0 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.1 NCCc1ccc(O)cc1 T7851 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.1 OCCc1ccc(O)cc1 T2861 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.1 c1cc(ccc1CCN)O T3095 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.1 CCc1ccc(O)cc1 T5883 [1,0,0,0,0,0|0,0,0]=1 6 B9R1.1 COc1ccc(F)cc1 T0528 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.1 COc1ccc(O)cc1 T0501 [1,0,0,0,0,0|0,0,0]=1 8 B9R1.1 NCc1ccc(O)cc1 T21095 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.1 NNc1ccc(Cl)cc1 T3167 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.1 OCc1ccc(O)cc1 T3752 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.1 OCc1ccc(cn1)O T40502 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.1 Oc1ccc(C=C)cc1 T13509 [1,0,0,0,0,0|0,0,2]=3 13 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.8 CCOc1ccccc1 T19753 [1,0,0,0,0,0|0,0,0]=1 15 B9R1.8 CNCc1ccccc1 T8016 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 NCCc1ccccc1 T2935 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.8 NCCc1ccccc1 T7433 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 NCCc1ccccn1 T22501 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.8 O/N=C/c1ccccc1 T20350 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.8 O=CCc1ccccc1 TCS1857 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.8 OCCc1ccccc1 T0011 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.8 OCCc1ccccn1 T0658 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.1 CCOCc1ccc(O)cc1 TN3029 [0,1,0,0,0,0|0,0,0]=1 24 B11R1.1 COCCc1ccc(O)cc1 T0635 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.1 OCC=Cc1ccc(O)cc1 TN2028 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.1 OCCCc1ccc(O)cc1 T3738 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,1,0,0,0,0|1,0,1]=3 29 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [0,1,0,0,0,0|0,0,1]=2 30 B11R1.20 OC(=O)Cc1ccc(O)cc1 T3743 [0,1,0,0,0,0|2,0,1]=4 31 B11R1.22 C/C(=N\O)c1ccc(O)cc1 T10143 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.22 CCC(C)c1ccc(O)cc1 T12515 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.22 COC(=O)c1ccc(O)cn1 T40388 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.22 Clc1ccc(cc1)C(=O)CBr T8908 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.22 Oc1ccc(cc1)C(=O)C=O T32102 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.22 Oc1ccc(cc1)C(=O)CBr T7084 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.81 CCCc1ccc(C)cc1O T33238 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.81 Oc1ccc(CC#N)c(O)c1 TN2721 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.83 COc1ccc(C=CC)cc1 T0014 [0,1,0,0,0,0|1,0,1]=3 42 B11R1.83 COc1ccc(CC=C)cc1 T5649 [0,1,0,0,0,0|1,0,2]=4 43 B11R1.83 COc1ccc(cc1)/C=C/C T0762 [0,1,0,0,0,0|1,0,1]=3 44 B11R1.192 C1=CC(=C(C=C1CCN)O)O T9077 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.192 NCCc1ccc(O)c(O)c1 T1644 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.192 OCCc1ccc(O)c(O)c1 T3412 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.192 Oc1ccc(CC=C)cc1O TN1274 [0,1,0,0,0,0|1,0,2]=4 48 B9R0.48 CCOC(=O)/C=C/C(O)=O TN6813 [0,0,1,0,0,0|2,0,0]=3 49 B11R2.36 Oc1ccc2OCOc2c1 T3676 [0,0,0,1,0,0|1,0,0]=2 50 B11R2.36 Oc1ccc2cc[nH]c2c1 T5682 [0,0,0,1,0,0|2,0,1]=4 51 B8R0.9 COC(=O)/C=C/C(O)=O T12095 [1,0,1,0,0,0|2,0,0]=4 52 B8R1.2 COc1cnccn1 TN6755 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.2 NCc1ccccc1 TN3497 [2,0,0,0,0,0|1,0,0]=3 54 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.2 O=Cc1ccccc1 TWO2659 [2,0,0,0,0,0|1,0,1]=4 56 B8R1.2 OCc1ccccc1 T0732 [2,0,0,0,0,0|1,0,0]=3 57 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.3 Clc1ccc(Cl)cc1 T7431 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.3 COc1ccc(C=O)cc1 T7910 [1,1,0,0,0,0|0,0,1]=3 61 B10R1.3 COc1ccc(CO)cc1 T20309 [1,1,0,0,0,0|0,0,0]=2 62 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [1,1,0,0,0,0|0,0,1]=3 64 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.25 CCc1ccc(C)cc1O T29345 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.25 CSc1ccc(C)cc1O T33232 [1,1,0,0,0,0|1,1,0]=4 69 B10R1.25 Oc1ccc(C=O)c(O)c1 TN7051 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.176 NCc1ccc(O)c(O)c1 T10104 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.176 OCc1cc(=O)c(O)co1 T5889 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.176 Oc1ccc(C=O)cc1O T3018 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.4 CCOc1ccccc1Br T20308 [1,1,0,0,0,0|0,0,0]=2 74 B10R1.4 CSCc1ccccc1O T33357 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.10 CCOc1cccc(O)c1 T20297 [1,1,0,0,0,0|0,0,0]=2 76 B10R1.10 NCCc1cccc(O)c1 T11937 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.10 NCCc1cccc(O)c1 T11937L [1,1,0,0,0,0|2,0,0]=4 78 B10R1.15 CCC(C1=CC=NC=C1)=O T20581 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.15 CNC(=O)c1ccccc1 T12150 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.15 OCC(O)c1ccccc1 T1346 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.17 CCOCc1ccccc1 T36790 [1,1,0,0,0,0|0,0,0]=2 83 B10R1.17 CNCCc1ccccn1 T0246 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.17 CNCCc1ccccn1 T0246L [1,1,0,0,0,0|2,0,0]=4 85 B10R1.17 CNCCc1ccccn1 T4195 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.17 NNCCc1ccccc1 T12441 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.17 NNCCc1ccccc1 T50010 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.17 O=CCCc1ccccc1 T20312 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.17 OC/C=C/c1ccccc1 TN2982 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.17 OCC=Cc1ccccc1 T5S1550 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.17 OCCCc1ccccc1 T3754 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.17 OCCOc1ccccc1 T20293 [1,1,0,0,0,0|0,0,0]=2 93 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,1,0,0,0,0|0,0,1]=3 94 B10R1.18 CC(=S)Nc1ccccc1 T20263 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,1,0,0,0,0|1,0,0]=3 97 B12R1.1 CCCCOc1ccc(O)cc1 T1350 [0,2,0,0,0,0|0,0,0]=2 98 B12R1.16 C(c1ccc(cc1)O)(CNC)O T6688 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.16 CCCC(=O)c1ccc(F)cc1 T3679 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.16 CCOC(=O)c1ccc(N)cc1 T0924 [0,2,0,0,0,0|1,0,0]=3 101 B12R1.16 CCOC(=O)c1ccc(N)cc1 T6782 [0,2,0,0,0,0|1,0,0]=3 102 B12R1.16 CCOC(=O)c1ccc(O)cc1 T0834 [0,2,0,0,0,0|0,0,0]=2 103 B12R1.16 CNCC(O)c1ccc(O)cc1 T1287 [0,2,0,0,0,0|1,0,0]=3 104 B12R1.16 OCCC(=O)c1ccc(O)cc1 TN5924 [0,2,0,0,0,0|1,0,0]=3 105 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,2,0,0,0,0|1,0,0]=3 106 B12R1.21 CC(=O)OCc1ccc(C)cc1 T20468 [0,2,0,0,0,0|1,0,1]=4 107 B12R1.21 CC(=O)OCc1ccc(Cl)cc1 T33897 [0,2,0,0,0,0|1,0,1]=4 108 B12R1.21 CN(C)CCc1ccc(O)cc1 T2890 [0,2,0,0,0,0|1,0,0]=3 109 B12R1.21 C[C@@H](O)CCc1ccc(O)cc1 T19924 [0,2,0,0,0,0|1,0,0]=3 110 B12R1.21 C[C@H](O)CCc1ccc(O)cc1 TN4909 [0,2,0,0,0,0|1,0,0]=3 111 B12R1.21 OC(=O)CCc1ccc(O)cc1 T2862 [0,2,0,0,0,0|1,0,1]=4 112 B12R1.21 OC(=O)COc1ccc(Cl)cc1 T30866 [0,2,0,0,0,0|1,0,1]=4 113 B12R1.21 c1(ccc(cc1)CC[C@@H](O)C)O T34321 [0,2,0,0,0,0|1,0,0]=3 114 B12R1.49 CCC(=O)Nc1ccc(O)cc1 T19140 [0,2,0,0,0,0|1,0,0]=3 115 B12R1.49 COC(=O)Cc1ccc(O)cc1 TN1436 [0,2,0,0,0,0|1,0,1]=4 116 B12R1.69 CCCCc1ccc(C)cc1O T33233 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.69 CCCCc1ccc(O)cc1O T7125 [0,2,0,0,0,0|1,0,0]=3 118 B12R1.69 Nc1ccc(OCCO)c(N)c1 T5672 [0,2,0,0,0,0|1,0,0]=3 119 B12R1.71 COc1ccc(/C=C/CO)cc1 TN3049 [0,2,0,0,0,0|1,0,1]=4 120 B12R1.19 CC(=O)Nc1ccc(O)c(C)c1 T29415 [0,2,0,0,0,0|1,0,1]=4 121 B12R1.19 CC(=O)Nc1ccc(O)c(O)c1 T19175 [0,2,0,0,0,0|1,0,1]=4 122 B12R1.19 CC(=O)Oc1ccc(C)c(C)c1 T29381 [0,2,0,0,0,0|1,0,1]=4 123 B12R1.19 CC(N)Cc1ccc(C)c(C)c1 T24217 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.19 CC(N)Cc1ccc(C)c(O)c1 T27523 [0,2,0,0,0,0|2,0,0]=4 125 B12R1.106 CC(C)(N)Cc1ccc(Cl)cc1 T30901 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.5 COC(=O)c1ccc(OC)cc1 T20257 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.5 COc1ccc(cc1)C(=O)CBr T7541 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.367 COC(=O)c1cc(O)c(O)cc1 T1368 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.367 NCC(O)c1ccc(O)c(O)c1 T13655 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.367 NCC(O)c1ccc(O)c(O)c1 T21066 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T0871 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T1064 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T20173 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T7044 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.367 OCC(c1ccc(c(c1)O)O)O TQ0281 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.1703 COC(=O)c1ccc(O)cc1O TN6707 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.112 CCOc1ccc(N)cc1OC T34117 [0,2,0,0,0,0|1,0,0]=3 138 B12R1.114 CCNc1ccc(cc1C)[N+]#N T31237 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.1123 NCCc1cc(O)c(O)cc1O T12352 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.1123 NCCc1cc(O)c(O)cc1O T12352L [0,2,0,0,0,0|2,0,0]=4 141 B12R1.113 CCOc1ccc(cc1)C(O)=O T20455 [0,2,0,0,0,0|0,0,0]=2 142 B12R1.44 NCCc1cc(O)c(O)c(O)c1 T13512 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.286 COc1cc(C=CC)ccc1O T2S0493 [0,2,0,0,0,0|1,0,1]=4 144 B12R1.286 COc1cc(CCN)ccc1O T4710 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.286 COc1cc(CCN)ccc1O T8269 [0,2,0,0,0,0|2,0,0]=4 146 B12R1.286 COc1cc(CCO)ccc1O TN1742 [0,2,0,0,0,0|2,0,0]=4 147 B10R2.7 C1Cc2ccccc2O1 Fr14127 [1,0,0,1,0,0|0,0,0]=2 148 B12R2.606 Oc1ccc2NC(=O)Cc2c1 T37710 [0,1,0,1,0,0|1,0,1]=4