0 B14R1.1019 CCC(CC(=O)O)C1=CC=C(C=C1)C T135925 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Cl JRD0754 [1,0,0,0,0,0|2,0,1]=4 2 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br T135860 [1,0,0,0,0,0|0,1,0]=2 3 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Cl PH015633 [1,0,0,0,0,0|0,0,0]=1 4 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)O T135879 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.132 CC1=CC=C(C=C1)/C(=C/C(=O)O)/C L128317 [1,0,0,0,0,0|1,0,2]=4 6 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O S326283 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br BBO000769 [1,0,0,0,0,0|0,1,0]=2 8 B13R1.713 CC(=O)N[C@@H](CO)C1=CC=CC=C1 PH014391 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.713 CNC(CC(=O)O)C1=CC=CC=C1 PH015123 [1,0,0,0,0,0|2,0,0]=3 10 B15R1.625 CCCC(CC(=O)O)C1=CC=C(C=C1)Cl T135992 [0,1,0,0,0,0|1,0,0]=2 11 B15R1.922 CC1=CC=C(C=C1)C(CC(=O)O)C(C)C T135887 [0,1,0,0,0,0|2,0,0]=3 12 B15R1.922 NC1=CC=C(C=C1)C(CC(=O)O)C(=O)O CDS021450 [0,1,0,0,0,0|2,0,1]=4 13 B15R2.309 O=C1CC(C(=O)O1)C2=CC=C(C=C2)F CDS020399 [0,0,0,1,0,0|1,1,1]=4 14 B15R2.377 O=C(O)CC1=CNC2=C1C=CC(=C2)Cl CDS023042 [0,0,0,1,0,0|0,0,2]=3 15 B15R2.377 O=C(O)CC1=CNC2=C1C=CC(=C2)F CDS008881 [0,0,0,1,0,0|0,1,2]=4 16 B13R1.706 CC(=O)C(C#N)C1=CC=C(C=C1)Cl TMT00640 [0,0,0,0,1,0|1,0,2]=4 17 B13R1.706 CCC(C(=O)O)C1=CC=C(C=C1)Br CDS016280 [0,0,0,0,1,0|1,1,0]=3 18 B13R1.706 COC(C(=O)O)C1=CC=C(C=C1)C PH018590 [0,0,0,0,1,0|3,0,0]=4 19 B13R1.706 COC(C(=O)O)C1=CC=C(C=C1)Cl PH018559 [0,0,0,0,1,0|2,0,0]=3 20 B12R1.3 OCCC(CO)C1=CC=CC=C1 PH007446 [2,0,0,0,0,0|1,0,1]=4 21 B12R1.16 C=CCC(N)C1=CC=C(C=C1)F PH014951 [2,0,0,0,0,0|1,1,0]=4 22 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)O OTV000678 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [2,0,0,0,0,0|1,1,0]=4 28 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [2,0,0,0,0,0|0,0,2]=4 29 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [2,0,0,0,0,0|0,0,0]=2 30 B14R1.2 CCC1=CC=C(C=C1)C(C)CC(=O)O T135844 [1,1,0,0,0,0|1,0,0]=3 31 B14R1.2 CCC1=CC=C(C=C1)C(N)CC(=O)O KOB0038 [1,1,0,0,0,0|1,0,0]=3 32 B14R1.2 COC1=CC=C(C=C1)C(C)CC(=O)N PH003869 [1,1,0,0,0,0|2,0,0]=4 33 B14R1.2 COC1=CC=C(C=C1)C(C)CC(=O)O R594881 [1,1,0,0,0,0|1,0,0]=3 34 B14R1.2 COC1=CC=C(C=C1)C(C)CC(=O)O R595446 [1,1,0,0,0,0|1,0,0]=3 35 B14R1.2 N#CC1=CC=C(C=C1)C(N)CC(=O)O KOB0005 [1,1,0,0,0,0|1,0,0]=3 36 B14R1.685 CC1=C(C=C(C=C1)C(C)CC(=O)O)Br L128104 [1,1,0,0,0,0|1,0,0]=3 37 B14R1.685 NC(CC(=O)O)C1=CC(=C(C=C1)Cl)Cl BBO000722 [1,1,0,0,0,0|0,0,0]=2 38 B14R1.685 NC(CC(=O)O)C1=CC(=C(C=C1)Cl)Cl CDS006137 [1,1,0,0,0,0|0,0,0]=2 39 B14R1.694 CC(=O)CC(C)(C)C1=CC=C(C=C1)C S941557 [1,1,0,0,0,0|2,0,0]=4 40 B14R1.694 CC1=CC=C(C=C1)C(C)(C)CC(=O)O CDS010801 [1,1,0,0,0,0|1,0,0]=3 41 B14R1.6048 NC(CC(=O)O)C1=CC=C(C=C1Cl)Cl BBO000367 [1,1,0,0,0,0|0,0,0]=2 42 B14R1.3642 CCC(C)(CC(=O)O)C1=CC=CC=C1 S490261 [1,1,0,0,0,0|1,0,0]=3 43 B14R1.6455 CC(C)C(CC(=O)O)C1=CC=CC=C1 R244902 [1,1,0,0,0,0|1,0,0]=3 44 B14R1.1032 COC(C(=O)O)C1=CC=C(C(=C1)Cl)Cl S648701 [0,1,0,0,1,0|2,0,0]=4 45 B16R1.6926 CC(C)[C@@H](C1=CC=C(C=C1)O)[C@H](N)C(=O)O R410624 [0,2,0,0,0,0|2,0,0]=4 46 B16R1.1521 CCOC(=O)CC(C#N)C1=CC=C(C=C1)Cl PH002754 [0,2,0,0,0,0|0,0,2]=4 47 B14R2.68 ClC1=CC=C(C=C1)C2CCCNC2 CBR00403 [1,0,0,1,0,0|1,0,1]=4 48 B14R2.157 NCC1(CCC1)C2=CC=C(C=C2)Cl OTV000978 [1,0,0,1,0,0|1,0,1]=4 49 B14R2.20678 NC1(CC(C1)O)C2=CC=C(C=C2)Cl CVT00012 [1,0,0,1,0,0|1,0,1]=4 50 B14R2.2 O=C(O)CC1CCC2=CC=CC=C12 CDS007741 [1,0,0,1,0,0|1,0,0]=3 51 B14R2.2 O=C([O-])CC1CNC2=C1C=CC=C2 R464317 [1,0,0,1,0,0|0,0,1]=3 52 B14R2.598 CC1NC(=O)CC1C2=CC=CC=C2 PH007913 [1,0,0,1,0,0|2,0,0]=4 53 B14R2.10595 CC1=CC=C(C=C1)C2(CC2)C(=O)O S448206 [0,0,0,1,1,0|2,0,0]=4 54 B14R2.10595 O=C(O)C1(CC1)C2=CC=C(C=C2)Br BBO000686 [0,0,0,1,1,0|1,1,0]=4 55 B14R2.10595 O=C(O)C1(CC1)C2=CC=C(C=C2)Br CDS013359 [0,0,0,1,1,0|1,1,0]=4 56 B14R2.10595 O=C(O)C1(CC1)C2=CC=C(C=C2)F BBO000772 [0,0,0,1,1,0|1,1,0]=4 57 B16R2.2865 [C@H]1(CSC(N1)C2=CC=C(C=C2)Cl)C(=O)O R818585 [0,0,0,1,0,1|2,0,0]=4 58 B16R2.2482 COC1=CC2=C(C=C1)C(CO2)CC(=O)O CDS023118 [0,1,0,1,0,0|2,0,0]=4 59 B16R2.24600 O=C(O)CC1CC(=O)C2=CC(=CC=C12)Cl PH016881 [0,1,0,1,0,0|1,0,0]=3 60 B16R2.2982 CC1=CC=C2C(=C1)NC(=O)C2CC(=O)O CBR00504 [0,1,0,1,0,0|1,0,1]=4 61 B16R2.2982 O=C(O)CC1C(=O)NC2=CC(=CC=C12)F CBR01105 [0,1,0,1,0,0|0,1,1]=4 62 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Cl PH007239 [1,0,0,0,1,0|2,0,0]=4 63 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [1,0,0,0,1,0|0,1,0]=3 64 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [1,0,0,0,1,0|1,0,0]=3 65 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [1,0,0,0,1,0|1,0,0]=3 66 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [1,0,0,0,1,0|1,0,0]=3 67 B12R1.478 CCC(C(=O)N)C1=CC=CC=C1 S364401 [1,0,0,0,1,0|2,0,0]=4 68 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 S401900 [1,0,0,0,1,0|1,0,1]=4 69 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 S679364 [1,0,0,0,1,0|1,0,1]=4 70 B14R1.678 CC1=CC=C(C=C1)/C(=C\CC(=O)O)/C T195170 [1,0,0,0,0,1|1,0,1]=4 71 B14R1.678 CC1=CC=C(C=C1)C(C)CCC(=O)O T195227 [1,0,0,0,0,1|1,0,0]=3 72 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Cl S658049 [1,0,0,0,0,1|1,0,1]=4 73 B14R1.698 C/C(=C\C1=CC=C(C=C1)Cl)/CC(=O)O L128996 [1,0,0,0,0,1|0,0,1]=3 74 B14R1.698 CC(CC(=O)O)NC1=CC=C(C=C1)Cl R152048 [1,0,0,0,0,1|0,0,0]=2 75 B14R1.698 CC(CC(=O)O)SC1=CC=C(C=C1)Cl PH011455 [1,0,0,0,0,1|0,0,0]=2