0 B11R1.24 CNCCc1cccc(O)c1 T34003 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.10 CCOc1cccc(O)c1 T20297 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.10 Cc1cccc(CC#N)c1 T33456 [1,0,0,0,0,0|1,0,2]=4 3 B10R1.10 NCCc1cccc(O)c1 T11937 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.10 NCCc1cccc(O)c1 T11937L [1,0,0,0,0,0|1,0,0]=2 5 B10R1.10 NNCc1cccc(O)c1 T29406 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.17 CCOCc1ccccc1 T36790 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.17 CNCCc1ccccn1 T0246 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.17 CNCCc1ccccn1 T0246L [1,0,0,0,0,0|1,0,0]=2 9 B10R1.17 CNCCc1ccccn1 T4195 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.17 NNCCc1ccccc1 T12441 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.17 NNCCc1ccccc1 T50010 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.17 O=CCCc1ccccc1 T20312 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.17 OCCCc1ccccc1 T3754 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.17 OCCOc1ccccc1 T20293 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 S=C=NCc1ccccc1 T1082 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.17 CNCC(O)c1cccc(O)c1 T0453L [0,1,0,0,0,0|1,0,0]=2 17 B12R1.17 CNC[C@H](O)c1cccc(O)c1 T0453 [0,1,0,0,0,0|1,0,0]=2 18 B12R1.17 CNC[C@H](O)c1cccc(O)c1 T17310 [0,1,0,0,0,0|1,0,0]=2 19 B12R1.50 CNC(=O)Oc1cccc(C)c1 T21216 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.226 CC(O)CCc1cccc(O)c1 TN5707 [0,1,0,0,0,0|2,0,0]=3 21 B12R1.226 FC(F)CNc1cccc(Cl)c1 T30064 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.226 OC(=O)CCc1cccc(O)c1 T7437 [0,1,0,0,0,0|3,0,0]=4 23 B12R2.612 OB1OCc2cc(Cl)ccc12 T4040 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.2 CCc1cccc(N)c1 T21169 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.2 CCc1cccc(O)c1 T21170 [2,0,0,0,0,0|1,0,0]=3 26 B9R1.2 CNc1cccc(C)c1 T0557 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.2 COc1cccc(Br)c1 T21218 [2,0,0,0,0,0|1,1,0]=4 28 B9R1.2 COc1cccc(C)c1 T21278 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.2 COc1cccc(O)c1 T20294 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.2 ClCc1cccc(Cl)c1 T21091 [2,0,0,0,0,0|1,0,0]=3 31 B9R1.2 Fc1cccc(CCl)c1 T21179 [2,0,0,0,0,0|1,1,0]=4 32 B9R1.2 NCc1ccnc(Cl)c1 T7185 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.2 OCc1cccc(I)c1 T21214 [2,0,0,0,0,0|1,1,0]=4 34 B9R1.2 OCc1cccc(O)c1 T4760 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.8 CCOc1ccccc1 T19753 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.8 CNCc1ccccc1 T8016 [2,0,0,0,0,0|0,0,0]=2 37 B9R1.8 NCCc1ccccc1 T2935 [2,0,0,0,0,0|0,0,0]=2 38 B9R1.8 NCCc1ccccc1 T7433 [2,0,0,0,0,0|0,0,0]=2 39 B9R1.8 NCCc1ccccn1 T22501 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.8 O=CCc1ccccc1 TCS1857 [2,0,0,0,0,0|1,0,1]=4 41 B9R1.8 OCCc1ccccc1 T0011 [2,0,0,0,0,0|1,0,0]=3 42 B9R1.8 OCCc1ccccn1 T0658 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.157 CC(N)Cc1cccc(O)c1 T50039 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.157 OC1=CC=CC(CC(N)C)=C1 T31922 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.189 CCOc1cccc(C=O)c1 T21171 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.189 COc1cccc(CCN)c1 T7855 [1,1,0,0,0,0|1,0,0]=3 47 B11R1.192 C1=CC(=C(C=C1CCN)O)O T9077 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.192 NCCc1ccc(O)c(O)c1 T1644 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.192 NOCc1ccc(Br)c(O)c1 T23822 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.192 OCCc1ccc(O)c(O)c1 T3412 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.1 CCOCc1ccc(O)cc1 TN3029 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.1 COCCc1ccc(O)cc1 T0635 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.1 OCCCc1ccc(O)cc1 T3738 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.16 CCCC(=O)c1ccccc1 T20324 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.28 OCCCCc1ccccc1 T20370 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.28 OCCOCc1ccccc1 T14013 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.28 S=C=NCCc1ccccc1 T19687 [1,1,0,0,0,0|0,0,2]=4 58 B11R1.40 CC(Cc1ccccc1)NN T24631 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.91 CC(=O)COc1ccccc1 T25944 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.91 CC(=O)NCc1ccccc1 T5924 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.91 CC(=O)OCc1ccccc1 T5615 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.91 OC(=O)CCc1ccccc1 T3731 [1,1,0,0,0,0|2,0,0]=4 64 B13R1.18 CCNCC(O)c1cccc(O)c1 T3264 [0,2,0,0,0,0|1,0,0]=3 65 B13R1.22 CNC(C)C(O)c1cccc(O)c1 T29408 [0,2,0,0,0,0|1,0,0]=3 66 B13R1.466 CNCC(=O)c1ccc(O)c(O)c1 T0948 [0,2,0,0,0,0|1,0,1]=4 67 B13R1.466 CNCC(=O)c1ccc(O)c(O)c1 T23571 [0,2,0,0,0,0|1,0,1]=4 68 B13R1.466 CNCC(O)c1ccc(O)c(O)c1 T1071L [0,2,0,0,0,0|1,0,0]=3 69 B13R1.466 CNCC(O)c1ccc(O)c(O)c1 T31383 [0,2,0,0,0,0|1,0,0]=3 70 B13R1.466 CNCC(O)c1ccc(O)c(O)c1 T32536 [0,2,0,0,0,0|1,0,0]=3 71 B13R1.466 CNC[C@H](O)c1ccc(O)c(O)c1 T1047 [0,2,0,0,0,0|1,0,0]=3 72 B13R1.55 CCCCCc1cc(O)cc(O)c1 T3736 [0,2,0,0,0,0|2,0,0]=4 73 B13R1.511 CC(=O)CCc1ccc(O)c(O)c1 TN3002 [0,2,0,0,0,0|2,0,0]=4 74 B13R1.838 C[N+](C)(C)CCc1cccc(O)c1 T32647 [0,2,0,0,0,0|1,0,1]=4 75 B11R2.1 O=C1CCc2ccccc12 T0564 [1,0,0,1,0,0|2,0,0]=4 76 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [1,0,0,1,0,0|2,0,0]=4 77 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [1,0,0,1,0,0|2,0,0]=4 78 B11R2.20 C1SSCc2ccccc12 T12696 [1,0,0,1,0,0|2,0,0]=4 79 B13R2.13 Oc1cccc(c1)N2CCCC2 T33130 [0,1,0,1,0,0|2,0,0]=4 80 B13R2.5179 Clc1ccc2C(=O)CCCc2c1 T21355 [0,1,0,1,0,0|1,0,1]=4 81 B9R1.12 CNCCc1c[nH]cn1 T23038 [1,0,0,0,1,0|2,0,0]=4