0 B9R1.35 B(c1cc(cs1)C)(O)O WX654055 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 Cc1[nH]cc(n1)C(=O)O WX614001 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.35 Cc1cc([nH]n1)C(=O)O WX614060 [0,0,0,0,0,0|0,0,2]=2 3 B9R1.35 Cc1cc(c[nH]1)C(=O)O WX613080 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.35 Cc1cc(n[nH]1)C(=O)O WX614029 [0,0,0,0,0,0|0,0,0]=0 5 B9R1.35 Cc1cc(no1)C(=O)C WX626024 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.35 Cc1cc(on1)C(=O)O WX614233 [0,0,0,0,0,0|1,0,1]=2 7 B9R1.35 Cc1cc(sc1)C(=O)O WX614259 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 Cc1ccc(o1)C(=O)O WX614194 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 Cc1ccc(s1)C(=O)O WX614260 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.35 Cc1nc(cs1)C(=O)O WX612033 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.35 Cc1nc(on1)C(=O)O WX613732 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.35 Cc1ncc(s1)C(=O)O WX614123 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.35 Cn1cc(cn1)C(=O)O WX614163 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.35 Cn1cc(nc1)C(=O)O WX614252 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.35 Cn1ccc(c1)C(=O)O WX614122 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.35 Cn1ccc(n1)C(=O)O WX614061 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.35 Cn1cnc(n1)C(=O)O WX614362 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.35 c1(nnc(s1)Cl)C(=O)N WX636089 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.35 c1c(c[nH]c1C(=O)O)F WXFS0405 [0,0,0,0,0,0|2,0,1]=3 20 B9R1.35 c1c(c[nH]c1Cl)C(=O)O WX614257 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.35 c1c(nc(s1)Br)C(=O)O WX614040 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.35 c1c(nc(s1)Cl)C(=O)O WXC02298 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.1 C(c1nc([nH]n1)N)O WXC01702 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.1 Cc1[nH]c(cn1)C=O WX624179 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.1 Cc1cc([nH]n1)C=O WX624022 [1,0,0,0,0,0|0,0,2]=3 26 B8R1.1 Cc1cc([nH]n1)CO WX640223 [1,0,0,0,0,0|0,0,3]=4 27 B8R1.1 Cc1cc([nH]n1)CO WX640340 [1,0,0,0,0,0|0,0,3]=4 28 B8R1.1 Cc1cc(no1)C=O WX624054 [1,0,0,0,0,0|1,0,0]=2 29 B8R1.1 Cc1cc(no1)CCl WX630329 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.1 Cc1cc(no1)CN WX603005 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.1 Cc1cc(no1)CO WX640214 [1,0,0,0,0,0|1,0,1]=3 32 B8R1.1 Cc1cc(sc1)C=O WX624184 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.1 Cc1cc(sc1)CO WX640133 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.1 Cc1ccc([nH]1)C=O WX624113 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.1 Cc1ccc(s1)C=O WX624186 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.1 Cc1csc(n1)C=O WX624189 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.1 Cn1cc(cn1)C=O WX624070 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.1 Cn1cc(nc1)CO WX640041 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.1 c1c(sc(n1)C=O)Cl WX624028 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.7 B(c1cc[nH]n1)(O)O WX654038 [1,0,0,0,0,0|1,0,1]=3 41 B8R1.7 CC(=O)c1c[nH]cn1 WX626016 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.7 CC(=O)c1cc[nH]n1 WX626051 [1,0,0,0,0,0|1,0,0]=2 43 B8R1.7 CC(c1cc[nH]n1)N WXC00799 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.7 c1c(cn[nH]1)C(=O)O WX614069 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.7 c1c(con1)C(=O)O WX614066 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.7 c1c(nc[nH]1)C(=O)O WX614057 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.7 c1c(nco1)C(=O)O WX614087 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.7 c1c(ncs1)C(=O)N WX619024 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.7 c1c(nns1)C(=O)O WX613780 [1,0,0,0,0,0|1,0,1]=3 50 B8R1.7 c1c(scn1)C(=O)O WX614255 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.7 c1c[nH]cc1C(=O)O WX614253 [1,0,0,0,0,0|1,0,0]=2 52 B8R1.7 c1c[nH]nc1C(=O)O WX614216 [1,0,0,0,0,0|0,0,0]=1 53 B8R1.7 c1cn[nH]c1C(=O)O WX614248 [1,0,0,0,0,0|0,0,2]=3 54 B8R1.7 c1cnc([nH]1)C(=O)O WX614140 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.7 c1cnn(c1)C(=O)Cl WX616007 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.14 COC(=O)c1cc([nH]c1)Br WX637266 [0,1,0,0,0,0|2,0,0]=3 57 B10R1.14 COC(=O)c1cc([nH]n1)N WX609529 [0,1,0,0,0,0|1,0,0]=2 58 B10R1.14 COC(=O)c1cc([nH]n1)O WX649063 [0,1,0,0,0,0|1,0,0]=2 59 B10R1.14 COC(=O)c1cc(c[nH]1)Br WX637166 [0,1,0,0,0,0|2,0,1]=4 60 B10R1.14 COC(=O)c1cc(c[nH]1)I WX638068 [0,1,0,0,0,0|2,0,1]=4 61 B10R1.14 COC(=O)c1cc(co1)Br WX637394 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.14 COC(=O)c1cc(no1)O WXC00884 [0,1,0,0,0,0|2,0,1]=4 63 B10R1.14 Cc1cc(on1)C(=O)OC WX618482 [0,1,0,0,0,0|1,0,1]=3 64 B10R1.14 Cc1nc(sn1)C(=O)OC WX618520 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.14 Cn1cnc(n1)C(=O)OC WXC00431 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.31 CCn1cc(cn1)C(=O)O WX614385 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.31 COc1cc(on1)C(=O)N WXC00951 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.31 COc1cc(on1)C(=O)O WX613768 [0,1,0,0,0,0|1,0,1]=3 69 B10R1.58 Cc1cc(cn1C)C(=O)O WX614322 [0,1,0,0,0,0|1,0,0]=2 70 B10R1.58 Cc1cc(sc1C)C(=O)O WX614033 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.59 Cc1c(cc(s1)Br)C(=O)O WXC01808 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.59 Cc1c(sc(n1)C)C(=O)O WX614269 [0,1,0,0,0,0|2,0,1]=4 73 B10R1.59 Cn1cc(cc1C(=O)O)F WX613775 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.194 Cc1c(scc1C(=O)O)C WX614379 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.194 Cc1ncc(n1C)C(=O)O WXC00772 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.9 C\C=C(/C)\C=C\C(=O)O WX610042 [0,0,1,0,0,0|2,0,0]=3 77 B10R1.13 CC(=O)c1ccc(cn1)Br WX619067 [0,0,0,0,0,1|3,0,0]=4 78 B10R1.13 CC(=O)c1ccc(nn1)Cl WXC01382 [0,0,0,0,0,1|2,0,1]=4 79 B10R1.13 CC1=CCC(CC1)C(=O)O WX610371 [0,0,0,0,0,1|2,0,1]=4 80 B10R1.13 Cc1ccc(cn1)C(=O)O WX614214 [0,0,0,0,0,1|1,0,1]=3 81 B10R1.13 Cc1ccc(nc1)C(=O)O WX614117 [0,0,0,0,0,1|1,0,0]=2 82 B10R1.13 c1c(cnc(n1)C(=O)O)Br WX614067 [0,0,0,0,0,1|2,0,0]=3 83 B10R1.13 c1c(cnc(n1)C(=O)O)Cl WX614088 [0,0,0,0,0,1|2,0,0]=3 84 B10R1.13 c1cc(ncc1O)C(=O)O WX614146 [0,0,0,0,0,1|2,0,0]=3 85 B10R1.13 c1cc(nnc1C(=O)O)O WX614045 [0,0,0,0,0,1|1,0,1]=3 86 B10R1.54 Cc1cc(no1)CC(=O)O WX613255 [0,0,0,0,0,1|1,0,0]=2 87 B10R1.54 Cc1nc(cs1)CC(=O)O WX613058 [0,0,0,0,0,1|3,0,0]=4 88 B10R1.54 Cc1nc(no1)CC(=O)O WX613733 [0,0,0,0,0,1|2,0,0]=3 89 B10R1.54 Cc1nc(on1)CC(=O)O WX613700 [0,0,0,0,0,1|2,0,1]=4 90 B10R1.54 Cc1nnc(o1)CC(=O)O WX613703 [0,0,0,0,0,1|1,0,1]=3 91 B10R1.54 Cc1nnc(s1)CC(=O)O WX613711 [0,0,0,0,0,1|1,0,1]=3 92 B10R1.54 c1c(cn(n1)CC(=O)O)Cl WX610386 [0,0,0,0,0,1|3,0,0]=4 93 B10R1.113 B(c1cc(cnc1)C)(O)O WX654007 [0,0,0,0,0,1|2,0,1]=4 94 B10R1.113 CC(=O)c1cc(ccn1)Br WXC02208 [0,0,0,0,0,1|3,0,0]=4 95 B10R1.113 CC(=O)c1cc(ccn1)Cl WX636192 [0,0,0,0,0,1|3,0,0]=4 96 B10R1.113 CC(=O)c1cc(cnc1)Br WX637241 [0,0,0,0,0,1|3,0,0]=4 97 B10R1.113 Cc1cc(cnc1)C(=O)N WX619274 [0,0,0,0,0,1|2,0,0]=3 98 B10R1.113 Cc1cc(cnc1)C(=O)O WX614246 [0,0,0,0,0,1|1,0,0]=2 99 B10R1.113 Cc1cccc(n1)C(=O)O WX614192 [0,0,0,0,0,1|3,0,0]=4 100 B10R1.113 Cc1ccnc(c1)C(=N)N WXC03165 [0,0,0,0,0,1|3,0,0]=4 101 B10R1.113 Cc1ccnc(c1)C(=O)O WX614114 [0,0,0,0,0,1|1,0,0]=2 102 B10R1.113 Cc1nccc(n1)C(=O)O WX614004 [0,0,0,0,0,1|2,0,1]=4 103 B10R1.113 c1c(cncc1Cl)C(=O)O WX614059 [0,0,0,0,0,1|2,0,0]=3 104 B10R1.113 c1c(cncc1F)C(=O)N WXC01409 [0,0,0,0,0,1|3,0,0]=4 105 B10R1.113 c1c(cncc1F)C(=O)O WX614202 [0,0,0,0,0,1|2,0,0]=3 106 B10R1.113 c1c(cnnc1Cl)C(=O)O WXC00935 [0,0,0,0,0,1|1,0,1]=3 107 B10R1.113 c1c(nc(cn1)Cl)C(=O)O WX614271 [0,0,0,0,0,1|3,0,0]=4 108 B10R1.113 c1c(ncnc1O)C(=O)O WX614294 [0,0,0,0,0,1|1,0,1]=3 109 B10R1.113 c1cnc(cc1Br)C(=O)O WX614145 [0,0,0,0,0,1|2,0,0]=3 110 B10R1.113 c1cnc(cc1C(=O)O)F WX614285 [0,0,0,0,0,1|2,0,1]=4 111 B7R1.1 CNc1cc[nH]n1 WX606026 [2,0,0,0,0,0|2,0,0]=4 112 B7R1.1 CSc1cc[nH]n1 WXC00642 [2,0,0,0,0,0|2,0,0]=4 113 B7R1.1 c1c(cn[nH]1)C=O WX624203 [2,0,0,0,0,0|2,0,0]=4 114 B7R1.1 c1c(nc[nH]1)C=O WX624178 [2,0,0,0,0,0|2,0,0]=4 115 B7R1.1 c1c[nH]nc1C=O WX624059 [2,0,0,0,0,0|0,0,0]=2 116 B7R1.1 c1c[nH]nc1CN WX603026 [2,0,0,0,0,0|1,0,1]=4 117 B7R1.1 c1c[nH]nc1CN WXC04668 [2,0,0,0,0,0|1,0,1]=4 118 B7R1.1 c1conc1C=O WX624030 [2,0,0,0,0,0|1,0,0]=3 119 B7R1.1 c1csc(n1)C=O WX624188 [2,0,0,0,0,0|2,0,0]=4 120 B7R1.2 Cc1cc([nH]n1)Br WX637077 [2,0,0,0,0,0|1,0,1]=4 121 B7R1.2 Cc1cc(n[nH]1)Br WX637032 [2,0,0,0,0,0|1,0,0]=3 122 B7R1.2 Cc1cc(n[nH]1)N WX609469 [2,0,0,0,0,0|1,0,0]=3 123 B7R1.2 Cc1cc(no1)Br WX637320 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.22 Cc1cc(n(n1)C)C=O WX624210 [1,1,0,0,0,0|0,0,2]=4 125 B9R1.23 Cc1cc(nn1C)NC WX607141 [1,1,0,0,0,0|2,0,0]=4 126 B9R1.132 Cc1csc(c1Cl)C=O WX624068 [1,1,0,0,0,0|2,0,0]=4 127 B9R1.11 COC(=O)c1cc[nH]c1 WX618371 [1,1,0,0,0,0|1,0,0]=3 128 B9R1.11 COC(=O)c1ccc[nH]1 WX618294 [1,1,0,0,0,0|1,0,1]=4 129 B9R1.41 Cc1c(c[nH]n1)C(=O)O WX613012 [1,1,0,0,0,0|2,0,0]=4 130 B9R1.41 Cc1c(cc[nH]1)C(=O)O WX614100 [1,1,0,0,0,0|1,0,0]=3 131 B9R1.41 Cc1c(n[nH]n1)C(=O)O WX613767 [1,1,0,0,0,0|1,0,0]=3 132 B9R1.41 Cc1c(nns1)C(=O)O WX614351 [1,1,0,0,0,0|1,0,1]=4 133 B9R1.41 Cc1c[nH]cc1C(=O)O WX614124 [1,1,0,0,0,0|1,0,0]=3 134 B9R1.41 Cc1cocc1C(=O)O WX613137 [1,1,0,0,0,0|2,0,0]=4 135 B9R1.41 Cc1cscc1C(=O)O WX614279 [1,1,0,0,0,0|2,0,0]=4 136 B9R1.41 Cn1c(ccn1)C(=O)O WX614032 [1,1,0,0,0,0|0,0,2]=4 137 B9R1.41 Cn1ccnc1C(=O)O WX614056 [1,1,0,0,0,0|2,0,0]=4 138 B9R1.41 c1c(c([nH]n1)C(=O)O)Cl WX614249 [1,1,0,0,0,0|0,0,2]=4 139 B9R1.41 c1c(c(cs1)Br)C(=O)O WXC02715 [1,1,0,0,0,0|2,0,0]=4 140 B9R1.41 c1coc(c1Br)C(=O)O WX614376 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.3 CCc1ccc(cn1)C(=O)O WXC00284 [0,1,0,0,0,1|1,0,1]=4 142 B11R1.3 COc1cnc(nc1)C(=O)O WX614312 [0,1,0,0,0,1|1,0,0]=3 143 B11R1.22 COC(=O)c1ccc(cn1)N WX609344 [0,1,0,0,0,1|2,0,0]=4 144 B11R1.22 COC(=O)c1ccc(nn1)Br WX633109 [0,1,0,0,0,1|1,0,1]=4 145 B11R1.22 COC(=O)c1cnc(cn1)Br WX633106 [0,1,0,0,0,1|2,0,0]=4 146 B11R1.22 COC(=O)c1cnc(cn1)N WX609355 [0,1,0,0,0,1|2,0,0]=4 147 B11R1.22 COC(=O)c1ncc(cn1)Cl WX636084 [0,1,0,0,0,1|2,0,0]=4 148 B11R1.22 COC(=O)c1ncc(cn1)F WX618512 [0,1,0,0,0,1|2,0,0]=4 149 B11R1.22 Cc1ccc(cn1)C(=O)OC WX618268 [0,1,0,0,0,1|1,0,1]=4 150 B11R1.22 Cc1ccc(nc1)C(=O)OC WX618024 [0,1,0,0,0,1|1,0,0]=3 151 B11R1.22 Cc1cnc(cn1)C(=O)OC WX618477 [0,1,0,0,0,1|1,0,0]=3 152 B11R1.166 Cc1ccc(c(c1)F)C(=O)O WX612018 [0,1,0,0,0,1|2,0,0]=4 153 B11R1.166 c1c(nc(c(n1)C(=O)O)Cl)Cl WX614383 [0,1,0,0,0,1|2,0,0]=4 154 B11R1.39 Cc1cc(no1)CC(=O)OC WX618377 [0,1,0,0,0,1|1,0,0]=3 155 B11R1.23 COC(=O)c1cc(ccn1)N WX609078 [0,1,0,0,0,1|2,0,0]=4 156 B11R1.23 COC(=O)c1cc(cnc1)Cl WXC01375 [0,1,0,0,0,1|2,0,0]=4 157 B11R1.23 Cc1cc(cnc1)C(=O)OC WX618562 [0,1,0,0,0,1|1,0,0]=3 158 B11R1.74 Cc1cc(cc(n1)C)C(=O)O WX614204 [0,1,0,0,0,1|1,0,1]=4 159 B11R1.74 Cc1cc(nc(c1)C(=O)O)C WX614272 [0,1,0,0,0,1|1,0,0]=3 160 B11R1.74 Cc1nc(cc(n1)O)C(=O)O WX614154 [0,1,0,0,0,1|1,0,1]=4 161 B11R1.159 Cc1c(ncnc1C(=O)O)C WX614375 [0,1,0,0,0,1|0,0,1]=3 162 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O WX614044 [0,1,0,0,0,1|1,0,0]=3 163 B11R1.15 CCOC(=O)c1cc([nH]n1)N WX609158 [0,2,0,0,0,0|1,0,0]=3 164 B11R1.15 CCOC(=O)c1cc([nH]n1)O WX649074 [0,2,0,0,0,0|1,0,0]=3 165 B11R1.15 CCOC(=O)c1nc(on1)C WX618517 [0,2,0,0,0,0|2,0,0]=4 166 B11R1.15 CCOC(=O)c1nnc(s1)C WX614338 [0,2,0,0,0,0|1,0,1]=4 167 B11R1.44 COc1cc(on1)C(=O)OC WXC00886 [0,2,0,0,0,0|1,0,1]=4 168 B11R1.225 Cc1cc(c([nH]1)C)C(=O)OC WXC04289 [0,2,0,0,0,0|1,0,0]=3 169 B11R1.225 Cc1cc(c(s1)Br)C(=O)OC WX637218 [0,2,0,0,0,0|2,0,0]=4 170 B11R1.225 Cc1cc(c(s1)N)C(=O)OC WX609362 [0,2,0,0,0,0|2,0,0]=4 171 B11R1.225 Cc1cc(n(n1)C)C(=O)OC WXC00828 [0,2,0,0,0,0|0,0,2]=4 172 B11R1.865 Cc1c(c(on1)C(=O)OC)N WXC01108 [0,2,0,0,0,0|1,0,1]=4 173 B11R1.175 CC(=O)c1cc(n[nH]1)C(=O)O WXC03213 [0,2,0,0,0,0|0,0,0]=2 174 B9R1.2 Cc1cc(ccn1)C=O WX624158 [1,0,0,0,0,1|1,0,1]=4 175 B9R1.2 Cc1cc(cnc1)CO WX640286 [1,0,0,0,0,1|1,0,1]=4 176 B9R1.2 Cc1ccnc(c1)C=O WX624021 [1,0,0,0,0,1|1,0,0]=3 177 B9R1.2 Cc1cncc(n1)C=O WX624023 [1,0,0,0,0,1|2,0,0]=4 178 B9R1.2 c1c(cncc1Cl)C=O WX624175 [1,0,0,0,0,1|2,0,0]=4 179 B9R1.13 CC(=O)Nc1nc[nH]n1 WX606002 [1,0,0,0,0,1|2,0,0]=4 180 B9R1.13 c1c(cn[nH]1)CC(=O)O WX613220 [1,0,0,0,0,1|2,0,0]=4 181 B9R1.13 c1c[nH]nc1CC(=O)O WX613221 [1,0,0,0,0,1|0,0,0]=2 182 B9R1.13 c1cc(oc1)CC(=O)O WX610351 [1,0,0,0,0,1|2,0,0]=4 183 B11R1.20 c1cc(ncc1Br)CC(=O)O WX613772 [0,0,0,0,0,2|2,0,0]=4 184 B11R1.20 c1cc(ncc1F)CC(=O)O WX613440 [0,0,0,0,0,2|2,0,0]=4 185 B11R1.75 Cc1cc(sc1)CCC(=O)O WX613200 [0,0,0,0,0,2|2,0,0]=4 186 B11R1.75 Cc1nnc(s1)CCC(=O)O WX613712 [0,0,0,0,0,2|1,0,1]=4