0 B10R1.66 CC(=O)C=CC1=CC=CO1 CNP0253881.0 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.66 CC(=O)SCC1=CC=CO1 CNP0018548.0 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.66 CC(C)SCC1=CC=CO1 CNP0002931.0 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.66 NC(=O)C=CC1=CC=CO1 CNP0083004.0 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.66 NC(=O)C=CC1=CNC=C1 CNP0558804.0 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.66 O=C(O)C=CC1=CC=CO1 CNP0477259.0 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.66 O=C(O)C=CC1=CN=CN1 CNP0254048.0 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.66 O=C(O)C=CC1=CNC=C1 CNP0242786.0 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.66 O=C(O)C=CC1=CNC=N1 CNP0547920.0 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.66 O=[N+]([O-])C=CC1=CC=CO1 CNP0511622.0 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [1,0,0,0,0,0|0,0,3]=4 12 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [1,0,0,0,0,0|1,0,2]=4 13 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [1,0,0,0,0,0|1,0,2]=4 14 B9R1.12 CSSCC1=CC=CO1 CNP0002883.0 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.12 O=CC#CC1=CC=CS1 CNP0321197.0 [1,0,0,0,0,0|0,1,2]=4 16 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [1,0,0,0,0,0|0,0,0]=1 17 B9R1.12 O=CNCC1=CC=CO1 CNP0029329.0 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.12 O=COCC1=CC=CO1 CNP0574943.0 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.12 O=CSCC1=CC=CO1 CNP0002781.0 [1,0,0,0,0,0|1,0,1]=3 20 B11R1.25 CCC(=O)CCC1=CC=CO1 CNP0542215.0 [0,1,0,0,0,0|0,0,2]=3 21 B11R1.25 CCC(=O)OCC1=CC=CO1 CNP0002784.0 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.25 CCC(=O)SCC1=CC=CO1 CNP0002780.0 [0,1,0,0,0,0|1,0,1]=3 23 B11R1.25 COC(=O)C=CC1=CC=CO1 CNP0003236.0 [0,1,0,0,0,0|0,0,0]=1 24 B11R1.25 COC(=O)C=CC1=CNC=C1 CNP0269800.0 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.25 COC(=O)C=CC1=CNC=N1 CNP0271540.0 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.75 CC(=CCC1=CC(=CO1)C)C CNP0186126.0 [0,1,0,0,0,0|1,0,1]=3 27 B11R1.75 CC(=O)OC[C@@H]1C=CC(=O)O1 CNP0406900.1 [0,1,0,0,0,0|1,0,2]=4 28 B11R1.75 O=C(O)C=CC1=CC(=O)CC1 CNP0224386.0 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.77 CC(=O)CC(=O)C1=CC=CO1 CNP0334244.0 [0,1,0,0,0,0|0,0,1]=2 30 B11R1.90 C=C(C)C=CC1=C(C=CO1)C CNP0277350.0 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.90 C=C(C)CCC1=C(C=CO1)C CNP0194352.0 [0,1,0,0,0,0|1,0,2]=4 32 B11R1.90 CC(=CCC1=C(C=CO1)C)C CNP0224893.0 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.90 CC(=CCC1=C(C=CS1)C)C CNP0298862.0 [0,1,0,0,0,0|1,1,1]=4 34 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [0,0,1,0,0,0|2,0,0]=3 35 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [0,0,1,0,0,0|1,0,2]=4 36 B9R0.48 CC=CC(=CC=C(C)C)C CNP0423070.0 [0,0,1,0,0,0|2,0,1]=4 37 B11R2.36 BrC1=CC=C2CC=CC2=C1 CNP0185507.0 [0,0,0,1,0,0|2,0,1]=4 38 B11R2.36 BrC1=CC=C2NC=CC2=C1 CNP0397727.0 [0,0,0,1,0,0|2,0,1]=4 39 B11R2.36 CC1=CC=C2C=CNC2=C1 CNP0156708.0 [0,0,0,1,0,0|3,0,0]=4 40 B11R2.36 CC1=CC=C2C=CSC2=N1 CNP0293549.0 [0,0,0,1,0,0|3,0,0]=4 41 B11R2.36 CC1=CC=C2N=CNC2=C1 CNP0512184.0 [0,0,0,1,0,0|3,0,0]=4 42 B11R2.36 CC1=CC=C2NC=CC2=C1 CNP0140015.0 [0,0,0,1,0,0|2,0,0]=3 43 B11R2.36 CC1=CC=C2ON=NC2=N1 CNP0000850.0 [0,0,0,1,0,0|3,0,0]=4 44 B11R2.36 CC1=CC=C2SC=CC2=N1 CNP0115761.0 [0,0,0,1,0,0|1,1,0]=3 45 B11R2.36 CC1=CN2C=CC=C2C=N1 CNP0317798.0 [0,0,0,1,0,0|3,0,0]=4 46 B11R2.36 CC1=CN=C2OC=NC2=N1 CNP0000857.0 [0,0,0,1,0,0|3,0,0]=4 47 B11R2.36 CC1=CN=C2ON=CC2=N1 CNP0026649.0 [0,0,0,1,0,0|3,0,0]=4 48 B11R2.36 CC1=NC=C2OC=NC2=N1 CNP0161103.0 [0,0,0,1,0,0|3,0,0]=4 49 B11R2.36 CC1=NC=C2ON=CC2=N1 CNP0353411.0 [0,0,0,1,0,0|3,0,0]=4 50 B11R2.36 CC1=NN=C2OC=CC2=N1 CNP0153624.0 [0,0,0,1,0,0|3,0,0]=4 51 B11R2.36 N=C1C=CN2OC=CC2=N1 CNP0019343.0 [0,0,0,1,0,0|3,0,0]=4 52 B11R2.36 NC1=CC=C2OC=NC2=N1 CNP0069424.0 [0,0,0,1,0,0|3,0,0]=4 53 B11R2.36 NC1=CC=C2ON=CC2=N1 CNP0309862.0 [0,0,0,1,0,0|3,0,0]=4 54 B11R2.36 NC1=CN=C2OC=CC2=N1 CNP0218283.0 [0,0,0,1,0,0|3,0,0]=4 55 B11R2.36 NC1=NC=C2OC=CC2=N1 CNP0220988.0 [0,0,0,1,0,0|3,0,0]=4 56 B11R2.36 O=C1C=CC2=C(N1)N=CN2 CNP0049970.0 [0,0,0,1,0,0|3,0,0]=4 57 B11R2.36 O=C1C=CN2NC=CC2=N1 CNP0001320.0 [0,0,0,1,0,0|3,0,0]=4 58 B11R2.36 OC1=CC=C2CC=CC2=C1 CNP0259723.0 [0,0,0,1,0,0|1,0,2]=4 59 B11R2.36 OC1=CC=C2NC=CC2=C1 CNP0421176.0 [0,0,0,1,0,0|1,0,2]=4 60 B11R2.36 OC1=CC=C2OC=CC2=C1 CNP0360936.0 [0,0,0,1,0,0|0,0,2]=3 61 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [0,0,0,0,1,0|0,0,1]=2 62 B9R1.13 CC(=O)NC1=NC=CS1 CNP0054817.0 [0,0,0,0,1,0|2,1,0]=4 63 B9R1.13 CC(=O)NC1=NNC=C1 CNP0230807.0 [0,0,0,0,1,0|3,0,0]=4 64 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [0,0,0,0,1,0|1,0,0]=2 65 B9R1.13 O=C(O)CC1=CC=CS1 CNP0036225.0 [0,0,0,0,1,0|1,1,1]=4 66 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,0,0,0,0,1|2,0,1]=4 67 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,0,0,0,0,1|1,0,0]=2 68 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,0,0,0,0,1|1,0,2]=4 69 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,0,0,0,0,1|2,0,1]=4 70 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [0,0,0,0,0,1|3,0,0]=4 71 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [0,0,0,0,0,1|1,0,2]=4 72 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [0,0,0,0,0,1|2,0,0]=3 73 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [0,0,0,0,0,1|2,0,0]=3 74 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [0,0,0,0,0,1|2,0,0]=3 75 B11R1.91 O=C(O)C=CC1=CC=CN=C1 CNP0471683.0 [0,0,0,0,0,1|2,0,0]=3 76 B11R1.91 O=C(O)C=CC1C=CC=CC1 CNP0538582.0 [0,0,0,0,0,1|2,0,1]=4 77 B11R1.172 C=C(C)CC=CC1=COC=C1 CNP0238080.0 [0,0,0,0,0,1|3,0,0]=4 78 B11R1.172 CC(=O)CCCC1=CC=CO1 CNP0518396.0 [0,0,0,0,0,1|0,0,2]=3 79 B11R1.172 CC(C)CN=CC1=CC=CO1 CNP0435049.0 [0,0,0,0,0,1|1,0,2]=4 80 B8R0.4 C=CCC=CC=CC=O CNP0394181.0 [1,0,1,0,0,0|1,0,1]=4 81 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [1,0,1,0,0,0|0,0,2]=4 82 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [1,0,1,0,0,0|1,0,1]=4 83 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [1,0,1,0,0,0|0,0,2]=4 84 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [1,0,1,0,0,0|0,0,2]=4 85 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [2,0,0,0,0,0|0,0,1]=3 86 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [2,0,0,0,0,0|0,0,0]=2 87 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [2,0,0,0,0,0|0,0,2]=4 88 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [2,0,0,0,0,0|1,0,1]=4 89 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [2,0,0,0,0,0|1,0,1]=4 90 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [2,0,0,0,0,0|0,0,1]=3 91 B10R0.3 CC(=CC=CC(=CC=O)C)C CNP0319558.0 [0,1,1,0,0,0|1,0,1]=4 92 B10R0.3 CC(=CC=CC(=CCO)C)C CNP0278603.0 [0,1,1,0,0,0|1,0,1]=4 93 B10R0.4 C=CC=CC=CCCC(=O)C CNP0477041.0 [0,1,1,0,0,0|1,0,1]=4 94 B10R0.74 CC=CC=CC=CC(=O)OC CNP0127753.0 [0,1,1,0,0,0|1,0,0]=3 95 B10R1.11 CCCC(=O)C1=CC=CO1 CNP0102871.0 [1,1,0,0,0,0|0,0,2]=4 96 B10R1.11 CCOC(=O)C1=CC=CO1 CNP0247126.0 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.11 O=CNC(=O)C1=CC=CN1 CNP0189867.0 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.21 CCC=CCC1=CC=CO1 CNP0453749.0 [1,1,0,0,0,0|0,0,1]=3 99 B10R1.21 CCCC=CC1=CC=CO1 CNP0062587.0 [1,1,0,0,0,0|0,0,1]=3 100 B10R1.27 CC(=CC1=CC=CO1)C=O CNP0085269.0 [1,1,0,0,0,0|0,0,0]=2 101 B10R1.27 CC(=CC1=COC=C1)C=O CNP0316442.0 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.27 CCC(=O)CC1=CC=CO1 CNP0611998.0 [1,1,0,0,0,0|0,0,2]=4 103 B10R1.23 CC(=O)C(=O)C1=CC=CO1 CNP0137174.0 [0,1,0,0,1,0|0,0,0]=2 104 B10R1.23 CC(=O)C(=O)C1=CC=CS1 CNP0002573.0 [0,1,0,0,1,0|0,1,0]=3 105 B10R1.23 CC(=O)C(=O)C1=COC=C1 CNP0289332.0 [0,1,0,0,1,0|2,0,0]=4 106 B10R1.23 CC(C)C(=O)C1=CC=CO1 CNP0536429.0 [0,1,0,0,1,0|1,0,1]=4 107 B10R1.54 CC(=O)CC1=CC=C(O1)C CNP0609799.0 [0,1,0,0,1,0|0,0,1]=3 108 B10R1.54 CC(=O)N[C@@H]1C=CC(=O)O1 CNP0482331.1 [0,1,0,0,1,0|1,0,1]=4 109 B10R1.54 O=C(O)C=C1C=CC(=O)O1 CNP0438543.0 [0,1,0,0,1,0|1,0,0]=3 110 B10R1.64 CC(=O)CC1=C(C=CO1)C CNP0076562.0 [0,1,0,0,1,0|0,0,1]=3 111 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [0,1,0,0,0,1|1,0,0]=3 112 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [0,1,0,0,0,1|2,0,0]=4 113 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)Cl CNP0552238.0 [0,1,0,0,0,1|2,0,0]=4 114 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)O CNP0070658.0 [0,1,0,0,0,1|2,0,0]=4 115 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Br CNP0594784.0 [0,1,0,0,0,1|2,0,0]=4 116 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Cl CNP0031776.0 [0,1,0,0,0,1|2,0,0]=4 117 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O CNP0255341.0 [0,1,0,0,0,1|2,0,0]=4 118 B12R1.27 CC(=NO)C=CC1=CC=CC=C1 CNP0073914.0 [0,1,0,0,0,1|1,0,1]=4 119 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [0,1,0,0,0,1|1,0,0]=3 120 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,1,0,0,0,1|1,0,0]=3 121 B12R1.27 COC(=O)C=CC1=CC=CN=C1 CNP0057404.0 [0,1,0,0,0,1|1,0,0]=3 122 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [0,1,0,0,0,1|2,0,0]=4 123 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O CNP0011910.0 [0,1,0,0,0,1|2,0,0]=4 124 B12R1.43 CC(=O)C(=CC1=CC=CC=C1)C CNP0379625.0 [0,1,0,0,0,1|1,0,0]=3 125 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [0,1,0,0,0,1|1,0,1]=4 126 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 CNP0033092.0 [0,1,0,0,0,1|2,0,0]=4 127 B12R1.43 NC(=CC1=CC=CC=C1)C(=O)O CNP0502610.0 [0,1,0,0,0,1|2,0,0]=4 128 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)O CNP0271736.0 [0,1,0,0,0,1|2,0,0]=4 129 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)S CNP0539031.0 [0,1,0,0,0,1|2,0,0]=4 130 B12R1.43 O=C(O)C(=CC1=CC=NC=C1)O CNP0276347.0 [0,1,0,0,0,1|2,0,0]=4 131 B12R1.43 O=C(O)C(=O)C=C1C=CNC=C1 CNP0483926.0 [0,1,0,0,0,1|2,0,0]=4 132 B12R1.107 CC(=CC(=O)C1=CC=CC=C1)N CNP0032196.0 [0,1,0,0,0,1|2,0,0]=4 133 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [0,1,0,0,0,1|1,0,1]=4 134 B12R1.125 CC(=O)C=CC1=CC=CC=C1O CNP0537172.0 [0,1,0,0,0,1|1,0,0]=3 135 B12R1.125 CC1=CC=CC=C1C=CC(=O)N CNP0278078.0 [0,1,0,0,0,1|2,0,0]=4 136 B12R1.125 CC1=CC=CC=C1C=CC(=O)O CNP0254758.0 [0,1,0,0,0,1|2,0,0]=4 137 B12R1.125 CC1=CC=NC=C1C=CC(=O)O CNP0467544.0 [0,1,0,0,0,1|2,0,0]=4 138 B12R1.125 NC1=CC=CC=C1C=CC(=O)O CNP0453465.0 [0,1,0,0,0,1|2,0,0]=4 139 B12R1.125 O=C(O)/C=C/C1=CC=CC[C@@H]1O CNP0190830.1 [0,1,0,0,0,1|2,0,0]=4 140 B12R1.125 O=C(O)C=CC1=CC=CC=C1Cl CNP0576243.0 [0,1,0,0,0,1|2,0,0]=4 141 B12R1.125 O=C(O)C=CC1=CC=CC=C1O CNP0207361.0 [0,1,0,0,0,1|2,0,0]=4 142 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br CNP0574767.0 [0,1,0,0,0,1|2,0,0]=4 143 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Cl CNP0394142.0 [0,1,0,0,0,1|2,0,0]=4 144 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)O CNP0335428.0 [0,1,0,0,0,1|2,0,0]=4 145 B12R1.54 O=C(O)CNC(=O)C1=CC=CO1 CNP0131505.0 [0,1,0,0,0,1|1,0,1]=4 146 B12R1.105 CC(=O)NN=CC1=CC=C(O1)N CNP0254628.0 [0,1,0,0,0,1|1,0,0]=3 147 B12R1.15 CCC(=O)CC(=O)C1=CC=CN1 CNP0583528.0 [0,2,0,0,0,0|1,0,1]=4 148 B12R1.15 COC(=O)NC(=O)C1=CC=CN1 CNP0432685.0 [0,2,0,0,0,0|2,0,0]=4 149 B12R1.51 CC=CC(=O)OCC1=CC=CO1 CNP0506624.0 [0,2,0,0,0,0|1,0,1]=4 150 B12R1.51 CCCC(=O)OCC1=CC=CO1 CNP0002783.0 [0,2,0,0,0,0|1,0,1]=4 151 B12R1.51 CCOC(=O)C=CC1=CC=CO1 CNP0393898.0 [0,2,0,0,0,0|0,0,0]=2 152 B12R1.51 CCOC(=O)C=CC1=CNC=N1 CNP0226961.0 [0,2,0,0,0,0|2,0,0]=4 153 B12R1.51 CCOC(=O)CCC1=CC=CO1 CNP0003158.0 [0,2,0,0,0,0|0,0,2]=4 154 B12R1.51 CCOC(=O)SCC1=CC=CO1 CNP0352515.0 [0,2,0,0,0,0|1,0,1]=4 155 B12R1.108 COC(=O)N(C)CC1=CC=CO1 CNP0143530.0 [0,2,0,0,0,0|1,0,1]=4 156 B12R1.298 N#CC(=CC1=CC=CO1)C(=O)N CNP0120441.0 [0,2,0,0,0,0|1,0,0]=3 157 B12R1.298 N#CC(=CC1=CC=CO1)C(=O)O CNP0478188.0 [0,2,0,0,0,0|1,0,0]=3 158 B12R1.59 CC(=O)C=CC1=CC=C(O1)CO CNP0211846.0 [0,2,0,0,0,0|0,0,0]=2 159 B12R1.59 CC(=O)OCC1=CC=C(O1)C=O CNP0144118.0 [0,2,0,0,0,0|1,0,1]=4 160 B12R1.59 CC(=O)OCC1=CC=C(O1)CO CNP0421204.0 [0,2,0,0,0,0|1,0,1]=4 161 B12R1.144 C=C(C)CC(=O)C1=C(C=CO1)C CNP0566600.0 [0,2,0,0,0,0|1,0,1]=4 162 B12R1.144 CC(=CC(=O)C1=C(C=CO1)C)C CNP0158300.0 [0,2,0,0,0,0|1,0,0]=3 163 B10R1.10 CC=CC1=CC=CC(=O)O1 CNP0113670.0 [0,0,1,1,0,0|2,0,0]=4 164 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [0,0,1,1,0,0|2,0,0]=4 165 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [0,0,1,1,0,0|1,0,1]=4 166 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [0,0,1,1,0,0|2,0,0]=4 167 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [0,0,1,1,0,0|2,0,0]=4 168 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [0,0,1,1,0,0|2,0,0]=4 169 B10R1.18 CC(=O)OC1=CCC=CO1 CNP0436618.0 [0,0,1,1,0,0|1,0,1]=4 170 B10R1.39 CC(=O)C1=CNC=C1CO CNP0148283.0 [0,0,1,1,0,0|1,0,1]=4 171 B10R1.39 CC(=O)N1C=CC=C1C=O CNP0167841.0 [0,0,1,1,0,0|1,0,1]=4 172 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [0,0,1,1,0,0|2,0,0]=4 173 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [0,0,1,1,0,0|1,0,0]=3 174 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [0,0,1,1,0,0|1,0,0]=3 175 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [0,0,1,1,0,0|0,0,0]=2 176 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [0,0,1,1,0,0|2,0,0]=4 177 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [0,0,1,1,0,0|1,0,1]=4 178 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [0,0,1,1,0,0|2,0,0]=4 179 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [0,0,1,1,0,0|1,0,1]=4 180 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [0,0,1,1,0,0|2,0,0]=4 181 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [0,0,1,1,0,0|2,0,0]=4 182 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [0,0,1,1,0,0|2,0,0]=4 183 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [0,0,1,1,0,0|2,0,0]=4 184 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [0,0,1,1,0,0|2,0,0]=4 185 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [0,0,1,1,0,0|1,0,0]=3 186 B10R1.61 NC(=O)C1=CN=CC=C1O CNP0172133.0 [0,0,1,1,0,0|2,0,0]=4 187 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [0,0,1,1,0,0|2,0,0]=4 188 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [0,0,1,1,0,0|2,0,0]=4 189 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [0,0,1,1,0,0|1,0,0]=3 190 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [0,0,1,1,0,0|1,1,0]=4 191 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [0,0,1,1,0,0|1,0,1]=4 192 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [0,0,1,1,0,0|1,0,1]=4 193 B10R1.61 O=C(O)C1=CC=NC=C1O CNP0519260.0 [0,0,1,1,0,0|2,0,0]=4 194 B10R1.61 O=C(O)C1=CN=CC=C1O CNP0530780.0 [0,0,1,1,0,0|2,0,0]=4 195 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [0,0,1,1,0,0|2,0,0]=4 196 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [0,0,1,1,0,0|1,0,0]=3 197 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [0,0,1,1,0,0|1,0,0]=3 198 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [0,0,1,1,0,0|1,0,0]=3 199 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [0,0,1,1,0,0|1,1,0]=4 200 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [0,0,1,1,0,0|2,0,0]=4 201 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [0,0,1,1,0,0|2,0,0]=4 202 B10R1.77 CC1=CC=CC=CC(=O)O1 CNP0427584.0 [0,0,1,1,0,0|0,0,2]=4 203 B10R1.31 COC1=CC=C(O1)C(=O)C CNP0311546.0 [0,0,1,1,0,0|1,0,1]=4 204 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [0,0,1,1,0,0|2,0,0]=4 205 B10R1.30 C=CC1=CC(=CC=C1C)C CNP0027363.0 [0,0,1,1,0,0|2,0,0]=4 206 B10R1.59 CC(=O)C1=C(OC(=C1)C)C CNP0003652.0 [0,0,1,1,0,0|0,0,2]=4 207 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [0,0,1,1,0,0|2,0,0]=4 208 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [0,0,1,1,0,0|2,0,0]=4 209 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [0,0,1,1,0,0|1,0,0]=3 210 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [0,0,1,1,0,0|0,0,0]=2 211 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [0,0,1,1,0,0|2,0,0]=4 212 B10R1.113 CC(=O)C1=CC=NC(=C1)C CNP0130309.0 [0,0,1,1,0,0|1,0,1]=4 213 B10R1.113 CC(C)C1=CC=CC(=C1)O CNP0246144.0 [0,0,1,1,0,0|1,0,1]=4 214 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [0,0,1,1,0,0|0,0,2]=4 215 B10R1.113 CC1=CC=CC(=C1)C(=O)Cl CNP0329068.0 [0,0,1,1,0,0|2,0,0]=4 216 B10R1.113 CC1=CC=CC(=C1)C(=O)N CNP0150793.0 [0,0,1,1,0,0|2,0,0]=4 217 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [0,0,1,1,0,0|2,0,0]=4 218 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [0,0,1,1,0,0|0,0,2]=4 219 B10R1.113 NC(=O)C1=CC=CC(=C1)Br CNP0018100.0 [0,0,1,1,0,0|2,0,0]=4 220 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CNP0036584.0 [0,0,1,1,0,0|2,0,0]=4 221 B10R1.113 NC(=O)C1=CC=CC(=C1)N CNP0576660.0 [0,0,1,1,0,0|2,0,0]=4 222 B10R1.113 NC(=O)C1=CC=CC(=C1)O CNP0113657.0 [0,0,1,1,0,0|1,0,0]=3 223 B10R1.113 NC1=CC=CC(=C1)C(=O)O CNP0081123.0 [0,0,1,1,0,0|2,0,0]=4 224 B10R1.113 O=C(Cl)C1=CC=CC(=C1)Br CNP0018295.0 [0,0,1,1,0,0|2,0,0]=4 225 B10R1.113 O=C(O)C1=CC=CC(=C1)Br CNP0356258.0 [0,0,1,1,0,0|2,0,0]=4 226 B10R1.113 O=C(O)C1=CC=CC(=C1)Cl CNP0206363.0 [0,0,1,1,0,0|2,0,0]=4 227 B10R1.113 O=C(O)C1=CC=CC(=C1)O CNP0217243.0 [0,0,1,1,0,0|1,0,0]=3 228 B10R1.113 O=C(O)C1=CN=CC(=C1)O CNP0573743.0 [0,0,1,1,0,0|2,0,0]=4 229 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [1,0,0,1,0,0|1,0,1]=4 230 B10R2.7 C1=CC2=CC=CC=C2[N]1 CNP0479391.0 [1,0,0,1,0,0|1,0,1]=4 231 B10R2.7 C1=CC2=CC=CN2C=C1 CNP0429574.0 [1,0,0,1,0,0|1,0,1]=4 232 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [1,0,0,1,0,0|2,0,0]=4 233 B10R2.7 C1=CC=C2NC=CC2=C1 CNP0118430.0 [1,0,0,1,0,0|1,0,1]=4 234 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [1,0,0,1,0,0|0,0,1]=3 235 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [1,0,0,1,0,0|1,0,1]=4 236 B10R2.7 C1=CC=C2SC=CC2=C1 CNP0172612.0 [1,0,0,1,0,0|0,1,1]=4 237 B12R2.24 CC1=CC=C2C=CC=CC2=C1 CNP0213194.0 [0,0,0,1,0,1|2,0,0]=4 238 B12R2.24 CC1=CC=C2C=CC=CC2=N1 CNP0281354.0 [0,0,0,1,0,1|2,0,0]=4 239 B12R2.24 CC1=CC=C2C=CC=NC2=C1 CNP0141465.0 [0,0,0,1,0,1|2,0,0]=4 240 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CNP0266426.0 [0,0,0,1,0,1|2,0,0]=4 241 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CNP0300772.0 [0,0,0,1,0,1|2,0,0]=4 242 B12R2.24 CC1=CC=C2N=CC=NC2=C1 CNP0194351.0 [0,0,0,1,0,1|2,0,0]=4 243 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [0,0,0,1,0,1|1,0,0]=3 244 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CNP0583881.0 [0,0,0,1,0,1|2,0,0]=4 245 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CNP0225025.0 [0,0,0,1,0,1|2,0,0]=4 246 B12R2.24 OC1=CC=C2OCC=CC2=C1 CNP0535758.0 [0,0,0,1,0,1|0,0,2]=4 247 B12R2.24 [11CH3]C1=CC=C2C=CC=CC2=C1 CNP0527809.0 [0,0,0,1,0,1|2,0,0]=4 248 B12R2.6 CC1=CC=C(S1)C2=CC=CS2 CNP0424788.0 [0,0,0,1,0,1|0,2,0]=4 249 B12R2.6 O=C1C=C(CO1)C2=CC=CO2 CNP0215277.0 [0,0,0,1,0,1|0,0,2]=4 250 B12R2.44 COC1=CC=C2CC=CC2=C1 CNP0276821.0 [0,1,0,1,0,0|2,0,0]=4 251 B12R2.44 COC1=CC=C2NC=CC2=C1 CNP0118341.0 [0,1,0,1,0,0|2,0,0]=4 252 B12R2.44 COC1=CC=C2OC=CC2=C1 CNP0295160.0 [0,1,0,1,0,0|1,0,0]=3 253 B12R2.44 O=CC1=CC=C2NC=CC2=C1 CNP0257577.0 [0,1,0,1,0,0|1,0,1]=4 254 B12R2.44 O=CC1=CC=C2OC=CC2=C1 CNP0118306.0 [0,1,0,1,0,0|0,0,1]=3 255 B12R2.44 OCC1=CC=C2OC=CC2=C1 CNP0151111.0 [0,1,0,1,0,0|1,0,0]=3 256 B12R2.82 CC1=CC=C2OC=CC2=C1C CNP0353341.0 [0,1,0,1,0,0|1,0,0]=3 257 B12R2.100 CC1=CC2=C(C=C1C)OC=C2 CNP0161352.0 [0,1,0,1,0,0|1,0,0]=3 258 B12R2.100 O=C1C=C2C=CNC2=CC1=O CNP0225091.0 [0,1,0,1,0,0|1,0,1]=4 259 B12R2.252 O=C(O)C1=CC2=C(N1)C=CO2 CNP0193884.0 [0,1,0,1,0,0|1,0,0]=3 260 B12R2.606 CC1=CC2=CC(=O)OC2=CO1 CNP0522560.0 [0,1,0,1,0,0|2,0,0]=4 261 B12R2.606 CC1=CC=C2SC(=CC2=N1)C CNP0230273.0 [0,1,0,1,0,0|1,1,0]=4 262 B12R2.246 CC1=CC(=C2OC=CC2=C1)C CNP0283975.0 [0,1,0,1,0,0|1,0,0]=3 263 B12R2.246 CC1=CC(=O)OC2=C1OC=C2 CNP0311589.0 [0,1,0,1,0,0|1,0,0]=3 264 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,0,0,0,2,0|2,0,0]=4 265 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [0,0,0,0,2,0|1,0,0]=3 266 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,0,0,0,2,0|0,0,0]=2 267 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [0,0,0,0,2,0|0,1,0]=3 268 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [0,0,0,0,2,0|2,0,0]=4 269 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [0,0,0,0,2,0|1,0,0]=3 270 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [0,0,0,0,2,0|1,1,0]=4 271 B8R1.7 CC(=O)C1CC=CO1 CNP0077183.0 [0,0,0,0,2,0|0,0,2]=4 272 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [0,0,0,0,2,0|2,0,0]=4 273 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [0,0,0,0,2,0|1,0,1]=4 274 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,0,0,0,2,0|0,0,2]=4 275 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [0,0,0,0,2,0|0,1,1]=4 276 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [0,0,0,0,2,0|2,0,0]=4 277 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [0,0,0,0,2,0|1,0,0]=3 278 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [0,0,0,0,2,0|2,0,0]=4 279 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [0,0,0,0,2,0|1,0,0]=3 280 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [1,0,0,0,0,1|1,0,1]=4 281 B10R1.17 CC=CCC1=CC=CCC1 CNP0130586.0 [1,0,0,0,0,1|1,0,1]=4 282 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [1,0,0,0,0,1|1,0,1]=4 283 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [1,0,0,0,0,1|1,0,0]=3 284 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 CNP0071032.0 [0,0,0,0,0,2|2,0,0]=4 285 B12R1.252 NC(=O)CC=CC1=CC=CC=C1 CNP0073923.0 [0,0,0,0,0,2|2,0,0]=4 286 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 CNP0242436.0 [0,0,0,0,0,2|2,0,0]=4 287 B12R1.252 O=C(O)CC=CC1=CC=CN=C1 CNP0110379.0 [0,0,0,0,0,2|2,0,0]=4 288 B12R1.255 O=C(O)C=CC#CC1=CC=CS1 CNP0515758.0 [0,0,0,0,0,2|1,1,0]=4