0 B13R1.45 CC(=O)NCC(=O)C1=CC=CC=C1 HR112163 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 HR123231 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 HR143271 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.45 CC(C)COC(=O)C1=CC=CC=C1 HR115410 [0,0,0,0,0,0|0,0,0]=0 4 B13R1.45 CC(O)CCC(=O)C1=CC=CC=C1 HR136596 [0,0,0,0,0,0|2,0,0]=2 5 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 HR135069 [0,0,0,0,0,0|2,0,0]=2 6 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 HR142562 [0,0,0,0,0,0|2,0,0]=2 7 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 HR132440 [0,0,0,0,0,0|2,0,2]=4 8 B13R1.45 CN(C)\C=C\C(=O)C1=CC=CN=C1 HR126711 [0,0,0,0,0,0|3,0,1]=4 9 B13R1.45 CN(C)\C=C\C(=O)C1=CC=NC=C1 HR150969 [0,0,0,0,0,0|3,0,1]=4 10 B13R1.45 O=C(CCC(Cl)Cl)C1=CC=CC=C1 HR116696 [0,0,0,0,0,0|3,0,0]=3 11 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 HR123840 [0,0,0,0,0,0|3,0,1]=4 12 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 HR128914 [0,0,0,0,0,0|3,0,1]=4 13 B13R1.45 O=C([O-])CNC(=O)C1=CC=CC=C1 HR101664 [0,0,0,0,0,0|3,0,1]=4 14 B12R1.30 C#CCOC(=O)C1=CC=CC=C1 HR154538 [1,0,0,0,0,0|0,0,2]=3 15 B12R1.30 CCCCC(=O)C1=CC=CC=C1 HR134818 [1,0,0,0,0,0|1,0,0]=2 16 B12R1.30 CCCCC(O)C1=CC=CC=C1 HR142459 [1,0,0,0,0,0|1,0,2]=4 17 B12R1.30 CCCOC(=O)C1=CC=CC=C1 HR120887 [1,0,0,0,0,0|0,0,0]=1 18 B12R1.30 O=C(CCCO)C1=CC=CC=C1 HR129432 [1,0,0,0,0,0|2,0,0]=3 19 B12R1.30 O=C(NCCCl)C1=CC=CC=C1 HR143643 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.30 O=C(NCCO)C1=CN=CC=C1 HR147673 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.30 O=C(OCCBr)C1=CC=CC=C1 HR106956 [1,0,0,0,0,0|1,0,0]=2 22 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 HR118335 [1,0,0,0,0,0|1,0,0]=2 23 B12R1.252 CC(O)COCc1ccccc1 HR109733 [1,0,0,0,0,0|1,0,1]=3 24 B14R1.160 CC(C)COC(=O)C1=C(N)C=CC=C1 HR127044 [0,1,0,0,0,0|0,0,0]=1 25 B14R1.160 CC(C)COC(=O)C1=CC=CC=C1O HR124358 [0,1,0,0,0,0|0,0,0]=1 26 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 HR106134 [0,1,0,0,0,0|2,0,1]=4 27 B14R1.163 O=C(OCC(O)CO)C1=CC=CC=C1 APSA07214 [0,1,0,0,0,0|1,0,0]=2 28 B14R1.415 CC(C)C(=O)OC(C)C1=CC=CC=C1 HR107914 [0,1,0,0,0,0|1,0,2]=4 29 B14R1.417 CC(Cl)CC(Cl)C(=O)c1ccccc1 HR136013 [0,1,0,0,0,0|2,0,0]=3 30 B14R1.540 CC(C)C\C=C(\C=O)C1=CC=CC=C1 HR122652 [0,1,0,0,0,0|1,0,0]=2 31 B14R1.678 CC(C)COC(=O)C1=CC=C(O)C=C1 HR127747 [0,1,0,0,0,0|0,0,0]=1 32 B14R1.813 CC(O)CNS(=O)(=O)C1=CC=CC=C1 HR136338 [0,1,0,0,0,0|3,0,0]=4 33 B14R2.68 CN1CC=C(C2=CC=CC=C2)CC1 HR118111 [0,0,0,1,0,0|3,0,0]=4 34 B14R2.68 OC1COC(C2=CC=CC=C2)OC1 HR131713 [0,0,0,1,0,0|1,0,2]=4 35 B14R2.68 OC1COC(c2ccccc2)OC1 HR101517 [0,0,0,1,0,0|1,0,2]=4 36 B14R2.29285 CC1(C)CCC(=O)C2=CC=CC=C21 HR139823 [0,0,0,1,0,0|1,0,0]=2 37 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 HR23862 [0,0,0,0,1,0|3,0,0]=4 38 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HR134134 [0,0,0,0,1,0|1,0,1]=3 39 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 HR101162 [0,0,0,0,1,0|0,0,0]=1 40 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 HR147366 [0,0,0,0,1,0|1,0,1]=3 41 B12R1.107 CC(C)NC(C)c1ccccc1 HR104883 [0,0,0,0,1,0|2,0,1]=4 42 B12R1.107 CN(C)CC(N)c1ccccc1 HR106834 [0,0,0,0,1,0|2,0,1]=4 43 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 HR137213 [0,0,0,0,1,0|3,0,0]=4 44 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 HR140161 [0,0,0,0,1,0|3,0,0]=4 45 B12R1.107 O=C(O)CC(=O)C1=CC=CC=C1 HR114800 [0,0,0,0,1,0|2,0,1]=4 46 B14R1.420 CC(C)CCOC(=O)C1=CC=CC=C1 HR133921 [0,0,0,0,0,1|0,0,0]=1 47 B14R1.420 CN(C)CCOC(=O)C1=CC=CC=C1 HR136932 [0,0,0,0,0,1|1,0,0]=2 48 B14R1.423 CC(C)COC(=O)CC1=CC=CC=C1 HR132867 [0,0,0,0,0,1|0,0,0]=1 49 B11R1.16 C=COC(=O)C1=CC=CC=C1 HR140227 [2,0,0,0,0,0|0,0,2]=4 50 B11R1.16 CCCC(=O)C1=CC=CN=C1 HR33915 [2,0,0,0,0,0|1,0,0]=3 51 B11R1.16 CCCC(C)C1=CC=CC=C1 HR141702 [2,0,0,0,0,0|1,0,1]=4 52 B11R1.16 CCNC(=O)C1=CC=CC=C1 HR101895 [2,0,0,0,0,0|1,0,0]=3 53 B11R1.16 CCOC(=N)C1=CC=CC=C1 HR136304 [2,0,0,0,0,0|1,0,0]=3 54 B11R1.16 CCOC(=O)C1=CC=CC=C1 HR125048 [2,0,0,0,0,0|0,0,0]=2 55 B11R1.16 CCOC(=O)C1=CC=NC=C1 HR134517 [2,0,0,0,0,0|1,0,0]=3 56 B11R1.16 CCOC(=O)C1=CN=CC=C1 HR11727 [2,0,0,0,0,0|1,0,0]=3 57 B11R1.16 CCOC(=O)C1=CN=CN=C1 HR113110 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.16 CCOC(=O)C1=NC=CC=C1 HR128716 [2,0,0,0,0,0|1,0,0]=3 59 B11R1.16 CCOC(=O)C1=NC=NC=C1 HR132270 [2,0,0,0,0,0|2,0,0]=4 60 B11R1.16 CCO[P+](=O)C1=CC=CC=C1 HR103825 [2,0,0,0,0,0|1,0,0]=3 61 B11R1.16 CNCC(=O)C1=CC=CC=C1 HR112980 [2,0,0,0,0,0|1,0,0]=3 62 B11R1.16 COCC(=O)C1=CC=CC=C1 HR140919 [2,0,0,0,0,0|1,0,0]=3 63 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 HR118986 [2,0,0,0,0,0|0,0,2]=4 64 B11R1.16 N#CCC(=O)C1=CC=CC=C1 HR137993 [2,0,0,0,0,0|1,0,1]=4 65 B11R1.16 O=C(CCCl)C1=CC=CC=C1 HR130530 [2,0,0,0,0,0|1,0,0]=3 66 B11R1.16 O=C(CCF)C1=CC=CC=C1 HR132438 [2,0,0,0,0,0|1,0,0]=3 67 B11R1.16 O=C(CCO)C1=CC=CC=C1 HR126368 [2,0,0,0,0,0|1,0,0]=3 68 B11R1.16 O=C(NCO)C1=CC=CC=C1 HR123357 [2,0,0,0,0,0|2,0,0]=4 69 B11R1.16 O=C(OCCl)C1=CC=CC=C1 HR119720 [2,0,0,0,0,0|1,0,0]=3 70 B11R1.16 O=[P+](OCO)C1=CC=CC=C1 HR114544 [2,0,0,0,0,0|2,0,0]=4 71 B11R1.28 BrCCOCC1=CC=CC=C1 HR128662 [2,0,0,0,0,0|1,0,1]=4 72 B11R1.28 CCCCCC1=CC=CC=C1 HR16788 [2,0,0,0,0,0|1,0,1]=4 73 B11R1.28 CCCCCc1ccccc1 HR125033 [2,0,0,0,0,0|1,0,1]=4 74 B11R1.28 CCCCCc1ccccc1 HR144114 [2,0,0,0,0,0|1,0,1]=4 75 B11R1.28 CCCCOC1=CC=CC=C1 HR126122 [2,0,0,0,0,0|2,0,0]=4 76 B11R1.28 CCCNCC1=CC=CC=C1 HR116670 [2,0,0,0,0,0|1,0,1]=4 77 B11R1.28 NCCOCC1=CC=CC=C1 HR104976 [2,0,0,0,0,0|1,0,1]=4 78 B11R1.28 OCCOCC1=CC=CC=C1 HR1939 [2,0,0,0,0,0|1,0,1]=4 79 B13R1.11 CC(CO)NC(=O)C1=CC=CC=C1 HR117820 [1,1,0,0,0,0|2,0,0]=4 80 B13R1.17 CCCCC(=O)C1=CC=C(Br)C=C1 HR135047 [1,1,0,0,0,0|1,0,0]=3 81 B13R1.17 CCCCC(=O)C1=CC=C(Cl)C=C1 HR128059 [1,1,0,0,0,0|1,0,0]=3 82 B13R1.17 CCCCC(=O)c1ccc(C)cc1 HR113699 [1,1,0,0,0,0|1,0,0]=3 83 B13R1.17 CCCOC(=O)C1=CC=C(O)C=C1 HR132262 [1,1,0,0,0,0|0,0,0]=2 84 B13R1.17 CCCOC(=O)c1ccc([O-])cc1 HR133444 [1,1,0,0,0,0|0,0,0]=2 85 B13R1.17 NC1=CC=C(C(=O)NCCO)C=C1 HR126264 [1,1,0,0,0,0|2,0,0]=4 86 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 LUJB00403 [1,1,0,0,0,0|2,0,0]=4 87 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 LUSA05809 [1,1,0,0,0,0|2,0,0]=4 88 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 HR140038 [1,1,0,0,0,0|1,0,0]=3 89 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 HR126792 [1,1,0,0,0,0|0,0,0]=2 90 B13R1.24 CCCCOC(=O)c1cccnc1 HR113502 [1,1,0,0,0,0|1,0,0]=3 91 B13R1.24 NCCCCC(=O)c1cccnc1 HR119426 [1,1,0,0,0,0|2,0,0]=4 92 B13R1.47 CCCC(Br)C(=O)C1=CC=CC=C1 HR148811 [1,1,0,0,0,0|1,0,0]=3 93 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 HR109415 [1,1,0,0,0,0|2,0,0]=4 94 B13R1.674 CCCCC(=O)C1=C(C)C=CC=C1 HR110780 [1,1,0,0,0,0|1,0,0]=3 95 B13R1.674 CCCOC(=O)C1=CC=CC=C1O HR133061 [1,1,0,0,0,0|0,0,0]=2 96 B13R1.674 O=C(OCCO)C1=CC=CC=C1O HR138380 [1,1,0,0,0,0|1,0,0]=3 97 B13R1.348 CC(C)CC(=O)CC1=CC=CC=C1 HR134640 [1,1,0,0,0,0|1,0,1]=4 98 B13R1.351 CC(C)C(=O)OCC1=CC=CC=C1 HR131272 [1,1,0,0,0,0|0,0,2]=4 99 B13R1.718 CC(CBr)COCC1=CC=CC=C1 HR102771 [1,1,0,0,0,0|0,0,1]=3 100 B13R1.718 CC(CO)COCC1=CC=CC=C1 HR103083 [1,1,0,0,0,0|0,0,1]=3 101 B13R1.718 OCC(O)COCC1=CC=CC=C1 HR102120 [1,1,0,0,0,0|1,0,1]=4 102 B13R1.718 OCC(O)COCC1=CC=CC=C1 HR108202 [1,1,0,0,0,0|1,0,1]=4 103 B13R1.718 OCC(O)COCC1=CC=CC=C1 HR111326 [1,1,0,0,0,0|1,0,1]=4 104 B13R1.718 OCC(O)COCC1=CC=CC=C1 HR117448 [1,1,0,0,0,0|1,0,1]=4 105 B13R1.132 CC(C)NC(=O)C1=NC=C(Br)C=C1 HR152429 [0,1,0,0,1,0|2,0,0]=4 106 B13R1.132 CC(C)OC(=O)C1=CC=C(Cl)N=N1 HR147377 [0,1,0,0,1,0|2,0,0]=4 107 B13R1.132 CC(C)OC(=O)C1=CC=C(O)C=C1 HR122742 [0,1,0,0,1,0|0,0,0]=2 108 B13R1.147 CC(C)NC(=O)C1=CN=CC(Br)=C1 HR152813 [0,1,0,0,1,0|2,0,0]=4 109 B13R1.147 CC(C)NC(=O)C1=NC=CC(Cl)=C1 HR112999 [0,1,0,0,1,0|2,0,0]=4 110 B13R1.201 CC(=O)CC(=O)C1=C(O)C=CC=C1 HR141768 [0,1,0,0,1,0|1,0,1]=4 111 B13R1.201 CC(C)OC(=O)C1=C(N)C=CC=C1 HR146525 [0,1,0,0,1,0|0,0,0]=2 112 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1O HR130827 [0,1,0,0,1,0|0,0,0]=2 113 B13R1.347 CC(C)NS(=O)(=O)C1=CC=CC=C1 HR104473 [0,1,0,0,1,0|2,0,0]=4 114 B13R1.352 C=C(O[Si](C)(C)C)C1=CC=CC=C1 HR103626 [0,1,0,0,1,0|1,1,0]=4 115 B13R1.352 O=C(CC(F)(F)F)C1=CC=CC=C1 HR132935 [0,1,0,0,1,0|2,0,0]=4 116 B15R1.1076 CC(C)OC(=O)CC(=O)C1=CC=CC=C1 HR115138 [0,1,0,0,0,1|1,0,1]=4 117 B15R1.8019 CC(C)CCOC(=O)C1=C(O)C=CC=C1 HR135014 [0,1,0,0,0,1|0,0,0]=2 118 B15R1.9094 C[N+](C)(C)CCOC(=O)C1=CC=CC=C1 HR100521 [0,1,0,0,0,1|1,0,0]=3 119 B15R1.9094 C[N+](C)(C)CCOC(=O)c1ccccc1 HR100721 [0,1,0,0,0,1|1,0,0]=3 120 B15R1.3675 CC(C)C(=O)CC(=O)Nc1ccccc1 HR122211 [0,1,0,0,0,1|1,0,1]=4 121 B15R1.889 CC(C)NCC(=O)C1=CC(O)=C(O)C=C1 HR110917 [0,2,0,0,0,0|2,0,0]=4 122 B15R1.89 CCCC(O)CCC(=O)C1=CC=CC=C1 HR104757 [0,2,0,0,0,0|2,0,0]=4 123 B15R1.652 CCN(CC)CCC(=O)C1=CC=CC=C1 HR102780 [0,2,0,0,0,0|2,0,0]=4 124 B15R1.881 CC(C)C(=O)CC(=O)C1=CC=C(F)C=C1 HR110332 [0,2,0,0,0,0|1,0,1]=4 125 B15R1.892 CC1=CC=C(B(O)OCC(C)(C)C)C=C1 HR119228 [0,2,0,0,0,0|1,0,1]=4 126 B15R1.903 CC1=CC=C(S(=O)(=O)OCC(C)C)C=C1 HR145157 [0,2,0,0,0,0|1,0,0]=3 127 B13R2.3 C1=CC=C(B2OCCCO2)C=C1 HR153208 [1,0,0,1,0,0|1,0,1]=4 128 B13R2.3 C1=CC=C(C2=CCCCC2)C=C1 HR1894 [1,0,0,1,0,0|2,0,0]=4 129 B13R2.10 CC1COC(C2=CC=CC=C2)O1 HR125505 [1,0,0,1,0,0|0,0,2]=4 130 B13R2.371 CC1CCC(=O)C2=CC=CC=C21 HR107638 [1,0,0,1,0,0|1,0,0]=3 131 B13R2.371 O=C1CCC(O)C2=CC=CC=C12 HR108256 [1,0,0,1,0,0|2,0,0]=4 132 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 HR125755 [1,0,0,1,0,0|1,0,0]=3 133 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 HR110952 [1,0,0,1,0,0|2,0,0]=4 134 B13R2.5252 O=C1NCCCC2=C1C=CC=C2 HR109025 [1,0,0,1,0,0|1,0,0]=3 135 B13R2.5252 O=C1NCCNC2=C1C=CC=C2 HR147131 [1,0,0,1,0,0|2,0,0]=4 136 B13R2.5252 O=C1NCCOC2=C1C=CC=C2 HR144523 [1,0,0,1,0,0|2,0,0]=4 137 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 HR101008 [1,0,0,1,0,0|1,0,1]=4 138 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 HR22384 [1,0,0,1,0,0|1,0,1]=4 139 B13R2.2382 c1ccc(COCC2CO2)cc1 HR5849 [1,0,0,1,0,0|1,0,1]=4 140 B13R2.2382 c1ccc(COCC2CO2)cc1 HR5855 [1,0,0,1,0,0|1,0,1]=4 141 B13R2.3122 CC1(C)CCNC2=CC=CC=C21 HR116447 [1,0,0,1,0,0|2,0,0]=4 142 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 HR108671 [0,0,0,1,1,0|1,0,1]=4 143 B13R2.12159 CC1(C)CC(=O)C2=CC=CC=C21 HR106114 [0,0,0,1,1,0|0,0,0]=2 144 B13R2.12159 CC1(C)OB(O)C2=C1C=CC=C2 HR114805 [0,0,0,1,1,0|1,0,1]=4 145 B15R2.7494 CC1(C)CCC(=O)C2=CC(Br)=CC=C21 HR142052 [0,1,0,1,0,0|1,0,0]=3 146 B15R2.467 CC1(C)COB(C2=CC=CC=C2)OC1 HR141465 [0,1,0,1,0,0|1,0,1]=4 147 B11R1.91 CC(C)NCC1=CC=CC=C1 HR135682 [1,0,0,0,1,0|1,0,1]=4 148 B11R1.91 CC(N)CCC1=CC=CC=C1 HR100540 [1,0,0,0,1,0|1,0,1]=4 149 B11R1.91 CC(N)CCC1=CC=CC=C1 HR129379 [1,0,0,0,1,0|1,0,1]=4 150 B11R1.91 CC(O)CCC1=CC=CC=C1 HR142083 [1,0,0,0,1,0|1,0,1]=4 151 B11R1.91 CC(O)COC1=CC=CC=C1 HR135584 [1,0,0,0,1,0|1,0,0]=3 152 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 HR134536 [0,0,0,0,2,0|1,0,1]=4 153 B11R1.36 CC(Br)C(=O)C1=CC=CC=C1 HR33887 [0,0,0,0,2,0|1,0,0]=3 154 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 HR125557 [0,0,0,0,2,0|0,0,0]=2 155 B11R1.36 CC(C)C(O)C1=CC=CC=C1 HR139343 [0,0,0,0,2,0|0,0,2]=4 156 B11R1.36 CC(C)C(O)c1ccccc1 HR115029 [0,0,0,0,2,0|0,0,2]=4 157 B11R1.36 CC(Cl)C(=O)C1=CC=CC=C1 HR144028 [0,0,0,0,2,0|1,0,0]=3 158 B11R1.36 CC(F)C(=O)c1ccccc1 HR141801 [0,0,0,0,2,0|1,0,0]=3 159 B11R1.36 CC(O)C(=O)C1=CC=CC=C1 HR141694 [0,0,0,0,2,0|1,0,0]=3 160 B11R1.36 CN(C)C(=O)C1=CC=CC=C1 HR141486 [0,0,0,0,2,0|1,0,0]=3 161 B11R1.36 O=C(C1=CC=CC=C1)C(Cl)Cl HR128673 [0,0,0,0,2,0|2,0,0]=4 162 B13R1.44 C=CCOC(=O)CC1=CC=CC=C1 HR108706 [1,0,0,0,0,1|0,0,2]=4 163 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 HR101607 [1,0,0,0,0,1|0,0,0]=2 164 B15R1.1081 CC(C)CCOC(=O)CC1=CC=CC=C1 HR132320 [0,0,0,0,0,2|0,0,0]=2 165 B15R1.5919 CC(C)COC(=O)\C=C\C1=CC=CC=C1 HR133005 [0,0,0,0,0,2|0,0,0]=2