0 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BBP00283 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BBP00210 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.1 O=CC1=CC=C(O)C=C1 BBP00159 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.1 OCC1=CC=C(O)C=C1 BBP00170 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,0,0|1,0,1]=3 10 B9R1.6 NC(=O)C1=CC=CC=C1 BBP01204 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.6 NC(=O)C1=CC=CN=C1 BBP05373 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.6 O=C(O)C1=CC=CC=C1 BBP00049 [1,0,0,0,0,0|0,0,0]=1 14 B9R1.6 O=C(O)C1=CC=CN=C1 BBP05316 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.6 O=C(O)c1ccccc1 T0833 [1,0,0,0,0,0|0,0,0]=1 16 B9R1.6 O=C(O)c1ccccn1 T4850 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.6 O=C(O)c1cccnc1 T0879 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.3 COC1=CC=C(C(=O)O)C=C1 TCS0862 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 BBP02583 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 BBP00864 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.21 O=C(O)c1ccc(O)c(O)c1 T0562 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 BBP02463 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.22 COC(=O)C1=CC=C(O)C=C1 BBP00471 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.166 CC(=O)C1=C(O)C=C(C)C=C1 BBP05006 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 BBP00273 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.166 O=C(O)c1cnc(O)nc1O T4711 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,0,0,0,0,1|2,0,0]=3 32 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BBP02607 [0,0,0,0,0,1|1,0,0]=2 33 B11R1.20 O=C(O)Cc1ccc(O)cc1 T3743 [0,0,0,0,0,1|1,0,0]=2 34 B8R1.2 NCC1=CC=CC=C1 BBP04286 [2,0,0,0,0,0|1,0,1]=4 35 B8R1.2 NCc1ccccc1 T4846 [2,0,0,0,0,0|1,0,1]=4 36 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [2,0,0,0,0,0|0,0,0]=2 37 B8R1.2 OCC1=CC=CC=C1 T0732 [2,0,0,0,0,0|0,0,1]=3 38 B8R1.3 OC1=CC=C(O)C=C1 T0673 [2,0,0,0,0,0|1,0,0]=3 39 B10R1.1 OCCC1=CC=C(O)C=C1 BBP01578 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|1,0,1]=4 41 B10R1.176 O=CC1=CC(O)=C(O)C=C1 BBP00813 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.176 O=Cc1ccc(O)c(O)c1 T3018 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.61 O=C(O)c1ccccc1O T0649 [1,1,0,0,0,0|0,0,0]=2 46 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [1,1,0,0,0,0|0,0,0]=2 51 B10R1.31 O=C(O)C1=CC=C(CO)O1 BBP04530 [0,1,0,0,1,0|2,0,0]=4 52 B12R1.19 O=C(O)Cc1ccc(O)c(O)c1 T4907 [0,1,0,0,0,1|1,0,0]=3 53 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 BBP04425 [0,1,0,0,0,1|1,0,0]=3 54 B12R1.233 O=C(O)CC1=C(O)C=C(O)C=C1 BBP01536 [0,1,0,0,0,1|1,0,0]=3 55 B12R1.48 COC1=C(O)C=C(C(C)=O)C=C1 BBP03590 [0,2,0,0,0,0|2,0,0]=4 56 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 BBP05047 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 BBP00050 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.452 COc1ccc(C(=O)O)c(O)c1 T2A2428 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.452 COc1ccc(C(C)=O)c(O)c1 T2900 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.56 COC1=CC(C(=O)O)=CC=C1O BBP00056 [0,2,0,0,0,0|1,0,0]=3 61 B12R1.56 COC1=CC(C(C)=O)=CC=C1O BBP03197 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.56 COc1cc(C(=O)O)ccc1O T9115 [0,2,0,0,0,0|1,0,0]=3 63 B12R1.56 COc1cc(C(C)=O)ccc1O T6391 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.367 COC(=O)C1=CC(O)=C(O)C=C1 BBP04280 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.367 COC(=O)c1ccc(O)c(O)c1 T1368 [0,2,0,0,0,0|1,0,0]=3 66 B12R1.1005 O=C(O)C1=CC(O)=C(O)C(O)=C1 BBP01202 [0,2,0,0,0,0|1,0,0]=3 67 B12R1.1005 O=C(O)c1cc(O)c(O)c(O)c1 T0877 [0,2,0,0,0,0|1,0,0]=3 68 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 BBP00244 [0,2,0,0,0,0|1,0,0]=3 69 B12R1.16 CCOC(=O)c1ccc(O)cc1 T0834 [0,2,0,0,0,0|1,0,0]=3 70 B12R1.16 O=C(CCO)C1=CC=C(O)C=C1 BBP05109 [0,2,0,0,0,0|1,0,0]=3 71 B12R1.1000 CC(=O)C1=C(O)C=C(O)C=C1O BBP02841 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.1000 CC(=O)c1c(O)cc(O)cc1O T2840 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.1000 CC1=CC(O)=CC(O)=C1C(=O)O BBP03174 [0,2,0,0,0,0|1,0,0]=3 74 B12R1.1000 Cc1cc(O)cc(O)c1C(=O)O T2839 [0,2,0,0,0,0|1,0,0]=3 75 B8R1.1 CC1=CC=C(C=O)O1 TCP2934 [1,0,0,0,1,0|2,0,0]=4 76 B8R1.7 O=C(O)C1=CC=CO1 BBP02308 [1,0,0,0,1,0|1,0,0]=3 77 B8R1.7 O=C(O)C1=COC=C1 BBP04181 [1,0,0,0,1,0|1,0,0]=3 78 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,0,0,0,1|1,0,0]=3 79 B10R1.18 O=C(O)Cc1ccccc1 T4935 [1,0,0,0,0,1|0,0,0]=2 80 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BBP04146 [0,0,0,0,0,2|2,0,0]=4 81 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,0,0,0,0,2|2,0,0]=4 82 B12R1.21 NC(=O)\C=C\C1=CC=C(O)C=C1 BBP01524 [0,0,0,0,0,2|2,0,0]=4 83 B12R1.21 O=C(O)CCc1ccc(O)cc1 T2862 [0,0,0,0,0,2|1,0,0]=3 84 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 BBP00382 [0,0,0,0,0,2|1,0,0]=3 85 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T2863 [0,0,0,0,0,2|1,0,0]=3 86 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T7053 [0,0,0,0,0,2|1,0,0]=3