0 B11R2.1 B1(c2ccccc2CO1)O 6M9 [0,0,0,0,0,0|3,0,0]=3 1 B11R2.1 Cc1c2ccccc2n[nH]1 0RW [0,0,0,0,0,0|2,0,1]=3 2 B11R2.1 c1ccc2c(c1)CCC2=O 1ON [0,0,0,0,0,0|2,0,1]=3 3 B11R2.1 c1ccc2c(c1)c(n[nH]2)N JNZ [0,0,0,0,0,0|2,0,0]=2 4 B11R2.1 c1ccc2c(c1)c(no2)N HLR [0,0,0,0,0,0|1,0,0]=1 5 B11R2.1 c1ccc2c(c1)c[nH]c2N F05 [0,0,0,0,0,0|2,0,1]=3 6 B10R2.7 c1cc2c(cc[nH]2)nc1 4JP [1,0,0,0,0,0|3,0,0]=4 7 B10R2.7 c1cc2cc[nH]c2nc1 GVH [1,0,0,0,0,0|3,0,0]=4 8 B10R2.7 c1cc[n+]2cc[nH]c2c1 MPI [1,0,0,0,0,0|3,0,0]=4 9 B10R2.7 c1ccc2c(c1)CC=C2 DEN [1,0,0,0,0,0|2,0,0]=3 10 B10R2.7 c1ccc2c(c1)CCC2 16N [1,0,0,0,0,0|2,0,1]=4 11 B10R2.7 c1ccc2c(c1)CCN2 IDM [1,0,0,0,0,0|2,0,1]=4 12 B10R2.7 c1ccc2c(c1)[nH]cn2 BZI [1,0,0,0,0,0|3,0,0]=4 13 B10R2.7 c1ccc2c(c1)[nH]nn2 0CT [1,0,0,0,0,0|2,0,0]=3 14 B10R2.7 c1ccc2c(c1)cc[nH]2 IND [1,0,0,0,0,0|2,0,0]=3 15 B10R2.7 c1ccc2c(c1)cco2 BZF [1,0,0,0,0,0|1,0,0]=2 16 B10R2.7 c1ccc2c(c1)cn[nH]2 LZ1 [1,0,0,0,0,0|1,0,0]=2 17 B10R2.7 c1ccc2c(c1)cno2 0R1 [1,0,0,0,0,0|0,0,0]=1 18 B10R2.7 c1ccc2c(c1)ncs2 BOT [1,0,0,0,0,0|2,1,0]=4 19 B10R2.7 c1cncc2c1[nH]nc2 PZR [1,0,0,0,0,0|2,0,0]=3 20 B12R2.1 c1ccc2c(c1)c(c[nH]2)C=O I3A [0,1,0,0,0,0|2,0,1]=4 21 B12R2.1 c1ccc2c(c1)c(cs2)CN K9S [0,1,0,0,0,0|2,1,0]=4 22 B12R2.1 c1ccc2c(c1)c(cs2)CO 4W1 [0,1,0,0,0,0|1,1,0]=3 23 B12R2.1 c1ccc2c(c1)ncn2CO 7HQ [0,1,0,0,0,0|3,0,0]=4 24 B12R2.18 CC1=C2C=COC=C2OC1=O KKN [0,1,0,0,0,0|3,0,0]=4 25 B12R2.18 CN1Cc2ccccc2C1=O 5WV [0,1,0,0,0,0|1,0,2]=4 26 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 ISN [0,1,0,0,0,0|2,0,1]=4 27 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2O)O 5V4 [0,1,0,0,0,0|2,0,1]=4 28 B12R2.132 c1cc2c(cc1Br)c(n[nH]2)N 5B1 [0,1,0,0,0,0|2,0,0]=3 29 B12R2.132 c1cc2c(cc1Cl)C(=O)NC2 1P7 [0,1,0,0,0,0|1,0,2]=4 30 B12R2.612 Cc1c2ccc(cc2[nH]n1)O XQ0 [0,1,0,0,0,0|2,0,0]=3 31 B12R2.2028 Cn1cc(c2c1cccc2)O MHD [0,1,0,0,0,0|2,0,0]=3 32 B12R2.2028 c1ccc2c(c1)c([nH]c2N)N 1XN [0,1,0,0,0,0|2,0,1]=4 33 B12R2.2403 [B+]1(c2ccccc2CO1)(O)O 6M4 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.15 C#C[C@H](c1ccccc1)O 1DJ [0,0,1,0,0,0|2,0,1]=4 35 B10R1.15 CCC(=O)c1ccccc1 I1E [0,0,1,0,0,0|2,0,1]=4 36 B10R1.15 N=N\C(=O)c1ccncc1 ISZ [0,0,1,0,0,0|2,0,1]=4 37 B10R1.15 c1ccc(cc1)C(=O)CO HXT [0,0,1,0,0,0|1,0,1]=3 38 B10R1.15 c1ccc(cc1)C(=O)NN WM4 [0,0,1,0,0,0|1,0,2]=4 39 B10R1.15 c1ccc(cc1)C(=O)NO BHO [0,0,1,0,0,0|0,0,2]=3 40 B10R1.15 c1ccc(cc1)N(N=O)O CFI [0,0,1,0,0,0|1,0,1]=3 41 B10R1.15 c1ccc(cc1)[C@@H](C#N)O MNN [0,0,1,0,0,0|2,0,1]=4 42 B10R1.15 c1ccc(cc1)[C@H](C#N)O MXN [0,0,1,0,0,0|2,0,1]=4 43 B10R1.15 c1ccc(cc1)[C@H](CO)O FEH [0,0,1,0,0,0|1,0,1]=3 44 B10R1.17 C=CCNc1ccccc1 NYL [0,0,1,0,0,0|3,0,0]=4 45 B10R1.17 c1ccc(cc1)CCC=O 3PL [0,0,1,0,0,0|2,0,1]=4 46 B10R1.17 c1ccc(cc1)CNC=O BNF [0,0,1,0,0,0|1,0,2]=4 47 B10R1.17 c1ccc(cc1)CNC=S 9BE [0,0,1,0,0,0|1,1,1]=4 48 B10R1.17 c1ccc(cc1)COC=O BZO [0,0,1,0,0,0|2,0,1]=4 49 B10R1.17 c1ccc(cc1)COC=O CBZ [0,0,1,0,0,0|2,0,1]=4 50 B10R1.17 c1ccc(cc1)OCCCl 258 [0,0,1,0,0,0|2,0,1]=4 51 B10R1.17 c1ccc(cc1)OCCO 268 [0,0,1,0,0,0|1,0,1]=3 52 B10R1.20 CCc1ccccc1CO 12M [0,0,1,0,0,0|2,0,1]=4 53 B10R1.61 C1=CNC(=O)C(=C1)C(=O)O ES6 [0,0,1,0,0,0|2,0,1]=4 54 B10R1.61 CC(=O)c1ccccc1N VNJ [0,0,1,0,0,0|2,0,1]=4 55 B10R1.61 CC(C)c1ccccc1O IP0 [0,0,1,0,0,0|2,0,1]=4 56 B10R1.61 Cc1ccccc1C(=O)O 3SK [0,0,1,0,0,0|2,0,0]=3 57 B10R1.61 c1cc(c(nc1)C(=O)O)O MHW [0,0,1,0,0,0|2,0,0]=3 58 B10R1.61 c1cc(c(nc1)C(=O)O)S 1WD [0,0,1,0,0,0|2,1,0]=4 59 B10R1.61 c1ccc(c(c1)C(=O)N)N 2AE [0,0,1,0,0,0|1,0,2]=4 60 B10R1.61 c1ccc(c(c1)C(=O)N)O OHB [0,0,1,0,0,0|0,0,2]=3 61 B10R1.61 c1ccc(c(c1)C(=O)O)F 3U4 [0,0,1,0,0,0|2,0,0]=3 62 B10R1.61 c1ccc(c(c1)C(=O)O)N 6AB [0,0,1,0,0,0|2,0,0]=3 63 B10R1.61 c1ccc(c(c1)C(=O)O)N BE2 [0,0,1,0,0,0|2,0,0]=3 64 B10R1.61 c1ccc(c(c1)C(=O)O)O SAL [0,0,1,0,0,0|1,0,0]=2 65 B10R1.61 c1ccc(c(c1)C(=O)O)S JKE [0,0,1,0,0,0|1,1,0]=3 66 B10R1.61 c1ccc(c(c1)[N+](=O)O)O CG3 [0,0,1,0,0,0|2,0,0]=3 67 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O OPO [0,0,1,0,0,0|2,0,1]=4 68 B10R1.61 c1cncc(c1C(=O)O)N 4SV [0,0,1,0,0,0|3,0,0]=4 69 B12R2.24 c1ccc2c(c1)C=CC(=O)N2 OCH [0,0,0,0,0,1|2,0,1]=4 70 B12R2.24 c1ccc2c(c1)C=CC(=O)O2 COU [0,0,0,0,0,1|2,0,1]=4 71 B12R2.24 c1ccc2c(c1)N=C(CS2)N 4JT [0,0,0,0,0,1|2,1,0]=4 72 B12R2.24 c1ccc2c(c1)cc(cn2)N 4FS [0,0,0,0,0,1|3,0,0]=4 73 B12R2.24 c1ccc2c(c1)ccc(n2)N 2AQ [0,0,0,0,0,1|3,0,0]=4 74 B12R2.24 c1ccc2cc(ccc2c1)O 03V [0,0,0,0,0,1|2,0,0]=3 75 B12R2.1081 c1cc2c(cccn2)c(c1)O 5Q0 [0,0,0,0,0,1|3,0,0]=4 76 B12R2.1081 c1cc2cccnc2c(c1)O HQY [0,0,0,0,0,1|3,0,0]=4 77 B12R2.1081 c1cc2cnccc2c(c1)O 5SG [0,0,0,0,0,1|3,0,0]=4 78 B12R2.1081 c1ccc2c(c1)C(=O)N=CN2 JPZ [0,0,0,0,0,1|1,0,1]=3 79 B12R2.1081 c1ccc2c(c1)C=CNC2=O 4YS [0,0,0,0,0,1|1,0,2]=4 80 B12R2.1081 c1ccc2c(c1)CCNC2=O JOZ [0,0,0,0,0,1|1,0,2]=4 81 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N 1XY [0,0,0,0,0,1|2,0,1]=4 82 B12R2.1081 c1ccc2c(c1)c(ccn2)N 1LM [0,0,0,0,0,1|3,0,0]=4 83 B12R2.1081 c1ccc2c(c1)c(ccn2)O ES1 [0,0,0,0,0,1|2,0,0]=3 84 B12R2.1081 c1ccc2c(c1)c(ncn2)N 1LQ [0,0,0,0,0,1|2,0,0]=3 85 B12R2.1081 c1ccc2c(c1)cccc2Cl 15O [0,0,0,0,0,1|3,0,0]=4 86 B12R2.1081 c1ccc2c(c1)cccc2O 1NP [0,0,0,0,0,1|2,0,0]=3 87 B12R2.1081 c1ccc2c(c1)cccc2S 2XH [0,0,0,0,0,1|2,1,0]=4 88 B12R2.1081 c1ccc2c(c1)ccnc2N 1SQ [0,0,0,0,0,1|2,0,0]=3 89 B9R1.6 B(c1ccccc1)(O)O PBC [1,0,1,0,0,0|1,0,0]=3 90 B9R1.6 CC(=O)c1ccccc1 AC0 [1,0,1,0,0,0|1,0,1]=4 91 B9R1.6 C[C@@H](c1ccccc1)O SS1 [1,0,1,0,0,0|1,0,1]=4 92 B9R1.6 C[C@H](c1ccccc1)O SS2 [1,0,1,0,0,0|1,0,1]=4 93 B9R1.6 N=C(/c1ccccc1)\N BEN [1,0,1,0,0,0|1,0,0]=3 94 B9R1.6 c1cc(cnc1)C(=O)O NIO [1,0,1,0,0,0|1,0,1]=4 95 B9R1.6 c1ccc(cc1)C(=N)N BDN [1,0,1,0,0,0|1,0,0]=3 96 B9R1.6 c1ccc(cc1)C(=O)N UNU [1,0,1,0,0,0|0,0,2]=4 97 B9R1.6 c1ccc(cc1)C(=O)O BEZ [1,0,1,0,0,0|0,0,1]=3 98 B9R1.6 c1ccc(cc1)C(=O)O BOX [1,0,1,0,0,0|0,0,1]=3 99 B9R1.6 c1ccc(cc1)C(=[NH2+])N BAM [1,0,1,0,0,0|1,0,1]=4 100 B9R1.6 c1ccnc(c1)C(=O)O 6PC [1,0,1,0,0,0|1,0,1]=4 101 B9R1.6 c1cnccc1C(=N)N NTN [1,0,1,0,0,0|2,0,0]=4 102 B9R1.8 CCOc1ccccc1 16Q [1,0,1,0,0,0|1,0,1]=4 103 B9R1.8 c1ccc(cc1)CC=O HY1 [1,0,1,0,0,0|1,0,1]=4 104 B9R1.8 c1ccc(cc1)CCO PEL [1,0,1,0,0,0|1,0,1]=4 105 B9R1.8 c1ccc(cc1)N=C=S FTE [1,0,1,0,0,0|0,1,1]=4 106 B9R1.8 c1ccc(cc1)NC=O FAN [1,0,1,0,0,0|0,0,2]=4 107 B9R1.8 c1ccc(cc1)NC=S 0FI [1,0,1,0,0,0|0,1,1]=4 108 B9R1.15 CCc1ccccc1O JZ1 [1,0,1,0,0,0|1,0,1]=4 109 B9R1.15 COc1ccccc1O JZ3 [1,0,1,0,0,0|1,0,0]=3 110 B9R1.15 c1ccc(c(c1)C#N)O 0R0 [1,0,1,0,0,0|0,0,2]=4 111 B9R1.15 c1ccc(c(c1)C=O)O NK [1,0,1,0,0,0|0,0,1]=3 112 B9R1.15 c1ccc(c(c1)CO)Br 4HR [1,0,1,0,0,0|1,0,1]=4 113 B9R1.15 c1ccc(c(c1)CO)N SOA [1,0,1,0,0,0|0,0,2]=4 114 B9R1.15 c1ccc(c(c1)CO)O SA9 [1,0,1,0,0,0|0,0,1]=3 115 B11R1.16 c1ccc(cc1)C(=O)CCO P18 [0,1,1,0,0,0|1,0,1]=4 116 B11R1.16 c1ccc(cc1)C(=O)NCO 1Q8 [0,1,1,0,0,0|0,0,2]=4 117 B11R1.22 c1cc(ccc1\C(=N\O)\N)F ZYB [0,1,1,0,0,0|1,0,0]=3 118 B11R1.23 c1cc(cc(c1)O)C(=O)NO 069 [0,1,1,0,0,0|0,0,2]=4 119 B11R1.36 c1ccc(cc1)C(=O)C(=O)O 173 [0,1,1,0,0,0|1,0,1]=4 120 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O SMN [0,1,1,0,0,0|1,0,1]=4 121 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O RMN [0,1,1,0,0,0|1,0,1]=4 122 B11R1.222 c1ccc(c(c1)C(=O)NO)O SHA [0,1,1,0,0,0|0,0,2]=4 123 B11R1.91 c1ccc(cc1)/C=C/C(=O)O TCA [0,1,1,0,0,0|2,0,0]=4 124 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [0,1,1,0,0,0|2,0,0]=4 125 B11R1.91 c1ccc(cc1)CNC(=O)O PMQ [0,1,1,0,0,0|1,0,1]=4 126 B11R1.91 c1ccc(cc1)COC(=O)O BGG [0,1,1,0,0,0|2,0,0]=4 127 B11R1.91 c1ccc(cc1)OCC(=O)N PO6 [0,1,1,0,0,0|1,0,1]=4 128 B11R1.91 c1ccc(cc1)OCC(=O)O 06Y [0,1,1,0,0,0|1,0,0]=3 129 B11R1.53 COc1ccccc1C(=O)O 71F [0,1,1,0,0,0|1,0,0]=3 130 B11R1.156 Cc1cccc(c1C(=O)O)N 6M1 [0,1,1,0,0,0|2,0,0]=4 131 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N 6F0 [0,1,1,0,0,0|2,0,0]=4 132 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O GRE [0,1,1,0,0,0|1,0,0]=3 133 B11R1.159 Cc1c(cccc1O)C(=O)O PF0 [0,1,1,0,0,0|2,0,0]=4 134 B11R1.159 Cc1cccc(c1N)C(=O)O 3M0 [0,1,1,0,0,0|2,0,0]=4 135 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O 3F0 [0,1,1,0,0,0|2,0,0]=4 136 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O 1CW [0,1,1,0,0,0|1,0,0]=3 137 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O 3HA [0,1,1,0,0,0|2,0,0]=4 138 B11R1.159 c1cc(c(c(c1)O)O)C(=O)N DB1 [0,1,1,0,0,0|0,0,2]=4 139 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O DBH [0,1,1,0,0,0|1,0,0]=3 140 B11R1.166 Cc1ccc(c(c1)N)C(=O)O 4M0 [0,1,1,0,0,0|2,0,0]=4 141 B11R1.166 c1cc(c(cc1F)N)C(=O)O FA0 [0,1,1,0,0,0|2,0,0]=4 142 B11R1.166 c1cc(c(cc1N)O)C(=O)O BHA [0,1,1,0,0,0|1,0,0]=3 143 B11R1.166 c1cc(c(cc1O)O)C(=O)O DOB [0,1,1,0,0,0|1,0,0]=3 144 B11R1.167 Cc1ccc(c(c1)C(=O)O)N 5M0 [0,1,1,0,0,0|2,0,0]=4 145 B11R1.167 Cc1ccc(c(c1)C(=O)O)O 54G [0,1,1,0,0,0|1,0,0]=3 146 B11R1.167 c1cc(c(cc1Br)C(=O)O)N SX1 [0,1,1,0,0,0|2,0,0]=4 147 B11R1.167 c1cc(c(cc1F)C(=O)O)N 5RG [0,1,1,0,0,0|2,0,0]=4 148 B11R1.167 c1cc(c(cc1O)C(=O)O)O GTQ [0,1,1,0,0,0|1,0,0]=3 149 B11R2.10 Cc1cc2ccccc2[nH]1 2MI [1,1,0,0,0,0|2,0,0]=4 150 B11R2.36 Cc1ccc2c(c1)cc[nH]2 5MI [1,1,0,0,0,0|2,0,0]=4 151 B11R2.36 c1cc(cc2c1cc[nH]2)Br FK1 [1,1,0,0,0,0|2,0,0]=4 152 B11R2.36 c1cc(cc2c1cc[nH]2)O F60 [1,1,0,0,0,0|2,0,0]=4 153 B11R2.36 c1cc2c(cc1I)cn[nH]2 8NY [1,1,0,0,0,0|1,0,0]=3 154 B11R2.36 c1cc2c(cc1N)c[nH]n2 70S [1,1,0,0,0,0|1,0,1]=4 155 B11R2.36 c1cc2c(cc1O)OCO2 BZX [1,1,0,0,0,0|2,0,0]=4 156 B11R2.36 c1cc2c(cc[nH]2)cc1Cl 11S [1,1,0,0,0,0|2,0,0]=4 157 B11R2.36 c1cc2c(cc[nH]2)cc1F 14O [1,1,0,0,0,0|2,0,0]=4 158 B11R2.36 c1cc2c(cc[nH]2)cc1O 5H1 [1,1,0,0,0,0|2,0,0]=4 159 B11R2.36 c1cc2cn[nH]c2cc1N 6AI [1,1,0,0,0,0|1,0,0]=3 160 B11R2.36 c1cc2cn[nH]c2cc1O 2K4 [1,1,0,0,0,0|1,0,0]=3 161 B11R2.106 c1cc2cn[nH]c2c(c1)N 10L [1,1,0,0,0,0|1,0,0]=3 162 B13R2.32 c1ccc2c(c1)ccc(c2O)O D1N [0,1,0,0,0,1|2,0,0]=4 163 B13R2.57 c1ccc2c(c1)C[C@@H](CO2)CO BCU [0,1,0,0,0,1|1,0,1]=4 164 B13R2.57 c1ccc2cc(ccc2c1)CO 2NA [0,1,0,0,0,1|2,0,0]=4 165 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 KJU [0,1,0,0,0,1|1,0,1]=4 166 B13R2.328 Cc1cc(nc2c1cccc2)O AJ2 [0,1,0,0,0,1|2,0,0]=4 167 B13R2.328 c1ccc2c(c1)c(nc(n2)N)N Q24 [0,1,0,0,0,1|2,0,0]=4 168 B13R2.369 c1ccc2c(c1)C=C(C(=O)N2)O G3E [0,1,0,0,0,1|2,0,0]=4 169 B13R2.369 c1ccc2c(c1)C=C(C(=O)O2)O SE2 [0,1,0,0,0,1|1,0,0]=3 170 B13R2.5179 c1cc2cc(ccc2c(c1)O)O DIN [0,1,0,0,0,1|2,0,0]=4 171 B13R2.5179 c1cc2cc(cnc2c(c1)N)O A7W [0,1,0,0,0,1|2,0,0]=4 172 B13R2.342 c1cc2c(c(c1)N)CC=NC2=O 32X [0,1,0,0,0,1|1,0,1]=4 173 B13R2.342 c1cc2c(c(c1)O)CC=NC2=O IQD [0,1,0,0,0,1|1,0,1]=4 174 B13R2.371 Cc1c2ccccc2c(nn1)Cl MT0 [0,1,0,0,0,1|2,0,0]=4 175 B13R2.371 c1ccc2c(c1)C(=O)NN=C2Cl 495 [0,1,0,0,0,1|1,0,1]=4 176 B13R2.1613 c1ccc2c(c1)cnnc2NN HLZ [0,1,0,0,0,1|2,0,0]=4 177 B13R2.72 c1ccc2c(c1)c(c[nH]2)C(=O)O ICO [0,2,0,0,0,0|2,0,0]=4 178 B13R2.582 COc1cccc2c1c(no2)N 5WX [0,2,0,0,0,0|1,0,0]=3 179 B13R2.582 c1cc(c2c(c1)[nH]nc2N)C#N YSO [0,2,0,0,0,0|2,0,0]=4 180 B9R0.2 C\C=C\C=C\C=C\C(=O)O OTT [0,0,2,0,0,0|2,0,0]=4 181 B11R2.20 c1ccc2c(c1)cncn2 QUZ [0,0,1,1,0,0|2,0,0]=4 182 B11R2.20 c1ccc2cnccc2c1 ISQ [0,0,1,1,0,0|2,0,0]=4 183 B11R1.86 c1ccc(c(c1)CC(=O)O)O OHP [0,0,1,0,0,1|1,0,0]=3