0 B9R1.8 CCCc1ccccc1 3H0 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.8 CCOc1ccccc1 16Q [0,0,0,0,0,0|2,0,1]=3 2 B9R1.8 CCSc1ccccc1 16M [0,0,0,0,0,0|2,0,1]=3 3 B9R1.8 CNCc1ccccc1 271 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.8 CSCc1ccccc1 PTF [0,0,0,0,0,0|2,0,0]=2 5 B9R1.8 c1cc(cnc1)CCN 45X [0,0,0,0,0,0|2,0,1]=3 6 B9R1.8 c1ccc(cc1)CC=O HY1 [0,0,0,0,0,0|0,0,0]=0 7 B9R1.8 c1ccc(cc1)CCCl CEE [0,0,0,0,0,0|1,0,1]=2 8 B9R1.8 c1ccc(cc1)CCO PEL [0,0,0,0,0,0|0,0,2]=2 9 B9R1.8 c1ccc(cc1)CC[NH3+] PEA [0,0,0,0,0,0|1,0,1]=2 10 B9R1.8 c1ccc(cc1)CNN BZZ [0,0,0,0,0,0|2,0,0]=2 11 B9R1.8 c1ccc(cc1)CON OBZ [0,0,0,0,0,0|2,0,0]=2 12 B9R1.8 c1ccc(cc1)N=C=S FTE [0,0,0,0,0,0|1,1,1]=3 13 B9R1.8 c1ccc(cc1)NC=O FAN [0,0,0,0,0,0|1,0,0]=1 14 B9R1.8 c1ccc(cc1)NC=S 0FI [0,0,0,0,0,0|1,1,0]=2 15 B8R1.2 B1(C=CC=CN1)CC 6OQ [1,0,0,0,0,0|2,0,1]=4 16 B8R1.2 B1C=CC=CN1CC B24 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.2 C=Cc1ccccc1 SYN [1,0,0,0,0,0|0,0,1]=2 18 B8R1.2 CCc1ccccc1 N2B [1,0,0,0,0,0|0,0,1]=2 19 B8R1.2 CCc1ccccc1 PYJ [1,0,0,0,0,0|0,0,1]=2 20 B8R1.2 CNc1ccccc1 1MR [1,0,0,0,0,0|1,0,1]=3 21 B8R1.2 COc1cccnc1 282 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.2 CSc1ccccc1 16R [1,0,0,0,0,0|1,0,1]=3 23 B8R1.2 c1cc(cnc1)CN 0YC [1,0,0,0,0,0|2,0,0]=3 24 B8R1.2 c1cc(cnc1)CO PYF [1,0,0,0,0,0|1,0,1]=3 25 B8R1.2 c1cc(cnc1)CS PY2 [1,0,0,0,0,0|1,1,0]=3 26 B8R1.2 c1ccc(cc1)C=O HBX [1,0,0,0,0,0|0,0,0]=1 27 B8R1.2 c1ccc(cc1)CCl 9CL [1,0,0,0,0,0|1,0,0]=2 28 B8R1.2 c1ccc(cc1)CN ABN [1,0,0,0,0,0|1,0,0]=2 29 B8R1.2 c1ccc(cc1)CO 010 [1,0,0,0,0,0|0,0,1]=2 30 B8R1.2 c1ccc(cc1)N=O NBE [1,0,0,0,0,0|1,0,0]=2 31 B8R1.2 c1ccc(cc1)NN PHZ [1,0,0,0,0,0|2,0,0]=3 32 B8R1.2 c1ccc(cc1)[As]=O PA0 [1,0,0,0,0,0|1,0,0]=2 33 B8R1.2 c1ccnc(c1)CN APY [1,0,0,0,0,0|2,0,0]=3 34 B8R1.2 c1cnccc1CN NNW [1,0,0,0,0,0|2,0,0]=3 35 B8R1.2 c1cnccc1CO PY7 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.1 c1cc(ccc1CC#N)O 3AQ [0,1,0,0,0,0|1,0,1]=3 37 B10R1.1 c1cc(ccc1CCN)O AEF [0,1,0,0,0,0|1,0,1]=3 38 B10R1.1 c1cc(ccc1CCO)F 4FA [0,1,0,0,0,0|0,0,2]=3 39 B10R1.1 c1cc(ccc1CCO)O YRL [0,1,0,0,0,0|0,0,2]=3 40 B10R1.4 C1=CC=[N](C(=C1)N)CCO 1LN [0,1,0,0,0,0|1,0,2]=4 41 B10R1.4 C=CCc1ccccc1O 2LP [0,1,0,0,0,0|1,0,0]=2 42 B10R1.4 CCCc1ccccc1N PRY [0,1,0,0,0,0|1,0,1]=3 43 B10R1.4 CCCc1ccccc1O JZ4 [0,1,0,0,0,0|1,0,1]=3 44 B10R1.4 CCOc1ccccc1O 261 [0,1,0,0,0,0|2,0,1]=4 45 B10R1.4 c1ccc(c(c1)CCN)F BSX [0,1,0,0,0,0|1,0,1]=3 46 B10R1.15 C#C[C@H](c1ccccc1)O 1DJ [0,1,0,0,0,0|1,0,1]=3 47 B10R1.15 CCC(=O)c1ccccc1 I1E [0,1,0,0,0,0|1,0,2]=4 48 B10R1.15 CC[C@@H](C)c1ccccc1 3GY [0,1,0,0,0,0|1,0,1]=3 49 B10R1.15 C[C@H](C=O)c1ccccc1 1LP [0,1,0,0,0,0|0,0,0]=1 50 B10R1.15 c1ccc(cc1)C(=O)CO HXT [0,1,0,0,0,0|0,0,3]=4 51 B10R1.15 c1ccc(cc1)C(=O)NN WM4 [0,1,0,0,0,0|2,0,1]=4 52 B10R1.15 c1ccc(cc1)C(=O)NO BHO [0,1,0,0,0,0|1,0,2]=4 53 B10R1.15 c1ccc(cc1)N(N=O)O CFI [0,1,0,0,0,0|2,0,0]=3 54 B10R1.15 c1ccc(cc1)[C@@H](C#N)O MNN [0,1,0,0,0,0|1,0,1]=3 55 B10R1.15 c1ccc(cc1)[C@H](C#N)O MXN [0,1,0,0,0,0|1,0,1]=3 56 B10R1.15 c1ccc(cc1)[C@H](CO)O FEH [0,1,0,0,0,0|0,0,2]=3 57 B10R1.17 C=CCNc1ccccc1 NYL [0,1,0,0,0,0|1,0,0]=2 58 B10R1.17 CCCCc1ccccc1 N4B [0,1,0,0,0,0|1,0,1]=3 59 B10R1.17 c1cc(cnc1)CNC=S 35J [0,1,0,0,0,0|1,1,0]=3 60 B10R1.17 c1ccc(cc1)CCC=O 3PL [0,1,0,0,0,0|0,0,0]=1 61 B10R1.17 c1ccc(cc1)CCCCl LT1 [0,1,0,0,0,0|1,0,1]=3 62 B10R1.17 c1ccc(cc1)CCC[NH3+] PRA [0,1,0,0,0,0|1,0,1]=3 63 B10R1.17 c1ccc(cc1)CNC=O BNF [0,1,0,0,0,0|0,0,0]=1 64 B10R1.17 c1ccc(cc1)CNC=S 9BE [0,1,0,0,0,0|0,1,0]=2 65 B10R1.17 c1ccc(cc1)COC=O BZO [0,1,0,0,0,0|0,0,0]=1 66 B10R1.17 c1ccc(cc1)COC=O CBZ [0,1,0,0,0,0|0,0,0]=1 67 B10R1.17 c1ccc(cc1)NCC#N 264 [0,1,0,0,0,0|1,0,1]=3 68 B10R1.17 c1ccc(cc1)OCCCl 258 [0,1,0,0,0,0|1,0,1]=3 69 B10R1.17 c1ccc(cc1)OCCO 268 [0,1,0,0,0,0|0,0,2]=3 70 B10R1.17 c1cnccc1NCCN 01R [0,1,0,0,0,0|2,0,1]=4 71 B10R1.18 CC(=O)Oc1ccccc1 QY9 [0,1,0,0,0,0|1,0,0]=2 72 B10R1.18 CC(C)Cc1ccccc1 I4B [0,1,0,0,0,0|1,0,1]=3 73 B10R1.18 C[C@@H](Cc1ccccc1)N 1WE [0,1,0,0,0,0|1,0,1]=3 74 B10R1.18 C[C@H](Cc1ccccc1)N FRD [0,1,0,0,0,0|1,0,1]=3 75 B10R1.18 N=C(\N)/Nc1ccccc1 PL0 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.18 c1ccc(cc1)CC(=O)O PAC [0,1,0,0,0,0|0,0,0]=1 77 B10R1.18 c1ccc(cc1)NC(=O)N PHU [0,1,0,0,0,0|1,0,0]=2 78 B10R1.18 c1ccc(cc1)NC(=S)N URS [0,1,0,0,0,0|1,1,0]=3 79 B10R1.18 c1cnccc1NC(=S)N YS6 [0,1,0,0,0,0|2,1,0]=4 80 B10R2.6 c1ccc(cc1)[C@@H]2CO2 RSO [0,0,0,1,0,0|0,0,2]=3 81 B10R2.7 c1cc2c(cc[nH]2)nc1 4JP [0,0,0,1,0,0|2,0,1]=4 82 B10R2.7 c1cc2cc[nH]c2nc1 GVH [0,0,0,1,0,0|2,0,1]=4 83 B10R2.7 c1cc[n+]2cc[nH]c2c1 MPI [0,0,0,1,0,0|2,0,1]=4 84 B10R2.7 c1ccc2c(c1)CC=C2 DEN [0,0,0,1,0,0|1,0,0]=2 85 B10R2.7 c1ccc2c(c1)CCC2 16N [0,0,0,1,0,0|1,0,1]=3 86 B10R2.7 c1ccc2c(c1)CCN2 IDM [0,0,0,1,0,0|1,0,1]=3 87 B10R2.7 c1ccc2c(c1)[nH]cn2 BZI [0,0,0,1,0,0|2,0,0]=3 88 B10R2.7 c1ccc2c(c1)[nH]nn2 0CT [0,0,0,1,0,0|3,0,0]=4 89 B10R2.7 c1ccc2c(c1)cc[nH]2 IND [0,0,0,1,0,0|1,0,1]=3 90 B10R2.7 c1ccc2c(c1)cco2 BZF [0,0,0,1,0,0|0,0,2]=3 91 B10R2.7 c1ccc2c(c1)cn[nH]2 LZ1 [0,0,0,1,0,0|2,0,1]=4 92 B10R2.7 c1ccc2c(c1)cno2 0R1 [0,0,0,1,0,0|1,0,2]=4 93 B10R2.7 c1ccc2c(c1)ncs2 BOT [0,0,0,1,0,0|1,1,0]=3 94 B8R1.8 c1cc(oc1)CCN 56T [0,0,0,0,1,0|2,0,1]=4 95 B7R1.3 Cc1ccccc1 MBN [2,0,0,0,0,0|0,0,0]=2 96 B7R1.3 Cc1cccnc1 3MP [2,0,0,0,0,0|1,0,0]=3 97 B7R1.3 Cc1ccnnc1 DKG [2,0,0,0,0,0|2,0,0]=4 98 B7R1.3 c1c[nH+]ccc1N 4AP [2,0,0,0,0,0|2,0,0]=4 99 B7R1.3 c1cc(c[nH+]c1)N 3AP [2,0,0,0,0,0|2,0,0]=4 100 B7R1.3 c1cc(cnc1)O 71A [2,0,0,0,0,0|1,0,1]=4 101 B7R1.3 c1cc[n+](cc1)[O-] 9PO [2,0,0,0,0,0|1,0,1]=4 102 B7R1.3 c1cc[nH+]c(c1)N 2AP [2,0,0,0,0,0|2,0,0]=4 103 B7R1.3 c1ccc(cc1)Cl 8CL [2,0,0,0,0,0|1,0,0]=3 104 B7R1.3 c1ccc(cc1)I PIH [2,0,0,0,0,0|1,0,0]=3 105 B7R1.3 c1ccc(cc1)N ANL [2,0,0,0,0,0|1,0,0]=3 106 B7R1.3 c1ccc(cc1)O IPH [2,0,0,0,0,0|0,0,1]=3 107 B7R1.3 c1ccc(cc1)S BT6 [2,0,0,0,0,0|0,1,0]=3 108 B7R1.3 c1ccc(cc1)[Hg] PHG [2,0,0,0,0,0|1,0,0]=3 109 B7R1.3 c1ccnc(c1)S PYS [2,0,0,0,0,0|1,1,0]=4 110 B9R0.2 C\C=C\C=C\C=C\C(=O)O OTT [0,1,1,0,0,0|0,0,2]=4 111 B9R1.1 C=Cc1ccc(cc1)O 4VP [1,1,0,0,0,0|0,0,1]=3 112 B9R1.1 CCc1ccc(cc1)O ETY [1,1,0,0,0,0|0,0,1]=3 113 B9R1.1 COc1ccc(cc1)Br BOP [1,1,0,0,0,0|1,0,1]=4 114 B9R1.1 COc1ccc(cc1)O 4KS [1,1,0,0,0,0|1,0,1]=4 115 B9R1.1 CSc1ccc(cc1)N 4JM [1,1,0,0,0,0|1,0,1]=4 116 B9R1.1 C[n+]1ccc(cc1)CN NNK [1,1,0,0,0,0|2,0,0]=4 117 B9R1.1 Cc1ccc(cc1)CN 02N [1,1,0,0,0,0|1,0,0]=3 118 B9R1.1 c1cc(ccc1C#N)O H8N [1,1,0,0,0,0|1,0,1]=4 119 B9R1.1 c1cc(ccc1C=O)O HBA [1,1,0,0,0,0|0,0,0]=2 120 B9R1.1 c1cc(ccc1CN)Br PZH [1,1,0,0,0,0|1,0,0]=3 121 B9R1.1 c1cc(ccc1CN)Cl C2B [1,1,0,0,0,0|1,0,0]=3 122 B9R1.1 c1cc(ccc1CN)N 4ZY [1,1,0,0,0,0|1,0,0]=3 123 B9R1.1 c1cc(ccc1CO)Br BRB [1,1,0,0,0,0|0,0,1]=3 124 B9R1.1 c1cc(ccc1CO)Cl 4JL [1,1,0,0,0,0|0,0,1]=3 125 B9R1.1 c1cc(ccc1C[NH3+])F FBA [1,1,0,0,0,0|1,0,0]=3 126 B9R1.2 C[n+]1cccc(c1)CN NNJ [1,1,0,0,0,0|2,0,0]=4 127 B9R1.2 Cc1cccc(c1)C#N 2HT [1,1,0,0,0,0|1,0,1]=4 128 B9R1.2 Cc1cccc(c1)CN ZF0 [1,1,0,0,0,0|1,0,0]=3 129 B9R1.2 c1cc(cc(c1)Br)CN 4JH [1,1,0,0,0,0|1,0,0]=3 130 B9R1.2 c1cc(cc(c1)Cl)CN C2A [1,1,0,0,0,0|1,0,0]=3 131 B9R1.2 c1cc(cc(c1)F)CN ZDV [1,1,0,0,0,0|1,0,0]=3 132 B9R1.2 c1cc(cc(c1)I)CO IOB [1,1,0,0,0,0|0,0,1]=3 133 B9R1.2 c1cc(cc(c1)N)C#N 71G [1,1,0,0,0,0|1,0,1]=4 134 B9R1.2 c1cc(cc(c1)N)CN DBP [1,1,0,0,0,0|1,0,0]=3 135 B9R1.2 c1cc(cc(c1)O)CO 3HY [1,1,0,0,0,0|0,0,1]=3 136 B9R1.2 c1cc(nc(c1)Br)CO 4HU [1,1,0,0,0,0|1,0,1]=4 137 B9R1.2 c1cnc(cc1Cl)CN NNY [1,1,0,0,0,0|2,0,0]=4 138 B9R1.2 c1cnc(cc1Cl)CO HM3 [1,1,0,0,0,0|1,0,1]=4 139 B9R1.6 B(c1ccccc1)(O)O PBC [1,1,0,0,0,0|1,0,1]=4 140 B9R1.6 CC(=O)c1ccccc1 AC0 [1,1,0,0,0,0|0,0,0]=2 141 B9R1.6 C[C@@H](c1ccccc1)N 98B [1,1,0,0,0,0|0,0,1]=3 142 B9R1.6 C[C@@H](c1ccccc1)O SS1 [1,1,0,0,0,0|0,0,1]=3 143 B9R1.6 C[C@H](c1ccccc1)N QSC [1,1,0,0,0,0|0,0,1]=3 144 B9R1.6 C[C@H](c1ccccc1)O SS2 [1,1,0,0,0,0|0,0,1]=3 145 B9R1.6 N=C(/c1ccccc1)\N BEN [1,1,0,0,0,0|1,0,0]=3 146 B9R1.6 c1cc(cnc1)C(=O)N NCA [1,1,0,0,0,0|1,0,0]=3 147 B9R1.6 c1cc(cnc1)C(=O)O NIO [1,1,0,0,0,0|1,0,0]=3 148 B9R1.6 c1ccc(cc1)C(=N)N BDN [1,1,0,0,0,0|1,0,0]=3 149 B9R1.6 c1ccc(cc1)C(=O)N UNU [1,1,0,0,0,0|0,0,0]=2 150 B9R1.6 c1ccc(cc1)C(=O)O BEZ [1,1,0,0,0,0|0,0,0]=2 151 B9R1.6 c1ccc(cc1)C(=O)O BOX [1,1,0,0,0,0|0,0,0]=2 152 B9R1.6 c1ccc(cc1)C(=[NH2+])N BAM [1,1,0,0,0,0|1,0,0]=3 153 B9R1.6 c1ccc(cc1)[N+](=O)[O-] NBZ [1,1,0,0,0,0|1,0,0]=3 154 B9R1.6 c1ccnc(c1)C(=O)N WM1 [1,1,0,0,0,0|1,0,0]=3 155 B9R1.6 c1ccnc(c1)C(=O)O 6PC [1,1,0,0,0,0|1,0,0]=3 156 B9R1.6 c1cnc(cn1)C(=O)N PZA [1,1,0,0,0,0|2,0,0]=4 157 B9R1.6 c1cnc(cn1)C(=O)O VGL [1,1,0,0,0,0|2,0,0]=4 158 B9R1.6 c1cnccc1C(=N)N NTN [1,1,0,0,0,0|2,0,0]=4 159 B9R1.15 CCc1ccccc1O JZ1 [1,1,0,0,0,0|0,0,1]=3 160 B9R1.15 COc1ccccc1O JZ3 [1,1,0,0,0,0|1,0,1]=4 161 B9R1.15 C[n+]1ccccc1C=C 286 [1,1,0,0,0,0|1,0,1]=4 162 B9R1.15 C[n+]1ccccc1CN NNZ [1,1,0,0,0,0|2,0,0]=4 163 B9R1.15 Cc1ccccc1CN KNN [1,1,0,0,0,0|1,0,0]=3 164 B9R1.15 c1ccc(c(c1)C#N)O 0R0 [1,1,0,0,0,0|1,0,1]=4 165 B9R1.15 c1ccc(c(c1)C=O)O NK [1,1,0,0,0,0|0,0,0]=2 166 B9R1.15 c1ccc(c(c1)CN)Cl 02R [1,1,0,0,0,0|1,0,0]=3 167 B9R1.15 c1ccc(c(c1)CO)Br 4HR [1,1,0,0,0,0|0,0,1]=3 168 B9R1.15 c1ccc(c(c1)CO)N SOA [1,1,0,0,0,0|0,0,1]=3 169 B9R1.15 c1ccc(c(c1)CO)O SA9 [1,1,0,0,0,0|0,0,1]=3 170 B9R1.15 c1ccc(c(c1)CS)I IBZ [1,1,0,0,0,0|0,1,0]=3 171 B9R1.15 c1cncc(c1Cl)CN NNU [1,1,0,0,0,0|2,0,0]=4 172 B9R1.12 c1cc(oc1)C\N=C/S 31E [0,1,0,0,1,0|1,1,0]=4 173 B9R1.13 c1cc(sc1)CC(=O)O SPA [0,1,0,0,1,0|1,0,0]=3 174 B11R1.1 c1cc(ccc1CNC=O)I BAC [0,2,0,0,0,0|0,0,0]=2 175 B11R1.20 CC(=O)Nc1ccc(cc1)O NNS [0,2,0,0,0,0|1,0,0]=3 176 B11R1.20 CC(=O)Nc1ccc(cc1)O TYL [0,2,0,0,0,0|1,0,0]=3 177 B11R1.20 C[C@H](Cc1ccc(cc1)O)N AEG [0,2,0,0,0,0|1,0,1]=4 178 B11R1.20 c1cc(ccc1CC(=O)O)O 4HP [0,2,0,0,0,0|0,0,0]=2 179 B11R1.22 c1cc(ccc1[C@@H](C#N)O)O DHR [0,2,0,0,0,0|1,0,1]=4 180 B11R1.22 c1cc(ccc1[C@@H](CN)O)F 489 [0,2,0,0,0,0|1,0,1]=4 181 B11R1.22 c1cc(ccc1[C@@H](CN)O)O OTS [0,2,0,0,0,0|1,0,1]=4 182 B11R1.22 c1cc(ccc1[C@H](CN)O)O OTR [0,2,0,0,0,0|1,0,1]=4 183 B11R1.83 COc1ccc(cc1)CCN ZHH [0,2,0,0,0,0|1,0,1]=4 184 B11R1.192 c1cc(c(cc1CCN)Cl)Cl 42J [0,2,0,0,0,0|1,0,1]=4 185 B11R1.192 c1cc(c(cc1CCN)O)O LDP [0,2,0,0,0,0|1,0,1]=4 186 B11R1.13 Cc1cccc(c1O)CC=C LYL [0,2,0,0,0,0|1,0,0]=3 187 B11R1.86 Cc1ccccc1NC(=S)N 5Q5 [0,2,0,0,0,0|1,1,0]=4 188 B11R1.86 c1ccc(c(c1)CC(=O)O)O OHP [0,2,0,0,0,0|0,0,0]=2 189 B11R1.24 Cc1cccc(c1)CN=[N+]=[N-] 263 [0,2,0,0,0,0|2,0,0]=4 190 B11R1.24 Cc1cccc(c1)CN=[N+]=[N-] 267 [0,2,0,0,0,0|2,0,0]=4 191 B11R1.24 c1cc(cc(c1)N)COC=O MAZ [0,2,0,0,0,0|0,0,0]=2 192 B11R1.157 CC(=O)Nc1cccc(c1)N N3M [0,2,0,0,0,0|1,0,0]=3 193 B11R1.157 c1cc(cc(c1)O)CC(=O)O 3HP [0,2,0,0,0,0|0,0,0]=2 194 B11R1.7 C=CS(=O)(=O)c1ccccc1 PVS [0,2,0,0,0,0|2,0,0]=4 195 B11R1.16 c1ccc(cc1)C(=O)CCO P18 [0,2,0,0,0,0|0,0,2]=4 196 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O 269 [0,2,0,0,0,0|1,0,1]=4 197 B11R1.36 C[C@H]([C@@H](c1ccccc1)O)N NPU [0,2,0,0,0,0|1,0,1]=4 198 B11R1.36 C[C@H](c1ccccc1)C(=O)O GRO [0,2,0,0,0,0|0,0,0]=2 199 B11R1.36 c1ccc(cc1)C(=O)C(=O)O 173 [0,2,0,0,0,0|0,0,1]=3 200 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N 004 [0,2,0,0,0,0|0,0,0]=2 201 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O SMN [0,2,0,0,0,0|0,0,0]=2 202 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PG9 [0,2,0,0,0,0|0,0,0]=2 203 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PGY [0,2,0,0,0,0|0,0,0]=2 204 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O RMN [0,2,0,0,0,0|0,0,0]=2 205 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)S RTD [0,2,0,0,0,0|0,0,0]=2 206 B11R1.28 CCCCCc1ccccc1 3H2 [0,2,0,0,0,0|1,0,1]=4 207 B11R1.28 c1ccc(cc1)CCCCN PBN [0,2,0,0,0,0|1,0,1]=4 208 B11R1.28 c1ccc(cc1)CCNC=O EOA [0,2,0,0,0,0|0,0,0]=2 209 B11R1.28 c1ccc(cc1)CCNC=S LE2 [0,2,0,0,0,0|0,1,0]=3 210 B11R1.40 CC[C@H](Cc1ccccc1)N PO0 [0,2,0,0,0,0|1,0,1]=4 211 B11R1.40 C[C@@H](Cc1ccccc1)NC B40 [0,2,0,0,0,0|1,0,1]=4 212 B11R1.40 c1ccc(cc1)C[C@@H](C=O)N PHA [0,2,0,0,0,0|0,0,0]=2 213 B11R1.40 c1ccc(cc1)C[C@@H](CO)N PHL [0,2,0,0,0,0|0,0,2]=4 214 B11R1.40 c1ccc(cc1)C[C@@H](CO)O PPP [0,2,0,0,0,0|0,0,2]=4 215 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH-] PHE_LL [0,2,0,0,0,0|0,0,1]=3 216 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH3+] PHE_LSN3 [0,2,0,0,0,0|0,0,1]=3 217 B11R1.40 c1ccc(cc1)C[C@H](CO)N PDH [0,2,0,0,0,0|0,0,2]=4 218 B11R1.40 c1ccc(cc1)NC(=O)ON PHJ [0,2,0,0,0,0|1,0,0]=3 219 B11R1.91 B(CCc1ccccc1)(O)O PBA [0,2,0,0,0,0|0,0,2]=4 220 B11R1.91 CC(=O)OCc1ccccc1 J0Z [0,2,0,0,0,0|0,0,0]=2 221 B11R1.91 C[C@H](CCc1ccccc1)N 4DD [0,2,0,0,0,0|1,0,1]=4 222 B11R1.91 c1ccc(cc1)/C=C/C(=O)O TCA [0,2,0,0,0,0|0,0,1]=3 223 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [0,2,0,0,0,0|0,0,0]=2 224 B11R1.91 c1ccc(cc1)CNC(=O)O PMQ [0,2,0,0,0,0|0,0,0]=2 225 B11R1.91 c1ccc(cc1)COC(=O)Cl PHQ [0,2,0,0,0,0|0,0,0]=2 226 B11R1.91 c1ccc(cc1)COC(=O)O BGG [0,2,0,0,0,0|0,0,0]=2 227 B11R1.91 c1ccc(cc1)OCC(=O)N PO6 [0,2,0,0,0,0|0,0,0]=2 228 B11R1.91 c1ccc(cc1)OCC(=O)O 06Y [0,2,0,0,0,0|0,0,0]=2 229 B11R1.91 c1ccc(cc1)\C=C\C(=O)N DH6 [0,2,0,0,0,0|0,0,1]=3 230 B11R1.91 c1ccc(cc1)\C=C\[N+](=O)[O-] NS8 [0,2,0,0,0,0|0,0,1]=3 231 B11R1.91 c1cnccc1/C=C/C(=O)O XIZ [0,2,0,0,0,0|1,0,1]=4 232 B11R1.509 c1ccc(cc1)CP(=O)(O)O B85 [0,2,0,0,0,0|1,0,0]=3 233 B11R1.509 c1ccc(cc1)CS(=O)(=O)O IOX [0,2,0,0,0,0|1,0,0]=3 234 B11R1.509 c1ccc(cc1)CS(=O)(=O)O PMS [0,2,0,0,0,0|1,0,0]=3 235 B11R1.509 c1ccc(cc1)OP(=O)(O)O HPS [0,2,0,0,0,0|2,0,0]=4 236 B11R1.509 c1ccnc(c1)CP(=O)(O)O SYC [0,2,0,0,0,0|2,0,0]=4 237 B9R1.5 C1=CC=C(C(=O)C=C1)O 0TR [0,0,1,1,0,0|1,0,1]=4 238 B9R1.5 N=C\1/C=CC=COC1=O 2X7 [0,0,1,1,0,0|2,0,0]=4 239 B11R2.36 Cc1ccc2c(c1)[nH]cn2 5MB [0,1,0,1,0,0|2,0,0]=4 240 B11R2.36 Cc1ccc2c(c1)cc[nH]2 5MI [0,1,0,1,0,0|1,0,1]=4 241 B11R2.36 c1cc(cc2c1cc[nH]2)Br FK1 [0,1,0,1,0,0|1,0,1]=4 242 B11R2.36 c1cc(cc2c1cc[nH]2)O F60 [0,1,0,1,0,0|1,0,1]=4 243 B11R2.36 c1cc2c(cc1Cl)nc[nH]2 ES9 [0,1,0,1,0,0|2,0,0]=4 244 B11R2.36 c1cc2c(cc[nH]2)cc1Cl 11S [0,1,0,1,0,0|1,0,1]=4 245 B11R2.36 c1cc2c(cc[nH]2)cc1F 14O [0,1,0,1,0,0|1,0,1]=4 246 B11R2.36 c1cc2c(cc[nH]2)cc1O 5H1 [0,1,0,1,0,0|1,0,1]=4 247 B11R2.10 Cc1cc2ccccc2[nH]1 2MI [0,1,0,1,0,0|1,0,1]=4 248 B11R2.10 c1ccc2c(c1)CC(C2)N XM0 [0,1,0,1,0,0|1,0,1]=4 249 B11R2.10 c1ccc2c(c1)[nH]c(n2)N AX7 [0,1,0,1,0,0|2,0,0]=4 250 B11R2.10 c1ccc2c(c1)nc(s2)N ABV [0,1,0,1,0,0|1,1,0]=4 251 B11R2.20 c1ccc2c(c1)CCNC2 2CK [0,1,0,1,0,0|1,0,1]=4 252 B11R2.20 c1ccc2c(c1)cncn2 QUZ [0,1,0,1,0,0|1,0,1]=4 253 B11R2.20 c1ccc2ccccc2c1 NPY [0,1,0,1,0,0|1,0,1]=4 254 B11R2.20 c1ccc2cnccc2c1 ISQ [0,1,0,1,0,0|1,0,1]=4 255 B11R2.106 c1cc(c2c(c1)[nH]cn2)N 7WA [0,1,0,1,0,0|2,0,0]=4 256 B11R2.1 B1(c2ccccc2CO1)O 6M9 [0,1,0,1,0,0|1,0,1]=4 257 B11R2.1 Cc1c2ccccc2n[nH]1 0RW [0,1,0,1,0,0|2,0,0]=4 258 B11R2.1 c1ccc2c(c1)CCC2=O 1ON [0,1,0,1,0,0|0,0,0]=2 259 B11R2.1 c1ccc2c(c1)c(n[nH]2)N JNZ [0,1,0,1,0,0|2,0,0]=4 260 B11R2.1 c1ccc2c(c1)c(no2)N HLR [0,1,0,1,0,0|2,0,0]=4 261 B11R2.1 c1ccc2c(c1)c[nH]c2N F05 [0,1,0,1,0,0|1,0,1]=4 262 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N GJZ [0,1,0,1,0,0|1,0,1]=4 263 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2[NH3+] TPA [0,1,0,1,0,0|1,0,1]=4 264 B7R1.1 c1cc(oc1)C=O FU2 [1,0,0,0,1,0|1,0,0]=3 265 B7R1.1 c1csc(n1)C=O KTH [1,0,0,0,1,0|2,0,0]=4 266 B7R1.1 c1cscc1CN BVC [1,0,0,0,1,0|2,0,0]=4