0 B11R1.166 C1=C(C(=NC(=O)N1)N)C(=O)O 1RT [0,0,0,0,0,0|3,0,1]=4 1 B11R1.166 C1=C(C(=O)NC(=O)N1)C(=O)O 5CU [0,0,0,0,0,0|2,0,2]=4 2 B11R1.166 Cc1ccc(c(c1)N)C(=O)O 4M0 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.166 Cc1ccc(c(c1)O)C(C)C IPB [0,0,0,0,0,0|3,0,1]=4 4 B11R1.166 c1cc(c(cc1F)N)C(=O)O FA0 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.166 c1cc(c(cc1N)O)C(=O)O BHA [0,0,0,0,0,0|1,0,0]=1 6 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] FNN [0,0,0,0,0,0|2,0,1]=3 7 B11R1.166 c1cc(c(cc1O)O)C(=O)O DOB [0,0,0,0,0,0|0,0,0]=0 8 B10R1.13 CC(=O)c1ccc(cc1)Br PBP [1,0,0,0,0,0|2,0,0]=3 9 B10R1.13 CC(=O)c1ccc(cc1)O AC6 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.13 Cc1ccc(cc1)C(=O)O 4MA [1,0,0,0,0,0|1,0,0]=2 11 B10R1.13 Cc1ccc(cc1)[S@@](=O)O TOS [1,0,0,0,0,0|2,0,0]=3 12 B10R1.13 c1cc(ccc1C(=O)N)O HBD [1,0,0,0,0,0|1,0,0]=2 13 B10R1.13 c1cc(ccc1C(=O)O)Br Z82 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.13 c1cc(ccc1C(=O)O)Cl 174 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.13 c1cc(ccc1C(=O)O)F 1Y6 [1,0,0,0,0,0|1,0,0]=2 16 B10R1.13 c1cc(ccc1C(=O)O)N PAB [1,0,0,0,0,0|1,0,0]=2 17 B10R1.13 c1cc(ccc1C(=O)O)O PHB [1,0,0,0,0,0|0,0,0]=1 18 B10R1.13 c1cc(ccc1C(=O)O)[Hg] MBO [1,0,0,0,0,0|1,0,0]=2 19 B10R1.13 c1cc(ccc1C(=[NH2+])N)N PBZ [1,0,0,0,0,0|3,0,0]=4 20 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] NIT [1,0,0,0,0,0|2,0,1]=4 21 B10R1.13 c1cc(ccc1[N+](=O)[O-])O NPO [1,0,0,0,0,0|1,0,1]=3 22 B10R1.13 c1cc(ncc1C(=O)N)N 4FG [1,0,0,0,0,0|3,0,0]=4 23 B10R1.25 c1cc(c(cc1F)F)CO 24B [1,0,0,0,0,0|2,0,1]=4 24 B10R1.25 c1cc(c(cc1O)F)C#N 8H8 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.25 c1cc(c(cc1O)O)SO TH7 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.61 C1=CNC(=O)C(=C1)C(=O)O ES6 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.61 CC(=O)c1ccccc1N VNJ [1,0,0,0,0,0|2,0,0]=3 28 B10R1.61 CC(C)c1ccccc1O IP0 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.61 Cc1ccccc1C(=O)O 3SK [1,0,0,0,0,0|1,0,0]=2 30 B10R1.61 c1c(c(ncn1)C(=O)O)Cl 6SM [1,0,0,0,0,0|3,0,0]=4 31 B10R1.61 c1cc(c(nc1)C(=O)O)O MHW [1,0,0,0,0,0|1,0,0]=2 32 B10R1.61 c1cc(c(nc1)C(=O)O)S 1WD [1,0,0,0,0,0|1,1,0]=3 33 B10R1.61 c1ccc(c(c1)C(=O)N)N 2AE [1,0,0,0,0,0|2,0,0]=3 34 B10R1.61 c1ccc(c(c1)C(=O)N)O OHB [1,0,0,0,0,0|1,0,0]=2 35 B10R1.61 c1ccc(c(c1)C(=O)O)F 3U4 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.61 c1ccc(c(c1)C(=O)O)N 6AB [1,0,0,0,0,0|1,0,0]=2 37 B10R1.61 c1ccc(c(c1)C(=O)O)N BE2 [1,0,0,0,0,0|1,0,0]=2 38 B10R1.61 c1ccc(c(c1)C(=O)O)O SAL [1,0,0,0,0,0|0,0,0]=1 39 B10R1.61 c1ccc(c(c1)C(=O)O)S JKE [1,0,0,0,0,0|0,1,0]=2 40 B10R1.61 c1ccc(c(c1)[N+](=O)O)O CG3 [1,0,0,0,0,0|1,0,0]=2 41 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O OPO [1,0,0,0,0,0|1,0,1]=3 42 B10R1.61 c1cncc(c1C(=O)O)N 4SV [1,0,0,0,0,0|2,0,0]=3 43 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O 4Z4 [0,1,0,0,0,0|2,0,0]=3 44 B12R1.893 c1cc(c(c(c1C(=O)O)N)O)Cl 4AA [0,1,0,0,0,0|2,0,0]=3 45 B12R1.1000 Cc1cc(cc(c1C(=O)O)O)O 6X7 [0,1,0,0,0,0|0,0,0]=1 46 B12R1.1703 CCC(=O)c1ccc(cc1O)O 2FY [0,1,0,0,0,0|1,0,0]=2 47 B12R1.1703 COC(=O)c1ccc(cc1N)Cl MS9 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.1703 C\C(=N/O)\c1ccc(cc1O)O ODO [0,1,0,0,0,0|1,0,0]=2 49 B12R2.612 Cc1c2ccc(cc2[nH]n1)O XQ0 [0,0,0,1,0,0|3,0,0]=4 50 B10R1.59 Cn1cc(cc1C(=O)O)N PYB [0,0,0,0,1,0|3,0,0]=4 51 B12R1.233 c1cc(c(cc1O)O)SC(=O)O S24 [0,0,0,0,0,1|0,0,0]=1 52 B9R0.2 C\C=C\C=C\C=C\C(=O)O OTT [1,0,1,0,0,0|1,0,0]=3 53 B9R1.1 C=Cc1ccc(cc1)O 4VP [2,0,0,0,0,0|1,0,0]=3 54 B9R1.1 CCc1ccc(cc1)O ETY [2,0,0,0,0,0|1,0,1]=4 55 B9R1.1 COc1ccc(cc1)O 4KS [2,0,0,0,0,0|2,0,0]=4 56 B9R1.1 c1cc(ccc1C#N)O H8N [2,0,0,0,0,0|1,0,1]=4 57 B9R1.1 c1cc(ccc1C=O)O HBA [2,0,0,0,0,0|0,0,0]=2 58 B9R1.1 c1cc(ccc1CO)Br BRB [2,0,0,0,0,0|1,0,1]=4 59 B9R1.1 c1cc(ccc1CO)Cl 4JL [2,0,0,0,0,0|1,0,1]=4 60 B9R1.6 B(c1ccccc1)(O)O PBC [2,0,0,0,0,0|1,0,1]=4 61 B9R1.6 CC(=O)c1ccccc1 AC0 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.6 C[C@@H](c1ccccc1)O SS1 [2,0,0,0,0,0|1,0,1]=4 63 B9R1.6 C[C@H](c1ccccc1)O SS2 [2,0,0,0,0,0|1,0,1]=4 64 B9R1.6 N=C(/c1ccccc1)\N BEN [2,0,0,0,0,0|2,0,0]=4 65 B9R1.6 c1cc(cnc1)C(=O)N NCA [2,0,0,0,0,0|2,0,0]=4 66 B9R1.6 c1cc(cnc1)C(=O)O NIO [2,0,0,0,0,0|1,0,0]=3 67 B9R1.6 c1ccc(cc1)C(=N)N BDN [2,0,0,0,0,0|2,0,0]=4 68 B9R1.6 c1ccc(cc1)C(=O)N UNU [2,0,0,0,0,0|1,0,0]=3 69 B9R1.6 c1ccc(cc1)C(=O)O BEZ [2,0,0,0,0,0|0,0,0]=2 70 B9R1.6 c1ccc(cc1)C(=O)O BOX [2,0,0,0,0,0|0,0,0]=2 71 B9R1.6 c1ccc(cc1)C(=[NH2+])N BAM [2,0,0,0,0,0|2,0,0]=4 72 B9R1.6 c1ccc(cc1)[N+](=O)[O-] NBZ [2,0,0,0,0,0|1,0,1]=4 73 B9R1.6 c1ccnc(c1)C(=O)N WM1 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.6 c1ccnc(c1)C(=O)O 6PC [2,0,0,0,0,0|1,0,0]=3 75 B9R1.6 c1cnc(cn1)C(=O)O VGL [2,0,0,0,0,0|2,0,0]=4 76 B9R1.15 CCc1ccccc1O JZ1 [2,0,0,0,0,0|1,0,1]=4 77 B9R1.15 COc1ccccc1O JZ3 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.15 c1ccc(c(c1)C#N)O 0R0 [2,0,0,0,0,0|1,0,1]=4 79 B9R1.15 c1ccc(c(c1)C=O)O NK [2,0,0,0,0,0|0,0,0]=2 80 B9R1.15 c1ccc(c(c1)CO)Br 4HR [2,0,0,0,0,0|1,0,1]=4 81 B9R1.15 c1ccc(c(c1)CO)N SOA [2,0,0,0,0,0|1,0,1]=4 82 B9R1.15 c1ccc(c(c1)CO)O SA9 [2,0,0,0,0,0|0,0,1]=3 83 B9R1.69 C1=C(C(=O)NC=C1Br)O 27Y [2,0,0,0,0,0|2,0,0]=4 84 B9R1.69 Cc1cc(ccc1Cl)O 43M [2,0,0,0,0,0|2,0,0]=4 85 B9R1.69 Cc1cc(ccc1O)N 4ZE [2,0,0,0,0,0|2,0,0]=4 86 B9R1.69 Cc1ccc(c(c1)N)O 2AC [2,0,0,0,0,0|2,0,0]=4 87 B9R1.69 Cc1ccc(c(c1)O)O MCT [2,0,0,0,0,0|1,0,0]=3 88 B9R1.69 Cc1ccc(c(c1)S)O HT4 [2,0,0,0,0,0|1,1,0]=4 89 B9R1.69 Cc1ccc(cc1C)O 2MP [2,0,0,0,0,0|1,0,1]=4 90 B9R1.69 Cc1ccc(cc1O)Cl JZ2 [2,0,0,0,0,0|1,0,1]=4 91 B9R1.69 c1cc(c(cc1Cl)Cl)O 5JC [2,0,0,0,0,0|2,0,0]=4 92 B9R1.69 c1cc(c(cc1Cl)O)O 4CL [2,0,0,0,0,0|1,0,0]=3 93 B9R1.69 c1cc(c(cc1F)O)O 3N8 [2,0,0,0,0,0|1,0,0]=3 94 B9R1.69 c1cc(c(cc1O)Cl)Cl 5JD [2,0,0,0,0,0|2,0,0]=4 95 B9R1.69 c1cc(c(cc1O)O)O HQN [2,0,0,0,0,0|0,0,0]=2 96 B9R1.69 c1cc(c(cc1O)O)S TH0 [2,0,0,0,0,0|0,1,0]=3 97 B11R1.3 CCc1ccc(cc1)C(=O)O EGM [1,1,0,0,0,0|1,0,0]=3 98 B11R1.3 COc1ccc(cc1)C(=O)O ANN [1,1,0,0,0,0|0,0,0]=2 99 B11R1.3 COc1ccc(cc1)S(=O)=O MSB [1,1,0,0,0,0|1,0,1]=4 100 B11R1.3 N=C(/c1ccc(cc1)CO)\N 4BZ [1,1,0,0,0,0|2,0,0]=4 101 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl BE7 [1,1,0,0,0,0|1,0,0]=3 102 B11R1.3 c1cc(ccc1C(=O)O)[Hg]O HGB [1,1,0,0,0,0|0,0,0]=2 103 B11R1.3 c1cc(ccc1CBr)C(=O)O 4AY [1,1,0,0,0,0|1,0,0]=3 104 B11R1.3 c1cc(ccc1CN)C(=O)O 4AZ [1,1,0,0,0,0|1,0,0]=3 105 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] BPN [1,1,0,0,0,0|1,0,1]=4 106 B11R1.3 c1cc(ccc1CS)[N+](=O)O 4NM [1,1,0,0,0,0|1,1,0]=4 107 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TSU [1,1,0,0,0,0|2,0,0]=4 108 B11R1.19 c1cc(ccc1N)[As](=O)(O)O ASR [1,1,0,0,0,0|2,0,0]=4 109 B11R1.19 c1cc(ccc1S(=O)(=O)O)[Hg] PMB [1,1,0,0,0,0|2,0,0]=4 110 B11R1.21 Cc1c(cc(cn1)C(=O)O)O 3HM [1,1,0,0,0,0|2,0,0]=4 111 B11R1.21 Cc1cc(ccc1Br)C(=O)O 0GF [1,1,0,0,0,0|1,0,0]=3 112 B11R1.21 Cc1cc(ccc1O)C(=O)C YTP [1,1,0,0,0,0|1,0,0]=3 113 B11R1.21 c1c[n+](c(cc1C(=O)O)O)[O-] INO [1,1,0,0,0,0|1,0,1]=4 114 B11R1.21 c1cc([n+](cc1C(=O)O)[O-])O NNO [1,1,0,0,0,0|1,0,0]=3 115 B11R1.21 c1cc(c(cc1C(=O)N)F)F 2HO [1,1,0,0,0,0|2,0,0]=4 116 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl 34Z [1,1,0,0,0,0|1,0,0]=3 117 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O CHB [1,1,0,0,0,0|0,0,0]=2 118 B11R1.21 c1cc(c(cc1C(=O)O)F)O FHB [1,1,0,0,0,0|0,0,0]=2 119 B11R1.21 c1cc(c(cc1C(=O)O)I)O IHB [1,1,0,0,0,0|0,0,0]=2 120 B11R1.21 c1cc(c(cc1C(=O)O)O)N 4A3 [1,1,0,0,0,0|1,0,0]=3 121 B11R1.21 c1cc(c(cc1C(=O)O)O)O DHB [1,1,0,0,0,0|0,0,0]=2 122 B11R1.21 c1cc(c(cc1N(=O)=O)Cl)O P9P [1,1,0,0,0,0|1,0,1]=4 123 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O 4NC [1,1,0,0,0,0|1,0,1]=4 124 B11R1.22 COC(=O)c1ccc(cc1)O MPB [1,1,0,0,0,0|0,0,0]=2 125 B11R1.22 c1cc(ccc1C(=O)CN)Br 47A [1,1,0,0,0,0|2,0,0]=4 126 B11R1.22 c1cc(ccc1C(=O)NN)O HDH [1,1,0,0,0,0|1,0,0]=3 127 B11R1.22 c1cc(ccc1[C@@H](C#N)O)O DHR [1,1,0,0,0,0|1,0,1]=4 128 B11R1.22 c1cc(ccc1[C@@H](CN)O)O OTS [1,1,0,0,0,0|1,0,1]=4 129 B11R1.22 c1cc(ccc1[C@H](CN)O)O OTR [1,1,0,0,0,0|1,0,1]=4 130 B11R1.22 c1cc(ccc1\C(=N\O)\N)F ZYB [1,1,0,0,0,0|2,0,0]=4 131 B11R1.279 COc1ccc(c(c1)O)CN HV7 [1,1,0,0,0,0|1,0,1]=4 132 B11R1.279 COc1ccc(cc1O)CO 2A9 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.53 COc1ccccc1C(=O)O 71F [1,1,0,0,0,0|0,0,0]=2 134 B11R1.156 Cc1cccc(c1C(=O)O)N 6M1 [1,1,0,0,0,0|1,0,0]=3 135 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N 6F0 [1,1,0,0,0,0|1,0,0]=3 136 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O GRE [1,1,0,0,0,0|0,0,0]=2 137 B11R1.156 c1cc(c(c(c1)O)[N+](=O)[O-])O 38L [1,1,0,0,0,0|1,0,1]=4 138 B11R1.159 Cc1c(cccc1O)C(=O)O PF0 [1,1,0,0,0,0|1,0,0]=3 139 B11R1.159 Cc1cccc(c1N)C(=O)O 3M0 [1,1,0,0,0,0|1,0,0]=3 140 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O 3F0 [1,1,0,0,0,0|1,0,0]=3 141 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O 1CW [1,1,0,0,0,0|0,0,0]=2 142 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O 3HA [1,1,0,0,0,0|1,0,0]=3 143 B11R1.159 c1cc(c(c(c1)O)O)C(=O)N DB1 [1,1,0,0,0,0|1,0,0]=3 144 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O DBH [1,1,0,0,0,0|0,0,0]=2 145 B11R1.167 Cc1ccc(c(c1)C(=O)O)N 5M0 [1,1,0,0,0,0|1,0,0]=3 146 B11R1.167 Cc1ccc(c(c1)C(=O)O)O 54G [1,1,0,0,0,0|0,0,0]=2 147 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])O NCR [1,1,0,0,0,0|1,0,1]=4 148 B11R1.167 c1cc(c(cc1Br)C(=O)O)N SX1 [1,1,0,0,0,0|1,0,0]=3 149 B11R1.167 c1cc(c(cc1Cl)C(=O)N)N 5MK [1,1,0,0,0,0|2,0,0]=4 150 B11R1.167 c1cc(c(cc1F)C(=O)O)N 5RG [1,1,0,0,0,0|1,0,0]=3 151 B11R1.167 c1cc(c(cc1O)C(=O)O)O GTQ [1,1,0,0,0,0|0,0,0]=2 152 B11R1.167 c1cc(c(cc1[AsH2])[N+](=O)[O-])O RXO [1,1,0,0,0,0|1,0,1]=4 153 B11R1.222 CNC(=O)c1ccccc1I N1M [1,1,0,0,0,0|2,0,0]=4 154 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl 5G1 [1,1,0,0,0,0|2,0,0]=4 155 B11R1.222 c1ccc(c(c1)C(=O)NO)O SHA [1,1,0,0,0,0|0,0,0]=2 156 B13R1.3158 Cc1c(c(c(cn1)C(=O)O)CO)O 5PR [0,2,0,0,0,0|2,0,0]=4 157 B13R1.120 c1cc(c(cc1C(=O)O)N)C(=O)O 12T [0,2,0,0,0,0|1,0,0]=3 158 B13R1.4656 Cc1cc(c(c(c1)C)C(=O)OC)C 6L3 [0,2,0,0,0,0|2,0,0]=4 159 B11R1.157 c1cc(cc(c1)O)CC(=O)O 3HP [0,0,1,1,0,0|1,0,1]=4 160 B11R2.36 c1cc(cc2c1cc[nH]2)O F60 [1,0,0,1,0,0|2,0,0]=4 161 B11R2.36 c1cc2c(cc1O)OCO2 BZX [1,0,0,1,0,0|2,0,0]=4 162 B11R2.36 c1cc2cn[nH]c2cc1O 2K4 [1,0,0,1,0,0|2,0,0]=4 163 B11R2.1 c1ccc2c(c1)CCC2=O 1ON [1,0,0,1,0,0|2,0,0]=4 164 B11R2.1 c1ccc2c(c1)c(no2)N HLR [1,0,0,1,0,0|2,0,0]=4 165 B13R2.5179 c1cc2c(cc1O)CCCC2=O 718 [0,1,0,1,0,0|2,0,0]=4 166 B13R2.5179 c1cc2cc(ccc2c(c1)O)O DIN [0,1,0,1,0,0|2,0,0]=4 167 B9R1.35 Cc1ccc([nH]1)C(=O)O 5M1 [1,0,0,0,1,0|2,0,0]=4 168 B9R1.35 Cc1ccc(o1)C(=O)O 2K1 [1,0,0,0,1,0|2,0,0]=4 169 B9R1.35 c1c(coc1C(=O)O)N PJ7 [1,0,0,0,1,0|2,0,0]=4 170 B9R1.35 c1cc(oc1C(=O)O)Br 14J [1,0,0,0,1,0|2,0,0]=4 171 B9R1.41 Cc1ccsc1C(=O)O 60P [1,0,0,0,1,0|2,0,0]=4 172 B9R1.41 c1c(c(no1)O)C(=O)O GAG [1,0,0,0,1,0|2,0,0]=4 173 B11R1.20 CC(=O)Nc1ccc(cc1)O NNS [1,0,0,0,0,1|1,0,0]=3 174 B11R1.20 CC(=O)Nc1ccc(cc1)O TYL [1,0,0,0,0,1|1,0,0]=3 175 B11R1.20 c1cc(ccc1CC(=O)O)O 4HP [1,0,0,0,0,1|0,0,0]=2 176 B11R1.86 c1ccc(c(c1)CC(=O)O)O OHP [1,0,0,0,0,1|0,0,0]=2 177 B11R1.74 c1c(cc(cc1O)O)C(=O)O 34D [0,0,0,0,1,1|0,0,0]=2 178 B13R1.164 c1cc(c(cc1Cl)Cl)OCC(=O)O CFA [0,0,0,0,0,2|2,0,0]=4 179 B13R1.164 c1cc(c(cc1Cl)Cl)\C=C\C(=O)O 5OO [0,0,0,0,0,2|2,0,0]=4 180 B13R1.164 c1cc(c(cc1O)O)/C=C/C(=O)O SN1 [0,0,0,0,0,2|0,0,0]=2