0 B14R2.781 CC(=O)c1ccc2ccccc2n1 WX624169 [0,0,0,0,0,0|1,0,0]=1 1 B14R2.781 CC(=O)c1ccc2cnccc2c1 WX626035 [0,0,0,0,0,0|1,0,0]=1 2 B14R2.781 c1cc2c(cc1C(=O)O)nccn2 WX614020 [0,0,0,0,0,0|3,0,0]=3 3 B14R2.781 c1cc2c(cc1[N+](=O)[O-])nccn2 WXC03809 [0,0,0,0,0,0|4,0,0]=4 4 B14R2.781 c1cc2ccc(cc2nc1)C(=O)O WX614017 [0,0,0,0,0,0|2,0,0]=2 5 B14R2.781 c1cc2ccc(cc2nc1)C(F)F WXC01613 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.781 c1cc2cnccc2cc1C(=O)O WX614132 [0,0,0,0,0,0|2,0,0]=2 7 B14R2.781 c1ccc2c(c1)ccc(n2)C(=N)N WXC03162 [0,0,0,0,0,0|3,0,0]=3 8 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O WX614243 [0,0,0,0,0,0|2,0,0]=2 9 B13R2.57 C=Cc1ccc2c(c1)cncn2 WXC01088 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.57 CNc1ccc2ccccc2n1 WX606057 [1,0,0,0,0,0|2,0,0]=3 11 B13R2.57 COc1ccc2ccccc2n1 WXC01536 [1,0,0,0,0,0|2,0,0]=3 12 B13R2.57 c1cc2c(cc1C=O)cncn2 WX622016 [1,0,0,0,0,0|2,0,0]=3 13 B13R2.57 c1cc2c(cc1C=O)nccn2 WX622008 [1,0,0,0,0,0|2,0,0]=3 14 B13R2.57 c1cc2ccc(cc2nc1)C=O WXC01612 [1,0,0,0,0,0|1,0,0]=2 15 B13R2.57 c1ccc2c(c1)cc(cn2)C=O WX624035 [1,0,0,0,0,0|1,0,0]=2 16 B15R2.627 Cc1c2ccccc2ncc1[N+](=O)[O-] WX609959 [0,1,0,0,0,0|3,0,0]=4 17 B15R2.627 c1ccc2c(c1)c(c(cn2)C(=O)O)O WX614034 [0,1,0,0,0,0|2,0,0]=3 18 B15R2.627 c1ccc2c(c1)ccc(c2F)C(=O)O WXC03645 [0,1,0,0,0,0|1,0,0]=2 19 B15R2.627 c1ccn2c(c1)ncc(c2=O)C(=O)O WX614093 [0,1,0,0,0,0|3,0,0]=4 20 B15R2.984 CC(=O)c1cc2ccccc2[nH]c1=O WX614111 [0,1,0,0,0,0|1,0,0]=2 21 B15R2.984 CC(=O)c1cc2ccccc2cc1O WXC01954 [0,1,0,0,0,0|0,0,0]=1 22 B15R2.984 Cc1c(cc2cnccc2n1)C(=O)O WXC03269 [0,1,0,0,0,0|3,0,0]=4 23 B15R2.984 Cc1cc2ccccc2nc1C(=O)O WX614050 [0,1,0,0,0,0|2,0,0]=3 24 B15R2.1601 COC(=O)C1=Cc2ccccc2CC1 WXC01334 [0,1,0,0,0,0|0,0,2]=3 25 B15R2.1601 COC(=O)c1ccc2c(c1)cncn2 WXC01090 [0,1,0,0,0,0|2,0,0]=3 26 B15R2.1601 COC(=O)c1ccc2cccnc2c1 WX618248 [0,1,0,0,0,0|1,0,0]=2 27 B15R2.1601 COC(=O)c1ccc2cnccc2c1 WX618218 [0,1,0,0,0,0|1,0,0]=2 28 B15R2.1601 COC(=O)c1ncc2ccccc2n1 WXC00119 [0,1,0,0,0,0|2,0,0]=3 29 B15R2.1601 c1ccc2cc(ccc2c1)C(=S)NN WXC00713 [0,1,0,0,0,0|1,1,0]=3 30 B15R2.1601 c1ccc2cc(ccc2c1)\C(=N\O)\N WX690151 [0,1,0,0,0,0|1,0,1]=3 31 B15R2.7174 Cc1ccc2ccc(nc2c1)C(=O)O WX614109 [0,1,0,0,0,0|2,0,0]=3 32 B15R2.7180 Cc1ccc2c(c1)ccc(n2)C(=O)O WX614101 [0,1,0,0,0,0|2,0,0]=3 33 B15R2.7180 Cc1ccc2cc(ccc2n1)C(=O)O WX614201 [0,1,0,0,0,0|2,0,0]=3 34 B15R2.7180 Cc1ccc2cc(ccc2n1)[N+](=O)[O-] WX609948 [0,1,0,0,0,0|3,0,0]=4 35 B15R2.7180 c1cc(cc2c1cc(cn2)Br)[N+](=O)[O-] WXC00330 [0,1,0,0,0,0|3,0,0]=4 36 B15R2.7180 c1cc(nc2c1cc(cc2)O)C(=O)O WX614373 [0,1,0,0,0,0|2,0,0]=3 37 B15R2.14951 Cc1cc(nc2c1cccc2)C(=O)O WX614110 [0,1,0,0,0,0|2,0,0]=3 38 B15R2.61353 c1cc2ccc(nc2c(c1)Cl)C(=O)O WX614115 [0,1,0,0,0,0|2,0,0]=3 39 B13R2.72 CC(=O)N1CCc2c1cccc2 WX690274 [0,0,0,0,1,0|1,0,2]=4 40 B13R2.72 CC(=O)c1c2ccccc2[nH]n1 WX626026 [0,0,0,0,1,0|2,0,0]=3 41 B13R2.72 CC(=O)c1c[nH]c2c1cccc2 WX624168 [0,0,0,0,1,0|1,0,0]=2 42 B13R2.72 CC(=O)c1c[nH]c2c1cccn2 WX626025 [0,0,0,0,1,0|2,0,0]=3 43 B13R2.72 CC(=O)c1cnc2n1cccc2 WX624170 [0,0,0,0,1,0|2,0,0]=3 44 B13R2.72 CC(c1c[nH]c2c1cccc2)O WX642035 [0,0,0,0,1,0|1,0,2]=4 45 B13R2.72 c1ccc2c(c1)CC=C2C(=O)O WX612086 [0,0,0,0,1,0|1,0,1]=3 46 B13R2.72 c1ccc2c(c1)c(on2)C(=O)O WXC03688 [0,0,0,0,1,0|3,0,0]=4 47 B13R2.72 c1ccn2c(c1)c(cn2)C(=O)O WX614262 [0,0,0,0,1,0|3,0,0]=4 48 B13R2.72 c1ccn2c(c1)ncc2C(=O)O WX614016 [0,0,0,0,1,0|3,0,0]=4 49 B13R2.430 CC(c1ccc2c(c1)cc[nH]2)N WX609059 [0,0,0,0,1,0|2,0,1]=4 50 B13R2.430 c1cc(cc2c1cc[nH]2)C(=O)O WX614064 [0,0,0,0,1,0|2,0,0]=3 51 B13R2.430 c1cc2c(cc1C(=O)O)ocn2 WX614278 [0,0,0,0,1,0|3,0,0]=4 52 B13R2.430 c1cc2c(cc[nH]2)cc1C(=O)O WX614213 [0,0,0,0,1,0|2,0,0]=3 53 B13R2.430 c1cc2c(cco2)cc1C(=O)O WX614142 [0,0,0,0,1,0|2,0,0]=3 54 B13R2.430 c1cc2c(cco2)cc1[N+](=O)[O-] WXC03028 [0,0,0,0,1,0|3,0,0]=4 55 B13R2.430 c1cc2cc(ncn2c1)C(=O)O WX614208 [0,0,0,0,1,0|3,0,0]=4 56 B13R2.430 c1cc2nccn2cc1C(=O)O WX614286 [0,0,0,0,1,0|3,0,0]=4 57 B13R2.435 CC(=O)c1cc2ccccc2[nH]1 WX626022 [0,0,0,0,1,0|1,0,0]=2 58 B13R2.435 CC(=O)c1cn2ccccc2n1 WX626027 [0,0,0,0,1,0|2,0,0]=3 59 B13R2.435 CC(c1cc2ccccc2s1)O WX642067 [0,0,0,0,1,0|1,0,2]=4 60 B13R2.435 c1ccc2c(c1)nc(s2)C(=O)O WX614236 [0,0,0,0,1,0|3,0,0]=4 61 B13R2.435 c1ccn2cc(nc2c1)C(=O)O WX614053 [0,0,0,0,1,0|3,0,0]=4 62 B12R2.24 Cc1ccc2c(n1)cccn2 WX690095 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.24 Cc1ccc2cnccc2c1 WXC01979 [2,0,0,0,0,0|1,0,0]=3 64 B12R2.24 c1cc(cc2c1ccnc2)Br WX633024 [2,0,0,0,0,0|2,0,0]=4 65 B12R2.24 c1cc(cc2c1ccnc2)O WX649052 [2,0,0,0,0,0|1,0,1]=4 66 B12R2.24 c1cc2cnccc2cc1Br WX637093 [2,0,0,0,0,0|2,0,0]=4 67 B12R2.24 c1cc2cnccc2cc1F WX639011 [2,0,0,0,0,0|2,0,0]=4 68 B12R2.24 c1cc2cnccc2cc1N WX609227 [2,0,0,0,0,0|2,0,0]=4 69 B12R2.24 c1ccc2c(c1)ccc(n2)I WX638031 [2,0,0,0,0,0|2,0,0]=4 70 B12R2.24 c1ccc2c(c1)ccc(n2)N WX609213 [2,0,0,0,0,0|2,0,0]=4 71 B12R2.24 c1ccc2cnc(cc2c1)O WX622020 [2,0,0,0,0,0|1,0,1]=4 72 B14R2.92 COc1ccc2cccnc2c1Br WX637078 [1,1,0,0,0,0|2,0,0]=4 73 B14R2.92 c1ccc2c(c1)ccc(c2N)C#N WX609177 [1,1,0,0,0,0|1,0,1]=4 74 B14R2.112 c1ccc2c(c1)ccc(n2)CCN WXC00634 [1,1,0,0,0,0|1,0,1]=4 75 B14R2.134 COc1ccc2ccc(cc2n1)Br WX633062 [1,1,0,0,0,0|2,0,0]=4 76 B14R2.134 c1cc(cc2c1ccc(n2)C=O)Cl WX624087 [1,1,0,0,0,0|1,0,0]=3 77 B14R2.142 c1cc2ccc(nc2c(c1)Cl)C=O WX624162 [1,1,0,0,0,0|1,0,0]=3 78 B14R2.1128 Cc1cc2c(cccn2)cc1OC WX690101 [1,1,0,0,0,0|2,0,0]=4 79 B14R2.1128 Cc1cc2ccccc2nc1C=O WX624088 [1,1,0,0,0,0|1,0,0]=3 80 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C=O WX624082 [1,1,0,0,0,0|1,0,0]=3 81 B14R2.1801 Cc1cccc2c1ccc(n2)C=O WX624012 [1,1,0,0,0,0|1,0,0]=3 82 B14R2.2332 COc1ccc2c(c1)ccc(=O)[nH]2 WX619133 [1,1,0,0,0,0|2,0,0]=4 83 B14R2.2332 COc1ccc2cc(ccc2n1)Br WX633231 [1,1,0,0,0,0|2,0,0]=4 84 B14R2.2332 Cc1ccc2c(c1)ccc(n2)C=O WX624089 [1,1,0,0,0,0|1,0,0]=3 85 B14R2.95 COC(=O)c1c2ccccc2[nH]n1 WX618179 [0,1,0,0,1,0|2,0,0]=4 86 B14R2.95 COC(=O)c1c2ccccc2on1 WX618290 [0,1,0,0,1,0|2,0,0]=4 87 B14R2.95 c1ccc2c(c1)c(c[nH]2)C(=O)CI WX630252 [0,1,0,0,1,0|1,0,0]=3 88 B14R2.5816 CC(=O)c1c[nH]c2c1cc(cn2)Br WX626073 [0,1,0,0,1,0|2,0,0]=4 89 B14R2.5816 c1cc2c(cc1Br)c(c[nH]2)C(=O)O WX614321 [0,1,0,0,1,0|2,0,0]=4 90 B14R2.601 CC(=O)c1ccc2c(c1)[nH]c(=O)[nH]2 WX626007 [0,1,0,0,1,0|2,0,0]=4 91 B14R2.624 c1c[nH]c2c1cc(c(c2)Cl)C(=O)O WX614009 [0,1,0,0,1,0|2,0,0]=4 92 B14R2.966 COC(=O)c1cc2c(cco2)nc1 WXC00938 [0,1,0,0,1,0|2,0,0]=4 93 B14R2.966 COC(=O)c1cc2cc[nH]c2nc1 WX618158 [0,1,0,0,1,0|2,0,0]=4 94 B14R2.966 COC(=O)c1ccc2c(c1)ocn2 WX618131 [0,1,0,0,1,0|2,0,0]=4 95 B14R2.966 COC(=O)c1ccc2cn[nH]c2c1 WXC01427 [0,1,0,0,1,0|2,0,0]=4 96 B14R2.966 COC(=O)c1ccn2ccnc2c1 WX618334 [0,1,0,0,1,0|2,0,0]=4 97 B14R2.5719 Cn1ccc2c1ccc(c2)C(=O)O WX614116 [0,1,0,0,1,0|2,0,0]=4 98 B14R2.5998 c1cc2c(cco2)c(c1C(=O)O)O WXC01092 [0,1,0,0,1,0|2,0,0]=4 99 B14R2.5998 c1cc2c(ccs2)c(c1C(=O)O)O WXC01933 [0,1,0,0,1,0|2,0,0]=4 100 B14R2.8824 Cc1cc(cc2c1[nH]cc2)C(=O)O WX614097 [0,1,0,0,1,0|2,0,0]=4 101 B14R2.24358 Cc1c[nH]c2c1cc(cc2)C(=O)O WX614098 [0,1,0,0,1,0|2,0,0]=4 102 B14R2.450 Cn1c2ccccc2cc1C(=O)O WX614311 [0,1,0,0,1,0|2,0,0]=4 103 B14R2.450 c1ccc2c(c1)c(c([nH]2)C(=O)O)Br WX614037 [0,1,0,0,1,0|2,0,0]=4 104 B14R2.972 c1ccc2c(c1)nc(s2)C(=O)CBr WX631013 [0,1,0,0,1,0|2,0,0]=4 105 B14R2.4529 c1cc2c(cc1Cl)cc([nH]2)C(=O)O WX614212 [0,1,0,0,1,0|2,0,0]=4 106 B14R2.4529 c1cc2c(cc1F)cc(o2)C(=O)O WX610074 [0,1,0,0,1,0|2,0,0]=4 107 B14R2.7969 c1cc2c(cc(s2)C(=O)O)c(c1)Cl WX614181 [0,1,0,0,1,0|2,0,0]=4 108 B14R2.7969 c1cc2cc(sc2c(c1)Cl)C(=O)O WX614207 [0,1,0,0,1,0|2,0,0]=4 109 B16R2.5347 c1ccc2cc(ccc2c1)C\C(=N\O)\N WX690197 [0,1,0,0,0,1|1,0,1]=4 110 B16R2.82802 CC(C)(Cc1ccc2ccccc2c1)N WX600114 [0,1,0,0,0,1|1,0,1]=4 111 B16R2.12044 c1cc2c(cc1Br)c(c(cn2)C(=O)O)O WX614186 [0,2,0,0,0,0|2,0,0]=4 112 B16R2.12044 c1cc2c(cc1F)c(c(cn2)C(=O)O)O WX614036 [0,2,0,0,0,0|2,0,0]=4 113 B16R2.23331 Cn1cc(c(=O)c2c1cccc2)C(=O)O WX612134 [0,2,0,0,0,0|2,0,0]=4 114 B16R2.23520 c1cc(cc2c1cc(c(=O)o2)C(=O)O)O WXC01721 [0,2,0,0,0,0|2,0,0]=4 115 B16R2.767 CCOC(=O)c1ccc2cnccc2c1 WX618219 [0,2,0,0,0,0|1,0,0]=3 116 B16R2.173132 COC(=O)c1ccc2c(=O)cc[nH]c2c1 WX618232 [0,2,0,0,0,0|1,0,0]=3 117 B16R2.7486 COc1ccc2c(c1)ccc(n2)C(=O)O WX614374 [0,2,0,0,0,0|2,0,0]=4 118 B14R2.31359 c1cc(c2cccnc2c1)C(=O)O WX614068 [0,0,1,1,0,0|2,0,0]=4 119 B14R2.31359 c1cc2ccncc2c(c1)C(=O)O WXC02093 [0,0,1,1,0,0|2,0,0]=4 120 B12R2.1 c1cc2c(c[nH]c2nc1)C=O WX624163 [1,0,0,0,1,0|2,0,0]=4 121 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O WX624002 [1,0,0,0,1,0|1,0,0]=3 122 B12R2.1 c1ccc2c(c1)c(n[nH]2)C=O WX624131 [1,0,0,0,1,0|2,0,0]=4 123 B12R2.1 c1ccn2c(c1)ncc2C=O WX624034 [1,0,0,0,1,0|2,0,0]=4 124 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O WX624110 [1,0,0,0,1,0|1,0,0]=3 125 B12R2.32 c1ccc2c(c1)nc(s2)C=O WX624061 [1,0,0,0,1,0|2,0,0]=4 126 B12R2.32 c1ccn2cc(nc2c1)C=O WX624067 [1,0,0,0,1,0|2,0,0]=4 127 B12R2.44 CCc1ccc2c(c1)cc[nH]2 WX690015 [1,0,0,0,1,0|1,0,1]=4 128 B12R2.44 CCc1ccc2cc[nH]c2c1 WX690029 [1,0,0,0,1,0|1,0,1]=4 129 B12R2.44 COc1ccc2cc[nH]c2c1 WX690013 [1,0,0,0,1,0|2,0,0]=4 130 B12R2.44 c1cc(cc2c1cc[nH]2)C=O WX625040 [1,0,0,0,1,0|1,0,0]=3 131 B12R2.44 c1cc2c(cc1C=O)nc[nH]2 WX624108 [1,0,0,0,1,0|2,0,0]=4 132 B14R2.1008 c1cc(cc2c1cco2)CC(=O)O WX610171 [0,0,0,0,1,1|2,0,0]=4