0 B12R1.21 Cc1ccc(cc1)CCC(=O)O PPT [0,0,0,0,0,0|2,0,0]=2 1 B12R1.21 N=C(/N)\SCc1ccc(cc1)Cl F90 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.21 c1cc(ccc1/C=C/C(=O)O)O HC4 [0,0,0,0,0,0|1,0,2]=3 3 B12R1.21 c1cc(ccc1CCC(=O)N)Br TCF [0,0,0,0,0,0|2,0,0]=2 4 B12R1.21 c1cc(ccc1CCC(=O)N)O SGI [0,0,0,0,0,0|1,0,0]=1 5 B12R1.21 c1cc(ccc1CCC(=O)O)Cl S0W [0,0,0,0,0,0|2,0,0]=2 6 B12R1.21 c1cc(ccc1CCC(=O)O)N AHC [0,0,0,0,0,0|2,0,0]=2 7 B12R1.21 c1cc(ccc1CCC(=O)O)O HPP [0,0,0,0,0,0|1,0,0]=1 8 B12R1.21 c1cc(ccc1\C=C\[N+](=O)[O-])O P81 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.1 c1cc(ccc1CNC=O)I BAC [1,0,0,0,0,0|2,0,0]=3 10 B11R1.91 B(CCc1ccccc1)(O)O PBA [1,0,0,0,0,0|2,0,1]=4 11 B11R1.91 CC(=O)OCc1ccccc1 J0Z [1,0,0,0,0,0|1,0,0]=2 12 B11R1.91 C[C@H](CCc1ccccc1)N 4DD [1,0,0,0,0,0|1,0,1]=3 13 B11R1.91 c1ccc(cc1)/C=C/C(=O)O TCA [1,0,0,0,0,0|1,0,2]=4 14 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [1,0,0,0,0,0|1,0,0]=2 15 B11R1.91 c1ccc(cc1)CNC(=O)O PMQ [1,0,0,0,0,0|2,0,0]=3 16 B11R1.91 c1ccc(cc1)COC(=O)Cl PHQ [1,0,0,0,0,0|2,0,0]=3 17 B11R1.91 c1ccc(cc1)COC(=O)O BGG [1,0,0,0,0,0|2,0,0]=3 18 B11R1.91 c1ccc(cc1)OCC(=O)N PO6 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.91 c1ccc(cc1)OCC(=O)O 06Y [1,0,0,0,0,0|2,0,0]=3 20 B11R1.91 c1ccc(cc1)\C=C\C(=O)N DH6 [1,0,0,0,0,0|1,0,2]=4 21 B13R1.3 COc1ccc(cc1)CCC(=O)O ZGC [0,1,0,0,0,0|1,0,0]=2 22 B13R1.14 CO[C@@H](CCc1ccc(cc1)O)O 5K3 [0,1,0,0,0,0|0,0,2]=3 23 B13R1.14 N=C\C(=C)CCc1ccc(cc1)F MFG [0,1,0,0,0,0|2,0,1]=4 24 B13R1.133 Cc1ccc(cc1)C[C@@H](C(=O)O)N 4PH [0,1,0,0,0,0|2,0,0]=3 25 B13R1.133 c1cc(ccc1/C=C(\C(=O)[O-])/F)O FHC [0,1,0,0,0,0|1,0,2]=4 26 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)O ENO [0,1,0,0,0,0|1,0,1]=3 27 B13R1.133 c1cc(ccc1C[C@@H](C(=O)N)N)O TYC [0,1,0,0,0,0|1,0,0]=2 28 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Br 4BF [0,1,0,0,0,0|2,0,0]=3 29 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Cl 200 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)F PFF [0,1,0,0,0,0|2,0,0]=3 31 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)I PHI [0,1,0,0,0,0|2,0,0]=3 32 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)N HOX [0,1,0,0,0,0|2,0,0]=3 33 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O TYR [0,1,0,0,0,0|1,0,0]=2 34 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O TYR_LFOH [0,1,0,0,0,0|1,0,0]=2 35 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)[O-] TYR_LFOH_DHH [0,1,0,0,0,0|1,0,1]=3 36 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)O)O TYF [0,1,0,0,0,0|1,0,0]=2 37 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)S)I ISA [0,1,0,0,0,0|2,0,0]=3 38 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)[NH-])O TYR_LEO2H [0,1,0,0,0,0|1,0,0]=2 39 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)[NH-])[O-] TYR_LEO2H_DHH [0,1,0,0,0,0|1,0,1]=3 40 B13R1.133 c1cc(ccc1C[C@@H](C(=O)[O-])[NH-])O TYR_LEO2 [0,1,0,0,0,0|1,0,0]=2 41 B13R1.133 c1cc(ccc1C[C@@H](C(=O)[O-])[NH-])[O-] TYR_LEO2_DHH [0,1,0,0,0,0|1,0,1]=3 42 B13R1.133 c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])O TYR_LFZW [0,1,0,0,0,0|1,0,0]=2 43 B13R1.133 c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])[O-] TYR_LFZW_DHH [0,1,0,0,0,0|1,0,1]=3 44 B13R1.133 c1cc(ccc1C[C@@H](C(O)O)N)O TYW [0,1,0,0,0,0|1,0,2]=4 45 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)I IOY [0,1,0,0,0,0|2,0,0]=3 46 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)O DTY [0,1,0,0,0,0|1,0,0]=2 47 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)O)O 34H [0,1,0,0,0,0|1,0,0]=2 48 B13R1.133 c1cc(ccc1\C=C(/C(=O)O)\O)O EN1 [0,1,0,0,0,0|1,0,2]=4 49 B13R1.164 c1cc(c(cc1Cl)Cl)OCC(=O)O CFA [0,1,0,0,0,0|3,0,0]=4 50 B13R1.164 c1cc(c(cc1O)O)/C=C/C(=O)O SN1 [0,1,0,0,0,0|1,0,2]=4 51 B13R1.511 c1cc(c(cc1/C=C/C(=O)O)O)O DHC [0,1,0,0,0,0|1,0,2]=4 52 B13R2.155 c1cc2c(cc1Br)NC(=O)CN2 5GU [0,0,0,1,0,0|3,0,0]=4 53 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 KJU [0,0,0,1,0,0|3,0,0]=4 54 B13R2.155 c1cc2c(cc1O)NC(CC2)O Y6M [0,0,0,1,0,0|1,0,2]=4 55 B13R2.155 c1cc2c(cc1O)OC(=O)C=C2 07L [0,0,0,1,0,0|1,0,2]=4 56 B11R1.20 CC(=O)Nc1ccc(cc1)O NNS [0,0,0,0,1,0|1,0,0]=2 57 B11R1.20 CC(=O)Nc1ccc(cc1)O TYL [0,0,0,0,1,0|1,0,0]=2 58 B11R1.20 C[C@H](Cc1ccc(cc1)O)N AEG [0,0,0,0,1,0|1,0,1]=3 59 B11R1.20 c1cc(ccc1CC(=O)O)O 4HP [0,0,0,0,1,0|1,0,0]=2 60 B13R1.513 Cc1ccc(cc1)OCC[P@H](=O)[O-] 4BR [0,0,0,0,0,1|3,0,0]=4 61 B13R1.513 c1cc(ccc1SCCC(=O)O)Cl 4YZ [0,0,0,0,0,1|2,0,0]=3 62 B10R1.1 c1cc(ccc1CC#N)O 3AQ [2,0,0,0,0,0|1,0,1]=4 63 B10R1.1 c1cc(ccc1CCN)O AEF [2,0,0,0,0,0|1,0,0]=3 64 B10R1.1 c1cc(ccc1CCO)F 4FA [2,0,0,0,0,0|1,0,1]=4 65 B10R1.1 c1cc(ccc1CCO)O YRL [2,0,0,0,0,0|0,0,1]=3 66 B10R1.17 C=CCNc1ccccc1 NYL [2,0,0,0,0,0|1,0,1]=4 67 B10R1.17 CCCCc1ccccc1 N4B [2,0,0,0,0,0|0,0,1]=3 68 B10R1.17 c1ccc(cc1)CCC=O 3PL [2,0,0,0,0,0|0,0,0]=2 69 B10R1.17 c1ccc(cc1)CCCCl LT1 [2,0,0,0,0,0|1,0,1]=4 70 B10R1.17 c1ccc(cc1)CCC[NH3+] PRA [2,0,0,0,0,0|1,0,1]=4 71 B10R1.17 c1ccc(cc1)CNC=O BNF [2,0,0,0,0,0|1,0,0]=3 72 B10R1.17 c1ccc(cc1)CNC=S 9BE [2,0,0,0,0,0|1,1,0]=4 73 B10R1.17 c1ccc(cc1)COC=O BZO [2,0,0,0,0,0|1,0,0]=3 74 B10R1.17 c1ccc(cc1)COC=O CBZ [2,0,0,0,0,0|1,0,0]=3 75 B12R1.1 c1cc(ccc1CCNC=S)O 4MT [1,1,0,0,0,0|0,1,0]=3 76 B12R1.49 C[C@@H](Cc1ccc(cc1)O)NC 1WF [1,1,0,0,0,0|1,0,0]=3 77 B12R1.49 c1cc(ccc1C[C@@H](C=O)N)O TYB [1,1,0,0,0,0|0,0,0]=2 78 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O TYE [1,1,0,0,0,0|0,0,2]=4 79 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH-])O TYR_LL [1,1,0,0,0,0|0,0,1]=3 80 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH-])[O-] TYR_LL_DHH [1,1,0,0,0,0|0,0,2]=4 81 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH3+])O TYR_LSN3 [1,1,0,0,0,0|0,0,1]=3 82 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH3+])[O-] TYR_LSN3_DHH [1,1,0,0,0,0|0,0,2]=4 83 B12R1.43 CC(=O)[C@H](Cc1ccccc1)N HPC [1,1,0,0,0,0|0,0,0]=2 84 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O DPH [1,1,0,0,0,0|1,0,0]=3 85 B12R1.43 C[C@@H]([C@H](Cc1ccccc1)N)O PS0 [1,1,0,0,0,0|0,0,2]=4 86 B12R1.43 C[C@H]([C@H](Cc1ccccc1)N)O HPB [1,1,0,0,0,0|0,0,2]=4 87 B12R1.43 C[C@H]([C@H](Cc1ccccc1)N)O PR0 [1,1,0,0,0,0|0,0,2]=4 88 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N 1MH [1,1,0,0,0,0|2,0,0]=4 89 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O 1PY [1,1,0,0,0,0|1,0,1]=4 90 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O PPY [1,1,0,0,0,0|1,0,1]=4 91 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N NFA [1,1,0,0,0,0|1,0,0]=3 92 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)Cl WJ1 [1,1,0,0,0,0|1,0,0]=3 93 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE [1,1,0,0,0,0|1,0,0]=3 94 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE_LFOH [1,1,0,0,0,0|1,0,0]=3 95 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O HFA [1,1,0,0,0,0|1,0,0]=3 96 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LLA [1,1,0,0,0,0|1,0,0]=3 97 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LOF [1,1,0,0,0,0|1,0,0]=3 98 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)[NH-] PHE_LEO2H [1,1,0,0,0,0|1,0,0]=3 99 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH-] PHE_LEO2 [1,1,0,0,0,0|1,0,0]=3 100 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+] PHE_LFZW [1,1,0,0,0,0|1,0,0]=3 101 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl WJ2 [1,1,0,0,0,0|1,0,0]=3 102 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N DPN [1,1,0,0,0,0|1,0,0]=3 103 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O HF2 [1,1,0,0,0,0|1,0,0]=3 104 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 FBZ [1,1,0,0,0,0|1,0,0]=3 105 B12R1.107 c1ccc(cc1)C(CC(=O)O)N SFE [1,1,0,0,0,0|1,0,0]=3 106 B12R1.125 Cc1ccccc1CCC(=O)O 02Q [1,1,0,0,0,0|1,0,0]=3 107 B12R1.4 COc1ccc(cc1)CC(=O)N ZHZ [0,1,0,0,1,0|1,0,0]=3 108 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)Cl 05R [0,1,0,0,1,0|2,0,0]=4 109 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)O 3C4 [0,1,0,0,1,0|1,0,0]=3 110 B12R1.19 c1cc(c(cc1CC(=O)O)O)O DHY [0,1,0,0,1,0|1,0,0]=3 111 B12R1.19 c1cc(c(cc1CC(=O)O)O)O HAA [0,1,0,0,1,0|1,0,0]=3 112 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)O D4P [0,1,0,0,1,0|1,0,0]=3 113 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)O)O HHH [0,1,0,0,1,0|1,0,0]=3 114 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O DGH [0,1,0,0,1,0|1,0,0]=3 115 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O GHP [0,1,0,0,1,0|1,0,0]=3 116 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O NTY [0,1,0,0,1,0|1,0,0]=3 117 B12R1.233 c1cc(c(cc1O)O)SC(=O)O S24 [0,1,0,0,1,0|2,0,0]=4 118 B14R1.679 c1cc(ccc1CC[C@@H](C(=O)O)N)O 73O [0,1,0,0,0,1|1,0,0]=3 119 B14R1.698 c1cc(ccc1C[C@@H](CC(=O)O)N)O B3Y [0,1,0,0,0,1|1,0,0]=3 120 B14R1.3 C#Cc1ccc(cc1)C[C@@H](C(=O)O)N 5DW [0,2,0,0,0,0|2,0,0]=4 121 B14R1.3 COc1ccc(cc1)C[C@@H](C(=O)O)N 0A1 [0,2,0,0,0,0|1,0,0]=3 122 B14R1.3 c1cc(ccc1C[C@@H](C(=O)O)N)C#N 4CF [0,2,0,0,0,0|2,0,0]=4 123 B14R1.3 c1cc(ccc1C[C@H](C(=O)O)N)CN 1G8 [0,2,0,0,0,0|2,0,0]=4 124 B14R1.3653 Cc1cc(ccc1OC)CCC(=O)O ZGB [0,2,0,0,0,0|1,0,0]=3 125 B14R1.134 c1cc(ccc1C[C@@H]([C@@H](C=O)O)N)O OKJ [0,2,0,0,0,0|1,0,1]=4 126 B14R1.134 c1cc(ccc1C[C@@H]([C@H](CO)O)N)O 6VF [0,2,0,0,0,0|0,0,2]=4 127 B14R1.134 c1cc(ccc1C[C@H](C(=O)NO)N)I IPO [0,2,0,0,0,0|2,0,0]=4 128 B14R1.132 c1cc(ccc1[C@@H]([C@@H](C(=O)O)O)O)F 295 [0,2,0,0,0,0|2,0,0]=4 129 B14R1.132 c1cc(ccc1[C@H]([C@@H](C(=O)O)N)O)O OMX [0,2,0,0,0,0|1,0,0]=3 130 B14R1.132 c1cc(ccc1[C@H]([C@H](C(=O)O)N)O)O HTY [0,2,0,0,0,0|1,0,0]=3 131 B14R1.1019 c1cc(ccc1[C@@H](CC(=O)O)CN)Cl 2C0 [0,2,0,0,0,0|2,0,0]=4 132 B14R1.536 CN[C@@H](Cc1ccc(cc1)O)C(=O)O YNM [0,2,0,0,0,0|1,0,0]=3 133 B14R1.686 C1C=C(C(=O)C=C1C[C@@H](C(=O)O)N)O DPQ [0,2,0,0,0,0|1,0,1]=4 134 B14R1.686 N=C(/Cc1ccc(c(c1)O)O)\C(=O)O IM3 [0,2,0,0,0,0|1,0,1]=4 135 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)Br)O BYR [0,2,0,0,0,0|1,0,0]=3 136 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)Cl ZCL [0,2,0,0,0,0|2,0,0]=4 137 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)O 3CT [0,2,0,0,0,0|1,0,0]=3 138 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)F)F F2F [0,2,0,0,0,0|2,0,0]=4 139 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)F)O YOF [0,2,0,0,0,0|1,0,0]=3 140 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)I)O IYR [0,2,0,0,0,0|1,0,0]=3 141 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)N)O TY2 [0,2,0,0,0,0|1,0,0]=3 142 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)O)O DAH [0,2,0,0,0,0|1,0,0]=3 143 B14R1.686 c1cc(c(cc1C[C@@H](C(=O)O)N)O)O TY3 [0,2,0,0,0,0|1,0,0]=3 144 B14R1.686 c1cc(c(cc1C[C@H](C(=O)O)N)Cl)O 3MY [0,2,0,0,0,0|1,0,0]=3 145 B14R1.6049 c1cc(c(cc1O)O)C[C@@H](C(=O)O)N OTY [0,2,0,0,0,0|1,0,0]=3 146 B12R2.24 c1cc2c(cc1I)CNCC2 IDI [1,0,0,1,0,0|2,0,0]=4 147 B12R2.132 c1cc2c(cc1Cl)C(=O)NC2 1P7 [1,0,0,1,0,0|2,0,0]=4 148 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 1P8 [0,0,0,1,1,0|2,0,0]=4 149 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 ES2 [0,0,0,1,1,0|2,0,0]=4 150 B10R1.18 CC(=O)Oc1ccccc1 QY9 [1,0,0,0,1,0|1,0,0]=3 151 B10R1.18 CC(C)Cc1ccccc1 I4B [1,0,0,0,1,0|1,0,1]=4 152 B10R1.18 C[C@@H](Cc1ccccc1)N 1WE [1,0,0,0,1,0|1,0,1]=4 153 B10R1.18 C[C@H](Cc1ccccc1)N FRD [1,0,0,0,1,0|1,0,1]=4 154 B10R1.18 c1ccc(cc1)CC(=O)O PAC [1,0,0,0,1,0|1,0,0]=3 155 B10R1.18 c1ccc(cc1)NC(=O)N PHU [1,0,0,0,1,0|2,0,0]=4 156 B10R1.66 c1cc(oc1)CCC(=O)O 6O5 [1,0,0,0,1,0|2,0,0]=4 157 B10R1.13 CC(=O)c1ccc(cc1)Br PBP [0,0,0,0,2,0|1,0,0]=3 158 B10R1.13 CC(=O)c1ccc(cc1)O AC6 [0,0,0,0,2,0|0,0,0]=2 159 B10R1.13 Cc1ccc(cc1)C(=O)O 4MA [0,0,0,0,2,0|2,0,0]=4 160 B10R1.13 c1cc(ccc1C(=O)N)O HBD [0,0,0,0,2,0|1,0,0]=3 161 B10R1.13 c1cc(ccc1C(=O)O)Br Z82 [0,0,0,0,2,0|2,0,0]=4 162 B10R1.13 c1cc(ccc1C(=O)O)Cl 174 [0,0,0,0,2,0|2,0,0]=4 163 B10R1.13 c1cc(ccc1C(=O)O)F 1Y6 [0,0,0,0,2,0|2,0,0]=4 164 B10R1.13 c1cc(ccc1C(=O)O)N PAB [0,0,0,0,2,0|2,0,0]=4 165 B10R1.13 c1cc(ccc1C(=O)O)O PHB [0,0,0,0,2,0|1,0,0]=3 166 B10R1.13 c1cc(ccc1C(=O)O)[Hg] MBO [0,0,0,0,2,0|2,0,0]=4 167 B10R1.13 c1cc(ccc1[N+](=O)[O-])O NPO [0,0,0,0,2,0|2,0,0]=4 168 B12R1.252 CC(=O)NCCc1ccccc1 54W [1,0,0,0,0,1|0,0,0]=2 169 B12R1.252 c1ccc(cc1)CCCC(=O)O CLT [1,0,0,0,0,1|1,0,0]=3 170 B12R1.252 c1ccc(cc1)CNCC(=O)O 04Q [1,0,0,0,0,1|1,0,0]=3