0 B11R1.91 CC(=O)CCC1=CC=CN=C1 DY560043 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.91 CC(C)COC1=NC=CC=C1 DY655892 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.91 CC(O)CCC1=CC=CC=C1 DY746761 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.91 N=C(N)CCC1=NC=CC=C1 DY459714 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.91 NC(=O)CCC1=NC=CC=C1 DY713935 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 NO21725 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.91 O=C(O)C#CC1=CC=CC=C1 NO10957 [0,0,0,0,0,0|1,0,1]=2 7 B11R1.91 O=C(O)CCC1=CC=CC=C1 DY556977 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.91 O=C(O)CNc1ccccc1 DY439073 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.91 O=C(O)CSC1=CC=NC=C1 DY503439 [0,0,0,0,0,0|1,1,0]=2 10 B11R1.91 O=C(O)CSC1=NC=CC=C1 DY500080 [0,0,0,0,0,0|1,1,0]=2 11 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 DY20186 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 DY20799 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 NO20444 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.91 OB(O)CCC1=CC=CC=C1 DY453988 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.17 BrCCOC1=CC=CC=C1 DY20150 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.17 NCCOC1=CC=CC=C1 NO20484 [1,0,0,0,0,0|1,0,1]=3 17 B10R1.17 NCCOC1=CC=CN=C1 NO16368 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.17 NNCCc1ccccc1 DY527511 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.17 O=C=NCC1=CC=CC=C1 DY585959 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.17 O=CC#CC1=CC=CC=C1 NO18196 [1,0,0,0,0,0|1,0,1]=3 21 B10R1.17 O=CCCC1=CC=CN=C1 DY585487 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.17 O=CCSC1=CC=CC=C1 DY566091 [1,0,0,0,0,0|0,1,0]=2 23 B10R1.17 OCCCC1=CC=NC=C1 NO22019 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.17 OC\C=C\C1=CC=CC=C1 DY503697 [1,0,0,0,0,0|1,0,2]=4 25 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 NO14964 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 DY41308 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 NO21832 [0,1,0,0,0,0|1,0,0]=2 28 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 NO15944 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 NO17825 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 DY584672 [0,1,0,0,0,0|0,0,0]=1 31 B12R1.21 O=C(Cl)CCC1=CC=C(Br)C=C1 DY451168 [0,1,0,0,0,0|2,0,0]=3 32 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 NO21674 [0,1,0,0,0,0|1,0,0]=2 33 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 NO19854 [0,1,0,0,0,0|1,0,0]=2 34 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 NO21107 [0,1,0,0,0,0|1,0,0]=2 35 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 DY535089 [0,1,0,0,0,0|0,0,0]=1 36 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 NO21504 [0,1,0,0,0,0|1,0,1]=3 37 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 NO15820 [0,1,0,0,0,0|1,0,1]=3 38 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 DY524049 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.27 COC(=O)CCC1=CC=CC=C1 DY433965 [0,1,0,0,0,0|1,0,0]=2 40 B12R1.27 COC(=O)CCC1=CC=NC=C1 DY662376 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.27 COC(=O)CCC1=NC=CC=C1 DY713929 [0,1,0,0,0,0|2,0,0]=3 42 B12R1.27 COC(=O)CNC1=CC=CC=C1 DY543123 [0,1,0,0,0,0|1,0,0]=2 43 B12R1.27 NNC(=O)CSC1=NC=CC=C1 DY717027 [0,1,0,0,0,0|2,1,0]=4 44 B12R1.27 NNC(=O)OCC1=CC=CC=C1 NO20449 [0,1,0,0,0,0|3,0,0]=4 45 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 NO19947 [0,1,0,0,0,0|3,0,0]=4 46 B12R1.27 O=C(CO)OCC1=CC=CC=C1 DY547407 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O DY20809 [0,1,0,0,0,0|1,0,0]=2 48 B12R1.43 NC(=O)C(N)Cc1ccccc1 DY438080 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.43 NC(CC1=CC=CC=C1)B(O)O DY442654 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O NO18748 [0,1,0,0,0,0|1,0,0]=2 51 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O NO18803 [0,1,0,0,0,0|2,0,0]=3 52 B12R1.43 NC(CC1=CN=CN=C1)C(=O)O DY703735 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O NO15443 [0,1,0,0,0,0|1,0,0]=2 54 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O NO21178 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O DY20764 [0,1,0,0,0,0|2,0,0]=3 56 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 DY624949 [0,1,0,0,0,0|1,0,0]=2 57 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 NO21095 [0,1,0,0,0,0|1,0,0]=2 58 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 NO15800 [0,1,0,0,0,0|1,0,0]=2 59 B12R1.43 [15NH2]C(CC1=CC=CC=C1)C(=O)O DY454731 [0,1,0,0,0,0|1,0,0]=2 60 B12R1.107 CC(CC(=O)O)C1=NC=NC=C1 DY737750 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 DY553521 [0,1,0,0,0,0|1,0,0]=2 62 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 DY459348 [0,1,0,0,0,0|2,0,0]=3 63 B12R1.107 NC(CC(=O)O)C1=CC=CN=C1 NO20300 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.107 O=C([O-])CC(=O)C1=CC=CC=C1 NO17400 [0,1,0,0,0,0|1,0,1]=3 65 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 DY746665 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.125 CC(C)COC1=C(N)C=CC=C1 DY503745 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 DY541725 [0,1,0,0,0,0|1,0,0]=2 68 B12R1.125 CC1=C(CCC(=O)O)C=CN=C1 DY656458 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 DY535083 [0,1,0,0,0,0|0,0,0]=1 70 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 NO21656 [0,1,0,0,0,0|1,0,0]=2 71 B12R1.125 O=C(O)CCC1=NC=CC=C1Br DY656434 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.125 O=C(O)CCN1C=CC=CC1=O NO12670 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.125 O=C(O)CNC1=C(Br)C=CC=C1 DY700615 [0,1,0,0,0,0|1,0,0]=2 74 B12R1.125 O=C(O)CNC1=C(Cl)C=CN=C1 DY700146 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 DY461268 [0,1,0,0,0,0|1,0,1]=3 76 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 NO10967 [0,1,0,0,0,0|1,0,1]=3 77 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 DY461274 [0,1,0,0,0,0|1,0,1]=3 78 B12R1.226 CC1=CC=CC(OCC(=O)O)=C1 DY457048 [0,1,0,0,0,0|0,0,0]=1 79 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 NO21658 [0,1,0,0,0,0|1,0,0]=2 80 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 NO13948 [0,1,0,0,0,0|1,0,0]=2 81 B12R1.226 O=C(O)COC1=CC(Br)=CC=C1 DY532971 [0,1,0,0,0,0|0,0,0]=1 82 B12R1.226 O=C(O)CSC1=NC(Cl)=CN=C1 DY612851 [0,1,0,0,0,0|2,1,0]=4 83 B12R1.226 O=C(O)\C=C\C1=CC(Br)=CC=C1 NO21499 [0,1,0,0,0,0|1,0,1]=3 84 B12R1.226 O=C(O)\C=C\C1=CC(Br)=NC=C1 DY656386 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 NO21503 [0,1,0,0,0,0|1,0,1]=3 86 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 NO10976 [0,1,0,0,0,0|1,0,1]=3 87 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 NO21739 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.891 O=S(=O)(O)CCC1=CC=NC=C1 DY712333 [0,1,0,0,0,0|3,0,0]=4 89 B12R2.24 O=C1C=C2C=CC=CC2=NN1 NO16596 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.24 O=C1C=CC2=CC=CC=C2O1 DY507548 [0,0,0,1,0,0|1,0,1]=3 91 B12R2.24 O=C1CCC2=C(C1)N=CC=C2 DY798129 [0,0,0,1,0,0|3,0,0]=4 92 B12R2.24 O=C1CCC2=CC=CC=C2N1 NO11038 [0,0,0,1,0,0|2,0,0]=3 93 B12R2.24 O=C1CNC2=C(C=CC=N2)N1 DY566469 [0,0,0,1,0,0|3,0,0]=4 94 B12R2.24 O=C1COC2=C(C=CC=C2)N1 NO21568 [0,0,0,1,0,0|1,0,0]=2 95 B12R2.24 O=C1COC2=C(C=NC=C2)N1 DY425642 [0,0,0,1,0,0|2,0,0]=3 96 B12R2.24 O=C1COC2=CC=CC=C2C1 DY681882 [0,0,0,1,0,0|1,0,0]=2 97 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 DY558855 [0,0,0,1,0,0|1,1,0]=3 98 B12R2.24 O=C1N=CC2=CC=CC=C2N1 DY782536 [0,0,0,1,0,0|3,0,0]=4 99 B12R2.24 OC1=CC2=C(C=CC=C2)OC1 DY673380 [0,0,0,1,0,0|1,0,0]=2 100 B12R2.24 OC1=CC2=CC=CC=C2C=C1 NO21708 [0,0,0,1,0,0|2,0,1]=4 101 B12R2.24 OC1=CC2=CC=CC=C2N=C1 NO19154 [0,0,0,1,0,0|2,0,1]=4 102 B12R2.24 OC1=NC2=CC=CC=C2N=C1 NO21605 [0,0,0,1,0,0|2,0,1]=4 103 B12R2.24 OC1CCC2=CC=CC=C2O1 DY681876 [0,0,0,1,0,0|1,0,2]=4 104 B10R1.18 BrC(Br)=CC1=CC=CC=C1 NO16193 [0,0,0,0,1,0|2,0,1]=4 105 B10R1.18 CC(=O)CC1=CC=CN=C1 DY567891 [0,0,0,0,1,0|2,0,0]=3 106 B10R1.18 CC(=O)CC1=CC=NC=C1 NO20988 [0,0,0,0,1,0|2,0,0]=3 107 B10R1.18 CC(=O)CC1=NC=CC=C1 NO20802 [0,0,0,0,1,0|2,0,0]=3 108 B10R1.18 N=C(N)CC1=CC=CN=C1 DY610010 [0,0,0,0,1,0|3,0,0]=4 109 B10R1.18 NC(=O)CC1=NC=CC=N1 NO17323 [0,0,0,0,1,0|3,0,0]=4 110 B10R1.18 NC(=O)NC1=CC=CC=C1 NO10533 [0,0,0,0,1,0|2,0,0]=3 111 B10R1.18 O=C(Cl)OC1=CC=CC=C1 NO18823 [0,0,0,0,1,0|1,0,0]=2 112 B10R1.18 O=C(O)CC1=CC=CN=C1 NO20325 [0,0,0,0,1,0|1,0,0]=2 113 B10R1.18 O=C(O)CC1=CC=NC=C1 NO20327 [0,0,0,0,1,0|1,0,0]=2 114 B10R1.18 O=C(O)CC1=CN=CN=C1 NO10494 [0,0,0,0,1,0|2,0,0]=3 115 B10R1.18 O=C([O-])CC1=NC=CC=C1 DY716949 [0,0,0,0,1,0|1,0,1]=3 116 B10R1.18 O=C([O-])CC1=NC=CC=N1 DY564507 [0,0,0,0,1,0|2,0,1]=4 117 B10R1.18 O=S([O-])CC1=CC=CC=C1 DY745429 [0,0,0,0,1,0|1,0,1]=3 118 B10R1.18 O=[N+]([O-])SC1=CC=CC=C1 DY791007 [0,0,0,0,1,0|1,1,1]=4 119 B10R1.66 O=C(O)CCC1=CC=CN1 NO21786 [0,0,0,0,1,0|2,0,0]=3 120 B10R1.66 O=C(O)CCN1C=CC=N1 DY578343 [0,0,0,0,1,0|3,0,0]=4 121 B10R1.66 O=C(O)\C=C\C1=COC=C1 DY759860 [0,0,0,0,1,0|2,0,1]=4 122 B10R1.66 O=C(O)\C=C\C1=CSC=C1 DY510459 [0,0,0,0,1,0|2,0,1]=4 123 B12R1.252 CC(=O)NCCC1=CC=CC=C1 DY459522 [0,0,0,0,0,1|2,0,0]=3 124 B12R1.252 CN(C)CCOC1=CC=CC=C1 NO11261 [0,0,0,0,0,1|3,0,0]=4 125 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 NO20248 [0,0,0,0,0,1|1,0,1]=3 126 B12R1.252 N=C(N)CCCC1=CC=CC=C1 DY608227 [0,0,0,0,0,1|3,0,0]=4 127 B12R1.252 NC(=S)COCC1=CC=CC=C1 DY430689 [0,0,0,0,0,1|1,1,0]=3 128 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 DY537141 [0,0,0,0,0,1|1,0,0]=2 129 B12R1.252 O=C(O)CCCC1=CC=NC=C1 DY503007 [0,0,0,0,0,1|2,0,0]=3 130 B12R1.252 O=C(O)CCCC1=NC=CC=C1 NO12802 [0,0,0,0,0,1|2,0,0]=3 131 B12R1.252 O=C(O)CNCC1=CC=CC=C1 NO21182 [0,0,0,0,0,1|1,0,0]=2 132 B12R1.252 O=C(O)CNCC1=CC=NC=C1 DY702829 [0,0,0,0,0,1|2,0,0]=3 133 B12R1.252 O=C(O)COCC1=CC=CC=C1 NO14115 [0,0,0,0,0,1|0,0,0]=1 134 B9R0.2 C\C=C\C=C\C=C\C(=O)O DY512841 [1,0,1,0,0,0|0,0,2]=4 135 B9R1.8 C#CCC1=CC=CC=C1 DY501873 [2,0,0,0,0,0|1,0,1]=4 136 B9R1.8 CNCC1=CC=CC=C1 DY10559 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.8 CNCC1=CC=CC=C1 DY20323 [2,0,0,0,0,0|2,0,0]=4 138 B9R1.8 CNCC1=CC=CC=C1 DY21006 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.8 ClCSC1=CC=CC=C1 DY797799 [2,0,0,0,0,0|1,1,0]=4 140 B9R1.8 NNCC1=CC=CC=C1 NO11006 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.8 NNCC1=CC=CC=C1 NO12127 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.8 NOCC1=CC=CC=C1 NO14063 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.8 ONCC1=CC=CC=C1 DY563853 [2,0,0,0,0,0|1,0,0]=3 144 B9R1.8 ONCC1=CC=CC=C1 NO11753 [2,0,0,0,0,0|1,0,0]=3 145 B11R1.1 BrCCOc1ccc(Br)cc1 DY452404 [1,1,0,0,0,0|1,0,1]=4 146 B11R1.1 CC1=CC=C(\C=C\C=O)C=C1 NO16393 [1,1,0,0,0,0|1,0,1]=4 147 B11R1.1 COCOC1=CC=C(C)C=C1 DY449074 [1,1,0,0,0,0|2,0,0]=4 148 B11R1.1 COCOC1=CC=C(Cl)C=C1 DY449092 [1,1,0,0,0,0|2,0,0]=4 149 B11R1.1 COCOC1=CC=C(F)C=C1 DY449098 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.1 ClC1=CC=C(OCCBr)C=C1 DY20815 [1,1,0,0,0,0|1,0,1]=4 151 B11R1.1 O=C\C=C\C1=CC=C(F)C=C1 NO14013 [1,1,0,0,0,0|1,0,1]=4 152 B11R1.1 OCCCC1=CC=C(Cl)C=C1 DY797043 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.1 OCCCC1=CC=C(O)C=C1 DY502467 [1,1,0,0,0,0|1,0,1]=4 154 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 NO21217 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.17 CC1=C(OCC#N)C=CC=C1 NO14720 [1,1,0,0,0,0|1,0,1]=4 156 B11R1.17 CC1=C(OCCN)C=CC=C1 DY605519 [1,1,0,0,0,0|1,0,1]=4 157 B11R1.17 CCCOC1=C(O)C=CC=C1 DY20673 [1,1,0,0,0,0|1,0,1]=4 158 B11R1.17 O=C\C=C\C1=C(Br)C=CC=C1 DY566061 [1,1,0,0,0,0|1,0,1]=4 159 B11R1.17 OCCCC1=C(O)C=CC=C1 DY791619 [1,1,0,0,0,0|1,0,1]=4 160 B11R1.24 COCOC1=CC=CC(Cl)=C1 DY449110 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.24 FC1=CC=CC(OCCBr)=C1 DY574785 [1,1,0,0,0,0|1,0,1]=4 162 B11R1.24 N#CCOC1=CC(Cl)=CC=C1 DY744883 [1,1,0,0,0,0|1,0,1]=4 163 B11R1.24 NC1=CC=CC(OCCO)=C1 DY557451 [1,1,0,0,0,0|0,0,1]=3 164 B11R1.28 BrCCCOC1=CC=CC=C1 NO15031 [1,1,0,0,0,0|1,0,1]=4 165 B11R1.28 BrCCOCC1=CC=CC=C1 NO10998 [1,1,0,0,0,0|1,0,1]=4 166 B11R1.28 CNCCOC1=CC=CC=C1 DY551817 [1,1,0,0,0,0|1,0,1]=4 167 B11R1.28 NCCOCC1=CC=CC=C1 NO20892 [1,1,0,0,0,0|1,0,1]=4 168 B11R1.28 NOCOCC1=CC=CC=C1 DY798807 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.28 O=CCCCC1=CC=CN=C1 DY657979 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.28 OCCCCC1=CC=CC=C1 NO11170 [1,1,0,0,0,0|1,0,1]=4 171 B11R1.28 OCCOCC1=CC=CC=C1 DY20071 [1,1,0,0,0,0|0,0,1]=3 172 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 DY425862 [1,1,0,0,0,0|1,0,1]=4 173 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 NO21216 [1,1,0,0,0,0|1,0,1]=4 174 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 DY10315 [0,1,0,0,1,0|1,0,0]=3 175 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 NO22844 [0,1,0,0,1,0|1,0,0]=3 176 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 DY20138 [0,1,0,0,1,0|1,0,0]=3 177 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 DY797913 [0,1,0,0,1,0|0,0,0]=2 178 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 NO21084 [0,1,0,0,1,0|0,0,0]=2 179 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 NO14692 [0,1,0,0,1,0|1,0,0]=3 180 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 NO21002 [0,1,0,0,1,0|0,0,0]=2 181 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 NO20812 [0,1,0,0,1,0|0,0,0]=2 182 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 NO10817 [0,1,0,0,1,0|0,0,0]=2 183 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 NO20852 [0,1,0,0,1,0|0,0,0]=2 184 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 NO13319 [0,1,0,0,1,0|1,0,0]=3 185 B11R1.20 O=C(O)CC1=NC=C(Br)C=N1 NO12143 [0,1,0,0,1,0|2,0,0]=4 186 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 NO14073 [0,1,0,0,1,0|1,0,0]=3 187 B11R1.20 O=C(O)CC1=NC=C(Cl)C=N1 DY581931 [0,1,0,0,1,0|2,0,0]=4 188 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 NO14652 [0,1,0,0,1,0|2,0,0]=4 189 B11R1.20 O=C(O)CC1=NC=C(O)C=C1 DY512037 [0,1,0,0,1,0|1,0,0]=3 190 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 NO19083 [0,1,0,0,1,0|0,0,1]=3 191 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 NO14544 [0,1,0,0,1,0|0,0,0]=2 192 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 NO10890 [0,1,0,0,1,0|0,0,0]=2 193 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 DY620130 [0,1,0,0,1,0|1,0,1]=4 194 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 NO15488 [0,1,0,0,1,0|1,0,0]=3 195 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 NO14083 [0,1,0,0,1,0|0,0,0]=2 196 B11R1.36 NC(C(=O)O)C1=CC=NC=C1 DY628683 [0,1,0,0,1,0|1,0,0]=3 197 B11R1.36 N[C@@H](C(=O)Cl)C1=CC=CC=C1 NO15858 [0,1,0,0,1,0|1,0,0]=3 198 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 NO11192 [0,1,0,0,1,0|0,0,0]=2 199 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 NO15279 [0,1,0,0,1,0|0,0,0]=2 200 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 NO10862 [0,1,0,0,1,0|0,0,0]=2 201 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 NO10861 [0,1,0,0,1,0|0,0,0]=2 202 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 DY10294 [0,1,0,0,1,0|1,0,0]=3 203 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 DY10318 [0,1,0,0,1,0|1,0,0]=3 204 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 DY427446 [0,1,0,0,1,0|2,0,0]=4 205 B11R1.86 CC(=O)NC1=C(C)C=CC=C1 DY744961 [0,1,0,0,1,0|2,0,0]=4 206 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 NO21203 [0,1,0,0,1,0|2,0,0]=4 207 B11R1.86 CC(=S)OC1=C(Cl)C=CC=C1 DY534765 [0,1,0,0,1,0|1,1,0]=4 208 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 NO21083 [0,1,0,0,1,0|0,0,0]=2 209 B11R1.86 NC(=O)NC1=C(Br)C=CC=C1 DY789621 [0,1,0,0,1,0|2,0,0]=4 210 B11R1.86 NC1=C(CC(=O)O)C=CC=C1 NO20995 [0,1,0,0,1,0|0,0,0]=2 211 B11R1.86 NC1=[N+](CC(=O)[O-])C=CC=C1 NO18077 [0,1,0,0,1,0|1,0,1]=4 212 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 NO20809 [0,1,0,0,1,0|0,0,0]=2 213 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 NO20826 [0,1,0,0,1,0|0,0,0]=2 214 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 NO20849 [0,1,0,0,1,0|0,0,0]=2 215 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 NO20941 [0,1,0,0,1,0|0,0,0]=2 216 B11R1.86 O=C(O)CC1=NC=CC=C1Br DY567855 [0,1,0,0,1,0|1,0,0]=3 217 B11R1.86 O=C(O)CC1=NC=CC=C1Cl NO19561 [0,1,0,0,1,0|1,0,0]=3 218 B11R1.86 O=C(O)CC1=NC=CC=C1F DY431700 [0,1,0,0,1,0|1,0,0]=3 219 B11R1.86 O=C(O)CN1C=CC=CC1=O DY560787 [0,1,0,0,1,0|1,0,0]=3 220 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 NO22187 [0,1,0,0,1,0|1,0,0]=3 221 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 NO22093 [0,1,0,0,1,0|2,0,0]=4 222 B11R1.157 CC(=O)OC1=CC(Br)=CC=C1 DY40001 [0,1,0,0,1,0|1,0,0]=3 223 B11R1.157 NC(=O)CC1=CC(Cl)=CC=C1 DY799707 [0,1,0,0,1,0|1,0,0]=3 224 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 NO21911 [0,1,0,0,1,0|0,0,0]=2 225 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 DY653755 [0,1,0,0,1,0|1,0,0]=3 226 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 NO10775 [0,1,0,0,1,0|0,0,0]=2 227 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 NO21923 [0,1,0,0,1,0|0,0,0]=2 228 B11R1.157 O=C(O)CC1=CC(Cl)=NC=C1 DY577827 [0,1,0,0,1,0|1,0,0]=3 229 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 DY431564 [0,1,0,0,1,0|1,0,0]=3 230 B11R1.157 O=C(O)CC1=CC(F)=NC=C1 DY430121 [0,1,0,0,1,0|1,0,0]=3 231 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 NO20851 [0,1,0,0,1,0|0,0,0]=2 232 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 NO20944 [0,1,0,0,1,0|0,0,0]=2 233 B11R1.157 O=C(O)CC1=NC(Br)=NC=C1 DY692854 [0,1,0,0,1,0|2,0,0]=4 234 B11R1.157 O=C(O)CC1=NC(Cl)=CC=C1 NO12801 [0,1,0,0,1,0|1,0,0]=3 235 B11R1.157 O=C(O)CC1=NC(Cl)=CN=C1 NO12495 [0,1,0,0,1,0|2,0,0]=4 236 B11R1.157 OB(O)CC1=CC(F)=CC=C1 DY706879 [0,1,0,0,1,0|1,0,1]=4 237 B11R1.509 NS(=O)(=O)CC1=CC=CC=C1 NO20418 [0,1,0,0,1,0|1,0,1]=4 238 B11R1.509 NS(=O)(=O)OC1=CC=CC=C1 DY537117 [0,1,0,0,1,0|1,0,1]=4 239 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 NO20295 [0,1,0,0,1,0|1,0,1]=4 240 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O NO20416 [0,1,0,0,1,0|2,0,0]=4 241 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O NO13507 [0,1,0,0,1,0|2,0,0]=4 242 B11R1.35 N[C@H](CC1=COC=C1)C(=O)O DY700993 [0,1,0,0,1,0|2,0,0]=4 243 B11R1.75 O=C(O)CCC1=CC(Cl)=CO1 DY760016 [0,1,0,0,1,0|2,0,0]=4 244 B11R1.77 N[C@@H](CC(=O)O)C1=CSC=C1 DY701305 [0,1,0,0,1,0|2,0,0]=4 245 B11R1.77 N[C@H](CC(=O)O)C1=CC=CO1 DY569493 [0,1,0,0,1,0|2,0,0]=4 246 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 DY628131 [0,1,0,0,0,1|1,0,0]=3 247 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 NO22116 [0,1,0,0,0,1|1,0,0]=3 248 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 DY658752 [0,1,0,0,0,1|2,0,0]=4 249 B13R1.45 O=C(O)CNC(=O)C1=CC=NC=C1 DY703123 [0,1,0,0,0,1|2,0,0]=4 250 B13R1.45 O=C(O)CNC(=O)C1=NC=CC=C1 DY656133 [0,1,0,0,0,1|2,0,0]=4 251 B13R1.149 CC1=CC=CC(OCCC(=O)O)=C1 DY603340 [0,1,0,0,0,1|0,0,0]=2 252 B13R1.149 O=C(O)CCOC1=CC(Br)=CC=C1 DY745723 [0,1,0,0,0,1|0,0,0]=2 253 B13R1.158 O=C(O)CCNC1=C(F)C=CC=C1 DY794985 [0,1,0,0,0,1|1,0,0]=3 254 B13R1.348 CN(CC(=O)O)CC1=CC=CN=C1 DY610621 [0,1,0,0,0,1|2,0,0]=4 255 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 NO11157 [0,1,0,0,0,1|1,0,0]=3 256 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)O DY501206 [0,1,0,0,0,1|0,0,0]=2 257 B13R1.351 C[C@H](OCC1=CC=CC=C1)C(=O)O NO17364 [0,1,0,0,0,1|0,0,0]=2 258 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O NO11152 [0,1,0,0,0,1|1,0,0]=3 259 B13R1.351 O=C(O)C(=O)\C=C\C1=CC=CC=C1 DY585153 [0,1,0,0,0,1|1,0,1]=4 260 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 NO11118 [0,1,0,0,0,1|1,0,0]=3 261 B13R1.351 O=C(O)[C@H](O)CCC1=CC=CC=C1 NO11117 [0,1,0,0,0,1|1,0,0]=3 262 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 NO11150 [0,1,0,0,0,1|1,0,0]=3 263 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 NO11085 [0,1,0,0,0,1|1,0,0]=3 264 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 NO15672 [0,1,0,0,0,1|1,0,0]=3 265 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 DY548835 [0,1,0,0,0,1|0,0,0]=2 266 B13R1.718 C=CC(O)COCC1=CC=CC=C1 DY745357 [0,1,0,0,0,1|1,0,1]=4 267 B13R1.718 CCC(=O)COCC1=CC=CC=C1 DY686515 [0,1,0,0,0,1|1,0,0]=3 268 B13R1.718 COC(=O)CCCC1=CC=CC=C1 DY538413 [0,1,0,0,0,1|1,0,0]=3 269 B13R1.718 COC(=O)CCNC1=CC=CC=C1 NO22398 [0,1,0,0,0,1|1,0,0]=3 270 B13R1.718 COC(=O)CCOC1=CC=CC=C1 DY789279 [0,1,0,0,0,1|0,0,0]=2 271 B13R1.718 COC(=O)C\N=C\C1=CC=CC=C1 DY687037 [0,1,0,0,0,1|1,0,0]=3 272 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 DY622029 [0,1,0,0,0,1|1,0,1]=4 273 B13R1.718 N[C@H](CO)COCC1=CC=CC=C1 NO13312 [0,1,0,0,0,1|1,0,1]=4 274 B13R1.718 OCC(O)COCC1=CC=CC=C1 NO20085 [0,1,0,0,0,1|0,0,2]=4 275 B13R1.3 COC1=CC=C(OCC(=N)N)C=C1 DY603063 [0,2,0,0,0,0|2,0,0]=4 276 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 DY21104 [0,2,0,0,0,0|1,0,1]=4 277 B13R1.3 N#CC1=CC=C(CCC(=O)O)C=C1 NO21838 [0,2,0,0,0,0|1,0,0]=3 278 B13R1.3 N#CC1=CC=C(NCC(=O)O)C=C1 NO11716 [0,2,0,0,0,0|1,0,0]=3 279 B13R1.3 N#CC1=CC=C(\C=C\C(=O)O)C=C1 DY792549 [0,2,0,0,0,0|1,0,1]=4 280 B13R1.3 O=C(O)COC1=CC=C(CO)C=C1 NO21127 [0,2,0,0,0,0|0,0,0]=2 281 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 DY744085 [0,2,0,0,0,0|0,0,0]=2 282 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 DY557235 [0,2,0,0,0,0|1,0,0]=3 283 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 DY550635 [0,2,0,0,0,0|1,0,0]=3 284 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 NO11125 [0,2,0,0,0,0|1,0,0]=3 285 B13R1.14 COC(=O)COC1=CC=C(N)C=C1 DY584698 [0,2,0,0,0,0|0,0,0]=2 286 B13R1.14 COC(=O)COC1=NC=C(Br)C=C1 DY662334 [0,2,0,0,0,0|1,0,0]=3 287 B13R1.14 COC(=O)\C=C\C1=CC=C(N)C=C1 DY746491 [0,2,0,0,0,0|1,0,1]=4 288 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 NO11646 [0,2,0,0,0,0|1,0,1]=4 289 B13R1.14 NNC(=O)COC1=CC=C(Cl)C=C1 DY600869 [0,2,0,0,0,0|1,0,0]=3 290 B13R1.14 OCC(O)COC1=CC=C(Cl)C=C1 DY34150 [0,2,0,0,0,0|0,0,2]=4 291 B13R1.132 NC(=O)CC(N)C1=CC=C(F)C=C1 DY746977 [0,2,0,0,0,0|2,0,0]=4 292 B13R1.132 NC(CC(=O)O)C1=CC=C(Br)C=C1 NO15527 [0,2,0,0,0,0|1,0,0]=3 293 B13R1.132 NC(CC(=O)O)C1=CC=C(F)C=C1 NO10885 [0,2,0,0,0,0|1,0,0]=3 294 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(Br)C=C1 DY628347 [0,2,0,0,0,0|1,0,0]=3 295 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(Cl)C=C1 NO13598 [0,2,0,0,0,0|1,0,0]=3 296 B13R1.133 CC(Oc1ccc(O)cc1)C(=O)O DY566757 [0,2,0,0,0,0|0,0,0]=2 297 B13R1.133 CC1=CC=C(SC(C)C(=O)O)C=C1 DY601507 [0,2,0,0,0,0|0,1,0]=3 298 B13R1.133 C\C(=C/C1=CC=C(F)C=C1)C(=O)O DY541833 [0,2,0,0,0,0|1,0,1]=4 299 B13R1.133 Cc1ccc(CC(N)C(=O)O)cc1 DY555471 [0,2,0,0,0,0|1,0,0]=3 300 B13R1.133 NC(CC1=CC=C(Br)C=C1)C(=O)O DY703045 [0,2,0,0,0,0|1,0,0]=3 301 B13R1.133 N[13C@@H]([13CH2][13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1)[13C](=O)O DY454737 [0,2,0,0,0,0|1,0,0]=3 302 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O NO10882 [0,2,0,0,0,0|1,0,0]=3 303 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O NO10886 [0,2,0,0,0,0|1,0,0]=3 304 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O NO22841 [0,2,0,0,0,0|1,0,0]=3 305 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O NO10887 [0,2,0,0,0,0|1,0,0]=3 306 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O NO19180 [0,2,0,0,0,0|1,0,0]=3 307 B13R1.133 N[C@@H](Cc1ccc(Cl)cc1)C(=O)O DY436856 [0,2,0,0,0,0|1,0,0]=3 308 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O NO10883 [0,2,0,0,0,0|1,0,0]=3 309 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O DY428053 [0,2,0,0,0,0|1,0,0]=3 310 B13R1.133 N[C@H](CC1=CC=C(O)C=C1)C(=O)O NO19139 [0,2,0,0,0,0|1,0,0]=3 311 B13R1.133 Nc1ccc(C[C@H](N)C(=O)O)cc1 DY436187 [0,2,0,0,0,0|1,0,0]=3 312 B13R1.133 O=C(O)C(=O)CC1=CC=C(Cl)C=C1 DY551097 [0,2,0,0,0,0|1,0,1]=4 313 B13R1.164 CC1=CC(C)=C(OCC(=O)O)C=C1 DY789627 [0,2,0,0,0,0|0,0,0]=2 314 B13R1.164 O=C(Cl)COC1=C(Cl)C=C(Cl)C=C1 DY796107 [0,2,0,0,0,0|1,0,0]=3 315 B13R1.164 O=C(O)CCC1=C(F)C=C(Cl)C=C1 DY792225 [0,2,0,0,0,0|1,0,0]=3 316 B13R1.164 O=C(O)COC1=C(Br)C=C(Br)C=C1 DY501711 [0,2,0,0,0,0|0,0,0]=2 317 B13R1.164 O=C(O)COC1=C(Cl)C=C(Cl)C=C1 NO16351 [0,2,0,0,0,0|0,0,0]=2 318 B13R1.164 O=C(O)COC1=C(O)C=C(Cl)C=C1 NO16588 [0,2,0,0,0,0|0,0,0]=2 319 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(Br)C=C1 DY40207 [0,2,0,0,0,0|1,0,1]=4 320 B13R1.164 O=C(O)\C=C\C1=C(F)C=C(F)C=C1 DY40213 [0,2,0,0,0,0|1,0,1]=4 321 B13R1.511 CC1=C(C)C=C(OCC(=O)O)C=C1 DY518145 [0,2,0,0,0,0|0,0,0]=2 322 B13R1.511 O=C(O)CCC1=CC(F)=C(Cl)C=C1 NO13209 [0,2,0,0,0,0|1,0,0]=3 323 B13R1.511 O=C(O)CCC1=CC(F)=C(F)C=C1 DY40201 [0,2,0,0,0,0|1,0,0]=3 324 B13R1.511 O=C(O)\C=C\C1=CC(Cl)=C(F)C=C1 DY20199 [0,2,0,0,0,0|1,0,1]=4 325 B13R1.511 O=C(O)\C=C\C1=CC(F)=C(F)C=C1 NO21437 [0,2,0,0,0,0|1,0,1]=4 326 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 NO14849 [0,2,0,0,0,0|2,0,0]=4 327 B13R1.11 COC(=O)CC(N)C1=CC=NC=C1 DY700483 [0,2,0,0,0,0|2,0,0]=4 328 B13R1.11 COC(=O)CN(C)C1=NC=CC=C1 NO17411 [0,2,0,0,0,0|2,0,0]=4 329 B13R1.11 COC(=O)C[C@H](N)C1=NC=CC=C1 DY625915 [0,2,0,0,0,0|2,0,0]=4 330 B13R1.15 COC(=O)C#CC1=CC(F)=CC=C1 DY431831 [0,2,0,0,0,0|1,0,1]=4 331 B13R1.42 C=COC(=O)OCC1=CC=CC=C1 DY111305 [0,2,0,0,0,0|2,0,0]=4 332 B13R1.42 CCOC(=O)CCC1=CC=CN=C1 DY661743 [0,2,0,0,0,0|2,0,0]=4 333 B13R1.42 CCOC(=O)COC1=CC=CN=C1 NO19787 [0,2,0,0,0,0|1,0,0]=3 334 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 DY700044 [0,2,0,0,0,0|1,0,0]=3 335 B13R1.135 COC(=O)C(O)CC1=CC=CC=C1 NO21578 [0,2,0,0,0,0|1,0,0]=3 336 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 NO11158 [0,2,0,0,0,0|1,0,0]=3 337 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 NO11127 [0,2,0,0,0,0|1,0,0]=3 338 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 NO14552 [0,2,0,0,0,0|1,0,0]=3 339 B13R1.528 CNC(=O)COC1=C(Br)C=CC=C1 DY615039 [0,2,0,0,0,0|1,0,0]=3 340 B13R1.148 NC(CC1=CC(Br)=CC=C1)C(=O)O NO14986 [0,2,0,0,0,0|1,0,0]=3 341 B13R1.148 NC(CC1=CC(I)=CC=C1)C(=O)O DY702859 [0,2,0,0,0,0|1,0,0]=3 342 B13R1.148 N[C@@H](CC1=CC(Br)=CC=C1)C(=O)O DY20846 [0,2,0,0,0,0|1,0,0]=3 343 B13R1.148 N[C@@H](Cc1cccc(O)c1)C(=O)O DY561945 [0,2,0,0,0,0|1,0,0]=3 344 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O NO13600 [0,2,0,0,0,0|1,0,0]=3 345 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O DY528723 [0,2,0,0,0,0|1,0,0]=3 346 B13R1.202 CC(OC1=C(Cl)C=CC=C1)C(=O)O DY744079 [0,2,0,0,0,0|0,0,0]=2 347 B13R1.202 CC1=C(C[C@@H](N)C(=O)O)C=CC=C1 DY585918 [0,2,0,0,0,0|1,0,0]=3 348 B13R1.202 NC(CC1=C(Cl)C=CC=C1)C(=O)O NO18722 [0,2,0,0,0,0|1,0,0]=3 349 B13R1.202 N[C@@H](CC1=C(Cl)C=CC=C1)C(=O)O NO13435 [0,2,0,0,0,0|1,0,0]=3 350 B13R1.202 O=C(O)C(=O)NC1=C(Cl)C=CC=C1 DY605327 [0,2,0,0,0,0|1,0,1]=4 351 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O DY703681 [0,2,0,0,0,0|1,0,0]=3 352 B13R1.418 CN[C@H](CC1=CC=CC=C1)C(=O)O NO17818 [0,2,0,0,0,0|1,0,0]=3 353 B13R1.418 O=C(O)[C@H](CO)CC1=CC=CC=C1 DY525087 [0,2,0,0,0,0|1,0,0]=3 354 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O DY581673 [0,2,0,0,0,0|0,0,0]=2 355 B13R1.1073 C[C@](N)(Cc1ccccc1)C(=O)O DY437929 [0,2,0,0,0,0|1,0,0]=3 356 B13R1.147 CC1=CC(C(N)CC(=O)O)=CC=C1 DY567051 [0,2,0,0,0,0|1,0,0]=3 357 B13R1.147 CC1=CC=CC([C@H](N)CC(=O)O)=C1 DY701869 [0,2,0,0,0,0|1,0,0]=3 358 B13R1.147 N[C@@H](CC(=O)O)C1=CC(O)=CC=C1 DY701881 [0,2,0,0,0,0|1,0,0]=3 359 B13R1.201 CC1=C([C@@H](N)CC(=O)O)C=CC=C1 NO20342 [0,2,0,0,0,0|1,0,0]=3 360 B13R1.201 NC(CC(=O)O)C1=C(Cl)C=CC=C1 DY460986 [0,2,0,0,0,0|1,0,0]=3 361 B13R1.201 NC(CC(=O)O)C1=C(F)C=CC=C1 DY429426 [0,2,0,0,0,0|1,0,0]=3 362 B13R1.201 NC(CC(=O)O)C1=C(O)C=CC=C1 DY702673 [0,2,0,0,0,0|1,0,0]=3 363 B13R1.201 N[C@@H](CC(=O)O)C1=C(Br)C=CC=C1 DY701845 [0,2,0,0,0,0|1,0,0]=3 364 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 DY795831 [0,2,0,0,0,0|1,1,0]=4 365 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 DY547563 [0,2,0,0,0,0|1,0,0]=3 366 B13R1.713 NC[C@H](CC(=O)O)C1=CC=CC=C1 DY702841 [0,2,0,0,0,0|1,0,0]=3 367 B13R1.90 COC1=CC=CN=C1CCC(=O)O DY656452 [0,2,0,0,0,0|2,0,0]=4 368 B13R1.150 O=C(O)CCC1=C(F)C(Br)=CC=C1 NO13286 [0,2,0,0,0,0|1,0,0]=3 369 B13R1.893 CC1=CC(\C=C\C(=O)O)=C(C)C=C1 DY584572 [0,2,0,0,0,0|1,0,1]=4 370 B13R1.893 O=C(O)CCC1=C(O)C=CC(Br)=C1 DY570159 [0,2,0,0,0,0|1,0,0]=3 371 B13R1.893 O=C(O)\C=C\C1=C(F)C=CC(Br)=C1 DY538011 [0,2,0,0,0,0|1,0,1]=4 372 B13R1.3420 O=C(O)\C=C\C1=CC(Cl)=CC(Cl)=C1 DY538677 [0,2,0,0,0,0|1,0,1]=4 373 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 NO16516 [0,0,1,1,0,0|1,0,1]=4 374 B11R2.1 BrC1=COC2=C1C=CC=C2 NO20626 [1,0,0,1,0,0|1,0,1]=4 375 B11R2.1 CC1=NOC2=C1C=CC=C2 NO22352 [1,0,0,1,0,0|2,0,0]=4 376 B11R2.1 ClC1=NOC2=C1C=CC=C2 NO19970 [1,0,0,1,0,0|2,0,0]=4 377 B11R2.1 NC1=NOC2=C1C=CC=C2 NO20240 [1,0,0,1,0,0|2,0,0]=4 378 B11R2.1 O=C1CCC2=CC=CC=C12 NO18668 [1,0,0,1,0,0|1,0,0]=3 379 B11R2.1 O=C1CCC2=CC=CN=C12 NO10816 [1,0,0,1,0,0|2,0,0]=4 380 B11R2.1 O=C1CCC2=NC=CC=C12 NO18212 [1,0,0,1,0,0|2,0,0]=4 381 B11R2.1 O=C1COC2=NC=CC=C12 DY441318 [1,0,0,1,0,0|1,0,0]=3 382 B11R2.1 O=C1CSC2=C1C=CC=C2 NO20606 [1,0,0,1,0,0|0,1,0]=3 383 B11R2.1 O=C1N=NC2=CC=CC=C12 DY762524 [1,0,0,1,0,0|2,0,0]=4 384 B11R2.1 O=C1NCC2=CC=CC=C12 NO11515 [1,0,0,1,0,0|2,0,0]=4 385 B11R2.1 O=C1NSC2=C1C=CC=C2 NO14057 [1,0,0,1,0,0|1,1,0]=4 386 B11R2.1 O=C1OCC2=CC=CC=C12 NO11853 [1,0,0,1,0,0|2,0,0]=4 387 B11R2.1 OC1=NOC2=NC=CC=C12 DY683137 [1,0,0,1,0,0|2,0,0]=4 388 B11R2.1 O[C@@H]1CCC2=CC=CC=C21 DY567765 [1,0,0,1,0,0|1,0,1]=4 389 B11R2.239 C1=CC=C(C2CCO2)C=C1 DY732709 [1,0,0,1,0,0|1,0,1]=4 390 B11R2.10 BrC1=CC2=CC=CC=C2C1 NO21490 [0,0,0,1,1,0|2,0,0]=4 391 B11R2.10 O=C1CC2=C(C=CC=C2)O1 DY20944 [0,0,0,1,1,0|0,0,0]=2 392 B11R2.10 O=C1CC2=CC=CC=C2C1 NO16080 [0,0,0,1,1,0|1,0,0]=3 393 B11R2.10 O=C1CC2=CC=CC=C2N1 NO15184 [0,0,0,1,1,0|1,0,0]=3 394 B11R2.10 O=C1CC2=CC=CN=C2N1 DY523179 [0,0,0,1,1,0|2,0,0]=4 395 B11R2.10 O=C1NC2=C(C=CC=C2)O1 NO15190 [0,0,0,1,1,0|1,0,0]=3 396 B11R2.10 O=C1NC2=NC=CC=C2O1 NO18902 [0,0,0,1,1,0|2,0,0]=4 397 B11R2.10 O=C1OC2=C(C=CC=C2)O1 NO10973 [0,0,0,1,1,0|0,0,0]=2 398 B11R2.10 OC1=CC2=C(C=CC=C2)O1 DY751579 [0,0,0,1,1,0|1,0,0]=3 399 B11R2.10 OC1=CC2=CC=CC=C2N1 DY726793 [0,0,0,1,1,0|1,0,1]=4 400 B11R2.10 OC1=NC2=C(C=CC=C2)N1 NO20242 [0,0,0,1,1,0|2,0,0]=4 401 B11R2.10 OC1CC2=CC=CC=C2C1 NO21608 [0,0,0,1,1,0|1,0,1]=4 402 B11R2.10 SC1=NC2=C(C=CC=C2)O1 DY20463 [0,0,0,1,1,0|1,1,0]=4 403 B11R2.36 O=C1COC2=C(C=CS2)N1 DY822625 [0,0,0,1,1,0|2,0,0]=4 404 B11R2.36 O=C1COC2=C(N1)SC=C2 DY822624 [0,0,0,1,1,0|2,0,0]=4 405 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 NO13543 [0,0,0,1,0,1|2,0,0]=4 406 B13R2.10 O=C1CSC(C2=CC=CC=C2)=N1 DY573363 [0,0,0,1,0,1|1,1,0]=4 407 B13R2.10 O=C1NCC(c2ccccc2)O1 DY798081 [0,0,0,1,0,1|1,0,0]=3 408 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 NO11043 [0,0,0,1,0,1|2,0,0]=4 409 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 NO11041 [0,0,0,1,0,1|2,0,0]=4 410 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 NO22270 [0,0,0,1,0,1|1,0,1]=4 411 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 NO10958 [0,0,0,1,0,1|0,1,1]=4 412 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 NO10762 [0,0,0,1,0,1|1,0,1]=4 413 B13R2.72 O=C(O)C1=NOC2=C1C=CC=C2 NO20483 [0,0,0,1,0,1|0,0,1]=3 414 B13R2.72 O=C(O)C1=NSC2=C1C=CC=C2 DY553689 [0,0,0,1,0,1|0,1,1]=4 415 B13R2.72 O=C(O)C1CCC2=CC=CC=C21 NO20735 [0,0,0,1,0,1|1,0,0]=3 416 B13R2.72 O=C(O)[C@H]1NCC2=CC=CC=C21 DY629152 [0,0,0,1,0,1|1,0,0]=3 417 B13R2.163 O=C1CC2=C(C=CC=C2)CCN1 DY528321 [0,0,0,1,0,1|2,0,0]=4 418 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 NO10012 [0,0,0,1,0,1|2,0,0]=4 419 B13R2.163 O=C1CNCC2=C(C=CC=C2)N1 DY534075 [0,0,0,1,0,1|2,0,0]=4 420 B13R2.423 CC(=O)N1CC1C2=CC=CC=C2 DY743899 [0,0,0,1,0,1|2,0,0]=4 421 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CN=C2 DY522999 [0,0,0,1,0,1|2,0,0]=4 422 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 DY542877 [0,0,0,1,0,1|1,0,0]=3 423 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 DY581337 [0,0,0,1,0,1|1,0,0]=3 424 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 DY20949 [0,0,0,1,0,1|1,0,1]=4 425 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 DY20329 [0,0,0,1,0,1|1,0,1]=4 426 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 DY20328 [0,0,0,1,0,1|1,0,1]=4 427 B13R2.147 O=C1CC(C2=CC=C(Cl)C=C2)N1 DY720148 [0,1,0,1,0,0|2,0,0]=4 428 B13R2.155 CC1=CC2=C(N=C1)OCC(=O)N2 DY681027 [0,1,0,1,0,0|2,0,0]=4 429 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 NO10778 [0,1,0,1,0,0|2,0,0]=4 430 B13R2.155 NC1=CC=C2NCC(=O)NC2=C1 DY784444 [0,1,0,1,0,0|2,0,0]=4 431 B13R2.155 Nc1ccc2c(c1)NC(=O)CO2 DY41745 [0,1,0,1,0,0|1,0,0]=3 432 B13R2.155 O=C1C=CC2=CC=C(O)C=C2O1 NO16303 [0,1,0,1,0,0|1,0,1]=4 433 B13R2.155 O=C1CCC2=CC=C(O)C=C2C1 NO18274 [0,1,0,1,0,0|2,0,0]=4 434 B13R2.155 O=C1CCC2=CC=C(O)C=C2N1 NO21727 [0,1,0,1,0,0|2,0,0]=4 435 B13R2.155 O=C1COC2=C(C=C(Br)C=C2)N1 NO10626 [0,1,0,1,0,0|1,0,0]=3 436 B13R2.155 O=C1COC2=C(N=C(Br)C=C2)N1 NO12862 [0,1,0,1,0,0|2,0,0]=4 437 B13R2.155 O=C1COC2=C(N=C(Cl)C=C2)N1 DY679356 [0,1,0,1,0,0|2,0,0]=4 438 B13R2.57 N#CC1COC2=C(C=CC=C2)O1 DY501158 [0,1,0,1,0,0|1,0,1]=4 439 B13R2.57 NCC1COC2=C(C=CC=C2)O1 DY429909 [0,1,0,1,0,0|1,0,1]=4 440 B13R2.57 O=C[C@@H]1CCC2=CC=CC=C2O1 DY625765 [0,1,0,1,0,0|1,0,1]=4 441 B13R2.57 OC[C@@H]1COC2=C(C=CC=C2)O1 DY621344 [0,1,0,1,0,0|0,0,2]=4 442 B13R2.373 CC1C(=O)CN1C2=CC=CC=C2 DY719782 [0,1,0,1,0,0|2,0,0]=4 443 B13R2.369 O=C1OC2=CC=CC=C2C=C1O DY581331 [0,1,0,1,0,0|1,0,1]=4 444 B13R2.435 CC(=O)C1=NC2=C(C=CC=C2)O1 NO12977 [0,1,0,1,0,0|1,0,1]=4 445 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 NO21478 [0,1,0,1,0,0|0,0,1]=3 446 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 NO21476 [0,1,0,1,0,0|0,1,1]=4 447 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 NO22268 [0,1,0,1,0,0|1,0,1]=4 448 B13R2.435 O=C(O)C1=CC2=NC=CC=C2O1 DY509336 [0,1,0,1,0,0|1,0,1]=4 449 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 DY750679 [0,1,0,1,0,0|1,0,1]=4 450 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 NO18211 [0,1,0,1,0,0|1,0,1]=4 451 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)O1 DY442734 [0,1,0,1,0,0|0,0,1]=3 452 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 DY611900 [0,1,0,1,0,0|0,1,1]=4 453 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 NO10508 [0,1,0,1,0,0|0,1,1]=4 454 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 DY20135 [0,1,0,1,0,0|1,0,0]=3 455 B13R2.435 O=C(O)[C@@H]1CC2=CC=CC=C2N1 NO11042 [0,1,0,1,0,0|1,0,0]=3 456 B13R2.435 O=C(O)[C@@H]1CC2=CC=CN=C2N1 DY623964 [0,1,0,1,0,0|2,0,0]=4 457 B13R2.216 O=C1CC(C2=C(F)C=CC=C2)C1 DY459011 [0,1,0,1,0,0|2,0,0]=4 458 B13R2.3587 ClC1=C(OCC2CO2)C=CC=C1 DY791163 [0,1,0,1,0,0|1,0,1]=4 459 B13R2.5179 NC1=C2CCC(=O)NC2=CC=C1 DY456430 [0,1,0,1,0,0|2,0,0]=4 460 B13R2.5179 O=C1C=CC2=C(Cl)C=CC=C2O1 DY677772 [0,1,0,1,0,0|1,0,1]=4 461 B13R2.5179 O=C1CCC2=C(Br)C=CC=C2C1 DY20821 [0,1,0,1,0,0|2,0,0]=4 462 B13R2.5179 O=C1CCC2=C(F)C=CC=C2C1 DY559869 [0,1,0,1,0,0|2,0,0]=4 463 B13R2.5179 O=C1COC2=C(C=CN=C2Cl)N1 DY677724 [0,1,0,1,0,0|2,0,0]=4 464 B13R2.151 O=C1CC(C2=CC(Br)=CC=C2)C1 DY577359 [0,1,0,1,0,0|2,0,0]=4 465 B13R2.162 O=C1C=CC2=C(O1)C(Br)=CC=C2 NO12344 [0,1,0,1,0,0|1,0,1]=4 466 B13R2.162 O=C1CCC2=CC=CC(Br)=C2C1 DY425726 [0,1,0,1,0,0|2,0,0]=4 467 B13R2.162 O=C1CCC2=CC=CC(F)=C2N1 DY523533 [0,1,0,1,0,0|2,0,0]=4 468 B13R2.162 O=C1CCC2=CC=CC(O)=C2C1 DY20770 [0,1,0,1,0,0|2,0,0]=4 469 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 NO10739 [0,1,0,1,0,0|1,0,1]=4 470 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)CO2 DY680271 [0,1,0,1,0,0|1,0,0]=3 471 B13R2.3683 O=C1C=CC2=CC(Br)=CC=C2O1 NO12500 [0,1,0,1,0,0|1,0,1]=4 472 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2N1 NO14148 [0,1,0,1,0,0|2,0,0]=4 473 B13R2.3683 O=C1CCC2=CC(Cl)=CC=C2O1 DY679485 [0,1,0,1,0,0|1,0,0]=3 474 B13R2.3683 O=C1CCC2=CC(F)=CC=C2C1 NO11331 [0,1,0,1,0,0|2,0,0]=4 475 B13R2.3683 O=C1CCC2=CC(O)=CC=C2C1 NO10710 [0,1,0,1,0,0|2,0,0]=4 476 B13R2.3683 O=C1CCC2=CC(O)=CC=C2N1 NO22115 [0,1,0,1,0,0|2,0,0]=4 477 B13R2.3683 O=C1COC2=C(C=CC(I)=C2)N1 NO15735 [0,1,0,1,0,0|1,0,0]=3 478 B13R2.3683 O=C1COC2=C(N=CC(Br)=C2)N1 NO14508 [0,1,0,1,0,0|2,0,0]=4 479 B9R1.6 CC(=O)C1=CC=CN=C1 NO18256 [0,0,0,0,2,0|2,0,0]=4 480 B9R1.6 CC(=O)C1=CC=NC=C1 NO22535 [0,0,0,0,2,0|2,0,0]=4 481 B9R1.6 CC(=O)C1=NC=CC=C1 NO18611 [0,0,0,0,2,0|2,0,0]=4 482 B9R1.6 CS(=O)C1=CC=CC=C1 DY510356 [0,0,0,0,2,0|2,0,0]=4 483 B9R1.6 C[PH](=O)C1=CC=CC=C1 NO16386 [0,0,0,0,2,0|2,0,0]=4 484 B9R1.6 C[S@@](=O)C1=CC=CC=C1 DY621380 [0,0,0,0,2,0|2,0,0]=4 485 B9R1.6 N=C(N)C1=CC=CC=C1 NO14830 [0,0,0,0,2,0|2,0,0]=4 486 B9R1.6 NC(=O)C1=CC=NC=C1 NO13721 [0,0,0,0,2,0|2,0,0]=4 487 B9R1.6 NC(=O)C1=CN=CC=C1 DY583359 [0,0,0,0,2,0|2,0,0]=4 488 B9R1.6 NC(=O)C1=NC=CC=C1 NO11910 [0,0,0,0,2,0|2,0,0]=4 489 B9R1.6 O=C(Br)C1=CC=CC=C1 DY585100 [0,0,0,0,2,0|1,0,0]=3 490 B9R1.6 O=C(Cl)C1=CC=CC=C1 DY40435 [0,0,0,0,2,0|1,0,0]=3 491 B9R1.6 O=C(Cl)C1=NC=CC=C1 NO11857 [0,0,0,0,2,0|2,0,0]=4 492 B9R1.6 O=C(O)C1=CC=CN=C1 DY41633 [0,0,0,0,2,0|1,0,0]=3 493 B9R1.6 O=C(O)C1=CC=CN=N1 NO19741 [0,0,0,0,2,0|2,0,0]=4 494 B9R1.6 O=C(O)C1=CN=CN=C1 NO17525 [0,0,0,0,2,0|2,0,0]=4 495 B9R1.6 O=C(O)C1=NC=CC=C1 NO13384 [0,0,0,0,2,0|1,0,0]=3 496 B9R1.6 O=C(O)C1=NC=CN=C1 NO17531 [0,0,0,0,2,0|2,0,0]=4 497 B9R1.6 O=C([O-])C1=CC=CC=C1 DY558819 [0,0,0,0,2,0|0,0,1]=3 498 B9R1.6 O=C([O-])C1=NC=CC=C1 DY712843 [0,0,0,0,2,0|1,0,1]=4 499 B9R1.6 O=C([O-])C1=NC=CC=C1 DY714470 [0,0,0,0,2,0|1,0,1]=4 500 B9R1.6 O=[PH](O)C1=CC=CC=C1 DY532299 [0,0,0,0,2,0|1,0,0]=3 501 B9R1.6 OB(O)C1=CC=CC=C1 NO19450 [0,0,0,0,2,0|1,0,1]=4 502 B9R1.13 CC(=O)CC1=CSC=C1 DY787564 [0,0,0,0,2,0|2,0,0]=4 503 B9R1.13 O=C(O)CC1=CC=CS1 NO23025 [0,0,0,0,2,0|1,0,0]=3 504 B9R1.13 O=C(O)CC1=CN=CN1 NO22764 [0,0,0,0,2,0|2,0,0]=4 505 B9R1.13 O=C(O)CN1C=CC=C1 DY793113 [0,0,0,0,2,0|1,0,0]=3 506 B9R1.13 O=C(O)CN1C=CN=C1 NO22762 [0,0,0,0,2,0|2,0,0]=4 507 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 NO11144 [0,0,0,0,0,2|2,0,0]=4 508 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 DY797079 [0,0,0,0,0,2|0,0,0]=2 509 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 DY439151 [0,0,0,0,0,2|0,1,0]=3