0 B10R1.66 CC(=O)C=CC1=CC=CO1 CNP0253881.0 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [0,0,0,0,0,0|0,1,0]=1 2 B10R1.66 CC(=O)SCC1=CC=CO1 CNP0018548.0 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.66 CC(C)SCC1=CC=CO1 CNP0002931.0 [0,0,0,0,0,0|1,0,1]=2 4 B10R1.66 NC(=O)C=CC1=CC=CO1 CNP0083004.0 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.66 O=C(O)C=CC1=CC=CO1 CNP0477259.0 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.66 O=C(O)CCC1=CN=CN1 CNP0491849.0 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.66 O=C(O)CCC1=CNC=N1 CNP0199628.0 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.66 O=C(O)CCC1=COC=N1 CNP0072528.0 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.66 O=[N+]([O-])C=CC1=CC=CO1 CNP0511622.0 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [1,0,0,0,0,0|0,1,1]=3 13 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [1,0,0,0,0,0|0,0,1]=2 14 B9R1.12 CSSCC1=CC=CO1 CNP0002883.0 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.12 O=CC#CC1=CC=CS1 CNP0321197.0 [1,0,0,0,0,0|1,1,1]=4 16 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [1,0,0,0,0,0|1,0,1]=3 17 B9R1.12 O=CNCC1=CC=CO1 CNP0029329.0 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.12 O=COCC1=CC=CO1 CNP0574943.0 [1,0,0,0,0,0|0,1,0]=2 19 B9R1.12 O=CSCC1=CC=CO1 CNP0002781.0 [1,0,0,0,0,0|0,0,0]=1 20 B11R1.25 CCC(=O)CCC1=CC=CO1 CNP0542215.0 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.25 CCC(=O)OCC1=CC=CO1 CNP0002784.0 [0,1,0,0,0,0|0,1,0]=2 22 B11R1.25 CCC(=O)SCC1=CC=CO1 CNP0002780.0 [0,1,0,0,0,0|0,0,0]=1 23 B11R1.25 COC(=O)C=CC1=CC=CO1 CNP0003236.0 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.25 COC(=O)CCC1=CN=CN1 CNP0181741.0 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.25 COC(=O)CCC1=CNC=N1 CNP0531960.0 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O CNP0037775.1 [0,1,0,0,0,0|2,1,0]=4 27 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O CNP0037775.2 [0,1,0,0,0,0|2,1,0]=4 28 B11R1.75 CC(=CCC1=CC(=CO1)C)C CNP0186126.0 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.75 CC(=O)OC[C@@H]1C=CC(=O)O1 CNP0406900.1 [0,1,0,0,0,0|0,1,1]=3 30 B11R1.75 O=C(O)CCN1C=CC(=O)O1 CNP0135411.0 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.77 CC(=O)CC(=O)C1=CC=CO1 CNP0334244.0 [0,1,0,0,0,0|1,0,1]=3 32 B11R1.90 C=C(C)C=CC1=C(C=CO1)C CNP0277350.0 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.90 C=C(C)CCC1=C(C=CO1)C CNP0194352.0 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.90 CC(=CCC1=C(C=CO1)C)C CNP0224893.0 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.90 CC(=CCC1=C(C=CS1)C)C CNP0298862.0 [0,1,0,0,0,0|2,1,0]=4 36 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [0,0,1,0,0,0|2,0,0]=3 37 B11R2.36 CC1=NN=C2OC=CC2=N1 CNP0153624.0 [0,0,0,1,0,0|3,0,0]=4 38 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [0,0,0,0,1,0|0,0,0]=1 39 B9R1.13 CC(=O)NC1=NC=CS1 CNP0054817.0 [0,0,0,0,1,0|2,1,0]=4 40 B9R1.13 CC(=O)NC1=NNC=C1 CNP0230807.0 [0,0,0,0,1,0|3,0,0]=4 41 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [0,0,0,0,1,0|0,1,0]=2 42 B9R1.13 CC(C)CC1=CC=CS1 CNP0326007.0 [0,0,0,0,1,0|1,1,1]=4 43 B9R1.13 O=C(O)CC1=CC=CS1 CNP0036225.0 [0,0,0,0,1,0|1,1,0]=3 44 B9R1.13 O=C(O)CC1=CN=CN1 CNP0253943.0 [0,0,0,0,1,0|3,0,0]=4 45 B9R1.13 O=C(O)CC1=CNC=N1 CNP0530503.0 [0,0,0,0,1,0|3,0,0]=4 46 B9R1.13 O=C(O)CC1=CSC=C1 CNP0525463.0 [0,0,0,0,1,0|3,0,0]=4 47 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,0,0,0,0,1|3,0,0]=4 48 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,0,0,0,0,1|2,0,1]=4 49 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,0,0,0,0,1|2,0,0]=3 50 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,0,0,0,0,1|1,1,0]=3 51 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [0,0,0,0,0,1|2,1,0]=4 52 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [0,0,0,0,0,1|3,0,0]=4 53 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [0,0,0,0,0,1|3,0,0]=4 54 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [0,0,0,0,0,1|3,0,0]=4 55 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,0,0,0,0,1|3,0,0]=4 56 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,0,0,0,0,1|3,0,0]=4 57 B11R1.172 CC(=O)CCCC1=CC=CO1 CNP0518396.0 [0,0,0,0,0,1|1,0,0]=2 58 B11R1.172 CC(=O)NCCC1=CN=CN1 CNP0128477.0 [0,0,0,0,0,1|3,0,0]=4 59 B11R1.172 CC(=O)NCCC1=CNC=N1 CNP0497661.0 [0,0,0,0,0,1|3,0,0]=4 60 B11R1.172 O=C(O)CCCC1=CC=CS1 CNP0560045.0 [0,0,0,0,0,1|2,1,0]=4 61 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [2,0,0,0,0,0|0,0,1]=3 62 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [2,0,0,0,0,0|0,0,1]=3 63 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [2,0,0,0,0,0|0,0,1]=3 64 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [2,0,0,0,0,0|0,1,1]=4 65 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [2,0,0,0,0,0|0,1,0]=3 66 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [2,0,0,0,0,0|0,0,0]=2 67 B8R1.8 CSSC1=CC=CS1 CNP0077836.0 [2,0,0,0,0,0|1,1,0]=4 68 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [2,0,0,0,0,0|0,0,0]=2 69 B8R1.8 O=CCC1=CN=CN1 CNP0573000.0 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.8 O=CCC1=CNC=N1 CNP0083568.0 [2,0,0,0,0,0|2,0,0]=4 71 B10R0.4 C=CC=CC=CCCC(=O)C CNP0477041.0 [0,1,1,0,0,0|2,0,0]=4 72 B10R0.78 C=CCOC(=O)CCC(=O)C CNP0609110.0 [0,1,1,0,0,0|1,0,1]=4 73 B10R1.16 CCCCC1=CC(=CO1)C CNP0574167.0 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.21 CCC=CCC1=CC=CO1 CNP0453749.0 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.21 CCCCCC1=CC=CO1 CNP0210535.0 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.27 CC(=CC1=CC=CO1)C=O CNP0085269.0 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.27 CCC(=O)CC1=CC=CO1 CNP0611998.0 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.23 CC(=O)C(=O)C1=CC=CO1 CNP0137174.0 [0,1,0,0,1,0|0,0,1]=3 79 B10R1.23 CC(=O)C(=O)C1=CC=CS1 CNP0002573.0 [0,1,0,0,1,0|0,1,1]=4 80 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 CNP0491951.1 [0,1,0,0,1,0|1,1,0]=4 81 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 CNP0491951.2 [0,1,0,0,1,0|1,1,0]=4 82 B10R1.54 CC(=O)CC1=CC=C(O1)C CNP0609799.0 [0,1,0,0,1,0|0,0,0]=2 83 B10R1.54 CC(=O)N[C@@H]1C=CC(=O)O1 CNP0482331.1 [0,1,0,0,1,0|1,0,1]=4 84 B10R1.54 O=C(Cl)C[C@H]1C=CC(=O)O1 CNP0017575.1 [0,1,0,0,1,0|1,0,1]=4 85 B10R1.54 O=C(O)C=C1C=CC(=O)O1 CNP0438543.0 [0,1,0,0,1,0|1,0,1]=4 86 B10R1.54 O=C(O)CC1=CCC(=O)O1 CNP0288626.0 [0,1,0,0,1,0|1,0,1]=4 87 B10R1.54 O=C(O)CN1C=CC(=O)O1 CNP0301133.0 [0,1,0,0,1,0|2,0,0]=4 88 B10R1.54 O=C(O)C[C@@H]1C=CC(=O)O1 CNP0273929.2 [0,1,0,0,1,0|1,0,1]=4 89 B10R1.54 O=C(O)C[C@H]1C=CC(=O)O1 CNP0273929.1 [0,1,0,0,1,0|1,0,1]=4 90 B10R1.64 CC(=O)CC1=C(C=CO1)C CNP0076562.0 [0,1,0,0,1,0|0,0,0]=2 91 B10R1.281 C[N+](C)(C)CC1=CC=CO1 CNP0606756.0 [0,1,0,0,1,0|2,0,0]=4 92 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [0,1,0,0,0,1|1,1,0]=4 96 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [0,1,0,0,0,1|1,1,0]=4 98 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [0,1,0,0,0,1|1,1,0]=4 100 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.43 CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0353502.1 [0,1,0,0,0,1|2,0,0]=4 102 B12R1.107 CC(=O)C[C@@H](O)C1=CC=CC=N1 CNP0267055.1 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.107 CC(=O)C[C@@H](O)C1=CC=NC=C1 CNP0073632.2 [0,1,0,0,0,1|2,0,0]=4 104 B12R1.107 CC(=O)C[C@H](O)C1=CC=CC=N1 CNP0267055.2 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 CNP0214274.1 [0,1,0,0,0,1|1,1,0]=4 106 B12R1.125 CC(=O)CCC1=CC=CC=C1O CNP0273155.0 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0497682.0 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0512452.0 [0,1,0,0,0,1|2,0,0]=4 109 B12R1.125 CC(=O)NCC1=CN=CC=C1C CNP0202151.0 [0,1,0,0,0,1|2,0,0]=4 110 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [0,1,0,0,0,1|1,1,0]=4 111 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [0,1,0,0,0,1|1,1,0]=4 112 B12R1.105 CC(=O)NN=CC1=CC=C(O1)N CNP0254628.0 [0,1,0,0,0,1|1,0,1]=4 113 B12R1.51 CC=CC(=O)OCC1=CC=CO1 CNP0506624.0 [0,2,0,0,0,0|0,1,0]=3 114 B12R1.51 CCCC(=O)OCC1=CC=CO1 CNP0002783.0 [0,2,0,0,0,0|0,1,0]=3 115 B12R1.51 CCOC(=O)C=CC1=CC=CO1 CNP0393898.0 [0,2,0,0,0,0|1,0,1]=4 116 B12R1.51 CCOC(=O)CCC1=CC=CO1 CNP0003158.0 [0,2,0,0,0,0|1,0,0]=3 117 B12R1.51 CCOC(=O)SCC1=CC=CO1 CNP0352515.0 [0,2,0,0,0,0|0,0,0]=2 118 B12R1.108 COC(=O)N(C)CC1=CC=CO1 CNP0143530.0 [0,2,0,0,0,0|1,0,0]=3 119 B12R1.59 CC(=O)C=CC1=CC=C(O1)CO CNP0211846.0 [0,2,0,0,0,0|1,0,1]=4 120 B12R1.59 CC(=O)OCC1=CC=C(O1)C=O CNP0144118.0 [0,2,0,0,0,0|0,1,0]=3 121 B12R1.59 CC(=O)OCC1=CC=C(O1)CO CNP0421204.0 [0,2,0,0,0,0|0,1,0]=3 122 B12R1.861 CC(=O)CCC1OC(=O)C=C1C CNP0267510.0 [0,2,0,0,0,0|1,0,1]=4 123 B12R1.3799 CC(=O)OC[C@]1(C=CC(=O)O1)C CNP0313384.1 [0,2,0,0,0,0|0,1,1]=4 124 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [0,0,1,1,0,0|1,0,1]=4 125 B10R1.59 CC(=O)N1CC(=CC1=O)O CNP0330308.0 [0,0,1,1,0,0|2,0,0]=4 126 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [0,0,1,1,0,0|1,0,1]=4 127 B10R2.7 C1=CN2C=CC=C2CS1 CNP0386414.0 [1,0,0,1,0,0|1,0,1]=4 128 B10R2.32 O=C1CCC2=C1C=CS2 CNP0047284.0 [1,0,0,1,0,0|1,1,0]=4 129 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [0,0,0,1,0,1|1,1,0]=4 130 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,0,0,1,0,1|2,0,0]=4 131 B12R2.6 O=C1C=C(CO1)C2=CC=CO2 CNP0215277.0 [0,0,0,1,0,1|0,1,1]=4 132 B12R2.2314 O=C1C[C@@]2(CO1)OC=CC2=O CNP0326918.1 [0,1,0,1,0,0|0,1,1]=4 133 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,0,0,0,2,0|2,0,0]=4 134 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [0,0,0,0,2,0|1,0,0]=3 135 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,0,0,0,2,0|0,0,0]=2 136 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [0,0,0,0,2,0|0,1,0]=3 137 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [0,0,0,0,2,0|2,0,0]=4 138 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [0,0,0,0,2,0|1,0,0]=3 139 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [0,0,0,0,2,0|1,1,0]=4 140 B8R1.7 CC(=O)C1CC=CO1 CNP0077183.0 [0,0,0,0,2,0|0,0,2]=4 141 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [0,0,0,0,2,0|2,0,0]=4 142 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [0,0,0,0,2,0|1,0,1]=4 143 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,0,0,0,2,0|0,0,2]=4 144 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [0,0,0,0,2,0|0,1,1]=4 145 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [0,0,0,0,2,0|2,0,0]=4 146 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [0,0,0,0,2,0|1,0,0]=3 147 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [0,0,0,0,2,0|2,0,0]=4 148 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [0,0,0,0,2,0|1,0,0]=3 149 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [1,0,0,0,0,1|2,0,0]=4 150 B10R1.17 CC=CCC1=CC=CCC1 CNP0130586.0 [1,0,0,0,0,1|2,0,0]=4 151 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [1,0,0,0,0,1|1,0,1]=4 152 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [1,0,0,0,0,1|2,0,0]=4 153 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [1,0,0,0,0,1|2,0,0]=4 154 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [1,0,0,0,0,1|2,0,0]=4 155 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [1,0,0,0,0,1|1,1,0]=4 156 B12R1.252 CC(=O)NCCC1=CC=CC=C1 CNP0298057.0 [0,0,0,0,0,2|2,0,0]=4 157 B12R1.252 CC(=O)OCCC1=CC=CC=C1 CNP0195113.0 [0,0,0,0,0,2|1,1,0]=4 158 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CNP0438400.0 [0,0,0,0,0,2|2,0,0]=4