0 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.13 CC(C)C1=CC=C(C)CC1 T7909 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.13 CC(C)C1=CCC(C)=CC1 TN2031 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.13 CC(C)C1CC=C(C)C=C1 TN6990 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.13 CC(C)[C@H]1CC=C(C)C=C1 T8289 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [0,0,0,0,0,0|1,0,1]=2 8 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.13 Nc1ccc(cn1)C(O)=O T7919 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.13 OC(=O)c1ccc(=O)[nH]c1 T4816 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.13 OC(=O)c1ccc(=O)oc1 T7962 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.1 CCc1ccc(O)cc1 T5883 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.1 COc1ccc(F)cc1 T0528 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.1 COc1ccc(O)cc1 T0501 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.1 NCc1ccc(O)cc1 T21095 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.1 NNc1ccc(Cl)cc1 T3167 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.1 OCc1ccc(O)cc1 T3752 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.1 OCc1ccc(cn1)O T40502 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.1 Oc1ccc(C=C)cc1 T13509 [1,0,0,0,0,0|1,0,2]=4 22 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [1,0,0,0,0,0|1,0,2]=4 23 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,0,0|0,0,2]=3 24 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,0,0|0,0,0]=1 25 B9R1.6 NC(=N)c1ccccc1 T8362 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.6 NC(=O)c1ccccc1 T6780 [1,0,0,0,0,0|1,0,2]=4 27 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [1,0,0,0,0,0|2,0,1]=4 28 B9R1.6 OB(O)c1ccccc1 T30355 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.6 OC(=O)c1ccccc1 T0833 [1,0,0,0,0,0|1,0,1]=3 30 B9R1.6 OC(=O)c1ccccn1 T4850 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.6 OC(=O)c1cccnc1 T0879 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.6 OC(=O)c1ccncc1 Fr13756 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.6 OP(=O)c1ccccc1 T20416 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [1,0,0,0,0,0|1,0,2]=4 35 B11R1.3 CC(C)c1ccc(C=O)cc1 T7441 [0,1,0,0,0,0|1,0,1]=3 36 B11R1.3 CC(C)c1ccc(CO)cc1 T7442 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.3 COc1ccc(cc1)C(O)=O TCS0862 [0,1,0,0,0,0|1,0,1]=3 38 B11R1.3 NCc1ccc(cc1)C(O)=O T1252 [0,1,0,0,0,0|1,0,1]=3 39 B11R1.3 OC(=O)c1ccc(C=O)cc1 T1691 [0,1,0,0,0,0|1,0,2]=4 40 B11R1.19 Cc1ccc(cc1)S(O)(=O)=O T19499 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.19 Nc1ccc(cc1)[SbH](O)(O)[O-] T34719 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.19 Nc1ccc(cc1)[Sb](O)(O)=O T33637 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.21 CC(=O)c1ccc(O)c(O)c1 T3734 [0,1,0,0,0,0|1,0,2]=4 44 B11R1.21 CC(C)C1=CC(=C(C=C1)O)O T9065 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.21 CC(C)c1ccc(C)c(O)c1 T4S1990 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.21 Cc1cc(ccc1O)C(O)=O T5298 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.21 Cc1ccc(cc1C)C(O)=O T19115 [0,1,0,0,0,0|1,0,1]=3 48 B11R1.21 Nc1cc(ccc1O)C(O)=O T4770 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.21 OC(=O)c1ccc(Br)c(O)c1 T7454 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.21 OC(=O)c1ccc(O)c(O)c1 T0562 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.22 C/C(=N\O)c1ccc(O)cc1 T10143 [0,1,0,0,0,0|1,0,1]=3 52 B11R1.22 CCC(C)c1ccc(O)cc1 T12515 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,1,0,0,0,0|1,0,2]=4 54 B11R1.22 Clc1ccc(cc1)C(=O)CBr T8908 [0,1,0,0,0,0|1,0,2]=4 55 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.22 Oc1ccc(cc1)C(=O)CBr T7084 [0,1,0,0,0,0|1,0,2]=4 57 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,1,0,0,0,0|0,0,2]=3 58 B11R1.166 CC(=O)c1ccc(O)cc1O T3751 [0,1,0,0,0,0|1,0,2]=4 59 B11R1.166 CC(C)c1ccc(C)cc1O T3S0717 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.166 Cc1ccc(C(O)=O)c(O)c1 T22225 [0,1,0,0,0,0|1,0,1]=3 61 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T0441 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.166 Nc1ccc(C(O)=O)c(O)c1 T1296 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.166 OC(=O)c1ccc(Cl)cc1O T0666 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.166 OC(=O)c1ccc(O)cc1O T5890 [0,1,0,0,0,0|2,0,1]=4 65 B9R0.1 C/C(C)=C/CC=C(C)C=C TN6815 [0,0,1,0,0,0|1,0,2]=4 66 B9R0.1 C\C(C)=C/C=C/C(C)=C/C T20298 [0,0,1,0,0,0|1,0,2]=4 67 B9R1.35 CC(=O)c1ccc(C)s1 T20602 [0,0,0,0,1,0|1,0,2]=4 68 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [0,0,0,0,0,1|0,0,2]=3 69 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,0,0,0,0,1|1,0,2]=4 70 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [0,0,0,0,0,1|1,0,2]=4 71 B11R1.20 OC(=O)Cc1ccc(O)cc1 T3743 [0,0,0,0,0,1|2,0,1]=4 72 B11R1.565 CC(C)c1cccc(=O)cc1 T19475 [0,0,0,0,0,1|2,0,0]=3 73 B8R1.2 NCc1ccccc1 TN3497 [2,0,0,0,0,0|1,0,0]=3 74 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.2 O=Cc1ccccc1 TWO2659 [2,0,0,0,0,0|0,0,2]=4 76 B8R1.2 OCc1ccccc1 T0732 [2,0,0,0,0,0|0,0,0]=2 77 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|1,0,0]=3 78 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|1,0,0]=3 79 B8R1.3 Cc1cnc(C)cn1 T4801 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.3 Clc1ccc(Cl)cc1 T7431 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.1 c1cc(ccc1CCN)O T3095 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.3 COc1ccc(C=O)cc1 T7910 [1,1,0,0,0,0|0,0,2]=4 87 B10R1.3 COc1ccc(CO)cc1 T20309 [1,1,0,0,0,0|0,0,0]=2 88 B10R1.25 CCc1ccc(C)cc1O T29345 [1,1,0,0,0,0|0,0,0]=2 89 B10R1.25 CSc1ccc(C)cc1O T33232 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.25 Cc1ccc(C=O)c(O)c1 T36786 [1,1,0,0,0,0|0,0,2]=4 91 B10R1.176 NCc1ccc(O)c(O)c1 T10104 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.176 OCc1cc(=O)c(O)co1 T5889 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.15 CC(NN)c1ccccc1 T33268 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.15 CNC(=O)c1ccccc1 T12150 [1,1,0,0,0,0|0,0,2]=4 95 B10R1.15 N#C[C@@H](c1ccccc1)O T9158 [1,1,0,0,0,0|0,0,1]=3 96 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|0,0,0]=2 97 B10R1.15 OC(C=C)c1ccccc1 T50007 [1,1,0,0,0,0|0,0,1]=3 98 B10R1.15 OCC(O)c1ccccc1 T1346 [1,1,0,0,0,0|0,0,0]=2 99 B10R1.28 OS(=O)(=O)c1ccccc1 T20417 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.61 CC(=O)c1ccccc1C T36788 [1,1,0,0,0,0|0,0,2]=4 101 B10R1.61 CC(=O)c1ccccc1Cl T20449 [1,1,0,0,0,0|0,0,2]=4 102 B10R1.61 CC(=O)c1ccccc1O TCS1856 [1,1,0,0,0,0|0,0,2]=4 103 B10R1.61 Cc1ccccc1C(O)=O T8068 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.61 OC(=O)c1ccccc1I T20881 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.61 OC(=O)c1ccccc1O T0649 [1,1,0,0,0,0|1,0,1]=4 106 B10R1.61 OC(=O)c1ccccc1O T27597 [1,1,0,0,0,0|1,0,1]=4 107 B10R1.113 CC(=C)c1cccc(C)c1 T33400 [1,1,0,0,0,0|1,0,1]=4 108 B10R1.113 CC(=O)c1cccc(O)c1 T20389 [1,1,0,0,0,0|0,0,2]=4 109 B10R1.113 CC(C)c1cccc(C)c1 TN6950 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.113 CC(O)c1cccc(N)c1 T21106 [1,1,0,0,0,0|0,0,0]=2 111 B10R1.113 CN(C)c1cccc(C)c1 T21088 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.113 OC(=O)c1cccc(O)c1 T4840 [1,1,0,0,0,0|1,0,1]=4 113 B12R1.4 COc1ccc(CC(O)=O)cc1 T5590 [0,1,0,0,0,1|1,0,1]=4 114 B12R1.19 CC(=O)Oc1ccc(C)c(C)c1 T29381 [0,1,0,0,0,1|0,0,2]=4 115 B12R1.19 CC(N)Cc1ccc(C)c(C)c1 T24217 [0,1,0,0,0,1|1,0,0]=3 116 B12R1.19 CC(N)Cc1ccc(C)c(O)c1 T27523 [0,1,0,0,0,1|1,0,0]=3 117 B12R1.106 CC(C)(N)Cc1ccc(Cl)cc1 T30901 [0,1,0,0,0,1|2,0,0]=4 118 B12R1.106 CC1=CC=C(OS(=O)(O)=O)C=C1 T21977 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.1021 CC(C)c1cccc(=O)c(O)c1 T3717 [0,1,0,0,0,1|2,0,0]=4 120 B12R1.5 COC(=O)c1ccc(OC)cc1 T20257 [0,2,0,0,0,0|0,0,2]=4 121 B12R1.5 COc1ccc(cc1)C(=O)CBr T7541 [0,2,0,0,0,0|0,0,2]=4 122 B12R1.48 COc1ccc(cc1O)C(C)=O T10112 [0,2,0,0,0,0|0,0,2]=4 123 B12R1.48 COc1ccc(cc1O)C(O)=O T5767 [0,2,0,0,0,0|1,0,1]=4 124 B12R1.113 CCOc1ccc(cc1)C(O)=O T20455 [0,2,0,0,0,0|1,0,1]=4 125 B12R1.256 CC(=O)c1ccc(cc1)S(C)=O T8870 [0,2,0,0,0,0|0,0,2]=4 126 B12R1.256 CC(C)c1ccc(cc1)C(O)=O T20488 [0,2,0,0,0,0|1,0,1]=4 127 B12R1.452 COc1ccc(C(C)=O)c(O)c1 T2900 [0,2,0,0,0,0|0,0,2]=4 128 B12R1.452 COc1ccc(C(O)=O)c(O)c1 T2A2428 [0,2,0,0,0,0|1,0,1]=4 129 B12R1.126 Cc1cc(O)ccc1C(C)(C)C T34182 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.126 Cc1ccc(c(O)c1)C(C)(C)O TN5868 [0,2,0,0,0,0|0,0,0]=2 131 B12R1.232 CC(C)C1=CC(=O)C(C)=CC1=O T4088 [0,2,0,0,0,0|1,0,0]=3 132 B12R1.232 CC(C)c1cc(Cl)c(C)cc1O T20242 [0,2,0,0,0,0|1,0,0]=3 133 B12R1.367 NCC(O)c1ccc(O)c(O)c1 T13655 [0,2,0,0,0,0|1,0,0]=3 134 B12R1.367 NCC(O)c1ccc(O)c(O)c1 T21066 [0,2,0,0,0,0|1,0,0]=3 135 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T0871 [0,2,0,0,0,0|1,0,0]=3 136 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T1064 [0,2,0,0,0,0|1,0,0]=3 137 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T20173 [0,2,0,0,0,0|1,0,0]=3 138 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T7044 [0,2,0,0,0,0|1,0,0]=3 139 B12R1.367 OCC(c1ccc(c(c1)O)O)O TQ0281 [0,2,0,0,0,0|1,0,0]=3 140 B12R1.1005 Cc1c(O)cc(cc1O)C(O)=O TN1239 [0,2,0,0,0,0|1,0,1]=4 141 B12R1.16 C(c1ccc(cc1)O)(CNC)O T6688 [0,2,0,0,0,0|1,0,0]=3 142 B12R1.16 CNCC(O)c1ccc(O)cc1 T1287 [0,2,0,0,0,0|1,0,0]=3 143 B12R1.57 COc1cc(C)ccc1C(C)C TN6884 [0,2,0,0,0,0|1,0,0]=3 144 B12R2.612 OB1OCc2cc(Cl)ccc12 T4040 [0,1,0,1,0,0|2,0,0]=4 145 B12R2.612 OB1OCc2cc(F)ccc12 T3349 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,0,0,0,1|0,0,2]=4 147 B10R1.18 CC(=S)Nc1ccccc1 T20263 [1,0,0,0,0,1|0,1,1]=4 148 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,0,0,0,0,1|1,0,0]=3 149 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,0,0,0,0,1|1,0,0]=3 150 B12R1.21 CC(=O)OCc1ccc(C)cc1 T20468 [0,0,0,0,0,2|0,0,2]=4 151 B12R1.21 CC1=CC=C(C=C1)\C=C\C(=O)O PDK0101 [0,0,0,0,0,2|1,0,1]=4 152 B12R1.21 C[C@@H](O)CCc1ccc(O)cc1 T19924 [0,0,0,0,0,2|1,0,0]=3 153 B12R1.21 C[C@H](O)CCc1ccc(O)cc1 TN4909 [0,0,0,0,0,2|1,0,0]=3 154 B12R1.21 c1(ccc(cc1)CC[C@@H](O)C)O T34321 [0,0,0,0,0,2|1,0,0]=3