0 B10R1.1 c1cc(ccc1CC#N)O 3AQ [0,0,0,0,0,0|1,0,2]=3 1 B10R1.1 c1cc(ccc1CCN)O AEF [0,0,0,0,0,0|1,0,0]=1 2 B10R1.1 c1cc(ccc1CCO)F 4FA [0,0,0,0,0,0|1,0,0]=1 3 B10R1.1 c1cc(ccc1CCO)O YRL [0,0,0,0,0,0|2,0,0]=2 4 B9R1.1 C=Cc1ccc(cc1)O 4VP [1,0,0,0,0,0|1,0,2]=4 5 B9R1.1 CCc1ccc(cc1)O ETY [1,0,0,0,0,0|1,0,0]=2 6 B9R1.1 COc1ccc(cc1)Br BOP [1,0,0,0,0,0|1,1,0]=3 7 B9R1.1 COc1ccc(cc1)O 4KS [1,0,0,0,0,0|2,0,0]=3 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|1,0,2]=4 12 B9R1.1 c1cc(ccc1C=O)O HBA [1,0,0,0,0,0|2,0,1]=4 13 B9R1.1 c1cc(ccc1CN)Br PZH [1,0,0,0,0,0|0,1,0]=2 14 B9R1.1 c1cc(ccc1CN)Cl C2B [1,0,0,0,0,0|0,1,0]=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|1,1,0]=3 17 B9R1.1 c1cc(ccc1CO)Cl 4JL [1,0,0,0,0,0|1,1,0]=3 18 B9R1.1 c1cc(ccc1C[NH3+])F FBA [1,0,0,0,0,0|0,0,1]=2 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|1,1,1]=4 35 B11R1.1 c1cc(ncc1Cl)SCCO YPN [0,1,0,0,0,0|2,1,0]=4 36 B11R1.20 C[C@H](Cc1ccc(cc1)O)N AEG [0,1,0,0,0,0|1,0,0]=2 37 B11R1.20 c1cc(ccc1CC(=O)O)O 4HP [0,1,0,0,0,0|2,0,1]=4 38 B11R1.22 c1cc(ccc1C(=O)CN)Br 47A [0,1,0,0,0,0|0,1,1]=3 39 B11R1.22 c1cc(ccc1C(=O)NN)O HDH [0,1,0,0,0,0|2,0,1]=4 40 B11R1.22 c1cc(ccc1[C@@H](C#N)O)O DHR [0,1,0,0,0,0|1,0,2]=4 41 B11R1.22 c1cc(ccc1[C@@H](CN)O)F 489 [0,1,0,0,0,0|0,0,0]=1 42 B11R1.22 c1cc(ccc1[C@@H](CN)O)O OTS [0,1,0,0,0,0|1,0,0]=2 43 B11R1.22 c1cc(ccc1[C@H](CN)O)O OTR [0,1,0,0,0,0|1,0,0]=2 44 B11R1.22 c1cc(ccc1\C(=N\O)\N)F ZYB [0,1,0,0,0,0|2,0,1]=4 45 B11R1.83 COc1ccc(cc1)CCN ZHH [0,1,0,0,0,0|1,0,0]=2 46 B11R1.192 c1cc(c(cc1CCN)Cl)Cl 42J [0,1,0,0,0,0|0,1,0]=2 47 B11R1.192 c1cc(c(cc1CCN)O)O LDP [0,1,0,0,0,0|1,0,0]=2 48 B11R2.36 Cc1ccc2c(c1)[nH]cn2 5MB [0,0,0,1,0,0|2,0,1]=4 49 B11R2.36 c1cc(cc2c1cc[nH]2)Br FK1 [0,0,0,1,0,0|0,1,2]=4 50 B11R2.36 c1cc(cc2c1cc[nH]2)O F60 [0,0,0,1,0,0|1,0,2]=4 51 B11R2.36 c1cc2c(cc1O)OCO2 BZX [0,0,0,1,0,0|3,0,0]=4 52 B11R2.36 c1cc2c(cc[nH]2)cc1F 14O [0,0,0,1,0,0|2,0,1]=4 53 B11R2.36 c1cc2cn[nH]c2cc1N 6AI [0,0,0,1,0,0|2,0,1]=4 54 B11R2.36 c1cc2cn[nH]c2cc1O 2K4 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.2 B1(C=CC=CN1)CC 6OQ [2,0,0,0,0,0|2,0,0]=4 56 B8R1.2 B1C=CC=CN1CC B24 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.2 C=Cc1ccccc1 SYN [2,0,0,0,0,0|0,0,2]=4 58 B8R1.2 CCc1ccccc1 N2B [2,0,0,0,0,0|0,0,0]=2 59 B8R1.2 CCc1ccccc1 PYJ [2,0,0,0,0,0|0,0,0]=2 60 B8R1.2 CNc1ccccc1 1MR [2,0,0,0,0,0|1,0,0]=3 61 B8R1.2 COc1cccnc1 282 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.2 CSc1ccccc1 16R [2,0,0,0,0,0|1,0,0]=3 63 B8R1.2 c1cc(cnc1)CN 0YC [2,0,0,0,0,0|1,0,0]=3 64 B8R1.2 c1cc(cnc1)CO PYF [2,0,0,0,0,0|2,0,0]=4 65 B8R1.2 c1cc(cnc1)CS PY2 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.2 c1ccc(cc1)C=O HBX [2,0,0,0,0,0|1,0,1]=4 67 B8R1.2 c1ccc(cc1)CCl 9CL [2,0,0,0,0,0|1,0,0]=3 68 B8R1.2 c1ccc(cc1)CN ABN [2,0,0,0,0,0|0,0,0]=2 69 B8R1.2 c1ccc(cc1)CO 010 [2,0,0,0,0,0|1,0,0]=3 70 B8R1.2 c1ccc(cc1)N=O NBE [2,0,0,0,0,0|2,0,0]=4 71 B8R1.2 c1ccc(cc1)NN PHZ [2,0,0,0,0,0|1,0,0]=3 72 B8R1.2 c1ccc(cc1)[As]=O PA0 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.2 c1ccnc(c1)CN APY [2,0,0,0,0,0|1,0,0]=3 74 B8R1.2 c1cnccc1CN NNW [2,0,0,0,0,0|1,0,0]=3 75 B8R1.2 c1cnccc1CO PY7 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.3 C1=CC(=O)C=CC1=O PLQ [2,0,0,0,0,0|2,0,0]=4 77 B8R1.3 Cc1ccc(cc1)C PXY [2,0,0,0,0,0|1,0,0]=3 78 B8R1.3 Cc1ccc(cc1)N 4MN [2,0,0,0,0,0|1,0,0]=3 79 B8R1.3 Cc1ccc(cc1)O PCR [2,0,0,0,0,0|1,0,0]=3 80 B8R1.3 Cc1ccc(nc1)N LG4 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.3 c1cc(ccc1N)O 4NL [2,0,0,0,0,0|1,0,0]=3 82 B8R1.3 c1cc(ccc1O)Br BML [2,0,0,0,0,0|1,1,0]=4 83 B8R1.3 c1cc(ccc1O)Cl 4CH [2,0,0,0,0,0|1,1,0]=4 84 B8R1.3 c1cc(ccc1O)F FPN [2,0,0,0,0,0|1,0,0]=3 85 B8R1.3 c1cc(ccc1O)I IOL [2,0,0,0,0,0|1,1,0]=4 86 B8R1.3 c1cc(ccc1O)O HQE [2,0,0,0,0,0|2,0,0]=4 87 B8R1.3 c1cc(ccc1S)Br 2XE [2,0,0,0,0,0|1,1,0]=4 88 B8R1.3 c1cc(ncc1N)Br 4JN [2,0,0,0,0,0|1,1,0]=4 89 B8R1.3 c1cc(ncc1N)N DA1 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.3 COc1ccc(cc1)CN PZM [1,1,0,0,0,0|1,0,0]=3 91 B10R1.3 c1cc(ccc1CN)CO 4AL [1,1,0,0,0,0|1,0,0]=3 92 B10R1.13 CC(=O)c1ccc(cc1)Br PBP [1,1,0,0,0,0|0,1,1]=4 93 B10R1.13 CC(=O)c1ccc(cc1)O AC6 [1,1,0,0,0,0|1,0,1]=4 94 B10R1.13 CC(C)c1ccc(cc1)N ISO [1,1,0,0,0,0|1,0,0]=3 95 B10R1.13 Cc1ccc(cc1)C(C)C MML [1,1,0,0,0,0|1,0,0]=3 96 B10R1.13 c1cc(ccc1C(=O)N)O HBD [1,1,0,0,0,0|1,0,1]=4 97 B10R1.13 c1cc(ccc1C(=O)O)F 1Y6 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.13 c1cc(ccc1C(=[NH2+])N)N PBZ [1,1,0,0,0,0|1,0,1]=4 99 B10R1.25 COc1ccc(cc1F)N 71B [1,1,0,0,0,0|2,0,0]=4 100 B10R1.25 Cc1ccc(c(c1)N)OC ZZT [1,1,0,0,0,0|2,0,0]=4 101 B10R1.25 c1cc(c(cc1F)F)CO 24B [1,1,0,0,0,0|1,0,0]=3 102 B10R1.4 C1=CC=[N](C(=C1)N)CCO 1LN [1,1,0,0,0,0|2,0,0]=4 103 B10R1.4 C=CCc1ccccc1O 2LP [1,1,0,0,0,0|1,0,1]=4 104 B10R1.4 CCCc1ccccc1N PRY [1,1,0,0,0,0|1,0,0]=3 105 B10R1.4 CCCc1ccccc1O JZ4 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.4 CCOc1ccccc1O 261 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.4 c1ccc(c(c1)CCN)F BSX [1,1,0,0,0,0|0,0,0]=2 108 B10R1.15 C#C[C@H](c1ccccc1)O 1DJ [1,1,0,0,0,0|1,0,1]=4 109 B10R1.15 CCC(=O)c1ccccc1 I1E [1,1,0,0,0,0|1,0,1]=4 110 B10R1.15 CC[C@@H](C)c1ccccc1 3GY [1,1,0,0,0,0|1,0,0]=3 111 B10R1.15 C[C@H](C=O)c1ccccc1 1LP [1,1,0,0,0,0|1,0,1]=4 112 B10R1.15 c1ccc(cc1)C(=O)CO HXT [1,1,0,0,0,0|1,0,1]=4 113 B10R1.15 c1ccc(cc1)C(=O)NN WM4 [1,1,0,0,0,0|1,0,1]=4 114 B10R1.15 c1ccc(cc1)[C@@H](C#N)O MNN [1,1,0,0,0,0|0,0,2]=4 115 B10R1.15 c1ccc(cc1)[C@H](C#N)O MXN [1,1,0,0,0,0|0,0,2]=4 116 B10R1.15 c1ccc(cc1)[C@H](CO)O FEH [1,1,0,0,0,0|1,0,0]=3 117 B10R1.17 C=CCNc1ccccc1 NYL [1,1,0,0,0,0|1,0,1]=4 118 B10R1.17 CCCCc1ccccc1 N4B [1,1,0,0,0,0|1,0,0]=3 119 B10R1.17 c1ccc(cc1)CCC=O 3PL [1,1,0,0,0,0|1,0,0]=3 120 B10R1.17 c1ccc(cc1)CCCCl LT1 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.17 c1ccc(cc1)CCC[NH3+] PRA [1,1,0,0,0,0|0,0,1]=3 122 B10R1.17 c1ccc(cc1)CNC=O BNF [1,1,0,0,0,0|1,0,1]=4 123 B10R1.17 c1ccc(cc1)CNC=S 9BE [1,1,0,0,0,0|1,0,1]=4 124 B10R1.17 c1ccc(cc1)COC=O BZO [1,1,0,0,0,0|1,0,1]=4 125 B10R1.17 c1ccc(cc1)COC=O CBZ [1,1,0,0,0,0|1,0,1]=4 126 B10R1.17 c1ccc(cc1)NCC#N 264 [1,1,0,0,0,0|0,0,2]=4 127 B10R1.17 c1ccc(cc1)OCCCl 258 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.17 c1ccc(cc1)OCCO 268 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.17 c1cnccc1NCCN 01R [1,1,0,0,0,0|1,0,0]=3 130 B10R1.18 CC(C)Cc1ccccc1 I4B [1,1,0,0,0,0|1,0,0]=3 131 B10R1.18 C[C@@H](Cc1ccccc1)N 1WE [1,1,0,0,0,0|0,0,0]=2 132 B10R1.18 C[C@H](Cc1ccccc1)N FRD [1,1,0,0,0,0|0,0,0]=2 133 B10R1.18 N=C(\N)/Nc1ccccc1 PL0 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.18 c1ccc(cc1)CC(=O)O PAC [1,1,0,0,0,0|1,0,1]=4 135 B10R1.18 c1ccc(cc1)NC(=O)N PHU [1,1,0,0,0,0|1,0,1]=4 136 B10R1.18 c1ccc(cc1)NC(=S)N URS [1,1,0,0,0,0|1,0,1]=4 137 B12R1.1 c1cc(ccc1CCNC=S)O 4MT [0,2,0,0,0,0|1,0,0]=3 138 B12R1.21 Cc1ccc(cc1)CCC(=O)O PPT [0,2,0,0,0,0|2,0,0]=4 139 B12R1.21 N=C(/N)\SCc1ccc(cc1)Cl F90 [0,2,0,0,0,0|0,1,1]=4 140 B12R1.21 c1cc(ccc1CCC(=O)N)Br TCF [0,2,0,0,0,0|0,1,0]=3 141 B12R1.21 c1cc(ccc1CCC(=O)N)O SGI [0,2,0,0,0,0|1,0,0]=3 142 B12R1.21 c1cc(ccc1CCC(=O)O)Cl S0W [0,2,0,0,0,0|1,1,0]=4 143 B12R1.21 c1cc(ccc1CCC(=O)O)N AHC [0,2,0,0,0,0|2,0,0]=4 144 B12R1.21 c1cc(ccc1CCC(=O)O)O HPP [0,2,0,0,0,0|2,0,0]=4 145 B12R1.49 C[C@@H](Cc1ccc(cc1)O)NC 1WF [0,2,0,0,0,0|1,0,0]=3 146 B12R1.49 c1cc(ccc1CC(=O)NN)F 45Y [0,2,0,0,0,0|0,0,1]=3 147 B12R1.49 c1cc(ccc1C[C@@H](C=O)N)O TYB [0,2,0,0,0,0|1,0,0]=3 148 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O TYE [0,2,0,0,0,0|1,0,0]=3 149 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH-])O TYR_LL [0,2,0,0,0,0|1,0,1]=4 150 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH-])[O-] TYR_LL_DHH [0,2,0,0,0,0|1,0,1]=4 151 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH3+])O TYR_LSN3 [0,2,0,0,0,0|1,0,1]=4 152 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH3+])[O-] TYR_LSN3_DHH [0,2,0,0,0,0|1,0,1]=4 153 B12R1.4 COc1ccc(cc1)CC(=O)N ZHZ [0,2,0,0,0,0|1,0,1]=4 154 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O LNR [0,2,0,0,0,0|1,0,0]=3 155 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O LT4 [0,2,0,0,0,0|1,0,0]=3 156 B12R1.113 c1cc(ccc1CCN)[S@@](=O)O 2AB [0,2,0,0,0,0|1,0,0]=3 157 B12R1.286 CCc1cc(ccc1O)CCN AEH [0,2,0,0,0,0|1,0,0]=3 158 B10R2.6 c1ccc(cc1)[C@@H]2CO2 RSO [1,0,0,1,0,0|1,0,0]=3 159 B10R2.7 c1ccc2c(c1)CC=C2 DEN [1,0,0,1,0,0|1,0,1]=4 160 B10R2.7 c1ccc2c(c1)CCC2 16N [1,0,0,1,0,0|1,0,0]=3 161 B10R2.7 c1ccc2c(c1)CCN2 IDM [1,0,0,1,0,0|0,0,0]=2 162 B10R2.7 c1ccc2c(c1)[nH]cn2 BZI [1,0,0,1,0,0|1,0,1]=4 163 B10R2.7 c1ccc2c(c1)[nH]nn2 0CT [1,0,0,1,0,0|2,0,0]=4 164 B10R2.7 c1ccc2c(c1)cc[nH]2 IND [1,0,0,1,0,0|0,0,2]=4 165 B10R2.7 c1ccc2c(c1)cn[nH]2 LZ1 [1,0,0,1,0,0|1,0,1]=4 166 B12R2.24 c1cc2c(cc1I)CNCC2 IDI [0,1,0,1,0,0|0,1,0]=3 167 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 1P8 [0,1,0,1,0,0|0,1,1]=4 168 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 ES2 [0,1,0,1,0,0|0,1,1]=4 169 B12R2.606 c1cc2c(cc1F)[nH]c(n2)N ET2 [0,1,0,1,0,0|1,0,1]=4 170 B12R2.606 c1cc2c(cc1F)sc(n2)N FBB [0,1,0,1,0,0|1,0,1]=4 171 B8R1.8 c1c(nc[nH]1)CCN HSM [1,0,0,0,1,0|2,0,0]=4 172 B8R1.8 c1cc(oc1)CCN 56T [1,0,0,0,1,0|1,0,0]=3