0 B10R1.1 c1cc(ccc1CC#N)O 3AQ [0,0,0,0,0,0|0,0,2]=2 1 B10R1.1 c1cc(ccc1CCN)O AEF [0,0,0,0,0,0|0,0,0]=0 2 B10R1.1 c1cc(ccc1CCO)F 4FA [0,0,0,0,0,0|2,0,0]=2 3 B10R1.1 c1cc(ccc1CCO)O YRL [0,0,0,0,0,0|1,0,0]=1 4 B9R1.1 C=Cc1ccc(cc1)O 4VP [1,0,0,0,0,0|0,0,2]=3 5 B9R1.1 CCc1ccc(cc1)O ETY [1,0,0,0,0,0|0,0,0]=1 6 B9R1.1 COc1ccc(cc1)Br BOP [1,0,0,0,0,0|2,0,0]=3 7 B9R1.1 COc1ccc(cc1)O 4KS [1,0,0,0,0,0|1,0,0]=2 8 B9R1.1 CSc1ccc(cc1)N 4JM [1,0,0,0,0,0|2,0,0]=3 9 B9R1.1 C[n+]1ccc(cc1)CN NNK [1,0,0,0,0,0|2,0,0]=3 10 B9R1.1 Cc1ccc(cc1)CN 02N [1,0,0,0,0,0|1,0,0]=2 11 B9R1.1 c1cc(ccc1C#N)O H8N [1,0,0,0,0,0|0,0,2]=3 12 B9R1.1 c1cc(ccc1C=O)O HBA [1,0,0,0,0,0|1,0,1]=3 13 B9R1.1 c1cc(ccc1CN)Br PZH [1,0,0,0,0,0|1,0,0]=2 14 B9R1.1 c1cc(ccc1CN)Cl C2B [1,0,0,0,0,0|1,0,0]=2 15 B9R1.1 c1cc(ccc1CN)N 4ZY [1,0,0,0,0,0|1,0,0]=2 16 B9R1.1 c1cc(ccc1CO)Br BRB [1,0,0,0,0,0|2,0,0]=3 17 B9R1.1 c1cc(ccc1CO)Cl 4JL [1,0,0,0,0,0|2,0,0]=3 18 B9R1.1 c1cc(ccc1C[NH3+])F FBA [1,0,0,0,0,0|1,0,1]=3 19 B9R1.8 CCCc1ccccc1 3H0 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.8 CCOc1ccccc1 16Q [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 CCSc1ccccc1 16M [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 CNCc1ccccc1 271 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 CSCc1ccccc1 PTF [1,0,0,0,0,0|2,0,0]=3 24 B9R1.8 c1cc(cnc1)CCN 45X [1,0,0,0,0,0|1,0,0]=2 25 B9R1.8 c1ccc(cc1)CC=O HY1 [1,0,0,0,0,0|1,0,1]=3 26 B9R1.8 c1ccc(cc1)CCCl CEE [1,0,0,0,0,0|1,0,0]=2 27 B9R1.8 c1ccc(cc1)CCO PEL [1,0,0,0,0,0|1,0,0]=2 28 B9R1.8 c1ccc(cc1)CC[NH3+] PEA [1,0,0,0,0,0|0,0,1]=2 29 B9R1.8 c1ccc(cc1)CNN BZZ [1,0,0,0,0,0|1,0,0]=2 30 B9R1.8 c1ccc(cc1)CON OBZ [1,0,0,0,0,0|1,0,0]=2 31 B9R1.8 c1ccc(cc1)N=C=S FTE [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 c1ccc(cc1)NC=O FAN [1,0,0,0,0,0|2,0,1]=4 33 B9R1.8 c1ccc(cc1)NC=S 0FI [1,0,0,0,0,0|2,0,1]=4 34 B11R1.1 c1cc(ccc1CNC=O)I BAC [0,1,0,0,0,0|2,0,1]=4 35 B11R1.1 c1cc(ncc1Cl)SCCO YPN [0,1,0,0,0,0|3,0,0]=4 36 B11R1.20 CC(=O)Nc1ccc(cc1)O NNS [0,1,0,0,0,0|2,0,1]=4 37 B11R1.20 CC(=O)Nc1ccc(cc1)O TYL [0,1,0,0,0,0|2,0,1]=4 38 B11R1.20 C[C@H](Cc1ccc(cc1)O)N AEG [0,1,0,0,0,0|0,0,0]=1 39 B11R1.20 c1cc(ccc1CC(=O)O)O 4HP [0,1,0,0,0,0|1,0,1]=3 40 B11R1.22 COC(=O)c1ccc(cc1)O MPB [0,1,0,0,0,0|2,0,1]=4 41 B11R1.22 c1cc(ccc1C(=O)CN)Br 47A [0,1,0,0,0,0|1,0,1]=3 42 B11R1.22 c1cc(ccc1C(=O)NN)O HDH [0,1,0,0,0,0|1,0,1]=3 43 B11R1.22 c1cc(ccc1[C@@H](C#N)O)O DHR [0,1,0,0,0,0|0,0,2]=3 44 B11R1.22 c1cc(ccc1[C@@H](CN)O)F 489 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.22 c1cc(ccc1[C@@H](CN)O)O OTS [0,1,0,0,0,0|0,0,0]=1 46 B11R1.22 c1cc(ccc1[C@H](CN)O)O OTR [0,1,0,0,0,0|0,0,0]=1 47 B11R1.83 COc1ccc(cc1)CCN ZHH [0,1,0,0,0,0|0,0,0]=1 48 B11R1.192 c1cc(c(cc1CCN)Cl)Cl 42J [0,1,0,0,0,0|1,0,0]=2 49 B11R1.192 c1cc(c(cc1CCN)O)O LDP [0,1,0,0,0,0|0,0,0]=1 50 B11R2.36 Cc1ccc2c(c1)[nH]cn2 5MB [0,0,0,1,0,0|2,0,1]=4 51 B11R2.36 c1cc(cc2c1cc[nH]2)Br FK1 [0,0,0,1,0,0|1,0,2]=4 52 B11R2.36 c1cc(cc2c1cc[nH]2)O F60 [0,0,0,1,0,0|0,0,2]=3 53 B11R2.36 c1cc2c(cc1O)OCO2 BZX [0,0,0,1,0,0|2,0,0]=3 54 B11R2.36 c1cc2c(cc[nH]2)cc1O 5H1 [0,0,0,1,0,0|2,0,1]=4 55 B11R2.36 c1cc2cn[nH]c2cc1N 6AI [0,0,0,1,0,0|2,0,1]=4 56 B11R2.36 c1cc2cn[nH]c2cc1O 2K4 [0,0,0,1,0,0|1,0,1]=3 57 B8R1.2 B1(C=CC=CN1)CC 6OQ [2,0,0,0,0,0|2,0,0]=4 58 B8R1.2 B1C=CC=CN1CC B24 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.2 C=Cc1ccccc1 SYN [2,0,0,0,0,0|0,0,2]=4 60 B8R1.2 CCc1ccccc1 N2B [2,0,0,0,0,0|0,0,0]=2 61 B8R1.2 CCc1ccccc1 PYJ [2,0,0,0,0,0|0,0,0]=2 62 B8R1.2 CNc1ccccc1 1MR [2,0,0,0,0,0|1,0,0]=3 63 B8R1.2 COc1cccnc1 282 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.2 CSc1ccccc1 16R [2,0,0,0,0,0|1,0,0]=3 65 B8R1.2 c1cc(cnc1)CN 0YC [2,0,0,0,0,0|1,0,0]=3 66 B8R1.2 c1cc(cnc1)CO PYF [2,0,0,0,0,0|2,0,0]=4 67 B8R1.2 c1cc(cnc1)CS PY2 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.2 c1ccc(cc1)C=O HBX [2,0,0,0,0,0|1,0,1]=4 69 B8R1.2 c1ccc(cc1)CCl 9CL [2,0,0,0,0,0|1,0,0]=3 70 B8R1.2 c1ccc(cc1)CN ABN [2,0,0,0,0,0|0,0,0]=2 71 B8R1.2 c1ccc(cc1)CO 010 [2,0,0,0,0,0|1,0,0]=3 72 B8R1.2 c1ccc(cc1)N=O NBE [2,0,0,0,0,0|2,0,0]=4 73 B8R1.2 c1ccc(cc1)NN PHZ [2,0,0,0,0,0|1,0,0]=3 74 B8R1.2 c1ccc(cc1)[As]=O PA0 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.2 c1ccnc(c1)CN APY [2,0,0,0,0,0|1,0,0]=3 76 B8R1.2 c1cnccc1CN NNW [2,0,0,0,0,0|1,0,0]=3 77 B8R1.2 c1cnccc1CO PY7 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.3 C1=CC(=O)C=CC1=O PLQ [2,0,0,0,0,0|1,0,1]=4 79 B8R1.3 Cc1ccc(cc1)C PXY [2,0,0,0,0,0|1,0,0]=3 80 B8R1.3 Cc1ccc(cc1)N 4MN [2,0,0,0,0,0|1,0,0]=3 81 B8R1.3 Cc1ccc(cc1)O PCR [2,0,0,0,0,0|0,0,0]=2 82 B8R1.3 Cc1ccc(nc1)N LG4 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.3 c1cc(ccc1N)O 4NL [2,0,0,0,0,0|0,0,0]=2 84 B8R1.3 c1cc(ccc1O)Br BML [2,0,0,0,0,0|1,0,0]=3 85 B8R1.3 c1cc(ccc1O)Cl 4CH [2,0,0,0,0,0|1,0,0]=3 86 B8R1.3 c1cc(ccc1O)F FPN [2,0,0,0,0,0|1,0,0]=3 87 B8R1.3 c1cc(ccc1O)I IOL [2,0,0,0,0,0|1,0,0]=3 88 B8R1.3 c1cc(ccc1O)O HQE [2,0,0,0,0,0|1,0,0]=3 89 B8R1.3 c1cc(ccc1S)Br 2XE [2,0,0,0,0,0|1,1,0]=4 90 B8R1.3 c1cc(ncc1N)Br 4JN [2,0,0,0,0,0|2,0,0]=4 91 B8R1.3 c1cc(ncc1N)N DA1 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.3 COc1ccc(cc1)CN PZM [1,1,0,0,0,0|0,0,0]=2 93 B10R1.3 c1cc(ccc1CN)CO 4AL [1,1,0,0,0,0|0,0,0]=2 94 B10R1.13 CC(=O)c1ccc(cc1)Br PBP [1,1,0,0,0,0|1,0,1]=4 95 B10R1.13 CC(=O)c1ccc(cc1)O AC6 [1,1,0,0,0,0|0,0,1]=3 96 B10R1.13 CC(C)c1ccc(cc1)N ISO [1,1,0,0,0,0|1,0,0]=3 97 B10R1.13 Cc1ccc(cc1)C(C)C MML [1,1,0,0,0,0|1,0,0]=3 98 B10R1.13 c1cc(ccc1C(=O)N)O HBD [1,1,0,0,0,0|0,0,1]=3 99 B10R1.13 c1cc(ccc1C(=O)O)O PHB [1,1,0,0,0,0|1,0,1]=4 100 B10R1.13 c1cc(ccc1C(=[NH2+])N)N PBZ [1,1,0,0,0,0|1,0,1]=4 101 B10R1.13 c1cc(ccc1[N+](=O)[O-])O NPO [1,1,0,0,0,0|2,0,0]=4 102 B10R1.25 COc1ccc(cc1F)N 71B [1,1,0,0,0,0|2,0,0]=4 103 B10R1.25 Cc1ccc(c(c1)N)OC ZZT [1,1,0,0,0,0|2,0,0]=4 104 B10R1.25 c1cc(c(cc1F)F)CO 24B [1,1,0,0,0,0|2,0,0]=4 105 B10R1.25 c1cc(c(cc1O)F)C#N 8H8 [1,1,0,0,0,0|0,0,2]=4 106 B10R1.25 c1cc(c(cc1O)O)SO TH7 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.176 C1=C(OC=C(C1=O)O)CO KOJ [1,1,0,0,0,0|2,0,0]=4 108 B10R1.4 C1=CC=[N](C(=C1)N)CCO 1LN [1,1,0,0,0,0|2,0,0]=4 109 B10R1.4 C=CCc1ccccc1O 2LP [1,1,0,0,0,0|1,0,1]=4 110 B10R1.4 CCCc1ccccc1N PRY [1,1,0,0,0,0|1,0,0]=3 111 B10R1.4 CCCc1ccccc1O JZ4 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.4 CCOc1ccccc1O 261 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.4 c1ccc(c(c1)CCN)F BSX [1,1,0,0,0,0|0,0,0]=2 114 B10R1.15 C#C[C@H](c1ccccc1)O 1DJ [1,1,0,0,0,0|1,0,1]=4 115 B10R1.15 CCC(=O)c1ccccc1 I1E [1,1,0,0,0,0|1,0,1]=4 116 B10R1.15 CC[C@@H](C)c1ccccc1 3GY [1,1,0,0,0,0|1,0,0]=3 117 B10R1.15 C[C@H](C=O)c1ccccc1 1LP [1,1,0,0,0,0|1,0,1]=4 118 B10R1.15 c1ccc(cc1)C(=O)CO HXT [1,1,0,0,0,0|1,0,1]=4 119 B10R1.15 c1ccc(cc1)C(=O)NN WM4 [1,1,0,0,0,0|1,0,1]=4 120 B10R1.15 c1ccc(cc1)[C@@H](C#N)O MNN [1,1,0,0,0,0|0,0,2]=4 121 B10R1.15 c1ccc(cc1)[C@H](C#N)O MXN [1,1,0,0,0,0|0,0,2]=4 122 B10R1.15 c1ccc(cc1)[C@H](CO)O FEH [1,1,0,0,0,0|1,0,0]=3 123 B10R1.17 C=CCNc1ccccc1 NYL [1,1,0,0,0,0|1,0,1]=4 124 B10R1.17 CCCCc1ccccc1 N4B [1,1,0,0,0,0|1,0,0]=3 125 B10R1.17 c1ccc(cc1)CCC=O 3PL [1,1,0,0,0,0|1,0,0]=3 126 B10R1.17 c1ccc(cc1)CCCCl LT1 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.17 c1ccc(cc1)CCC[NH3+] PRA [1,1,0,0,0,0|0,0,1]=3 128 B10R1.17 c1ccc(cc1)CNC=O BNF [1,1,0,0,0,0|1,0,1]=4 129 B10R1.17 c1ccc(cc1)CNC=S 9BE [1,1,0,0,0,0|1,0,1]=4 130 B10R1.17 c1ccc(cc1)COC=O BZO [1,1,0,0,0,0|1,0,1]=4 131 B10R1.17 c1ccc(cc1)COC=O CBZ [1,1,0,0,0,0|1,0,1]=4 132 B10R1.17 c1ccc(cc1)NCC#N 264 [1,1,0,0,0,0|0,0,2]=4 133 B10R1.17 c1ccc(cc1)OCCCl 258 [1,1,0,0,0,0|1,0,0]=3 134 B10R1.17 c1ccc(cc1)OCCO 268 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.17 c1cnccc1NCCN 01R [1,1,0,0,0,0|1,0,0]=3 136 B10R1.18 CC(C)Cc1ccccc1 I4B [1,1,0,0,0,0|1,0,0]=3 137 B10R1.18 C[C@@H](Cc1ccccc1)N 1WE [1,1,0,0,0,0|0,0,0]=2 138 B10R1.18 C[C@H](Cc1ccccc1)N FRD [1,1,0,0,0,0|0,0,0]=2 139 B10R1.18 N=C(\N)/Nc1ccccc1 PL0 [1,1,0,0,0,0|1,0,1]=4 140 B10R1.18 c1ccc(cc1)CC(=O)O PAC [1,1,0,0,0,0|1,0,1]=4 141 B10R1.18 c1ccc(cc1)NC(=O)N PHU [1,1,0,0,0,0|1,0,1]=4 142 B10R1.18 c1ccc(cc1)NC(=S)N URS [1,1,0,0,0,0|1,0,1]=4 143 B12R1.1 c1cc(ccc1CCNC=S)O 4MT [0,2,0,0,0,0|0,0,0]=2 144 B12R1.16 CCOC(=O)c1ccc(cc1)O E4B [0,2,0,0,0,0|1,0,1]=4 145 B12R1.21 Cc1ccc(cc1)CCC(=O)O PPT [0,2,0,0,0,0|2,0,0]=4 146 B12R1.21 N=C(/N)\SCc1ccc(cc1)Cl F90 [0,2,0,0,0,0|1,0,1]=4 147 B12R1.21 c1cc(ccc1CCC(=O)N)Br TCF [0,2,0,0,0,0|1,0,0]=3 148 B12R1.21 c1cc(ccc1CCC(=O)N)O SGI [0,2,0,0,0,0|0,0,0]=2 149 B12R1.21 c1cc(ccc1CCC(=O)O)Cl S0W [0,2,0,0,0,0|2,0,0]=4 150 B12R1.21 c1cc(ccc1CCC(=O)O)N AHC [0,2,0,0,0,0|2,0,0]=4 151 B12R1.21 c1cc(ccc1CCC(=O)O)O HPP [0,2,0,0,0,0|1,0,0]=3 152 B12R1.49 C[C@@H](Cc1ccc(cc1)O)NC 1WF [0,2,0,0,0,0|0,0,0]=2 153 B12R1.49 c1cc(ccc1CC(=O)NN)F 45Y [0,2,0,0,0,0|1,0,1]=4 154 B12R1.49 c1cc(ccc1C[C@@H](C=O)N)O TYB [0,2,0,0,0,0|0,0,0]=2 155 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O TYE [0,2,0,0,0,0|0,0,0]=2 156 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH-])O TYR_LL [0,2,0,0,0,0|0,0,1]=3 157 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH-])[O-] TYR_LL_DHH [0,2,0,0,0,0|0,0,2]=4 158 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH3+])O TYR_LSN3 [0,2,0,0,0,0|0,0,1]=3 159 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH3+])[O-] TYR_LSN3_DHH [0,2,0,0,0,0|0,0,2]=4 160 B12R1.4 COc1ccc(cc1)CC(=O)N ZHZ [0,2,0,0,0,0|0,0,1]=3 161 B12R1.4 N=C(/N)\Nc1ccc(cc1)CO 1JZ [0,2,0,0,0,0|1,0,1]=4 162 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)O 3C4 [0,2,0,0,0,0|1,0,1]=4 163 B12R1.19 c1cc(c(cc1CC(=O)O)O)O DHY [0,2,0,0,0,0|1,0,1]=4 164 B12R1.19 c1cc(c(cc1CC(=O)O)O)O HAA [0,2,0,0,0,0|1,0,1]=4 165 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)O D4P [0,2,0,0,0,0|1,0,1]=4 166 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)O)O HHH [0,2,0,0,0,0|1,0,1]=4 167 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O DGH [0,2,0,0,0,0|1,0,1]=4 168 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O GHP [0,2,0,0,0,0|1,0,1]=4 169 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O NTY [0,2,0,0,0,0|1,0,1]=4 170 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O LNR [0,2,0,0,0,0|0,0,0]=2 171 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O LT4 [0,2,0,0,0,0|0,0,0]=2 172 B12R1.1703 CCC(=O)c1ccc(cc1O)O 2FY [0,2,0,0,0,0|1,0,1]=4 173 B12R1.113 c1cc(ccc1CCN)[S@@](=O)O 2AB [0,2,0,0,0,0|0,0,0]=2 174 B12R1.286 CCc1cc(ccc1O)CCN AEH [0,2,0,0,0,0|0,0,0]=2 175 B12R1.286 COc1cc(ccc1O)CC=C EOL [0,2,0,0,0,0|1,0,1]=4 176 B10R2.6 c1ccc(cc1)[C@@H]2CO2 RSO [1,0,0,1,0,0|1,0,0]=3 177 B10R2.7 c1ccc2c(c1)CC=C2 DEN [1,0,0,1,0,0|1,0,1]=4 178 B10R2.7 c1ccc2c(c1)CCC2 16N [1,0,0,1,0,0|1,0,0]=3 179 B10R2.7 c1ccc2c(c1)CCN2 IDM [1,0,0,1,0,0|0,0,0]=2 180 B10R2.7 c1ccc2c(c1)[nH]cn2 BZI [1,0,0,1,0,0|1,0,1]=4 181 B10R2.7 c1ccc2c(c1)[nH]nn2 0CT [1,0,0,1,0,0|2,0,0]=4 182 B10R2.7 c1ccc2c(c1)cc[nH]2 IND [1,0,0,1,0,0|0,0,2]=4 183 B10R2.7 c1ccc2c(c1)cn[nH]2 LZ1 [1,0,0,1,0,0|1,0,1]=4 184 B12R2.24 c1cc2c(cc1I)CNCC2 IDI [0,1,0,1,0,0|1,0,0]=3 185 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 1P8 [0,1,0,1,0,0|1,0,1]=4 186 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 ES2 [0,1,0,1,0,0|1,0,1]=4 187 B12R2.606 c1cc2c(cc1O)nc([nH]2)N 172 [0,1,0,1,0,0|1,0,1]=4 188 B12R2.612 Cc1c2ccc(cc2[nH]n1)O XQ0 [0,1,0,1,0,0|1,0,1]=4 189 B12R2.44 COc1ccc2c(c1)[nH]cn2 5OB [0,1,0,1,0,0|1,0,1]=4 190 B12R2.100 c1c[nH]c2c1cc(c(c2)O)O 3ID [0,1,0,1,0,0|0,0,2]=4 191 B8R1.8 c1c(nc[nH]1)CCN HSM [1,0,0,0,1,0|2,0,0]=4 192 B8R1.8 c1cc(oc1)CCN 56T [1,0,0,0,1,0|1,0,0]=3