0 B12R2.18 Cn1c2ccccc2[nH]c1=O WXC02329 [0,0,0,0,0,0|1,0,0]=1 1 B12R2.18 Cn1c2ccccc2nc1N WX609444 [0,0,0,0,0,0|2,0,1]=3 2 B12R2.18 c1ccc2c(c1)C(C(=O)N2)N WX609436 [0,0,0,0,0,0|2,0,0]=2 3 B11R2.1 Cn1c2ccccc2cn1 WX690064 [1,0,0,0,0,0|3,0,0]=4 4 B11R2.1 c1cc2c(c[nH]c2nc1)Br WX637327 [1,0,0,0,0,0|3,0,0]=4 5 B11R2.1 c1cc2c(c[nH]c2nc1)Cl WX636321 [1,0,0,0,0,0|3,0,0]=4 6 B11R2.1 c1cc2c(c[nH]c2nc1)I WX638057 [1,0,0,0,0,0|3,0,0]=4 7 B11R2.1 c1ccc2c(c1)CCC2O WX649087 [1,0,0,0,0,0|2,0,1]=4 8 B11R2.1 c1ccc2c(c1)c(co2)Br WX637107 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.1 c1cncc2c1c(c[nH]2)Br WX633072 [1,0,0,0,0,0|3,0,0]=4 10 B11R2.10 c1cc2c(nc1)CC(=O)N2 WX619106 [1,0,0,0,0,0|2,0,0]=3 11 B11R2.10 c1ccc2c(c1)[nH]c(n2)N WX609442 [1,0,0,0,0,0|1,0,1]=3 12 B11R2.10 c1ccc2c(c1)[nH]c(n2)S WXC01123 [1,0,0,0,0,0|0,1,1]=3 13 B11R2.10 c1ccc2c(c1)nc(o2)Cl WX636225 [1,0,0,0,0,0|2,0,1]=4 14 B11R2.10 c1ccc2c(c1)nc(s2)Br WX637322 [1,0,0,0,0,0|2,0,1]=4 15 B11R2.10 c1ccc2c(c1)nc(s2)N WX609449 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.45 Cn1c2ccccc2nc1CN WX609006 [0,1,0,0,0,0|2,0,1]=4 17 B13R2.45 Cn1c2ccccc2nc1CO WX640136 [0,1,0,0,0,0|1,0,2]=4 18 B13R2.45 c1ccc2c(c1)c(c([nH]2)C=O)Cl WX624160 [0,1,0,0,0,0|2,0,0]=3 19 B13R2.135 CNC1c2ccccc2NC1=O WX603030 [0,1,0,0,0,0|2,0,0]=3 20 B13R2.135 Cc1c(c2ccccc2[nH]1)C=O WX624001 [0,1,0,0,0,0|2,0,1]=4 21 B13R2.135 Cc1c(c2ccccc2[nH]1)CO WX640010 [0,1,0,0,0,0|2,0,0]=3 22 B13R2.135 c1ccc2c(c1)\C(=N/N)\C(=O)N2 WX684002 [0,1,0,0,0,0|2,0,0]=3 23 B13R2.135 c1ccc2c(c1)c(c([nH]2)Br)C=O WXC00177 [0,1,0,0,0,0|2,0,1]=4 24 B13R2.359 CC1(c2c(cccn2)NC1=O)C WXC00002 [0,1,0,0,0,0|3,0,0]=4 25 B13R2.359 CC1(c2ccccc2NC1=O)C WXC02967 [0,1,0,0,0,0|2,0,0]=3 26 B13R2.3028 CC1c2cc(ccc2NC1=O)Br WX637290 [0,1,0,0,0,0|2,0,0]=3 27 B13R2.3028 CC1c2cc(ccc2NC1=O)O WX645015 [0,1,0,0,0,0|2,0,0]=3 28 B13R2.3028 Cc1ccc2c(c1)C(C(=O)N2)N WX604248 [0,1,0,0,0,0|2,0,0]=3 29 B13R2.3028 Cc1ccc2c(c1)C(C(=O)N2)N WX609438 [0,1,0,0,0,0|2,0,0]=3 30 B13R2.3085 CN1c2ccccc2C(C1=O)N WX604249 [0,1,0,0,0,0|2,0,0]=3 31 B13R2.3085 CN1c2ccccc2C(C1=O)N WX609440 [0,1,0,0,0,0|2,0,0]=3 32 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O WX633077 [0,1,0,0,0,0|1,0,1]=3 33 B13R2.5190 CC1c2ccc(cc2NC1=O)Br WX634025 [0,1,0,0,0,0|2,0,0]=3 34 B13R2.5190 CN1c2ccc(cc2CC1=O)Br WX637289 [0,1,0,0,0,0|2,0,0]=3 35 B13R2.5190 CN1c2ccc(cc2CC1=O)O WX649015 [0,1,0,0,0,0|2,0,0]=3 36 B13R2.5190 Cc1ccc2c(c1)NC(=O)C2N WX603031 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.36 CC(c1ccccc1)C(=N)N WX619918 [0,0,1,0,0,0|3,0,0]=4 38 B11R1.40 c1ccc(cc1)C\C(=N/O)\N WX690150 [0,0,1,0,0,0|2,0,1]=4 39 B13R2.328 c1cc2c(c(=O)[nH]c(=O)[nH]2)nc1 WXC02723 [0,0,0,0,0,1|2,0,1]=4 40 B13R2.369 CC1C(=O)Nc2ccccc2O1 WX690112 [0,0,0,0,0,1|2,0,0]=3 41 B13R2.369 c1ccc2c(c1)[nH]c(=O)c(=O)[nH]2 WX619023 [0,0,0,0,0,1|1,0,1]=3 42 B13R2.369 c1ccc2c(c1)nc(c(=O)o2)Cl WX636214 [0,0,0,0,0,1|3,0,0]=4 43 B10R1.18 c1ccc(cc1)CC(=S)N WX619929 [1,0,1,0,0,0|1,1,0]=4 44 B10R1.18 c1ccc(cc1)NC(=N)N WX684412 [1,0,1,0,0,0|1,0,0]=3 45 B10R1.4 Cc1ccccc1NC=O WXC00961 [1,0,1,0,0,0|1,0,0]=3 46 B10R1.4 c1ccc(c(c1)NC=O)Br WXC04003 [1,0,1,0,0,0|1,0,0]=3 47 B10R1.61 B(c1ccccc1N)(O)O WX650019 [1,0,1,0,0,0|1,0,1]=4 48 B10R2.7 c1c[nH]c2c1ccnc2 WX690125 [2,0,0,0,0,0|2,0,0]=4 49 B10R2.7 c1c[nH]c2c1cncc2 WX690084 [2,0,0,0,0,0|2,0,0]=4 50 B10R2.7 c1cncc2c1nc[nH]2 WXC01632 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.32 c1ccc(cc1)NC(=O)CCCl WX630029 [0,1,1,0,0,0|2,0,0]=4 52 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl WXC02742 [0,1,1,0,0,0|2,0,0]=4 53 B12R1.49 c1cc(ccc1CC(=O)NN)Cl WX684401 [0,1,1,0,0,0|2,0,0]=4 54 B12R1.49 c1cc(ccc1CC(=O)NN)F WX684044 [0,1,1,0,0,0|2,0,0]=4 55 B12R1.49 c1cc(ccc1NC(=O)CCl)Br WXC00946 [0,1,1,0,0,0|2,0,0]=4 56 B12R1.49 c1cc(ccc1NC(=O)NN)Br WXC04808 [0,1,1,0,0,0|1,0,0]=3 57 B12R1.50 COC(=O)Nc1cccc(c1)Br WXC03121 [0,1,1,0,0,0|2,0,0]=4 58 B12R1.371 CNC(=O)Cc1ccccc1Br WX633083 [0,1,1,0,0,0|2,0,0]=4 59 B12R1.371 CNC(=O)Cc1ccccc1Cl WXC00239 [0,1,1,0,0,0|2,0,0]=4 60 B12R1.371 Cc1ccccc1NC(=O)CCl WX630229 [0,1,1,0,0,0|2,0,0]=4 61 B12R1.371 c1ccc(c(c1)NC(=O)CBr)F WX631028 [0,1,1,0,0,0|2,0,0]=4 62 B12R2.1 c1cc2c(c[nH]c2nc1)CO WX640345 [1,1,0,0,0,0|2,0,0]=4 63 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O WX624002 [1,1,0,0,0,0|1,0,1]=4 64 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN WX603102 [1,1,0,0,0,0|2,0,0]=4 65 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO WX640278 [1,1,0,0,0,0|1,0,0]=3 66 B12R2.132 Cc1c[nH]c2c1cc(cc2)Br WX633205 [1,1,0,0,0,0|2,0,0]=4 67 B12R2.132 Cn1cnc2c1cc(cc2)Br WX637282 [1,1,0,0,0,0|1,0,1]=4 68 B12R2.203 Cc1c[nH]c2c1c(ccc2)O WX645026 [1,1,0,0,0,0|2,0,0]=4 69 B12R2.612 Cn1cnc2c1ccc(c2)Br WX637114 [1,1,0,0,0,0|1,0,1]=4 70 B12R2.32 CNc1[nH]c2ccccc2n1 WX606068 [1,1,0,0,0,0|1,0,1]=4 71 B12R2.32 c1ccc2c(c1)[nH]c(n2)CN WX609001 [1,1,0,0,0,0|1,0,1]=4 72 B12R2.32 c1ccc2c(c1)[nH]c(n2)CO WX640277 [1,1,0,0,0,0|0,0,2]=4 73 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O WX624110 [1,1,0,0,0,0|1,0,0]=3 74 B12R2.32 c1ccc2c(c1)nc(s2)C=O WX624061 [1,1,0,0,0,0|1,0,1]=4 75 B12R2.95 c1ccc2c(c1)CS(=O)(=O)N2 WX682915 [1,1,0,0,0,0|2,0,0]=4 76 B12R2.202 Cc1[nH]c2cccc(c2n1)O WX649076 [1,1,0,0,0,0|1,0,1]=4 77 B12R2.202 Cc1cc2c([nH]1)cccc2O WX649002 [1,1,0,0,0,0|2,0,0]=4 78 B12R2.202 Cc1cccc2c1nc([nH]2)N WX609379 [1,1,0,0,0,0|1,0,1]=4 79 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 WX633088 [1,1,0,0,0,0|1,0,0]=3 80 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 WX633048 [1,1,0,0,0,0|1,0,0]=3 81 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 WXFC0192 [1,1,0,0,0,0|1,0,0]=3 82 B12R2.606 Cc1[nH]c2ccc(cc2n1)Br WX637281 [1,1,0,0,0,0|1,0,1]=4 83 B12R2.606 Cc1ccc2c(c1)[nH]c(n2)N WX609323 [1,1,0,0,0,0|1,0,1]=4 84 B12R2.606 Cc1ccc2c(c1)nc([nH]2)N WX609210 [1,1,0,0,0,0|1,0,1]=4 85 B12R2.606 c1c(cnc2c1oc(=O)[nH]2)Br WX637023 [1,1,0,0,0,0|2,0,0]=4 86 B12R2.606 c1cc(nc2c1[nH]c(=O)[nH]2)N WX609510 [1,1,0,0,0,0|1,0,0]=3 87 B12R2.606 c1cc2c(cc1Br)CC(=O)C2 WX633120 [1,1,0,0,0,0|2,0,0]=4 88 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 WX633065 [1,1,0,0,0,0|1,0,0]=3 89 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 WX633050 [1,1,0,0,0,0|1,0,0]=3 90 B12R2.606 c1cc2c(cc1Br)[nH]c(=O)[nH]2 WX633196 [1,1,0,0,0,0|0,0,0]=2 91 B12R2.606 c1cc2c(cc1Cl)[nH]c(n2)S WXC01328 [1,1,0,0,0,0|0,1,1]=4 92 B12R2.606 c1cc2c(cc1F)CC(=O)N2 WX619027 [1,1,0,0,0,0|1,0,0]=3 93 B12R2.606 c1cc2c(cc1F)[nH]c(=O)o2 WX619212 [1,1,0,0,0,0|1,0,0]=3 94 B12R2.606 c1cc2c(cc1O)CC(=O)N2 WX649011 [1,1,0,0,0,0|1,0,0]=3 95 B14R2.4513 CN1c2cc(ccc2OCC1=O)Br WX633164 [0,1,0,0,0,1|2,0,0]=4 96 B14R2.8235 c1cc2c(cc1Br)c(cc(=O)[nH]2)O WXC02257 [0,1,0,0,0,1|1,0,0]=3 97 B14R2.8235 c1cc2c(cc1I)c(=O)oc(=O)[nH]2 WX634006 [0,1,0,0,0,1|1,0,1]=4 98 B14R2.28480 c1cc2c(c(c1)Cl)c(=O)oc(=O)[nH]2 WX619131 [0,1,0,0,0,1|1,0,1]=4 99 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C=O WX624082 [0,1,0,0,0,1|1,0,1]=4 100 B14R2.450 Cn1c2ccccc2cc1C(=O)O WX614311 [0,2,0,0,0,0|2,0,0]=4 101 B14R2.450 c1ccc2c(c1)c(c([nH]2)C(=O)O)Br WX614037 [0,2,0,0,0,0|2,0,0]=4 102 B14R2.517 c1ccc2c(c1)C(C(=O)N2)CCN WX600049 [0,2,0,0,0,0|2,0,0]=4 103 B14R2.4506 Cc1ccc2c(c1Br)C(=O)C(=O)N2 WX633092 [0,2,0,0,0,0|1,0,1]=4 104 B14R2.28485 CN1c2c(cccc2Br)C(=O)C1=O WX633078 [0,2,0,0,0,0|1,0,1]=4 105 B12R2.24 c1ccc2c(c1)CCC(=O)N2 WX602171 [0,0,1,1,0,0|2,0,0]=4 106 B12R2.24 c1ccc2c(c1)NCC(=O)N2 WX602060 [0,0,1,1,0,0|2,0,0]=4