0 B6R1.2 CC1CCNC1 WX604072 [0,0,0,0,0,0|1,0,3]=4 1 B6R1.2 CC1CCNC1 WX604545 [0,0,0,0,0,0|1,0,3]=4 2 B6R1.2 Cn1cncn1 WX690050 [0,0,0,0,0,0|3,0,0]=3 3 B6R1.2 c1c([nH]cn1)F WX607151 [0,0,0,0,0,0|3,0,0]=3 4 B6R1.2 c1c(cn[nH]1)Br WX637010 [0,0,0,0,0,0|1,0,0]=1 5 B6R1.2 c1c(cn[nH]1)F WX639012 [0,0,0,0,0,0|1,0,0]=1 6 B6R1.2 c1c(cn[nH]1)N WX609205 [0,0,0,0,0,0|1,0,0]=1 7 B6R1.2 c1c(nc[nH]1)F WXC02154 [0,0,0,0,0,0|3,0,0]=3 8 B6R1.2 c1c(nc[nH]1)I WX638027 [0,0,0,0,0,0|3,0,0]=3 9 B6R1.2 c1c(nn[nH]1)Br WX637379 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.2 c1c(scn1)Br WX637038 [0,0,0,0,0,0|3,0,0]=3 11 B6R1.2 c1c[nH]nc1Br WX637314 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 c1c[nH]nc1I WX638030 [0,0,0,0,0,0|3,0,0]=3 13 B6R1.2 c1c[nH]nc1N WX609466 [0,0,0,0,0,0|3,0,0]=3 14 B6R1.2 c1conc1N WX609463 [0,0,0,0,0,0|4,0,0]=4 15 B6R1.2 c1nc(sn1)N WX609092 [0,0,0,0,0,0|4,0,0]=4 16 B6R1.2 c1nnc(o1)N WX607009 [0,0,0,0,0,0|4,0,0]=4 17 B6R1.2 c1nnc(s1)Br WX637044 [0,0,0,0,0,0|4,0,0]=4 18 B5R1.1 C1C=CCN1 WXC02554 [1,0,0,0,0,0|1,0,1]=3 19 B7R1.1 CCc1c[nH]nc1 WX690051 [0,1,0,0,0,0|0,0,0]=1 20 B7R1.1 CNc1cc[nH]n1 WX606026 [0,1,0,0,0,0|2,0,0]=3 21 B7R1.1 CNc1ccon1 WX606025 [0,1,0,0,0,0|3,0,0]=4 22 B7R1.1 CNc1ccon1 WX606070 [0,1,0,0,0,0|3,0,0]=4 23 B7R1.1 CNc1nncs1 WX607061 [0,1,0,0,0,0|3,0,0]=4 24 B7R1.1 CSc1c[nH]nc1 WXC00643 [0,1,0,0,0,0|0,0,0]=1 25 B7R1.1 CSc1cc[nH]n1 WXC00642 [0,1,0,0,0,0|2,0,0]=3 26 B7R1.1 c1c([nH]cn1)C#N WXC03632 [0,1,0,0,0,0|2,0,1]=4 27 B7R1.1 c1c([nH]cn1)CO WX640062 [0,1,0,0,0,0|2,0,0]=3 28 B7R1.1 c1c(cn[nH]1)C=O WX624203 [0,1,0,0,0,0|0,0,1]=2 29 B7R1.1 c1c(cn[nH]1)CO WX640336 [0,1,0,0,0,0|0,0,0]=1 30 B7R1.1 c1c(nc[nH]1)C#N WX683502 [0,1,0,0,0,0|2,0,1]=4 31 B7R1.1 c1c(nc[nH]1)C=O WX624178 [0,1,0,0,0,0|2,0,1]=4 32 B7R1.1 c1c(nc[nH]1)CN WX603089 [0,1,0,0,0,0|2,0,0]=3 33 B7R1.1 c1c(nc[nH]1)CO WX640292 [0,1,0,0,0,0|2,0,0]=3 34 B7R1.1 c1c(nco1)CO WX640327 [0,1,0,0,0,0|3,0,0]=4 35 B7R1.1 c1c(ncs1)CN WX603101 [0,1,0,0,0,0|3,0,0]=4 36 B7R1.1 c1c(nns1)CO WX641097 [0,1,0,0,0,0|2,0,0]=3 37 B7R1.1 c1c(ocn1)CO WX640330 [0,1,0,0,0,0|2,0,0]=3 38 B7R1.1 c1c(scn1)C=O WX624055 [0,1,0,0,0,0|2,0,1]=4 39 B7R1.1 c1c(scn1)CCl WXC04167 [0,1,0,0,0,0|2,0,0]=3 40 B7R1.1 c1c(scn1)CN WX609040 [0,1,0,0,0,0|2,0,0]=3 41 B7R1.1 c1c[nH]nc1C=O WX624059 [0,1,0,0,0,0|2,0,1]=4 42 B7R1.1 c1c[nH]nc1CN WX603026 [0,1,0,0,0,0|2,0,0]=3 43 B7R1.1 c1c[nH]nc1CN WXC04668 [0,1,0,0,0,0|2,0,0]=3 44 B7R1.1 c1cc(sc1)CO WX640288 [0,1,0,0,0,0|3,0,0]=4 45 B7R1.1 c1cnoc1CBr WX630186 [0,1,0,0,0,0|2,0,0]=3 46 B7R1.1 c1cnoc1CN WX603009 [0,1,0,0,0,0|2,0,0]=3 47 B7R1.1 c1conc1CBr WX630236 [0,1,0,0,0,0|3,0,0]=4 48 B7R1.1 c1conc1CN WX603172 [0,1,0,0,0,0|3,0,0]=4 49 B7R1.2 Cc1[nH]cc(n1)Br WX637072 [0,1,0,0,0,0|3,0,0]=4 50 B7R1.2 Cc1[nH]cc(n1)I WXC02628 [0,1,0,0,0,0|3,0,0]=4 51 B7R1.2 Cc1cc([nH]n1)Br WX637077 [0,1,0,0,0,0|2,0,0]=3 52 B7R1.2 Cc1cc(n[nH]1)Br WX637032 [0,1,0,0,0,0|2,0,0]=3 53 B7R1.2 Cc1cc(n[nH]1)N WX609469 [0,1,0,0,0,0|2,0,0]=3 54 B7R1.2 Cc1cc(no1)Br WX637320 [0,1,0,0,0,0|2,0,0]=3 55 B7R1.2 Cc1cc(on1)N WX606001 [0,1,0,0,0,0|3,0,0]=4 56 B7R1.2 Cc1cc(sn1)Br WX637331 [0,1,0,0,0,0|3,0,0]=4 57 B7R1.2 Cc1cn(cn1)C WX690226 [0,1,0,0,0,0|2,0,0]=3 58 B7R1.2 Cc1cnc([nH]1)I WX638055 [0,1,0,0,0,0|2,0,0]=3 59 B7R1.2 Cc1cnc(o1)N WX606013 [0,1,0,0,0,0|2,0,0]=3 60 B7R1.2 Cc1cnc(s1)Br WX637317 [0,1,0,0,0,0|2,0,0]=3 61 B7R1.2 Cc1cnc(s1)N WX609460 [0,1,0,0,0,0|2,0,0]=3 62 B7R1.2 Cc1coc(n1)N WX609465 [0,1,0,0,0,0|3,0,0]=4 63 B7R1.2 Cc1csc(n1)Br WX637318 [0,1,0,0,0,0|3,0,0]=4 64 B7R1.2 Cc1csc(n1)Cl WX636051 [0,1,0,0,0,0|3,0,0]=4 65 B7R1.2 Cc1csc(n1)N WX609462 [0,1,0,0,0,0|3,0,0]=4 66 B7R1.2 Cc1nnc(o1)N WX606089 [0,1,0,0,0,0|3,0,0]=4 67 B7R1.2 Cc1nnc(s1)Br WX637004 [0,1,0,0,0,0|3,0,0]=4 68 B7R1.2 Cn1cc(cn1)I WX638028 [0,1,0,0,0,0|1,0,0]=2 69 B7R1.2 Cn1cc(cn1)N WX609216 [0,1,0,0,0,0|1,0,0]=2 70 B7R1.2 Cn1cc(cn1)N WX609487 [0,1,0,0,0,0|1,0,0]=2 71 B7R1.2 Cn1cc(nc1)Br WX637313 [0,1,0,0,0,0|2,0,0]=3 72 B7R1.2 Cn1cc(nc1)I WX638025 [0,1,0,0,0,0|2,0,0]=3 73 B7R1.2 Cn1cc(nc1)N WX609477 [0,1,0,0,0,0|2,0,0]=3 74 B7R1.2 Cn1cc[n+](c1)C WXC04172 [0,1,0,0,0,0|2,0,0]=3 75 B7R1.2 Cn1ccc(n1)Br WX637315 [0,1,0,0,0,0|3,0,0]=4 76 B7R1.2 Cn1ccc(n1)I WX638065 [0,1,0,0,0,0|3,0,0]=4 77 B7R1.2 Cn1ccc(n1)N WX609467 [0,1,0,0,0,0|3,0,0]=4 78 B7R1.2 Cn1cnc(n1)Br WX637399 [0,1,0,0,0,0|3,0,0]=4 79 B7R1.2 Cn1cnc(n1)N WX609394 [0,1,0,0,0,0|3,0,0]=4 80 B7R1.2 Cn1ncc(n1)Br WX637358 [0,1,0,0,0,0|2,0,0]=3 81 B7R1.2 c1c(sc(n1)N)F WX607140 [0,1,0,0,0,0|3,0,0]=4 82 B7R1.4 Cc1c(nc[nH]1)Br WX637071 [0,1,0,0,0,0|2,0,0]=3 83 B7R1.4 Cc1c[nH]nc1Br WX637002 [0,1,0,0,0,0|0,0,0]=1 84 B7R1.4 Cc1c[nH]nc1I WX638015 [0,1,0,0,0,0|0,0,0]=1 85 B7R1.4 Cc1c[nH]nc1N WX609470 [0,1,0,0,0,0|0,0,0]=1 86 B7R1.4 Cc1cn[nH]c1I WX638024 [0,1,0,0,0,0|0,0,0]=1 87 B7R1.4 Cc1conc1N WX609211 [0,1,0,0,0,0|1,0,0]=2 88 B7R1.4 Cn1c(ccn1)Br WX637412 [0,1,0,0,0,0|3,0,0]=4 89 B7R1.4 Cn1c(ccn1)I WX638001 [0,1,0,0,0,0|3,0,0]=4 90 B7R1.4 Cn1c(ccn1)N WX609468 [0,1,0,0,0,0|3,0,0]=4 91 B7R1.4 Cn1c(cnn1)I WX638049 [0,1,0,0,0,0|2,0,1]=4 92 B7R1.4 Cn1c(ncn1)N WX606015 [0,1,0,0,0,0|3,0,0]=4 93 B7R1.4 Cn1c(nnn1)N WX606014 [0,1,0,0,0,0|2,0,1]=4 94 B7R1.4 Cn1ccnc1Br WX637034 [0,1,0,0,0,0|2,0,0]=3 95 B7R1.4 Cn1ccnc1I WX638056 [0,1,0,0,0,0|2,0,0]=3 96 B7R1.4 Cn1cncc1Cl WX636231 [0,1,0,0,0,0|2,0,0]=3 97 B7R1.4 Cn1cncc1I WX638026 [0,1,0,0,0,0|2,0,0]=3 98 B7R1.4 c1(c(nn[nH]1)Br)Br WXC02988 [0,1,0,0,0,0|2,0,0]=3 99 B7R1.4 c1[nH]c(c(n1)F)Br WX637418 [0,1,0,0,0,0|3,0,0]=4 100 B7R1.4 c1c(c([nH]n1)N)Br WX609298 [0,1,0,0,0,0|1,0,0]=2 101 B7R1.4 c1c(c(n[nH]1)N)I WX609331 [0,1,0,0,0,0|1,0,0]=2 102 B5R0.1 CC(=O)CNC WX600212 [0,0,1,0,0,0|2,0,1]=4 103 B5R0.1 CC(=O)\C=N\O WX690228 [0,0,1,0,0,0|2,0,0]=3 104 B5R1.2 C1C(=O)CN1 WXC03556 [0,0,0,0,1,0|1,0,2]=4 105 B5R1.2 CC1CCN1 WX604557 [0,0,0,0,1,0|1,0,2]=4 106 B5R1.2 CC1CNC1 WX604558 [0,0,0,0,1,0|0,0,3]=4 107 B7R1.3 c1c(cncn1)N WX609156 [0,0,0,0,0,1|1,0,1]=3 108 B7R1.3 c1c(cncn1)O WX645041 [0,0,0,0,0,1|1,0,1]=3 109 B7R1.3 c1cc(cnc1)N WX609448 [0,0,0,0,0,1|2,0,0]=3 110 B7R1.3 c1cc(cnc1)O WX649089 [0,0,0,0,0,1|2,0,0]=3 111 B7R1.3 c1cc(nnc1)Br WX637045 [0,0,0,0,0,1|3,0,0]=4 112 B7R1.3 c1cc(nnc1)Cl WX636063 [0,0,0,0,0,1|3,0,0]=4 113 B7R1.3 c1cc(nnc1)N WX609159 [0,0,0,0,0,1|3,0,0]=4 114 B7R1.3 c1ccc(cc1)O WX645078 [0,0,0,0,0,1|3,0,0]=4 115 B7R1.3 c1ccnc(c1)O WX649094 [0,0,0,0,0,1|3,0,0]=4 116 B7R1.3 c1cnc(cn1)Cl WX636237 [0,0,0,0,0,1|2,0,0]=3 117 B7R1.3 c1cnc(cn1)N WX609446 [0,0,0,0,0,1|2,0,0]=3 118 B7R1.3 c1cnccc1O WX649100 [0,0,0,0,0,1|2,0,0]=3 119 B7R1.3 c1cncnc1Cl WX636060 [0,0,0,0,0,1|2,0,0]=3 120 B7R1.3 c1cncnc1Cl WX636232 [0,0,0,0,0,1|2,0,0]=3 121 B7R1.3 c1cncnc1N WX609259 [0,0,0,0,0,1|2,0,0]=3 122 B7R1.3 c1cncnc1O WX649099 [0,0,0,0,0,1|2,0,0]=3 123 B4R0.2 C(=C\N)/C=O WXC00375 [1,0,1,0,0,0|1,0,0]=3 124 B4R0.2 C=CCNN WX684058 [1,0,1,0,0,0|0,0,2]=4 125 B8R1.2 C=Cc1cccnc1 WX685205 [0,1,0,0,0,1|1,0,1]=4 126 B8R1.2 CNc1cccnc1 WX609454 [0,1,0,0,0,1|1,0,0]=3 127 B8R1.2 CNc1ccncn1 WX606069 [0,1,0,0,0,1|1,0,0]=3 128 B8R1.2 CNc1cnccn1 WX606056 [0,1,0,0,0,1|1,0,0]=3 129 B8R1.2 c1cc(cnc1)CO WX640285 [0,1,0,0,0,1|1,0,0]=3 130 B8R1.2 c1ccnc(c1)CO WX640282 [0,1,0,0,0,1|2,0,0]=4 131 B8R1.2 c1cnc(cn1)C=O WX624187 [0,1,0,0,0,1|1,0,1]=4 132 B8R1.2 c1cnc(cn1)CN WX603036 [0,1,0,0,0,1|1,0,0]=3 133 B8R1.2 c1cnc(cn1)CO WX640335 [0,1,0,0,0,1|1,0,0]=3 134 B8R1.2 c1cnccc1CO WX640289 [0,1,0,0,0,1|1,0,0]=3 135 B8R1.2 c1cnccc1NN WX684229 [0,1,0,0,0,1|2,0,0]=4 136 B8R1.2 c1cncnc1CO WX640254 [0,1,0,0,0,1|1,0,0]=3 137 B8R1.3 Cc1ccc(cc1)O WX645079 [0,1,0,0,0,1|2,0,0]=4 138 B8R1.3 Cc1ccc(cn1)N WX609427 [0,1,0,0,0,1|2,0,0]=4 139 B8R1.3 Cc1ccc(cn1)O WX649092 [0,1,0,0,0,1|2,0,0]=4 140 B8R1.3 Cc1ccc(nc1)Br WX637311 [0,1,0,0,0,1|1,0,0]=3 141 B8R1.3 Cc1ccc(nc1)O WX649096 [0,1,0,0,0,1|1,0,0]=3 142 B8R1.3 Cc1cnc(cn1)Cl WX636238 [0,1,0,0,0,1|1,0,0]=3 143 B8R1.3 Cc1cnc(cn1)N WX606073 [0,1,0,0,0,1|1,0,0]=3 144 B8R1.3 Cc1cnc(cn1)N WX609221 [0,1,0,0,0,1|1,0,0]=3 145 B8R1.3 Cc1cnc(nc1)O WX645028 [0,1,0,0,0,1|0,0,1]=3 146 B8R1.3 Cc1ncc(cn1)Br WX637043 [0,1,0,0,0,1|1,0,1]=4 147 B8R1.3 c1c(cnc(n1)Cl)Cl WX636236 [0,1,0,0,0,1|1,0,1]=4 148 B8R1.3 c1c(cnc(n1)Cl)N WX609392 [0,1,0,0,0,1|1,0,1]=4 149 B8R1.3 c1c(cnc(n1)Cl)O WX636062 [0,1,0,0,0,1|1,0,1]=4 150 B8R1.3 c1c(ncc(n1)Br)O WX645031 [0,1,0,0,0,1|2,0,0]=4 151 B8R1.3 c1cc(ncc1F)F WX639016 [0,1,0,0,0,1|2,0,0]=4 152 B8R1.4 Cc1cc(ccn1)O WX645022 [0,1,0,0,0,1|2,0,0]=4 153 B8R1.4 Cc1cc(cnc1)N WX609450 [0,1,0,0,0,1|1,0,0]=3 154 B8R1.4 Cc1cc(cnc1)O WX649090 [0,1,0,0,0,1|1,0,0]=3 155 B8R1.4 Cc1cc(ncn1)Cl WX636233 [0,1,0,0,0,1|1,0,0]=3 156 B8R1.4 Cc1cc(ncn1)N WX609382 [0,1,0,0,0,1|1,0,0]=3 157 B8R1.4 Cc1cc(ncn1)O WX645020 [0,1,0,0,0,1|1,0,0]=3 158 B8R1.4 Cc1cccc(c1)O WX645080 [0,1,0,0,0,1|2,0,0]=4 159 B8R1.4 Cc1cccc(n1)Br WX637312 [0,1,0,0,0,1|2,0,0]=4 160 B8R1.4 Cc1cccc(n1)O WX649098 [0,1,0,0,0,1|2,0,0]=4 161 B8R1.4 Cc1ccnc(c1)Cl WX636229 [0,1,0,0,0,1|1,0,0]=3 162 B8R1.4 Cc1ccnc(c1)O WX649095 [0,1,0,0,0,1|1,0,0]=3 163 B8R1.4 Cc1ccnc(n1)Cl WX636093 [0,1,0,0,0,1|1,0,0]=3 164 B8R1.4 Cc1ccnc(n1)O WX619017 [0,1,0,0,0,1|1,0,0]=3 165 B8R1.4 Cc1cncc(n1)Cl WX636239 [0,1,0,0,0,1|1,0,0]=3 166 B8R1.4 Cc1cncc(n1)N WX609148 [0,1,0,0,0,1|1,0,0]=3 167 B8R1.4 Cc1nccc(n1)Cl WX636234 [0,1,0,0,0,1|2,0,0]=4 168 B8R1.4 Cc1nccc(n1)N WX606010 [0,1,0,0,0,1|2,0,0]=4 169 B8R1.4 Cc1nccc(n1)O WX645021 [0,1,0,0,0,1|2,0,0]=4 170 B8R1.4 c1c(cn[nH]c1=O)Cl WX636243 [0,1,0,0,0,1|1,0,0]=3 171 B8R1.4 c1c(cncc1F)O WX649045 [0,1,0,0,0,1|2,0,0]=4 172 B8R1.4 c1c(cnnc1Cl)N WX609431 [0,1,0,0,0,1|1,0,1]=4 173 B8R1.4 c1c(nc(cn1)Br)Cl WX637068 [0,1,0,0,0,1|2,0,0]=4 174 B8R1.4 c1cnc(cc1Cl)O WX636064 [0,1,0,0,0,1|2,0,0]=4 175 B8R1.4 c1cnc(cc1F)N WX609167 [0,1,0,0,0,1|2,0,0]=4 176 B8R1.4 c1cnc(cc1I)F WX638043 [0,1,0,0,0,1|2,0,0]=4 177 B8R1.5 Cc1c(cccn1)N WX609161 [0,1,0,0,0,1|2,0,0]=4 178 B8R1.5 Cc1c(cccn1)O WX649093 [0,1,0,0,0,1|2,0,0]=4 179 B8R1.5 Cc1ccccc1O WX645081 [0,1,0,0,0,1|2,0,0]=4 180 B8R1.5 Cc1cccnc1Cl WX636230 [0,1,0,0,0,1|1,0,0]=3 181 B8R1.5 Cc1cccnc1O WX649097 [0,1,0,0,0,1|1,0,0]=3 182 B8R1.5 Cc1ccncc1N WX609452 [0,1,0,0,0,1|1,0,0]=3 183 B8R1.5 Cc1ccncc1O WX649091 [0,1,0,0,0,1|1,0,0]=3 184 B8R1.5 Cc1cnccc1Br WX637039 [0,1,0,0,0,1|1,0,0]=3 185 B8R1.5 Cc1cnccc1Cl WX609160 [0,1,0,0,0,1|1,0,0]=3 186 B8R1.5 Cc1cnccc1O WX645018 [0,1,0,0,0,1|1,0,0]=3 187 B8R1.5 Cc1cncnc1Cl WX636049 [0,1,0,0,0,1|0,0,1]=3 188 B8R1.5 Cc1cncnc1Cl WX636091 [0,1,0,0,0,1|0,0,1]=3 189 B8R1.5 Cc1cncnc1O WX649072 [0,1,0,0,0,1|0,0,1]=3 190 B8R1.5 c1c(c(ncn1)N)Cl WX609456 [0,1,0,0,0,1|1,0,1]=4 191 B8R1.5 c1cc(c(nc1)Br)F WX637049 [0,1,0,0,0,1|2,0,0]=4 192 B8R1.5 c1cc(c(nc1)Cl)I WX636168 [0,1,0,0,0,1|2,0,0]=4 193 B8R1.5 c1cc(c(nc1)F)I WX634015 [0,1,0,0,0,1|2,0,0]=4 194 B8R1.5 c1cc(c(nc1)N)Cl WX609235 [0,1,0,0,0,1|2,0,0]=4 195 B8R1.5 c1cc(c(nc1)N)I WX638018 [0,1,0,0,0,1|2,0,0]=4 196 B8R1.5 c1cnc(c(n1)N)Cl WX609303 [0,1,0,0,0,1|2,0,0]=4 197 B8R1.5 c1cncc(c1Br)F WX637048 [0,1,0,0,0,1|2,0,0]=4 198 B8R1.5 c1cncc(c1Cl)I WX638003 [0,1,0,0,0,1|2,0,0]=4 199 B8R1.5 c1cncc(c1I)N WX609215 [0,1,0,0,0,1|2,0,0]=4 200 B8R1.5 c1cncc(c1N)I WX609341 [0,1,0,0,0,1|2,0,0]=4 201 B8R1.5 c1cncc(c1N)O WX609099 [0,1,0,0,0,1|2,0,0]=4 202 B8R1.5 c1cncc(c1O)N WX609105 [0,1,0,0,0,1|2,0,0]=4 203 B8R1.1 CCc1cc(no1)N WX609361 [0,2,0,0,0,0|2,0,0]=4 204 B8R1.1 Cc1[nH]c(cn1)CO WX640040 [0,2,0,0,0,0|2,0,0]=4 205 B8R1.1 Cc1cc([nH]n1)C=O WX624022 [0,2,0,0,0,0|2,0,0]=4 206 B8R1.1 Cc1cc([nH]n1)CO WX640223 [0,2,0,0,0,0|2,0,0]=4 207 B8R1.1 Cc1cc([nH]n1)CO WX640340 [0,2,0,0,0,0|2,0,0]=4 208 B8R1.1 Cc1cc(no1)C=O WX624054 [0,2,0,0,0,0|2,0,0]=4 209 B8R1.1 Cc1cc(no1)CCl WX630329 [0,2,0,0,0,0|2,0,0]=4 210 B8R1.1 Cc1cc(no1)CN WX603005 [0,2,0,0,0,0|2,0,0]=4 211 B8R1.1 Cc1cc(no1)CO WX640214 [0,2,0,0,0,0|2,0,0]=4 212 B8R1.1 Cc1cc(sc1)C=O WX624184 [0,2,0,0,0,0|2,0,0]=4 213 B8R1.1 Cc1cc(sc1)CN WX609034 [0,2,0,0,0,0|2,0,0]=4 214 B8R1.1 Cc1cc(sc1)CO WX640133 [0,2,0,0,0,0|2,0,0]=4 215 B8R1.1 Cc1ncc(s1)CCl WX630056 [0,2,0,0,0,0|2,0,0]=4 216 B8R1.1 Cc1ncc(s1)CN WX609044 [0,2,0,0,0,0|2,0,0]=4 217 B8R1.1 Cc1ncc(s1)CO WX640102 [0,2,0,0,0,0|2,0,0]=4 218 B8R1.1 Cn1cc(cn1)C=O WX624070 [0,2,0,0,0,0|0,0,1]=3 219 B8R1.1 Cn1cc(cn1)CCl WX630248 [0,2,0,0,0,0|0,0,0]=2 220 B8R1.1 Cn1cc(cn1)CO WX640201 [0,2,0,0,0,0|0,0,0]=2 221 B8R1.1 Cn1cc(nc1)CO WX640041 [0,2,0,0,0,0|2,0,0]=4 222 B8R1.1 Cn1ccc(n1)CO WX640316 [0,2,0,0,0,0|2,0,0]=4 223 B8R1.1 c1c(c[nH]c1N)C#N WX609504 [0,2,0,0,0,0|1,0,1]=4 224 B8R1.1 c1c(sc(n1)Cl)CN WX600148 [0,2,0,0,0,0|2,0,0]=4 225 B8R1.7 B(c1c[nH]nc1)(O)O WX654052 [0,2,0,0,0,0|1,0,0]=3 226 B8R1.7 CC(=O)c1c[nH]cn1 WX626016 [0,2,0,0,0,0|2,0,0]=4 227 B8R1.7 CC(=O)c1cc[nH]n1 WX626051 [0,2,0,0,0,0|2,0,0]=4 228 B8R1.7 CC(=O)c1cncs1 WX626015 [0,2,0,0,0,0|2,0,0]=4 229 B8R1.7 CC(c1c[nH]cn1)O WX642070 [0,2,0,0,0,0|2,0,0]=4 230 B8R1.7 CC(c1cc[nH]n1)N WXC00799 [0,2,0,0,0,0|2,0,0]=4 231 B8R1.7 CC(c1cncs1)N WX609041 [0,2,0,0,0,0|2,0,0]=4 232 B8R1.7 c1c(cn[nH]1)C(=O)O WX614069 [0,2,0,0,0,0|0,0,1]=3 233 B8R1.7 c1c(con1)C(=O)O WX614066 [0,2,0,0,0,0|1,0,1]=4 234 B8R1.7 c1c[nH]cc1C(=O)O WX614253 [0,2,0,0,0,0|1,0,1]=4 235 B8R1.8 CNCc1cncs1 WX609042 [0,2,0,0,0,0|2,0,0]=4 236 B8R1.8 c1c(nc[nH]1)CC#N WX683075 [0,2,0,0,0,0|2,0,0]=4 237 B8R1.11 CCn1cnnc1S WX690230 [0,2,0,0,0,0|1,0,1]=4 238 B8R1.11 Cc1c([nH]cn1)C=O WX624181 [0,2,0,0,0,0|2,0,0]=4 239 B8R1.11 Cc1c(c[nH]n1)C=O WX624092 [0,2,0,0,0,0|0,0,1]=3 240 B8R1.11 Cc1c(cno1)CN WX603019 [0,2,0,0,0,0|1,0,0]=3 241 B8R1.11 Cc1c(cno1)CO WX640099 [0,2,0,0,0,0|1,0,0]=3 242 B8R1.11 Cc1c(con1)CN WX603010 [0,2,0,0,0,0|1,0,0]=3 243 B8R1.11 Cc1c(nc[nH]1)CO WX640293 [0,2,0,0,0,0|2,0,0]=4 244 B8R1.11 Cc1c(nns1)CO WX641002 [0,2,0,0,0,0|1,0,1]=4 245 B8R1.11 Cc1c(scn1)CN WX609043 [0,2,0,0,0,0|2,0,0]=4 246 B8R1.11 Cc1c(scn1)CO WXC00854 [0,2,0,0,0,0|2,0,0]=4 247 B8R1.11 Cc1c(snn1)CO WX641001 [0,2,0,0,0,0|1,0,1]=4 248 B8R1.11 Cc1ccsc1CN WX609035 [0,2,0,0,0,0|2,0,0]=4 249 B8R1.11 Cc1ccsc1CO WX640140 [0,2,0,0,0,0|2,0,0]=4 250 B8R1.11 Cc1conc1C=O WX624031 [0,2,0,0,0,0|1,0,0]=3 251 B8R1.11 Cn1c(ccn1)CN WX603006 [0,2,0,0,0,0|2,0,0]=4 252 B8R1.11 Cn1c(ccn1)CO WX640357 [0,2,0,0,0,0|2,0,0]=4 253 B8R1.11 Cn1ccnc1CN WX609047 [0,2,0,0,0,0|2,0,0]=4 254 B8R1.11 Cn1cncc1C=O WX624180 [0,2,0,0,0,0|2,0,0]=4 255 B8R1.11 Cn1cncc1CN WX603044 [0,2,0,0,0,0|2,0,0]=4 256 B8R1.11 Cn1cncc1CO WX640128 [0,2,0,0,0,0|2,0,0]=4 257 B8R1.18 Cc1c(cn(n1)C)Br WX637333 [0,2,0,0,0,0|1,0,0]=3 258 B8R1.18 Cc1c(cn(n1)C)N WX609169 [0,2,0,0,0,0|1,0,0]=3 259 B8R1.18 Cc1c(cn(n1)C)N WX609493 [0,2,0,0,0,0|1,0,0]=3 260 B8R1.18 Cc1c(sc(n1)N)C WX606003 [0,2,0,0,0,0|2,0,0]=4 261 B8R1.18 Cc1cc(n(n1)C)I WX638066 [0,2,0,0,0,0|2,0,0]=4 262 B8R1.18 Cc1cc(nn1C)N WX609107 [0,2,0,0,0,0|2,0,0]=4 263 B8R1.18 Cc1cn(c(n1)Br)C WX637337 [0,2,0,0,0,0|2,0,0]=4 264 B8R1.18 Cc1nc(cn1C)Br WX637065 [0,2,0,0,0,0|2,0,0]=4 265 B8R1.50 CC1=C(COC1=O)O WX685432 [0,2,0,0,0,0|2,0,0]=4 266 B8R1.50 CN1C(=O)CNC1=O WX604660 [0,2,0,0,0,0|2,0,0]=4 267 B8R1.50 Cc1c(c(n[nH]1)N)Br WX609302 [0,2,0,0,0,0|1,0,0]=3 268 B8R1.50 Cc1c(cnn1C)Br WX637332 [0,2,0,0,0,0|1,0,0]=3 269 B8R1.50 Cc1c(cnn1C)I WX638074 [0,2,0,0,0,0|1,0,0]=3 270 B8R1.50 Cc1c(cnn1C)N WX609482 [0,2,0,0,0,0|1,0,0]=3 271 B8R1.50 Cc1c(n(cn1)C)Br WX637338 [0,2,0,0,0,0|2,0,0]=4 272 B8R1.50 Cc1c(onc1N)C WXC03705 [0,2,0,0,0,0|1,0,0]=3 273 B8R1.50 Cc1ncc(n1C)Br WX637066 [0,2,0,0,0,0|2,0,0]=4 274 B8R1.50 Cn1c(c(cn1)Br)N WXC00586 [0,2,0,0,0,0|1,0,0]=3 275 B8R1.50 Cn1c(c(cn1)N)N WXC02229 [0,2,0,0,0,0|1,0,0]=3 276 B8R1.50 Cn1c(c(nn1)Br)Br WX637205 [0,2,0,0,0,0|2,0,0]=4 277 B8R1.50 Cn1cnc(c1Br)Br WX637014 [0,2,0,0,0,0|2,0,0]=4 278 B8R1.50 Cn1cnc(c1Br)F WX637428 [0,2,0,0,0,0|2,0,0]=4