0 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.2 COC1=CC=CC(O)=C1 BBP00254 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.2 OCc1cccc(O)c1 T4760 [1,0,0,0,0,0|0,0,2]=3 7 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,0,0|0,0,2]=3 8 B9R1.6 NC(=O)C1=CC=CC=C1 BBP01204 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.6 NC(=O)C1=CC=CN=C1 BBP05373 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.6 O=C(O)C1=CC=CC=C1 BBP00049 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.6 O=C(O)C1=CC=CN=C1 BBP05316 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.6 O=C(O)c1ccccc1 T0833 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.6 O=C(O)c1ccccn1 T4850 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.6 O=C(O)c1cccnc1 T0879 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 BBP02583 [0,1,0,0,0,0|0,0,0]=1 17 B11R1.21 CC1=C(O)C=C(C(C)C)C=C1 T4S1990 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 BBP00864 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.21 O=C(O)c1ccc(O)c(O)c1 T0562 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.74 O=C(O)c1cc(O)cc(O)c1 T0570 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.159 Nc1c(O)cccc1C(=O)O T4707 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.159 O=C(O)c1cccc(O)c1O T4810 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 BBP04650 [0,1,0,0,0,0|0,0,0]=1 24 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 TCS2170 [0,1,0,0,0,0|0,0,0]=1 25 B11R1.167 O=C(O)c1cc(O)ccc1O T2857 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.157 O=C(O)Cc1cccc(O)c1 T4829 [0,0,0,0,0,1|1,0,0]=2 27 B8R1.2 NCC1=CC=CC=C1 BBP04286 [2,0,0,0,0,0|1,0,1]=4 28 B8R1.2 NCc1ccccc1 T4846 [2,0,0,0,0,0|1,0,1]=4 29 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [2,0,0,0,0,0|0,0,0]=2 30 B8R1.2 OCC1=CC=CC=C1 T0732 [2,0,0,0,0,0|0,0,2]=4 31 B8R1.4 OC1=CC=CC(O)=C1 BBP01971 [2,0,0,0,0,0|0,0,1]=3 32 B10R1.8 COC1=CC(O)=CC(O)=C1 BBP04494 [1,1,0,0,0,0|1,0,0]=3 33 B10R1.30 O=CC1=C(O)C=CC(O)=C1 BBP01230 [1,1,0,0,0,0|0,0,0]=2 34 B10R1.176 O=CC1=CC(O)=C(O)C=C1 BBP00813 [1,1,0,0,0,0|0,0,0]=2 35 B10R1.176 O=Cc1ccc(O)c(O)c1 T3018 [1,1,0,0,0,0|0,0,0]=2 36 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BBP00283 [1,1,0,0,0,0|0,0,0]=2 37 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BBP00210 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|0,0,2]=4 42 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [1,1,0,0,0,0|0,0,0]=2 43 B10R1.61 O=C(O)c1ccccc1O T0649 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.31 O=C(O)C1=CC=C(CO)O1 BBP04530 [0,1,0,0,1,0|2,0,0]=4 45 B12R1.19 O=C(O)Cc1ccc(O)c(O)c1 T4907 [0,1,0,0,0,1|1,0,0]=3 46 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 TCS2070 [0,1,0,0,0,1|1,0,0]=3 47 B12R1.48 COC1=C(O)C=C(C(C)=O)C=C1 BBP03590 [0,2,0,0,0,0|0,0,0]=2 48 B12R1.56 COC1=CC(C(=O)O)=CC=C1O BBP00056 [0,2,0,0,0,0|1,0,0]=3 49 B12R1.56 COC1=CC(C(C)=O)=CC=C1O BBP03197 [0,2,0,0,0,0|0,0,0]=2 50 B12R1.56 COc1cc(C(=O)O)ccc1O T9115 [0,2,0,0,0,0|1,0,0]=3 51 B12R1.56 COc1cc(C(C)=O)ccc1O T6391 [0,2,0,0,0,0|0,0,0]=2 52 B12R1.367 COC(=O)C1=CC(O)=C(O)C=C1 BBP04280 [0,2,0,0,0,0|0,0,0]=2 53 B12R1.367 COC(=O)c1ccc(O)c(O)c1 T1368 [0,2,0,0,0,0|0,0,0]=2 54 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T7044 [0,2,0,0,0,0|0,0,2]=4 55 B12R1.1005 O=C(O)C1=CC(O)=C(O)C(O)=C1 BBP01202 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.1005 O=C(O)c1cc(O)c(O)c(O)c1 T0877 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.17 CNC[C@H](O)c1cccc(O)c1 T0453 [0,2,0,0,0,0|0,0,2]=4 58 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 BBP00328 [0,2,0,0,0,0|0,0,0]=2 59 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 T3760 [0,2,0,0,0,0|0,0,0]=2 60 B8R1.1 CC1=CC=C(C=O)O1 TCP2934 [1,0,0,0,1,0|2,0,0]=4 61 B8R1.7 O=C(O)C1=CC=CO1 BBP02308 [1,0,0,0,1,0|2,0,0]=4 62 B8R1.7 O=C(O)C1=COC=C1 BBP04181 [1,0,0,0,1,0|2,0,0]=4 63 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,0,0,0,1|0,0,0]=2 64 B10R1.18 O=C(O)Cc1ccccc1 T4935 [1,0,0,0,0,1|1,0,0]=3