0 B11R1.22 c1cc(ccc1[C@@H](C#N)O)O DHR [0,0,0,0,0,0|3,0,1]=4 1 B11R1.22 c1cc(ccc1[C@@H](CN)O)F 489 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.22 c1cc(ccc1[C@@H](CN)O)O OTS [0,0,0,0,0,0|3,0,1]=4 3 B11R1.22 c1cc(ccc1[C@H](CN)O)O OTR [0,0,0,0,0,0|3,0,1]=4 4 B10R1.1 c1cc(ccc1CC#N)O 3AQ [1,0,0,0,0,0|2,0,1]=4 5 B10R1.1 c1cc(ccc1CCN)O AEF [1,0,0,0,0,0|2,0,1]=4 6 B10R1.1 c1cc(ccc1CCO)F 4FA [1,0,0,0,0,0|1,0,2]=4 7 B10R1.1 c1cc(ccc1CCO)O YRL [1,0,0,0,0,0|1,0,2]=4 8 B10R1.13 CC(=O)c1ccc(cc1)Br PBP [1,0,0,0,0,0|1,0,1]=3 9 B10R1.13 CC(=O)c1ccc(cc1)O AC6 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.13 CC(C)c1ccc(cc1)N ISO [1,0,0,0,0,0|1,0,1]=3 11 B10R1.13 Cc1ccc(cc1)C(=O)O 4MA [1,0,0,0,0,0|1,0,1]=3 12 B10R1.13 Cc1ccc(cc1)C(C)C MML [1,0,0,0,0,0|0,0,1]=2 13 B10R1.13 Cc1ccc(cc1)[S@@](=O)O TOS [1,0,0,0,0,0|2,0,0]=3 14 B10R1.13 c1cc(ccc1C(=O)N)O HBD [1,0,0,0,0,0|2,0,1]=4 15 B10R1.13 c1cc(ccc1C(=O)O)Br Z82 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.13 c1cc(ccc1C(=O)O)Cl 174 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.13 c1cc(ccc1C(=O)O)F 1Y6 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.13 c1cc(ccc1C(=O)O)N PAB [1,0,0,0,0,0|2,0,1]=4 19 B10R1.13 c1cc(ccc1C(=O)O)O PHB [1,0,0,0,0,0|2,0,1]=4 20 B10R1.13 c1cc(ccc1C(=O)O)[Hg] MBO [1,0,0,0,0,0|2,0,1]=4 21 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] NIT [1,0,0,0,0,0|3,0,0]=4 22 B10R1.13 c1cc(ccc1[N+](=O)[O-])O NPO [1,0,0,0,0,0|3,0,0]=4 23 B10R1.15 C#C[C@H](c1ccccc1)O 1DJ [1,0,0,0,0,0|2,0,1]=4 24 B10R1.15 CC[C@@H](C)c1ccccc1 3GY [1,0,0,0,0,0|1,0,1]=3 25 B10R1.15 C[C@H](C=O)c1ccccc1 1LP [1,0,0,0,0,0|0,0,0]=1 26 B10R1.15 c1ccc(cc1)N(N=O)O CFI [1,0,0,0,0,0|3,0,0]=4 27 B10R1.15 c1ccc(cc1)[C@@H](C#N)O MNN [1,0,0,0,0,0|2,0,1]=4 28 B10R1.15 c1ccc(cc1)[C@H](C#N)O MXN [1,0,0,0,0,0|2,0,1]=4 29 B10R1.15 c1ccc(cc1)[C@H](CO)O FEH [1,0,0,0,0,0|1,0,2]=4 30 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)O D4P [0,1,0,0,0,0|2,0,0]=3 31 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)O)O HHH [0,1,0,0,0,0|2,0,0]=3 32 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O DGH [0,1,0,0,0,0|2,0,0]=3 33 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O GHP [0,1,0,0,0,0|2,0,0]=3 34 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O NTY [0,1,0,0,0,0|2,0,0]=3 35 B12R1.367 CN(c1ccc(c(c1)O)O)N=O PQR [0,1,0,0,0,0|3,0,0]=4 36 B12R1.49 C[C@@H](Cc1ccc(cc1)O)NC 1WF [0,0,0,0,0,1|3,0,0]=4 37 B12R1.49 c1cc(ccc1C[C@@H](C=O)N)O TYB [0,0,0,0,0,1|2,0,0]=3 38 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH-])O TYR_LL [0,0,0,0,0,1|2,0,1]=4 39 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH-])[O-] TYR_LL_DHH [0,0,0,0,0,1|2,0,1]=4 40 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH3+])O TYR_LSN3 [0,0,0,0,0,1|2,0,1]=4 41 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH3+])[O-] TYR_LSN3_DHH [0,0,0,0,0,1|2,0,1]=4 42 B9R1.1 C=Cc1ccc(cc1)O 4VP [2,0,0,0,0,0|1,0,1]=4 43 B9R1.1 CCc1ccc(cc1)O ETY [2,0,0,0,0,0|1,0,0]=3 44 B9R1.1 COc1ccc(cc1)Br BOP [2,0,0,0,0,0|2,0,0]=4 45 B9R1.1 COc1ccc(cc1)O 4KS [2,0,0,0,0,0|2,0,0]=4 46 B9R1.1 CSc1ccc(cc1)N 4JM [2,0,0,0,0,0|2,0,0]=4 47 B9R1.1 C[n+]1ccc(cc1)CN NNK [2,0,0,0,0,0|2,0,0]=4 48 B9R1.1 Cc1ccc(cc1)CN 02N [2,0,0,0,0,0|1,0,0]=3 49 B9R1.1 c1cc(ccc1C=O)O HBA [2,0,0,0,0,0|1,0,0]=3 50 B9R1.1 c1cc(ccc1CN)Br PZH [2,0,0,0,0,0|2,0,0]=4 51 B9R1.1 c1cc(ccc1CN)Cl C2B [2,0,0,0,0,0|2,0,0]=4 52 B9R1.1 c1cc(ccc1CN)N 4ZY [2,0,0,0,0,0|2,0,0]=4 53 B9R1.1 c1cc(ccc1CO)Br BRB [2,0,0,0,0,0|1,0,1]=4 54 B9R1.1 c1cc(ccc1CO)Cl 4JL [2,0,0,0,0,0|1,0,1]=4 55 B9R1.1 c1cc(ccc1C[NH3+])F FBA [2,0,0,0,0,0|2,0,0]=4 56 B9R1.8 CCCc1ccccc1 3H0 [2,0,0,0,0,0|1,0,1]=4 57 B9R1.8 CNCc1ccccc1 271 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.8 CSCc1ccccc1 PTF [2,0,0,0,0,0|2,0,0]=4 59 B9R1.8 c1ccc(cc1)CC=O HY1 [2,0,0,0,0,0|0,0,0]=2 60 B9R1.8 c1ccc(cc1)CCCl CEE [2,0,0,0,0,0|1,0,1]=4 61 B9R1.8 c1ccc(cc1)CCO PEL [2,0,0,0,0,0|0,0,2]=4 62 B9R1.8 c1ccc(cc1)CC[NH3+] PEA [2,0,0,0,0,0|1,0,1]=4 63 B9R1.8 c1ccc(cc1)CNN BZZ [2,0,0,0,0,0|2,0,0]=4 64 B9R1.8 c1ccc(cc1)CON OBZ [2,0,0,0,0,0|2,0,0]=4 65 B9R1.8 c1ccc(cc1)NC=O FAN [2,0,0,0,0,0|1,0,0]=3 66 B9R1.8 c1ccc(cc1)NC=S 0FI [2,0,0,0,0,0|1,1,0]=4 67 B9R1.6 CC(=O)c1ccccc1 AC0 [2,0,0,0,0,0|0,0,1]=3 68 B9R1.6 C[C@@H](c1ccccc1)N 98B [2,0,0,0,0,0|1,0,0]=3 69 B9R1.6 C[C@@H](c1ccccc1)O SS1 [2,0,0,0,0,0|0,0,1]=3 70 B9R1.6 C[C@H](c1ccccc1)N QSC [2,0,0,0,0,0|1,0,0]=3 71 B9R1.6 C[C@H](c1ccccc1)O SS2 [2,0,0,0,0,0|0,0,1]=3 72 B9R1.6 c1ccc(cc1)C(=O)N UNU [2,0,0,0,0,0|1,0,1]=4 73 B9R1.6 c1ccc(cc1)C(=O)O BEZ [2,0,0,0,0,0|1,0,1]=4 74 B9R1.6 c1ccc(cc1)C(=O)O BOX [2,0,0,0,0,0|1,0,1]=4 75 B9R1.6 c1ccc(cc1)[N+](=O)[O-] NBZ [2,0,0,0,0,0|2,0,0]=4 76 B11R1.1 c1cc(ccc1CNC=O)I BAC [1,1,0,0,0,0|1,0,0]=3 77 B11R1.20 CC(=O)Nc1ccc(cc1)O NNS [1,1,0,0,0,0|2,0,0]=4 78 B11R1.20 CC(=O)Nc1ccc(cc1)O TYL [1,1,0,0,0,0|2,0,0]=4 79 B11R1.20 c1cc(ccc1CC(=O)O)O 4HP [1,1,0,0,0,0|1,0,0]=3 80 B11R1.83 COc1ccc(cc1)CCN ZHH [1,1,0,0,0,0|1,0,1]=4 81 B11R1.3 CCc1ccc(cc1)C(=O)O EGM [1,1,0,0,0,0|1,0,1]=4 82 B11R1.3 COc1ccc(cc1)C(=O)O ANN [1,1,0,0,0,0|1,0,1]=4 83 B11R1.3 COc1ccc(cc1)S(=O)=O MSB [1,1,0,0,0,0|2,0,0]=4 84 B11R1.3 CSc1ccc(cc1)[N+](=O)[O-] 259 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.3 c1cc(ccc1CBr)C(=O)O 4AY [1,1,0,0,0,0|1,0,1]=4 86 B11R1.3 c1cc(ccc1CN)C(=O)O 4AZ [1,1,0,0,0,0|1,0,1]=4 87 B11R1.3 c1cc(ccc1CN)[N+](=O)[O-] PNZ [1,1,0,0,0,0|2,0,0]=4 88 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] BPN [1,1,0,0,0,0|2,0,0]=4 89 B11R1.3 c1cc(ccc1CS)[N+](=O)O 4NM [1,1,0,0,0,0|2,0,0]=4 90 B11R1.19 Cc1ccc(cc1)S(=O)(=O)N 4J8 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TSU [1,1,0,0,0,0|2,0,0]=4 92 B11R1.21 Cc1cc(ccc1O)C(=O)C YTP [1,1,0,0,0,0|1,0,1]=4 93 B11R1.21 Cc1ccc(cc1O)C(=C)C 0WV [1,1,0,0,0,0|0,0,1]=3 94 B11R1.166 Cc1ccc(c(c1)N)C(=O)O 4M0 [1,1,0,0,0,0|1,0,1]=4 95 B11R1.166 Cc1ccc(c(c1)O)C(C)C IPB [1,1,0,0,0,0|0,0,1]=3 96 B11R1.36 C[C@H](c1ccccc1)C(=O)O GRO [1,1,0,0,0,0|0,0,0]=2 97 B11R1.36 c1ccc(cc1)C(=O)C(=O)O 173 [1,1,0,0,0,0|1,0,1]=4 98 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N 004 [1,1,0,0,0,0|1,0,0]=3 99 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O SMN [1,1,0,0,0,0|1,0,0]=3 100 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PG9 [1,1,0,0,0,0|1,0,0]=3 101 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PGY [1,1,0,0,0,0|1,0,0]=3 102 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O RMN [1,1,0,0,0,0|1,0,0]=3 103 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)S RTD [1,1,0,0,0,0|1,0,0]=3 104 B13R1.133 Cc1ccc(cc1)C[C@@H](C(=O)O)N 4PH [0,1,0,0,0,1|1,0,0]=3 105 B13R1.133 c1cc(ccc1C[C@@H](C(=O)N)N)O TYC [0,1,0,0,0,1|2,0,0]=4 106 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Br 4BF [0,1,0,0,0,1|2,0,0]=4 107 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Cl 200 [0,1,0,0,0,1|2,0,0]=4 108 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)F PFF [0,1,0,0,0,1|2,0,0]=4 109 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)I PHI [0,1,0,0,0,1|2,0,0]=4 110 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)N HOX [0,1,0,0,0,1|2,0,0]=4 111 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O TYR [0,1,0,0,0,1|2,0,0]=4 112 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O TYR_LFOH [0,1,0,0,0,1|2,0,0]=4 113 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)[O-] TYR_LFOH_DHH [0,1,0,0,0,1|2,0,0]=4 114 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)O)O TYF [0,1,0,0,0,1|2,0,0]=4 115 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)S)I ISA [0,1,0,0,0,1|2,0,0]=4 116 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)[NH-])O TYR_LEO2H [0,1,0,0,0,1|2,0,0]=4 117 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)[NH-])[O-] TYR_LEO2H_DHH [0,1,0,0,0,1|2,0,0]=4 118 B13R1.133 c1cc(ccc1C[C@@H](C(=O)[O-])[NH-])O TYR_LEO2 [0,1,0,0,0,1|2,0,0]=4 119 B13R1.133 c1cc(ccc1C[C@@H](C(=O)[O-])[NH-])[O-] TYR_LEO2_DHH [0,1,0,0,0,1|2,0,0]=4 120 B13R1.133 c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])O TYR_LFZW [0,1,0,0,0,1|2,0,0]=4 121 B13R1.133 c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])[O-] TYR_LFZW_DHH [0,1,0,0,0,1|2,0,0]=4 122 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)I IOY [0,1,0,0,0,1|2,0,0]=4 123 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)O DTY [0,1,0,0,0,1|2,0,0]=4 124 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)O)O 34H [0,1,0,0,0,1|2,0,0]=4 125 B13R1.706 CN[C@@H](c1ccc(cc1)O)C(=O)O 5PG [0,2,0,0,0,0|1,0,0]=3 126 B13R1.706 CN[C@H](c1ccc(cc1)O)C(=O)O HGM [0,2,0,0,0,0|1,0,0]=3 127 B13R1.132 C\C(=C/C(=O)O)\c1ccc(cc1)Cl 6ZX [0,2,0,0,0,0|1,0,1]=4 128 B13R1.510 c1cc(c(cc1[C@@H](C(=O)O)N)Cl)O CHP [0,2,0,0,0,0|2,0,0]=4 129 B13R1.510 c1cc(c(cc1[C@H](C(=O)O)N)Cl)O 0UZ [0,2,0,0,0,0|2,0,0]=4 130 B13R1.510 c1cc(c(cc1[C@H](C(=O)O)N)O)O NTR [0,2,0,0,0,0|2,0,0]=4 131 B11R2.36 Cc1ccc2c(c1)[nH]cn2 5MB [1,0,0,1,0,0|2,0,0]=4 132 B11R2.36 Cc1ccc2c(c1)cc[nH]2 5MI [1,0,0,1,0,0|2,0,0]=4 133 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N GJZ [1,0,0,1,0,0|1,0,1]=4 134 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2[NH3+] TPA [1,0,0,1,0,0|1,0,1]=4 135 B11R1.40 C[C@@H](Cc1ccccc1)NC B40 [1,0,0,0,0,1|2,0,0]=4 136 B11R1.40 c1ccc(cc1)C[C@@H](C=O)N PHA [1,0,0,0,0,1|1,0,0]=3 137 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH-] PHE_LL [1,0,0,0,0,1|1,0,1]=4 138 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH3+] PHE_LSN3 [1,0,0,0,0,1|1,0,1]=4