0 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 BBP04650 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 TCS2170 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.167 O=C(O)c1cc(O)ccc1O T2857 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.30 O=CC1=C(O)C=CC(O)=C1 BBP01230 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [1,0,0,0,0,0|0,0,0]=1 5 B10R1.61 O=C(O)c1ccccc1O T0649 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 BBP00328 [0,1,0,0,0,0|0,0,0]=1 12 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 T3760 [0,1,0,0,0,0|0,0,0]=1 13 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 TCS2070 [0,0,0,0,0,1|2,0,0]=3 14 B9R1.2 COC1=CC=CC(O)=C1 BBP00254 [2,0,0,0,0,0|2,0,0]=4 15 B9R1.15 COc1ccccc1O T1301 [2,0,0,0,0,0|1,0,0]=3 16 B9R1.15 OCC1=CC=CC=C1O BBP00748 [2,0,0,0,0,0|0,0,2]=4 17 B9R1.15 OCc1ccccc1O T0311 [2,0,0,0,0,0|0,0,2]=4 18 B9R1.69 CC1=C(O)C=CC(O)=C1 BBP04832 [2,0,0,0,0,0|1,0,0]=3 19 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [2,0,0,0,0,0|0,0,1]=3 20 B9R1.6 C[C@H](O)c1ccccc1 T4784 [2,0,0,0,0,0|0,0,2]=4 21 B9R1.6 NC(=O)C1=CC=CC=C1 BBP01204 [2,0,0,0,0,0|1,0,0]=3 22 B9R1.6 NC(=O)C1=CC=CN=C1 BBP05373 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.6 O=C(O)C1=CC=CC=C1 BBP00049 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.6 O=C(O)C1=CC=CN=C1 BBP05316 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.6 O=C(O)c1ccccc1 T0833 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.6 O=C(O)c1ccccn1 T4850 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.6 O=C(O)c1cccnc1 T0879 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.37 COC1=C(OC)C=C(O)C=C1 BBP01277 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.280 COc1cc(C=O)ccc1O T6717 [1,1,0,0,0,0|1,0,1]=4 31 B11R1.280 COc1cc(CO)ccc1O T2860 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.159 Nc1c(O)cccc1C(=O)O T4707 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.159 O=C(O)c1cccc(O)c1O T4810 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.166 CC(=O)C1=C(O)C=C(C)C=C1 BBP05006 [1,1,0,0,0,0|0,0,0]=2 35 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 BBP00273 [1,1,0,0,0,0|0,0,0]=2 36 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [1,1,0,0,0,0|0,0,0]=2 37 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 BBP04040 [1,1,0,0,0,0|1,0,1]=4 38 B11R1.166 Cc1ccc(C(C)C)c(O)c1 T3S0717 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.222 COC(=O)C1=C(O)C=CC=C1 BBP04331 [1,1,0,0,0,0|0,0,0]=2 40 B11R1.222 COC(=O)c1ccccc1O T0399 [1,1,0,0,0,0|0,0,0]=2 41 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 BBP02583 [1,1,0,0,0,0|1,0,0]=3 42 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 BBP00864 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.21 O=C(O)c1ccc(O)c(O)c1 T0562 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.74 O=C(O)c1cc(O)cc(O)c1 T0570 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.13 CC(=O)c1ccc(O)c(C(=O)O)c1 T2735 [0,2,0,0,0,0|1,0,0]=3 46 B11R1.91 CC(=O)\C=C\c1ccccc1 TCS1554 [0,0,1,1,0,0|1,0,1]=4 47 B11R2.36 OC1=CC2=C(C=C1)OCO2 BBP03902 [1,0,0,1,0,0|2,0,0]=4 48 B11R2.36 Oc1ccc2c(c1)OCO2 T3676 [1,0,0,1,0,0|2,0,0]=4 49 B11R1.157 O=C(O)Cc1cccc(O)c1 T4829 [1,0,0,0,0,1|2,0,0]=4