0 B9R1.1 CCc1ccc(O)cc1 T5883 [0,0,0,0,0,0|0,0,2]=2 1 B9R1.1 COc1ccc(F)cc1 T0528 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.1 COc1ccc(O)cc1 T0501 [0,0,0,0,0,0|1,0,1]=2 3 B9R1.1 O=Cc1ccc(O)cc1 T2S1814 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.1 OCC1=CC=C(O)C=C1 T3752 [0,0,0,0,0,0|1,0,1]=2 5 B8R1.2 NCc1cccnc1 T1581 [1,0,0,0,0,0|2,0,1]=4 6 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [1,0,0,0,0,0|1,0,0]=2 7 B8R1.2 OCC1=CC=CC=C1 T0732 [1,0,0,0,0,0|1,0,1]=3 8 B8R1.2 OCc1ccccn1 T1112 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.2 OCc1cccnc1 T1299 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.3 Clc1ccc(Cl)cc1 T7431 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.3 Nc1ccc(Cl)nc1 T7234 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.1 N#CCc1ccc(O)cc1 Fr16745 [0,1,0,0,0,0|0,0,2]=3 13 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [0,1,0,0,0,0|0,0,2]=3 14 B10R1.1 NCCc1ccc(O)cc1 T3095 [0,1,0,0,0,0|0,0,2]=3 15 B10R1.1 NCCc1ccc(O)cc1 T7851 [0,1,0,0,0,0|0,0,2]=3 16 B10R1.1 OCCc1ccc(O)cc1 T2861 [0,1,0,0,0,0|0,0,2]=3 17 B10R1.3 COc1ccc(C=O)cc1 T7910 [0,1,0,0,0,0|1,0,0]=2 18 B10R1.13 CC(=O)C1=CC=C(O)C=C1 T3750 [0,1,0,0,0,0|0,0,1]=2 19 B10R1.13 Cc1ccc(C(=O)O)cc1 Fr14438 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [0,1,0,0,0,0|2,0,0]=3 22 B10R1.13 Nc1ccc(C(=O)O)cn1 T7919 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.13 O=C(O)C1=NC=C(O)N=C1 T10171 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.13 O=C1C=CC(C(=O)O)=CO1 T7962 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.176 O=Cc1ccc(O)c(O)c1 T3018 [0,1,0,0,0,0|1,0,0]=2 28 B10R1.176 O=c1cc(CO)occ1O T5889 [0,1,0,0,0,0|2,0,1]=4 29 B8R1.1 CC1=CC=C(C=O)O1 TCP2934 [0,0,0,0,1,0|3,0,0]=4 30 B7R0.4 C\C=C\C=C\C(=O)O T8019 [1,0,1,0,0,0|1,0,1]=4 31 B7R1.3 CC1=NC=CC=C1 T21323 [2,0,0,0,0,0|1,0,1]=4 32 B9R1.2 CNc1cccc(C)c1 T0557 [1,1,0,0,0,0|1,0,1]=4 33 B9R1.2 O=Cc1cccc(O)c1 T4778 [1,1,0,0,0,0|1,0,0]=3 34 B9R1.2 OCc1cccc(O)c1 T4760 [1,1,0,0,0,0|1,0,1]=4 35 B9R1.6 CC(=O)c1ccccc1 T7446 [1,1,0,0,0,0|0,0,1]=3 36 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,1,0,0,0,0|0,0,2]=4 37 B9R1.6 N=C(N)c1ccccc1 T8362 [1,1,0,0,0,0|1,0,0]=3 38 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [1,1,0,0,0,0|1,0,0]=3 39 B9R1.6 NC(=O)C1=CC=CC=N1 T6942 [1,1,0,0,0,0|2,0,0]=4 40 B9R1.6 NC(=O)C1=CC=NC=C1 T0552 [1,1,0,0,0,0|2,0,0]=4 41 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [1,1,0,0,0,0|2,0,0]=4 42 B9R1.6 NC(=S)C1=CC=NC=C1 T1365 [1,1,0,0,0,0|2,0,0]=4 43 B9R1.6 O=C(O)c1ccccc1 T0833 [1,1,0,0,0,0|1,0,0]=3 44 B9R1.6 O=C(O)c1ccccn1 T4850 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.6 O=C(O)c1cccnc1 T0879 [1,1,0,0,0,0|2,0,0]=4 46 B9R1.6 O=C(O)c1ccncc1 Fr13756 [1,1,0,0,0,0|2,0,0]=4 47 B9R1.6 O=C([O-])c1ccccc1 T8124 [1,1,0,0,0,0|1,0,0]=3 48 B9R1.6 O=C([O-])c1ccccn1 T4575 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.8 NCCc1ccccc1 T2935 [1,1,0,0,0,0|0,0,2]=4 50 B9R1.8 NCCc1ccccc1 T7433 [1,1,0,0,0,0|0,0,2]=4 51 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [1,1,0,0,0,0|0,0,1]=3 52 B9R1.8 OCCC1=CC=CC=C1 T0011 [1,1,0,0,0,0|0,0,2]=4 53 B9R1.15 COc1ccccc1O T1301 [1,1,0,0,0,0|1,0,1]=4 54 B9R1.15 COc1ccccc1O T3267 [1,1,0,0,0,0|1,0,1]=4 55 B9R1.15 OCc1ccccc1O T0311 [1,1,0,0,0,0|1,0,1]=4 56 B9R1.69 Cc1ccc(N)c(N)c1 T7988 [1,1,0,0,0,0|1,0,1]=4 57 B9R1.69 Cc1ccc(O)c(O)c1 T4779 [1,1,0,0,0,0|0,0,1]=3 58 B9R1.69 NC1=C(O)C=C(F)C=C1 T1370 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.21 O=Cc1ccc(CO)o1 T2943 [0,1,0,0,1,0|2,0,0]=4 60 B11R1.1 COCCc1ccc(O)cc1 T0635 [0,2,0,0,0,0|0,0,2]=4 61 B11R1.1 OCCCc1ccc(O)cc1 T3738 [0,2,0,0,0,0|0,0,2]=4 62 B11R1.1 OC\C=C\c1ccc(O)cc1 TN2028 [0,2,0,0,0,0|0,0,0]=2 63 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,2,0,0,0,0|0,0,1]=3 64 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [0,2,0,0,0,0|0,0,1]=3 65 B11R1.20 O=C(O)Cc1ccc(O)cc1 T3743 [0,2,0,0,0,0|0,0,1]=3 66 B11R1.20 [C@H](C)(N)Cc1ccc(O)cc1 T8577 [0,2,0,0,0,0|0,0,2]=4 67 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [0,2,0,0,0,0|0,0,1]=3 68 B11R1.22 CCC(C)C1=CC=C(O)C=C1 T12515 [0,2,0,0,0,0|0,0,2]=4 69 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,2,0,0,0,0|0,0,1]=3 70 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,2,0,0,0,0|0,0,2]=4 71 B11R1.22 O=C(CBr)c1ccc(O)cc1 T7084 [0,2,0,0,0,0|0,0,1]=3 72 B11R1.83 C=CCc1ccc(OC)cc1 T5649 [0,2,0,0,0,0|0,0,0]=2 73 B11R1.83 C\C=C\c1ccc(OC)cc1 T0014 [0,2,0,0,0,0|0,0,0]=2 74 B11R1.83 C\C=C\c1ccc(OC)cc1 T0762 [0,2,0,0,0,0|0,0,0]=2 75 B11R1.192 C=CCc1ccc(O)c(O)c1 TN1274 [0,2,0,0,0,0|0,0,0]=2 76 B11R1.192 NCCc1ccc(O)c(O)c1 T1644 [0,2,0,0,0,0|0,0,2]=4 77 B11R1.192 OCCc1ccc(O)c(O)c1 T3412 [0,2,0,0,0,0|0,0,2]=4 78 B11R1.3 CC(C)c1ccc(C=O)cc1 T7441 [0,2,0,0,0,0|2,0,0]=4 79 B11R1.3 CC(C)c1ccc(CO)cc1 T7442 [0,2,0,0,0,0|0,0,2]=4 80 B11R1.3 COC1=CC=C(C(=O)O)C=C1 TCS0862 [0,2,0,0,0,0|1,0,0]=3 81 B11R1.3 NCc1ccc(C(=O)O)cc1 T1252 [0,2,0,0,0,0|1,0,1]=4 82 B11R1.3 O=Cc1ccc(C(=O)O)cc1 T1691 [0,2,0,0,0,0|1,0,0]=3 83 B11R1.279 COC1=C(O)C=C(C=O)C=C1 T3740 [0,2,0,0,0,0|1,0,0]=3 84 B11R1.279 COc1ccc(C=O)c(O)c1 T2A2524 [0,2,0,0,0,0|1,0,0]=3 85 B11R1.21 CC(=O)c1ccc(O)c(O)c1 T3734 [0,2,0,0,0,0|0,0,1]=3 86 B11R1.21 Cc1cc(C(=O)O)ccc1O T5298 [0,2,0,0,0,0|1,0,0]=3 87 B11R1.21 Nc1cc(C(=O)O)ccc1O T4770 [0,2,0,0,0,0|1,0,0]=3 88 B11R1.21 O=C(O)c1ccc(Br)c(O)c1 T7454 [0,2,0,0,0,0|2,0,0]=4 89 B11R1.21 O=C(O)c1ccc(O)c(O)c1 T0562 [0,2,0,0,0,0|1,0,0]=3 90 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 T3751 [0,2,0,0,0,0|0,0,1]=3 91 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,2,0,0,0,0|1,0,1]=4 92 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 T0441 [0,2,0,0,0,0|2,0,0]=4 93 B11R1.166 Nc1ccc(C(=O)O)c(O)c1 T1296 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.166 Nc1ccc(C(=O)[O-])c(O)c1 T0020 [0,2,0,0,0,0|2,0,0]=4 95 B11R1.166 O=C(O)c1ccc(Cl)cc1O T0666 [0,2,0,0,0,0|2,0,0]=4 96 B11R1.166 O=C(O)c1ccc(O)cc1O T5890 [0,2,0,0,0,0|1,0,0]=3 97 B11R1.37 COc1ccc(O)cc1OC T3745 [0,2,0,0,0,0|1,0,1]=4 98 B11R1.464 O=Cc1c(O)cc(O)cc1O TN1206 [0,2,0,0,0,0|1,0,0]=3 99 B11R1.14 O=Cc1cc(O)c(O)c(O)c1 T7972 [0,2,0,0,0,0|1,0,0]=3 100 B11R1.280 C=Cc1ccc(O)c(OC)c1 T8197 [0,2,0,0,0,0|0,0,0]=2 101 B11R1.280 COc1cc(C=O)ccc1O T6717 [0,2,0,0,0,0|1,0,0]=3 102 B11R1.280 COc1cc(CN)ccc1O T1356 [0,2,0,0,0,0|1,0,1]=4 103 B11R1.280 COc1cc(CO)ccc1O T2860 [0,2,0,0,0,0|1,0,1]=4 104 B9R1.3 Cc1cccc(O)c1O T3742 [0,0,1,1,0,0|1,0,1]=4 105 B9R1.3 OC1=CC=CC(O)=C1O T3749 [0,0,1,1,0,0|2,0,0]=4 106 B9R1.5 O=C1C=CC=CC=C1O T8087 [0,0,1,1,0,0|1,0,0]=3 107 B11R2.36 Oc1ccc2c(c1)OCO2 T3676 [0,1,0,1,0,0|1,0,1]=4