0 B7R1.3 c1c(cncn1)N WX609156 [0,1,0,0,0,0|2,0,0]=3 1 B7R1.3 c1c(cncn1)O WX645041 [0,1,0,0,0,0|2,0,0]=3 2 B7R1.3 c1cc(cnc1)N WX609448 [0,1,0,0,0,0|1,0,0]=2 3 B7R1.3 c1cc(cnc1)O WX649089 [0,1,0,0,0,0|1,0,0]=2 4 B7R1.3 c1cc(nnc1)Br WX637045 [0,1,0,0,0,0|2,0,0]=3 5 B7R1.3 c1cc(nnc1)Cl WX636063 [0,1,0,0,0,0|2,0,0]=3 6 B7R1.3 c1cc(nnc1)N WX609159 [0,1,0,0,0,0|2,0,0]=3 7 B7R1.3 c1ccc(cc1)O WX645078 [0,1,0,0,0,0|2,0,0]=3 8 B7R1.3 c1ccnc(c1)O WX649094 [0,1,0,0,0,0|1,0,0]=2 9 B7R1.3 c1cnc(cn1)Cl WX636237 [0,1,0,0,0,0|0,0,0]=1 10 B7R1.3 c1cnc(cn1)N WX609446 [0,1,0,0,0,0|0,0,0]=1 11 B7R1.3 c1cnc(nc1)Cl WX636235 [0,1,0,0,0,0|2,0,0]=3 12 B7R1.3 c1cnc(nc1)O WX649101 [0,1,0,0,0,0|2,0,0]=3 13 B7R1.3 c1cnccc1O WX649100 [0,1,0,0,0,0|1,0,0]=2 14 B7R1.3 c1cncnc1Cl WX636060 [0,1,0,0,0,0|2,0,0]=3 15 B7R1.3 c1cncnc1Cl WX636232 [0,1,0,0,0,0|2,0,0]=3 16 B7R1.3 c1cncnc1N WX609259 [0,1,0,0,0,0|2,0,0]=3 17 B7R1.3 c1cncnc1O WX649099 [0,1,0,0,0,0|2,0,0]=3 18 B5R1.1 C1C=CCN1 WXC02554 [0,0,0,0,1,0|0,0,3]=4 19 B4R0.2 C(=C\N)/C=O WXC00375 [1,0,1,0,0,0|1,0,1]=4 20 B6R1.2 Cn1cncn1 WX690050 [0,1,0,0,1,0|1,0,0]=3 21 B6R1.2 c1c([nH]cn1)F WX607151 [0,1,0,0,1,0|0,0,1]=3 22 B6R1.2 c1c(cn[nH]1)Br WX637010 [0,1,0,0,1,0|1,0,0]=3 23 B6R1.2 c1c(cn[nH]1)F WX639012 [0,1,0,0,1,0|1,0,0]=3 24 B6R1.2 c1c(cn[nH]1)N WX609205 [0,1,0,0,1,0|1,0,0]=3 25 B6R1.2 c1c(nc[nH]1)F WXC02154 [0,1,0,0,1,0|0,0,1]=3 26 B6R1.2 c1c(nc[nH]1)I WX638027 [0,1,0,0,1,0|0,0,1]=3 27 B6R1.2 c1c(nn[nH]1)Br WX637379 [0,1,0,0,1,0|1,0,1]=4 28 B6R1.2 c1c(scn1)Br WX637038 [0,1,0,0,1,0|1,0,0]=3 29 B6R1.2 c1c[nH]nc1Br WX637314 [0,1,0,0,1,0|1,0,0]=3 30 B6R1.2 c1c[nH]nc1I WX638030 [0,1,0,0,1,0|1,0,0]=3 31 B6R1.2 c1c[nH]nc1N WX609466 [0,1,0,0,1,0|1,0,0]=3 32 B6R1.2 c1cnc([nH]1)Br WX637273 [0,1,0,0,1,0|0,0,1]=3 33 B6R1.2 c1cnc([nH]1)Cl WX636123 [0,1,0,0,1,0|0,0,1]=3 34 B6R1.2 c1cnc([nH]1)I WX638033 [0,1,0,0,1,0|0,0,1]=3 35 B6R1.2 c1coc(n1)N WX609237 [0,1,0,0,1,0|1,0,0]=3 36 B6R1.2 c1conc1N WX609463 [0,1,0,0,1,0|1,0,0]=3 37 B6R1.2 c1csc(n1)Br WX637316 [0,1,0,0,1,0|1,0,0]=3 38 B6R1.2 c1csc(n1)Cl WX636067 [0,1,0,0,1,0|1,0,0]=3 39 B6R1.2 c1nc(sn1)N WX609092 [0,1,0,0,1,0|1,0,0]=3 40 B6R1.2 c1nnc(o1)N WX607009 [0,1,0,0,1,0|2,0,0]=4 41 B6R1.2 c1nnc(s1)Br WX637044 [0,1,0,0,1,0|2,0,0]=4 42 B8R1.2 C=Cc1cccnc1 WX685205 [0,2,0,0,0,0|1,0,0]=3 43 B8R1.2 CNc1cccnc1 WX609454 [0,2,0,0,0,0|1,0,0]=3 44 B8R1.2 CNc1ccncn1 WX606069 [0,2,0,0,0,0|2,0,0]=4 45 B8R1.2 CNc1cnccn1 WX606056 [0,2,0,0,0,0|0,0,0]=2 46 B8R1.2 c1cc(cnc1)CO WX640285 [0,2,0,0,0,0|1,0,0]=3 47 B8R1.2 c1ccnc(c1)CO WX640282 [0,2,0,0,0,0|1,0,0]=3 48 B8R1.2 c1ccnc(c1)NN WXC04165 [0,2,0,0,0,0|1,0,0]=3 49 B8R1.2 c1cnc(cn1)C=O WX624187 [0,2,0,0,0,0|0,0,0]=2 50 B8R1.2 c1cnc(cn1)CN WX603036 [0,2,0,0,0,0|0,0,0]=2 51 B8R1.2 c1cnc(cn1)CO WX640335 [0,2,0,0,0,0|0,0,0]=2 52 B8R1.2 c1cnc(nc1)CCl WX633047 [0,2,0,0,0,0|2,0,0]=4 53 B8R1.2 c1cnc(nc1)CN WX603024 [0,2,0,0,0,0|2,0,0]=4 54 B8R1.2 c1cnc(nc1)CN WX609048 [0,2,0,0,0,0|2,0,0]=4 55 B8R1.2 c1cnc(nc1)CO WX640112 [0,2,0,0,0,0|2,0,0]=4 56 B8R1.2 c1cnc(nc1)CO WXC04758 [0,2,0,0,0,0|2,0,0]=4 57 B8R1.2 c1cnc(nc1)NN WX684208 [0,2,0,0,0,0|2,0,0]=4 58 B8R1.2 c1cnc(nc1)NN WXC03177 [0,2,0,0,0,0|2,0,0]=4 59 B8R1.2 c1cnccc1CO WX640289 [0,2,0,0,0,0|1,0,0]=3 60 B8R1.2 c1cnccc1NN WX684229 [0,2,0,0,0,0|1,0,0]=3 61 B8R1.2 c1cncnc1CO WX640254 [0,2,0,0,0,0|2,0,0]=4 62 B8R1.3 Cc1ccc(cc1)O WX645079 [0,2,0,0,0,0|2,0,0]=4 63 B8R1.3 Cc1ccc(cn1)N WX609427 [0,2,0,0,0,0|1,0,0]=3 64 B8R1.3 Cc1ccc(cn1)O WX649092 [0,2,0,0,0,0|1,0,0]=3 65 B8R1.3 Cc1ccc(nc1)Br WX637311 [0,2,0,0,0,0|1,0,0]=3 66 B8R1.3 Cc1ccc(nc1)O WX649096 [0,2,0,0,0,0|1,0,0]=3 67 B8R1.3 Cc1cnc(cn1)Cl WX636238 [0,2,0,0,0,0|0,0,0]=2 68 B8R1.3 Cc1cnc(cn1)N WX606073 [0,2,0,0,0,0|0,0,0]=2 69 B8R1.3 Cc1cnc(cn1)N WX609221 [0,2,0,0,0,0|0,0,0]=2 70 B8R1.3 Cc1cnc(nc1)O WX645028 [0,2,0,0,0,0|2,0,0]=4 71 B8R1.3 Cc1ncc(cn1)Br WX637043 [0,2,0,0,0,0|2,0,0]=4 72 B8R1.3 c1c(cnc(n1)Cl)Cl WX636236 [0,2,0,0,0,0|2,0,0]=4 73 B8R1.3 c1c(cnc(n1)Cl)N WX609392 [0,2,0,0,0,0|2,0,0]=4 74 B8R1.3 c1c(cnc(n1)Cl)O WX636062 [0,2,0,0,0,0|2,0,0]=4 75 B8R1.3 c1c(ncc(n1)Br)O WX645031 [0,2,0,0,0,0|0,0,0]=2 76 B8R1.3 c1cc(ncc1F)F WX639016 [0,2,0,0,0,0|1,0,0]=3 77 B8R1.3 c1cc(nnc1Cl)I WX638010 [0,2,0,0,0,0|2,0,0]=4 78 B8R1.3 c1cc(nnc1N)Cl WX609406 [0,2,0,0,0,0|2,0,0]=4 79 B8R1.3 c1cc(nnc1N)I WXC01553 [0,2,0,0,0,0|2,0,0]=4 80 B8R1.4 Cc1cc(ccn1)O WX645022 [0,2,0,0,0,0|1,0,0]=3 81 B8R1.4 Cc1cc(cnc1)N WX609450 [0,2,0,0,0,0|1,0,0]=3 82 B8R1.4 Cc1cc(cnc1)O WX649090 [0,2,0,0,0,0|1,0,0]=3 83 B8R1.4 Cc1cc(ncn1)Cl WX636233 [0,2,0,0,0,0|2,0,0]=4 84 B8R1.4 Cc1cc(ncn1)N WX609382 [0,2,0,0,0,0|2,0,0]=4 85 B8R1.4 Cc1cc(ncn1)O WX645020 [0,2,0,0,0,0|2,0,0]=4 86 B8R1.4 Cc1cccc(c1)O WX645080 [0,2,0,0,0,0|2,0,0]=4 87 B8R1.4 Cc1cccc(n1)Br WX637312 [0,2,0,0,0,0|1,0,0]=3 88 B8R1.4 Cc1cccc(n1)O WX649098 [0,2,0,0,0,0|1,0,0]=3 89 B8R1.4 Cc1ccnc(c1)Cl WX636229 [0,2,0,0,0,0|1,0,0]=3 90 B8R1.4 Cc1ccnc(c1)O WX649095 [0,2,0,0,0,0|1,0,0]=3 91 B8R1.4 Cc1ccnc(n1)Cl WX636093 [0,2,0,0,0,0|2,0,0]=4 92 B8R1.4 Cc1ccnc(n1)O WX619017 [0,2,0,0,0,0|2,0,0]=4 93 B8R1.4 Cc1cncc(n1)Cl WX636239 [0,2,0,0,0,0|0,0,0]=2 94 B8R1.4 Cc1cncc(n1)N WX609148 [0,2,0,0,0,0|0,0,0]=2 95 B8R1.4 Cc1nccc(n1)Cl WX636234 [0,2,0,0,0,0|2,0,0]=4 96 B8R1.4 Cc1nccc(n1)N WX606010 [0,2,0,0,0,0|2,0,0]=4 97 B8R1.4 Cc1nccc(n1)O WX645021 [0,2,0,0,0,0|2,0,0]=4 98 B8R1.4 c1c(cn[nH]c1=O)Cl WX636243 [0,2,0,0,0,0|2,0,0]=4 99 B8R1.4 c1c(cncc1F)O WX649045 [0,2,0,0,0,0|1,0,0]=3 100 B8R1.4 c1c(cnnc1Cl)N WX609431 [0,2,0,0,0,0|2,0,0]=4 101 B8R1.4 c1c(nc(cn1)Br)Cl WX637068 [0,2,0,0,0,0|0,0,0]=2 102 B8R1.4 c1cc(=O)[nH]c(c1)Br WX637131 [0,2,0,0,0,0|1,0,1]=4 103 B8R1.4 c1cc(c[n+](c1)[O-])Br WX637015 [0,2,0,0,0,0|1,0,1]=4 104 B8R1.4 c1cc(nc(c1)Br)O WXC02241 [0,2,0,0,0,0|1,0,0]=3 105 B8R1.4 c1cnc(cc1Cl)O WX636064 [0,2,0,0,0,0|1,0,0]=3 106 B8R1.4 c1cnc(cc1F)N WX609167 [0,2,0,0,0,0|1,0,0]=3 107 B8R1.4 c1cnc(cc1I)F WX638043 [0,2,0,0,0,0|1,0,0]=3 108 B8R1.5 Cc1c(cccn1)N WX609161 [0,2,0,0,0,0|1,0,0]=3 109 B8R1.5 Cc1c(cccn1)O WX649093 [0,2,0,0,0,0|1,0,0]=3 110 B8R1.5 Cc1ccccc1O WX645081 [0,2,0,0,0,0|2,0,0]=4 111 B8R1.5 Cc1cccnc1Cl WX636230 [0,2,0,0,0,0|1,0,0]=3 112 B8R1.5 Cc1cccnc1O WX649097 [0,2,0,0,0,0|1,0,0]=3 113 B8R1.5 Cc1ccncc1N WX609452 [0,2,0,0,0,0|1,0,0]=3 114 B8R1.5 Cc1ccncc1O WX649091 [0,2,0,0,0,0|1,0,0]=3 115 B8R1.5 Cc1cnccc1Br WX637039 [0,2,0,0,0,0|1,0,0]=3 116 B8R1.5 Cc1cnccc1Cl WX609160 [0,2,0,0,0,0|1,0,0]=3 117 B8R1.5 Cc1cnccc1O WX645018 [0,2,0,0,0,0|1,0,0]=3 118 B8R1.5 Cc1cncnc1Cl WX636049 [0,2,0,0,0,0|2,0,0]=4 119 B8R1.5 Cc1cncnc1Cl WX636091 [0,2,0,0,0,0|2,0,0]=4 120 B8R1.5 Cc1cncnc1O WX649072 [0,2,0,0,0,0|2,0,0]=4 121 B8R1.5 c1c(c(ncn1)N)Cl WX609456 [0,2,0,0,0,0|2,0,0]=4 122 B8R1.5 c1cc(c(nc1)Br)F WX637049 [0,2,0,0,0,0|1,0,0]=3 123 B8R1.5 c1cc(c(nc1)Cl)I WX636168 [0,2,0,0,0,0|1,0,0]=3 124 B8R1.5 c1cc(c(nc1)F)I WX634015 [0,2,0,0,0,0|1,0,0]=3 125 B8R1.5 c1cc(c(nc1)N)Cl WX609235 [0,2,0,0,0,0|1,0,0]=3 126 B8R1.5 c1cc(c(nc1)N)I WX638018 [0,2,0,0,0,0|1,0,0]=3 127 B8R1.5 c1cnc(c(n1)N)Cl WX609303 [0,2,0,0,0,0|0,0,0]=2 128 B8R1.5 c1cncc(c1Br)F WX637048 [0,2,0,0,0,0|1,0,0]=3 129 B8R1.5 c1cncc(c1Cl)I WX638003 [0,2,0,0,0,0|1,0,0]=3 130 B8R1.5 c1cncc(c1I)N WX609215 [0,2,0,0,0,0|1,0,0]=3 131 B8R1.5 c1cncc(c1N)I WX609341 [0,2,0,0,0,0|1,0,0]=3 132 B8R1.5 c1cncc(c1N)O WX609099 [0,2,0,0,0,0|1,0,0]=3 133 B8R1.5 c1cncc(c1O)N WX609105 [0,2,0,0,0,0|1,0,0]=3