0 B8R1.18 Cc1c(cn(n1)C)Br WX637333 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.18 Cc1c(cn(n1)C)N WX609169 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.18 Cc1c(cn(n1)C)N WX609493 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.18 Cc1c(sc(n1)N)C WX606003 [0,0,0,0,0,0|1,1,0]=2 4 B8R1.18 Cc1cc(n(n1)C)I WX638066 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.18 Cc1cc(nn1C)N WX609107 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.18 Cc1cn(c(n1)Br)C WX637337 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.18 Cc1nc(cn1C)Br WX637065 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.2 Cc1[nH]cc(n1)Br WX637072 [1,0,0,0,0,0|2,0,0]=3 9 B7R1.2 Cc1[nH]cc(n1)I WXC02628 [1,0,0,0,0,0|2,0,0]=3 10 B7R1.2 Cc1cc([nH]n1)Br WX637077 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.2 Cc1cc(n[nH]1)Br WX637032 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.2 Cc1cc(n[nH]1)N WX609469 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.2 Cc1cc(no1)Br WX637320 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.2 Cc1cc(on1)N WX606001 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.2 Cc1cc(sn1)Br WX637331 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.2 Cc1cn(cn1)C WX690226 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.2 Cc1cnc([nH]1)I WX638055 [1,0,0,0,0,0|2,0,0]=3 18 B7R1.2 Cc1cnc(o1)N WX606013 [1,0,0,0,0,0|1,0,0]=2 19 B7R1.2 Cc1cnc(s1)Br WX637317 [1,0,0,0,0,0|1,1,0]=3 20 B7R1.2 Cc1cnc(s1)N WX609460 [1,0,0,0,0,0|1,1,0]=3 21 B7R1.2 Cc1coc(n1)N WX609465 [1,0,0,0,0,0|1,0,0]=2 22 B7R1.2 Cc1csc(n1)Br WX637318 [1,0,0,0,0,0|1,1,0]=3 23 B7R1.2 Cc1csc(n1)Cl WX636051 [1,0,0,0,0,0|1,1,0]=3 24 B7R1.2 Cc1csc(n1)N WX609462 [1,0,0,0,0,0|1,1,0]=3 25 B7R1.2 Cc1nc(sn1)Br WX637380 [1,0,0,0,0,0|2,1,0]=4 26 B7R1.2 Cc1nc(sn1)N WX609094 [1,0,0,0,0,0|2,1,0]=4 27 B7R1.2 Cc1nnc(o1)N WX606089 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.2 Cc1nnc(s1)Br WX637004 [1,0,0,0,0,0|2,1,0]=4 29 B7R1.2 Cn1cc(cn1)I WX638028 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.2 Cn1cc(cn1)N WX609216 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.2 Cn1cc(cn1)N WX609487 [1,0,0,0,0,0|3,0,0]=4 32 B7R1.2 Cn1cc(nc1)Br WX637313 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.2 Cn1cc(nc1)I WX638025 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.2 Cn1cc(nc1)N WX609477 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.2 Cn1ccc(n1)Br WX637315 [1,0,0,0,0,0|3,0,0]=4 36 B7R1.2 Cn1ccc(n1)I WX638065 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.2 Cn1ccc(n1)N WX609467 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.2 Cn1cnc(n1)Br WX637399 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.2 Cn1cnc(n1)N WX609394 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.2 Cn1ncc(n1)Br WX637358 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.2 c1c(nc(s1)Cl)Cl WX636073 [1,0,0,0,0,0|2,1,0]=4 42 B7R1.2 c1c(sc(n1)N)F WX607140 [1,0,0,0,0,0|2,1,0]=4 43 B7R1.4 Cc1c(nc[nH]1)Br WX637071 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.4 Cc1c[nH]nc1Br WX637002 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.4 Cc1c[nH]nc1I WX638015 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.4 Cc1c[nH]nc1N WX609470 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.4 Cc1conc1N WX609211 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.4 Cn1c(ccn1)Br WX637412 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.4 Cn1c(ccn1)I WX638001 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.4 Cn1c(ccn1)N WX609468 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.4 Cn1c(ncn1)N WX606015 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.4 Cn1ccnc1Br WX637034 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.4 Cn1ccnc1I WX638056 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.4 c1[nH]c(c(n1)F)Br WX637418 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.22 C(c1c(nc(s1)Br)Br)O WX690251 [0,1,0,0,0,0|2,1,0]=4 56 B9R1.22 Cc1c(cn(n1)C)C=O WX624209 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.22 Cc1c(sc(n1)C)C=O WX624192 [0,1,0,0,0,0|0,1,1]=3 58 B9R1.22 Cc1c(sc(n1)C)CN WX603014 [0,1,0,0,0,0|0,1,0]=2 59 B9R1.22 Cc1c(sc(n1)C)CO WX640322 [0,1,0,0,0,0|0,1,0]=2 60 B9R1.22 Cc1cc([nH]c1C=O)C WX624103 [0,1,0,0,0,0|1,0,2]=4 61 B9R1.22 Cc1cc(n(n1)C)C#N WXC00831 [0,1,0,0,0,0|2,0,1]=4 62 B9R1.22 Cc1cc(n(n1)C)C=O WX624210 [0,1,0,0,0,0|2,0,1]=4 63 B9R1.22 Cc1cc(n(n1)C)CCl WX630293 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.22 Cc1cc(n(n1)C)NC WX607142 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.22 Cn1c(cc(n1)N)SC WXC00846 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.22 Cn1cc(c(n1)OC)N WX609507 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.23 Cc1cc(nn1C)NC WX607141 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.23 Cn1c(cc(n1)SC)N WXC01047 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.37 Cc1c(c(c(s1)C)Br)Br WX637187 [0,1,0,0,0,0|2,1,0]=4 70 B9R1.37 Cc1c(n(c(n1)Br)C)Br WX637111 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.34 Cc1cc(cc(=O)o1)Br WXC01361 [0,0,0,0,0,1|3,0,0]=4 72 B9R1.34 Cc1cc(cc(=O)o1)N WXC01362 [0,0,0,0,0,1|3,0,0]=4 73 B9R1.34 Cc1cc(cc(=O)o1)N WXC01476 [0,0,0,0,0,1|3,0,0]=4 74 B9R1.34 Cc1cc(nc(n1)Cl)C WX636211 [0,0,0,0,0,1|2,0,0]=3 75 B9R1.34 Cc1nc(cc(n1)Cl)N WX609424 [0,0,0,0,0,1|3,0,0]=4 76 B9R1.34 Cc1nc(nc(n1)Cl)N WXC01048 [0,0,0,0,0,1|3,0,0]=4 77 B9R1.69 Cc1c(cc(cn1)Br)N WX609484 [0,0,0,0,0,1|3,0,0]=4 78 B9R1.69 Cc1c(ccc(n1)Cl)Br WX637052 [0,0,0,0,0,1|3,0,0]=4 79 B9R1.69 Cc1c(ccc(n1)N)Br WX637051 [0,0,0,0,0,1|3,0,0]=4 80 B9R1.69 Cc1c(cnc(n1)C)O WX649102 [0,0,0,0,0,1|2,0,0]=3 81 B9R1.69 Cc1c(ncc(n1)N)Br WX606019 [0,0,0,0,0,1|3,0,0]=4 82 B9R1.69 Cc1cc(c(nc1)F)I WX638020 [0,0,0,0,0,1|3,0,0]=4 83 B9R1.69 Cc1cc(c(nc1)I)C WX638014 [0,0,0,0,0,1|2,0,0]=3 84 B9R1.69 Cc1cc(cnc1N)O WX609496 [0,0,0,0,0,1|3,0,0]=4 85 B9R1.69 Cc1cc(ncc1Br)Cl WX637053 [0,0,0,0,0,1|3,0,0]=4 86 B9R1.69 Cc1cc(ncc1Br)N WX637054 [0,0,0,0,0,1|3,0,0]=4 87 B9R1.69 Cc1cc(ncc1N)Br WXC01642 [0,0,0,0,0,1|3,0,0]=4 88 B9R1.69 Cc1ccc(c(n1)C)O WX649106 [0,0,0,0,0,1|2,0,0]=3 89 B9R1.69 Cc1cnc(c(n1)N)C WX609371 [0,0,0,0,0,1|2,0,0]=3 90 B9R1.69 Cc1cnc(cc1Br)N WX609326 [0,0,0,0,0,1|3,0,0]=4 91 B9R1.69 Cc1cnc(cc1I)F WX638021 [0,0,0,0,0,1|3,0,0]=4 92 B9R1.69 Cc1cnc(cc1I)N WX638022 [0,0,0,0,0,1|3,0,0]=4 93 B9R1.69 Cc1ncc(c(n1)O)F WX619060 [0,0,0,0,0,1|3,0,0]=4 94 B6R0.3 COC(=O)C(=N)N WX619922 [1,0,1,0,0,0|2,0,0]=4 95 B6R1.2 Cn1cncn1 WX690050 [2,0,0,0,0,0|2,0,0]=4 96 B6R1.2 c1c([nH]cn1)F WX607151 [2,0,0,0,0,0|2,0,0]=4 97 B6R1.2 c1c(nc[nH]1)F WXC02154 [2,0,0,0,0,0|2,0,0]=4 98 B6R1.2 c1c(nc[nH]1)I WX638027 [2,0,0,0,0,0|2,0,0]=4 99 B6R1.2 c1c(scn1)Br WX637038 [2,0,0,0,0,0|1,1,0]=4 100 B6R1.2 c1cnc([nH]1)Br WX637273 [2,0,0,0,0,0|2,0,0]=4 101 B6R1.2 c1cnc([nH]1)Cl WX636123 [2,0,0,0,0,0|2,0,0]=4 102 B6R1.2 c1cnc([nH]1)I WX638033 [2,0,0,0,0,0|2,0,0]=4 103 B6R1.2 c1coc(n1)N WX609237 [2,0,0,0,0,0|1,0,0]=3 104 B6R1.2 c1csc(n1)Br WX637316 [2,0,0,0,0,0|1,1,0]=4 105 B6R1.2 c1csc(n1)Cl WX636067 [2,0,0,0,0,0|1,1,0]=4 106 B6R1.2 c1nnc(o1)N WX607009 [2,0,0,0,0,0|2,0,0]=4 107 B8R1.1 Cc1[nH]c(cn1)C=O WX624179 [1,1,0,0,0,0|1,0,1]=4 108 B8R1.1 Cc1[nH]c(cn1)CO WX640040 [1,1,0,0,0,0|1,0,0]=3 109 B8R1.1 Cc1cc([nH]n1)CO WX640223 [1,1,0,0,0,0|2,0,0]=4 110 B8R1.1 Cc1cc([nH]n1)CO WX640340 [1,1,0,0,0,0|2,0,0]=4 111 B8R1.1 Cc1cc(no1)CCl WX630329 [1,1,0,0,0,0|2,0,0]=4 112 B8R1.1 Cc1cc(no1)CN WX603005 [1,1,0,0,0,0|2,0,0]=4 113 B8R1.1 Cc1cc(no1)CO WX640214 [1,1,0,0,0,0|2,0,0]=4 114 B8R1.1 Cc1cc(sc1)CN WX609034 [1,1,0,0,0,0|1,1,0]=4 115 B8R1.1 Cc1cc(sc1)CO WX640133 [1,1,0,0,0,0|1,1,0]=4 116 B8R1.1 Cc1ccc(s1)CN WX609036 [1,1,0,0,0,0|1,1,0]=4 117 B8R1.1 Cc1ccc(s1)CN WX609532 [1,1,0,0,0,0|1,1,0]=4 118 B8R1.1 Cc1ccc(s1)CO WX640089 [1,1,0,0,0,0|1,1,0]=4 119 B8R1.1 Cc1coc(n1)CN WX600286 [1,1,0,0,0,0|0,0,0]=2 120 B8R1.1 Cc1csc(n1)C=O WX624189 [1,1,0,0,0,0|0,1,1]=4 121 B8R1.1 Cc1nc(cs1)CCl WX630019 [1,1,0,0,0,0|0,1,0]=3 122 B8R1.1 Cc1nc(cs1)CCl WX630294 [1,1,0,0,0,0|0,1,0]=3 123 B8R1.1 Cc1nc(no1)CN WX607090 [1,1,0,0,0,0|1,0,0]=3 124 B8R1.1 Cc1nc(sn1)NC WX607032 [1,1,0,0,0,0|1,1,0]=4 125 B8R1.1 Cc1ncc(s1)CCl WX630056 [1,1,0,0,0,0|0,1,0]=3 126 B8R1.1 Cc1ncc(s1)CN WX609044 [1,1,0,0,0,0|0,1,0]=3 127 B8R1.1 Cc1ncc(s1)CO WX640102 [1,1,0,0,0,0|0,1,0]=3 128 B8R1.1 Cc1nnc(o1)CCl WX630238 [1,1,0,0,0,0|1,0,0]=3 129 B8R1.1 Cc1nnc(s1)NC WX607037 [1,1,0,0,0,0|1,1,0]=4 130 B8R1.1 Cn1cc(cn1)CCl WX630248 [1,1,0,0,0,0|2,0,0]=4 131 B8R1.1 Cn1cc(cn1)CO WX640201 [1,1,0,0,0,0|2,0,0]=4 132 B8R1.1 Cn1cc(nc1)CO WX640041 [1,1,0,0,0,0|2,0,0]=4 133 B8R1.1 Cn1ccc(n1)CO WX640316 [1,1,0,0,0,0|2,0,0]=4 134 B8R1.1 c1c(nc(s1)CBr)Br WX630096 [1,1,0,0,0,0|1,1,0]=4 135 B8R1.1 c1c(nc(s1)CO)Br WX637096 [1,1,0,0,0,0|1,1,0]=4 136 B8R1.1 c1c(sc(n1)Cl)CN WX600148 [1,1,0,0,0,0|1,1,0]=4 137 B8R1.50 Cc1c(n(cn1)C)Br WX637338 [1,1,0,0,0,0|2,0,0]=4 138 B8R1.50 Cc1ncc(n1C)Br WX637066 [1,1,0,0,0,0|2,0,0]=4 139 B8R1.11 Cc1c([nH]cn1)C=O WX624181 [1,1,0,0,0,0|1,0,1]=4 140 B8R1.11 Cc1c(cno1)CN WX603019 [1,1,0,0,0,0|2,0,0]=4 141 B8R1.11 Cc1c(cno1)CO WX640099 [1,1,0,0,0,0|2,0,0]=4 142 B8R1.11 Cc1c(con1)CN WX603010 [1,1,0,0,0,0|2,0,0]=4 143 B8R1.11 Cc1c(nc[nH]1)CO WX640293 [1,1,0,0,0,0|1,0,0]=3 144 B8R1.11 Cc1c(nns1)CO WX641002 [1,1,0,0,0,0|1,1,0]=4 145 B8R1.11 Cc1c(scn1)C=O WX624190 [1,1,0,0,0,0|0,1,1]=4 146 B8R1.11 Cc1c(scn1)CN WX609043 [1,1,0,0,0,0|0,1,0]=3 147 B8R1.11 Cc1c(scn1)CO WXC00854 [1,1,0,0,0,0|0,1,0]=3 148 B8R1.11 Cc1c(snn1)CO WX641001 [1,1,0,0,0,0|1,1,0]=4 149 B8R1.11 Cc1ccsc1CN WX609035 [1,1,0,0,0,0|1,1,0]=4 150 B8R1.11 Cc1ccsc1CO WX640140 [1,1,0,0,0,0|1,1,0]=4 151 B8R1.11 Cn1c(ccn1)CN WX603006 [1,1,0,0,0,0|2,0,0]=4 152 B8R1.11 Cn1c(ccn1)CO WX640357 [1,1,0,0,0,0|2,0,0]=4 153 B8R1.11 Cn1ccnc1CN WX609047 [1,1,0,0,0,0|2,0,0]=4 154 B10R1.8 Cc1cc(nc(n1)SC)Cl WX636007 [0,1,0,0,0,1|2,0,0]=4 155 B10R1.8 Cc1nc(nc(n1)Cl)NC WXC01053 [0,1,0,0,0,1|2,0,0]=4 156 B10R1.22 Cc1c(c(nc(n1)Cl)C)Br WX637090 [0,1,0,0,0,1|2,0,0]=4 157 B10R1.22 Cc1c(c(nc(n1)N)C)Br WX609217 [0,1,0,0,0,1|2,0,0]=4 158 B10R1.22 Cc1c(c(nc(n1)O)C)Br WX637234 [0,1,0,0,0,1|2,0,0]=4 159 B10R1.22 Cc1cc(nc(c1Br)C)C WXC04384 [0,1,0,0,0,1|1,0,0]=3 160 B10R1.25 Cc1c(cnc(n1)Cl)OC WX636248 [0,1,0,0,0,1|2,0,0]=4 161 B10R1.25 Cc1cc(cnc1NC)Br WX637137 [0,1,0,0,0,1|2,0,0]=4 162 B10R1.30 Cc1ccc(c(n1)CO)O WX640367 [0,1,0,0,0,1|2,0,0]=4 163 B10R1.118 Cc1c(nc(c(=O)o1)Cl)Cl WXC02003 [0,1,0,0,0,1|2,0,0]=4 164 B10R1.176 Cc1cc(cnc1C)C#N WX683521 [0,1,0,0,0,1|1,0,1]=4 165 B10R1.176 Cc1ccc(cc1C)CN WX603058 [0,1,0,0,0,1|2,0,0]=4 166 B10R1.176 Cc1ccc(cc1C)CN WX603165 [0,1,0,0,0,1|2,0,0]=4 167 B10R1.32 C(c1c(oc(=O)o1)CBr)Cl WXC01618 [0,2,0,0,0,0|2,0,0]=4 168 B10R1.59 Cc1c(cn(n1)C)C(C)O WX642155 [0,2,0,0,0,0|2,0,0]=4 169 B10R1.59 Cc1c(sc(n1)C)C(=O)O WX614269 [0,2,0,0,0,0|0,1,1]=4 170 B10R1.130 Cc1cc(n(n1)CCBr)C WX630090 [0,2,0,0,0,0|2,0,0]=4 171 B10R1.130 Cc1cc(n(n1)CCN)C WX600115 [0,2,0,0,0,0|2,0,0]=4 172 B10R1.256 Cc1c(c(n(n1)C)C)CN WX603183 [0,2,0,0,0,0|2,0,0]=4 173 B8R1.4 Cc1cccc(n1)O WX649098 [0,0,1,1,0,0|0,0,2]=4 174 B8R1.4 Cc1ccnc(n1)O WX619017 [0,0,1,1,0,0|1,0,1]=4 175 B8R1.5 Cc1c(cccn1)O WX649093 [0,0,1,1,0,0|0,0,2]=4 176 B10R2.2 C1Cc2c(sc(n2)N)C1 WX609531 [0,1,0,1,0,0|1,1,0]=4 177 B8R0.9 C\C=C(/C)\C=C\C(=O)O WX610042 [0,0,1,0,0,1|2,0,0]=4 178 B8R1.3 Cc1ccc(cn1)N WX609427 [1,0,0,0,0,1|2,0,0]=4 179 B8R1.3 Cc1ccc(cn1)O WX649092 [1,0,0,0,0,1|2,0,0]=4 180 B8R1.3 Cc1ccc(nc1)Br WX637311 [1,0,0,0,0,1|2,0,0]=4 181 B8R1.3 Cc1ccc(nc1)O WX649096 [1,0,0,0,0,1|2,0,0]=4 182 B8R1.3 Cc1cnc(cn1)Cl WX636238 [1,0,0,0,0,1|2,0,0]=4 183 B8R1.3 Cc1cnc(cn1)N WX606073 [1,0,0,0,0,1|2,0,0]=4 184 B8R1.3 Cc1cnc(cn1)N WX609221 [1,0,0,0,0,1|2,0,0]=4 185 B8R1.3 Cc1cnc(nc1)O WX645028 [1,0,0,0,0,1|2,0,0]=4 186 B8R1.3 Cc1ncc(cn1)Br WX637043 [1,0,0,0,0,1|2,0,0]=4