0 B14R1.160 CC(C)COC(=O)C1=CC=CC=C1O HR124358 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.160 O=C(O)CNC(=O)C1=C(Cl)C=CC=C1 HR119037 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.45 CC(=O)NCC(=O)C1=CC=CC=C1 HR112163 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 HR123231 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 HR143271 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.45 CC(O)CCC(=O)C1=CC=CC=C1 HR136596 [1,0,0,0,0,0|1,0,1]=3 6 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 HR135069 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 HR142562 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.45 O=C(CCC(Cl)Cl)C1=CC=CC=C1 HR116696 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 HR123840 [1,0,0,0,0,0|0,0,0]=1 10 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 HR128914 [1,0,0,0,0,0|1,0,0]=2 11 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=C1 HR142552 [1,0,0,0,0,0|2,0,0]=3 12 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 HR139944 [1,0,0,0,0,0|1,1,0]=3 13 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 HR134118 [1,0,0,0,0,0|0,0,2]=3 14 B13R1.45 O=C([O-])CNC(=O)C1=CC=CC=C1 HR101664 [1,0,0,0,0,0|1,0,1]=3 15 B13R1.674 CCCCC(=O)C1=C(C)C=CC=C1 HR110780 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.674 CCCOC(=O)C1=CC=CC=C1O HR133061 [1,0,0,0,0,0|2,0,1]=4 17 B13R1.674 O=C(OCCO)C1=CC=CC=C1O HR138380 [1,0,0,0,0,0|1,0,1]=3 18 B15R1.5793 NC1=C(C(=O)CC(N)C(=O)O)C=CC=C1 HR139363 [0,1,0,0,0,0|1,0,0]=2 19 B15R1.5793 Nc1ccccc1C(=O)CC(N)C(=O)O HR113570 [0,1,0,0,0,0|1,0,0]=2 20 B15R1.5793 Nc1ccccc1C(=O)CC(N)C(=O)O HR113885 [0,1,0,0,0,0|1,0,0]=2 21 B15R1.5793 Nc1ccccc1C(=O)CC(N)C(=O)O HR139451 [0,1,0,0,0,0|1,0,0]=2 22 B15R1.5822 CC(=O)OCC(=O)C1=C(F)C=C(F)C=C1 HR106468 [0,1,0,0,0,0|3,0,0]=4 23 B15R1.5822 O=C(O)CCC(=O)C1=C(F)C=C(F)C=C1 HR143030 [0,1,0,0,0,0|1,0,0]=2 24 B15R2.6 O=C(O)CCC1=CNC2=CC=CC=C12 HR125980 [0,0,0,1,0,0|2,0,0]=3 25 B15R2.6 O=C(O)CCC1=CNC2=NC=CC=C12 HR150061 [0,0,0,1,0,0|3,0,0]=4 26 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 HR125841 [0,0,0,1,0,0|0,0,2]=3 27 B13R1.201 CC(=O)CC(=O)C1=C(O)C=CC=C1 HR141768 [0,0,0,0,1,0|1,0,0]=2 28 B13R1.201 CC1=C(C(N)CC(=O)O)C=CC=C1 HR147115 [0,0,0,0,1,0|2,0,1]=4 29 B13R1.201 NC(CC(=O)O)C1=C(Cl)C=CC=C1 HR142303 [0,0,0,0,1,0|2,0,1]=4 30 B13R1.201 NC(CC(=O)O)C1=C(F)C=CC=C1 HR105911 [0,0,0,0,1,0|2,0,1]=4 31 B13R1.201 NC(CC(=O)O)C1=C(F)C=CC=C1 HR106227 [0,0,0,0,1,0|2,0,1]=4 32 B13R1.201 NC(CC(=O)O)C1=C(F)C=CC=C1 HR121240 [0,0,0,0,1,0|2,0,1]=4 33 B13R1.201 O=C(O)CC(=O)C1=C(Cl)C=CC=C1 HR113872 [0,0,0,0,1,0|1,0,0]=2 34 B15R1.8019 CC(C)CCOC(=O)C1=C(O)C=CC=C1 HR135014 [0,0,0,0,0,1|2,0,1]=4 35 B12R1.30 CCCCC(=O)C1=CC=CC=C1 HR134818 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.30 O=C(CCCO)C1=CC=CC=C1 HR129432 [2,0,0,0,0,0|0,0,1]=3 37 B12R1.252 CC(=O)CCCC1=CC=CC=C1 HR146298 [2,0,0,0,0,0|1,0,1]=4 38 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 HR115794 [2,0,0,0,0,0|1,0,1]=4 39 B12R1.252 O=C(O)CCCC1=CC=CC=C1 HR124591 [2,0,0,0,0,0|0,0,1]=3 40 B12R1.252 O=C(O)CCCC1=NC=CC=C1 HR118250 [2,0,0,0,0,0|1,0,1]=4 41 B12R1.252 O=C(O)CCSC1=CC=CC=C1 HR111900 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.252 O=C(O)CNCC1=CC=CC=C1 HR111018 [2,0,0,0,0,0|1,0,1]=4 43 B12R1.252 O=C(O)CNCC1=CC=CC=C1 HR132729 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.252 O=C(O)COCC1=CC=CC=C1 HR136190 [2,0,0,0,0,0|1,0,1]=4 45 B12R1.252 O=C(O)CSCC1=CC=CC=C1 HR141291 [2,0,0,0,0,0|1,0,1]=4 46 B12R1.308 CCCC(=O)c1ccccc1O HR131433 [2,0,0,0,0,0|0,0,1]=3 47 B12R1.308 CCOC(=O)C1=C(O)C=CC=C1 HR133809 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.308 N#CCC(=O)C1=C(O)C=CC=C1 HR113874 [2,0,0,0,0,0|1,0,1]=4 49 B12R1.308 O=C(CCCl)C1=C(Cl)C=CC=C1 HR112241 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.308 O=C(NCO)C1=C(O)C=CC=C1 HR110287 [2,0,0,0,0,0|1,0,0]=3 51 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 HR106134 [1,1,0,0,0,0|1,0,0]=3 52 B14R1.415 CC(CC(=O)C1=CC=CC=C1)C(=O)O HR140697 [1,1,0,0,0,0|0,0,0]=2 53 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O HR139255 [1,1,0,0,0,0|1,0,0]=3 54 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O HR140331 [1,1,0,0,0,0|1,0,0]=3 55 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O HR142953 [1,1,0,0,0,0|1,0,0]=3 56 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 HR32628 [1,1,0,0,0,0|0,0,0]=2 57 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 HR34179 [1,1,0,0,0,0|1,0,0]=3 58 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 HR104195 [1,1,0,0,0,0|0,0,0]=2 59 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 HR140235 [1,1,0,0,0,0|0,0,0]=2 60 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 HR136300 [1,1,0,0,0,0|0,0,0]=2 61 B14R1.813 O=C(O)CCP(=O)(O)C1=CC=CC=C1 HR13728 [1,1,0,0,0,0|1,0,0]=3 62 B14R1.813 O=C(O)CCS(=O)(=O)C1=CC=CC=C1 HR139205 [1,1,0,0,0,0|1,0,0]=3 63 B14R1.161 NC(CCC1=C(O)C=CC=C1)C(=O)O HR33745 [1,1,0,0,0,0|0,0,1]=3 64 B14R1.918 O=C(NCCO)C1=C(O)C=CC(O)=C1 HR142391 [1,1,0,0,0,0|1,0,1]=4 65 B14R1.1035 CCCCOC(=O)C1=CC=CC=C1O HR125171 [1,1,0,0,0,0|1,0,1]=4 66 B14R1.2523 O=C(NCCO)C1=C(O)C=C(O)C=C1 HR131770 [1,1,0,0,0,0|1,0,1]=4 67 B14R1.840 COC1=C(C(N)CC(=O)O)C=CC=C1 HR121013 [0,1,0,0,1,0|1,0,1]=4 68 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 HR139534 [1,0,0,1,0,0|1,0,0]=3 69 B14R2.25733 CC(=O)N1CC(=O)C2=CC=CC=C21 HR134936 [1,0,0,1,0,0|2,0,0]=4 70 B14R2.25733 O=C1CC(C(=O)O)C2=CC=CC=C12 HR115679 [1,0,0,1,0,0|0,0,0]=2 71 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 HR30097 [1,0,0,1,0,0|1,0,1]=4 72 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)O1 HR121171 [1,0,0,1,0,0|1,0,1]=4 73 B14R2.768 O=C(O)CC1CC2=CC=CC=C2C1 HR107863 [1,0,0,1,0,0|1,0,1]=4 74 B14R2.781 CC(=O)C1COC2=C(C=CC=C2)O1 HR104935 [1,0,0,1,0,0|2,0,0]=4 75 B14R2.781 O=C(Cl)C1COC2=C(C=CC=C2)O1 HR108785 [1,0,0,1,0,0|2,0,0]=4 76 B14R2.781 O=C(O)C1CCC2=CC=CC=C2N1 HR139635 [1,0,0,1,0,0|1,0,1]=4 77 B14R2.781 O=C(O)C1CCC2=CC=CC=C2N1 HR154973 [1,0,0,1,0,0|1,0,1]=4 78 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 HR121745 [1,0,0,1,0,0|1,0,0]=3 79 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 HR125586 [1,0,0,1,0,0|1,0,0]=3 80 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 HR125843 [1,0,0,1,0,0|1,0,0]=3 81 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 HR138592 [1,0,0,1,0,0|1,0,0]=3 82 B14R2.5443 CC1=C(C2CC2C(=O)O)C=CC=C1 HR116626 [1,0,0,1,0,0|1,0,1]=4 83 B14R2.8051 O=C1C=CC(=O)C2=C1C=CC=C2O HR101847 [1,0,0,1,0,0|0,0,2]=4 84 B14R2.2 O=C(O)CC1=C2C=CC=CC2=NN1 HR116851 [0,0,0,1,1,0|2,0,0]=4 85 B14R2.2 O=C(O)CC1=CNC2=CC=CC=C12 HR121052 [0,0,0,1,1,0|2,0,0]=4 86 B14R2.2 O=C(O)CC1=CNC2=CC=CC=C12 HR123883 [0,0,0,1,1,0|2,0,0]=4 87 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 HR101711 [0,0,0,1,1,0|1,0,0]=3 88 B14R2.2 O=C(O)CC1=NOC2=C1C=CC=C2 HR134095 [0,0,0,1,1,0|1,0,0]=3 89 B14R2.450 CC1=C(C(=O)O)OC2=C1C=CC=C2 HR108974 [0,0,0,1,1,0|1,0,1]=4 90 B16R2.3989 O=C(O)CC1NC2=CC=CC=C2NC1=O HR147130 [0,0,0,1,0,1|1,0,0]=3 91 B16R2.36 O=C(O)CCCC1=CNC2=CC=CC=C12 HR124395 [0,0,0,1,0,1|2,0,0]=4 92 B16R2.16183 O=C(O)CN1C(=O)c2ccccc2C1=O HR126077 [0,1,0,1,0,0|1,0,1]=4 93 B16R2.12 NC(CC1=CNC2=CC=CC=C12)C(=O)O HR104230 [0,1,0,1,0,0|2,0,0]=4 94 B16R2.12 NC(CC1=CNC2=CC=CC=C12)C(=O)O HR133879 [0,1,0,1,0,0|2,0,0]=4 95 B16R2.12 NC(CC1=CNC2=CC=CC=C12)C(=O)O HR134419 [0,1,0,1,0,0|2,0,0]=4 96 B16R2.12 NC(CC1=CNC2=CC=CC=C12)C(=O)O HR135739 [0,1,0,1,0,0|2,0,0]=4 97 B16R2.12 NC(CC1=CSC2=C1C=CC=C2)C(=O)O HR126422 [0,1,0,1,0,0|1,1,0]=4 98 B16R2.12 NC(CC1=CSC2=C1C=CC=C2)C(=O)O HR126684 [0,1,0,1,0,0|1,1,0]=4 99 B16R2.15551 O=C(O)CCC1=CNC2=CC=C(Br)C=C12 HR144576 [0,1,0,1,0,0|2,0,0]=4 100 B16R2.23501 O=C(O)C1=CC(=O)C2=CC(F)=CC=C2O1 HR143323 [0,1,0,1,0,0|0,0,2]=4 101 B16R2.23501 O=C1CC(C(=O)O)OC2=CC=C(F)C=C12 HR139535 [0,1,0,1,0,0|0,0,0]=2 102 B12R1.54 O=C(O)CCC(=O)[C-]1C=CC=C1 HR126535 [1,0,0,0,1,0|0,0,1]=3 103 B12R1.54 O=C(O)CNC(=O)C1=CC=CS1 HR120855 [1,0,0,0,1,0|2,0,0]=4 104 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HR134134 [1,0,0,0,1,0|1,0,0]=3 105 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 HR100565 [1,0,0,0,1,0|1,0,1]=4 106 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 HR119163 [1,0,0,0,1,0|1,0,1]=4 107 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR115997 [1,0,0,0,1,0|1,0,1]=4 108 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR123753 [1,0,0,0,1,0|1,0,1]=4 109 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR137732 [1,0,0,0,1,0|1,0,1]=4 110 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR142848 [1,0,0,0,1,0|1,0,1]=4 111 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR143556 [1,0,0,0,1,0|1,0,1]=4 112 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HR5925 [1,0,0,0,1,0|1,0,1]=4 113 B12R1.107 NC(CC(=O)O)c1ccccc1 HR136713 [1,0,0,0,1,0|1,0,1]=4 114 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 HR137213 [1,0,0,0,1,0|1,0,1]=4 115 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 HR140161 [1,0,0,0,1,0|1,0,1]=4 116 B12R1.107 O=C(O)CC(=O)C1=CC=CC=C1 HR114800 [1,0,0,0,1,0|0,0,0]=2 117 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 HR147359 [1,0,0,0,1,0|0,0,2]=4 118 B12R1.125 CC1=C(CCC(=O)O)C=CC=C1 HR117889 [1,0,0,0,1,0|1,0,0]=3 119 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 HR135525 [1,0,0,0,1,0|1,0,1]=4 120 B12R1.125 O=C(Cl)CCC1=C(F)C=CC=C1 HR100901 [1,0,0,0,1,0|2,0,0]=4 121 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 HR131976 [1,0,0,0,1,0|1,0,0]=3 122 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 HR138907 [1,0,0,0,1,0|1,0,0]=3 123 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 HR125640 [1,0,0,0,1,0|1,0,0]=3 124 B12R1.125 O=C(O)CCC1=C(O)C=CC=C1 HR101173 [1,0,0,0,1,0|0,0,0]=2 125 B12R1.125 O=C(O)CCN1C=CC=CC1=O HR118042 [1,0,0,0,1,0|1,0,1]=4 126 B12R1.125 O=C(O)CNc1ccccc1Cl HR101785 [1,0,0,0,1,0|2,0,0]=4 127 B12R1.125 O=C(O)COC1=C(Br)C=CC=C1 HR100216 [1,0,0,0,1,0|2,0,0]=4 128 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 HR128733 [1,0,0,0,1,0|2,0,0]=4 129 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 HR128542 [1,0,0,0,1,0|1,0,1]=4 130 B12R1.125 O=C(O)\C=C\C1=C(Br)C=CC=C1 HR141211 [1,0,0,0,1,0|1,0,1]=4 131 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 HR125070 [1,0,0,0,1,0|1,0,1]=4 132 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 HR124795 [1,0,0,0,1,0|1,0,1]=4 133 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 HR137360 [1,0,0,0,1,0|0,0,1]=3 134 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O HR142651 [1,0,0,0,1,0|0,0,1]=3 135 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 HR134785 [1,0,0,0,0,1|0,0,0]=2