0 B10R1.3 COc1ccc(C=O)cc1 T7910 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.3 COc1ccc(CO)cc1 T20309 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.1 CCc1ccc(O)cc1 T5883 [1,0,0,0,0,0|0,0,1]=2 3 B9R1.1 COc1ccc(F)cc1 T0528 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.1 COc1ccc(O)cc1 T0501 [1,0,0,0,0,0|1,0,1]=3 5 B9R1.1 NCc1ccc(O)cc1 T21095 [1,0,0,0,0,0|1,0,1]=3 6 B9R1.1 NNc1ccc(Cl)cc1 T3167 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.1 OCc1ccc(O)cc1 T3752 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.1 OCc1ccc(cn1)O T40502 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.1 Oc1ccc(C=C)cc1 T13509 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.3 CC(C)c1ccc(C=O)cc1 T7441 [0,1,0,0,0,0|0,0,0]=1 12 B11R1.3 CC(C)c1ccc(CO)cc1 T7442 [0,1,0,0,0,0|0,0,2]=3 13 B11R1.3 COc1ccc(cc1)C(O)=O TCS0862 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.3 COc1ccc(cn1)C(N)=O T8106 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.3 NCc1ccc(cc1)C(O)=O T1252 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.3 OC(=O)c1ccc(C=O)cc1 T1691 [0,1,0,0,0,0|1,0,1]=3 17 B11R1.83 COc1ccc(C=CC)cc1 T0014 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.83 COc1ccc(CC=C)cc1 T5649 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.83 COc1ccc(cc1)/C=C/C T0762 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.279 CCc1ccc(OC)c(O)c1 T32841 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.279 COc1ccc(C=O)c(O)c1 T2A2524 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.279 COc1ccc(C=O)cc1O T3740 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.279 COc1ccc(CO)cc1O TN6810 [0,1,0,0,0,0|1,0,2]=4 24 B9R1.21 OCc1ccc(C=O)o1 T2943 [0,0,0,0,1,0|2,0,0]=3 25 B8R1.2 NCc1ccccc1 TN3497 [2,0,0,0,0,0|1,0,0]=3 26 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|2,0,0]=4 27 B8R1.2 O=Cc1ccccc1 TWO2659 [2,0,0,0,0,0|0,0,0]=2 28 B8R1.2 OCc1ccccc1 T0732 [2,0,0,0,0,0|1,0,0]=3 29 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|2,0,0]=4 30 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.3 Clc1ccc(Cl)cc1 T7431 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|0,0,1]=3 33 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|0,0,1]=3 34 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|0,0,1]=3 35 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [1,1,0,0,0,0|0,0,2]=4 36 B10R1.1 c1cc(ccc1CCN)O T3095 [1,1,0,0,0,0|0,0,1]=3 37 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [1,1,0,0,0,0|0,0,0]=2 38 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [1,1,0,0,0,0|0,0,0]=2 41 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 T4816 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.13 OC(=O)c1ccc(=O)oc1 T7962 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.25 CCc1ccc(C)cc1O T29345 [1,1,0,0,0,0|0,0,1]=3 49 B10R1.25 CSc1ccc(C)cc1O T33232 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.25 Cc1ccc(C=O)c(O)c1 T36786 [1,1,0,0,0,0|0,0,0]=2 51 B10R1.25 Oc1ccc(C=O)c(O)c1 TN7051 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.176 NCc1ccc(O)c(O)c1 T10104 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.176 Oc1ccc(C=O)cc1O T3018 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.31 OCc1ccc(o1)C(O)=O T5278 [0,1,0,0,1,0|2,0,0]=4 55 B12R1.5 COC(=O)c1ccc(OC)cc1 T20257 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.5 COc1ccc(cc1)C(=O)CBr T7541 [0,2,0,0,0,0|1,0,0]=3 57 B12R1.6 NCc1ccc(cc1)S(N)(=O)=O T1026 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.6 NCc1ccc(cc1)S(N)(=O)=O T21258 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.6 NCc1ccc(cc1)S(N)(=O)=O T8122 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.48 COc1ccc(cc1O)C(C)=O T10112 [0,2,0,0,0,0|1,0,0]=3 61 B12R1.48 COc1ccc(cc1O)C(O)=O T5767 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.48 C[N+]1=CC(C(N)=O)=CC=C1OC T32280 [0,2,0,0,0,0|2,0,0]=4 63 B12R1.113 CCOc1ccc(cc1)C(O)=O T20455 [0,2,0,0,0,0|0,0,0]=2 64 B12R1.256 CC(=O)c1ccc(cc1)S(C)=O T8870 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.256 CC(C)c1ccc(cc1)C(O)=O T20488 [0,2,0,0,0,0|0,0,0]=2 66 B12R1.256 OC(=O)c1ccc(cc1)C(O)=O T8031 [0,2,0,0,0,0|1,0,1]=4 67 B12R1.256 OC(=O)c1ccc(cc1)[N+]([O-])=O T20882 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.452 COc1ccc(C(C)=O)c(O)c1 T2900 [0,2,0,0,0,0|1,0,0]=3 69 B12R1.452 COc1ccc(C(O)=O)c(O)c1 T2A2428 [0,2,0,0,0,0|1,0,0]=3 70 B12R1.4 COc1ccc(CC(O)=O)cc1 T5590 [0,2,0,0,0,0|1,0,0]=3 71 B12R1.4 CSc1ccc(CC(N)=O)nc1 T29373 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.71 COc1ccc(/C=C/CO)cc1 TN3049 [0,2,0,0,0,0|1,0,1]=4 73 B12R1.71 COc1ccc(C=CC=O)cc1 TN3048 [0,2,0,0,0,0|1,0,0]=3 74 B12R1.114 CCNc1ccc(cc1C)[N+]#N T31237 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.78 COc1ccc(C=O)cc1OC T5657 [0,2,0,0,0,0|1,0,0]=3 76 B12R1.653 COc1ccc(C=O)c(O)c1O T21252 [0,2,0,0,0,0|1,0,0]=3 77 B10R1.2 CCc1occc(=O)c1O T5566 [0,0,1,1,0,0|2,0,0]=4 78 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [1,0,0,0,1,0|1,0,0]=3 79 B8R1.1 Cc1ccc(C=O)s1 T19154 [1,0,0,0,1,0|1,0,0]=3 80 B10R1.172 CCc1cccc(C=C)c1 T34728 [0,0,0,0,1,1|1,0,0]=3 81 B10R1.172 CCc1cccc(C=O)c1 T21173 [0,0,0,0,1,1|0,0,0]=2 82 B10R1.172 O=Cc1cccc(c1)C#N T21188 [0,0,0,0,1,1|1,0,1]=4