0 B10R1.13 CC(=O)c1ccc(cc1)Br PBP [0,0,0,0,0,0|2,0,0]=2 1 B10R1.13 CC(=O)c1ccc(cc1)O AC6 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.13 CC(C)c1ccc(cc1)N ISO [0,0,0,0,0,0|3,0,1]=4 3 B10R1.13 Cc1ccc(cc1)C(=O)O 4MA [0,0,0,0,0,0|1,0,0]=1 4 B10R1.13 Cc1ccc(cc1)C(C)C MML [0,0,0,0,0,0|3,0,1]=4 5 B10R1.13 Cc1ccc(cc1)[S@@](=O)O TOS [0,0,0,0,0,0|2,0,0]=2 6 B10R1.13 c1cc(ccc1C(=O)N)O HBD [0,0,0,0,0,0|1,0,0]=1 7 B10R1.13 c1cc(ccc1C(=O)O)Br Z82 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.13 c1cc(ccc1C(=O)O)Cl 174 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.13 c1cc(ccc1C(=O)O)F 1Y6 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.13 c1cc(ccc1C(=O)O)N PAB [0,0,0,0,0,0|1,0,0]=1 11 B10R1.13 c1cc(ccc1C(=O)O)O PHB [0,0,0,0,0,0|0,0,0]=0 12 B10R1.13 c1cc(ccc1C(=O)O)[Hg] MBO [0,0,0,0,0,0|1,0,0]=1 13 B10R1.13 c1cc(ccc1C(=[NH2+])N)N PBZ [0,0,0,0,0,0|3,0,0]=3 14 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] NIT [0,0,0,0,0,0|2,0,1]=3 15 B10R1.13 c1cc(ccc1[N+](=O)[O-])O NPO [0,0,0,0,0,0|1,0,1]=2 16 B10R1.13 c1cc(ncc1C(=O)N)N 4FG [0,0,0,0,0,0|3,0,0]=3 17 B9R1.1 C=Cc1ccc(cc1)O 4VP [1,0,0,0,0,0|1,0,0]=2 18 B9R1.1 CCc1ccc(cc1)O ETY [1,0,0,0,0,0|1,0,1]=3 19 B9R1.1 COc1ccc(cc1)Br BOP [1,0,0,0,0,0|3,0,0]=4 20 B9R1.1 COc1ccc(cc1)O 4KS [1,0,0,0,0,0|2,0,0]=3 21 B9R1.1 CSc1ccc(cc1)N 4JM [1,0,0,0,0,0|3,0,0]=4 22 B9R1.1 Cc1ccc(cc1)CN 02N [1,0,0,0,0,0|2,0,1]=4 23 B9R1.1 c1cc(ccc1C#N)O H8N [1,0,0,0,0,0|1,0,1]=3 24 B9R1.1 c1cc(ccc1C=O)O HBA [1,0,0,0,0,0|0,0,0]=1 25 B9R1.1 c1cc(ccc1CN)Br PZH [1,0,0,0,0,0|2,0,1]=4 26 B9R1.1 c1cc(ccc1CN)Cl C2B [1,0,0,0,0,0|2,0,1]=4 27 B9R1.1 c1cc(ccc1CN)N 4ZY [1,0,0,0,0,0|2,0,1]=4 28 B9R1.1 c1cc(ccc1CO)Br BRB [1,0,0,0,0,0|1,0,1]=3 29 B9R1.1 c1cc(ccc1CO)Cl 4JL [1,0,0,0,0,0|1,0,1]=3 30 B9R1.1 c1cc(ccc1C[NH3+])F FBA [1,0,0,0,0,0|2,0,1]=4 31 B9R1.6 B(c1ccccc1)(O)O PBC [1,0,0,0,0,0|1,0,1]=3 32 B9R1.6 CC(=O)c1ccccc1 AC0 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.6 C[C@@H](c1ccccc1)N 98B [1,0,0,0,0,0|2,0,1]=4 34 B9R1.6 C[C@@H](c1ccccc1)O SS1 [1,0,0,0,0,0|1,0,1]=3 35 B9R1.6 C[C@H](c1ccccc1)N QSC [1,0,0,0,0,0|2,0,1]=4 36 B9R1.6 C[C@H](c1ccccc1)O SS2 [1,0,0,0,0,0|1,0,1]=3 37 B9R1.6 N=C(/c1ccccc1)\N BEN [1,0,0,0,0,0|2,0,0]=3 38 B9R1.6 c1cc(cnc1)C(=O)N NCA [1,0,0,0,0,0|2,0,0]=3 39 B9R1.6 c1cc(cnc1)C(=O)O NIO [1,0,0,0,0,0|1,0,0]=2 40 B9R1.6 c1ccc(cc1)C(=N)N BDN [1,0,0,0,0,0|2,0,0]=3 41 B9R1.6 c1ccc(cc1)C(=O)N UNU [1,0,0,0,0,0|1,0,0]=2 42 B9R1.6 c1ccc(cc1)C(=O)O BEZ [1,0,0,0,0,0|0,0,0]=1 43 B9R1.6 c1ccc(cc1)C(=O)O BOX [1,0,0,0,0,0|0,0,0]=1 44 B9R1.6 c1ccc(cc1)C(=[NH2+])N BAM [1,0,0,0,0,0|2,0,0]=3 45 B9R1.6 c1ccc(cc1)[N+](=O)[O-] NBZ [1,0,0,0,0,0|1,0,1]=3 46 B9R1.6 c1ccnc(c1)C(=O)N WM1 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.6 c1ccnc(c1)C(=O)O 6PC [1,0,0,0,0,0|1,0,0]=2 48 B9R1.6 c1cnc(cn1)C(=O)N PZA [1,0,0,0,0,0|3,0,0]=4 49 B9R1.6 c1cnc(cn1)C(=O)O VGL [1,0,0,0,0,0|2,0,0]=3 50 B9R1.6 c1cnccc1C(=N)N NTN [1,0,0,0,0,0|3,0,0]=4 51 B11R1.3 CCc1ccc(cc1)C(=O)O EGM [0,1,0,0,0,0|1,0,0]=2 52 B11R1.3 COc1ccc(cc1)C(=O)O ANN [0,1,0,0,0,0|0,0,0]=1 53 B11R1.3 COc1ccc(cc1)S(=O)=O MSB [0,1,0,0,0,0|1,0,1]=3 54 B11R1.3 CSc1ccc(cc1)[N+](=O)[O-] 259 [0,1,0,0,0,0|1,1,1]=4 55 B11R1.3 N=C(/c1ccc(cc1)C=O)\N 4FZ [0,1,0,0,0,0|2,0,1]=4 56 B11R1.3 N=C(/c1ccc(cc1)CO)\N 4BZ [0,1,0,0,0,0|2,0,0]=3 57 B11R1.3 N=C(\c1ccc(cc1)CN)/N 00S [0,1,0,0,0,0|3,0,0]=4 58 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl BE7 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.3 c1cc(ccc1C(=O)O)[Hg]O HGB [0,1,0,0,0,0|0,0,0]=1 60 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] XXH [0,1,0,0,0,0|1,0,2]=4 61 B11R1.3 c1cc(ccc1CBr)C(=O)O 4AY [0,1,0,0,0,0|1,0,0]=2 62 B11R1.3 c1cc(ccc1CN)C(=O)O 4AZ [0,1,0,0,0,0|1,0,0]=2 63 B11R1.3 c1cc(ccc1CN)[N+](=O)[O-] PNZ [0,1,0,0,0,0|2,0,1]=4 64 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] BPN [0,1,0,0,0,0|1,0,1]=3 65 B11R1.3 c1cc(ccc1CS)[N+](=O)O 4NM [0,1,0,0,0,0|1,1,0]=3 66 B11R1.3 c1cc(ccc1NN)[N+](=O)[O-] PND [0,1,0,0,0,0|2,0,1]=4 67 B11R1.19 Cc1ccc(cc1)S(=O)(=O)N 4J8 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TSU [0,1,0,0,0,0|2,0,0]=3 69 B11R1.19 c1cc(ccc1C(F)(F)F)O FCR [0,1,0,0,0,0|2,0,1]=4 70 B11R1.19 c1cc(ccc1F)S(=O)(=O)N FBS [0,1,0,0,0,0|2,0,1]=4 71 B11R1.19 c1cc(ccc1N)S(=O)(=O)N SAN [0,1,0,0,0,0|2,0,1]=4 72 B11R1.19 c1cc(ccc1N)[As](=O)(O)O ASR [0,1,0,0,0,0|2,0,0]=3 73 B11R1.19 c1cc(ccc1S(=O)(=O)O)[Hg] PMB [0,1,0,0,0,0|2,0,0]=3 74 B11R1.21 Cc1c(cc(cn1)C(=O)O)O 3HM [0,1,0,0,0,0|2,0,0]=3 75 B11R1.21 Cc1cc(ccc1Br)C(=O)O 0GF [0,1,0,0,0,0|1,0,0]=2 76 B11R1.21 Cc1cc(ccc1O)C(=O)C YTP [0,1,0,0,0,0|1,0,0]=2 77 B11R1.21 Cc1ccc(cc1O)C(=C)C 0WV [0,1,0,0,0,0|3,0,0]=4 78 B11R1.21 N=C(\c1ccc(c(c1)F)C)/N JLZ [0,1,0,0,0,0|3,0,0]=4 79 B11R1.21 c1c[n+](c(cc1C(=O)O)O)[O-] INO [0,1,0,0,0,0|1,0,1]=3 80 B11R1.21 c1cc([n+](cc1C(=O)O)[O-])O NNO [0,1,0,0,0,0|1,0,0]=2 81 B11R1.21 c1cc(c(cc1C(=O)N)F)F 2HO [0,1,0,0,0,0|2,0,0]=3 82 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl 34Z [0,1,0,0,0,0|1,0,0]=2 83 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O CHB [0,1,0,0,0,0|0,0,0]=1 84 B11R1.21 c1cc(c(cc1C(=O)O)F)O FHB [0,1,0,0,0,0|0,0,0]=1 85 B11R1.21 c1cc(c(cc1C(=O)O)I)O IHB [0,1,0,0,0,0|0,0,0]=1 86 B11R1.21 c1cc(c(cc1C(=O)O)O)N 4A3 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.21 c1cc(c(cc1C(=O)O)O)O DHB [0,1,0,0,0,0|0,0,0]=1 88 B11R1.21 c1cc(c(cc1N(=O)=O)Cl)O P9P [0,1,0,0,0,0|1,0,1]=3 89 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O 4NC [0,1,0,0,0,0|1,0,1]=3 90 B11R1.22 COC(=O)c1ccc(cc1)O MPB [0,1,0,0,0,0|0,0,0]=1 91 B11R1.22 c1cc(ccc1C(=O)CN)Br 47A [0,1,0,0,0,0|2,0,0]=3 92 B11R1.22 c1cc(ccc1C(=O)NN)O HDH [0,1,0,0,0,0|1,0,0]=2 93 B11R1.22 c1cc(ccc1[C@@H](C#N)O)O DHR [0,1,0,0,0,0|1,0,1]=3 94 B11R1.22 c1cc(ccc1[C@@H](CN)O)F 489 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.22 c1cc(ccc1[C@@H](CN)O)O OTS [0,1,0,0,0,0|1,0,1]=3 96 B11R1.22 c1cc(ccc1[C@H](CN)O)O OTR [0,1,0,0,0,0|1,0,1]=3 97 B11R1.22 c1cc(ccc1\C(=N\O)\N)F ZYB [0,1,0,0,0,0|2,0,0]=3 98 B11R1.166 C1=C(C(=NC(=O)N1)N)C(=O)O 1RT [0,1,0,0,0,0|2,0,1]=4 99 B11R1.166 C1=C(C(=O)NC(=O)N1)C(=O)O 5CU [0,1,0,0,0,0|2,0,1]=4 100 B11R1.166 Cc1ccc(c(c1)N)C(=O)O 4M0 [0,1,0,0,0,0|1,0,0]=2 101 B11R1.166 c1cc(c(cc1F)N)C(=O)O FA0 [0,1,0,0,0,0|1,0,0]=2 102 B11R1.166 c1cc(c(cc1N)O)C(=O)O BHA [0,1,0,0,0,0|1,0,0]=2 103 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] FNN [0,1,0,0,0,0|1,0,1]=3 104 B11R1.166 c1cc(c(cc1O)O)C(=O)O DOB [0,1,0,0,0,0|0,0,0]=1 105 B9R1.35 Cc1cc(no1)C(=O)O 02J [0,0,0,0,1,0|3,0,0]=4 106 B9R1.35 Cc1ccc([nH]1)C(=O)O 5M1 [0,0,0,0,1,0|2,0,0]=3 107 B9R1.35 Cc1ccc(o1)C(=O)O 2K1 [0,0,0,0,1,0|2,0,0]=3 108 B9R1.35 Cc1ncc(s1)C(=O)O 6V9 [0,0,0,0,1,0|3,0,0]=4 109 B9R1.35 c1c(coc1C(=O)O)N PJ7 [0,0,0,0,1,0|2,0,0]=3 110 B9R1.35 c1cc(oc1C(=O)O)Br 14J [0,0,0,0,1,0|2,0,0]=3 111 B9R1.35 c1cc(sc1C(=O)N)Cl FQI [0,0,0,0,1,0|3,0,0]=4 112 B11R1.20 CC(=O)Nc1ccc(cc1)O NNS [0,0,0,0,0,1|1,0,0]=2 113 B11R1.20 CC(=O)Nc1ccc(cc1)O TYL [0,0,0,0,0,1|1,0,0]=2 114 B11R1.20 C[C@H](Cc1ccc(cc1)O)N AEG [0,0,0,0,0,1|2,0,1]=4 115 B11R1.20 c1cc(ccc1CC(=O)O)O 4HP [0,0,0,0,0,1|0,0,0]=1 116 B8R0.28 C(\C=C\C(=O)O)C(=O)O G9A [1,0,1,0,0,0|1,0,1]=4 117 B8R1.2 C=Cc1ccccc1 SYN [2,0,0,0,0,0|1,0,0]=3 118 B8R1.2 CCc1ccccc1 N2B [2,0,0,0,0,0|1,0,1]=4 119 B8R1.2 CCc1ccccc1 PYJ [2,0,0,0,0,0|1,0,1]=4 120 B8R1.2 CNc1ccccc1 1MR [2,0,0,0,0,0|2,0,0]=4 121 B8R1.2 CSc1ccccc1 16R [2,0,0,0,0,0|2,0,0]=4 122 B8R1.2 c1cc(cnc1)CO PYF [2,0,0,0,0,0|1,0,1]=4 123 B8R1.2 c1ccc(cc1)C=O HBX [2,0,0,0,0,0|0,0,0]=2 124 B8R1.2 c1ccc(cc1)CCl 9CL [2,0,0,0,0,0|1,0,1]=4 125 B8R1.2 c1ccc(cc1)CN ABN [2,0,0,0,0,0|1,0,1]=4 126 B8R1.2 c1ccc(cc1)CO 010 [2,0,0,0,0,0|0,0,1]=3 127 B8R1.2 c1ccc(cc1)N=O NBE [2,0,0,0,0,0|1,0,0]=3 128 B8R1.2 c1ccc(cc1)NN PHZ [2,0,0,0,0,0|2,0,0]=4 129 B8R1.2 c1ccc(cc1)[As]=O PA0 [2,0,0,0,0,0|1,0,0]=3 130 B8R1.2 c1cnccc1CO PY7 [2,0,0,0,0,0|1,0,1]=4 131 B8R1.3 C1=CC(=O)C=CC1=O PLQ [2,0,0,0,0,0|0,0,1]=3 132 B8R1.3 C1=CC(=O)NC=C1Br 4HS [2,0,0,0,0,0|2,0,0]=4 133 B8R1.3 Cc1ccc(cc1)C PXY [2,0,0,0,0,0|1,0,1]=4 134 B8R1.3 Cc1ccc(cc1)N 4MN [2,0,0,0,0,0|1,0,1]=4 135 B8R1.3 Cc1ccc(cc1)O PCR [2,0,0,0,0,0|0,0,1]=3 136 B8R1.3 c1cc(ccc1N)O 4NL [2,0,0,0,0,0|1,0,0]=3 137 B8R1.3 c1cc(ccc1O)Br BML [2,0,0,0,0,0|1,0,0]=3 138 B8R1.3 c1cc(ccc1O)Cl 4CH [2,0,0,0,0,0|1,0,0]=3 139 B8R1.3 c1cc(ccc1O)F FPN [2,0,0,0,0,0|1,0,0]=3 140 B8R1.3 c1cc(ccc1O)I IOL [2,0,0,0,0,0|1,0,0]=3 141 B8R1.3 c1cc(ccc1O)O HQE [2,0,0,0,0,0|0,0,0]=2 142 B8R1.3 c1cc(ccc1S)Br 2XE [2,0,0,0,0,0|1,1,0]=4 143 B10R0.98 CC(=O)/C=C/C=C(\C(=O)O)/O M3P [0,1,1,0,0,0|2,0,0]=4 144 B10R1.1 c1cc(ccc1CC#N)O 3AQ [1,1,0,0,0,0|1,0,1]=4 145 B10R1.1 c1cc(ccc1CCN)O AEF [1,1,0,0,0,0|1,0,1]=4 146 B10R1.1 c1cc(ccc1CCO)F 4FA [1,1,0,0,0,0|1,0,1]=4 147 B10R1.1 c1cc(ccc1CCO)O YRL [1,1,0,0,0,0|0,0,1]=3 148 B10R1.3 COc1ccc(cc1)CN PZM [1,1,0,0,0,0|1,0,1]=4 149 B10R1.3 c1cc(ccc1CN)CO 4AL [1,1,0,0,0,0|1,0,1]=4 150 B10R1.25 c1cc(c(cc1F)F)CO 24B [1,1,0,0,0,0|1,0,1]=4 151 B10R1.25 c1cc(c(cc1O)F)C#N 8H8 [1,1,0,0,0,0|1,0,1]=4 152 B10R1.25 c1cc(c(cc1O)O)SO TH7 [1,1,0,0,0,0|1,0,0]=3 153 B10R1.176 C1=C(OC=C(C1=O)O)CO KOJ [1,1,0,0,0,0|1,0,1]=4 154 B10R1.15 C#C[C@H](c1ccccc1)O 1DJ [1,1,0,0,0,0|1,0,1]=4 155 B10R1.15 CCC(=O)c1ccccc1 I1E [1,1,0,0,0,0|1,0,0]=3 156 B10R1.15 C[C@H](C=O)c1ccccc1 1LP [1,1,0,0,0,0|1,0,1]=4 157 B10R1.15 N=N\C(=O)c1ccncc1 ISZ [1,1,0,0,0,0|2,0,0]=4 158 B10R1.15 c1ccc(cc1)C(=O)CO HXT [1,1,0,0,0,0|0,0,0]=2 159 B10R1.15 c1ccc(cc1)C(=O)NN WM4 [1,1,0,0,0,0|1,0,0]=3 160 B10R1.15 c1ccc(cc1)C(=O)NO BHO [1,1,0,0,0,0|0,0,0]=2 161 B10R1.15 c1ccc(cc1)N(N=O)O CFI [1,1,0,0,0,0|1,0,0]=3 162 B10R1.15 c1ccc(cc1)[C@@H](C#N)O MNN [1,1,0,0,0,0|1,0,1]=4 163 B10R1.15 c1ccc(cc1)[C@H](C#N)O MXN [1,1,0,0,0,0|1,0,1]=4 164 B10R1.15 c1ccc(cc1)[C@H](CO)O FEH [1,1,0,0,0,0|0,0,2]=4 165 B10R1.15 c1cnccc1C(=O)NN NIZ [1,1,0,0,0,0|2,0,0]=4 166 B10R1.28 CS(=O)(=O)c1ccccc1 SML [1,1,0,0,0,0|1,0,1]=4 167 B10R1.28 c1ccc(cc1)P(=O)(O)O SV7 [1,1,0,0,0,0|1,0,0]=3 168 B10R1.28 c1ccc(cc1)S(=O)(=O)N FB2 [1,1,0,0,0,0|1,0,1]=4 169 B10R1.28 c1ccc(cc1)S(=O)(=O)O BNS [1,1,0,0,0,0|1,0,0]=3 170 B10R1.28 c1cnccc1S(=O)(=O)O SPY [1,1,0,0,0,0|2,0,0]=4 171 B10R1.61 C1=CNC(=O)C(=C1)C(=O)O ES6 [1,1,0,0,0,0|1,0,0]=3 172 B10R1.61 CC(=O)c1ccccc1N VNJ [1,1,0,0,0,0|1,0,0]=3 173 B10R1.61 Cc1ccccc1C(=O)O 3SK [1,1,0,0,0,0|0,0,0]=2 174 B10R1.61 c1c(c(ncn1)C(=O)O)Cl 6SM [1,1,0,0,0,0|2,0,0]=4 175 B10R1.61 c1cc(c(nc1)C(=O)O)O MHW [1,1,0,0,0,0|1,0,0]=3 176 B10R1.61 c1cc(c(nc1)C(=O)O)S 1WD [1,1,0,0,0,0|1,0,0]=3 177 B10R1.61 c1ccc(c(c1)C(=O)N)N 2AE [1,1,0,0,0,0|1,0,0]=3 178 B10R1.61 c1ccc(c(c1)C(=O)N)O OHB [1,1,0,0,0,0|1,0,0]=3 179 B10R1.61 c1ccc(c(c1)C(=O)O)F 3U4 [1,1,0,0,0,0|0,0,0]=2 180 B10R1.61 c1ccc(c(c1)C(=O)O)N 6AB [1,1,0,0,0,0|0,0,0]=2 181 B10R1.61 c1ccc(c(c1)C(=O)O)N BE2 [1,1,0,0,0,0|0,0,0]=2 182 B10R1.61 c1ccc(c(c1)C(=O)O)O SAL [1,1,0,0,0,0|0,0,0]=2 183 B10R1.61 c1ccc(c(c1)C(=O)O)S JKE [1,1,0,0,0,0|0,0,0]=2 184 B10R1.61 c1ccc(c(c1)[N+](=O)O)O CG3 [1,1,0,0,0,0|1,0,0]=3 185 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O OPO [1,1,0,0,0,0|1,0,1]=4 186 B10R1.61 c1cncc(c1C(=O)O)N 4SV [1,1,0,0,0,0|1,0,0]=3 187 B10R1.113 B(c1cccc(c1)N)(O)O APB [1,1,0,0,0,0|1,0,1]=4 188 B10R1.113 CC(=O)c1cccc(c1)N 3AO [1,1,0,0,0,0|1,0,0]=3 189 B10R1.113 CC(=O)c1cccc(c1)O 53C [1,1,0,0,0,0|1,0,0]=3 190 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] 3NT [1,1,0,0,0,0|1,0,1]=4 191 B10R1.113 c1c(cncc1Br)C(=O)N BRT [1,1,0,0,0,0|2,0,0]=4 192 B10R1.113 c1c(cncc1O)C(=O)O 5HN [1,1,0,0,0,0|1,0,0]=3 193 B10R1.113 c1cc(cc(c1)Cl)C(=O)N WCE [1,1,0,0,0,0|1,0,0]=3 194 B10R1.113 c1cc(cc(c1)Cl)C(=O)O 3BZ [1,1,0,0,0,0|0,0,0]=2 195 B10R1.113 c1cc(cc(c1)N)C(=O)N 3AB [1,1,0,0,0,0|1,0,0]=3 196 B10R1.113 c1cc(cc(c1)N)C(=O)O GAB [1,1,0,0,0,0|0,0,0]=2 197 B10R1.113 c1cc(cc(c1)O)C(=O)O 3HB [1,1,0,0,0,0|0,0,0]=2 198 B10R1.113 c1cc(nc(c1)O)C(=O)O 53B [1,1,0,0,0,0|1,0,0]=3 199 B10R1.59 Cn1cc(cc1C(=O)O)N PYB [0,1,0,0,1,0|2,0,0]=4 200 B12R1.4 COc1ccc(cc1)CC(=O)N ZHZ [0,1,0,0,0,1|1,0,0]=3 201 B12R1.4 N=C(/N)\Nc1ccc(cc1)CO 1JZ [0,1,0,0,0,1|2,0,0]=4 202 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)Cl 05R [0,1,0,0,0,1|1,0,0]=3 203 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)O 3C4 [0,1,0,0,0,1|0,0,0]=2 204 B12R1.19 c1cc(c(cc1CC(=O)O)O)O DHY [0,1,0,0,0,1|0,0,0]=2 205 B12R1.19 c1cc(c(cc1CC(=O)O)O)O HAA [0,1,0,0,0,1|0,0,0]=2 206 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)O D4P [0,1,0,0,0,1|0,0,0]=2 207 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)O)O HHH [0,1,0,0,0,1|0,0,0]=2 208 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O DGH [0,1,0,0,0,1|0,0,0]=2 209 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O GHP [0,1,0,0,0,1|0,0,0]=2 210 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O NTY [0,1,0,0,0,1|0,0,0]=2 211 B12R1.49 c1cc(ccc1CC(=O)NN)F 45Y [0,1,0,0,0,1|2,0,0]=4 212 B12R1.49 c1cc(ccc1C[C@@H](C=O)N)O TYB [0,1,0,0,0,1|1,0,1]=4 213 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O TYE [0,1,0,0,0,1|1,0,1]=4 214 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH-])O TYR_LL [0,1,0,0,0,1|1,0,1]=4 215 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH3+])O TYR_LSN3 [0,1,0,0,0,1|1,0,1]=4 216 B12R1.49 c1cc(ccc1NC(=N)NO)Cl PH3 [0,1,0,0,0,1|2,0,0]=4 217 B12R1.233 c1cc(c(cc1O)O)SC(=O)O S24 [0,1,0,0,0,1|0,0,0]=2 218 B12R1.5 CCc1ccc(cc1)C(=O)CC I3E [0,2,0,0,0,0|2,0,0]=4 219 B12R1.6 COc1ccc(cc1)S(=O)(=O)N M4S [0,2,0,0,0,0|1,0,1]=4 220 B12R1.6 COc1ccc(cc1)S(=O)(=O)O 4OS [0,2,0,0,0,0|1,0,0]=3 221 B12R1.113 c1cc(ccc1CCN)[S@@](=O)O 2AB [0,2,0,0,0,0|2,0,0]=4 222 B12R1.256 B(c1ccc(cc1)C(=O)O)(O)O 4CB [0,2,0,0,0,0|0,0,0]=2 223 B12R1.256 CN(C)c1ccc(cc1)C(=O)O XP1 [0,2,0,0,0,0|1,0,0]=3 224 B12R1.256 CN(C)c1ccc(cn1)C(=O)O 46L [0,2,0,0,0,0|2,0,0]=4 225 B12R1.256 N=C(\c1ccc(cc1)C(=O)O)/N 65K [0,2,0,0,0,0|1,0,0]=3 226 B12R1.256 c1cc(ccc1C(=O)O)[N+](=O)[O-] 4NB [0,2,0,0,0,0|0,0,1]=3 227 B12R1.23 c1cc(c(cc1S(=O)(=O)O)O)O 4SX [0,2,0,0,0,0|1,0,0]=3 228 B12R1.56 CC(=O)c1ccc(c(c1)OC)O I75 [0,2,0,0,0,0|1,0,0]=3 229 B12R1.56 COc1cc(ccc1O)C(=O)[O-] VNL [0,2,0,0,0,0|0,0,1]=3 230 B12R1.56 c1cc(c(cc1[N+](=O)[O-])C#N)O 6VP [0,2,0,0,0,0|1,0,1]=4 231 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O 4Z4 [0,2,0,0,0,0|1,0,0]=3 232 B12R1.367 CN(c1ccc(c(c1)O)O)N=O PQR [0,2,0,0,0,0|2,0,0]=4 233 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O LNR [0,2,0,0,0,0|1,0,1]=4 234 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O LT4 [0,2,0,0,0,0|1,0,1]=4 235 B12R1.893 c1cc(c(c(c1C(=O)O)N)O)Cl 4AA [0,2,0,0,0,0|1,0,0]=3 236 B12R1.1005 CC1=C(C(=O)C=C(O1)C(=O)O)O SHL [0,2,0,0,0,0|1,0,0]=3 237 B12R1.1005 c1c(cc(c(c1O)O)O)C(=O)O GDE [0,2,0,0,0,0|0,0,0]=2 238 B12R1.16 CCOC(=O)c1ccc(cc1)O E4B [0,2,0,0,0,0|0,0,0]=2 239 B12R1.1703 CCC(=O)c1ccc(cc1O)O 2FY [0,2,0,0,0,0|1,0,0]=3 240 B12R1.1703 COC(=O)c1ccc(cc1N)Cl MS9 [0,2,0,0,0,0|1,0,0]=3 241 B12R1.1703 C\C(=N/O)\c1ccc(cc1O)O ODO [0,2,0,0,0,0|1,0,0]=3 242 B12R1.1000 Cc1cc(cc(c1C(=O)O)O)O 6X7 [0,2,0,0,0,0|0,0,0]=2 243 B10R2.6 c1ccc(cc1)[C@@H]2CO2 RSO [1,0,0,1,0,0|1,0,1]=4 244 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 1P8 [0,0,0,1,0,1|2,0,0]=4 245 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 ES2 [0,0,0,1,0,1|2,0,0]=4 246 B12R2.606 c1cc2c(cc1Cl)NC(=O)O2 CLW [0,0,0,1,0,1|2,0,0]=4 247 B12R2.606 c1cc2c(cc1O)nc([nH]2)N 172 [0,0,0,1,0,1|2,0,0]=4 248 B12R2.612 Cc1c2ccc(cc2[nH]n1)O XQ0 [0,1,0,1,0,0|2,0,0]=4 249 B8R0.23 C(=C(/C(=O)O)\N)/C(=O)O 2KZ [0,0,1,0,1,0|2,0,0]=4 250 B8R0.23 C(=C(\C(=O)O)/N)/C(=O)O DYA [0,0,1,0,1,0|2,0,0]=4 251 B8R0.23 C=C(CC(=O)O)C(=O)O ITN [0,0,1,0,1,0|1,0,1]=4 252 B8R0.23 C\C(=C/C(=O)O)\C(=O)O MEZ [0,0,1,0,1,0|1,0,1]=4 253 B8R0.23 C\C(=C\C(=O)O)\C(=O)O CIZ [0,0,1,0,1,0|1,0,1]=4 254 B8R1.7 c1c(ncs1)C(=O)O TZO [1,0,0,0,1,0|2,0,0]=4 255 B8R1.7 c1cc([nH]c1)C(=O)[O-] PYC [1,0,0,0,1,0|1,0,1]=4 256 B8R1.7 c1cc(oc1)C(=O)O FOA [1,0,0,0,1,0|1,0,0]=3 257 B8R1.7 c1cc(sc1)C(=O)O C21 [1,0,0,0,1,0|1,0,0]=3 258 B10R1.18 CC(=O)Oc1ccccc1 QY9 [1,0,0,0,0,1|1,0,0]=3 259 B10R1.18 N=C(\N)/Nc1ccccc1 PL0 [1,0,0,0,0,1|2,0,0]=4 260 B10R1.18 c1ccc(cc1)CC(=O)O PAC [1,0,0,0,0,1|0,0,0]=2 261 B10R1.18 c1ccc(cc1)NC(=O)N PHU [1,0,0,0,0,1|1,0,0]=3 262 B10R1.18 c1ccc(cc1)NC(=S)N URS [1,0,0,0,0,1|1,1,0]=4 263 B12R1.21 Cc1ccc(cc1)CCC(=O)O PPT [0,0,0,0,0,2|1,0,0]=3 264 B12R1.21 c1cc(ccc1/C=C/C(=O)O)O HC4 [0,0,0,0,0,2|0,0,0]=2 265 B12R1.21 c1cc(ccc1CCC(=O)N)Br TCF [0,0,0,0,0,2|2,0,0]=4 266 B12R1.21 c1cc(ccc1CCC(=O)N)O SGI [0,0,0,0,0,2|1,0,0]=3 267 B12R1.21 c1cc(ccc1CCC(=O)O)Cl S0W [0,0,0,0,0,2|1,0,0]=3 268 B12R1.21 c1cc(ccc1CCC(=O)O)N AHC [0,0,0,0,0,2|1,0,0]=3 269 B12R1.21 c1cc(ccc1CCC(=O)O)O HPP [0,0,0,0,0,2|0,0,0]=2 270 B12R1.21 c1cc(ccc1\C=C\[N+](=O)[O-])O P81 [0,0,0,0,0,2|1,0,1]=4