0 B7R1.2 C1=CC(=O)NC1=O ACT09826 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.2 Cc1cc(no1)N ACT07207 [0,0,0,0,0,0|3,0,0]=3 2 B7R1.2 Cc1cc(on1)C ACT07874 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.2 Cc1ccc(o1)C ACT06577 [0,0,0,0,0,0|1,1,0]=2 4 B7R1.2 Cc1cnc(s1)Br ACT11264 [0,0,0,0,0,0|1,0,0]=1 5 B7R1.2 Cc1cnc(s1)N ACT05626 [0,0,0,0,0,0|1,0,0]=1 6 B7R1.2 c1c(sc(n1)Br)Br ACT02326 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.2 c1c(sc(n1)N)Br ACT02313 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.2 c1c(sc(n1)N)Br ACT04936 [0,0,0,0,0,0|2,0,0]=2 9 B6R1.2 Cc1[nH]cnn1 ACT04542 [1,0,0,0,0,0|2,0,0]=3 10 B6R1.2 Cc1[nH]nnn1 ACT08262 [1,0,0,0,0,0|3,0,0]=4 11 B6R1.2 Cc1c[nH]nc1 ACT08853 [1,0,0,0,0,0|2,0,0]=3 12 B6R1.2 Cc1cc[nH]c1 ACT05027 [1,0,0,0,0,0|1,0,1]=3 13 B6R1.2 Cc1cc[nH]n1 ACT05681 [1,0,0,0,0,0|2,0,0]=3 14 B6R1.2 Cc1cc[nH]n1 ACT05681 [1,0,0,0,0,0|2,0,0]=3 15 B6R1.2 Cc1nc[nH]n1 ACT11132 [1,0,0,0,0,0|2,0,0]=3 16 B6R1.2 Cn1cncn1 ACT11875 [1,0,0,0,0,0|2,0,0]=3 17 B6R1.2 c1[nH]nc(n1)Br ACT10148 [1,0,0,0,0,0|3,0,0]=4 18 B6R1.2 c1c(cn[nH]1)Cl ACT05129 [1,0,0,0,0,0|3,0,0]=4 19 B6R1.2 c1c(nc[nH]1)Br ACT02022 [1,0,0,0,0,0|2,0,1]=4 20 B6R1.2 c1cc(oc1)Br ACT11323 [1,0,0,0,0,0|2,1,0]=4 21 B6R1.2 c1cc(sc1)S ACT06594 [1,0,0,0,0,0|2,0,0]=3 22 B6R1.2 c1cnc([nH]1)N ACT02001 [1,0,0,0,0,0|2,0,0]=3 23 B6R1.2 c1cscc1Br ACT10486 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.1 Cc1ccc(o1)C=O ACT06515 [0,1,0,0,0,0|1,1,1]=4 25 B8R1.1 c1c(nc(s1)Br)CO ACT11279 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.1 c1c(sc(n1)Cl)CCl ACT05720 [0,1,0,0,0,0|1,0,0]=2 27 B8R1.1 c1cc(sc1C#N)Br ACT11987 [0,1,0,0,0,0|2,0,1]=4 28 B8R1.1 c1cc(sc1C=O)Br ACT08163 [0,1,0,0,0,0|2,0,1]=4 29 B8R1.18 Cc1c(cn(n1)C)Cl ACT09049 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.18 Cc1c(cn(n1)C)N ACT11123 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.18 Cc1c(oc(=O)o1)C ACT08015 [0,1,0,0,0,0|2,1,0]=4 32 B8R1.18 Cc1cc(c(o1)C)S ACT06481 [0,1,0,0,0,0|1,1,0]=3 33 B8R1.18 Cc1cc(n(n1)C)O ACT09803 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.18 c1(c(nc([nH]1)Br)Br)Br ACT07502 [0,1,0,0,0,0|3,0,0]=4 35 B6R0.1 CC\C=C(/C)\C=O ACT06055 [0,0,1,0,0,0|2,0,1]=4 36 B8R1.3 Cc1ccc(cc1)Cl ACT03438 [0,0,0,0,0,1|3,0,0]=4 37 B8R1.3 Cc1ccc(cc1)I ACT13438 [0,0,0,0,0,1|3,0,0]=4 38 B8R1.3 Cc1ccc(cn1)N ACT04814 [0,0,0,0,0,1|2,0,0]=3 39 B8R1.3 Cc1ccc(cn1)N ACT04814 [0,0,0,0,0,1|2,0,0]=3 40 B8R1.3 Cc1ccc(cn1)O ACT05416 [0,0,0,0,0,1|2,0,0]=3 41 B8R1.3 Cc1ccc(nc1)O ACT03720 [0,0,0,0,0,1|2,0,0]=3 42 B8R1.3 Cc1cnc(cn1)C ACT06610 [0,0,0,0,0,1|1,0,0]=2 43 B8R1.3 Cc1cnc(cn1)N ACT09845 [0,0,0,0,0,1|2,0,0]=3 44 B8R1.3 c1c(cnc(n1)Br)Br ACT01413 [0,0,0,0,0,1|3,0,0]=4 45 B8R1.3 c1c(cnc(n1)Cl)Br ACT01649 [0,0,0,0,0,1|3,0,0]=4 46 B8R1.3 c1c(cnc(n1)Cl)Cl ACT04708 [0,0,0,0,0,1|3,0,0]=4 47 B8R1.3 c1c(cnc(n1)Cl)F ACT01500 [0,0,0,0,0,1|3,0,0]=4 48 B8R1.3 c1c(cnc(n1)Cl)I ACT11316 [0,0,0,0,0,1|3,0,0]=4 49 B8R1.3 c1c(cnc(n1)Cl)O ACT07774 [0,0,0,0,0,1|3,0,0]=4 50 B8R1.3 c1c(cnc(n1)F)Br ACT04711 [0,0,0,0,0,1|3,0,0]=4 51 B8R1.3 c1c(cnc(n1)I)Br ACT01645 [0,0,0,0,0,1|3,0,0]=4 52 B8R1.3 c1c(cnc(n1)I)Cl ACT06628 [0,0,0,0,0,1|3,0,0]=4 53 B8R1.3 c1c(cnc(n1)N)Br ACT01308 [0,0,0,0,0,1|3,0,0]=4 54 B8R1.3 c1c(ncc(n1)Br)N ACT01747 [0,0,0,0,0,1|3,0,0]=4 55 B8R1.3 c1c(ncc(n1)Br)O ACT01749 [0,0,0,0,0,1|3,0,0]=4 56 B8R1.3 c1cc(ncc1Br)Br ACT01379 [0,0,0,0,0,1|3,0,0]=4 57 B8R1.3 c1cc(ncc1Br)Cl ACT07051 [0,0,0,0,0,1|3,0,0]=4 58 B8R1.3 c1cc(ncc1Br)F ACT01646 [0,0,0,0,0,1|3,0,0]=4 59 B8R1.3 c1cc(ncc1Br)I ACT01445 [0,0,0,0,0,1|3,0,0]=4 60 B8R1.3 c1cc(ncc1Br)N ACT01339 [0,0,0,0,0,1|3,0,0]=4 61 B8R1.3 c1cc(ncc1Br)O ACT01650 [0,0,0,0,0,1|3,0,0]=4 62 B8R1.3 c1cc(ncc1Cl)N ACT01437 [0,0,0,0,0,1|3,0,0]=4 63 B8R1.3 c1cc(ncc1F)Cl ACT01499 [0,0,0,0,0,1|3,0,0]=4 64 B8R1.3 c1cc(ncc1I)Cl ACT04468 [0,0,0,0,0,1|3,0,0]=4 65 B8R1.3 c1cc(ncc1I)N ACT01433 [0,0,0,0,0,1|3,0,0]=4 66 B8R1.3 c1cc(ncc1N)Br ACT05519 [0,0,0,0,0,1|3,0,0]=4 67 B8R1.3 c1cc(ncc1N)Cl ACT05515 [0,0,0,0,0,1|3,0,0]=4 68 B8R1.3 c1cc(ncc1N)O ACT04951 [0,0,0,0,0,1|3,0,0]=4 69 B8R1.3 c1cc(ncc1O)Br ACT05329 [0,0,0,0,0,1|3,0,0]=4 70 B8R1.3 c1cc(ncc1O)Cl ACT01291 [0,0,0,0,0,1|3,0,0]=4 71 B8R1.3 c1cc(ncc1O)F ACT01454 [0,0,0,0,0,1|3,0,0]=4 72 B8R1.3 c1cc(ncc1O)N ACT01298 [0,0,0,0,0,1|3,0,0]=4 73 B8R1.4 Cc1cc(ccn1)N ACT01463 [0,0,0,0,0,1|2,0,0]=3 74 B8R1.4 Cc1cc(cnc1)Br ACT06735 [0,0,0,0,0,1|2,0,0]=3 75 B8R1.4 Cc1cc(cnc1)N ACT06734 [0,0,0,0,0,1|2,0,0]=3 76 B8R1.4 Cc1cccc(c1)I ACT05470 [0,0,0,0,0,1|3,0,0]=4 77 B8R1.4 Cc1cccc(n1)Br ACT01537 [0,0,0,0,0,1|3,0,0]=4 78 B8R1.4 Cc1cccc(n1)Cl ACT01505 [0,0,0,0,0,1|3,0,0]=4 79 B8R1.4 Cc1cccc(n1)N ACT01440 [0,0,0,0,0,1|3,0,0]=4 80 B8R1.4 Cc1cccc(n1)O ACT06907 [0,0,0,0,0,1|3,0,0]=4 81 B8R1.4 Cc1ccnc(c1)Br ACT04704 [0,0,0,0,0,1|2,0,0]=3 82 B8R1.4 Cc1ccnc(c1)Cl ACT05469 [0,0,0,0,0,1|2,0,0]=3 83 B8R1.4 Cc1ccnc(c1)N ACT11127 [0,0,0,0,0,1|2,0,0]=3 84 B8R1.4 Cc1ccnc(c1)O ACT08283 [0,0,0,0,0,1|2,0,0]=3 85 B8R1.4 Cc1ccnc(n1)O ACT08959 [0,0,0,0,0,1|2,0,0]=3 86 B8R1.4 Cc1cncc(n1)Cl ACT11347 [0,0,0,0,0,1|2,0,0]=3 87 B8R1.4 Cc1cncc(n1)N ACT11343 [0,0,0,0,0,1|2,0,0]=3 88 B8R1.4 Cc1cncc(n1)O ACT11353 [0,0,0,0,0,1|2,0,0]=3 89 B8R1.4 c1[nH]c(=O)nc(n1)N ACT11734 [0,0,0,0,0,1|3,0,0]=4 90 B8R1.4 c1c(cncc1Br)Br ACT01356 [0,0,0,0,0,1|3,0,0]=4 91 B8R1.4 c1c(cncc1Br)Cl ACT10151 [0,0,0,0,0,1|3,0,0]=4 92 B8R1.4 c1c(cncc1Br)F ACT01290 [0,0,0,0,0,1|3,0,0]=4 93 B8R1.4 c1c(cncc1Br)F ACT01290 [0,0,0,0,0,1|3,0,0]=4 94 B8R1.4 c1c(cncc1Br)N ACT01375 [0,0,0,0,0,1|3,0,0]=4 95 B8R1.4 c1c(cncc1Br)N ACT01375 [0,0,0,0,0,1|3,0,0]=4 96 B8R1.4 c1c(cncc1Br)O ACT10407 [0,0,0,0,0,1|3,0,0]=4 97 B8R1.4 c1c(cncc1Br)O ACT10407 [0,0,0,0,0,1|3,0,0]=4 98 B8R1.4 c1c(cncc1Cl)N ACT11036 [0,0,0,0,0,1|3,0,0]=4 99 B8R1.4 c1c(cncc1Cl)O ACT08732 [0,0,0,0,0,1|3,0,0]=4 100 B8R1.4 c1c(cncc1F)O ACT05333 [0,0,0,0,0,1|3,0,0]=4 101 B8R1.4 c1c(ncnc1Cl)Cl ACT10415 [0,0,0,0,0,1|3,0,0]=4 102 B8R1.4 c1cnc(cc1Br)Cl ACT01496 [0,0,0,0,0,1|3,0,0]=4 103 B8R1.4 c1cnc(cc1Br)I ACT10965 [0,0,0,0,0,1|3,0,0]=4 104 B8R1.4 c1cnc(cc1Br)N ACT01309 [0,0,0,0,0,1|3,0,0]=4 105 B8R1.4 c1cnc(cc1Cl)Br ACT01352 [0,0,0,0,0,1|3,0,0]=4 106 B8R1.4 c1cnc(cc1Cl)N ACT01317 [0,0,0,0,0,1|3,0,0]=4 107 B8R1.4 c1cnc(cc1Cl)O ACT05243 [0,0,0,0,0,1|3,0,0]=4 108 B8R1.4 c1cnc(cc1I)F ACT07574 [0,0,0,0,0,1|3,0,0]=4 109 B8R1.4 c1cnc(cc1N)Br ACT01351 [0,0,0,0,0,1|3,0,0]=4 110 B8R1.4 c1cnc(cc1O)Cl ACT04603 [0,0,0,0,0,1|3,0,0]=4 111 B8R1.4 c1cnc(cc1O)N ACT01285 [0,0,0,0,0,1|3,0,0]=4 112 B8R1.4 c1cnc(nc1Br)N ACT04459 [0,0,0,0,0,1|3,0,0]=4 113 B8R1.4 c1cnc(nc1Cl)N ACT01381 [0,0,0,0,0,1|3,0,0]=4 114 B5R0.1 CCSC(=O)C ACT06390 [1,0,1,0,0,0|1,0,1]=4 115 B5R1.1 c1cc[nH]c1 ACT06585 [2,0,0,0,0,0|1,0,1]=4 116 B7R1.1 C#Cc1cccs1 ACT09722 [1,1,0,0,0,0|1,0,1]=4 117 B7R1.1 CCc1ccco1 ACT06582 [1,1,0,0,0,0|1,1,0]=4 118 B7R1.1 CCc1ccsc1 ACT11601 [1,1,0,0,0,0|2,0,0]=4 119 B7R1.1 CCn1ccnc1 ACT08635 [1,1,0,0,0,0|2,0,0]=4 120 B7R1.1 COc1cccs1 ACT11607 [1,1,0,0,0,0|1,0,0]=3 121 B7R1.1 COc1ccsc1 ACT11613 [1,1,0,0,0,0|2,0,0]=4 122 B7R1.1 c1cc(oc1)CO ACT06575 [1,1,0,0,0,0|1,1,0]=4 123 B7R1.1 c1cc(oc1)CS ACT06272 [1,1,0,0,0,0|1,1,0]=4 124 B7R1.1 c1csc(n1)C#N ACT11268 [1,1,0,0,0,0|0,0,1]=3 125 B7R1.1 c1cscc1CBr ACT02290 [1,1,0,0,0,0|2,0,0]=4 126 B7R1.1 c1cscc1CO ACT10114 [1,1,0,0,0,0|2,0,0]=4 127 B7R1.4 Cc1c(cco1)S ACT06377 [1,1,0,0,0,0|1,1,0]=4 128 B7R1.4 Cc1ccnn1C ACT04243 [1,1,0,0,0,0|2,0,0]=4 129 B7R1.4 Cc1ccsc1Br ACT02266 [1,1,0,0,0,0|2,0,0]=4 130 B7R1.4 Cc1cscc1Br ACT08579 [1,1,0,0,0,0|2,0,0]=4 131 B7R1.4 c1csc(c1Br)Br ACT11602 [1,1,0,0,0,0|2,0,0]=4 132 B9R1.1 COc1ccc(cn1)Br ACT01474 [0,1,0,0,0,1|2,0,0]=4 133 B9R1.1 COc1ccc(cn1)O ACT11358 [0,1,0,0,0,1|2,0,0]=4 134 B9R1.1 COc1cnc(nc1)Cl ACT06635 [0,1,0,0,0,1|2,0,0]=4 135 B9R1.1 COc1ncc(cn1)Br ACT01648 [0,1,0,0,0,1|2,0,0]=4 136 B9R1.1 CSc1cnc(cn1)Br ACT07157 [0,1,0,0,0,1|2,0,0]=4 137 B9R1.1 Cc1ccc(cn1)C=O ACT01664 [0,1,0,0,0,1|1,0,1]=4 138 B9R1.1 c1c(ncc(n1)Cl)CO ACT10135 [0,1,0,0,0,1|2,0,0]=4 139 B9R1.1 c1cc(ncc1CCl)Cl ACT01502 [0,1,0,0,0,1|2,0,0]=4 140 B9R1.1 c1cc(ncc1CO)Br ACT07897 [0,1,0,0,0,1|2,0,0]=4 141 B9R1.1 c1cc(ncc1CO)Cl ACT07560 [0,1,0,0,0,1|2,0,0]=4 142 B9R1.69 Cc1c(cc(cn1)Br)N ACT01458 [0,1,0,0,0,1|2,0,0]=4 143 B9R1.69 Cc1c(cc(cn1)Cl)Cl ACT08046 [0,1,0,0,0,1|2,0,0]=4 144 B9R1.69 Cc1cc(c(nc1)Cl)Br ACT07353 [0,1,0,0,0,1|2,0,0]=4 145 B9R1.69 Cc1cc(c(nc1)Cl)N ACT07938 [0,1,0,0,0,1|2,0,0]=4 146 B9R1.69 Cc1cc(c(nc1)F)Br ACT11332 [0,1,0,0,0,1|2,0,0]=4 147 B9R1.69 Cc1cc(c(nc1)N)Br ACT07158 [0,1,0,0,0,1|2,0,0]=4 148 B9R1.69 Cc1cnc(c(n1)C)C ACT06611 [0,1,0,0,0,1|1,0,0]=3 149 B9R1.2 COc1cc(ccn1)Br ACT01471 [0,1,0,0,0,1|2,0,0]=4 150 B9R1.2 COc1cc(cnc1)Br ACT10406 [0,1,0,0,0,1|2,0,0]=4 151 B9R1.2 COc1ccnc(c1)N ACT04461 [0,1,0,0,0,1|2,0,0]=4 152 B9R1.2 Cc1cccc(n1)CO ACT07360 [0,1,0,0,0,1|2,0,0]=4 153 B9R1.2 Cc1ccnc(c1)C#N ACT03484 [0,1,0,0,0,1|1,0,1]=4 154 B9R1.2 c1c(cncc1Br)CO ACT01585 [0,1,0,0,0,1|2,0,0]=4 155 B9R1.2 c1c(cncc1Cl)CO ACT07609 [0,1,0,0,0,1|2,0,0]=4 156 B9R1.2 c1c(ncnc1Cl)CO ACT11876 [0,1,0,0,0,1|2,0,0]=4 157 B9R1.2 c1cnc(cc1CN)Br ACT11159 [0,1,0,0,0,1|2,0,0]=4 158 B9R1.2 c1cnc(cc1CO)Br ACT05523 [0,1,0,0,0,1|2,0,0]=4 159 B9R1.2 c1cnc(cc1Cl)CO ACT04531 [0,1,0,0,0,1|2,0,0]=4 160 B9R1.34 Cc1cc(nc(n1)N)Cl ACT01430 [0,1,0,0,0,1|2,0,0]=4 161 B9R1.34 Cc1nc(cc(n1)Cl)Cl ACT06398 [0,1,0,0,0,1|2,0,0]=4 162 B9R1.34 Cc1nc(cc(n1)O)O ACT01596 [0,1,0,0,0,1|2,0,0]=4 163 B9R1.34 Cc1nc(cc(n1)O)O ACT09111 [0,1,0,0,0,1|2,0,0]=4 164 B9R1.35 CC(=O)c1ccc(s1)Br ACT09817 [0,2,0,0,0,0|2,0,0]=4 165 B9R1.35 Cc1ccc(o1)C(=O)C ACT06497 [0,2,0,0,0,0|1,1,0]=4 166 B9R1.35 Cc1cnc(s1)C(=O)O ACT11263 [0,2,0,0,0,0|0,0,1]=3 167 B9R1.35 c1c(sc(n1)Br)C(=O)O ACT08284 [0,2,0,0,0,0|1,0,1]=4 168 B9R1.27 Cc1c(c(on1)C)CCl ACT12016 [0,2,0,0,0,0|2,0,0]=4 169 B7R1.3 Cc1cnccn1 ACT06608 [0,0,1,1,0,0|1,0,1]=4 170 B5R0.5 CC(=O)C(=O)C ACT06100 [0,0,1,0,1,0|2,0,0]=4