0 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.6 NC(=O)C1=CC=CC=C1 BBP01204 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.6 NC(=O)C1=CC=CN=C1 BBP05373 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 O=C(O)C1=CC=CC=C1 BBP00049 [0,0,0,0,0,0|0,0,0]=0 5 B9R1.6 O=C(O)C1=CC=CN=C1 BBP05316 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.6 O=C(O)c1ccccc1 T0833 [0,0,0,0,0,0|0,0,0]=0 7 B9R1.6 O=C(O)c1ccccn1 T4850 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.6 O=C(O)c1cccnc1 T0879 [0,0,0,0,0,0|1,0,0]=1 9 B8R1.2 NCC1=CC=CC=C1 BBP04286 [1,0,0,0,0,0|1,0,1]=3 10 B8R1.2 NCc1ccccc1 T4846 [1,0,0,0,0,0|1,0,1]=3 11 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [1,0,0,0,0,0|0,0,0]=1 12 B8R1.2 OCC1=CC=CC=C1 T0732 [1,0,0,0,0,0|0,0,1]=2 13 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BBP00283 [0,1,0,0,0,0|1,0,0]=2 14 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [0,1,0,0,0,0|0,0,0]=1 15 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BBP00210 [0,1,0,0,0,0|0,0,0]=1 16 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [0,1,0,0,0,0|0,0,0]=1 17 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [0,1,0,0,0,0|1,0,0]=2 18 B10R1.15 NCC(O)c1ccccc1 T4873 [0,1,0,0,0,0|1,0,1]=3 19 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [0,1,0,0,0,0|1,0,0]=2 20 B10R1.61 O=C(O)c1ccccc1O T0649 [0,1,0,0,0,0|0,0,0]=1 21 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [0,1,0,0,0,0|1,0,0]=2 22 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [0,1,0,0,0,0|1,0,1]=3 23 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [0,1,0,0,0,0|0,0,0]=1 26 B8R1.7 O=C(O)C1=CC=CO1 BBP02308 [0,0,0,0,1,0|1,0,0]=2 27 B8R1.7 O=C(O)C1=COC=C1 BBP04181 [0,0,0,0,1,0|1,0,0]=2 28 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,0,0,0,0,1|1,0,0]=2 29 B10R1.18 O=C(O)Cc1ccccc1 T4935 [0,0,0,0,0,1|0,0,0]=1 30 B7R0.4 C\C=C\C=C\C(=O)[O-] T4807 [1,0,1,0,0,0|0,0,2]=4 31 B7R1.3 Nc1ccccc1 T4777 [2,0,0,0,0,0|1,0,0]=3 32 B7R1.3 OC1=CC=CC=C1 TCS0927 [2,0,0,0,0,0|0,0,0]=2 33 B9R1.1 O=CC1=CC=C(O)C=C1 BBP00159 [1,1,0,0,0,0|0,0,0]=2 34 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [1,1,0,0,0,0|0,0,0]=2 35 B9R1.1 OCC1=CC=C(O)C=C1 BBP00170 [1,1,0,0,0,0|0,0,1]=3 36 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [1,1,0,0,0,0|0,0,1]=3 37 B9R1.2 COC1=CC=CC(O)=C1 BBP00254 [1,1,0,0,0,0|2,0,0]=4 38 B9R1.2 OCc1cccc(O)c1 T4760 [1,1,0,0,0,0|0,0,1]=3 39 B9R1.8 NCCc1ccccc1 T2935 [1,1,0,0,0,0|1,0,1]=4 40 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [1,1,0,0,0,0|0,0,0]=2 41 B9R1.8 OCCC1=CC=CC=C1 T0011 [1,1,0,0,0,0|0,0,1]=3 42 B9R1.15 COc1ccccc1O T1301 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.15 OCC1=CC=CC=C1O BBP00748 [1,1,0,0,0,0|0,0,1]=3 44 B9R1.15 OCc1ccccc1O T0311 [1,1,0,0,0,0|0,0,1]=3 45 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,1,0,0,0,1|1,0,0]=3 46 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 BBP02607 [0,1,0,0,0,1|0,0,0]=2 47 B11R1.20 O=C(O)Cc1ccc(O)cc1 T3743 [0,1,0,0,0,1|0,0,0]=2 48 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 BBP03215 [0,1,0,0,0,1|1,0,1]=4 49 B11R1.36 O=C(O)C(O)c1ccccc1 T4848 [0,1,0,0,0,1|0,0,0]=2 50 B11R1.36 O=C(O)[C@H](O)c1ccccc1 T2S0122 [0,1,0,0,0,1|0,0,0]=2 51 B11R1.157 O=C(O)Cc1cccc(O)c1 T4829 [0,1,0,0,0,1|0,0,0]=2 52 B11R1.3 COC1=CC=C(C(=O)O)C=C1 TCS0862 [0,2,0,0,0,0|0,0,0]=2 53 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 BBP02583 [0,2,0,0,0,0|1,0,0]=3 54 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 BBP00864 [0,2,0,0,0,0|0,0,0]=2 55 B11R1.21 O=C(O)c1ccc(O)c(O)c1 T0562 [0,2,0,0,0,0|0,0,0]=2 56 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 BBP02463 [0,2,0,0,0,0|1,0,0]=3 57 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [0,2,0,0,0,0|1,0,0]=3 58 B11R1.22 COC(=O)C1=CC=C(O)C=C1 BBP00471 [0,2,0,0,0,0|0,0,0]=2 59 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,2,0,0,0,0|0,0,0]=2 60 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,2,0,0,0,0|1,0,1]=4 61 B11R1.166 CC(=O)C1=C(O)C=C(C)C=C1 BBP05006 [0,2,0,0,0,0|1,0,0]=3 62 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 BBP00273 [0,2,0,0,0,0|1,0,0]=3 63 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [0,2,0,0,0,0|1,0,0]=3 64 B11R1.166 O=C(O)c1cnc(O)nc1O T4711 [0,2,0,0,0,0|2,0,0]=4 65 B11R1.222 COC(=O)C1=C(O)C=CC=C1 BBP04331 [0,2,0,0,0,0|0,0,0]=2 66 B11R1.222 COC(=O)c1ccccc1O T0399 [0,2,0,0,0,0|0,0,0]=2 67 B11R1.159 Nc1c(O)cccc1C(=O)O T4707 [0,2,0,0,0,0|0,0,0]=2 68 B11R1.159 O=C(O)c1cccc(O)c1O T4810 [0,2,0,0,0,0|0,0,0]=2 69 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 BBP04650 [0,2,0,0,0,0|1,0,0]=3 70 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 TCS2170 [0,2,0,0,0,0|1,0,0]=3 71 B11R1.167 O=C(O)c1cc(O)ccc1O T2857 [0,2,0,0,0,0|0,0,0]=2 72 B11R1.74 O=C(O)c1cc(O)cc(O)c1 T0570 [0,2,0,0,0,0|0,0,0]=2 73 B11R1.91 CC(=O)CCC1=CC=CC=C1 TCS1709 [0,0,0,0,0,2|1,0,0]=3 74 B11R1.91 CC(=O)\C=C\c1ccccc1 TCS1554 [0,0,0,0,0,2|1,0,0]=3 75 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 BBP01257 [0,0,0,0,0,2|1,0,0]=3 76 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBP02940 [0,0,0,0,0,2|0,0,0]=2 77 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 BBP00136 [0,0,0,0,0,2|0,0,0]=2 78 B11R1.91 O=C(O)\C=C\c1ccccc1 T2740 [0,0,0,0,0,2|0,0,0]=2