0 B13R1.718 CCC(=O)OCCc1ccccc1 B21283 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.8 CC#CCCCc1ccccc1 B20019 [1,0,0,0,0,0|1,0,1]=3 2 B12R1.8 CCCCCCc1ccccc1 A12821 [1,0,0,0,0,0|1,0,1]=3 3 B12R1.8 CCCCCCc1ccccn1 A12772 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.8 CCCCCCc1cccnc1 B21775 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.8 CCCCNCc1ccccc1 A17851 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.8 CCCCOCc1ccccc1 L11747 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.8 c1ccc(cc1)CCCCCCl L08707 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.8 c1ccc(cc1)CCCCCO L12070 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.8 c1ccc(cc1)CCCN=C=S L10931 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.252 CC(=O)CSCc1ccccc1 L03814 [1,0,0,0,0,0|1,0,0]=2 11 B12R1.252 CC(=O)OCCc1ccccc1 B21238 [1,0,0,0,0,0|1,0,0]=2 12 B12R1.252 CC(CNCc1ccccc1)O H50329 [1,0,0,0,0,0|1,0,2]=4 13 B12R1.252 C[C@@H](COCc1ccccc1)O H60523 [1,0,0,0,0,0|1,0,2]=4 14 B12R1.252 c1ccc(cc1)CCCC(=O)Cl H50388 [1,0,0,0,0,0|1,0,0]=2 15 B12R1.252 c1ccc(cc1)CCCC(=O)O A18115 [1,0,0,0,0,0|0,0,0]=1 16 B12R1.252 c1ccc(cc1)CCNC(=S)N L10520 [1,0,0,0,0,0|2,1,0]=4 17 B12R1.252 c1ccc(cc1)CNCC(=O)O L15200 [1,0,0,0,0,0|1,0,0]=2 18 B12R1.252 c1ccc(cc1)CNCC(=O)O L15368 [1,0,0,0,0,0|1,0,0]=2 19 B12R1.252 c1ccc(cc1)COCC(=O)Cl L14337 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.252 c1ccc(cc1)COCC(=O)O H54581 [1,0,0,0,0,0|1,0,0]=2 21 B12R1.252 c1ccc(cc1)CSCC(=O)O A18698 [1,0,0,0,0,0|1,0,0]=2 22 B12R1.252 c1ccc(cc1)OCCC(=O)O A17842 [1,0,0,0,0,0|1,0,0]=2 23 B14R1.163 COC(=O)CCC(=O)c1ccccc1 B20435 [0,1,0,0,0,0|0,0,1]=2 24 B14R1.520 CCOC(=O)CCOc1ccccc1 L07606 [0,1,0,0,0,0|1,0,0]=2 25 B14R1.520 CCOC(=O)CNCc1ccccc1 L15496 [0,1,0,0,0,0|1,0,0]=2 26 B14R1.546 COC(COCc1ccccc1)OC L08651 [0,1,0,0,0,0|1,0,2]=4 27 B14R2.19 c1ccc(cc1)CN2CCC(=O)C2 A13426 [0,0,0,1,0,0|2,0,0]=3 28 B14R2.19 c1ccc(cc1)C[C@@H]2COC(=O)N2 A16770 [0,0,0,1,0,0|1,0,0]=2 29 B14R2.19 c1ccc(cc1)C[C@H]2COC(=O)N2 A18236 [0,0,0,1,0,0|1,0,0]=2 30 B14R2.68 c1ccc(cc1)C2CCC(=O)CC2 L08614 [0,0,0,1,0,0|1,0,0]=2 31 B14R2.95 COC(=O)c1c[nH]c2c1cccc2 L14516 [0,0,0,1,0,0|1,0,2]=4 32 B14R2.4514 CN1[C@@H](CCC1=O)c2cccnc2 L11873 [0,0,0,1,0,0|2,0,0]=3 33 B12R1.27 C=CC(=O)NCc1ccccc1 L11450 [0,0,0,0,1,0|2,0,1]=4 34 B12R1.27 C=CC(=O)OCc1ccccc1 43204 [0,0,0,0,1,0|2,0,1]=4 35 B12R1.27 CCC(=O)OCc1ccccc1 B23186 [0,0,0,0,1,0|2,0,0]=3 36 B12R1.27 COC(=O)C#Cc1ccccc1 B24587 [0,0,0,0,1,0|0,0,2]=3 37 B12R1.27 COC(=O)CCc1ccccc1 L05310 [0,0,0,0,1,0|0,0,0]=1 38 B12R1.27 COC(=O)CCc1cccnc1 L14590 [0,0,0,0,1,0|1,0,0]=2 39 B12R1.27 COC(=O)CSc1ccccc1 L12649 [0,0,0,0,1,0|1,0,0]=2 40 B12R1.27 COC(=O)\C=C\c1ccccc1 A15975 [0,0,0,0,1,0|0,0,2]=3 41 B12R1.27 c1ccc(cc1)COC(=O)CBr A17630 [0,0,0,0,1,0|3,0,0]=4 42 B12R1.27 c1ccc(cc1)COC(=O)CN H50247 [0,0,0,0,1,0|3,0,0]=4 43 B12R1.27 c1ccc(cc1)COC(=O)CN H56016 [0,0,0,0,1,0|3,0,0]=4 44 B12R1.27 c1ccc(cc1)COC(=O)NN A13005 [0,0,0,0,1,0|3,0,0]=4 45 B12R1.27 c1ccc(cc1)COC(=O)NO L13175 [0,0,0,0,1,0|3,0,0]=4 46 B12R1.477 COC(=O)CSCc1ccco1 B22717 [0,0,0,0,1,0|2,0,0]=3 47 B14R1.716 C=CC(=O)OCCOc1ccccc1 L12120 [0,0,0,0,0,1|2,0,1]=4 48 B14R1.716 CCC(=O)OC\C=C\c1ccccc1 B21142 [0,0,0,0,0,1|1,0,2]=4 49 B11R1.28 C#CCCCc1ccccc1 L11608 [2,0,0,0,0,0|0,0,2]=4 50 B11R1.28 CCCCCc1ccccc1 A15734 [2,0,0,0,0,0|0,0,1]=3 51 B11R1.28 CCCCCc1ccccn1 B22125 [2,0,0,0,0,0|1,0,1]=4 52 B11R1.28 CCCCNc1ccccc1 B24180 [2,0,0,0,0,0|1,0,1]=4 53 B11R1.28 CCCCOc1ccccc1 L04703 [2,0,0,0,0,0|1,0,1]=4 54 B11R1.28 CNCCOc1ccccc1 H50258 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.28 COCCSc1ccccc1 L10464 [2,0,0,0,0,0|1,0,0]=3 56 B11R1.28 c1ccc(cc1)CCCC#N L01638 [2,0,0,0,0,0|1,0,1]=4 57 B11R1.28 c1ccc(cc1)CCCCBr B25237 [2,0,0,0,0,0|1,0,1]=4 58 B11R1.28 c1ccc(cc1)CCCCCl A11753 [2,0,0,0,0,0|1,0,1]=4 59 B11R1.28 c1ccc(cc1)CCCCN L02982 [2,0,0,0,0,0|1,0,1]=4 60 B11R1.28 c1ccc(cc1)CCCCO A13433 [2,0,0,0,0,0|0,0,1]=3 61 B11R1.28 c1ccc(cc1)CNCCO A16866 [2,0,0,0,0,0|1,0,1]=4 62 B11R1.28 c1ccc(cc1)CSCCO L12274 [2,0,0,0,0,0|1,0,1]=4 63 B13R1.6 CCCCCCc1cccc(c1)Br H26063 [1,1,0,0,0,0|1,0,1]=4 64 B13R1.9 CCCCCCc1ccc(cc1)Br A15918 [1,1,0,0,0,0|1,0,1]=4 65 B13R1.9 CCCCCCc1ccc(cc1)I H26878 [1,1,0,0,0,0|1,0,1]=4 66 B13R1.9 CCCCCCc1ccc(cc1)N H26297 [1,1,0,0,0,0|1,0,1]=4 67 B13R1.28 CCCCCCCc1ccccc1 A12969 [1,1,0,0,0,0|1,0,1]=4 68 B13R1.28 CCCCCCNc1ccccc1 H55524 [1,1,0,0,0,0|1,0,1]=4 69 B13R1.28 c1ccc(cc1)CCCCCCBr L14568 [1,1,0,0,0,0|1,0,1]=4 70 B13R1.28 c1ccc(cc1)CCCCCCCl L08949 [1,1,0,0,0,0|1,0,1]=4 71 B13R1.28 c1ccc(cc1)CCCCCCO L10301 [1,1,0,0,0,0|1,0,1]=4 72 B13R1.337 CC(=O)OCCCc1ccccc1 B20878 [1,1,0,0,0,0|2,0,0]=4 73 B13R1.45 CC(=O)CCC(=O)c1ccccc1 L13151 [1,1,0,0,0,0|0,0,1]=3 74 B13R1.45 CC(=O)OCC(=O)c1ccccc1 L15652 [1,1,0,0,0,0|1,0,1]=4 75 B13R1.45 c1ccc(cc1)C(=O)CCC(=O)O A16636 [1,1,0,0,0,0|0,0,1]=3 76 B13R1.45 c1ccc(cc1)C(=O)NCC(=O)O A12690 [1,1,0,0,0,0|1,0,1]=4 77 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 A17534 [1,1,0,0,0,0|1,0,1]=4 78 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 L19599 [1,1,0,0,0,0|1,0,1]=4 79 B13R1.351 C[C@H](C(=O)O)OCc1ccccc1 L17205 [1,1,0,0,0,0|1,0,0]=3 80 B13R1.351 c1ccc(cc1)CC[C@@H](C(=O)O)N H27295 [1,1,0,0,0,0|0,0,0]=2 81 B13R1.351 c1ccc(cc1)CC[C@H](C(=O)O)N H27629 [1,1,0,0,0,0|0,0,0]=2 82 B13R1.351 c1ccc(cc1)CC[C@H](C(=O)O)O H52804 [1,1,0,0,0,0|0,0,0]=2 83 B13R1.351 c1ccc(cc1)SC[C@@H](C(=O)O)N H55031 [1,1,0,0,0,0|1,0,0]=3 84 B13R1.513 Cc1ccc(cc1)CCCC(=O)O A14680 [1,1,0,0,0,0|0,0,0]=2 85 B13R1.513 c1cc(ccc1CCCC(=O)O)F H26035 [1,1,0,0,0,0|0,0,0]=2 86 B13R1.513 c1cc(ccc1SCCC(=O)O)Br H31609 [1,1,0,0,0,0|1,0,0]=3 87 B13R1.14 COC(=O)CCc1ccc(cc1)Br H61546 [0,1,0,0,1,0|0,0,0]=2 88 B13R1.14 COC(=O)CCc1ccc(cc1)O H64255 [0,1,0,0,1,0|0,0,0]=2 89 B13R1.14 COC(=O)\C=C\c1ccc(cc1)Cl A17071 [0,1,0,0,1,0|0,0,2]=4 90 B13R1.135 COC(=O)C(Cc1ccccc1)N A12758 [0,1,0,0,1,0|0,0,0]=2 91 B13R1.135 COC(=O)[C@@H](Cc1ccccc1)N H25920 [0,1,0,0,1,0|0,0,0]=2 92 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N A11455 [0,1,0,0,1,0|0,0,0]=2 93 B13R1.528 COC(=O)CCc1ccccc1Br H61342 [0,1,0,0,1,0|0,0,0]=2 94 B13R1.528 COC(=O)CCc1ccccc1O A12219 [0,1,0,0,1,0|0,0,0]=2 95 B15R1.741 COC(=O)CC(=O)OCc1ccccc1 H59140 [0,1,0,0,0,1|0,0,1]=3 96 B15R1.778 CCOC(=O)CCNCc1ccccc1 L17652 [0,1,0,0,0,1|0,0,0]=2 97 B15R1.89 CCOC(=O)CCN(C)c1ccccc1 H61615 [0,2,0,0,0,0|1,0,0]=3 98 B15R1.89 CCOC(=O)CNC(=O)c1ccccc1 B24765 [0,2,0,0,0,0|1,0,1]=4 99 B15R1.157 c1ccc(cc1)CCNC(=O)CCCCl H59290 [0,2,0,0,0,0|2,0,0]=4 100 B15R1.826 CCOC(=O)C(=O)CCc1ccccc1 B20148 [0,2,0,0,0,0|0,0,1]=3 101 B15R1.826 CCOC(=O)[C@@H](CCc1ccccc1)O H61507 [0,2,0,0,0,0|0,0,0]=2 102 B15R1.826 CCOC(=O)[C@H](CCc1ccccc1)N H65425 [0,2,0,0,0,0|0,0,0]=2 103 B13R2.3 c1ccc(cc1)C2CCCCC2 A16320 [1,0,0,1,0,0|1,0,1]=4 104 B13R2.3 c1ccc(cc1)C2CCNCC2 H66389 [1,0,0,1,0,0|2,0,0]=4 105 B13R2.64 c1ccc(cc1)CN2CC=CC2 L19496 [1,0,0,1,0,0|2,0,0]=4 106 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 L14033 [1,0,0,1,0,0|1,0,1]=4 107 B13R2.2382 c1ccc(cc1)COC[C@H]2CO2 L13980 [1,0,0,1,0,0|1,0,1]=4 108 B13R2.10 c1ccc(cc1)C2=NCC(=O)O2 L00194 [1,0,0,1,0,0|1,0,1]=4 109 B13R2.10 c1ccc(cc1)C2CCC(=O)O2 B24364 [1,0,0,1,0,0|0,0,0]=2 110 B13R2.10 c1ccc(cc1)N2CCC(=O)N2 A12089 [1,0,0,1,0,0|2,0,0]=4 111 B13R2.10 c1ccc(cc1)[C@@H]2COC(=O)N2 H27171 [1,0,0,1,0,0|2,0,0]=4 112 B13R2.10 c1ccc(cc1)[C@H]2COC(=O)N2 H27306 [1,0,0,1,0,0|2,0,0]=4 113 B13R2.72 c1ccc2c(c1)CC=C2C(=O)O H34344 [1,0,0,1,0,0|0,0,2]=4 114 B13R2.163 c1ccc2c(c1)CCCC(=O)N2 H63576 [1,0,0,1,0,0|1,0,0]=3 115 B13R2.32 CN1c2ccccc2OCC1=O H27196 [0,0,0,1,1,0|2,0,0]=4 116 B15R2.29 c1ccc(cc1)CN2CCC(=O)CC2 A12390 [0,0,0,1,0,1|1,0,0]=3 117 B15R2.3 c1cc(ccc1C2CCC(=O)CC2)O H55767 [0,1,0,1,0,0|1,0,0]=3 118 B15R2.98 c1cc(ccc1C[C@H]2COC(=O)N2)N H56017 [0,1,0,1,0,0|1,0,0]=3 119 B15R2.31 c1ccc(cc1)CN2CCCC(=O)C2 A12849 [0,1,0,1,0,0|2,0,0]=4 120 B15R2.31 c1ccc(cc1)CN2CCNC(=O)C2 H55072 [0,1,0,1,0,0|2,0,0]=4 121 B15R2.1342 CCOC(=O)C1C(O1)c2ccccc2 B22990 [0,1,0,1,0,0|1,0,0]=3 122 B15R2.19393 COC(=O)C1c2ccccc2CC1=O H57535 [0,1,0,1,0,0|0,0,1]=3 123 B11R1.91 B(CCc1ccccc1)(O)O H52502 [1,0,0,0,1,0|1,0,1]=4 124 B11R1.91 CC(=C)COc1ccccc1 B22369 [1,0,0,0,1,0|2,0,0]=4 125 B11R1.91 CC(=N)SCc1ccccc1 H51844 [1,0,0,0,1,0|2,0,0]=4 126 B11R1.91 CC(=O)C#Cc1ccccc1 H27826 [1,0,0,0,1,0|0,0,2]=4 127 B11R1.91 CC(=O)CCc1ccccc1 B22777 [1,0,0,0,1,0|0,0,0]=2 128 B11R1.91 CC(=O)NCc1cccnc1 B21862 [1,0,0,0,1,0|2,0,0]=4 129 B11R1.91 CC(=O)NNc1ccccc1 A14446 [1,0,0,0,1,0|2,0,0]=4 130 B11R1.91 CC(=O)OCc1ccccc1 B23472 [1,0,0,0,1,0|1,0,0]=3 131 B11R1.91 CC(=O)\C=C\c1ccccc1 A13537 [1,0,0,0,1,0|0,0,2]=4 132 B11R1.91 CC(CCc1ccccc1)N A18804 [1,0,0,0,1,0|1,0,1]=4 133 B11R1.91 CC(CCc1ccccc1)O L05970 [1,0,0,0,1,0|0,0,2]=4 134 B11R1.91 C[C@@H](CCc1ccccc1)O L18886 [1,0,0,0,1,0|0,0,2]=4 135 B11R1.91 C[C@H](CCc1ccccc1)O L18885 [1,0,0,0,1,0|0,0,2]=4 136 B11R1.91 c1cc(cnc1)CCC(=O)O H58619 [1,0,0,0,1,0|1,0,0]=3 137 B11R1.91 c1cc(cnc1)CCC(=O)O L14007 [1,0,0,0,1,0|1,0,0]=3 138 B11R1.91 c1cc(cnc1)OCC(=O)O B24780 [1,0,0,0,1,0|2,0,0]=4 139 B11R1.91 c1ccc(cc1)C#CC(=O)O A15163 [1,0,0,0,1,0|0,0,2]=4 140 B11R1.91 c1ccc(cc1)CCC(=O)Cl A10860 [1,0,0,0,1,0|1,0,0]=3 141 B11R1.91 c1ccc(cc1)CCC(=O)O A14908 [1,0,0,0,1,0|0,0,0]=2 142 B11R1.91 c1ccc(cc1)CNC(=O)N B24945 [1,0,0,0,1,0|2,0,0]=4 143 B11R1.91 c1ccc(cc1)COC(=O)Cl A15682 [1,0,0,0,1,0|2,0,0]=4 144 B11R1.91 c1ccc(cc1)COC(=O)N A11569 [1,0,0,0,1,0|2,0,0]=4 145 B11R1.91 c1ccc(cc1)NCC(=O)O A14182 [1,0,0,0,1,0|1,0,0]=3 146 B11R1.91 c1ccc(cc1)OCC(=O)Cl A13761 [1,0,0,0,1,0|2,0,0]=4 147 B11R1.91 c1ccc(cc1)OCC(=O)N A14934 [1,0,0,0,1,0|2,0,0]=4 148 B11R1.91 c1ccc(cc1)OCC(=O)O A12541 [1,0,0,0,1,0|1,0,0]=3 149 B11R1.91 c1ccc(cc1)SCC(=O)O B22280 [1,0,0,0,1,0|1,0,0]=3 150 B11R1.91 c1ccc(cc1)\C=C\C(=O)O A13538 [1,0,0,0,1,0|0,0,2]=4 151 B11R1.91 c1cnccc1CCC(=O)O H58655 [1,0,0,0,1,0|1,0,0]=3 152 B11R1.91 c1cnccc1SCC(=O)O B21499 [1,0,0,0,1,0|2,0,0]=4 153 B11R1.172 CC(=O)CSCc1ccco1 B22724 [1,0,0,0,1,0|2,0,0]=4 154 B11R1.172 c1cc(sc1)CCCC(=O)O L07563 [1,0,0,0,1,0|1,0,0]=3 155 B11R1.40 CCC(=O)Nc1ccccc1 H31832 [0,0,0,0,2,0|2,0,0]=4 156 B11R1.40 COC(=O)Cc1ccccc1 A15537 [0,0,0,0,2,0|0,0,0]=2 157 B11R1.40 COC(=O)Nc1cccnc1 H63484 [0,0,0,0,2,0|2,0,0]=4 158 B11R1.40 COC(=O)Oc1ccccc1 B25232 [0,0,0,0,2,0|1,0,0]=3