0 B9R1.6 B(c1ccccc1)(O)O PBC [0,0,0,0,0,0|1,0,1]=2 1 B9R1.6 CC(=O)c1ccccc1 AC0 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.6 C[C@@H](c1ccccc1)N 98B [0,0,0,0,0,0|2,0,1]=3 3 B9R1.6 C[C@@H](c1ccccc1)O SS1 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.6 C[C@H](c1ccccc1)N QSC [0,0,0,0,0,0|2,0,1]=3 5 B9R1.6 C[C@H](c1ccccc1)O SS2 [0,0,0,0,0,0|1,0,1]=2 6 B9R1.6 N=C(/c1ccccc1)\N BEN [0,0,0,0,0,0|2,0,0]=2 7 B9R1.6 c1cc(cnc1)C(=O)N NCA [0,0,0,0,0,0|2,0,0]=2 8 B9R1.6 c1cc(cnc1)C(=O)O NIO [0,0,0,0,0,0|1,0,0]=1 9 B9R1.6 c1ccc(cc1)C(=N)N BDN [0,0,0,0,0,0|2,0,0]=2 10 B9R1.6 c1ccc(cc1)C(=O)N UNU [0,0,0,0,0,0|1,0,0]=1 11 B9R1.6 c1ccc(cc1)C(=O)O BEZ [0,0,0,0,0,0|0,0,0]=0 12 B9R1.6 c1ccc(cc1)C(=O)O BOX [0,0,0,0,0,0|0,0,0]=0 13 B9R1.6 c1ccc(cc1)C(=[NH2+])N BAM [0,0,0,0,0,0|2,0,0]=2 14 B9R1.6 c1ccc(cc1)[N+](=O)[O-] NBZ [0,0,0,0,0,0|1,0,1]=2 15 B9R1.6 c1ccnc(c1)C(=O)N WM1 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.6 c1ccnc(c1)C(=O)O 6PC [0,0,0,0,0,0|1,0,0]=1 17 B9R1.6 c1cnc(cn1)C(=O)N PZA [0,0,0,0,0,0|3,0,0]=3 18 B9R1.6 c1cnc(cn1)C(=O)O VGL [0,0,0,0,0,0|2,0,0]=2 19 B9R1.6 c1cnccc1C(=N)N NTN [0,0,0,0,0,0|3,0,0]=3 20 B8R1.2 C=Cc1ccccc1 SYN [1,0,0,0,0,0|1,0,0]=2 21 B8R1.2 CCc1ccccc1 N2B [1,0,0,0,0,0|1,0,1]=3 22 B8R1.2 CCc1ccccc1 PYJ [1,0,0,0,0,0|1,0,1]=3 23 B8R1.2 CNc1ccccc1 1MR [1,0,0,0,0,0|2,0,0]=3 24 B8R1.2 COc1cccnc1 282 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.2 CSc1ccccc1 16R [1,0,0,0,0,0|2,0,0]=3 26 B8R1.2 c1cc(cnc1)CN 0YC [1,0,0,0,0,0|2,0,1]=4 27 B8R1.2 c1cc(cnc1)CO PYF [1,0,0,0,0,0|1,0,1]=3 28 B8R1.2 c1cc(cnc1)CS PY2 [1,0,0,0,0,0|1,1,1]=4 29 B8R1.2 c1ccc(cc1)C=O HBX [1,0,0,0,0,0|0,0,0]=1 30 B8R1.2 c1ccc(cc1)CCl 9CL [1,0,0,0,0,0|1,0,1]=3 31 B8R1.2 c1ccc(cc1)CN ABN [1,0,0,0,0,0|1,0,1]=3 32 B8R1.2 c1ccc(cc1)CO 010 [1,0,0,0,0,0|0,0,1]=2 33 B8R1.2 c1ccc(cc1)N=O NBE [1,0,0,0,0,0|1,0,0]=2 34 B8R1.2 c1ccc(cc1)NN PHZ [1,0,0,0,0,0|2,0,0]=3 35 B8R1.2 c1ccc(cc1)[As]=O PA0 [1,0,0,0,0,0|1,0,0]=2 36 B8R1.2 c1ccnc(c1)CN APY [1,0,0,0,0,0|2,0,1]=4 37 B8R1.2 c1cnccc1CN NNW [1,0,0,0,0,0|2,0,1]=4 38 B8R1.2 c1cnccc1CO PY7 [1,0,0,0,0,0|1,0,1]=3 39 B10R1.13 CC(=O)c1ccc(cc1)Br PBP [0,1,0,0,0,0|1,0,0]=2 40 B10R1.13 CC(=O)c1ccc(cc1)O AC6 [0,1,0,0,0,0|1,0,0]=2 41 B10R1.13 CC(C)c1ccc(cc1)N ISO [0,1,0,0,0,0|2,0,1]=4 42 B10R1.13 Cc1ccc(cc1)C(=O)O 4MA [0,1,0,0,0,0|0,0,0]=1 43 B10R1.13 Cc1ccc(cc1)C(C)C MML [0,1,0,0,0,0|2,0,1]=4 44 B10R1.13 Cc1ccc(cc1)[S@@](=O)O TOS [0,1,0,0,0,0|1,0,0]=2 45 B10R1.13 c1cc(ccc1C(=O)N)O HBD [0,1,0,0,0,0|1,0,0]=2 46 B10R1.13 c1cc(ccc1C(=O)O)Br Z82 [0,1,0,0,0,0|0,0,0]=1 47 B10R1.13 c1cc(ccc1C(=O)O)Cl 174 [0,1,0,0,0,0|0,0,0]=1 48 B10R1.13 c1cc(ccc1C(=O)O)F 1Y6 [0,1,0,0,0,0|0,0,0]=1 49 B10R1.13 c1cc(ccc1C(=O)O)N PAB [0,1,0,0,0,0|0,0,0]=1 50 B10R1.13 c1cc(ccc1C(=O)O)O PHB [0,1,0,0,0,0|0,0,0]=1 51 B10R1.13 c1cc(ccc1C(=O)O)[Hg] MBO [0,1,0,0,0,0|0,0,0]=1 52 B10R1.13 c1cc(ccc1C(=[NH2+])N)N PBZ [0,1,0,0,0,0|2,0,0]=3 53 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] NIT [0,1,0,0,0,0|1,0,1]=3 54 B10R1.13 c1cc(ccc1[N+](=O)[O-])O NPO [0,1,0,0,0,0|1,0,1]=3 55 B10R1.13 c1cc(ncc1C(=O)N)N 4FG [0,1,0,0,0,0|2,0,0]=3 56 B10R1.15 C#C[C@H](c1ccccc1)O 1DJ [0,1,0,0,0,0|1,0,1]=3 57 B10R1.15 CCC(=O)c1ccccc1 I1E [0,1,0,0,0,0|1,0,0]=2 58 B10R1.15 CC[C@@H](C)c1ccccc1 3GY [0,1,0,0,0,0|2,0,1]=4 59 B10R1.15 C[C@H](C=O)c1ccccc1 1LP [0,1,0,0,0,0|1,0,1]=3 60 B10R1.15 N=N\C(=O)c1ccncc1 ISZ [0,1,0,0,0,0|2,0,0]=3 61 B10R1.15 c1ccc(cc1)C(=O)CO HXT [0,1,0,0,0,0|0,0,0]=1 62 B10R1.15 c1ccc(cc1)C(=O)NN WM4 [0,1,0,0,0,0|1,0,0]=2 63 B10R1.15 c1ccc(cc1)C(=O)NO BHO [0,1,0,0,0,0|0,0,0]=1 64 B10R1.15 c1ccc(cc1)N(N=O)O CFI [0,1,0,0,0,0|1,0,0]=2 65 B10R1.15 c1ccc(cc1)[C@@H](C#N)O MNN [0,1,0,0,0,0|1,0,1]=3 66 B10R1.15 c1ccc(cc1)[C@H](C#N)O MXN [0,1,0,0,0,0|1,0,1]=3 67 B10R1.15 c1ccc(cc1)[C@H](CO)O FEH [0,1,0,0,0,0|0,0,2]=3 68 B10R1.15 c1cnccc1C(=O)NN NIZ [0,1,0,0,0,0|2,0,0]=3 69 B10R1.28 CS(=O)(=O)c1ccccc1 SML [0,1,0,0,0,0|1,0,1]=3 70 B10R1.28 c1ccc(cc1)P(=O)(O)O SV7 [0,1,0,0,0,0|1,0,0]=2 71 B10R1.28 c1ccc(cc1)S(=O)(=O)N FB2 [0,1,0,0,0,0|1,0,1]=3 72 B10R1.28 c1ccc(cc1)S(=O)(=O)O BNS [0,1,0,0,0,0|1,0,0]=2 73 B10R1.28 c1cnccc1S(=O)(=O)O SPY [0,1,0,0,0,0|2,0,0]=3 74 B10R1.61 C1=CNC(=O)C(=C1)C(=O)O ES6 [0,1,0,0,0,0|1,0,0]=2 75 B10R1.61 CC(=O)c1ccccc1N VNJ [0,1,0,0,0,0|1,0,0]=2 76 B10R1.61 CC(C)c1ccccc1O IP0 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.61 Cc1ccccc1C(=O)O 3SK [0,1,0,0,0,0|0,0,0]=1 78 B10R1.61 c1c(c(ncn1)C(=O)O)Cl 6SM [0,1,0,0,0,0|2,0,0]=3 79 B10R1.61 c1cc(c(nc1)C(=O)O)O MHW [0,1,0,0,0,0|1,0,0]=2 80 B10R1.61 c1cc(c(nc1)C(=O)O)S 1WD [0,1,0,0,0,0|1,0,0]=2 81 B10R1.61 c1ccc(c(c1)C(=O)N)N 2AE [0,1,0,0,0,0|1,0,0]=2 82 B10R1.61 c1ccc(c(c1)C(=O)N)O OHB [0,1,0,0,0,0|1,0,0]=2 83 B10R1.61 c1ccc(c(c1)C(=O)O)F 3U4 [0,1,0,0,0,0|0,0,0]=1 84 B10R1.61 c1ccc(c(c1)C(=O)O)N 6AB [0,1,0,0,0,0|0,0,0]=1 85 B10R1.61 c1ccc(c(c1)C(=O)O)N BE2 [0,1,0,0,0,0|0,0,0]=1 86 B10R1.61 c1ccc(c(c1)C(=O)O)O SAL [0,1,0,0,0,0|0,0,0]=1 87 B10R1.61 c1ccc(c(c1)C(=O)O)S JKE [0,1,0,0,0,0|0,0,0]=1 88 B10R1.61 c1ccc(c(c1)[N+](=O)O)O CG3 [0,1,0,0,0,0|1,0,0]=2 89 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O OPO [0,1,0,0,0,0|1,0,1]=3 90 B10R1.61 c1cncc(c1C(=O)O)N 4SV [0,1,0,0,0,0|1,0,0]=2 91 B10R1.113 B(c1cccc(c1)N)(O)O APB [0,1,0,0,0,0|1,0,1]=3 92 B10R1.113 CC(=O)c1cccc(c1)N 3AO [0,1,0,0,0,0|1,0,0]=2 93 B10R1.113 CC(=O)c1cccc(c1)O 53C [0,1,0,0,0,0|1,0,0]=2 94 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] 3NT [0,1,0,0,0,0|1,0,1]=3 95 B10R1.113 c1c(cncc1Br)C(=O)N BRT [0,1,0,0,0,0|2,0,0]=3 96 B10R1.113 c1c(cncc1O)C(=O)O 5HN [0,1,0,0,0,0|1,0,0]=2 97 B10R1.113 c1cc(cc(c1)Cl)C(=O)N WCE [0,1,0,0,0,0|1,0,0]=2 98 B10R1.113 c1cc(cc(c1)Cl)C(=O)O 3BZ [0,1,0,0,0,0|0,0,0]=1 99 B10R1.113 c1cc(cc(c1)N)C(=O)N 3AB [0,1,0,0,0,0|1,0,0]=2 100 B10R1.113 c1cc(cc(c1)N)C(=O)O GAB [0,1,0,0,0,0|0,0,0]=1 101 B10R1.113 c1cc(cc(c1)O)C(=O)O 3HB [0,1,0,0,0,0|0,0,0]=1 102 B10R1.113 c1cc(nc(c1)O)C(=O)O 53B [0,1,0,0,0,0|1,0,0]=2 103 B10R2.6 c1ccc(cc1)[C@@H]2CO2 RSO [0,0,0,1,0,0|1,0,1]=3 104 B8R1.7 C1C[C@H](C=C1)C(=O)O C54 [0,0,0,0,1,0|0,0,3]=4 105 B8R1.7 N=C(/c1ccsc1)\N TP5 [0,0,0,0,1,0|3,0,0]=4 106 B8R1.7 c1c(ncs1)C(=O)O TZO [0,0,0,0,1,0|2,0,0]=3 107 B8R1.7 c1cc([nH]c1)C(=O)[O-] PYC [0,0,0,0,1,0|1,0,1]=3 108 B8R1.7 c1cc(oc1)C(=O)O FOA [0,0,0,0,1,0|1,0,0]=2 109 B8R1.7 c1cc(sc1)C(=O)O C21 [0,0,0,0,1,0|1,0,0]=2 110 B8R1.7 c1cc(sc1)[N+](=O)[O-] 265 [0,0,0,0,1,0|2,0,1]=4 111 B10R1.18 CC(=O)Oc1ccccc1 QY9 [0,0,0,0,0,1|1,0,0]=2 112 B10R1.18 CC(C)Cc1ccccc1 I4B [0,0,0,0,0,1|2,0,1]=4 113 B10R1.18 C[C@@H](Cc1ccccc1)N 1WE [0,0,0,0,0,1|2,0,1]=4 114 B10R1.18 C[C@H](Cc1ccccc1)N FRD [0,0,0,0,0,1|2,0,1]=4 115 B10R1.18 N=C(\N)/Nc1ccccc1 PL0 [0,0,0,0,0,1|2,0,0]=3 116 B10R1.18 c1ccc(cc1)CC(=O)O PAC [0,0,0,0,0,1|0,0,0]=1 117 B10R1.18 c1ccc(cc1)NC(=O)N PHU [0,0,0,0,0,1|1,0,0]=2 118 B10R1.18 c1ccc(cc1)NC(=S)N URS [0,0,0,0,0,1|1,1,0]=3 119 B10R1.18 c1cnccc1NC(=S)N YS6 [0,0,0,0,0,1|2,1,0]=4 120 B7R0.5 C/C=C\C(=O)C(=O)O OXP [1,0,1,0,0,0|1,0,1]=4 121 B7R1.3 Cc1ccccc1 MBN [2,0,0,0,0,0|0,0,1]=3 122 B7R1.3 Cc1cccnc1 3MP [2,0,0,0,0,0|1,0,1]=4 123 B7R1.3 c1c[nH+]ccc1N 4AP [2,0,0,0,0,0|2,0,0]=4 124 B7R1.3 c1cc(c[nH+]c1)N 3AP [2,0,0,0,0,0|2,0,0]=4 125 B7R1.3 c1cc(cnc1)O 71A [2,0,0,0,0,0|1,0,0]=3 126 B7R1.3 c1cc[n+](cc1)[O-] 9PO [2,0,0,0,0,0|1,0,1]=4 127 B7R1.3 c1cc[nH+]c(c1)N 2AP [2,0,0,0,0,0|2,0,0]=4 128 B7R1.3 c1ccc(cc1)Cl 8CL [2,0,0,0,0,0|1,0,0]=3 129 B7R1.3 c1ccc(cc1)I PIH [2,0,0,0,0,0|1,0,0]=3 130 B7R1.3 c1ccc(cc1)N ANL [2,0,0,0,0,0|1,0,0]=3 131 B7R1.3 c1ccc(cc1)O IPH [2,0,0,0,0,0|0,0,0]=2 132 B7R1.3 c1ccc(cc1)S BT6 [2,0,0,0,0,0|0,1,0]=3 133 B7R1.3 c1ccc(cc1)[Hg] PHG [2,0,0,0,0,0|1,0,0]=3 134 B7R1.3 c1ccnc(c1)S PYS [2,0,0,0,0,0|1,1,0]=4 135 B9R0.2 C\C=C\C=C\C=C\C(=O)O OTT [0,1,1,0,0,0|0,0,0]=2 136 B9R0.47 C(=C\C(=O)C(=O)O)/C=C/O 6UN [0,1,1,0,0,0|1,0,0]=3 137 B9R0.47 C(=C\C=O)/C=C(/C(=O)O)\O 2VS [0,1,1,0,0,0|1,0,0]=3 138 B9R0.47 C(=C\C=O)/C=C(\C(=O)O)/N 6OD [0,1,1,0,0,0|1,0,0]=3 139 B9R0.47 C(=C\C=O)/C=C(\C(=O)O)/O 6OH [0,1,1,0,0,0|1,0,0]=3 140 B9R0.47 C(\C=C\C=C(\C(=O)O)/O)O 6OA [0,1,1,0,0,0|1,0,1]=4 141 B9R0.47 N=C(\C\C=C/C=O)/C(=O)O 2XP [0,1,1,0,0,0|1,0,1]=4 142 B9R0.55 C(=C\C(=O)O)\C=C/C(=O)O CCU [0,1,1,0,0,0|1,0,0]=3 143 B9R1.1 C=Cc1ccc(cc1)O 4VP [1,1,0,0,0,0|1,0,0]=3 144 B9R1.1 CCc1ccc(cc1)O ETY [1,1,0,0,0,0|1,0,1]=4 145 B9R1.1 COc1ccc(cc1)Br BOP [1,1,0,0,0,0|2,0,0]=4 146 B9R1.1 COc1ccc(cc1)O 4KS [1,1,0,0,0,0|2,0,0]=4 147 B9R1.1 CSc1ccc(cc1)N 4JM [1,1,0,0,0,0|2,0,0]=4 148 B9R1.1 Cc1ccc(cc1)CN 02N [1,1,0,0,0,0|1,0,1]=4 149 B9R1.1 c1cc(ccc1C#N)O H8N [1,1,0,0,0,0|1,0,1]=4 150 B9R1.1 c1cc(ccc1C=O)O HBA [1,1,0,0,0,0|0,0,0]=2 151 B9R1.1 c1cc(ccc1CN)Br PZH [1,1,0,0,0,0|1,0,1]=4 152 B9R1.1 c1cc(ccc1CN)Cl C2B [1,1,0,0,0,0|1,0,1]=4 153 B9R1.1 c1cc(ccc1CN)N 4ZY [1,1,0,0,0,0|1,0,1]=4 154 B9R1.1 c1cc(ccc1CO)Br BRB [1,1,0,0,0,0|0,0,1]=3 155 B9R1.1 c1cc(ccc1CO)Cl 4JL [1,1,0,0,0,0|0,0,1]=3 156 B9R1.1 c1cc(ccc1C[NH3+])F FBA [1,1,0,0,0,0|1,0,1]=4 157 B9R1.2 Cc1cccc(c1)C#N 2HT [1,1,0,0,0,0|1,0,1]=4 158 B9R1.2 Cc1cccc(c1)CN ZF0 [1,1,0,0,0,0|1,0,1]=4 159 B9R1.2 c1cc(cc(c1)Br)CN 4JH [1,1,0,0,0,0|1,0,1]=4 160 B9R1.2 c1cc(cc(c1)Cl)CN C2A [1,1,0,0,0,0|1,0,1]=4 161 B9R1.2 c1cc(cc(c1)F)CN ZDV [1,1,0,0,0,0|1,0,1]=4 162 B9R1.2 c1cc(cc(c1)I)CO IOB [1,1,0,0,0,0|0,0,1]=3 163 B9R1.2 c1cc(cc(c1)N)C#N 71G [1,1,0,0,0,0|1,0,1]=4 164 B9R1.2 c1cc(cc(c1)N)CN DBP [1,1,0,0,0,0|1,0,1]=4 165 B9R1.2 c1cc(cc(c1)O)CO 3HY [1,1,0,0,0,0|0,0,1]=3 166 B9R1.2 c1cc(nc(c1)Br)CO 4HU [1,1,0,0,0,0|1,0,1]=4 167 B9R1.2 c1cnc(cc1Cl)CO HM3 [1,1,0,0,0,0|1,0,1]=4 168 B9R1.8 CCCc1ccccc1 3H0 [1,1,0,0,0,0|1,0,1]=4 169 B9R1.8 CCOc1ccccc1 16Q [1,1,0,0,0,0|1,0,1]=4 170 B9R1.8 CCSc1ccccc1 16M [1,1,0,0,0,0|1,0,1]=4 171 B9R1.8 CNCc1ccccc1 271 [1,1,0,0,0,0|1,0,1]=4 172 B9R1.8 CSCc1ccccc1 PTF [1,1,0,0,0,0|0,1,1]=4 173 B9R1.8 c1ccc(cc1)CC=O HY1 [1,1,0,0,0,0|0,0,0]=2 174 B9R1.8 c1ccc(cc1)CCCl CEE [1,1,0,0,0,0|1,0,1]=4 175 B9R1.8 c1ccc(cc1)CCO PEL [1,1,0,0,0,0|0,0,1]=3 176 B9R1.8 c1ccc(cc1)CC[NH3+] PEA [1,1,0,0,0,0|1,0,1]=4 177 B9R1.8 c1ccc(cc1)CNN BZZ [1,1,0,0,0,0|1,0,1]=4 178 B9R1.8 c1ccc(cc1)CON OBZ [1,1,0,0,0,0|0,0,1]=3 179 B9R1.8 c1ccc(cc1)N=C=S FTE [1,1,0,0,0,0|0,1,1]=4 180 B9R1.8 c1ccc(cc1)NC=O FAN [1,1,0,0,0,0|0,0,0]=2 181 B9R1.8 c1ccc(cc1)NC=S 0FI [1,1,0,0,0,0|0,1,0]=3 182 B9R1.15 CCc1ccccc1O JZ1 [1,1,0,0,0,0|1,0,1]=4 183 B9R1.15 COc1ccccc1O JZ3 [1,1,0,0,0,0|2,0,0]=4 184 B9R1.15 C[n+]1ccccc1C=C 286 [1,1,0,0,0,0|2,0,0]=4 185 B9R1.15 Cc1ccccc1CN KNN [1,1,0,0,0,0|1,0,1]=4 186 B9R1.15 c1ccc(c(c1)C#N)O 0R0 [1,1,0,0,0,0|1,0,1]=4 187 B9R1.15 c1ccc(c(c1)C=O)O NK [1,1,0,0,0,0|0,0,0]=2 188 B9R1.15 c1ccc(c(c1)CN)Cl 02R [1,1,0,0,0,0|1,0,1]=4 189 B9R1.15 c1ccc(c(c1)CO)Br 4HR [1,1,0,0,0,0|0,0,1]=3 190 B9R1.15 c1ccc(c(c1)CO)N SOA [1,1,0,0,0,0|0,0,1]=3 191 B9R1.15 c1ccc(c(c1)CO)O SA9 [1,1,0,0,0,0|0,0,1]=3 192 B9R1.15 c1ccc(c(c1)CS)I IBZ [1,1,0,0,0,0|0,1,1]=4 193 B9R1.11 COC(=O)c1cccs1 54D [0,1,0,0,1,0|1,0,0]=3 194 B9R1.35 Cc1cc(no1)C(=O)O 02J [0,1,0,0,1,0|2,0,0]=4 195 B9R1.35 Cc1ccc([nH]1)C(=O)O 5M1 [0,1,0,0,1,0|1,0,0]=3 196 B9R1.35 Cc1ccc(o1)C(=O)O 2K1 [0,1,0,0,1,0|1,0,0]=3 197 B9R1.35 Cc1ncc(s1)C(=O)O 6V9 [0,1,0,0,1,0|2,0,0]=4 198 B9R1.35 c1c(coc1C(=O)O)N PJ7 [0,1,0,0,1,0|1,0,0]=3 199 B9R1.35 c1cc(oc1C(=O)O)Br 14J [0,1,0,0,1,0|1,0,0]=3 200 B9R1.35 c1cc(sc1C(=O)N)Cl FQI [0,1,0,0,1,0|2,0,0]=4 201 B9R1.41 Cc1ccsc1C(=O)O 60P [0,1,0,0,1,0|1,0,0]=3 202 B9R1.41 c1c(c(no1)O)C(=O)O GAG [0,1,0,0,1,0|2,0,0]=4 203 B11R1.20 CC(=O)Nc1ccc(cc1)O NNS [0,1,0,0,0,1|1,0,0]=3 204 B11R1.20 CC(=O)Nc1ccc(cc1)O TYL [0,1,0,0,0,1|1,0,0]=3 205 B11R1.20 c1cc(ccc1CC(=O)O)O 4HP [0,1,0,0,0,1|0,0,0]=2 206 B11R1.36 C[C@H](c1ccccc1)C(=O)O GRO [0,1,0,0,0,1|0,0,0]=2 207 B11R1.36 c1ccc(cc1)C(=O)C(=O)O 173 [0,1,0,0,0,1|0,0,0]=2 208 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N 004 [0,1,0,0,0,1|0,0,0]=2 209 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O SMN [0,1,0,0,0,1|0,0,0]=2 210 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PG9 [0,1,0,0,0,1|0,0,0]=2 211 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PGY [0,1,0,0,0,1|0,0,0]=2 212 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O RMN [0,1,0,0,0,1|0,0,0]=2 213 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)S RTD [0,1,0,0,0,1|0,0,0]=2 214 B11R1.40 c1ccc(cc1)C[C@@H](C=O)N PHA [0,1,0,0,0,1|1,0,1]=4 215 B11R1.40 c1ccc(cc1)C[C@@H](CO)N PHL [0,1,0,0,0,1|1,0,1]=4 216 B11R1.40 c1ccc(cc1)C[C@@H](CO)O PPP [0,1,0,0,0,1|0,0,2]=4 217 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH-] PHE_LL [0,1,0,0,0,1|1,0,1]=4 218 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH3+] PHE_LSN3 [0,1,0,0,0,1|1,0,1]=4 219 B11R1.40 c1ccc(cc1)C[C@H](CO)N PDH [0,1,0,0,0,1|1,0,1]=4 220 B11R1.40 c1ccc(cc1)NC(=O)ON PHJ [0,1,0,0,0,1|0,0,0]=2 221 B11R1.86 Cc1ccccc1NC(=S)N 5Q5 [0,1,0,0,0,1|1,1,0]=4 222 B11R1.86 c1ccc(c(c1)CC(=O)O)O OHP [0,1,0,0,0,1|0,0,0]=2 223 B11R1.157 CC(=O)Nc1cccc(c1)N N3M [0,1,0,0,0,1|1,0,0]=3 224 B11R1.157 c1cc(cc(c1)O)CC(=O)O 3HP [0,1,0,0,0,1|0,0,0]=2 225 B11R1.509 c1ccc(cc1)CP(=O)(O)O B85 [0,1,0,0,0,1|1,0,0]=3 226 B11R1.509 c1ccc(cc1)CS(=O)(=O)O IOX [0,1,0,0,0,1|1,0,0]=3 227 B11R1.509 c1ccc(cc1)CS(=O)(=O)O PMS [0,1,0,0,0,1|1,0,0]=3 228 B11R1.509 c1ccc(cc1)OP(=O)(O)O HPS [0,1,0,0,0,1|1,0,0]=3 229 B11R1.509 c1ccnc(c1)CP(=O)(O)O SYC [0,1,0,0,0,1|2,0,0]=4 230 B11R1.3 CCc1ccc(cc1)C(=O)O EGM [0,2,0,0,0,0|0,0,0]=2 231 B11R1.3 COc1ccc(cc1)C(=O)O ANN [0,2,0,0,0,0|0,0,0]=2 232 B11R1.3 COc1ccc(cc1)S(=O)=O MSB [0,2,0,0,0,0|1,0,1]=4 233 B11R1.3 CSc1ccc(cc1)[N+](=O)[O-] 259 [0,2,0,0,0,0|1,0,1]=4 234 B11R1.3 N=C(/c1ccc(cc1)C=O)\N 4FZ [0,2,0,0,0,0|2,0,0]=4 235 B11R1.3 N=C(/c1ccc(cc1)CO)\N 4BZ [0,2,0,0,0,0|2,0,0]=4 236 B11R1.3 N=C(\c1ccc(cc1)CN)/N 00S [0,2,0,0,0,0|2,0,0]=4 237 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl BE7 [0,2,0,0,0,0|0,0,0]=2 238 B11R1.3 c1cc(ccc1C(=O)O)[Hg]O HGB [0,2,0,0,0,0|0,0,0]=2 239 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] XXH [0,2,0,0,0,0|1,0,1]=4 240 B11R1.3 c1cc(ccc1CBr)C(=O)O 4AY [0,2,0,0,0,0|0,0,0]=2 241 B11R1.3 c1cc(ccc1CN)C(=O)O 4AZ [0,2,0,0,0,0|0,0,0]=2 242 B11R1.3 c1cc(ccc1CN)[N+](=O)[O-] PNZ [0,2,0,0,0,0|1,0,1]=4 243 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] BPN [0,2,0,0,0,0|1,0,1]=4 244 B11R1.3 c1cc(ccc1CS)[N+](=O)O 4NM [0,2,0,0,0,0|1,0,0]=3 245 B11R1.3 c1cc(ccc1NN)[N+](=O)[O-] PND [0,2,0,0,0,0|1,0,1]=4 246 B11R1.19 Cc1ccc(cc1)S(=O)(=O)N 4J8 [0,2,0,0,0,0|1,0,1]=4 247 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O TSU [0,2,0,0,0,0|1,0,0]=3 248 B11R1.19 c1cc(ccc1F)S(=O)(=O)N FBS [0,2,0,0,0,0|1,0,1]=4 249 B11R1.19 c1cc(ccc1N)S(=O)(=O)N SAN [0,2,0,0,0,0|1,0,1]=4 250 B11R1.19 c1cc(ccc1N)[As](=O)(O)O ASR [0,2,0,0,0,0|1,0,0]=3 251 B11R1.19 c1cc(ccc1S(=O)(=O)O)[Hg] PMB [0,2,0,0,0,0|1,0,0]=3 252 B11R1.21 Cc1c(cc(cn1)C(=O)O)O 3HM [0,2,0,0,0,0|1,0,0]=3 253 B11R1.21 Cc1cc(ccc1Br)C(=O)O 0GF [0,2,0,0,0,0|0,0,0]=2 254 B11R1.21 Cc1cc(ccc1O)C(=O)C YTP [0,2,0,0,0,0|1,0,0]=3 255 B11R1.21 Cc1ccc(cc1O)C(=C)C 0WV [0,2,0,0,0,0|2,0,0]=4 256 B11R1.21 N=C(\c1ccc(c(c1)F)C)/N JLZ [0,2,0,0,0,0|2,0,0]=4 257 B11R1.21 c1c[n+](c(cc1C(=O)O)O)[O-] INO [0,2,0,0,0,0|1,0,0]=3 258 B11R1.21 c1cc([n+](cc1C(=O)O)[O-])O NNO [0,2,0,0,0,0|1,0,0]=3 259 B11R1.21 c1cc(c(cc1C(=O)N)F)F 2HO [0,2,0,0,0,0|1,0,0]=3 260 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl 34Z [0,2,0,0,0,0|0,0,0]=2 261 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O CHB [0,2,0,0,0,0|0,0,0]=2 262 B11R1.21 c1cc(c(cc1C(=O)O)F)O FHB [0,2,0,0,0,0|0,0,0]=2 263 B11R1.21 c1cc(c(cc1C(=O)O)I)O IHB [0,2,0,0,0,0|0,0,0]=2 264 B11R1.21 c1cc(c(cc1C(=O)O)O)N 4A3 [0,2,0,0,0,0|0,0,0]=2 265 B11R1.21 c1cc(c(cc1C(=O)O)O)O DHB [0,2,0,0,0,0|0,0,0]=2 266 B11R1.21 c1cc(c(cc1N(=O)=O)Cl)O P9P [0,2,0,0,0,0|1,0,1]=4 267 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O 4NC [0,2,0,0,0,0|1,0,1]=4 268 B11R1.22 COC(=O)c1ccc(cc1)O MPB [0,2,0,0,0,0|0,0,0]=2 269 B11R1.22 c1cc(ccc1C(=O)CN)Br 47A [0,2,0,0,0,0|1,0,0]=3 270 B11R1.22 c1cc(ccc1C(=O)NN)O HDH [0,2,0,0,0,0|1,0,0]=3 271 B11R1.22 c1cc(ccc1[C@@H](C#N)O)O DHR [0,2,0,0,0,0|1,0,1]=4 272 B11R1.22 c1cc(ccc1[C@@H](CN)O)F 489 [0,2,0,0,0,0|1,0,1]=4 273 B11R1.22 c1cc(ccc1[C@@H](CN)O)O OTS [0,2,0,0,0,0|1,0,1]=4 274 B11R1.22 c1cc(ccc1[C@H](CN)O)O OTR [0,2,0,0,0,0|1,0,1]=4 275 B11R1.22 c1cc(ccc1\C(=N\O)\N)F ZYB [0,2,0,0,0,0|1,0,0]=3 276 B11R1.166 C1=C(C(=NC(=O)N1)N)C(=O)O 1RT [0,2,0,0,0,0|2,0,0]=4 277 B11R1.166 C1=C(C(=O)NC(=O)N1)C(=O)O 5CU [0,2,0,0,0,0|2,0,0]=4 278 B11R1.166 Cc1ccc(c(c1)N)C(=O)O 4M0 [0,2,0,0,0,0|0,0,0]=2 279 B11R1.166 c1cc(c(cc1F)N)C(=O)O FA0 [0,2,0,0,0,0|0,0,0]=2 280 B11R1.166 c1cc(c(cc1N)O)C(=O)O BHA [0,2,0,0,0,0|0,0,0]=2 281 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] FNN [0,2,0,0,0,0|1,0,1]=4 282 B11R1.166 c1cc(c(cc1O)O)C(=O)O DOB [0,2,0,0,0,0|0,0,0]=2 283 B11R1.7 C=CS(=O)(=O)c1ccccc1 PVS [0,2,0,0,0,0|1,0,1]=4 284 B11R1.7 c1ccc(cc1)S(=O)(=O)NN WM3 [0,2,0,0,0,0|1,0,1]=4 285 B11R1.7 c1ccc(cc1)S(=O)(=O)NO A09 [0,2,0,0,0,0|1,0,0]=3 286 B11R1.16 CCCC(=O)c1cccnc1 PBO [0,2,0,0,0,0|2,0,0]=4 287 B11R1.16 c1ccc(cc1)C(=O)CCO P18 [0,2,0,0,0,0|0,0,0]=2 288 B11R1.16 c1ccc(cc1)C(=O)NCO 1Q8 [0,2,0,0,0,0|0,0,0]=2 289 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O 269 [0,2,0,0,0,0|1,0,1]=4 290 B11R1.23 Cc1cccc(c1)C(=O)NN 45L [0,2,0,0,0,0|1,0,0]=3 291 B11R1.23 c1cc(cc(c1)O)C(=O)NO 069 [0,2,0,0,0,0|0,0,0]=2 292 B11R1.222 CNC(=O)c1ccccc1I N1M [0,2,0,0,0,0|1,0,0]=3 293 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl 5G1 [0,2,0,0,0,0|1,0,0]=3 294 B11R1.222 c1ccc(c(c1)C(=O)NO)O SHA [0,2,0,0,0,0|0,0,0]=2 295 B11R1.87 Cc1ccccc1S(=O)(=O)N IEJ [0,2,0,0,0,0|1,0,1]=4 296 B11R1.87 c1ccc(c(c1)F)S(=O)(=O)N FBV [0,2,0,0,0,0|1,0,1]=4 297 B11R1.87 c1ccc(c(c1)S(=O)(=O)N)Cl FB1 [0,2,0,0,0,0|1,0,1]=4 298 B11R1.155 c1cc(cc(c1)S(=O)(=O)N)F FBW [0,2,0,0,0,0|1,0,1]=4 299 B11R1.53 COc1ccccc1C(=O)O 71F [0,2,0,0,0,0|0,0,0]=2 300 B11R1.156 Cc1cccc(c1C(=O)O)N 6M1 [0,2,0,0,0,0|0,0,0]=2 301 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N 6F0 [0,2,0,0,0,0|0,0,0]=2 302 B11R1.156 c1cc(c(c(c1)O)C(=O)O)O GRE [0,2,0,0,0,0|0,0,0]=2 303 B11R1.156 c1cc(c(c(c1)O)[N+](=O)[O-])O 38L [0,2,0,0,0,0|1,0,1]=4 304 B11R1.159 C1=C[C@@H]([C@H](C(=C1)C(=O)O)N)O HHA [0,2,0,0,0,0|0,0,2]=4 305 B11R1.159 Cc1c(cccc1O)C(=O)O PF0 [0,2,0,0,0,0|0,0,0]=2 306 B11R1.159 Cc1cccc(c1N)C(=O)O 3M0 [0,2,0,0,0,0|0,0,0]=2 307 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O 3F0 [0,2,0,0,0,0|0,0,0]=2 308 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O 1CW [0,2,0,0,0,0|0,0,0]=2 309 B11R1.159 c1cc(c(c(c1)O)N)C(=O)O 3HA [0,2,0,0,0,0|0,0,0]=2 310 B11R1.159 c1cc(c(c(c1)O)O)C(=O)N DB1 [0,2,0,0,0,0|1,0,0]=3 311 B11R1.159 c1cc(c(c(c1)O)O)C(=O)O DBH [0,2,0,0,0,0|0,0,0]=2 312 B11R1.167 Cc1ccc(c(c1)C(=O)O)N 5M0 [0,2,0,0,0,0|0,0,0]=2 313 B11R1.167 Cc1ccc(c(c1)C(=O)O)O 54G [0,2,0,0,0,0|0,0,0]=2 314 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])O NCR [0,2,0,0,0,0|1,0,1]=4 315 B11R1.167 c1cc(c(cc1Br)C(=O)O)N SX1 [0,2,0,0,0,0|0,0,0]=2 316 B11R1.167 c1cc(c(cc1Cl)C(=O)N)N 5MK [0,2,0,0,0,0|1,0,0]=3 317 B11R1.167 c1cc(c(cc1F)C(=O)O)N 5RG [0,2,0,0,0,0|0,0,0]=2 318 B11R1.167 c1cc(c(cc1O)C(=O)O)O GTQ [0,2,0,0,0,0|0,0,0]=2 319 B11R1.167 c1cc(c(cc1[AsH2])[N+](=O)[O-])O RXO [0,2,0,0,0,0|1,0,1]=4 320 B11R1.74 C1=C(NC(=O)NC1=O)C(=O)O ORO [0,2,0,0,0,0|2,0,0]=4 321 B11R1.74 C1C(=CC(=O)NC1=O)C(=O)O D1X [0,2,0,0,0,0|1,0,1]=4 322 B11R1.74 c1c(cc(cc1O)O)C(=O)O 34D [0,2,0,0,0,0|0,0,0]=2 323 B11R1.266 COc1cccc(c1)C(=O)N 3MB [0,2,0,0,0,0|1,0,0]=3 324 B11R1.266 N=C(/c1cccc(c1)C=O)\N 3FZ [0,2,0,0,0,0|2,0,0]=4 325 B11R1.266 c1cc(cc(c1)C(=O)O)CN 3AZ [0,2,0,0,0,0|0,0,0]=2 326 B9R1.13 c1cc(sc1)CC(=O)O SPA [0,0,1,1,0,0|1,0,1]=4 327 B9R1.5 C1=CC=C(C(=O)C=C1)O 0TR [0,0,1,1,0,0|2,0,0]=4 328 B9R1.5 N=C\1/C=CC=COC1=O 2X7 [0,0,1,1,0,0|1,0,0]=3 329 B11R2.10 Cc1cc2ccccc2[nH]1 2MI [0,0,0,1,0,1|2,0,0]=4 330 B11R2.10 c1ccc2c(c1)[nH]c(n2)N AX7 [0,0,0,1,0,1|2,0,0]=4 331 B11R2.10 c1ccc2c(c1)nc(s2)N ABV [0,0,0,1,0,1|1,1,0]=4 332 B11R2.1 B1(c2ccccc2CO1)O 6M9 [0,1,0,1,0,0|1,0,1]=4 333 B11R2.1 Cc1c2ccccc2n[nH]1 0RW [0,1,0,1,0,0|2,0,0]=4 334 B11R2.1 c1ccc2c(c1)CCC2=O 1ON [0,1,0,1,0,0|1,0,0]=3 335 B11R2.1 c1ccc2c(c1)c(n[nH]2)N JNZ [0,1,0,1,0,0|2,0,0]=4 336 B11R2.1 c1ccc2c(c1)c(no2)N HLR [0,1,0,1,0,0|1,0,0]=3 337 B11R2.1 c1ccc2c(c1)c[nH]c2N F05 [0,1,0,1,0,0|2,0,0]=4 338 B7R1.1 c1cc(oc1)C=O FU2 [1,0,0,0,1,0|1,0,0]=3 339 B7R1.1 c1csc(n1)C=O KTH [1,0,0,0,1,0|2,0,0]=4 340 B11R1.91 B(CCc1ccccc1)(O)O PBA [0,0,0,0,0,2|1,0,1]=4 341 B11R1.91 CC(=O)OCc1ccccc1 J0Z [0,0,0,0,0,2|1,0,0]=3 342 B11R1.91 c1ccc(cc1)/C=C/C(=O)O TCA [0,0,0,0,0,2|0,0,0]=2 343 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [0,0,0,0,0,2|0,0,0]=2 344 B11R1.91 c1ccc(cc1)CNC(=O)O PMQ [0,0,0,0,0,2|0,0,0]=2 345 B11R1.91 c1ccc(cc1)COC(=O)Cl PHQ [0,0,0,0,0,2|1,0,0]=3 346 B11R1.91 c1ccc(cc1)COC(=O)O BGG [0,0,0,0,0,2|0,0,0]=2 347 B11R1.91 c1ccc(cc1)OCC(=O)N PO6 [0,0,0,0,0,2|1,0,0]=3 348 B11R1.91 c1ccc(cc1)OCC(=O)O 06Y [0,0,0,0,0,2|0,0,0]=2 349 B11R1.91 c1ccc(cc1)\C=C\C(=O)N DH6 [0,0,0,0,0,2|1,0,0]=3 350 B11R1.91 c1ccc(cc1)\C=C\[N+](=O)[O-] NS8 [0,0,0,0,0,2|1,0,1]=4 351 B11R1.91 c1cnccc1/C=C/C(=O)O XIZ [0,0,0,0,0,2|1,0,0]=3