0 B10R1.17 CCOCc1ccccc1 T36790 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 CNCCc1ccccn1 T0246 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.17 CNCCc1ccccn1 T0246L [0,0,0,0,0,0|4,0,0]=4 3 B10R1.17 CNCCc1ccccn1 T4195 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.17 NNCCc1ccccc1 T12441 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.17 NNCCc1ccccc1 T50010 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.17 O=C/C=C/c1ccccc1 T3S1553 [0,0,0,0,0,0|1,0,3]=4 7 B10R1.17 O=CC=Cc1ccccc1 T4S1551 [0,0,0,0,0,0|1,0,3]=4 8 B10R1.17 O=CCCc1ccccc1 T20312 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.17 OC/C=C/c1ccccc1 TN2982 [0,0,0,0,0,0|1,0,1]=2 10 B10R1.17 OCC=Cc1ccccc1 T5S1550 [0,0,0,0,0,0|1,0,1]=2 11 B10R1.17 OCCCc1ccccc1 T3754 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.17 OCCOc1ccccc1 T20293 [0,0,0,0,0,0|0,0,0]=0 13 B10R1.17 S=C=NCc1ccccc1 T1082 [0,0,0,0,0,0|2,1,1]=4 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|1,0,0]=2 17 B9R1.8 NCCc1ccccc1 T7433 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.8 NCCc1ccccn1 T22501 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 O/N=C/c1ccccc1 T20350 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.8 O=CCc1ccccc1 TCS1857 [1,0,0,0,0,0|0,0,2]=3 21 B9R1.8 OCCc1ccccc1 T0011 [1,0,0,0,0,0|0,0,0]=1 22 B9R1.8 OCCc1ccccn1 T0658 [1,0,0,0,0,0|1,0,0]=2 23 B11R1.1 CCOCc1ccc(O)cc1 TN3029 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.1 COCCc1ccc(O)cc1 T0635 [0,1,0,0,0,0|3,0,0]=4 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 B11R1.16 CC(/C=N/O)c1ccccc1 T29369 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.16 CCCC(=O)c1ccccc1 T20324 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.16 CCOC(=O)c1ccccc1 TN4020 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.16 ClCCC(=O)c1ccccc1 T1342 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.16 OCNC(=O)c1cccnc1 T7869 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.24 CNCCc1cccc(O)c1 T34003 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.28 NCCSSc1ccccn1 T19106 [0,1,0,0,0,0|2,1,0]=4 34 B11R1.28 OCCCCc1ccccc1 T20370 [0,1,0,0,0,0|1,0,0]=2 35 B11R1.28 OCCOCc1ccccc1 T14013 [0,1,0,0,0,0|0,0,0]=1 36 B11R1.28 OCCSCc1ccncc1 T34331 [0,1,0,0,0,0|1,1,0]=3 37 B11R1.28 S=C=NCCc1ccccc1 T19687 [0,1,0,0,0,0|1,1,1]=4 38 B11R1.40 CC(Cc1ccccc1)NN T24631 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [0,1,0,0,0,0|1,0,2]=4 40 B11R1.91 CC(=O)COc1ccccc1 T25944 [0,1,0,0,0,0|0,0,2]=3 41 B11R1.91 OC(=O)/C=C/c1ccccc1 T2740 [0,1,0,0,0,0|1,0,2]=4 42 B11R1.91 OC(=O)CCc1ccccc1 T3731 [0,1,0,0,0,0|1,0,1]=3 43 B11R1.91 OC(C=Cc1ccccc1)=O T5646 [0,1,0,0,0,0|1,0,2]=4 44 B11R2.1 O=C1CCc2ccccc12 T0564 [0,0,0,1,0,0|1,0,2]=4 45 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [0,0,0,1,0,0|2,0,0]=3 46 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.2 COc1cnccn1 TN6755 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.2 NCc1ccccc1 TN3497 [2,0,0,0,0,0|1,0,0]=3 49 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.2 O=Cc1ccccc1 TWO2659 [2,0,0,0,0,0|0,0,2]=4 51 B8R1.2 OCc1ccccc1 T0732 [2,0,0,0,0,0|0,0,0]=2 52 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|1,0,0]=3 53 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|1,0,0]=3 54 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|0,0,0]=2 57 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.1 c1cc(ccc1CCN)O T3095 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.4 CCOc1ccccc1Br T20308 [1,1,0,0,0,0|0,0,0]=2 60 B10R1.4 CSCc1ccccc1O T33357 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.4 O/N=C/c1ccccc1O T20346 [1,1,0,0,0,0|1,0,1]=4 62 B10R1.4 Oc1ccccc1CC=C T20472 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.10 CCOc1cccc(O)c1 T20297 [1,1,0,0,0,0|0,0,0]=2 64 B10R1.10 Cc1cccc(CC#N)c1 T33456 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.10 NCCc1cccc(O)c1 T11937 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.10 NCCc1cccc(O)c1 T11937L [1,1,0,0,0,0|1,0,0]=3 67 B10R1.10 NNCc1cccc(O)c1 T29406 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.15 CC(NN)c1ccccc1 T33268 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.15 CCC(C1=CC=NC=C1)=O T20581 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.15 CNC(=O)c1ccccc1 T12150 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.15 N#C[C@@H](c1ccccc1)O T9158 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.15 OC(C=C)c1ccccc1 T50007 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.15 OCC(O)c1ccccc1 T1346 [1,1,0,0,0,0|0,0,0]=2 75 B10R1.18 C1=NC=CC=C1CC(O)=O T19128 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,1,0,0,0,0|0,0,1]=3 77 B10R1.18 CC(=S)Nc1ccccc1 T20263 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.18 OC(=O)Cc1cccnc1 T1366 [1,1,0,0,0,0|1,0,1]=4 81 B12R1.1 CCCCOc1ccc(O)cc1 T1350 [0,2,0,0,0,0|1,0,0]=3 82 B12R1.16 CCCC(=O)c1ccc(F)cc1 T3679 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.16 OCCC(=O)c1ccc(O)cc1 TN5924 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.21 C[C@@H](O)CCc1ccc(O)cc1 T19924 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.21 C[C@H](O)CCc1ccc(O)cc1 TN4909 [0,2,0,0,0,0|1,0,0]=3 86 B12R1.21 OC(=O)CCc1ccc(O)cc1 T2862 [0,2,0,0,0,0|1,0,1]=4 87 B12R1.21 OC(=O)COc1ccc(Cl)cc1 T30866 [0,2,0,0,0,0|0,0,1]=3 88 B12R1.21 c1(ccc(cc1)CC[C@@H](O)C)O T34321 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.69 CCCCc1ccc(C)cc1O T33233 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.69 CCCCc1ccc(O)cc1O T7125 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.69 Nc1ccc(OCCO)c(N)c1 T5672 [0,2,0,0,0,0|0,0,0]=2 92 B12R1.71 COc1ccc(/C=C/CO)cc1 TN3049 [0,2,0,0,0,0|1,0,1]=4 93 B12R1.30 CCCCC(O)c1ccccc1 T0857 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.107 CC(C)CC(=O)c1ccccc1 T20363 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.107 CC(CC(O)=O)c1ccccc1 T19125 [0,2,0,0,0,0|1,0,1]=4 96 B12R1.308 NCCC(=O)c1ccccc1N T32431 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.121 COc1ccccc1OCCN T1698 [0,2,0,0,0,0|1,0,0]=3 98 B12R1.125 CC(N)CCc1ccccc1Cl T24797 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.125 OC(=O)CCc1ccccc1O T4892 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.267 CCCCCc1ccccc1O T33809 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.50 O=C(NC1=CC=CC(C)=C1)CO T29382 [0,2,0,0,0,0|1,0,1]=4 102 B12R1.226 CC(O)CCc1cccc(O)c1 TN5707 [0,2,0,0,0,0|1,0,0]=3 103 B12R1.226 Cc1cccc(OCC(O)=O)c1 T21217 [0,2,0,0,0,0|0,0,1]=3 104 B12R1.226 FC(F)CNc1cccc(Cl)c1 T30064 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.226 OC(=O)CCc1cccc(O)c1 T7437 [0,2,0,0,0,0|1,0,1]=4 106 B12R1.8 CCCCCOc1ccccc1 T25936 [0,2,0,0,0,0|1,0,0]=3 107 B12R1.8 S=C=NCCCC1=CC=CC=C1 T40253 [0,2,0,0,0,0|1,1,0]=4 108 B12R1.27 CCC(=O)O[Hg]c1ccccc1 T34024 [0,2,0,0,0,0|1,0,1]=4 109 B12R1.27 COC(=O)CCc1ccccc1 T9513 [0,2,0,0,0,0|1,0,1]=4 110 B12R1.32 CCCC(=O)Oc1ccccc1 T25946 [0,2,0,0,0,0|1,0,0]=3 111 B12R1.32 CN(CCO)Cc1cccnc1 T32276 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.32 NC(CC=C)Cc1ccccc1 T25044 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.252 OC(=O)CCCc1ccccc1 T5886 [0,2,0,0,0,0|1,0,0]=3 114 B12R1.252 [O-]C(=O)CCCc1ccccc1 T1535 [0,2,0,0,0,0|1,0,1]=4 115 B12R1.43 C(=O)([C@H](N)Cc1ccccc1)O T0689 [0,2,0,0,0,0|1,0,1]=4 116 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O TN1592 [0,2,0,0,0,0|1,0,1]=4 117 B12R1.43 OC(Cc1ccccc1)C(O)=O T4455 [0,2,0,0,0,0|1,0,1]=4 118 B12R1.43 O[C@@H](Cc1ccccc1)C(O)=O T5290 [0,2,0,0,0,0|1,0,1]=4 119 B12R1.43 O[C@H](Cc1ccccc1)C(O)=O T5274 [0,2,0,0,0,0|1,0,1]=4 120 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(O)=O T40376 [0,2,0,0,0,0|1,0,1]=4 121 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N T3377 [0,2,0,0,0,0|1,0,1]=4 122 B10R2.7 C1Cc2ccccc2O1 Fr14127 [1,0,0,1,0,0|0,0,0]=2 123 B12R2.24 CC1CCc2ccccc2N1 T20448 [0,1,0,1,0,0|2,0,0]=4 124 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,1,0,1,0,0|1,0,1]=4 125 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T19999 [0,1,0,1,0,0|1,0,0]=3 126 B12R2.1 OCc1c[nH]c2ccccc12 T2947 [0,1,0,1,0,0|1,0,1]=4