0 B12R1.252 CC(=O)NCCc1ccccc1 54W [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 c1ccc(cc1)CCCC(=O)O CLT [0,0,0,0,0,0|0,0,0]=0 2 B12R1.252 c1ccc(cc1)CNCC(=O)O 04Q [0,0,0,0,0,0|1,0,0]=1 3 B12R1.252 c1ccc(cc1)SC=CC(=O)O 4ZD [0,0,0,0,0,0|1,0,2]=3 4 B11R1.28 CCCCCc1ccccc1 3H2 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.28 c1ccc(cc1)CCCCN PBN [1,0,0,0,0,0|1,0,1]=3 6 B11R1.28 c1ccc(cc1)CCNC=O EOA [1,0,0,0,0,0|1,0,0]=2 7 B11R1.28 c1ccc(cc1)CCNC=S LE2 [1,0,0,0,0,0|1,1,0]=3 8 B13R1.348 c1ccc(cc1)C[C@@H](CC(=O)O)N 3FB [0,1,0,0,0,0|0,0,0]=1 9 B13R1.348 c1ccc(cc1)C[C@H](N)NC(=O)O APE [0,1,0,0,0,0|1,0,0]=2 10 B13R1.351 CC(=O)[C@H](CCc1ccccc1)N HPQ [0,1,0,0,0,0|1,0,0]=2 11 B13R1.351 c1ccc(cc1)CC[C@@H](C(=O)O)N HPE [0,1,0,0,0,0|0,0,0]=1 12 B13R1.351 c1ccc(cc1)CC[C@H](C(=O)O)N HMF [0,1,0,0,0,0|0,0,0]=1 13 B13R1.513 Cc1ccc(cc1)OCC[P@H](=O)[O-] 4BR [0,1,0,0,0,0|2,0,1]=4 14 B13R1.513 c1cc(ccc1SCCC(=O)O)Cl 4YZ [0,1,0,0,0,0|1,0,0]=2 15 B13R1.718 c1ccc(cc1)CCCN(CO)O SB7 [0,1,0,0,0,0|1,0,1]=3 16 B13R1.3523 c1cc[n+](cc1)CCCS(=O)(=O)[O-] 1PS [0,1,0,0,0,0|2,0,1]=4 17 B13R1.3523 c1ccc(cc1)NCCS(=O)(=O)O 171 [0,1,0,0,0,0|2,0,0]=3 18 B13R2.72 c1ccc2c(c1)c(c[nH]2)C(=O)O ICO [0,0,0,1,0,0|1,0,2]=4 19 B11R1.91 B(CCc1ccccc1)(O)O PBA [0,0,0,0,1,0|1,0,1]=3 20 B11R1.91 CC(=O)OCc1ccccc1 J0Z [0,0,0,0,1,0|2,0,0]=3 21 B11R1.91 C[C@H](CCc1ccccc1)N 4DD [0,0,0,0,1,0|2,0,1]=4 22 B11R1.91 c1ccc(cc1)/C=C/C(=O)O TCA [0,0,0,0,1,0|0,0,2]=3 23 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [0,0,0,0,1,0|0,0,0]=1 24 B11R1.91 c1ccc(cc1)CNC(=O)O PMQ [0,0,0,0,1,0|1,0,0]=2 25 B11R1.91 c1ccc(cc1)COC(=O)Cl PHQ [0,0,0,0,1,0|2,0,0]=3 26 B11R1.91 c1ccc(cc1)COC(=O)O BGG [0,0,0,0,1,0|1,0,0]=2 27 B11R1.91 c1ccc(cc1)OCC(=O)N PO6 [0,0,0,0,1,0|2,0,0]=3 28 B11R1.91 c1ccc(cc1)OCC(=O)O 06Y [0,0,0,0,1,0|1,0,0]=2 29 B11R1.91 c1ccc(cc1)\C=C\C(=O)N DH6 [0,0,0,0,1,0|1,0,2]=4 30 B11R1.91 c1cnccc1/C=C/C(=O)O XIZ [0,0,0,0,1,0|1,0,2]=4 31 B11R1.172 c1cc(oc1)CCOC(=O)O FU0 [0,0,0,0,1,0|2,0,0]=3 32 B11R1.172 c1cc(sc1)CCCC(=O)O 4TB [0,0,0,0,1,0|1,0,0]=2 33 B13R1.337 c1ccc(cc1)CCCCC(=O)O 5PV [0,0,0,0,0,1|0,0,0]=1 34 B10R1.17 C=CCNc1ccccc1 NYL [2,0,0,0,0,0|1,0,1]=4 35 B10R1.17 CCCCc1ccccc1 N4B [2,0,0,0,0,0|0,0,1]=3 36 B10R1.17 c1ccc(cc1)CCC=O 3PL [2,0,0,0,0,0|0,0,0]=2 37 B10R1.17 c1ccc(cc1)CCCCl LT1 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.17 c1ccc(cc1)CCC[NH3+] PRA [2,0,0,0,0,0|1,0,0]=3 39 B10R1.17 c1ccc(cc1)CNC=O BNF [2,0,0,0,0,0|1,0,0]=3 40 B10R1.17 c1ccc(cc1)CNC=S 9BE [2,0,0,0,0,0|1,1,0]=4 41 B10R1.17 c1ccc(cc1)COC=O BZO [2,0,0,0,0,0|1,0,0]=3 42 B10R1.17 c1ccc(cc1)COC=O CBZ [2,0,0,0,0,0|1,0,0]=3 43 B10R1.17 c1ccc(cc1)OCCCl 258 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.17 c1ccc(cc1)OCCO 268 [2,0,0,0,0,0|1,0,0]=3 45 B12R1.1 c1cc(ccc1CCNC=S)O 4MT [1,1,0,0,0,0|1,1,0]=4 46 B12R1.8 CCCCCCc1ccccc1 3GZ [1,1,0,0,0,0|1,0,1]=4 47 B12R1.21 Cc1ccc(cc1)CCC(=O)O PPT [0,1,0,0,1,0|0,0,0]=2 48 B12R1.21 c1cc(ccc1/C=C/C(=O)O)O HC4 [0,1,0,0,1,0|0,0,2]=4 49 B12R1.21 c1cc(ccc1CCC(=O)N)Br TCF [0,1,0,0,1,0|1,0,0]=3 50 B12R1.21 c1cc(ccc1CCC(=O)N)O SGI [0,1,0,0,1,0|1,0,0]=3 51 B12R1.21 c1cc(ccc1CCC(=O)O)Cl S0W [0,1,0,0,1,0|0,0,0]=2 52 B12R1.21 c1cc(ccc1CCC(=O)O)N AHC [0,1,0,0,1,0|0,0,0]=2 53 B12R1.21 c1cc(ccc1CCC(=O)O)O HPP [0,1,0,0,1,0|0,0,0]=2 54 B12R1.43 B([C@H](Cc1ccccc1)N)(O)O B1F [0,1,0,0,1,0|1,0,1]=4 55 B12R1.43 B([C@H](Cc1ccccc1)N)(O)O B2F [0,1,0,0,1,0|1,0,1]=4 56 B12R1.43 CC(=O)[C@H](Cc1ccccc1)N HPC [0,1,0,0,1,0|1,0,0]=3 57 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O DPH [0,1,0,0,1,0|0,0,0]=2 58 B12R1.43 C[C@@H]([C@H](Cc1ccccc1)N)O PS0 [0,1,0,0,1,0|1,0,1]=4 59 B12R1.43 C[C@H]([C@H](Cc1ccccc1)N)O HPB [0,1,0,0,1,0|1,0,1]=4 60 B12R1.43 C[C@H]([C@H](Cc1ccccc1)N)O PR0 [0,1,0,0,1,0|1,0,1]=4 61 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O 4LV [0,1,0,0,1,0|0,0,2]=4 62 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N 1MH [0,1,0,0,1,0|1,0,0]=3 63 B12R1.43 c1ccc(cc1)/C=C(/C(=O)O)\N 23F [0,1,0,0,1,0|0,0,2]=4 64 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O 1PY [0,1,0,0,1,0|0,0,1]=3 65 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O PPY [0,1,0,0,1,0|0,0,1]=3 66 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N NFA [0,1,0,0,1,0|1,0,0]=3 67 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)Cl WJ1 [0,1,0,0,1,0|0,0,0]=2 68 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE [0,1,0,0,1,0|0,0,0]=2 69 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE_LFOH [0,1,0,0,1,0|0,0,0]=2 70 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O HFA [0,1,0,0,1,0|0,0,0]=2 71 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LLA [0,1,0,0,1,0|0,0,0]=2 72 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LOF [0,1,0,0,1,0|0,0,0]=2 73 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)[NH-] PHE_LEO2H [0,1,0,0,1,0|0,0,0]=2 74 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH-] PHE_LEO2 [0,1,0,0,1,0|0,0,1]=3 75 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+] PHE_LFZW [0,1,0,0,1,0|0,0,1]=3 76 B12R1.43 c1ccc(cc1)C[C@@H](C(O)O)N HPH [0,1,0,0,1,0|0,0,2]=4 77 B12R1.43 c1ccc(cc1)C[C@@H](C(O)O)N TPH [0,1,0,0,1,0|0,0,2]=4 78 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl WJ2 [0,1,0,0,1,0|0,0,0]=2 79 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N DPN [0,1,0,0,1,0|0,0,0]=2 80 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O HF2 [0,1,0,0,1,0|0,0,0]=2 81 B12R1.43 c1ccc(cc1)\C=C(\C(=O)O)/F 4LW [0,1,0,0,1,0|0,0,2]=4 82 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 FBZ [0,1,0,0,1,0|0,0,0]=2 83 B12R1.107 c1ccc(cc1)C(CC(=O)O)N SFE [0,1,0,0,1,0|0,0,0]=2 84 B12R1.125 Cc1ccccc1CCC(=O)O 02Q [0,1,0,0,1,0|0,0,0]=2 85 B12R1.125 c1ccc(c(c1)/C=C/C(=O)O)O 2HC [0,1,0,0,1,0|0,0,2]=4 86 B14R1.420 c1ccc(cc1)C(=O)NCCC(=O)O BYA [0,1,0,0,0,1|0,0,1]=3 87 B14R1.3331 c1ccc(cc1)CNCCS(=O)(=O)O D53 [0,1,0,0,0,1|1,0,0]=3 88 B14R1.6449 c1ccc(cc1)C=CC[C@@H](C(=O)O)N P4E [0,1,0,0,0,1|0,0,1]=3 89 B14R1.6449 c1ccc(cc1)CCCC(=O)C(=O)O KPV [0,1,0,0,0,1|0,0,0]=2 90 B14R1.6449 c1ccc(cc1)CCC[C@@H](C(=O)O)N PH8 [0,1,0,0,0,1|0,0,0]=2 91 B14R1.6449 c1ccc(cc1)COC[C@@H](C(=O)O)N SEM [0,1,0,0,0,1|0,0,0]=2 92 B14R1.6449 c1ccc(cc1)CSC[C@@H](C(=O)O)N BCS [0,1,0,0,0,1|0,0,0]=2 93 B14R1.6449 c1cnc(nc1)CCC[C@H](C(=O)O)N ZUK [0,1,0,0,0,1|2,0,0]=4 94 B14R1.6449 c1cnccc1SSC[C@@H](C(=O)O)N 4GJ [0,1,0,0,0,1|2,0,0]=4 95 B14R1.149 c1cc(cc(c1)O)C(=O)NCC(=O)O 3XH [0,2,0,0,0,0|1,0,1]=4 96 B14R1.160 c1ccc(c(c1)C(=O)CCC(=O)O)N KY1 [0,2,0,0,0,0|0,0,1]=3 97 B14R1.415 C[C@H](C(=O)O)NC(=O)c1ccccc1 S2D [0,2,0,0,0,0|1,0,1]=4 98 B14R1.415 c1ccc(cc1)C(=O)CC(=O)C(=O)O XI7 [0,2,0,0,0,0|0,0,2]=4 99 B14R1.415 c1ccc(cc1)C(=O)N[C@H](C(=O)O)O HH3 [0,2,0,0,0,0|1,0,1]=4 100 B14R1.678 C1=CC(=O)NC=C1C(=O)CCC(=O)O 6HY [0,2,0,0,0,0|1,0,1]=4 101 B14R1.1025 Cc1cccc(n1)CCCN(C=O)O SB9 [0,2,0,0,0,0|2,0,0]=4 102 B14R1.425 c1ccc(cc1)C[C@@H]([C@@H](C(=O)O)O)N 005 [0,2,0,0,0,0|0,0,0]=2 103 B14R1.425 c1ccc(cc1)C[C@@H]([C@H](C(=O)O)O)N 00M [0,2,0,0,0,0|0,0,0]=2 104 B14R1.425 c1ccc(cc1)C[C@H]([C@@H](C(=O)O)O)N 01B [0,2,0,0,0,0|0,0,0]=2 105 B14R1.698 c1cc(ccc1C[C@@H](CC(=O)O)N)O B3Y [0,2,0,0,0,0|0,0,0]=2 106 B14R1.1485 C[N@@+](Cc1ccccc1)(CC(=O)O)N MBH [0,2,0,0,0,0|1,0,0]=3 107 B14R1.679 C1=CC(C=CC1CC[C@@H](C(=O)O)N)N ACZ [0,2,0,0,0,0|0,0,2]=4 108 B14R1.679 C1=CC(C=CC1CC[C@@H](C(=O)O)N)N TZA [0,2,0,0,0,0|0,0,2]=4 109 B14R1.679 c1cc(ccc1CC[C@@H](C(=O)O)N)O 73O [0,2,0,0,0,0|0,0,0]=2 110 B14R1.3099 c1ccc(cc1)CC[C@H](N)P(=O)(O)O 2X0 [0,2,0,0,0,0|1,0,0]=3 111 B12R2.1 CN[C@@H]1CCc2c1cccc2 RM1 [1,0,0,1,0,0|2,0,0]=4 112 B12R2.2 c1ccc(cc1)[C@H]2CCCN2 96B [1,0,0,1,0,0|1,0,1]=4 113 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N 1Y5 [1,0,0,1,0,0|1,0,1]=4 114 B12R2.1081 c1ccc2c(c1)CCNC2=O JOZ [1,0,0,1,0,0|1,0,0]=3 115 B12R2.24 c1ccc2c(c1)C=CC(=O)O2 COU [0,0,0,1,1,0|0,0,2]=4 116 B14R2.2 c1ccc2c(c1)c(c[nH]2)CC(=O)O IAC [0,0,0,1,0,1|0,0,2]=4 117 B14R2.2 c1ccc2c(c1)c(no2)CC(=O)O NVU [0,0,0,1,0,1|1,0,1]=4 118 B14R2.300 c1cc2c(cc1Cl)CCN2C(=O)N 4TU [0,1,0,1,0,0|2,0,0]=4 119 B14R2.768 c1ccc2c(c1)cc(s2)CC(=O)O 2FX [0,1,0,1,0,0|0,0,2]=4 120 B14R2.781 c1ccc2c(c1)CCN(C2)C(=O)O 1X1 [0,1,0,1,0,0|1,0,0]=3 121 B14R2.781 c1ccc2c(c1)C[C@H](NC2)C(=O)O DI8 [0,1,0,1,0,0|1,0,0]=3 122 B14R2.781 c1ccc2c(c1)OC[C@@H](O2)C(=O)O 15N [0,1,0,1,0,0|1,0,0]=3 123 B14R2.781 c1ccc2c(c1)OC[C@H](O2)C(=O)O 0JD [0,1,0,1,0,0|1,0,0]=3 124 B14R2.738 C[C@@H]1CC(=O)Nc2ccccc2N1 98 [0,1,0,1,0,0|2,0,0]=4 125 B10R1.18 CC(=O)Oc1ccccc1 QY9 [0,0,0,0,2,0|2,0,0]=4 126 B10R1.18 c1ccc(cc1)CC(=O)O PAC [0,0,0,0,2,0|0,0,0]=2 127 B10R1.18 c1ccc(cc1)NC(=O)N PHU [0,0,0,0,2,0|2,0,0]=4 128 B10R1.66 c1cc(oc1)CCC(=O)O 6O5 [0,0,0,0,2,0|1,0,0]=3