0 B10R1.18 CC(=O)Oc1ccccc1 QY9 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(C)Cc1ccccc1 I4B [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 C[C@@H](Cc1ccccc1)N 1WE [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 C[C@H](Cc1ccccc1)N FRD [0,0,0,0,0,0|2,0,1]=3 4 B10R1.18 N=C(\N)/Nc1ccccc1 PL0 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.18 c1ccc(cc1)CC(=O)O PAC [0,0,0,0,0,0|0,0,0]=0 6 B10R1.18 c1ccc(cc1)NC(=O)N PHU [0,0,0,0,0,0|2,0,0]=2 7 B10R1.18 c1ccc(cc1)NC(=S)N URS [0,0,0,0,0,0|2,1,0]=3 8 B10R1.18 c1cnccc1NC(=S)N YS6 [0,0,0,0,0,0|3,1,0]=4 9 B9R1.8 CCCc1ccccc1 3H0 [1,0,0,0,0,0|1,0,1]=3 10 B9R1.8 CCOc1ccccc1 16Q [1,0,0,0,0,0|2,0,1]=4 11 B9R1.8 CCSc1ccccc1 16M [1,0,0,0,0,0|2,0,1]=4 12 B9R1.8 CNCc1ccccc1 271 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 CSCc1ccccc1 PTF [1,0,0,0,0,0|2,0,0]=3 14 B9R1.8 c1cc(cnc1)CCN 45X [1,0,0,0,0,0|2,0,1]=4 15 B9R1.8 c1ccc(cc1)CC=O HY1 [1,0,0,0,0,0|0,0,0]=1 16 B9R1.8 c1ccc(cc1)CCCl CEE [1,0,0,0,0,0|1,0,1]=3 17 B9R1.8 c1ccc(cc1)CCO PEL [1,0,0,0,0,0|0,0,1]=2 18 B9R1.8 c1ccc(cc1)CC[NH3+] PEA [1,0,0,0,0,0|1,0,1]=3 19 B9R1.8 c1ccc(cc1)CNN BZZ [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 c1ccc(cc1)CON OBZ [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 c1ccc(cc1)N=C=S FTE [1,0,0,0,0,0|1,1,1]=4 22 B9R1.8 c1ccc(cc1)NC=O FAN [1,0,0,0,0,0|1,0,0]=2 23 B9R1.8 c1ccc(cc1)NC=S 0FI [1,0,0,0,0,0|1,1,0]=3 24 B11R1.20 CC(=O)Nc1ccc(cc1)O NNS [0,1,0,0,0,0|2,0,0]=3 25 B11R1.20 CC(=O)Nc1ccc(cc1)O TYL [0,1,0,0,0,0|2,0,0]=3 26 B11R1.20 C[C@H](Cc1ccc(cc1)O)N AEG [0,1,0,0,0,0|2,0,1]=4 27 B11R1.20 c1cc(ccc1CC(=O)O)O 4HP [0,1,0,0,0,0|0,0,0]=1 28 B11R1.36 C[C@H]([C@@H](c1ccccc1)O)N NPU [0,1,0,0,0,0|2,0,1]=4 29 B11R1.36 C[C@H](c1ccccc1)C(=O)O GRO [0,1,0,0,0,0|0,0,0]=1 30 B11R1.36 c1ccc(cc1)C(=O)C(=O)O 173 [0,1,0,0,0,0|0,0,1]=2 31 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N 004 [0,1,0,0,0,0|0,0,0]=1 32 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O SMN [0,1,0,0,0,0|0,0,0]=1 33 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PG9 [0,1,0,0,0,0|0,0,0]=1 34 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PGY [0,1,0,0,0,0|0,0,0]=1 35 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O RMN [0,1,0,0,0,0|0,0,0]=1 36 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)S RTD [0,1,0,0,0,0|0,0,0]=1 37 B11R1.40 CC[C@H](Cc1ccccc1)N PO0 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.40 C[C@@H](Cc1ccccc1)NC B40 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.40 c1ccc(cc1)C[C@@H](C=O)N PHA [0,1,0,0,0,0|1,0,1]=3 40 B11R1.40 c1ccc(cc1)C[C@@H](CO)N PHL [0,1,0,0,0,0|1,0,1]=3 41 B11R1.40 c1ccc(cc1)C[C@@H](CO)O PPP [0,1,0,0,0,0|0,0,2]=3 42 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH-] PHE_LL [0,1,0,0,0,0|1,0,1]=3 43 B11R1.40 c1ccc(cc1)C[C@@H]([C-]=O)[NH3+] PHE_LSN3 [0,1,0,0,0,0|1,0,1]=3 44 B11R1.40 c1ccc(cc1)C[C@H](CO)N PDH [0,1,0,0,0,0|1,0,1]=3 45 B11R1.40 c1ccc(cc1)NC(=O)ON PHJ [0,1,0,0,0,0|1,0,0]=2 46 B11R1.86 Cc1ccccc1NC(=S)N 5Q5 [0,1,0,0,0,0|2,1,0]=4 47 B11R1.86 c1ccc(c(c1)CC(=O)O)O OHP [0,1,0,0,0,0|0,0,0]=1 48 B11R1.157 CC(=O)Nc1cccc(c1)N N3M [0,1,0,0,0,0|2,0,0]=3 49 B11R1.157 c1cc(cc(c1)O)CC(=O)O 3HP [0,1,0,0,0,0|0,0,0]=1 50 B11R1.509 c1ccc(cc1)CP(=O)(O)O B85 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.509 c1ccc(cc1)CS(=O)(=O)O IOX [0,1,0,0,0,0|1,0,0]=2 52 B11R1.509 c1ccc(cc1)CS(=O)(=O)O PMS [0,1,0,0,0,0|1,0,0]=2 53 B11R1.509 c1ccc(cc1)OP(=O)(O)O HPS [0,1,0,0,0,0|2,0,0]=3 54 B11R1.509 c1ccnc(c1)CP(=O)(O)O SYC [0,1,0,0,0,0|2,0,0]=3 55 B9R0.2 C\C=C\C=C\C=C\C(=O)O OTT [0,0,1,0,0,0|0,0,2]=3 56 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N GJZ [0,0,0,1,0,0|2,0,1]=4 57 B11R2.4 c1ccc(cc1)[C@H]2C[C@@H]2[NH3+] TPA [0,0,0,1,0,0|2,0,1]=4 58 B11R2.10 Cc1cc2ccccc2[nH]1 2MI [0,0,0,1,0,0|2,0,1]=4 59 B11R2.10 c1ccc2c(c1)CC(C2)N XM0 [0,0,0,1,0,0|2,0,1]=4 60 B11R2.10 c1ccc2c(c1)[nH]c(n2)N AX7 [0,0,0,1,0,0|3,0,0]=4 61 B11R2.10 c1ccc2c(c1)nc(s2)N ABV [0,0,0,1,0,0|2,1,0]=4 62 B9R1.6 B(c1ccccc1)(O)O PBC [0,0,0,0,1,0|1,0,1]=3 63 B9R1.6 CC(=O)c1ccccc1 AC0 [0,0,0,0,1,0|1,0,0]=2 64 B9R1.6 C[C@@H](c1ccccc1)N 98B [0,0,0,0,1,0|2,0,1]=4 65 B9R1.6 C[C@@H](c1ccccc1)O SS1 [0,0,0,0,1,0|1,0,1]=3 66 B9R1.6 C[C@H](c1ccccc1)N QSC [0,0,0,0,1,0|2,0,1]=4 67 B9R1.6 C[C@H](c1ccccc1)O SS2 [0,0,0,0,1,0|1,0,1]=3 68 B9R1.6 N=C(/c1ccccc1)\N BEN [0,0,0,0,1,0|2,0,0]=3 69 B9R1.6 c1cc(cnc1)C(=O)N NCA [0,0,0,0,1,0|2,0,0]=3 70 B9R1.6 c1cc(cnc1)C(=O)O NIO [0,0,0,0,1,0|1,0,0]=2 71 B9R1.6 c1ccc(cc1)C(=N)N BDN [0,0,0,0,1,0|2,0,0]=3 72 B9R1.6 c1ccc(cc1)C(=O)N UNU [0,0,0,0,1,0|1,0,0]=2 73 B9R1.6 c1ccc(cc1)C(=O)O BEZ [0,0,0,0,1,0|0,0,0]=1 74 B9R1.6 c1ccc(cc1)C(=O)O BOX [0,0,0,0,1,0|0,0,0]=1 75 B9R1.6 c1ccc(cc1)C(=[NH2+])N BAM [0,0,0,0,1,0|2,0,0]=3 76 B9R1.6 c1ccc(cc1)[N+](=O)[O-] NBZ [0,0,0,0,1,0|1,0,1]=3 77 B9R1.6 c1ccnc(c1)C(=O)N WM1 [0,0,0,0,1,0|2,0,0]=3 78 B9R1.6 c1ccnc(c1)C(=O)O 6PC [0,0,0,0,1,0|1,0,0]=2 79 B9R1.6 c1cnc(cn1)C(=O)N PZA [0,0,0,0,1,0|3,0,0]=4 80 B9R1.6 c1cnc(cn1)C(=O)O VGL [0,0,0,0,1,0|2,0,0]=3 81 B9R1.6 c1cnccc1C(=N)N NTN [0,0,0,0,1,0|3,0,0]=4 82 B9R1.13 C1N=CC(=N1)CC(=O)O IZC [0,0,0,0,1,0|2,0,1]=4 83 B9R1.13 c1cc(sc1)CC(=O)O SPA [0,0,0,0,1,0|1,0,0]=2 84 B11R1.91 B(CCc1ccccc1)(O)O PBA [0,0,0,0,0,1|1,0,1]=3 85 B11R1.91 CC(=O)OCc1ccccc1 J0Z [0,0,0,0,0,1|1,0,0]=2 86 B11R1.91 C[C@H](CCc1ccccc1)N 4DD [0,0,0,0,0,1|2,0,1]=4 87 B11R1.91 c1ccc(cc1)/C=C/C(=O)O TCA [0,0,0,0,0,1|0,0,1]=2 88 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [0,0,0,0,0,1|0,0,0]=1 89 B11R1.91 c1ccc(cc1)CNC(=O)O PMQ [0,0,0,0,0,1|0,0,0]=1 90 B11R1.91 c1ccc(cc1)COC(=O)Cl PHQ [0,0,0,0,0,1|1,0,0]=2 91 B11R1.91 c1ccc(cc1)COC(=O)O BGG [0,0,0,0,0,1|0,0,0]=1 92 B11R1.91 c1ccc(cc1)OCC(=O)N PO6 [0,0,0,0,0,1|1,0,0]=2 93 B11R1.91 c1ccc(cc1)OCC(=O)O 06Y [0,0,0,0,0,1|0,0,0]=1 94 B11R1.91 c1ccc(cc1)\C=C\C(=O)N DH6 [0,0,0,0,0,1|1,0,1]=3 95 B11R1.91 c1ccc(cc1)\C=C\[N+](=O)[O-] NS8 [0,0,0,0,0,1|1,0,2]=4 96 B11R1.91 c1cnccc1/C=C/C(=O)O XIZ [0,0,0,0,0,1|1,0,1]=3 97 B8R1.2 C=Cc1ccccc1 SYN [2,0,0,0,0,0|0,0,1]=3 98 B8R1.2 CCc1ccccc1 N2B [2,0,0,0,0,0|0,0,1]=3 99 B8R1.2 CCc1ccccc1 PYJ [2,0,0,0,0,0|0,0,1]=3 100 B8R1.2 CNc1ccccc1 1MR [2,0,0,0,0,0|1,0,1]=4 101 B8R1.2 CSc1ccccc1 16R [2,0,0,0,0,0|1,0,1]=4 102 B8R1.2 c1cc(cnc1)CN 0YC [2,0,0,0,0,0|2,0,0]=4 103 B8R1.2 c1cc(cnc1)CO PYF [2,0,0,0,0,0|1,0,0]=3 104 B8R1.2 c1cc(cnc1)CS PY2 [2,0,0,0,0,0|1,1,0]=4 105 B8R1.2 c1ccc(cc1)C=O HBX [2,0,0,0,0,0|0,0,0]=2 106 B8R1.2 c1ccc(cc1)CCl 9CL [2,0,0,0,0,0|1,0,0]=3 107 B8R1.2 c1ccc(cc1)CN ABN [2,0,0,0,0,0|1,0,0]=3 108 B8R1.2 c1ccc(cc1)CO 010 [2,0,0,0,0,0|0,0,0]=2 109 B8R1.2 c1ccc(cc1)N=O NBE [2,0,0,0,0,0|1,0,0]=3 110 B8R1.2 c1ccc(cc1)NN PHZ [2,0,0,0,0,0|2,0,0]=4 111 B8R1.2 c1ccc(cc1)[As]=O PA0 [2,0,0,0,0,0|1,0,0]=3 112 B8R1.2 c1ccnc(c1)CN APY [2,0,0,0,0,0|2,0,0]=4 113 B8R1.2 c1cnccc1CN NNW [2,0,0,0,0,0|2,0,0]=4 114 B8R1.2 c1cnccc1CO PY7 [2,0,0,0,0,0|1,0,0]=3 115 B10R1.1 c1cc(ccc1CC#N)O 3AQ [1,1,0,0,0,0|1,0,1]=4 116 B10R1.1 c1cc(ccc1CCN)O AEF [1,1,0,0,0,0|1,0,1]=4 117 B10R1.1 c1cc(ccc1CCO)F 4FA [1,1,0,0,0,0|0,0,1]=3 118 B10R1.1 c1cc(ccc1CCO)O YRL [1,1,0,0,0,0|0,0,1]=3 119 B10R1.4 C1=CC=[N](C(=C1)N)CCO 1LN [1,1,0,0,0,0|1,0,1]=4 120 B10R1.4 C=CCc1ccccc1O 2LP [1,1,0,0,0,0|1,0,0]=3 121 B10R1.4 CCCc1ccccc1N PRY [1,1,0,0,0,0|1,0,1]=4 122 B10R1.4 CCCc1ccccc1O JZ4 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.4 c1ccc(c(c1)CCN)F BSX [1,1,0,0,0,0|1,0,1]=4 124 B10R1.15 C#C[C@H](c1ccccc1)O 1DJ [1,1,0,0,0,0|1,0,1]=4 125 B10R1.15 CC[C@@H](C)c1ccccc1 3GY [1,1,0,0,0,0|1,0,1]=4 126 B10R1.15 C[C@H](C=O)c1ccccc1 1LP [1,1,0,0,0,0|0,0,0]=2 127 B10R1.15 c1ccc(cc1)C(=O)CO HXT [1,1,0,0,0,0|0,0,2]=4 128 B10R1.15 c1ccc(cc1)C(=O)NO BHO [1,1,0,0,0,0|1,0,1]=4 129 B10R1.15 c1ccc(cc1)N(N=O)O CFI [1,1,0,0,0,0|2,0,0]=4 130 B10R1.15 c1ccc(cc1)[C@@H](C#N)O MNN [1,1,0,0,0,0|1,0,1]=4 131 B10R1.15 c1ccc(cc1)[C@H](C#N)O MXN [1,1,0,0,0,0|1,0,1]=4 132 B10R1.15 c1ccc(cc1)[C@H](CO)O FEH [1,1,0,0,0,0|0,0,1]=3 133 B10R1.17 C=CCNc1ccccc1 NYL [1,1,0,0,0,0|1,0,0]=3 134 B10R1.17 CCCCc1ccccc1 N4B [1,1,0,0,0,0|1,0,1]=4 135 B10R1.17 c1cc(cnc1)CNC=S 35J [1,1,0,0,0,0|1,1,0]=4 136 B10R1.17 c1ccc(cc1)CCC=O 3PL [1,1,0,0,0,0|0,0,0]=2 137 B10R1.17 c1ccc(cc1)CCCCl LT1 [1,1,0,0,0,0|1,0,1]=4 138 B10R1.17 c1ccc(cc1)CCC[NH3+] PRA [1,1,0,0,0,0|1,0,1]=4 139 B10R1.17 c1ccc(cc1)CNC=O BNF [1,1,0,0,0,0|0,0,0]=2 140 B10R1.17 c1ccc(cc1)CNC=S 9BE [1,1,0,0,0,0|0,1,0]=3 141 B10R1.17 c1ccc(cc1)COC=O BZO [1,1,0,0,0,0|0,0,0]=2 142 B10R1.17 c1ccc(cc1)COC=O CBZ [1,1,0,0,0,0|0,0,0]=2 143 B10R1.17 c1ccc(cc1)NCC#N 264 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.17 c1ccc(cc1)OCCCl 258 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.17 c1ccc(cc1)OCCO 268 [1,1,0,0,0,0|0,0,1]=3 146 B10R1.13 CC(=O)c1ccc(cc1)Br PBP [0,1,0,0,1,0|1,0,0]=3 147 B10R1.13 CC(=O)c1ccc(cc1)O AC6 [0,1,0,0,1,0|1,0,0]=3 148 B10R1.13 Cc1ccc(cc1)C(=O)O 4MA [0,1,0,0,1,0|0,0,0]=2 149 B10R1.13 Cc1ccc(cc1)[S@@](=O)O TOS [0,1,0,0,1,0|1,0,0]=3 150 B10R1.13 c1cc(ccc1C(=O)N)O HBD [0,1,0,0,1,0|1,0,0]=3 151 B10R1.13 c1cc(ccc1C(=O)O)Br Z82 [0,1,0,0,1,0|0,0,0]=2 152 B10R1.13 c1cc(ccc1C(=O)O)Cl 174 [0,1,0,0,1,0|0,0,0]=2 153 B10R1.13 c1cc(ccc1C(=O)O)F 1Y6 [0,1,0,0,1,0|0,0,0]=2 154 B10R1.13 c1cc(ccc1C(=O)O)N PAB [0,1,0,0,1,0|0,0,0]=2 155 B10R1.13 c1cc(ccc1C(=O)O)O PHB [0,1,0,0,1,0|0,0,0]=2 156 B10R1.13 c1cc(ccc1C(=O)O)[Hg] MBO [0,1,0,0,1,0|0,0,0]=2 157 B10R1.13 c1cc(ccc1C(=[NH2+])N)N PBZ [0,1,0,0,1,0|2,0,0]=4 158 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] NIT [0,1,0,0,1,0|1,0,1]=4 159 B10R1.13 c1cc(ccc1[N+](=O)[O-])O NPO [0,1,0,0,1,0|1,0,1]=4 160 B10R1.13 c1cc(ncc1C(=O)N)N 4FG [0,1,0,0,1,0|2,0,0]=4 161 B10R1.28 CS(=O)(=O)c1ccccc1 SML [0,1,0,0,1,0|1,0,1]=4 162 B10R1.28 c1ccc(cc1)P(=O)(O)O SV7 [0,1,0,0,1,0|1,0,0]=3 163 B10R1.28 c1ccc(cc1)S(=O)(=O)N FB2 [0,1,0,0,1,0|1,0,1]=4 164 B10R1.28 c1ccc(cc1)S(=O)(=O)O BNS [0,1,0,0,1,0|1,0,0]=3 165 B10R1.28 c1cnccc1S(=O)(=O)O SPY [0,1,0,0,1,0|2,0,0]=4 166 B10R1.61 C1=CNC(=O)C(=C1)C(=O)O ES6 [0,1,0,0,1,0|1,0,0]=3 167 B10R1.61 CC(=O)c1ccccc1N VNJ [0,1,0,0,1,0|1,0,0]=3 168 B10R1.61 Cc1ccccc1C(=O)O 3SK [0,1,0,0,1,0|0,0,0]=2 169 B10R1.61 c1c(c(ncn1)C(=O)O)Cl 6SM [0,1,0,0,1,0|2,0,0]=4 170 B10R1.61 c1cc(c(nc1)C(=O)O)O MHW [0,1,0,0,1,0|1,0,0]=3 171 B10R1.61 c1cc(c(nc1)C(=O)O)S 1WD [0,1,0,0,1,0|1,0,0]=3 172 B10R1.61 c1ccc(c(c1)C(=O)N)N 2AE [0,1,0,0,1,0|1,0,0]=3 173 B10R1.61 c1ccc(c(c1)C(=O)N)O OHB [0,1,0,0,1,0|1,0,0]=3 174 B10R1.61 c1ccc(c(c1)C(=O)O)F 3U4 [0,1,0,0,1,0|0,0,0]=2 175 B10R1.61 c1ccc(c(c1)C(=O)O)N 6AB [0,1,0,0,1,0|0,0,0]=2 176 B10R1.61 c1ccc(c(c1)C(=O)O)N BE2 [0,1,0,0,1,0|0,0,0]=2 177 B10R1.61 c1ccc(c(c1)C(=O)O)O SAL [0,1,0,0,1,0|0,0,0]=2 178 B10R1.61 c1ccc(c(c1)C(=O)O)S JKE [0,1,0,0,1,0|0,0,0]=2 179 B10R1.61 c1ccc(c(c1)[N+](=O)O)O CG3 [0,1,0,0,1,0|1,0,0]=3 180 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O OPO [0,1,0,0,1,0|1,0,1]=4 181 B10R1.61 c1cncc(c1C(=O)O)N 4SV [0,1,0,0,1,0|1,0,0]=3 182 B10R1.113 B(c1cccc(c1)N)(O)O APB [0,1,0,0,1,0|1,0,1]=4 183 B10R1.113 CC(=O)c1cccc(c1)N 3AO [0,1,0,0,1,0|1,0,0]=3 184 B10R1.113 CC(=O)c1cccc(c1)O 53C [0,1,0,0,1,0|1,0,0]=3 185 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] 3NT [0,1,0,0,1,0|1,0,1]=4 186 B10R1.113 c1c(cncc1Br)C(=O)N BRT [0,1,0,0,1,0|2,0,0]=4 187 B10R1.113 c1c(cncc1O)C(=O)O 5HN [0,1,0,0,1,0|1,0,0]=3 188 B10R1.113 c1cc(cc(c1)Cl)C(=O)N WCE [0,1,0,0,1,0|1,0,0]=3 189 B10R1.113 c1cc(cc(c1)Cl)C(=O)O 3BZ [0,1,0,0,1,0|0,0,0]=2 190 B10R1.113 c1cc(cc(c1)N)C(=O)N 3AB [0,1,0,0,1,0|1,0,0]=3 191 B10R1.113 c1cc(cc(c1)N)C(=O)O GAB [0,1,0,0,1,0|0,0,0]=2 192 B10R1.113 c1cc(cc(c1)O)C(=O)O 3HB [0,1,0,0,1,0|0,0,0]=2 193 B10R1.113 c1cc(nc(c1)O)C(=O)O 53B [0,1,0,0,1,0|1,0,0]=3 194 B10R1.54 C1=CC(=O)O[C@H]1CC(=O)O MUC [0,1,0,0,1,0|1,0,1]=4 195 B12R1.21 Cc1ccc(cc1)CCC(=O)O PPT [0,1,0,0,0,1|0,0,0]=2 196 B12R1.21 N=C(/N)\SCc1ccc(cc1)Cl F90 [0,1,0,0,0,1|2,0,0]=4 197 B12R1.21 c1cc(ccc1/C=C/C(=O)O)O HC4 [0,1,0,0,0,1|0,0,1]=3 198 B12R1.21 c1cc(ccc1CCC(=O)N)Br TCF [0,1,0,0,0,1|1,0,0]=3 199 B12R1.21 c1cc(ccc1CCC(=O)N)O SGI [0,1,0,0,0,1|1,0,0]=3 200 B12R1.21 c1cc(ccc1CCC(=O)O)Cl S0W [0,1,0,0,0,1|0,0,0]=2 201 B12R1.21 c1cc(ccc1CCC(=O)O)N AHC [0,1,0,0,0,1|0,0,0]=2 202 B12R1.21 c1cc(ccc1CCC(=O)O)O HPP [0,1,0,0,0,1|0,0,0]=2 203 B12R1.43 B([C@H](Cc1ccccc1)N)(O)O B1F [0,1,0,0,0,1|1,0,1]=4 204 B12R1.43 B([C@H](Cc1ccccc1)N)(O)O B2F [0,1,0,0,0,1|1,0,1]=4 205 B12R1.43 CC(=O)[C@H](Cc1ccccc1)N HPC [0,1,0,0,0,1|1,0,0]=3 206 B12R1.43 CN(Cc1ccccc1)C(=S)S P58 [0,1,0,0,0,1|0,2,0]=4 207 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O DPH [0,1,0,0,0,1|0,0,0]=2 208 B12R1.43 C[C@@H]([C@H](Cc1ccccc1)N)O PS0 [0,1,0,0,0,1|1,0,1]=4 209 B12R1.43 C[C@H]([C@H](Cc1ccccc1)N)O HPB [0,1,0,0,0,1|1,0,1]=4 210 B12R1.43 C[C@H]([C@H](Cc1ccccc1)N)O PR0 [0,1,0,0,0,1|1,0,1]=4 211 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O 4LV [0,1,0,0,0,1|0,0,1]=3 212 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N 1MH [0,1,0,0,0,1|1,0,0]=3 213 B12R1.43 c1ccc(cc1)/C=C(/C(=O)O)\N 23F [0,1,0,0,0,1|0,0,1]=3 214 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O 1PY [0,1,0,0,0,1|0,0,0]=2 215 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O PPY [0,1,0,0,0,1|0,0,0]=2 216 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N NFA [0,1,0,0,0,1|1,0,0]=3 217 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)Cl WJ1 [0,1,0,0,0,1|0,0,0]=2 218 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE [0,1,0,0,0,1|0,0,0]=2 219 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N PHE_LFOH [0,1,0,0,0,1|0,0,0]=2 220 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O HFA [0,1,0,0,0,1|0,0,0]=2 221 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LLA [0,1,0,0,0,1|0,0,0]=2 222 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O LOF [0,1,0,0,0,1|0,0,0]=2 223 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)[NH-] PHE_LEO2H [0,1,0,0,0,1|0,0,0]=2 224 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH-] PHE_LEO2 [0,1,0,0,0,1|0,0,1]=3 225 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+] PHE_LFZW [0,1,0,0,0,1|0,0,1]=3 226 B12R1.43 c1ccc(cc1)C[C@@H](C(O)O)N HPH [0,1,0,0,0,1|0,0,2]=4 227 B12R1.43 c1ccc(cc1)C[C@@H](C(O)O)N TPH [0,1,0,0,0,1|0,0,2]=4 228 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)Cl WJ2 [0,1,0,0,0,1|0,0,0]=2 229 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N DPN [0,1,0,0,0,1|0,0,0]=2 230 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O HF2 [0,1,0,0,0,1|0,0,0]=2 231 B12R1.43 c1ccc(cc1)\C=C(\C(=O)O)/F 4LW [0,1,0,0,0,1|0,0,1]=3 232 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 FBZ [0,1,0,0,0,1|0,0,0]=2 233 B12R1.107 c1ccc(cc1)C(CC(=O)O)N SFE [0,1,0,0,0,1|0,0,0]=2 234 B12R1.125 Cc1ccccc1CCC(=O)O 02Q [0,1,0,0,0,1|0,0,0]=2 235 B12R1.125 N=C(/N)\SCc1ccccc1Cl F06 [0,1,0,0,0,1|2,0,0]=4 236 B12R1.125 c1ccc(c(c1)/C=C/C(=O)O)O 2HC [0,1,0,0,0,1|0,0,1]=3 237 B12R1.4 COc1ccc(cc1)CC(=O)N ZHZ [0,2,0,0,0,0|1,0,0]=3 238 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)Cl 05R [0,2,0,0,0,0|0,0,0]=2 239 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)O 3C4 [0,2,0,0,0,0|0,0,0]=2 240 B12R1.19 c1cc(c(cc1CC(=O)O)O)O DHY [0,2,0,0,0,0|0,0,0]=2 241 B12R1.19 c1cc(c(cc1CC(=O)O)O)O HAA [0,2,0,0,0,0|0,0,0]=2 242 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)O D4P [0,2,0,0,0,0|0,0,0]=2 243 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)O)O HHH [0,2,0,0,0,0|0,0,0]=2 244 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O DGH [0,2,0,0,0,0|0,0,0]=2 245 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O GHP [0,2,0,0,0,0|0,0,0]=2 246 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O NTY [0,2,0,0,0,0|0,0,0]=2 247 B12R1.49 c1cc(ccc1CC(=O)NN)F 45Y [0,2,0,0,0,0|1,0,0]=3 248 B12R1.49 c1cc(ccc1C[C@@H](C=O)N)O TYB [0,2,0,0,0,0|1,0,1]=4 249 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O TYE [0,2,0,0,0,0|1,0,1]=4 250 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH-])O TYR_LL [0,2,0,0,0,0|1,0,1]=4 251 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH-])[O-] TYR_LL_DHH [0,2,0,0,0,0|1,0,1]=4 252 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH3+])O TYR_LSN3 [0,2,0,0,0,0|1,0,1]=4 253 B12R1.49 c1cc(ccc1C[C@@H]([C-]=O)[NH3+])[O-] TYR_LSN3_DHH [0,2,0,0,0,0|1,0,1]=4 254 B12R1.49 c1cc(ccc1NC(=N)NO)Cl PH3 [0,2,0,0,0,0|2,0,0]=4 255 B12R1.233 c1cc(c(cc1O)O)SC(=O)O S24 [0,2,0,0,0,0|1,0,0]=3 256 B12R1.34 C[C@@H](c1ccccc1)N(C)C=O PHC [0,2,0,0,0,0|2,0,0]=4 257 B12R1.34 c1ccc(cc1)[C@@H]([C@H](CO)O)N TA2 [0,2,0,0,0,0|0,0,2]=4 258 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)S 23J [0,2,0,0,0,0|0,0,1]=3 259 B12R1.225 c1cc(cc(c1)Cl)[C@H](C(=O)O)O 47E [0,2,0,0,0,0|0,0,0]=2 260 B12R1.225 c1cc(cc(c1)O)C(=O)C(=O)O A29 [0,2,0,0,0,0|0,0,1]=3 261 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)N GRN [0,2,0,0,0,0|0,0,0]=2 262 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O APG [0,2,0,0,0,0|0,0,0]=2 263 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O SAA [0,2,0,0,0,0|0,0,0]=2 264 B12R1.478 CN[C@@H](c1ccccc1)C(=O)O MPQ [0,2,0,0,0,0|0,0,0]=2 265 B12R1.564 c1ccc(cc1)[C@H](N)P(=O)(O)O Q02 [0,2,0,0,0,0|1,0,0]=3 266 B12R1.32 c1ccc(cc1)NC(=O)CCS 4K3 [0,2,0,0,0,0|1,1,0]=4 267 B12R1.127 C1=CC(=O)C=C([C@H]1O)CC(=O)O HQ9 [0,2,0,0,0,0|0,0,1]=3 268 B12R1.127 c1cc(c(cc1O)CC(=O)O)O OMD [0,2,0,0,0,0|0,0,0]=2 269 B12R1.151 Cc1ccccc1OP(=O)(O)O 4OJ [0,2,0,0,0,0|2,0,0]=4 270 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)O)Cl 2CL [0,2,0,0,0,0|0,0,0]=2 271 B12R1.101 C1=C(NC(=O)NC1=O)CC(=O)O UAA [0,2,0,0,0,0|2,0,0]=4 272 B12R1.101 c1c(cc(cc1Cl)Cl)CC(=O)O 3EU [0,2,0,0,0,0|0,0,0]=2 273 B12R1.438 CC(=O)Nc1cccc(c1)CN 463 [0,2,0,0,0,0|2,0,0]=4 274 B10R1.66 c1cc(oc1)CCC(=O)O 6O5 [0,0,1,1,0,0|1,0,1]=4 275 B10R2.6 c1ccc(cc1)[C@@H]2CO2 RSO [1,0,0,1,0,0|0,0,1]=3 276 B10R2.7 c1ccc2c(c1)CC=C2 DEN [1,0,0,1,0,0|1,0,0]=3 277 B10R2.7 c1ccc2c(c1)CCC2 16N [1,0,0,1,0,0|1,0,1]=4 278 B10R2.7 c1ccc2c(c1)CCN2 IDM [1,0,0,1,0,0|1,0,1]=4 279 B10R2.7 c1ccc2c(c1)[nH]cn2 BZI [1,0,0,1,0,0|2,0,0]=4 280 B10R2.7 c1ccc2c(c1)cc[nH]2 IND [1,0,0,1,0,0|1,0,1]=4 281 B10R2.7 c1ccc2c(c1)cco2 BZF [1,0,0,1,0,0|0,0,1]=3 282 B10R2.7 c1ccc2c(c1)cno2 0R1 [1,0,0,1,0,0|1,0,1]=4 283 B10R2.7 c1ccc2c(c1)ncs2 BOT [1,0,0,1,0,0|1,1,0]=4 284 B12R2.24 c1ccc2c(c1)C=CC(=O)N2 OCH [0,0,0,1,0,1|1,0,1]=4 285 B12R2.24 c1ccc2c(c1)C=CC(=O)O2 COU [0,0,0,1,0,1|0,0,1]=3 286 B12R2.24 c1ccc2c(c1)N=C(CS2)N 4JT [0,0,0,1,0,1|2,0,0]=4 287 B12R2.24 c1ccc2cc(ccc2c1)O 03V [0,0,0,1,0,1|1,0,1]=4 288 B12R2.2403 [B+]1(c2ccccc2CO1)(O)O 6M4 [0,0,0,1,0,1|1,0,1]=4 289 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 1P8 [0,1,0,1,0,0|1,0,0]=3 290 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 ES2 [0,1,0,1,0,0|1,0,0]=3 291 B12R2.606 c1cc2c(cc1Cl)NC(=O)O2 CLW [0,1,0,1,0,0|1,0,0]=3 292 B12R2.606 c1cc2c(cc1Cl)NC(=S)O2 5VM [0,1,0,1,0,0|1,1,0]=4 293 B12R2.606 c1cc2c(cc1Cl)nc(o2)N 36R [0,1,0,1,0,0|2,0,0]=4 294 B12R2.18 CC1=C2C=COC=C2OC1=O KKN [0,1,0,1,0,0|1,0,1]=4 295 B12R2.18 CN1Cc2ccccc2C1=O 5WV [0,1,0,1,0,0|2,0,0]=4 296 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 ISN [0,1,0,1,0,0|1,0,1]=4 297 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2O)O 5V4 [0,1,0,1,0,0|0,0,2]=4 298 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O 00X [0,1,0,1,0,0|1,0,1]=4 299 B12R2.32 c1ccc2c(c1)[nH]c(n2)CO XIY [0,1,0,1,0,0|2,0,0]=4 300 B8R1.7 c1c(ncs1)C(=O)O TZO [0,0,0,0,2,0|2,0,0]=4 301 B8R1.7 c1cc([nH]c1)C(=O)[O-] PYC [0,0,0,0,2,0|1,0,1]=4 302 B8R1.7 c1cc(oc1)C(=O)O FOA [0,0,0,0,2,0|1,0,0]=3 303 B8R1.7 c1cc(sc1)C(=O)O C21 [0,0,0,0,2,0|1,0,0]=3 304 B12R1.252 CC(=O)NCCc1ccccc1 54W [0,0,0,0,0,2|1,0,0]=3 305 B12R1.252 c1ccc(cc1)CCCC(=O)O CLT [0,0,0,0,0,2|0,0,0]=2 306 B12R1.252 c1ccc(cc1)CNCC(=O)O 04Q [0,0,0,0,0,2|0,0,0]=2 307 B12R1.252 c1ccc(cc1)SC=CC(=O)O 4ZD [0,0,0,0,0,2|0,0,1]=3