0 B13R2.435 CC(=O)c1cc2ccccc2[nH]1 WX626022 [0,0,0,0,0,0|1,0,0]=1 1 B13R2.435 CC(=O)c1cn2ccccc2n1 WX626027 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.435 CC(c1[nH]c2ccccc2n1)N WX609005 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.435 CC(c1cc2ccccc2s1)O WX642067 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.435 c1cc2nc(cn2nc1)C(=O)O WX614284 [0,0,0,0,0,0|2,0,1]=3 5 B13R2.435 c1ccc2c(c1)CC(C2)C(=O)O WX610123 [0,0,0,0,0,0|1,0,2]=3 6 B13R2.435 c1ccc2c(c1)CC(O2)C(=O)O WX610124 [0,0,0,0,0,0|1,0,2]=3 7 B13R2.435 c1ccc2c(c1)nc(s2)C(=O)O WX614236 [0,0,0,0,0,0|1,0,1]=2 8 B13R2.435 c1ccn2cc(nc2c1)C(=O)O WX614053 [0,0,0,0,0,0|1,0,1]=2 9 B13R2.435 c1cnc2nc(cn2c1)C(=O)O WXC03643 [0,0,0,0,0,0|2,0,1]=3 10 B12R2.32 CNc1[nH]c2ccccc2n1 WX606068 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.32 c1ccc2c(c1)[nH]c(n2)CN WX609001 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.32 c1ccc2c(c1)[nH]c(n2)CO WX640277 [1,0,0,0,0,0|1,0,1]=3 13 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O WX624110 [1,0,0,0,0,0|0,0,0]=1 14 B12R2.32 c1ccc2c(c1)cc(o2)CO WX640356 [1,0,0,0,0,0|1,0,1]=3 15 B12R2.32 c1ccc2c(c1)cc(s2)CO WX640279 [1,0,0,0,0,0|1,0,1]=3 16 B12R2.32 c1ccc2c(c1)nc(s2)C=O WX624061 [1,0,0,0,0,0|1,0,1]=3 17 B12R2.32 c1ccn2cc(nc2c1)C=O WX624067 [1,0,0,0,0,0|1,0,1]=3 18 B12R2.32 c1ccn2cc(nc2c1)CO WX640027 [1,0,0,0,0,0|1,0,2]=4 19 B14R2.450 Cc1c(nc2n1cccc2)C(=O)O WX614353 [0,1,0,0,0,0|1,0,1]=3 20 B14R2.450 Cn1c2ccccc2cc1C(=O)O WX614311 [0,1,0,0,0,0|0,0,0]=1 21 B14R2.450 c1ccc2c(c1)c(c([nH]2)C(=O)O)Br WX614037 [0,1,0,0,0,0|0,0,0]=1 22 B14R2.972 c1ccc2c(c1)nc(s2)C(=O)CBr WX631013 [0,1,0,0,0,0|2,0,1]=4 23 B14R2.4529 Cc1ccc2c(c1)nc(s2)C(=O)O WX614237 [0,1,0,0,0,0|1,0,1]=3 24 B14R2.4529 Cc1ccc2c(c1)sc(n2)C(=O)O WX614112 [0,1,0,0,0,0|1,0,1]=3 25 B14R2.4529 c1cc2c(cc1Cl)cc([nH]2)C(=O)O WX614212 [0,1,0,0,0,0|0,0,0]=1 26 B14R2.4529 c1cc2c(cc1F)cc(o2)C(=O)O WX610074 [0,1,0,0,0,0|1,0,0]=2 27 B14R2.4529 c1cc2nc(cn2cc1Cl)C(=O)O WX614368 [0,1,0,0,0,0|1,0,1]=3 28 B14R2.7969 Cc1cccc2c1nc(s2)C(=O)O WX614238 [0,1,0,0,0,0|1,0,1]=3 29 B14R2.7969 Cc1cccc2c1sc(n2)C(=O)O WX614051 [0,1,0,0,0,0|1,0,1]=3 30 B14R2.7969 c1cc2c(cc(s2)C(=O)O)c(c1)Cl WX614181 [0,1,0,0,0,0|1,0,0]=2 31 B14R2.7969 c1cc2cc(sc2c(c1)Cl)C(=O)O WX614207 [0,1,0,0,0,0|1,0,0]=2 32 B12R1.125 c1ccc(c(c1)CCC(=O)O)F WXC03386 [0,0,1,0,0,0|1,0,2]=4 33 B14R2.768 c1ccc2c(c1)CC(C2)CC(=O)O WX610338 [0,0,0,0,0,1|1,0,2]=4 34 B14R2.768 c1ccc2c(c1)[nH]c(n2)CC(=O)O WX610135 [0,0,0,0,0,1|1,0,0]=2 35 B14R2.781 CC(=O)c1ccc2ccccc2n1 WX624169 [0,0,0,0,0,1|1,0,1]=3 36 B14R2.781 CC(=O)c1ccc2cnccc2c1 WX626035 [0,0,0,0,0,1|3,0,0]=4 37 B14R2.781 c1cc2c(cc1C(=O)O)nccn2 WX614020 [0,0,0,0,0,1|3,0,0]=4 38 B14R2.781 c1cc2ccc(cc2nc1)C(=O)O WX614017 [0,0,0,0,0,1|2,0,0]=3 39 B14R2.781 c1cc2cnccc2cc1C(=O)O WX614132 [0,0,0,0,0,1|2,0,0]=3 40 B14R2.781 c1ccc2c(c1)CCC(O2)C(=O)O WXC00786 [0,0,0,0,0,1|1,0,2]=4 41 B14R2.781 c1ccc2c(c1)ccc(n2)C(=N)N WXC03162 [0,0,0,0,0,1|2,0,1]=4 42 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O WX614243 [0,0,0,0,0,1|0,0,1]=2 43 B11R1.40 c1ccc(cc1)C\C(=N/O)\N WX690150 [1,0,1,0,0,0|1,0,1]=4 44 B11R1.91 c1ccc(cc1)NCC(=O)N WX602022 [1,0,1,0,0,0|1,0,1]=4 45 B11R1.91 c1ccc(cc1)\C=C\[N+](=O)[O-] WXC02075 [1,0,1,0,0,0|1,0,1]=4 46 B11R2.10 c1cc2c(nc1)CC(=O)N2 WX619106 [2,0,0,0,0,0|1,0,1]=4 47 B11R2.10 c1ccc2c(c1)[nH]c(n2)N WX609442 [2,0,0,0,0,0|2,0,0]=4 48 B11R2.10 c1ccc2c(c1)[nH]c(n2)S WXC01123 [2,0,0,0,0,0|1,1,0]=4 49 B13R1.135 COC(=O)C(=C)Cc1ccccc1 WXC04246 [0,1,1,0,0,0|1,0,0]=3 50 B13R1.528 COC(=O)\C=C\c1ccccc1Cl WXC02679 [0,1,1,0,0,0|1,0,0]=3 51 B13R1.528 COC(=O)\C=C\c1ccccc1F WXC02877 [0,1,1,0,0,0|1,0,0]=3 52 B13R1.528 Cc1ccccc1\C=C\C(=O)OC WXC02878 [0,1,1,0,0,0|1,0,0]=3 53 B13R2.43 Cc1ccc2c(c1)[nH]c(n2)CO WX640127 [1,1,0,0,0,0|1,0,1]=4 54 B13R2.43 Cc1ccc2c(c1)cc(s2)CO WX640132 [1,1,0,0,0,0|1,0,1]=4 55 B13R2.43 c1cc(cc2c1cc(s2)CO)Cl WX640131 [1,1,0,0,0,0|1,0,1]=4 56 B13R2.43 c1cc2c(cc1Cl)cc([nH]2)C=O WX624009 [1,1,0,0,0,0|0,0,0]=2 57 B13R2.45 Cc1c(nc2n1cccc2)C=O WX624014 [1,1,0,0,0,0|1,0,1]=4 58 B13R2.45 Cn1c2ccccc2nc1CO WX640136 [1,1,0,0,0,0|1,0,1]=4 59 B13R2.45 c1ccc2c(c1)c(c([nH]2)C=O)Cl WX624160 [1,1,0,0,0,0|0,0,0]=2 60 B13R2.45 c1ccc2c(c1)c(c(s2)CO)Cl WX640130 [1,1,0,0,0,0|1,0,1]=4 61 B13R2.54 Cc1cccc2c1[nH]c(c2)C=O WX624011 [1,1,0,0,0,0|0,0,0]=2 62 B13R2.54 Cc1cccc2c1nc([nH]2)CO WX640120 [1,1,0,0,0,0|1,0,1]=4 63 B13R2.54 Cc1cccc2n1cc(n2)C=O WX624084 [1,1,0,0,0,0|1,0,1]=4 64 B13R2.54 Cc1cccn2c1nc(c2)C=O WX624074 [1,1,0,0,0,0|1,0,1]=4 65 B13R2.54 c1cc2c(cc([nH]2)C=O)c(c1)Cl WX624010 [1,1,0,0,0,0|0,0,0]=2 66 B13R2.54 c1cc2c(cc(s2)CO)c(c1)Cl WX640113 [1,1,0,0,0,0|1,0,1]=4 67 B13R2.54 c1cc2cc(sc2c(c1)Cl)CO WX640108 [1,1,0,0,0,0|1,0,1]=4 68 B15R2.629 Cn1c2ccccc2cc1CC(=O)O WXC00106 [0,1,0,0,0,1|0,0,0]=2 69 B15R2.627 c1ccc2c(c1)c(c(cn2)C(=O)O)O WX614034 [0,1,0,0,0,1|0,0,1]=3 70 B15R2.627 c1ccc2c(c1)ccc(c2F)C(=O)O WXC03645 [0,1,0,0,0,1|1,0,0]=3 71 B15R2.627 c1ccn2c(c1)ncc(c2=O)C(=O)O WX614093 [0,1,0,0,0,1|1,0,1]=4 72 B15R2.984 CC(=O)c1cc2ccccc2[nH]c1=O WX614111 [0,1,0,0,0,1|1,0,0]=3 73 B15R2.984 CC(=O)c1cc2ccccc2cc1O WXC01954 [0,1,0,0,0,1|2,0,0]=4 74 B15R2.984 Cc1c(cc2cnccc2n1)C(=O)O WXC03269 [0,1,0,0,0,1|1,0,1]=4 75 B15R2.984 Cc1cc2ccccc2nc1C(=O)O WX614050 [0,1,0,0,0,1|0,0,1]=3 76 B15R2.1601 COC(=O)C1=Cc2ccccc2CC1 WXC01334 [0,1,0,0,0,1|1,0,0]=3 77 B15R2.1601 COC(=O)c1ccc2cccnc2c1 WX618248 [0,1,0,0,0,1|2,0,0]=4 78 B15R2.1601 COC(=O)c1ccc2cnccc2c1 WX618218 [0,1,0,0,0,1|2,0,0]=4 79 B15R2.1601 COC(=O)c1ncc2ccccc2n1 WXC00119 [0,1,0,0,0,1|0,0,1]=3 80 B15R2.1601 c1ccc2cc(ccc2c1)\C(=N\O)\N WX690151 [0,1,0,0,0,1|2,0,0]=4 81 B15R2.7174 Cc1ccc2ccc(nc2c1)C(=O)O WX614109 [0,1,0,0,0,1|0,0,1]=3 82 B15R2.7180 Cc1ccc2c(c1)ccc(n2)C(=O)O WX614101 [0,1,0,0,0,1|0,0,1]=3 83 B15R2.7180 Cc1ccc2cc(ccc2n1)C(=O)O WX614201 [0,1,0,0,0,1|2,0,0]=4 84 B15R2.7180 c1cc(nc2c1cc(cc2)O)C(=O)O WX614373 [0,1,0,0,0,1|0,0,1]=3 85 B15R2.14951 Cc1cc(nc2c1cccc2)C(=O)O WX614110 [0,1,0,0,0,1|0,0,1]=3 86 B15R2.61353 c1cc2ccc(nc2c(c1)Cl)C(=O)O WX614115 [0,1,0,0,0,1|0,0,1]=3 87 B15R2.630 Cn1c2ccccc2nc1S(=O)(=O)O WX682202 [0,2,0,0,0,0|2,0,0]=4 88 B15R2.1356 CCOC(=O)c1cc2c([nH]1)cccn2 WX618208 [0,2,0,0,0,0|1,0,0]=3 89 B15R2.1356 CCOC(=O)c1cc2cccnc2[nH]1 WX618295 [0,2,0,0,0,0|1,0,0]=3 90 B15R2.1356 CCOC(=O)c1cn2ccccc2n1 WX618166 [0,2,0,0,0,0|1,0,1]=4 91 B15R2.1590 COC(=O)c1cc2cc(ccc2[nH]1)Br WX637246 [0,2,0,0,0,0|0,0,0]=2 92 B15R2.1590 COC(=O)c1cc2cc(ccc2s1)Cl WXC03947 [0,2,0,0,0,0|1,0,0]=3 93 B15R2.1590 Cc1ccc2c(c1)sc(n2)C(=O)OC WX618535 [0,2,0,0,0,0|1,0,1]=4 94 B15R2.1598 Cc1cccc2c1sc(n2)C(=O)OC WX618357 [0,2,0,0,0,0|1,0,1]=4 95 B15R2.7250 Cc1ccc2c(c1)nc([nH]2)S(=O)(=O)O WX682201 [0,2,0,0,0,0|2,0,0]=4 96 B13R2.369 c1ccc2c(c1)[nH]c(=O)c(=O)[nH]2 WX619023 [0,0,1,1,0,0|2,0,0]=4 97 B13R2.369 c1ccc2c(c1)nc(c(=O)o2)Cl WX636214 [0,0,1,1,0,0|1,0,1]=4 98 B13R2.72 CC(=O)c1cnc2n1cccc2 WX624170 [0,0,1,1,0,0|2,0,0]=4 99 B13R2.72 c1ccc2c(c1)CC=C2C(=O)O WX612086 [0,0,1,1,0,0|1,0,1]=4 100 B13R2.72 c1ccc2c(c1)c(on2)C(=O)O WXC03688 [0,0,1,1,0,0|2,0,0]=4 101 B13R2.72 c1ccn2c(c1)ncc2C(=O)O WX614016 [0,0,1,1,0,0|1,0,0]=3 102 B13R2.72 c1cnc2ncc(n2c1)C(=O)O WX614105 [0,0,1,1,0,0|2,0,0]=4 103 B13R2.430 c1cc(cc2c1cc[nH]2)C(=O)O WX614064 [0,0,1,1,0,0|2,0,0]=4 104 B13R2.430 c1cc2c(cc[nH]2)cc1C(=O)O WX614213 [0,0,1,1,0,0|2,0,0]=4 105 B13R2.430 c1cc2c(cco2)cc1C(=O)O WX614142 [0,0,1,1,0,0|2,0,0]=4 106 B13R2.430 c1cc2cc(ncn2c1)C(=O)O WX614208 [0,0,1,1,0,0|1,0,1]=4 107 B13R2.5569 c1cc(c2cc[nH]c2c1)C(=O)O WX614215 [0,0,1,1,0,0|2,0,0]=4 108 B13R2.5569 c1cc(n2ccnc2c1)C(=O)O WXC03779 [0,0,1,1,0,0|1,0,0]=3 109 B13R2.5569 c1cc2cc[nH]c2c(c1)C(=O)O WX614242 [0,0,1,1,0,0|2,0,0]=4 110 B13R2.5569 c1cnc(c2c1occ2)C(=O)O WX614281 [0,0,1,1,0,0|1,0,1]=4 111 B13R2.57 c1cc2ccc(cc2nc1)C=O WXC01612 [1,0,0,0,0,1|2,0,0]=4 112 B13R2.57 c1ccc2c(c1)cc(cn2)C=O WX624035 [1,0,0,0,0,1|0,0,1]=3 113 B15R2.1660 c1ccc2c(c1)cc(o2)\C=C\C(=O)O WX610378 [0,0,0,0,0,2|1,0,0]=3