0 B6R1.2 C1=C[CH]C(=C1)Br DA-30508 [0,0,0,0,0,0|3,0,1]=4 1 B6R1.2 CC1=NCON1 DA-27205 [0,0,0,0,0,0|4,0,0]=4 2 B6R1.2 CC1=NNCC1 DA-22085 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 Cc1ccc[nH]1 DA-25958 [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 c1c(=O)[nH]sn1 DA-30345 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 c1c([nH]nn1)N DA-29375 [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 c1c(cn[nH]1)O DA-39326 [0,0,0,0,0,0|1,0,0]=1 7 B6R1.2 c1c(ncs1)I DA-39286 [0,0,0,0,0,0|4,0,0]=4 8 B6R1.2 c1c(ncs1)O DA-38955 [0,0,0,0,0,0|4,0,0]=4 9 B6R1.2 c1c(nsn1)Cl DA-23874 [0,0,0,0,0,0|3,0,0]=3 10 B6R1.2 c1c(scn1)I DA-37263 [0,0,0,0,0,0|3,0,0]=3 11 B6R1.2 c1c(scn1)O DA-36993 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 c1c[nH]cc1Cl DA-23867 [0,0,0,0,0,0|2,0,0]=2 13 B6R1.2 c1cc(oc1)I DA-26085 [0,0,0,0,0,0|4,0,0]=4 14 B6R1.2 c1csnc1Cl DA-23724 [0,0,0,0,0,0|4,0,0]=4 15 B6R1.2 c1csnc1N DA-23477 [0,0,0,0,0,0|4,0,0]=4 16 B6R1.2 c1ncn(n1)N DA-29374 [0,0,0,0,0,0|4,0,0]=4 17 B6R1.2 c1nnc(s1)N DA-30299 [0,0,0,0,0,0|4,0,0]=4 18 B5R1.1 C1N=CNO1 DA-27209 [1,0,0,0,0,0|2,0,1]=4 19 B5R1.1 c1[nH]nnn1 DA-29325 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.1 C1CC=C(C1)CBr DA-30681 [0,1,0,0,0,0|2,0,1]=4 21 B7R1.1 CCc1cscn1 DA-39415 [0,1,0,0,0,0|3,0,0]=4 22 B7R1.1 COn1ccnc1 DA-29266 [0,1,0,0,0,0|2,0,0]=3 23 B7R1.1 CSc1cncs1 DA-38363 [0,1,0,0,0,0|2,0,0]=3 24 B7R1.1 c1c(ocn1)CN DA-38882 [0,1,0,0,0,0|2,0,0]=3 25 B7R1.1 c1c(snn1)C=O DA-30357 [0,1,0,0,0,0|1,0,2]=4 26 B7R1.1 c1cc([nH]c1)CN DA-29370 [0,1,0,0,0,0|3,0,0]=4 27 B7R1.1 c1cnsc1CO DA-33462 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.1 c1cscc1CCl DA-42947 [0,1,0,0,0,0|2,0,0]=3 29 B7R1.1 c1nc([nH]n1)CN DA-29366 [0,1,0,0,0,0|3,0,0]=4 30 B7R1.1 c1nc([nH]n1)CO DA-29372 [0,1,0,0,0,0|3,0,0]=4 31 B7R1.1 c1nnc(s1)CO DA-42309 [0,1,0,0,0,0|3,0,0]=4 32 B7R1.2 CC1=NN=C(C1)N DA-37100 [0,1,0,0,0,0|2,0,1]=4 33 B7R1.2 Cc1c[nH]c(=O)s1 DA-37141 [0,1,0,0,0,0|2,0,0]=3 34 B7R1.2 Cc1cc(cs1)N DA-37078 [0,1,0,0,0,0|3,0,0]=4 35 B7R1.2 Cc1cc(sc1)I DA-26092 [0,1,0,0,0,0|2,0,0]=3 36 B7R1.2 Cc1cc(sn1)I DA-37273 [0,1,0,0,0,0|3,0,0]=4 37 B7R1.2 Cc1ccc(s1)O DA-37079 [0,1,0,0,0,0|3,0,0]=4 38 B7R1.2 Cc1cn(nn1)C DA-30217 [0,1,0,0,0,0|1,0,0]=2 39 B7R1.2 Cc1cnc([nH]1)N DA-37158 [0,1,0,0,0,0|2,0,0]=3 40 B7R1.2 Cn1ccc(c1)N DA-29233 [0,1,0,0,0,0|2,0,0]=3 41 B7R1.2 Cn1ncc(n1)Br DA-43568 [0,1,0,0,0,0|2,0,0]=3 42 B7R1.2 c1c(csc1Br)Cl DA-26854 [0,1,0,0,0,0|3,0,0]=4 43 B7R1.2 c1c(sc(n1)Cl)Cl DA-27213 [0,1,0,0,0,0|3,0,0]=4 44 B7R1.4 Cc1c(=O)[nH]sn1 DA-39175 [0,1,0,0,0,0|2,0,0]=3 45 B7R1.4 Cc1c([nH]cn1)Cl DA-37509 [0,1,0,0,0,0|2,0,0]=3 46 B7R1.4 Cc1c(scn1)Cl DA-37506 [0,1,0,0,0,0|3,0,0]=4 47 B7R1.4 Cc1ccsc1I DA-26100 [0,1,0,0,0,0|2,0,0]=3 48 B7R1.4 Cc1cnoc1C DA-21946 [0,1,0,0,0,0|1,0,0]=2 49 B7R1.4 Cn1c(=O)cns1 DA-25966 [0,1,0,0,0,0|3,0,0]=4 50 B7R1.4 Cn1c(ncn1)I DA-37294 [0,1,0,0,0,0|3,0,0]=4 51 B7R1.4 c1(=O)c(ns[nH]1)Cl DA-39763 [0,1,0,0,0,0|3,0,0]=4 52 B7R1.4 c1c(c(cs1)Br)N DA-23131 [0,1,0,0,0,0|3,0,0]=4 53 B7R1.4 c1c(c(n[nH]1)Cl)N DA-25551 [0,1,0,0,0,0|1,0,0]=2 54 B7R1.4 c1c(c(n[nH]1)Cl)N DA-25552 [0,1,0,0,0,0|1,0,0]=2 55 B7R1.4 c1c[nH]c(c1Br)Br DA-27452 [0,1,0,0,0,0|2,0,0]=3 56 B7R1.4 c1csc(c1N)Br DA-28938 [0,1,0,0,0,0|3,0,0]=4 57 B7R1.4 c1nc(c(s1)Br)Br DA-22086 [0,1,0,0,0,0|3,0,0]=4 58 B7R1.4 c1nc(c(s1)Cl)Cl DA-21975 [0,1,0,0,0,0|3,0,0]=4 59 B5R0.1 CC(=O)CCN DA-21357 [0,0,1,0,0,0|2,0,1]=4 60 B5R0.1 C\C(=C/C=O)\Br DA-32109 [0,0,1,0,0,0|3,0,0]=4 61 B5R0.3 C(=C(C=O)Cl)N DA-24317 [0,0,1,0,0,0|2,0,0]=3 62 B7R1.3 C1C=C(C=CO1)N DA-26180 [0,0,0,0,0,1|3,0,0]=4 63 B7R1.3 c1cnc[nH]c1=O DA-42222 [0,0,0,0,0,1|2,0,0]=3 64 B7R1.3 c1cncnc1Br DA-23128 [0,0,0,0,0,1|2,0,0]=3 65 B7R1.3 c1cncnc1S DA-44516 [0,0,0,0,0,1|2,0,0]=3 66 B7R1.3 c1cnncc1I DA-39287 [0,0,0,0,0,1|1,0,1]=3 67 B6R0.2 CC(=CC(=O)N)N DA-24318 [0,1,1,0,0,0|2,0,0]=4 68 B6R1.4 CC1CNC1=O DA-23380 [0,1,0,0,1,0|0,0,2]=4 69 B8R1.2 CNc1ccnnc1 DA-43581 [0,1,0,0,0,1|0,0,1]=3 70 B8R1.2 c1cnncc1CCl DA-22266 [0,1,0,0,0,1|0,0,1]=3 71 B8R1.3 c1c(ncc(n1)Br)F DA-26790 [0,1,0,0,0,1|2,0,0]=4 72 B8R1.4 Cc1cc(cnn1)Cl DA-41313 [0,1,0,0,0,1|1,0,1]=4 73 B8R1.4 Cc1nccc(n1)I DA-39308 [0,1,0,0,0,1|2,0,0]=4 74 B8R1.4 c1c(cnnc1Cl)O DA-36275 [0,1,0,0,0,1|1,0,1]=4 75 B8R1.5 c1c(c(=O)[nH]cn1)N DA-37981 [0,1,0,0,0,1|1,0,0]=3 76 B8R1.5 c1c[nH]cc(c1=O)N DA-24303 [0,1,0,0,0,1|2,0,0]=4 77 B8R1.5 c1cnnc(c1Cl)N DA-23113 [0,1,0,0,0,1|1,0,1]=4 78 B8R1.1 CCc1cc([nH]n1)N DA-23652 [0,2,0,0,0,0|2,0,0]=4 79 B8R1.1 CCn1cc(nc1)Br DA-21447 [0,2,0,0,0,0|2,0,0]=4 80 B8R1.1 CCn1cc(nc1)I DA-29404 [0,2,0,0,0,0|2,0,0]=4 81 B8R1.1 CCn1cc(nc1)N DA-29430 [0,2,0,0,0,0|2,0,0]=4 82 B8R1.1 Cc1[nH]c(cn1)CBr DA-38453 [0,2,0,0,0,0|2,0,0]=4 83 B8R1.1 Cc1cc(cs1)CO DA-37106 [0,2,0,0,0,0|2,0,0]=4 84 B8R1.1 Cc1cc(n[nH]1)CN DA-37150 [0,2,0,0,0,0|2,0,0]=4 85 B8R1.1 Cc1cc(sc1)OC DA-28915 [0,2,0,0,0,0|2,0,0]=4 86 B8R1.1 Cc1cnc([nH]1)SC DA-37140 [0,2,0,0,0,0|2,0,0]=4 87 B8R1.1 Cc1cnc(o1)CBr DA-27801 [0,2,0,0,0,0|2,0,0]=4 88 B8R1.1 Cc1cnc(s1)CBr DA-43197 [0,2,0,0,0,0|2,0,0]=4 89 B8R1.1 Cc1cnc(s1)CN DA-37119 [0,2,0,0,0,0|2,0,0]=4 90 B8R1.1 Cc1cnc(s1)OC DA-25992 [0,2,0,0,0,0|2,0,0]=4 91 B8R1.1 Cc1cnc(s1)SC DA-37139 [0,2,0,0,0,0|2,0,0]=4 92 B8R1.1 Cn1cc(cn1)C=C DA-42506 [0,2,0,0,0,0|0,0,1]=3 93 B8R1.1 Cn1cc(cn1)CBr DA-22311 [0,2,0,0,0,0|0,0,0]=2 94 B8R1.1 Cn1cc(cn1)CCl DA-22283 [0,2,0,0,0,0|0,0,0]=2 95 B8R1.1 Cn1cc(cn1)CCl DA-44000 [0,2,0,0,0,0|0,0,0]=2 96 B8R1.1 Cn1ccc(c1)C=O DA-29229 [0,2,0,0,0,0|1,0,1]=4 97 B8R1.1 c1c(c[nH]c1C#N)Cl DA-39744 [0,2,0,0,0,0|2,0,0]=4 98 B8R1.1 c1c(c[nH]c1C=O)I DA-39315 [0,2,0,0,0,0|2,0,0]=4 99 B8R1.1 c1c(n[nH]c1N)CO DA-38071 [0,2,0,0,0,0|2,0,0]=4 100 B8R1.8 CC#Cc1cnco1 DA-38828 [0,2,0,0,0,0|2,0,0]=4 101 B8R1.8 CNCc1n[nH]nn1 DA-46717 [0,2,0,0,0,0|2,0,0]=4 102 B8R1.8 COCc1c[nH]nc1 DA-22173 [0,2,0,0,0,0|0,0,0]=2 103 B8R1.8 c1c(scn1)CCO DA-36994 [0,2,0,0,0,0|2,0,0]=4 104 B8R1.11 CCc1c(=O)[nH]sn1 DA-39452 [0,2,0,0,0,0|2,0,0]=4 105 B8R1.11 CCc1c(scn1)C DA-39425 [0,2,0,0,0,0|2,0,0]=4 106 B8R1.11 CCn1cncc1I DA-29397 [0,2,0,0,0,0|2,0,0]=4 107 B8R1.11 Cc1c([nH]cn1)CBr DA-38449 [0,2,0,0,0,0|2,0,0]=4 108 B8R1.11 Cc1c(con1)CCl DA-22273 [0,2,0,0,0,0|1,0,0]=3 109 B8R1.11 Cc1c(ncs1)CO DA-37097 [0,2,0,0,0,0|2,0,0]=4 110 B8R1.11 Cc1c(scn1)CBr DA-38448 [0,2,0,0,0,0|2,0,0]=4 111 B8R1.11 Cc1c(scn1)OC DA-37189 [0,2,0,0,0,0|2,0,0]=4 112 B8R1.11 Cc1c(snn1)CCl DA-38433 [0,2,0,0,0,0|1,0,1]=4 113 B8R1.11 Cc1ccsc1C=C DA-26290 [0,2,0,0,0,0|2,0,0]=4 114 B8R1.11 Cc1ccsc1CBr DA-27814 [0,2,0,0,0,0|2,0,0]=4 115 B8R1.11 Cc1cscc1C=C DA-23675 [0,2,0,0,0,0|2,0,0]=4 116 B8R1.11 Cn1c(ccn1)CCl DA-38442 [0,2,0,0,0,0|2,0,0]=4 117 B8R1.11 Cn1cncc1CCl DA-40666 [0,2,0,0,0,0|2,0,0]=4 118 B8R1.11 c1c(c(n[nH]1)C=O)I DA-39317 [0,2,0,0,0,0|1,0,0]=3 119 B8R1.18 Cc1c(cn(n1)C)I DA-39320 [0,2,0,0,0,0|1,0,0]=3 120 B8R1.18 Cc1c(nc(s1)Br)N DA-26777 [0,2,0,0,0,0|2,0,0]=4 121 B8R1.18 Cc1cc(nn1C)I DA-23532 [0,2,0,0,0,0|2,0,0]=4 122 B8R1.18 Cn1nc(c(n1)Br)Br DA-42888 [0,2,0,0,0,0|2,0,0]=4 123 B8R1.50 Cc1c(c(sn1)Br)Br DA-43522 [0,2,0,0,0,0|2,0,0]=4 124 B8R1.50 Cc1csc(c1Br)C DA-25567 [0,2,0,0,0,0|2,0,0]=4 125 B8R1.50 Cn1c(c(cn1)N)Cl DA-42503 [0,2,0,0,0,0|1,0,0]=3 126 B8R1.50 Cn1c(c(cn1)N)N DA-21999 [0,2,0,0,0,0|1,0,0]=3 127 B8R1.50 c1c(c(c([nH]1)Br)Br)Br DA-27460 [0,2,0,0,0,0|2,0,0]=4