0 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.61 O=C(O)c1ccccc1O T0649 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,0,0|1,0,1]=3 3 B9R1.6 NC(=O)C1=CC=CC=C1 BBP01204 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.6 NC(=O)C1=CC=CN=C1 BBP05373 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.6 O=C(O)C1=CC=CC=C1 BBP00049 [1,0,0,0,0,0|0,0,0]=1 7 B9R1.6 O=C(O)C1=CC=CN=C1 BBP05316 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.6 O=C(O)c1ccccc1 T0833 [1,0,0,0,0,0|0,0,0]=1 9 B9R1.6 O=C(O)c1ccccn1 T4850 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.6 O=C(O)c1cccnc1 T0879 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.15 COc1ccccc1O T1301 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.15 OCC1=CC=CC=C1O BBP00748 [1,0,0,0,0,0|0,0,1]=2 13 B9R1.15 OCc1ccccc1O T0311 [1,0,0,0,0,0|0,0,1]=2 14 B11R1.159 Nc1c(O)cccc1C(=O)O T4707 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.159 O=C(O)c1cccc(O)c1O T4810 [0,1,0,0,0,0|0,0,0]=1 16 B11R1.166 CC(=O)C1=C(O)C=C(C)C=C1 BBP05006 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 BBP00273 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.166 CC1=CC=C(C(C)C)C(O)=C1 BBP04040 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.166 Cc1ccc(C(C)C)c(O)c1 T3S0717 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.166 O=C(O)c1cnc(O)nc1O T4711 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 BBP04650 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 TCS2170 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.167 O=C(O)c1cc(O)ccc1O T2857 [0,1,0,0,0,0|0,0,0]=1 25 B11R1.222 COC(=O)C1=C(O)C=CC=C1 BBP04331 [0,1,0,0,0,0|0,0,0]=1 26 B11R1.222 COC(=O)c1ccccc1O T0399 [0,1,0,0,0,0|0,0,0]=1 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|0,0,1]=3 31 B8R1.5 O=C1C=COC=C1O BBP03674 [2,0,0,0,0,0|1,0,0]=3 32 B8R1.5 OC1=C(O)C=CC=C1 BBP01074 [2,0,0,0,0,0|0,0,0]=2 33 B8R1.5 Oc1ccccc1O T4847 [2,0,0,0,0,0|0,0,0]=2 34 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BBP00283 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [1,1,0,0,0,0|0,0,0]=2 36 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BBP00210 [1,1,0,0,0,0|0,0,0]=2 37 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [1,1,0,0,0,0|0,0,0]=2 38 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [1,1,0,0,0,0|0,0,0]=2 45 B10R1.30 O=CC1=C(O)C=CC(O)=C1 BBP01230 [1,1,0,0,0,0|0,0,0]=2 46 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 TCS2070 [0,1,0,0,0,1|0,0,0]=2 47 B12R1.233 O=C(O)CC1=C(O)C=C(O)C=C1 BBP01536 [0,1,0,0,0,1|0,0,0]=2 48 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O BBP01774 [0,2,0,0,0,0|0,0,1]=3 49 B12R1.261 O=C(O)c1cccnc1C(=O)O T4096 [0,2,0,0,0,0|1,0,0]=3 50 B12R1.1000 CC(=O)C1=C(O)C=C(O)C=C1O BBP02841 [0,2,0,0,0,0|1,0,0]=3 51 B12R1.1000 CC(=O)c1c(O)cc(O)cc1O T2840 [0,2,0,0,0,0|1,0,0]=3 52 B12R1.1000 CC1=CC(O)=CC(O)=C1C(=O)O BBP03174 [0,2,0,0,0,0|0,0,0]=2 53 B12R1.1000 Cc1cc(O)cc(O)c1C(=O)O T2839 [0,2,0,0,0,0|0,0,0]=2 54 B12R1.3441 COC(=O)C1=C(O)C=CC=C1O BBP04357 [0,2,0,0,0,0|0,0,0]=2 55 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 BBP05047 [0,2,0,0,0,0|0,0,0]=2 56 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 BBP00050 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.452 COc1ccc(C(=O)O)c(O)c1 T2A2428 [0,2,0,0,0,0|0,0,0]=2 58 B12R1.452 COc1ccc(C(C)=O)c(O)c1 T2900 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.1703 CC1=CC(O)=C(C(C)CO)C=C1 BBP04422 [0,2,0,0,0,0|1,0,1]=4 60 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 BBP00328 [0,2,0,0,0,0|1,0,0]=3 61 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 T3760 [0,2,0,0,0,0|1,0,0]=3 62 B10R1.18 O=C(O)Cc1ccccc1 T4935 [0,0,1,1,0,0|1,0,1]=4 63 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 BBP03981 [0,0,0,1,0,1|2,0,0]=4 64 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,1,0,1|2,0,0]=4 65 B12R2.24 O=c1ccc2ccccc2o1 T0775 [0,0,0,1,0,1|2,0,0]=4 66 B12R2.18 O=C1Nc2ccccc2C1=O T6862 [0,1,0,1,0,0|1,0,1]=4 67 B8R1.7 O=C(O)C1=CC=CO1 BBP02308 [1,0,0,0,1,0|1,0,0]=3 68 B8R1.7 O=C(O)C1=COC=C1 BBP04181 [1,0,0,0,1,0|1,0,0]=3 69 B12R1.125 O=C(O)CCc1ccccc1O T4892 [0,0,0,0,0,2|0,0,0]=2