0 B7R1.4 CC1C(=O)CCS1 ACT06593 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.4 Cc1c(cco1)S ACT06377 [0,0,0,0,0,0|2,1,0]=3 2 B7R1.4 Cc1ccnn1C ACT04243 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.4 Cc1ccsc1Br ACT02266 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.4 Cc1cscc1Br ACT08579 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.4 c1csc(c1Br)Br ACT11602 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 Cc1[nH]cnn1 ACT04542 [1,0,0,0,0,0|2,0,0]=3 7 B6R1.2 Cc1[nH]nnn1 ACT08262 [1,0,0,0,0,0|3,0,0]=4 8 B6R1.2 Cc1c[nH]nc1 ACT08853 [1,0,0,0,0,0|2,0,0]=3 9 B6R1.2 Cc1cc[nH]c1 ACT05027 [1,0,0,0,0,0|1,0,1]=3 10 B6R1.2 Cc1cc[nH]n1 ACT05681 [1,0,0,0,0,0|2,0,0]=3 11 B6R1.2 Cc1cc[nH]n1 ACT05681 [1,0,0,0,0,0|2,0,0]=3 12 B6R1.2 Cc1nc[nH]n1 ACT11132 [1,0,0,0,0,0|2,0,0]=3 13 B6R1.2 Cn1cncn1 ACT11875 [1,0,0,0,0,0|2,0,0]=3 14 B6R1.2 c1[nH]nc(n1)Br ACT10148 [1,0,0,0,0,0|3,0,0]=4 15 B6R1.2 c1c(cn[nH]1)Cl ACT05129 [1,0,0,0,0,0|3,0,0]=4 16 B6R1.2 c1c(nc[nH]1)Br ACT02022 [1,0,0,0,0,0|2,0,0]=3 17 B6R1.2 c1cc(oc1)Br ACT11323 [1,0,0,0,0,0|2,1,0]=4 18 B6R1.2 c1cc(sc1)S ACT06594 [1,0,0,0,0,0|2,0,0]=3 19 B6R1.2 c1cnc([nH]1)N ACT02001 [1,0,0,0,0,0|3,0,0]=4 20 B6R1.2 c1cscc1Br ACT10486 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.11 Cc1c([nH]cn1)CO ACT08028 [0,1,0,0,0,0|1,0,0]=2 22 B8R1.11 Cn1ccnc1CO ACT04493 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.11 c1csc(c1N)C#N ACT09861 [0,1,0,0,0,0|2,0,1]=4 24 B8R1.18 Cc1c(cn(n1)C)Cl ACT09049 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.18 Cc1c(cn(n1)C)N ACT11123 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.18 Cc1c(oc(=O)o1)C ACT08015 [0,1,0,0,0,0|1,1,0]=3 27 B8R1.18 Cc1cc(c(o1)C)S ACT06481 [0,1,0,0,0,0|2,1,0]=4 28 B8R1.18 Cc1cc(n(n1)C)O ACT09803 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.18 c1(c(nc([nH]1)Br)Br)Br ACT07502 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.4 Cc1cc(ccn1)N ACT01463 [0,0,0,0,0,1|2,0,0]=3 31 B8R1.4 Cc1cccc(c1)I ACT05470 [0,0,0,0,0,1|3,0,0]=4 32 B8R1.4 Cc1cccc(n1)Br ACT01537 [0,0,0,0,0,1|3,0,0]=4 33 B8R1.4 Cc1cccc(n1)Cl ACT01505 [0,0,0,0,0,1|3,0,0]=4 34 B8R1.4 Cc1cccc(n1)N ACT01440 [0,0,0,0,0,1|3,0,0]=4 35 B8R1.4 Cc1cccc(n1)O ACT06907 [0,0,0,0,0,1|3,0,0]=4 36 B8R1.4 Cc1ccnc(c1)Br ACT04704 [0,0,0,0,0,1|2,0,0]=3 37 B8R1.4 Cc1ccnc(c1)Cl ACT05469 [0,0,0,0,0,1|2,0,0]=3 38 B8R1.4 Cc1ccnc(c1)N ACT11127 [0,0,0,0,0,1|2,0,0]=3 39 B8R1.4 Cc1ccnc(c1)O ACT08283 [0,0,0,0,0,1|2,0,0]=3 40 B8R1.4 Cc1ccnc(n1)O ACT08959 [0,0,0,0,0,1|2,0,0]=3 41 B8R1.4 c1[nH]c(=O)nc(n1)N ACT11734 [0,0,0,0,0,1|3,0,0]=4 42 B8R1.4 c1c(ncnc1Cl)Cl ACT10415 [0,0,0,0,0,1|3,0,0]=4 43 B8R1.4 c1cnc(cc1Br)Cl ACT01496 [0,0,0,0,0,1|3,0,0]=4 44 B8R1.4 c1cnc(cc1Br)I ACT10965 [0,0,0,0,0,1|3,0,0]=4 45 B8R1.4 c1cnc(cc1Br)N ACT01309 [0,0,0,0,0,1|3,0,0]=4 46 B8R1.4 c1cnc(cc1Cl)Br ACT01352 [0,0,0,0,0,1|3,0,0]=4 47 B8R1.4 c1cnc(cc1Cl)N ACT01317 [0,0,0,0,0,1|3,0,0]=4 48 B8R1.4 c1cnc(cc1Cl)O ACT05243 [0,0,0,0,0,1|3,0,0]=4 49 B8R1.4 c1cnc(cc1I)F ACT07574 [0,0,0,0,0,1|3,0,0]=4 50 B8R1.4 c1cnc(cc1N)Br ACT01351 [0,0,0,0,0,1|3,0,0]=4 51 B8R1.4 c1cnc(cc1O)Cl ACT04603 [0,0,0,0,0,1|3,0,0]=4 52 B8R1.4 c1cnc(cc1O)N ACT01285 [0,0,0,0,0,1|3,0,0]=4 53 B8R1.4 c1cnc(nc1Br)N ACT04459 [0,0,0,0,0,1|3,0,0]=4 54 B8R1.4 c1cnc(nc1Cl)N ACT01381 [0,0,0,0,0,1|3,0,0]=4 55 B8R1.5 Cc1c(cccn1)N ACT01459 [0,0,0,0,0,1|2,0,0]=3 56 B8R1.5 Cc1c(cccn1)N ACT01459 [0,0,0,0,0,1|2,0,0]=3 57 B8R1.5 Cc1c(cccn1)O ACT01461 [0,0,0,0,0,1|2,0,0]=3 58 B8R1.5 Cc1ccc[nH]c1=O ACT01511 [0,0,0,0,0,1|2,0,1]=4 59 B8R1.5 Cc1ccccc1I ACT05468 [0,0,0,0,0,1|3,0,0]=4 60 B8R1.5 Cc1cccnc1Br ACT06975 [0,0,0,0,0,1|2,0,0]=3 61 B8R1.5 Cc1cccnc1N ACT04697 [0,0,0,0,0,1|2,0,0]=3 62 B8R1.5 Cc1ccncc1N ACT01358 [0,0,0,0,0,1|2,0,0]=3 63 B8R1.5 Cc1cnccc1N ACT01603 [0,0,0,0,0,1|2,0,0]=3 64 B8R1.5 c1cc(c(nc1)Br)N ACT03644 [0,0,0,0,0,1|3,0,0]=4 65 B8R1.5 c1cc(c(nc1)Cl)Br ACT01362 [0,0,0,0,0,1|3,0,0]=4 66 B8R1.5 c1cc(c(nc1)Cl)F ACT01345 [0,0,0,0,0,1|3,0,0]=4 67 B8R1.5 c1cc(c(nc1)Cl)I ACT01479 [0,0,0,0,0,1|3,0,0]=4 68 B8R1.5 c1cc(c(nc1)F)I ACT01260 [0,0,0,0,0,1|3,0,0]=4 69 B8R1.5 c1cc(c(nc1)F)O ACT07366 [0,0,0,0,0,1|3,0,0]=4 70 B8R1.5 c1cc(c(nc1)I)F ACT04430 [0,0,0,0,0,1|3,0,0]=4 71 B8R1.5 c1cc(c(nc1)I)O ACT11077 [0,0,0,0,0,1|3,0,0]=4 72 B8R1.5 c1cc(c(nc1)N)I ACT11375 [0,0,0,0,0,1|3,0,0]=4 73 B8R1.5 c1cc(c(nc1)N)N ACT01388 [0,0,0,0,0,1|3,0,0]=4 74 B8R1.5 c1cc(c(nc1)O)Cl ACT04473 [0,0,0,0,0,1|3,0,0]=4 75 B8R1.5 c1cc(c(nc1)O)N ACT01552 [0,0,0,0,0,1|3,0,0]=4 76 B8R1.5 c1cncc(c1Cl)Cl ACT11396 [0,0,0,0,0,1|3,0,0]=4 77 B8R1.5 c1cncc(c1I)Cl ACT11376 [0,0,0,0,0,1|3,0,0]=4 78 B8R1.5 c1cncc(c1I)F ACT11381 [0,0,0,0,0,1|3,0,0]=4 79 B8R1.5 c1cncc(c1N)Br ACT01578 [0,0,0,0,0,1|3,0,0]=4 80 B5R0.1 CC(=CCS)C ACT06408 [1,0,1,0,0,0|1,0,1]=4 81 B5R0.5 CC(=O)C(=O)C ACT06100 [1,0,1,0,0,0|1,1,0]=4 82 B5R0.5 CC(C(=O)C)S ACT06274 [1,0,1,0,0,0|1,0,1]=4 83 B5R1.1 c1cc[nH]c1 ACT06585 [2,0,0,0,0,0|1,0,1]=4 84 B7R1.1 C#Cc1cccs1 ACT09722 [1,1,0,0,0,0|1,0,1]=4 85 B7R1.1 C#Cc1ccsc1 ACT10036 [1,1,0,0,0,0|1,0,1]=4 86 B7R1.1 CCc1ccco1 ACT06582 [1,1,0,0,0,0|1,1,0]=4 87 B7R1.1 CCc1ccsc1 ACT11601 [1,1,0,0,0,0|1,0,0]=3 88 B7R1.1 CCn1ccnc1 ACT08635 [1,1,0,0,0,0|2,0,0]=4 89 B7R1.1 COc1cccs1 ACT11607 [1,1,0,0,0,0|1,0,0]=3 90 B7R1.1 COc1ccsc1 ACT11613 [1,1,0,0,0,0|1,0,0]=3 91 B7R1.1 c1c(nc[nH]1)C#N ACT08386 [1,1,0,0,0,0|1,0,1]=4 92 B7R1.1 c1c(nc[nH]1)C=O ACT02030 [1,1,0,0,0,0|1,0,1]=4 93 B7R1.1 c1cc(oc1)CO ACT06575 [1,1,0,0,0,0|1,1,0]=4 94 B7R1.1 c1cc(oc1)CS ACT06272 [1,1,0,0,0,0|1,1,0]=4 95 B7R1.1 c1cscc1C=O ACT02286 [1,1,0,0,0,0|1,0,1]=4 96 B7R1.1 c1cscc1CBr ACT02290 [1,1,0,0,0,0|1,0,0]=3 97 B7R1.1 c1cscc1CO ACT10114 [1,1,0,0,0,0|1,0,0]=3 98 B7R1.2 Cc1cc(no1)N ACT07207 [1,1,0,0,0,0|2,0,0]=4 99 B7R1.2 Cc1cc(on1)C ACT07874 [1,1,0,0,0,0|2,0,0]=4 100 B7R1.2 Cc1ccc(o1)C ACT06577 [1,1,0,0,0,0|1,1,0]=4 101 B7R1.2 Cc1cnc(s1)Br ACT11264 [1,1,0,0,0,0|0,0,0]=2 102 B7R1.2 Cc1cnc(s1)N ACT05626 [1,1,0,0,0,0|0,0,0]=2 103 B7R1.2 c1c(sc(n1)Br)Br ACT02326 [1,1,0,0,0,0|1,0,0]=3 104 B7R1.2 c1c(sc(n1)N)Br ACT02313 [1,1,0,0,0,0|1,0,0]=3 105 B7R1.2 c1c(sc(n1)N)Br ACT04936 [1,1,0,0,0,0|1,0,0]=3 106 B9R1.2 COc1cc(ccn1)Br ACT01471 [0,1,0,0,0,1|2,0,0]=4 107 B9R1.2 COc1ccnc(c1)N ACT04461 [0,1,0,0,0,1|2,0,0]=4 108 B9R1.2 Cc1cccc(n1)CO ACT07360 [0,1,0,0,0,1|2,0,0]=4 109 B9R1.2 Cc1ccnc(c1)C#N ACT03484 [0,1,0,0,0,1|1,0,1]=4 110 B9R1.2 c1c(ncnc1Cl)CO ACT11876 [0,1,0,0,0,1|2,0,0]=4 111 B9R1.2 c1cnc(cc1CN)Br ACT11159 [0,1,0,0,0,1|2,0,0]=4 112 B9R1.2 c1cnc(cc1CO)Br ACT05523 [0,1,0,0,0,1|2,0,0]=4 113 B9R1.2 c1cnc(cc1Cl)CO ACT04531 [0,1,0,0,0,1|2,0,0]=4 114 B9R1.34 Cc1cc(nc(n1)N)Cl ACT01430 [0,1,0,0,0,1|2,0,0]=4 115 B9R1.34 Cc1nc(cc(n1)Cl)Cl ACT06398 [0,1,0,0,0,1|2,0,0]=4 116 B9R1.34 Cc1nc(cc(n1)O)O ACT01596 [0,1,0,0,0,1|2,0,0]=4 117 B9R1.34 Cc1nc(cc(n1)O)O ACT09111 [0,1,0,0,0,1|2,0,0]=4 118 B9R1.15 COc1c(cccn1)I ACT04432 [0,1,0,0,0,1|2,0,0]=4 119 B9R1.15 COc1c(cccn1)N ACT07498 [0,1,0,0,0,1|2,0,0]=4 120 B9R1.15 COc1c(nccn1)Cl ACT10814 [0,1,0,0,0,1|2,0,0]=4 121 B9R1.15 CSc1c(cccn1)Br ACT04436 [0,1,0,0,0,1|2,0,0]=4 122 B9R1.15 Cc1c(nccn1)SC ACT06616 [0,1,0,0,0,1|1,0,0]=3 123 B9R1.15 Cc1cccnc1C#N ACT11034 [0,1,0,0,0,1|1,0,1]=4 124 B9R1.15 c1cc(c(nc1)Cl)CN ACT10471 [0,1,0,0,0,1|2,0,0]=4 125 B9R1.15 c1cc(c(nc1)Cl)CO ACT01477 [0,1,0,0,0,1|2,0,0]=4 126 B9R1.15 c1cc(c(nc1)N)CO ACT04341 [0,1,0,0,0,1|2,0,0]=4 127 B9R1.15 c1cncc(c1Cl)CO ACT07419 [0,1,0,0,0,1|2,0,0]=4 128 B9R1.22 Cn1c(nc(n1)N)SC ACT08942 [0,2,0,0,0,0|2,0,0]=4 129 B9R1.27 Cc1c(c(on1)C)CCl ACT12016 [0,2,0,0,0,0|2,0,0]=4 130 B7R1.3 Cc1cnccn1 ACT06608 [0,0,1,1,0,0|2,0,0]=4