0 B10R1.17 CCOCc1ccccc1 T36790 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.17 CNCCc1ccccn1 T0246 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.17 CNCCc1ccccn1 T0246L [0,0,0,0,0,0|1,0,0]=1 3 B10R1.17 CNCCc1ccccn1 T4195 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.17 NNCCc1ccccc1 T12441 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.17 NNCCc1ccccc1 T50010 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.17 O=C/C=C/c1ccccc1 T3S1553 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.17 O=CC=Cc1ccccc1 T4S1551 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.17 O=CCCc1ccccc1 T20312 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.17 OC/C=C/c1ccccc1 TN2982 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.17 OCC=Cc1ccccc1 T5S1550 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.17 OCCCc1ccccc1 T3754 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.17 OCCOc1ccccc1 T20293 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.17 S=C=NCc1ccccc1 T1082 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.8 CCOc1ccccc1 T19753 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.8 CNCc1ccccc1 T8016 [1,0,0,0,0,0|0,0,0]=1 16 B9R1.8 NCCc1ccccc1 T2935 [1,0,0,0,0,0|0,0,0]=1 17 B9R1.8 NCCc1ccccc1 T7433 [1,0,0,0,0,0|0,0,0]=1 18 B9R1.8 NCCc1ccccn1 T22501 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.8 O/N=C/c1ccccc1 T20350 [1,0,0,0,0,0|1,0,2]=4 20 B9R1.8 O=CCc1ccccc1 TCS1857 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.8 OCCc1ccccc1 T0011 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.8 OCCc1ccccn1 T0658 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.1 CCOCc1ccc(O)cc1 TN3029 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.1 COCCc1ccc(O)cc1 T0635 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.1 OCCCc1ccc(O)cc1 T3738 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.16 CC(/C=N/O)c1ccccc1 T29369 [0,1,0,0,0,0|1,0,2]=4 27 B11R1.16 CC(N=C=S)c1ccccc1 T27188 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.16 CCCC(=O)c1ccccc1 T20324 [0,1,0,0,0,0|1,0,1]=3 29 B11R1.16 CCOC(=O)c1ccccc1 TN4020 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.16 C[C@@H](C1=CC=CC=C1)N=C=S T27793 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.16 C[C@H](C1=CC=CC=C1)N=C=S T19758 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.16 ClCCC(=O)c1ccccc1 T1342 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.24 CNCCc1cccc(O)c1 T34003 [0,1,0,0,0,0|0,0,0]=1 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|2,0,0]=3 36 B11R1.28 OCCSCc1ccncc1 T34331 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.28 S=C=NCCc1ccccc1 T19687 [0,1,0,0,0,0|0,0,2]=3 38 B11R1.40 CC(Cc1ccccc1)NN T24631 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [0,1,0,0,0,0|1,0,2]=4 40 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [0,1,0,0,0,0|1,0,2]=4 41 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.91 CC(=O)COc1ccccc1 T25944 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.91 CC(=O)NCc1ccccc1 T5924 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.91 CC(=O)OCc1ccccc1 T5615 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.91 CC(C)=NNc1ccccc1 T29585 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.91 NC(=O)NCc1ccccc1 T21213 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.91 OC(=O)CCc1ccccc1 T3731 [0,1,0,0,0,0|2,0,0]=3 48 B11R2.1 Cc1c[nH]c2ccccc12 T5281 [0,0,0,1,0,0|2,0,1]=4 49 B11R2.1 Nn1nnc2ccccc12 T5953 [0,0,0,1,0,0|3,0,0]=4 50 B11R2.1 O=C1CCc2ccccc12 T0564 [0,0,0,1,0,0|2,0,0]=3 51 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [0,0,0,1,0,0|2,0,0]=3 52 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [0,0,0,1,0,0|2,0,0]=3 53 B11R2.20 C1SSCc2ccccc12 T12696 [0,0,0,1,0,0|2,0,0]=3 54 B9R1.12 CNCCc1c[nH]cn1 T23038 [0,0,0,0,1,0|2,0,0]=3 55 B8R1.2 NCc1ccccc1 TN3497 [2,0,0,0,0,0|0,0,0]=2 56 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|1,0,0]=3 57 B8R1.2 O=Cc1ccccc1 TWO2659 [2,0,0,0,0,0|1,0,1]=4 58 B8R1.2 OCc1ccccc1 T0732 [2,0,0,0,0,0|1,0,0]=3 59 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|2,0,0]=4 61 B10R0.71 CCCCC/C=C/C=C/C=O T9506 [0,1,1,0,0,0|1,0,1]=4 62 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|0,0,0]=2 63 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|0,0,0]=2 64 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [1,1,0,0,0,0|0,0,2]=4 66 B10R1.1 c1cc(ccc1CCN)O T3095 [1,1,0,0,0,0|0,0,0]=2 67 B10R1.4 CCOc1ccccc1Br T20308 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.4 CSCc1ccccc1O T33357 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.4 Oc1ccccc1CC=C T20472 [1,1,0,0,0,0|0,0,2]=4 70 B10R1.10 CCOc1cccc(O)c1 T20297 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.10 Cc1cccc(CC#N)c1 T33456 [1,1,0,0,0,0|0,0,2]=4 72 B10R1.10 NCCc1cccc(O)c1 T11937 [1,1,0,0,0,0|0,0,0]=2 73 B10R1.10 NCCc1cccc(O)c1 T11937L [1,1,0,0,0,0|0,0,0]=2 74 B10R1.10 NNCc1cccc(O)c1 T29406 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.15 CC(NN)c1ccccc1 T33268 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.15 CCC(C1=CC=NC=C1)=O T20581 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.15 CNC(=O)c1ccccc1 T12150 [1,1,0,0,0,0|0,0,1]=3 78 B10R1.15 CNC(=O)c1cccnc1 T5233 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.15 N#C[C@@H](c1ccccc1)O T9158 [1,1,0,0,0,0|0,0,2]=4 80 B10R1.15 NCC(O)c1ccccc1 T4873 [1,1,0,0,0,0|0,0,0]=2 81 B10R1.15 NNC(=S)c1ccccc1 T10513 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.15 OC(C=C)c1ccccc1 T50007 [1,1,0,0,0,0|0,0,2]=4 83 B10R1.15 OCC(O)c1ccccc1 T1346 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.18 CC(=S)Nc1ccccc1 T20263 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,1,0,0,0,0|0,0,0]=2 87 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,1,0,0,0,0|0,0,0]=2 88 B10R1.21 CCCCCc1ccco1 TCS0324 [0,1,0,0,1,0|2,0,0]=4 89 B12R1.1 CCCCOc1ccc(O)cc1 T1350 [0,2,0,0,0,0|1,0,0]=3 90 B12R1.16 C(c1ccc(cc1)O)(CNC)O T6688 [0,2,0,0,0,0|0,0,0]=2 91 B12R1.16 CCCC(=O)c1ccc(F)cc1 T3679 [0,2,0,0,0,0|1,0,1]=4 92 B12R1.16 CNCC(O)c1ccc(O)cc1 T1287 [0,2,0,0,0,0|0,0,0]=2 93 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.21 CC(=O)OCc1ccc(C)cc1 T20468 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.21 CC(=O)OCc1ccc(Cl)cc1 T33897 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.21 CN(C)CCc1ccc(O)cc1 T2890 [0,2,0,0,0,0|0,0,0]=2 97 B12R1.21 C[C@@H](O)CCc1ccc(O)cc1 T19924 [0,2,0,0,0,0|1,0,0]=3 98 B12R1.21 C[C@H](O)CCc1ccc(O)cc1 TN4909 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.21 OC(=O)CCc1ccc(O)cc1 T2862 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.21 c1(ccc(cc1)CC[C@@H](O)C)O T34321 [0,2,0,0,0,0|1,0,0]=3 101 B12R1.49 COC(=O)Cc1ccc(O)cc1 TN1436 [0,2,0,0,0,0|1,0,1]=4 102 B12R1.69 CCCCc1ccc(C)cc1O T33233 [0,2,0,0,0,0|1,0,0]=3 103 B12R1.69 CCCCc1ccc(O)cc1O T7125 [0,2,0,0,0,0|1,0,0]=3 104 B12R1.17 CNCC(O)c1cccc(O)c1 T0453L [0,2,0,0,0,0|0,0,0]=2 105 B12R1.17 CNC[C@H](O)c1cccc(O)c1 T0453 [0,2,0,0,0,0|0,0,0]=2 106 B12R1.17 CNC[C@H](O)c1cccc(O)c1 T17310 [0,2,0,0,0,0|0,0,0]=2 107 B12R1.30 CCCCC(O)c1ccccc1 T0857 [0,2,0,0,0,0|1,0,0]=3 108 B12R1.107 CC(=O)CC(=O)c1ccccc1 T20345 [0,2,0,0,0,0|1,0,1]=4 109 B12R1.107 CC(C)CC(=O)c1ccccc1 T20363 [0,2,0,0,0,0|1,0,1]=4 110 B12R1.107 CC(CC(O)=O)c1ccccc1 T19125 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.125 CC(N)CCc1ccccc1Cl T24797 [0,2,0,0,0,0|1,0,0]=3 112 B12R1.125 OC(=O)CCc1ccccc1O T4892 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.267 CCCCCc1ccccc1O T33809 [0,2,0,0,0,0|1,0,0]=3 114 B12R1.50 CNC(=O)Oc1cccc(C)c1 T21216 [0,2,0,0,0,0|1,0,1]=4 115 B12R1.226 CC(O)CCc1cccc(O)c1 TN5707 [0,2,0,0,0,0|1,0,0]=3 116 B12R1.226 OC(=O)CCc1cccc(O)c1 T7437 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.8 CCCCCOc1ccccc1 T25936 [0,2,0,0,0,0|1,0,0]=3 118 B12R1.8 CNCC/C=C/c1cccnc1 T12738L [0,2,0,0,0,0|1,0,0]=3 119 B12R1.8 CNCC\C=C\C1=CC=CN=C1 T12738 [0,2,0,0,0,0|1,0,0]=3 120 B12R1.8 CNCC\C=C\C1=CC=CN=C1 T12739 [0,2,0,0,0,0|1,0,0]=3 121 B12R1.8 CNCC\C=C\C1=CC=CN=C1 T26096 [0,2,0,0,0,0|1,0,0]=3 122 B12R1.8 CNCC\C=C\C1=CN=CC=C1 T23235 [0,2,0,0,0,0|1,0,0]=3 123 B12R1.8 S=C=NCCCC1=CC=CC=C1 T40253 [0,2,0,0,0,0|0,0,2]=4 124 B12R1.27 COC(=O)CCc1ccccc1 T9513 [0,2,0,0,0,0|1,0,0]=3 125 B12R1.32 CCCC(=O)Oc1ccccc1 T25946 [0,2,0,0,0,0|1,0,1]=4 126 B12R1.32 CCOC(=O)Cc1ccccc1 T19317 [0,2,0,0,0,0|1,0,1]=4 127 B12R1.32 CN(CC#C)Cc1ccccc1 T0300 [0,2,0,0,0,0|1,0,1]=4 128 B12R1.32 CN(CC#C)Cc1ccccc1 T1578 [0,2,0,0,0,0|1,0,1]=4 129 B12R1.32 NC(CC=C)Cc1ccccc1 T25044 [0,2,0,0,0,0|1,0,1]=4 130 B12R1.252 CC(=O)OCCc1ccccc1 TN6877 [0,2,0,0,0,0|1,0,0]=3 131 B12R1.252 OC(=O)CCCc1ccccc1 T5886 [0,2,0,0,0,0|1,0,1]=4 132 B12R1.252 [O-]C(=O)CCCc1ccccc1 T1535 [0,2,0,0,0,0|1,0,1]=4 133 B12R1.43 C(=O)([C@H](N)Cc1ccccc1)O T0689 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.43 CC(Cc1ccccc1)N(C)N T28024 [0,2,0,0,0,0|0,0,0]=2 135 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O TN1592 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.43 OC(Cc1ccccc1)C(O)=O T4455 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.43 O[C@@H](Cc1ccccc1)C(O)=O T5290 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.43 O[C@H](Cc1ccccc1)C(O)=O T5274 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(O)=O T40376 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N T3377 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.194 CNC(C)(C)Cc1ccccc1 T33287 [0,2,0,0,0,0|0,0,0]=2 142 B10R2.7 C1Cc2ccccc2O1 Fr14127 [1,0,0,1,0,0|1,0,0]=3 143 B10R2.7 c1[nH]nc2ccccc12 T2192 [1,0,0,1,0,0|1,0,1]=4 144 B10R2.7 c1cc2ccccc2[nH]1 T4799 [1,0,0,1,0,0|0,0,2]=4 145 B12R2.24 CC1CCc2ccccc2N1 T20448 [0,1,0,1,0,0|1,0,0]=3 146 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,1,0,1,0,0|1,0,0]=3 147 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,1,0,1,0,0|2,0,0]=4 148 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T19999 [0,1,0,1,0,0|1,0,0]=3 149 B12R2.18 C[C@H]1[C@@H](O)Cc2ccncc12 TN3378 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.8 NCCC1=CSC=N1 T29422 [1,0,0,0,1,0|2,0,0]=4 151 B8R1.8 NCCc1c[nH]cn1 T0965 [1,0,0,0,1,0|2,0,0]=4 152 B8R1.8 NCCc1c[nH]cn1 T6535 [1,0,0,0,1,0|2,0,0]=4 153 B8R1.8 NCCc1cc[nH]n1 T8599 [1,0,0,0,1,0|2,0,0]=4 154 B8R1.8 NCCc1cnc[nH]1 T6534 [1,0,0,0,1,0|2,0,0]=4