0 B9R1.1 CCc1ccc(O)cc1 T5883 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.1 COc1ccc(F)cc1 T0528 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.1 COc1ccc(O)cc1 T0501 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.1 Clc1cnc(cn1)C#N T3507 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.1 NCc1ccc(O)cc1 T21095 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.1 NNc1ccc(Cl)cc1 T3167 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.1 OCc1ccc(O)cc1 T3752 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.1 OCc1ccc(cn1)O T40502 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.1 Oc1ccc(C=C)cc1 T13509 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.2 COc1cnccn1 TN6755 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.2 NCc1ccccc1 TN3497 [1,0,0,0,0,0|2,0,0]=3 12 B8R1.2 NCc1cccnc1 T1581 [1,0,0,0,0,0|1,0,0]=2 13 B8R1.2 O=Cc1ccccc1 TWO2659 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.2 OCc1ccccc1 T0732 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.2 OCc1ccccn1 T1112 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.2 OCc1cccnc1 T1299 [1,0,0,0,0,0|1,0,0]=2 17 B8R1.3 Cc1cnc(C)cn1 T4801 [1,0,0,0,0,0|1,0,0]=2 18 B8R1.3 Clc1ccc(Cl)cc1 T7431 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.3 Nc1ccc(Cl)nc1 T7234 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.1 NCCc1ccc(O)cc1 T7851 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.1 OCCc1ccc(O)cc1 T2861 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.1 c1cc(ccc1CCN)O T3095 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.3 COc1ccc(C=O)cc1 T7910 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.3 COc1ccc(CO)cc1 T20309 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [0,1,0,0,0,0|1,0,1]=3 28 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.13 CC(C)C1=CC=C(C)CC1 T7909 [0,1,0,0,0,0|1,0,1]=3 30 B10R1.13 CC(C)C1=CCC(C)=CC1 TN2031 [0,1,0,0,0,0|1,0,1]=3 31 B10R1.13 CC(C)C1CC=C(C)C=C1 TN6990 [0,1,0,0,0,0|1,0,2]=4 32 B10R1.13 CC(C)[C@H]1CC=C(C)C=C1 T8289 [0,1,0,0,0,0|1,0,2]=4 33 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.25 CCc1ccc(C)cc1O T29345 [0,1,0,0,0,0|1,0,0]=2 38 B10R1.25 CSc1ccc(C)cc1O T33232 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.25 Cc1ccc(C=O)c(O)c1 T36786 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.25 Nc1nc(=O)[nH]cc1CO T35363 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.176 NCc1ccc(O)c(O)c1 T10104 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.1 Cc1ccc(C=O)o1 TCP2934 [0,0,0,0,1,0|2,0,1]=4 43 B8R1.1 Cc1ccc(C=O)s1 T19154 [0,0,0,0,1,0|2,0,1]=4 44 B7R1.3 Cc1ccccn1 T21323 [2,0,0,0,0,0|0,0,0]=2 45 B7R1.3 Clc1cnccn1 T2193 [2,0,0,0,0,0|2,0,0]=4 46 B7R1.3 O=c1cccc[nH]1 T4805 [2,0,0,0,0,0|1,0,1]=4 47 B9R1.2 CCc1cccc(N)c1 T21169 [1,1,0,0,0,0|1,0,0]=3 48 B9R1.2 CCc1cccc(O)c1 T21170 [1,1,0,0,0,0|1,0,0]=3 49 B9R1.2 CNc1cccc(C)c1 T0557 [1,1,0,0,0,0|2,0,0]=4 50 B9R1.2 COc1cccc(Br)c1 T21218 [1,1,0,0,0,0|2,0,0]=4 51 B9R1.2 COc1cccc(C)c1 T21278 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.2 COc1cccc(O)c1 T20294 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.2 ClCc1cccc(Cl)c1 T21091 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.2 Fc1cccc(CCl)c1 T21179 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.2 OCc1ccc[n+]([O-])c1 T0257 [1,1,0,0,0,0|1,0,1]=4 56 B9R1.2 OCc1cccc(I)c1 T21214 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.2 OCc1cccc(O)c1 T4760 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.6 CC(=O)c1ccccc1 T7446 [1,1,0,0,0,0|1,0,1]=4 59 B9R1.6 CC(=O)c1cnccn1 T5596 [1,1,0,0,0,0|1,0,1]=4 60 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,1,0,0,0,0|1,0,0]=3 61 B9R1.6 NC(=O)c1cccnc1 T0934 [1,1,0,0,0,0|1,0,1]=4 62 B9R1.6 OC(=O)c1cccnc1 T0879 [1,1,0,0,0,0|1,0,1]=4 63 B9R1.8 CCOc1ccccc1 T19753 [1,1,0,0,0,0|1,0,0]=3 64 B9R1.8 CNCc1ccccc1 T8016 [1,1,0,0,0,0|1,0,0]=3 65 B9R1.8 NCCc1ccccc1 T2935 [1,1,0,0,0,0|1,0,0]=3 66 B9R1.8 NCCc1ccccc1 T7433 [1,1,0,0,0,0|1,0,0]=3 67 B9R1.8 NCCc1ccccn1 T22501 [1,1,0,0,0,0|2,0,0]=4 68 B9R1.8 O=CCc1ccccc1 TCS1857 [1,1,0,0,0,0|1,0,1]=4 69 B9R1.8 OCCc1ccccc1 T0011 [1,1,0,0,0,0|1,0,0]=3 70 B9R1.8 OCCc1ccccn1 T0658 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.15 COc1ccccc1O T1301 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.15 NCc1ccccc1O T41358 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.15 OCc1ccccc1O T0311 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.69 Cc1c[nH]c(=O)nc1N T5270 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.69 Cc1ccc(N)c(C)c1 T21114 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.69 Cc1ccc(O)c(N)c1 T9441 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.69 Cc1cnc(O)c(C)n1 T31572 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.69 Cn1ccc(N)nc1=O T10019 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.7 Cn1cnc(CCN)c1 T13487 [0,1,0,0,1,0|2,0,0]=4 82 B9R1.7 Cn1cnc(CCN)c1 T8790 [0,1,0,0,1,0|2,0,0]=4 83 B9R1.35 CC(=O)c1ccc(C)s1 T20602 [0,1,0,0,1,0|1,0,1]=4 84 B11R1.565 CC(C)c1cccc(=O)cc1 T19475 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.1 CCOCc1ccc(O)cc1 TN3029 [0,2,0,0,0,0|2,0,0]=4 86 B11R1.1 COCCc1ccc(O)cc1 T0635 [0,2,0,0,0,0|2,0,0]=4 87 B11R1.1 OCCCc1ccc(O)cc1 T3738 [0,2,0,0,0,0|2,0,0]=4 88 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [0,2,0,0,0,0|1,0,1]=4 89 B11R1.22 CCC(C)c1ccc(O)cc1 T12515 [0,2,0,0,0,0|2,0,0]=4 90 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,2,0,0,0,0|2,0,0]=4 91 B11R1.81 CCCc1ccc(C)cc1O T33238 [0,2,0,0,0,0|1,0,0]=3 92 B11R1.83 COc1ccc(C=CC)cc1 T0014 [0,2,0,0,0,0|1,0,1]=4 93 B11R1.83 COc1ccc(CC=C)cc1 T5649 [0,2,0,0,0,0|1,0,1]=4 94 B11R1.83 COc1ccc(cc1)/C=C/C T0762 [0,2,0,0,0,0|1,0,1]=4 95 B11R1.192 C1=CC(=C(C=C1CCN)O)O T9077 [0,2,0,0,0,0|2,0,0]=4 96 B11R1.192 NCCc1ccc(O)c(O)c1 T1644 [0,2,0,0,0,0|2,0,0]=4 97 B11R1.192 OCCc1ccc(O)c(O)c1 T3412 [0,2,0,0,0,0|2,0,0]=4 98 B11R1.3 CC(C)c1ccc(C=O)cc1 T7441 [0,2,0,0,0,0|1,0,1]=4 99 B11R1.3 CC(C)c1ccc(CO)cc1 T7442 [0,2,0,0,0,0|1,0,0]=3 100 B11R1.3 COc1ccc(cn1)C(N)=O T8106 [0,2,0,0,0,0|1,0,1]=4 101 B11R1.279 CCc1ccc(OC)c(O)c1 T32841 [0,2,0,0,0,0|1,0,0]=3 102 B11R1.279 COc1ccc(CO)cc1O TN6810 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.21 CC(C)C1=CC(=C(C=C1)O)O T9065 [0,2,0,0,0,0|2,0,0]=4 104 B11R1.21 CC(C)c1ccc(C)c(O)c1 T4S1990 [0,2,0,0,0,0|1,0,0]=3 105 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,2,0,0,0,0|1,0,1]=4 106 B11R1.166 CC(C)c1ccc(C)cc1O T3S0717 [0,2,0,0,0,0|1,0,0]=3 107 B11R1.278 Cc1ncc(CO)c(C)c1O T38294 [0,2,0,0,0,0|1,0,0]=3 108 B11R1.14 CCc1cc(O)c(C)c(=O)o1 TN4497 [0,2,0,0,0,0|2,0,0]=4 109 B11R1.280 CCc1ccc(O)c(OC)c1 TN6935 [0,2,0,0,0,0|2,0,0]=4 110 B7R1.1 COc1ccoc1 TN2959 [1,0,0,0,1,0|2,0,0]=4 111 B7R1.2 Cc1cc(N)no1 T0644 [1,0,0,0,1,0|2,0,0]=4 112 B7R1.2 Cn1ccc(N)n1 T3295 [1,0,0,0,1,0|2,0,0]=4