0 B11R1.280 CCc1ccc(O)c(OC)c1 TN6935 [0,0,0,0,0,0|1,0,1]=2 1 B11R1.280 COc1cc(C=C)ccc1O T8197 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.280 COc1cc(C=O)ccc1O T6717 [0,0,0,0,0,0|0,0,0]=0 3 B11R1.280 COc1cc(CN)ccc1O T1356 [0,0,0,0,0,0|1,0,1]=2 4 B11R1.280 COc1cc(CO)ccc1O T2860 [0,0,0,0,0,0|0,0,2]=2 5 B10R1.30 CCc1nc(C)ccc1O T7875 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.30 CCc1nc(C)ccc1O T8624 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.30 COc1cc(C)ccc1O T20446 [1,0,0,0,0,0|0,0,1]=2 8 B10R1.30 COc1cc(N)ccc1O T21072 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.172 CCc1cccc(C=C)c1 T34728 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.172 CCc1cccc(C=O)c1 T21173 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.172 O=Cc1cccc(c1)C#N T21188 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.176 NCc1ccc(O)c(O)c1 T10104 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.176 Oc1ccc(C=O)cc1O T3018 [1,0,0,0,0,0|0,0,0]=1 14 B12R1.56 COc1cc(ccc1O)C(C)=O T6391 [0,1,0,0,0,0|0,0,0]=1 15 B12R1.56 COc1cc(ccc1O)C(O)=O T9115 [0,1,0,0,0,0|0,0,0]=1 16 B12R1.78 COc1ccc(C=O)cc1OC T5657 [0,1,0,0,0,0|0,0,0]=1 17 B12R1.78 COc1ccc(CO)cc1OC T0657 [0,1,0,0,0,0|0,0,2]=3 18 B12R1.270 CCOc1cc(C=O)ccc1O T0491 [0,1,0,0,0,0|0,0,0]=1 19 B12R1.286 COc1cc(C=CC)ccc1O T2S0493 [0,1,0,0,0,0|1,0,0]=2 20 B12R1.286 COc1cc(CC=C)ccc1O T1297 [0,1,0,0,0,0|1,0,0]=2 21 B12R1.286 COc1cc(CCN)ccc1O T4710 [0,1,0,0,0,0|1,0,1]=3 22 B12R1.286 COc1cc(CCN)ccc1O T8269 [0,1,0,0,0,0|1,0,1]=3 23 B12R1.286 COc1cc(CCO)ccc1O TN1742 [0,1,0,0,0,0|0,0,2]=3 24 B12R1.453 COc1ccc(O)c(c1)C(C)=O T3760 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.2 CCc1cccc(N)c1 T21169 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.2 CCc1cccc(O)c1 T21170 [2,0,0,0,0,0|1,0,1]=4 27 B9R1.2 CNc1cccc(C)c1 T0557 [2,0,0,0,0,0|1,0,1]=4 28 B9R1.2 COc1cccc(Br)c1 T21218 [2,0,0,0,0,0|1,0,0]=3 29 B9R1.2 COc1cccc(C)c1 T21278 [2,0,0,0,0,0|0,0,1]=3 30 B9R1.2 COc1cccc(O)c1 T20294 [2,0,0,0,0,0|0,0,1]=3 31 B9R1.2 Cc1cccc(c1)[I]=O T32169 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.2 Fc1cccc(C=O)c1 T21180 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.2 OCc1cccc(O)c1 T4760 [2,0,0,0,0,0|0,0,2]=4 34 B9R1.2 Oc1cccc(C=O)c1 T4778 [2,0,0,0,0,0|0,0,0]=2 35 B9R1.15 COc1ccccc1O T1301 [2,0,0,0,0,0|0,0,0]=2 36 B9R1.15 NCc1ccccc1O T41358 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.15 OCc1ccccc1O T0311 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.69 Cc1cc(O)ccc1N T21284 [2,0,0,0,0,0|1,0,1]=4 39 B9R1.69 Cc1cc(ccc1O)O TN4871 [2,0,0,0,0,0|0,0,1]=3 40 B9R1.69 Cc1ccc(N)c(C)c1 T21114 [2,0,0,0,0,0|1,0,1]=4 41 B9R1.69 Cc1ccc(O)c(N)c1 T9441 [2,0,0,0,0,0|1,0,1]=4 42 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [2,0,0,0,0,0|0,0,1]=3 43 B9R1.69 Nc1ccc(F)cc1O T1370 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.69 OC1=CC=C(Cl)C=C1O T39598 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.69 Oc1cc(=O)[nH]cc1Cl T0987 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.1 CCc1ccc(O)cc1 T5883 [2,0,0,0,0,0|1,0,1]=4 47 B9R1.1 COc1ccc(O)cc1 T0501 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.1 NCc1ccc(O)cc1 T21095 [2,0,0,0,0,0|1,0,1]=4 49 B9R1.1 OCc1ccc(O)cc1 T3752 [2,0,0,0,0,0|0,0,2]=4 50 B9R1.1 Oc1ccc(C=C)cc1 T13509 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [2,0,0,0,0,0|0,0,0]=2 52 B11R1.37 COc1ccc(O)cc1OC T3745 [1,1,0,0,0,0|0,0,1]=3 53 B11R1.167 CC(=O)c1cc(O)ccc1O TCS2170 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.9 COc1cc(C)cc(OC)c1 TN6822 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.9 COc1cc(O)cc(OC)c1 T7438 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.189 CCOc1cccc(C=O)c1 T21171 [1,1,0,0,0,0|0,0,0]=2 57 B11R1.189 COc1cccc(CCN)c1 T7855 [1,1,0,0,0,0|1,0,1]=4 58 B11R1.266 COc1cccc(c1)C(N)=O T7439 [1,1,0,0,0,0|0,0,0]=2 59 B11R1.266 COc1cccc(c1)C(O)=O T5982 [1,1,0,0,0,0|0,0,0]=2 60 B11R1.267 COc1cccc(C=O)c1O TN6748 [1,1,0,0,0,0|0,0,0]=2 61 B11R1.267 COc1cccc(OC)c1O TN5088 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.14 Oc1cc(C=O)cc(O)c1O T7972 [1,1,0,0,0,0|0,0,0]=2 63 B11R1.21 CC(=O)c1ccc(O)c(O)c1 T3734 [1,1,0,0,0,0|0,0,0]=2 64 B11R1.21 CC(C)C1=CC(=C(C=C1)O)O T9065 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.21 Cc1cc(ccc1O)C(O)=O T5298 [1,1,0,0,0,0|0,0,0]=2 66 B11R1.21 Cc1ccc(cc1C)C(O)=O T19115 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.21 Cn1cc(ccc1=O)C(N)=O T8150 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.21 Cn1cc(ccc1=O)C(O)=O T6981 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.21 Nc1cc(ccc1O)C(O)=O T4770 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.21 OC(=O)c1ccc(Br)c(O)c1 T7454 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.21 OC(=O)c1ccc(O)c(O)c1 T0562 [1,1,0,0,0,0|0,0,0]=2 72 B11R1.21 Oc1ccc(cc1Cl)[N+]([O-])=O T9443 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.192 C1=CC(=C(C=C1CCN)O)O T9077 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.192 NCCc1ccc(O)c(O)c1 T1644 [1,1,0,0,0,0|1,0,1]=4 75 B11R1.192 OCCc1ccc(O)c(O)c1 T3412 [1,1,0,0,0,0|0,0,2]=4 76 B11R1.192 Oc1ccc(CC=C)cc1O TN1274 [1,1,0,0,0,0|1,0,0]=3 77 B11R1.279 CCc1ccc(OC)c(O)c1 T32841 [1,1,0,0,0,0|1,0,1]=4 78 B11R1.279 COc1ccc(C=O)cc1O T3740 [1,1,0,0,0,0|0,0,0]=2 79 B11R1.279 COc1ccc(CO)cc1O TN6810 [1,1,0,0,0,0|0,0,2]=4 80 B13R1.13 CC(=O)c1ccc(O)c(c1)C(O)=O T2735 [0,2,0,0,0,0|2,0,0]=4 81 B13R1.13 OC(=O)c1ccc(O)c(c1)C(O)=O T0553 [0,2,0,0,0,0|2,0,0]=4 82 B13R1.49 COC(=O)c1ccc(O)c(OC)c1 T2818 [0,2,0,0,0,0|0,0,0]=2 83 B13R1.49 COc1cc(ccc1O)C(O)CN T4945 [0,2,0,0,0,0|0,0,2]=4 84 B13R1.50 COc1c(O)ccc(c1)S(=O)(=O)[O-] T0284 [0,2,0,0,0,0|1,0,0]=3 85 B13R1.298 COc1cc(cc(O)c1O)C(O)=O TN1237 [0,2,0,0,0,0|0,0,0]=2 86 B13R1.3091 COc1ccc(cc1OC)C(N)=O T39007 [0,2,0,0,0,0|0,0,0]=2 87 B13R1.3091 COc1ccc(cc1OC)C(O)=O T3744 [0,2,0,0,0,0|0,0,0]=2 88 B13R1.3230 COc1c(O)ccc(C(C)=O)c1O TN2717 [0,2,0,0,0,0|0,0,0]=2 89 B13R1.386 COc1ccc(/C=C/C)cc1OC TN5166 [0,2,0,0,0,0|1,0,0]=3 90 B13R1.386 COc1ccc(/C=C\C)cc1OC TN3666 [0,2,0,0,0,0|1,0,0]=3 91 B13R1.386 COc1ccc(C=CC)cc1OC T5661 [0,2,0,0,0,0|1,0,0]=3 92 B13R1.386 COc1ccc(CC#N)cc1OC T0563 [0,2,0,0,0,0|1,0,1]=4 93 B13R1.386 COc1ccc(CC=C)cc1OC T3S2259 [0,2,0,0,0,0|1,0,0]=3 94 B13R1.386 COc1ccc(CCN)cc1OC T9326 [0,2,0,0,0,0|1,0,1]=4 95 B13R1.52 COc1cc(CC(O)=O)ccc1O T3S0507 [0,2,0,0,0,0|0,0,0]=2 96 B13R1.575 COc1cc(/C=C/C=O)ccc1O TN3694 [0,2,0,0,0,0|0,0,0]=2 97 B13R1.575 COc1cc(/C=C/CO)ccc1O TL0010 [0,2,0,0,0,0|0,0,1]=3 98 B13R1.575 COc1cc(C=CC=O)ccc1O T2S1907 [0,2,0,0,0,0|0,0,0]=2 99 B13R1.575 COc1cc(CCCO)ccc1O TN1578 [0,2,0,0,0,0|0,0,2]=4 100 B13R1.433 COc1cc(C=C)cc(OC)c1O TN7025 [0,2,0,0,0,0|1,0,0]=3 101 B13R1.433 COc1cc(C=O)cc(OC)c1O T3747 [0,2,0,0,0,0|0,0,0]=2 102 B13R1.433 COc1cc(CO)cc(OC)c1O T8018 [0,2,0,0,0,0|0,0,2]=4 103 B11R2.36 Oc1ccc2OCOc2c1 T3676 [1,0,0,1,0,0|0,0,1]=3 104 B13R2.430 C1=CC2=C(C=C1C(=O)O)OC=N2 T9082 [0,1,0,1,0,0|1,0,1]=4 105 B13R2.430 OC(=O)c1ccc2OCOc2c1 TN6848 [0,1,0,1,0,0|0,0,0]=2