|0,0,0]=2 347 B9R1.15 c1ccc(c(c1)CO)N ACT09816 [0,2,0,0,0,0|0,0,0]=2 348 B9R1.15 c1ccc(c(c1)NN)Br ACT02736 [0,2,0,0,0,0|1,0,0]=3 349 B9R1.15 c1ccc(c(c1)NN)Cl ACT12543 [0,2,0,0,0,0|1,0,0]=3 350 B9R1.15 c1ccc(c(c1)NN)F ACT00607 [0,2,0,0,0,0|1,0,0]=3 351 B9R1.15 c1cncc(c1C#N)Cl ACT01326 [0,2,0,0,0,0|2,0,0]=4 352 B9R1.15 c1cncc(c1C#N)F ACT11219 [0,2,0,0,0,0|2,0,0]=4 353 B9R1.15 c1cncc(c1C#N)N ACT04528 [0,2,0,0,0,0|2,0,0]=4 354 B9R1.15 c1cncc(c1C=O)Cl ACT11394 [0,2,0,0,0,0|1,0,1]=4 355 B9R1.15 c1cncc(c1Cl)C#N ACT01618 [0,2,0,0,0,0|2,0,0]=4 356 B9R1.15 c1cncc(c1Cl)CO ACT07419 [0,2,0,0,0,0|1,0,0]=3 357 B9R1.69 Cc1c(cc(cn1)Br)N ACT01458 [0,2,0,0,0,0|2,0,0]=4 358 B9R1.69 Cc1c(cc(cn1)Cl)Cl ACT08046 [0,2,0,0,0,0|2,0,0]=4 359 B9R1.69 Cc1c(ccc(n1)F)Br ACT08003 [0,2,0,0,0,0|2,0,0]=4 360 B9R1.69 Cc1c(ccc(n1)N)Br ACT01293 [0,2,0,0,0,0|2,0,0]=4 361 B9R1.69 Cc1cc(c(nc1)Cl)Br ACT07353 [0,2,0,0,0,0|2,0,0]=4 362 B9R1.69 Cc1cc(c(nc1)Cl)N ACT07938 [0,2,0,0,0,0|2,0,0]=4 363 B9R1.69 Cc1cc(c(nc1)F)Br ACT11332 [0,2,0,0,0,0|2,0,0]=4 364 B9R1.69 Cc1cc(c(nc1)N)Br ACT07158 [0,2,0,0,0,0|2,0,0]=4 365 B9R1.69 Cc1cc(ccc1N)I ACT06479 [0,2,0,0,0,0|1,0,0]=3 366 B9R1.69 Cc1cc(cnc1Br)Br ACT07110 [0,2,0,0,0,0|2,0,0]=4 367 B9R1.69 Cc1cc(cnc1Br)Cl ACT01526 [0,2,0,0,0,0|2,0,0]=4 368 B9R1.69 Cc1cc(cnc1Br)N ACT08024 [0,2,0,0,0,0|2,0,0]=4 369 B9R1.69 Cc1cc(cnc1Cl)Br ACT01482 [0,2,0,0,0,0|2,0,0]=4 370 B9R1.69 Cc1cc(cnc1Cl)N ACT08018 [0,2,0,0,0,0|2,0,0]=4 371 B9R1.69 Cc1cc(cnc1F)Br ACT07775 [0,2,0,0,0,0|2,0,0]=4 372 B9R1.69 Cc1cc(cnc1F)Cl ACT08004 [0,2,0,0,0,0|2,0,0]=4 373 B9R1.69 Cc1cc(cnc1F)N ACT11393 [0,2,0,0,0,0|2,0,0]=4 374 B9R1.69 Cc1cc(cnc1N)Br ACT05511 [0,2,0,0,0,0|2,0,0]=4 375 B9R1.69 Cc1cc(cnc1O)Br ACT11183 [0,2,0,0,0,0|1,0,0]=3 376 B9R1.69 Cc1ccc(cc1O)Br ACT00380 [0,2,0,0,0,0|0,0,0]=2 377 B9R1.69 Cn1ccc(cc1=O)Br ACT04439 [0,2,0,0,0,0|1,0,1]=4 378 B9R1.69 c1c(c(c[nH]c1=O)Cl)O ACT04735 [0,2,0,0,0,0|1,0,0]=3 379 B9R1.69 c1c(c(cnc1Cl)N)Cl ACT10147 [0,2,0,0,0,0|2,0,0]=4 380 B9R1.69 c1c(c(n[nH]c1=O)O)Br ACT08983 [0,2,0,0,0,0|2,0,0]=4 381 B9R1.69 c1c(cnc(c1Br)Cl)F ACT08977 [0,2,0,0,0,0|2,0,0]=4 382 B9R1.69 c1c(cnc(c1Br)F)Cl ACT05339 [0,2,0,0,0,0|2,0,0]=4 383 B9R1.69 c1c(cnc(c1N)N)Br ACT01378 [0,2,0,0,0,0|2,0,0]=4 384 B9R1.69 c1cc(c(cc1Br)Cl)I ACT01064 [0,2,0,0,0,0|1,0,0]=3 385 B9R1.69 c1cc(c(cc1Br)F)Cl ACT12573 [0,2,0,0,0,0|1,0,0]=3 386 B9R1.69 c1cc(c(cc1Br)N)O ACT00293 [0,2,0,0,0,0|0,0,0]=2 387 B9R1.69 c1cc(c(cc1Br)O)Cl ACT11823 [0,2,0,0,0,0|0,0,0]=2 388 B9R1.69 c1cc(c(cc1Cl)O)Br ACT11828 [0,2,0,0,0,0|0,0,0]=2 389 B9R1.69 c1cc(c(cc1F)Br)O ACT00974 [0,2,0,0,0,0|0,0,0]=2 390 B9R1.69 c1cc(c(cc1F)F)Br ACT06929 [0,2,0,0,0,0|1,0,0]=3 391 B9R1.69 c1cc(c(cc1F)O)Cl ACT00392 [0,2,0,0,0,0|0,0,0]=2 392 B9R1.69 c1cc(c(cc1I)F)N ACT11472 [0,2,0,0,0,0|1,0,0]=3 393 B9R1.69 c1cc(c(cc1N)F)Cl ACT00090 [0,2,0,0,0,0|1,0,0]=3 394 B9R1.69 c1cc(c(cc1N)I)N ACT08626 [0,2,0,0,0,0|1,0,0]=3 395 B9R1.69 c1cc(c(cc1O)Br)F ACT00228 [0,2,0,0,0,0|0,0,0]=2 396 B9R1.69 c1cc(c(cc1O)Br)O ACT09875 [0,2,0,0,0,0|0,0,0]=2 397 B9R1.69 c1cc(c(cc1O)Cl)N ACT06778 [0,2,0,0,0,0|0,0,0]=2 398 B9R1.69 c1cc(c(cc1O)O)Br ACT00321 [0,2,0,0,0,0|0,0,0]=2 399 B9R1.69 c1cc(c(cc1O)O)F ACT03042 [0,2,0,0,0,0|0,0,0]=2 400 B9R1.69 c1cc(nc(c1I)Cl)Br ACT11380 [0,2,0,0,0,0|2,0,0]=4 401 B9R1.69 c1cc(nc(c1N)Cl)Br ACT07346 [0,2,0,0,0,0|2,0,0]=4 402 B9R1.3 Cc1c(cccc1Br)N ACT00146 [0,2,0,0,0,0|1,0,0]=3 403 B9R1.3 Cc1c(ncnc1O)O ACT09965 [0,2,0,0,0,0|2,0,0]=4 404 B9R1.3 Cc1cccc(c1F)F ACT00316 [0,2,0,0,0,0|1,0,0]=3 405 B9R1.3 c1cc([n+](c(c1)Br)[O-])Br ACT11354 [0,2,0,0,0,0|1,0,1]=4 406 B9R1.3 c1cc(c(c(c1)F)Cl)N ACT00089 [0,2,0,0,0,0|1,0,0]=3 407 B9R1.3 c1cnc(c(c1Cl)I)Cl ACT11398 [0,2,0,0,0,0|2,0,0]=4 408 B9R1.3 c1cnc(c(c1I)Cl)Cl ACT11397 [0,2,0,0,0,0|2,0,0]=4 409 B9R1.3 c1cnc(c(c1I)F)F ACT11144 [0,2,0,0,0,0|2,0,0]=4 410 B9R1.34 Cc1cc(cc(c1)Br)O ACT00270 [0,2,0,0,0,0|0,0,0]=2 411 B9R1.34 Cc1nc(cc(n1)O)O ACT01596 [0,2,0,0,0,0|2,0,0]=4 412 B9R1.34 Cc1nc(cc(n1)O)O ACT09111 [0,2,0,0,0,0|2,0,0]=4 413 B9R1.34 c1c(cc(cc1Br)Br)Br ACT03250 [0,2,0,0,0,0|1,0,0]=3 414 B9R1.34 c1c(cc(cc1F)Br)O ACT11630 [0,2,0,0,0,0|0,0,0]=2 415 B9R1.34 c1c(cc(cc1O)O)O ACT13445 [0,2,0,0,0,0|0,0,0]=2 416 B9R1.34 c1c(cc(cc1O)O)O ACT13446 [0,2,0,0,0,0|0,0,0]=2 417 B9R1.34 c1c(cc(nc1N)Cl)Cl ACT01313 [0,2,0,0,0,0|2,0,0]=4 418 B9R1.34 c1c(cc(nc1N)N)Br ACT09551 [0,2,0,0,0,0|2,0,0]=4 419 B5R1.1 c1cc[nH]c1 ACT06585 [1,0,0,0,1,0|1,0,0]=3