0 B12R2.24 CC1CNc2ccccc2O1 WX602053 [0,0,0,0,0,0|2,0,1]=3 1 B12R2.24 CC1CNc2ccccc2S1 WX604425 [0,0,0,0,0,0|2,1,1]=4 2 B12R2.24 CC1COc2ccccc2N1 WX604081 [0,0,0,0,0,0|3,0,1]=4 3 B12R2.24 CC1CSc2ccccc2N1 WX604182 [0,0,0,0,0,0|3,0,1]=4 4 B12R2.24 c1ccc2c(c1)CC(=O)OC2 WX690066 [0,0,0,0,0,0|2,0,0]=2 5 B12R2.24 c1ccc2c(c1)CC(CN2)N WX604740 [0,0,0,0,0,0|3,0,1]=4 6 B12R2.24 c1ccc2c(c1)CCC(=O)N2 WX602171 [0,0,0,0,0,0|1,0,0]=1 7 B12R2.24 c1ccc2c(c1)NCC(=O)N2 WX602060 [0,0,0,0,0,0|2,0,0]=2 8 B12R2.24 c1ccc2c(c1)ccc(n2)I WX638031 [0,0,0,0,0,0|2,0,2]=4 9 B12R2.24 c1ccc2c(c1)ccc(n2)N WX609213 [0,0,0,0,0,0|2,0,2]=4 10 B12R2.24 c1ccc2c(c1)cnc(n2)Cl WX636001 [0,0,0,0,0,0|3,0,1]=4 11 B12R2.24 c1ccc2c(c1)cnc(n2)N WX609230 [0,0,0,0,0,0|3,0,1]=4 12 B12R2.24 c1ccc2cnc(cc2c1)O WX622020 [0,0,0,0,0,0|2,0,2]=4 13 B11R2.20 c1cc2c(nc1)NCCC2 WX606071 [1,0,0,0,0,0|2,0,1]=4 14 B11R2.20 c1ccc2c(c1)NCCN2 WX602061 [1,0,0,0,0,0|2,0,1]=4 15 B11R2.20 c1ccc2c(c1)NCCO2 WX604070 [1,0,0,0,0,0|1,0,1]=3 16 B11R2.20 c1ccc2c(c1)NCCS2 WX602054 [1,0,0,0,0,0|1,1,1]=4 17 B13R2.57 c1ccc2c(c1)CCC(O2)CO WX640086 [0,1,0,0,0,0|0,0,2]=3 18 B13R2.57 c1ccc2c(c1)cc(cn2)C=O WX624035 [0,1,0,0,0,0|2,0,1]=4 19 B13R2.155 c1cc2c(cc1Br)NC(=O)CC2 WX633031 [0,1,0,0,0,0|1,0,0]=2 20 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 WX633152 [0,1,0,0,0,0|2,0,0]=3 21 B13R2.155 c1cc2c(cc1Br)[nH]c(=O)cn2 WX633191 [0,1,0,0,0,0|2,0,1]=4 22 B13R2.155 c1cc2c(cc1O)NC(=O)CC2 WXC01574 [0,1,0,0,0,0|1,0,0]=2 23 B13R2.162 c1cc2c(c(c1)Br)[nH]c(=O)cn2 WX637146 [0,1,0,0,0,0|2,0,1]=4 24 B13R2.369 CC1C(=O)Nc2ccccc2O1 WX690112 [0,1,0,0,0,0|2,0,0]=3 25 B13R2.369 c1ccc2c(c1)[nH]c(=O)c(=O)[nH]2 WX619023 [0,1,0,0,0,0|2,0,1]=4 26 B13R2.369 c1ccc2c(c1)nc(c(=O)o2)Cl WX636214 [0,1,0,0,0,0|1,0,1]=3 27 B13R2.3683 CC1CCc2cc(ccc2N1)N WX602142 [0,1,0,0,0,0|2,0,1]=4 28 B13R2.3683 c1c(cnc2c1OCC(=O)N2)Br WX637212 [0,1,0,0,0,0|3,0,0]=4 29 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)F WX619207 [0,1,0,0,0,0|1,0,2]=4 30 B13R2.3683 c1cc2c(cc1Br)CCC(=O)N2 WX633057 [0,1,0,0,0,0|1,0,0]=2 31 B13R2.3683 c1cc2c(cc1Br)COC(=O)N2 WX633163 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.91 c1c(cncn1)CCC(=O)O WX613623 [0,0,1,0,0,0|2,0,0]=3 33 B11R1.91 c1ccc(cc1)CC[N+](=O)[O-] WXC02076 [0,0,1,0,0,0|1,0,1]=3 34 B11R1.91 c1ccc(cc1)NCC(=O)N WX602022 [0,0,1,0,0,0|2,0,0]=3 35 B11R1.91 c1ccnc(c1)C#CC(=O)O WXC01687 [0,0,1,0,0,0|1,0,2]=4 36 B11R2.1 c1cc2c(nc1)C(=O)CC2 WX626094 [0,0,0,0,1,0|1,0,0]=2 37 B11R2.1 c1ccc2c(c1)CCC2O WX649087 [0,0,0,0,1,0|0,0,2]=3 38 B11R2.1 c1ccc2c(c1)CNC2=O WX619030 [0,0,0,0,1,0|1,0,0]=2 39 B11R2.1 c1ccc2c(c1)c(co2)Br WX637107 [0,0,0,0,1,0|2,0,1]=4 40 B11R2.10 c1cc2c(nc1)CC(=O)N2 WX619106 [0,0,0,0,1,0|2,0,0]=3 41 B11R2.10 c1ccc2c(c1)[nH]c(n2)N WX609442 [0,0,0,0,1,0|3,0,0]=4 42 B11R2.10 c1ccc2c(c1)[nH]c(n2)S WXC01123 [0,0,0,0,1,0|2,1,0]=4 43 B11R2.10 c1ccc2c(c1)nc(o2)Cl WX636225 [0,0,0,0,1,0|2,0,0]=3 44 B11R2.10 c1ccc2c(c1)nc(s2)Br WX637322 [0,0,0,0,1,0|2,1,0]=4 45 B11R2.10 c1ccc2c(c1)nc(s2)N WX609449 [0,0,0,0,1,0|2,1,0]=4 46 B13R2.33 c1ccc2c(c1)CCC(=O)CC2 WX625099 [0,0,0,0,0,1|1,0,0]=2 47 B10R1.4 Cc1ccccc1NC=O WXC00961 [1,0,1,0,0,0|1,0,0]=3 48 B10R1.4 c1ccc(c(c1)NC=O)Br WXC04003 [1,0,1,0,0,0|2,0,0]=4 49 B12R1.125 CC(=O)SCc1ccccc1Cl WXC01340 [0,1,1,0,0,0|2,0,0]=4 50 B12R1.125 Cc1c(cccn1)CCC(=O)O WX613463 [0,1,1,0,0,0|2,0,0]=4 51 B12R1.125 Cc1cccnc1CCC(=O)O WX613467 [0,1,1,0,0,0|2,0,0]=4 52 B12R1.125 Cc1ccncc1CCC(=O)O WX613471 [0,1,1,0,0,0|2,0,0]=4 53 B12R1.125 Cc1cnccc1CCC(=O)O WX613468 [0,1,1,0,0,0|2,0,0]=4 54 B12R1.125 c1ccc(c(c1)CCC(=O)O)F WXC03386 [0,1,1,0,0,0|1,0,0]=3 55 B12R1.32 CCOC(=O)Cc1ccncc1 WXC03059 [0,1,1,0,0,0|2,0,0]=4 56 B12R1.32 c1ccc(cc1)NC(=O)CCCl WX630029 [0,1,1,0,0,0|1,0,0]=3 57 B12R1.75 c1ccc(c(c1)CC(=O)O)CBr WX610189 [0,1,1,0,0,0|2,0,0]=4 58 B12R2.1081 CC1CNCc2c1cccc2 WX604177 [1,1,0,0,0,0|2,0,0]=4 59 B12R2.1081 CC1CNCc2c1cccc2 WX604759 [1,1,0,0,0,0|2,0,0]=4 60 B12R2.1081 CC1c2ccccc2CCN1 WX604078 [1,1,0,0,0,0|2,0,0]=4 61 B12R2.1081 CC1c2ccccc2CCN1 WX604757 [1,1,0,0,0,0|2,0,0]=4 62 B12R2.1081 C[C@@H]1CNCc2c1cccc2 WX604648 [1,1,0,0,0,0|2,0,0]=4 63 B12R2.1081 C[C@H]1CNCc2c1cccc2 WX604647 [1,1,0,0,0,0|2,0,0]=4 64 B12R2.1081 Cc1cccc2c1CCNC2 WX604180 [1,1,0,0,0,0|2,0,0]=4 65 B12R2.1081 Cc1cccc2c1NCCC2 WX604069 [1,1,0,0,0,0|1,0,1]=4 66 B12R2.1081 c1cc2c(c(c1)Br)COCC2 WX633167 [1,1,0,0,0,0|2,0,0]=4 67 B12R2.1081 c1cc2c(c(c1)Cl)OCCN2 WX602057 [1,1,0,0,0,0|1,0,1]=4 68 B12R2.1081 c1cc2c(c(c1)O)CCNC2 WX604738 [1,1,0,0,0,0|2,0,0]=4 69 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N WX604247 [1,1,0,0,0,0|0,0,1]=3 70 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N WX604750 [1,1,0,0,0,0|0,0,1]=3 71 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N WXC00813 [1,1,0,0,0,0|0,0,1]=3 72 B12R2.1 c1ccc/2c(c1)CC\C2=N/O WX690241 [0,1,0,0,1,0|0,0,1]=3 73 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O WX624002 [0,1,0,0,1,0|1,0,1]=4 74 B12R2.1 c1ccc2c(c1)c(n[nH]2)C=O WX624131 [0,1,0,0,1,0|2,0,0]=4 75 B12R2.132 Cc1ccc2c(c1)C(CC2)O WX642123 [0,1,0,0,1,0|0,0,2]=4 76 B12R2.132 Cc1ccc2c(c1)[C@H](CC2)N WXC03237 [0,1,0,0,1,0|1,0,1]=4 77 B12R2.132 c1cc2c(cc1Br)C(CC2)N WX604358 [0,1,0,0,1,0|1,0,1]=4 78 B12R2.132 c1cc2c(cc1N)C(=O)NC2 WX602200 [0,1,0,0,1,0|1,0,0]=3 79 B12R2.132 c1cc2c(cc1N)C(=O)OC2 WX602074 [0,1,0,0,1,0|1,0,0]=3 80 B12R2.196 Cc1cccc2c1CCC2O WX642033 [0,1,0,0,1,0|0,0,2]=4 81 B12R2.196 c1cc2c(c(c1)Br)CCC2=O WX633095 [0,1,0,0,1,0|0,0,0]=2 82 B12R2.196 c1cc2c(c(c1)Br)CNC2=O WX633211 [0,1,0,0,1,0|1,0,0]=3 83 B12R2.196 c1cc2c(c(c1)N)CNC2=O WX602093 [0,1,0,0,1,0|1,0,0]=3 84 B12R2.203 Cc1cccc2c1C(CC2)O WX642122 [0,1,0,0,1,0|0,0,2]=4 85 B12R2.203 c1cc2c(c(c1)Br)C(=O)NC2 WX633054 [0,1,0,0,1,0|1,0,0]=3 86 B12R2.612 Cc1ccc2c(c1)CCC2O WX642032 [0,1,0,0,1,0|0,0,2]=4 87 B12R2.612 c1cc2c(cc1Br)CCC2O WX633165 [0,1,0,0,1,0|0,0,2]=4 88 B12R2.612 c1cc2c(cc1Br)CC[C@H]2O WX633147 [0,1,0,0,1,0|0,0,2]=4 89 B12R2.612 c1cc2c(cc1Br)CNC2=O WX633084 [0,1,0,0,1,0|1,0,0]=3 90 B12R2.2028 C[C@@H]1c2ccccc2C(=O)N1 WX619181 [0,1,0,0,1,0|1,0,0]=3 91 B12R2.2403 CC1(CCc2c1cccc2)O WX644012 [0,1,0,0,1,0|0,0,2]=4 92 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O WX624110 [0,1,0,0,1,0|1,0,1]=4 93 B12R2.32 c1ccc2c(c1)cc(o2)CO WX640356 [0,1,0,0,1,0|0,0,2]=4 94 B12R2.32 c1ccc2c(c1)nc(s2)C=O WX624061 [0,1,0,0,1,0|1,1,0]=4 95 B12R2.95 c1ccc2c(c1)CS(=O)(=O)N2 WX682915 [0,1,0,0,1,0|2,0,0]=4 96 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 WX633088 [0,1,0,0,1,0|1,0,0]=3 97 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 WX633048 [0,1,0,0,1,0|1,0,0]=3 98 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 WXFC0192 [0,1,0,0,1,0|1,0,0]=3 99 B12R2.606 CC1Cc2cc(ccc2O1)Br WX633185 [0,1,0,0,1,0|1,0,1]=4 100 B12R2.606 Cc1ccc2c(c1)nc(o2)S WX687603 [0,1,0,0,1,0|1,1,0]=4 101 B12R2.606 Cc1nc2cc(ccc2o1)N WXC04381 [0,1,0,0,1,0|2,0,0]=4 102 B12R2.606 c1c(cnc2c1oc(=O)[nH]2)Br WX637023 [0,1,0,0,1,0|2,0,0]=4 103 B12R2.606 c1cc2c(cc1Br)CC(=O)C2 WX633120 [0,1,0,0,1,0|1,0,0]=3 104 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 WX633065 [0,1,0,0,1,0|1,0,0]=3 105 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 WX633050 [0,1,0,0,1,0|1,0,0]=3 106 B12R2.606 c1cc2c(cc1Br)[nH]c(=O)[nH]2 WX633196 [0,1,0,0,1,0|2,0,0]=4 107 B12R2.606 c1cc2c(cc1Br)nc(o2)N WX609244 [0,1,0,0,1,0|2,0,0]=4 108 B12R2.606 c1cc2c(cc1Cl)nc(o2)Cl WX636226 [0,1,0,0,1,0|2,0,0]=4 109 B12R2.606 c1cc2c(cc1Cl)nc(o2)S WX636011 [0,1,0,0,1,0|1,1,0]=4 110 B12R2.606 c1cc2c(cc1Cl)oc(n2)Cl WX636227 [0,1,0,0,1,0|2,0,0]=4 111 B12R2.606 c1cc2c(cc1Cl)oc(n2)S WX632006 [0,1,0,0,1,0|1,1,0]=4 112 B12R2.606 c1cc2c(cc1F)CC(=O)N2 WX619027 [0,1,0,0,1,0|1,0,0]=3 113 B12R2.606 c1cc2c(cc1F)[nH]c(=O)o2 WX619212 [0,1,0,0,1,0|1,0,0]=3 114 B12R2.606 c1cc2c(cc1O)CC(=O)N2 WX649011 [0,1,0,0,1,0|1,0,0]=3 115 B14R2.4513 CN1c2cc(ccc2OCC1=O)Br WX633164 [0,2,0,0,0,0|2,0,0]=4 116 B14R2.134 COc1ccc2c(c1)CC(=O)OC2 WXC04116 [0,2,0,0,0,0|2,0,0]=4 117 B14R2.781 c1ccc2c(c1)CCC(O2)C(=O)O WXC00786 [0,2,0,0,0,0|0,0,1]=3 118 B10R1.15 N=C(\c1ccccc1)/OC WXC04573 [0,0,1,0,1,0|2,0,0]=4 119 B10R1.15 c1ccc(cc1)C(=O)CF WXFC0145 [0,0,1,0,1,0|1,0,0]=3 120 B10R1.15 c1ccnc(c1)C(=O)CBr WX631026 [0,0,1,0,1,0|2,0,0]=4 121 B10R1.15 c1cnccc1C(=O)CBr WX631022 [0,0,1,0,1,0|2,0,0]=4 122 B10R1.61 Cc1c(cccn1)C(=O)O WX614245 [0,0,1,0,1,0|2,0,0]=4 123 B10R1.61 Cc1cccnc1C(=O)O WX619068 [0,0,1,0,1,0|2,0,0]=4 124 B10R1.61 Cc1ccncc1C(=O)O WX614191 [0,0,1,0,1,0|2,0,0]=4 125 B10R1.61 Cc1cnccc1C(=O)O WX614130 [0,0,1,0,1,0|2,0,0]=4 126 B10R1.66 c1c([nH]cn1)CCC(=O)O WX610115 [0,0,1,0,1,0|2,0,0]=4 127 B10R1.66 c1c(cn[nH]1)CCC(=O)O WX613223 [0,0,1,0,1,0|2,0,0]=4 128 B10R1.66 c1c(nc[nH]1)CCC(=O)O WX612030 [0,0,1,0,1,0|2,0,0]=4 129 B10R1.66 c1cc([nH]c1)CCC(=O)O WX610154 [0,0,1,0,1,0|1,0,0]=3 130 B10R2.7 c1ccc2c(c1)CNC2 WX604071 [1,0,0,0,1,0|1,0,1]=4 131 B12R1.252 c1ccc(cc1)CNCC(=O)O WX610175 [0,0,1,0,0,1|0,0,0]=2 132 B12R1.252 c1ccc(cc1)NCCC(=O)O WX665022 [0,0,1,0,0,1|0,0,0]=2