0 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 BBP02583 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 T4S1990 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 BBP00864 [0,0,0,0,0,0|0,0,0]=0 3 B11R1.21 O=C(O)c1ccc(O)c(O)c1 T0562 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BBP00283 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BBP00210 [1,0,0,0,0,0|0,0,0]=1 7 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [1,0,0,0,0,0|0,0,0]=1 8 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [1,0,0,0,0,0|0,0,0]=1 14 B10R1.176 O=C1C=C(CO)OC=C1O BBP04330 [1,0,0,0,0,0|1,0,2]=4 15 B10R1.176 O=CC1=CC(O)=C(O)C=C1 BBP00813 [1,0,0,0,0,0|0,0,0]=1 16 B10R1.176 O=Cc1ccc(O)c(O)c1 T3018 [1,0,0,0,0,0|0,0,0]=1 17 B12R1.48 COC1=C(O)C=C(C(C)=O)C=C1 BBP03590 [0,1,0,0,0,0|1,0,0]=2 18 B12R1.56 COC1=CC(C(=O)O)=CC=C1O BBP00056 [0,1,0,0,0,0|0,0,0]=1 19 B12R1.56 COC1=CC(C(C)=O)=CC=C1O BBP03197 [0,1,0,0,0,0|1,0,0]=2 20 B12R1.56 COc1cc(C(=O)O)ccc1O T9115 [0,1,0,0,0,0|0,0,0]=1 21 B12R1.56 COc1cc(C(C)=O)ccc1O T6391 [0,1,0,0,0,0|1,0,0]=2 22 B12R1.367 COC(=O)C1=CC(O)=C(O)C=C1 BBP04280 [0,1,0,0,0,0|0,0,0]=1 23 B12R1.367 COC(=O)c1ccc(O)c(O)c1 T1368 [0,1,0,0,0,0|0,0,0]=1 24 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T7044 [0,1,0,0,0,0|1,0,1]=3 25 B12R1.1005 O=C(O)C1=CC(O)=C(O)C(O)=C1 BBP01202 [0,1,0,0,0,0|0,0,0]=1 26 B12R1.1005 O=C(O)c1cc(O)c(O)c(O)c1 T0877 [0,1,0,0,0,0|0,0,0]=1 27 B12R1.19 O=C(O)Cc1ccc(O)c(O)c1 T4907 [0,0,0,0,0,1|0,0,0]=1 28 B9R1.1 O=CC1=CC=C(O)C=C1 BBP00159 [2,0,0,0,0,0|0,0,0]=2 29 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [2,0,0,0,0,0|0,0,0]=2 30 B9R1.1 OCC1=CC=C(O)C=C1 BBP00170 [2,0,0,0,0,0|0,0,1]=3 31 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [2,0,0,0,0,0|0,0,1]=3 32 B9R1.6 C[C@H](O)c1ccccc1 T4784 [2,0,0,0,0,0|1,0,1]=4 33 B9R1.6 NC(=O)C1=CC=CC=C1 BBP01204 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.6 NC(=O)C1=CC=CN=C1 BBP05373 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.6 O=C(O)C1=CC=CC=C1 BBP00049 [2,0,0,0,0,0|0,0,0]=2 37 B9R1.6 O=C(O)C1=CC=CN=C1 BBP05316 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.6 O=C(O)c1ccccc1 T0833 [2,0,0,0,0,0|0,0,0]=2 39 B9R1.6 O=C(O)c1ccccn1 T4850 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.6 O=C(O)c1cccnc1 T0879 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.2 COC1=CC=CC(O)=C1 BBP00254 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.2 OCc1cccc(O)c1 T4760 [2,0,0,0,0,0|0,0,1]=3 43 B9R1.69 CC1=C(O)C=CC(O)=C1 BBP04832 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [2,0,0,0,0,0|0,0,1]=3 45 B11R1.3 COC1=CC=C(C(=O)O)C=C1 TCS0862 [1,1,0,0,0,0|0,0,0]=2 46 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 BBP02463 [1,1,0,0,0,0|1,0,0]=3 47 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.22 COC(=O)C1=CC=C(O)C=C1 BBP00471 [1,1,0,0,0,0|0,0,0]=2 49 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [1,1,0,0,0,0|0,0,0]=2 50 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.166 CC(=O)C1=C(O)C=C(C)C=C1 BBP05006 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 BBP00273 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.166 O=C(O)c1cnc(O)nc1O T4711 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.74 O=C(O)c1cc(O)cc(O)c1 T0570 [1,1,0,0,0,0|0,0,0]=2 56 B11R1.159 Nc1c(O)cccc1C(=O)O T4707 [1,1,0,0,0,0|0,0,0]=2 57 B11R1.159 O=C(O)c1cccc(O)c1O T4810 [1,1,0,0,0,0|0,0,0]=2 58 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 BBP04650 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 TCS2170 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.167 O=C(O)c1cc(O)ccc1O T2857 [1,1,0,0,0,0|0,0,0]=2 61 B11R1.192 C=CCC1=CC(O)=C(O)C=C1 BBP01609 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.192 NCCc1ccc(O)c(O)c1 T1644 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.192 OCCC1=CC(O)=C(O)C=C1 BBP00971 [1,1,0,0,0,0|0,0,1]=3 64 B11R1.192 OCCc1ccc(O)c(O)c1 T3412 [1,1,0,0,0,0|0,0,1]=3 65 B11R1.279 COC1=C(O)C=C(C=O)C=C1 T3740 [1,1,0,0,0,0|0,0,0]=2 66 B11R1.279 COC1=C(O)C=C(CO)C=C1 BBP05133 [1,1,0,0,0,0|0,0,1]=3 67 B11R1.280 COc1cc(C=O)ccc1O T6717 [1,1,0,0,0,0|0,0,0]=2 68 B11R1.280 COc1cc(CO)ccc1O T2860 [1,1,0,0,0,0|0,0,1]=3 69 B13R1.52 COC1=C(O)C=CC(CC(=O)O)=C1 T3S0507 [0,1,0,0,0,1|0,0,0]=2 70 B13R1.3091 COC1=CC=C(C(=O)O)C=C1OC BBP01344 [0,2,0,0,0,0|0,0,0]=2 71 B13R1.3091 COc1ccc(C(=O)O)cc1OC T3744 [0,2,0,0,0,0|0,0,0]=2 72 B13R1.3096 COC1=C(O)C(O)=C(C(C)=O)C=C1 BBP03606 [0,2,0,0,0,0|1,0,0]=3 73 B13R1.13 CC(=O)c1ccc(O)c(C(=O)O)c1 T2735 [0,2,0,0,0,0|1,0,0]=3 74 B13R1.49 COC(=O)c1ccc(O)c(OC)c1 T2818 [0,2,0,0,0,0|0,0,0]=2 75 B13R1.3230 COC1=C(O)C=CC(C(C)=O)=C1O BBP04713 [0,2,0,0,0,0|1,0,0]=3 76 B13R1.331 COC(CO)C1=CC(O)=C(O)C=C1 BBP01728 [0,2,0,0,0,0|0,0,2]=4 77 B13R1.466 CNCC(O)c1ccc(O)c(O)c1 T1071L [0,2,0,0,0,0|1,0,1]=4 78 B13R1.466 CNC[C@H](O)C1=CC(O)=C(O)C=C1 T1071 [0,2,0,0,0,0|1,0,1]=4 79 B13R1.466 CNC[C@H](O)c1ccc(O)c(O)c1 T1047 [0,2,0,0,0,0|1,0,1]=4 80 B13R1.2678 COC(=O)C1=CC(O)=C(O)C(O)=C1 BBP03155 [0,2,0,0,0,0|0,0,0]=2 81 B13R1.2678 COC(=O)c1cc(O)c(O)c(O)c1 T3730 [0,2,0,0,0,0|0,0,0]=2 82 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [1,0,0,0,0,1|1,0,0]=3 83 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BBP02607 [1,0,0,0,0,1|0,0,0]=2 84 B11R1.20 O=C(O)Cc1ccc(O)cc1 T3743 [1,0,0,0,0,1|0,0,0]=2 85 B11R1.157 O=C(O)Cc1cccc(O)c1 T4829 [1,0,0,0,0,1|0,0,0]=2 86 B13R1.511 CC(=O)CCC1=CC(O)=C(O)C=C1 BBP00195 [0,0,0,0,0,2|1,0,0]=3 87 B13R1.511 NC(=O)\C=C\C1=CC(O)=C(O)C=C1 BBP01447 [0,0,0,0,0,2|1,0,0]=3 88 B13R1.511 O=C(O)CCc1ccc(O)c(O)c1 T0539 [0,0,0,0,0,2|0,0,0]=2 89 B13R1.511 O=C(O)\C=C\C1=CC(O)=C(O)C=C1 BBP02925 [0,0,0,0,0,2|0,0,0]=2 90 B13R1.511 O=C(O)\C=C\c1ccc(O)c(O)c1 T2807 [0,0,0,0,0,2|0,0,0]=2