0 B10R1.66 CC(=O)C=CC1=CC=CO1 CNP0253881.0 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.66 CC(=O)SCC1=CC=CO1 CNP0018548.0 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.66 CC(C)CCC1=COC=C1 CNP0161976.0 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.66 CC(C)SCC1=CC=CO1 CNP0002931.0 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.66 CN(C)CCC1=CN=CN1 CNP0107376.0 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.66 CN(C)CCC1=CNC=N1 CNP0604899.0 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.66 NC(=O)C=CC1=CC=CO1 CNP0083004.0 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.66 O=C(O)C=CC1=CC=CO1 CNP0477259.0 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.66 O=C(O)CCC1=CN=CN1 CNP0491849.0 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.66 O=C(O)CCC1=CNC=N1 CNP0199628.0 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.66 O=C(O)CCC1=COC=N1 CNP0072528.0 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.66 O=C(O)CCN1C=CN=C1 CNP0153546.0 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.66 O=[N+]([O-])C=CC1=CC=CO1 CNP0511622.0 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [1,0,0,0,0,0|0,0,1]=2 15 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [1,0,0,0,0,0|1,0,1]=3 16 B9R1.12 CCCCC1=COC=N1 CNP0003922.0 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.12 CCCCC1=CSC=C1 CNP0227765.0 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.12 CCCCN1C=CC=C1 CNP0209337.0 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [1,0,0,0,0,0|1,0,1]=3 21 B9R1.12 CNCCC1=CN=CN1 CNP0485741.0 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.12 CSSCC1=CC=CO1 CNP0002883.0 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.12 O=CC#CC1=CC=CS1 CNP0321197.0 [1,0,0,0,0,0|0,1,2]=4 24 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [1,0,0,0,0,0|0,0,2]=3 25 B9R1.12 O=CNCC1=CC=CO1 CNP0029329.0 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.12 O=COCC1=CC=CO1 CNP0574943.0 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.12 O=CSCC1=CC=CO1 CNP0002781.0 [1,0,0,0,0,0|1,0,0]=2 28 B11R1.25 CCC(=O)CCC1=CC=CO1 CNP0542215.0 [0,1,0,0,0,0|0,0,0]=1 29 B11R1.25 CCC(=O)OCC1=CC=CO1 CNP0002784.0 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.25 CCC(=O)SCC1=CC=CO1 CNP0002780.0 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.25 COC(=O)C=CC1=CC=CO1 CNP0003236.0 [0,1,0,0,0,0|0,0,2]=3 32 B11R1.25 COC(=O)CCC1=CN=CN1 CNP0181741.0 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.25 COC(=O)CCC1=CNC=N1 CNP0531960.0 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.35 CC(CC1=CNC=N1)C(=O)O CNP0226071.0 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.35 NC(=O)C(N)CC1=CN=CN1 CNP0554963.0 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.35 NC(CC1=NC=CN1)C(=O)O CNP0110226.0 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.35 NC(CC1=NC=CS1)C(=O)O CNP0336095.0 [0,1,0,0,0,0|2,1,0]=4 38 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O CNP0037775.1 [0,1,0,0,0,0|1,1,0]=3 39 B11R1.35 N[C@@H](CC1=CN=CN1)C(=O)O CNP0584490.2 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O CNP0161367.1 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.35 N[C@@H](CC1=NC=CN1)C(=O)O CNP0110226.1 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.35 N[C@@H](CN1C=CC=C1)C(=O)O CNP0507224.1 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.35 N[C@@H](CN1C=CC=N1)C(=O)O CNP0296227.1 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O CNP0037775.2 [0,1,0,0,0,0|1,1,0]=3 45 B11R1.35 N[C@H](CC1=CN=CN1)C(=O)O CNP0584490.1 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.35 N[C@H](CC1=CNC=N1)C(=O)O CNP0161367.2 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.35 N[C@H](CN1C=CC=C1)C(=O)O CNP0507224.2 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.35 N[C@H](CN1C=CC=N1)C(=O)O CNP0296227.2 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.35 O=C(O)C(O)CC1=CNC=N1 CNP0534180.0 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.35 O=C(O)[C@@H](O)CC1=CN=CN1 CNP0195524.1 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.75 CC(=CCC1=CC(=CO1)C)C CNP0186126.0 [0,1,0,0,0,0|1,0,1]=3 52 B11R1.75 CC(=O)OC[C@@H]1C=CC(=O)O1 CNP0406900.1 [0,1,0,0,0,0|1,0,1]=3 53 B11R1.75 O=C(O)CCC1=CC(=O)CC1 CNP0183676.0 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.75 O=C(O)CCC1=CC(=O)OC1 CNP0583583.0 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.75 O=C(O)CCN1C=CC(=O)O1 CNP0135411.0 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.77 CC(=O)CC(=O)C1=CC=CO1 CNP0334244.0 [0,1,0,0,0,0|0,0,1]=2 57 B11R1.77 N[C@@H](CC(=O)O)C1=NC=CS1 CNP0270523.1 [0,1,0,0,0,0|2,1,0]=4 58 B11R1.90 C=C(C)C=CC1=C(C=CO1)C CNP0277350.0 [0,1,0,0,0,0|1,0,2]=4 59 B11R1.90 C=C(C)CCC1=C(C=CO1)C CNP0194352.0 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.90 C=C(C)CC[C@H]1OCC=C1C CNP0290949.1 [0,1,0,0,0,0|1,0,2]=4 61 B11R1.90 CC(=CCC1=C(C=CO1)C)C CNP0224893.0 [0,1,0,0,0,0|1,0,1]=3 62 B11R1.90 CC(=CCC1=C(C=CS1)C)C CNP0298862.0 [0,1,0,0,0,0|1,1,1]=4 63 B11R1.90 CC1=CNC=C1CCC(=O)O CNP0612044.0 [0,1,0,0,0,0|3,0,0]=4 64 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [0,0,1,0,0,0|1,0,2]=4 65 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [0,0,1,0,0,0|1,0,0]=2 66 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,0,1,0,0,0|1,0,2]=4 67 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [0,0,1,0,0,0|1,0,2]=4 68 B11R2.36 CC1=NN=C2OC=CC2=N1 CNP0153624.0 [0,0,0,1,0,0|3,0,0]=4 69 B11R2.845 O=C(O)[C@@H]1C[C@H]2C=C[C@H]1O2 CNP0485144.1 [0,0,0,1,0,0|1,0,2]=4 70 B11R2.845 O=C(O)[C@H]1C[C@H]2C=C[C@H]1O2 CNP0485144.2 [0,0,0,1,0,0|1,0,2]=4 71 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [0,0,0,0,1,0|0,0,0]=1 72 B9R1.13 CC(=O)NC1=NC=CS1 CNP0054817.0 [0,0,0,0,1,0|2,1,0]=4 73 B9R1.13 CC(=O)NC1=NNC=C1 CNP0230807.0 [0,0,0,0,1,0|3,0,0]=4 74 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [0,0,0,0,1,0|1,0,0]=2 75 B9R1.13 CC(C)CC1=CC=CS1 CNP0326007.0 [0,0,0,0,1,0|1,1,1]=4 76 B9R1.13 O=C(O)CC1=CC=CS1 CNP0036225.0 [0,0,0,0,1,0|1,1,0]=3 77 B9R1.13 O=C(O)CC1=CN=CN1 CNP0253943.0 [0,0,0,0,1,0|3,0,0]=4 78 B9R1.13 O=C(O)CC1=CNC=N1 CNP0530503.0 [0,0,0,0,1,0|3,0,0]=4 79 B9R1.13 O=C(O)CC1=CSC=C1 CNP0525463.0 [0,0,0,0,1,0|3,0,0]=4 80 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,0,0,0,0,1|2,0,1]=4 81 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,0,0,0,0,1|1,0,2]=4 82 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,0,0,0,0,1|1,0,0]=2 83 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,0,0,0,0,1|2,0,0]=3 84 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [0,0,0,0,0,1|3,0,0]=4 85 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [0,0,0,0,0,1|2,0,1]=4 86 B11R1.91 CC(C)CCC1=CN=CC=N1 CNP0076480.0 [0,0,0,0,0,1|2,0,1]=4 87 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [0,0,0,0,0,1|3,0,0]=4 88 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [0,0,0,0,0,1|1,0,2]=4 89 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [0,0,0,0,0,1|2,0,0]=3 90 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [0,0,0,0,0,1|3,0,0]=4 91 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [0,0,0,0,0,1|3,0,0]=4 92 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [0,0,0,0,0,1|2,0,0]=3 93 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,0,0,0,0,1|2,0,0]=3 94 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [0,0,0,0,0,1|3,0,0]=4 95 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [0,0,0,0,0,1|3,0,0]=4 96 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,0,0,0,0,1|3,0,0]=4 97 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [0,0,0,0,0,1|3,0,0]=4 98 B11R1.172 CC(=CCCC1=COC=C1)C CNP0209969.0 [0,0,0,0,0,1|3,0,0]=4 99 B11R1.172 CC(=CCCC1=CSC=C1)C CNP0148788.0 [0,0,0,0,0,1|3,0,0]=4 100 B11R1.172 CC(=O)CCCC1=CC=CO1 CNP0518396.0 [0,0,0,0,0,1|0,0,0]=1 101 B11R1.172 CC(=O)NCCC1=CN=CN1 CNP0128477.0 [0,0,0,0,0,1|2,0,0]=3 102 B11R1.172 CC(=O)NCCC1=CNC=N1 CNP0497661.0 [0,0,0,0,0,1|2,0,0]=3 103 B11R1.172 CC(C)CN=CC1=CC=CO1 CNP0435049.0 [0,0,0,0,0,1|1,0,2]=4 104 B11R1.172 O=C(O)CCCC1=CC=CS1 CNP0560045.0 [0,0,0,0,0,1|1,1,0]=3 105 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [1,0,1,0,0,0|0,0,2]=4 106 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [1,0,1,0,0,0|0,0,2]=4 107 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,0,1,0,0,0|0,0,2]=4 108 B8R0.9 C=CC(C)CCC(=O)C CNP0480823.0 [1,0,1,0,0,0|0,0,2]=4 109 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [1,0,1,0,0,0|0,0,2]=4 110 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [1,0,1,0,0,0|1,0,1]=4 111 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [2,0,0,0,0,0|0,0,1]=3 112 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [2,0,0,0,0,0|0,0,1]=3 113 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [2,0,0,0,0,0|0,0,0]=2 114 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [2,0,0,0,0,0|0,1,0]=3 115 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [2,0,0,0,0,0|2,0,0]=4 116 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [2,0,0,0,0,0|1,0,0]=3 117 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [2,0,0,0,0,0|1,0,0]=3 118 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [2,0,0,0,0,0|0,0,0]=2 119 B8R1.8 O=CCC1=CN=CN1 CNP0573000.0 [2,0,0,0,0,0|2,0,0]=4 120 B8R1.8 O=CCC1=CNC=N1 CNP0083568.0 [2,0,0,0,0,0|2,0,0]=4 121 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [2,0,0,0,0,0|0,1,1]=4 122 B10R0.4 C=CC=CC=CCCC(=O)C CNP0477041.0 [0,1,1,0,0,0|1,0,0]=3 123 B10R0.55 CC(=O)CCC=CC(O)CO CNP0071799.0 [0,1,1,0,0,0|0,0,2]=4 124 B10R0.74 C=CCC=CCCC(=O)OC CNP0061280.0 [0,1,1,0,0,0|1,0,1]=4 125 B10R0.78 C=CCOC(=O)CCC(=O)C CNP0609110.0 [0,1,1,0,0,0|0,0,1]=3 126 B10R1.11 CCCC(=O)C1=CC=CO1 CNP0102871.0 [1,1,0,0,0,0|0,0,2]=4 127 B10R1.16 CCCCC1=CC(=CO1)C CNP0574167.0 [1,1,0,0,0,0|0,0,1]=3 128 B10R1.21 CCC=CCC1=CC=CO1 CNP0453749.0 [1,1,0,0,0,0|0,0,1]=3 129 B10R1.21 CCCC=CC1=CC=CO1 CNP0062587.0 [1,1,0,0,0,0|0,0,2]=4 130 B10R1.21 CCCCCC1=CC=CO1 CNP0210535.0 [1,1,0,0,0,0|0,0,1]=3 131 B10R1.21 CCCCCC1=CC=CS1 CNP0094840.0 [1,1,0,0,0,0|0,1,1]=4 132 B10R1.21 CCCCCC1=CN=CO1 CNP0197497.0 [1,1,0,0,0,0|1,0,1]=4 133 B10R1.21 CCCCCC1=NC=CO1 CNP0420572.0 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.27 CC(=CC1=CC=CO1)C=O CNP0085269.0 [1,1,0,0,0,0|0,0,2]=4 135 B10R1.27 CCC(=O)CC1=CC=CO1 CNP0611998.0 [1,1,0,0,0,0|0,0,2]=4 136 B10R1.27 N[C@H](C=O)CC1=CN=CN1 CNP0338079.1 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.27 N[C@H](C=O)CC1=CNC=N1 CNP0586262.1 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.23 CC(=O)C(=O)C1=CC=CO1 CNP0137174.0 [0,1,0,0,1,0|0,0,1]=3 139 B10R1.23 CC(=O)C(=O)C1=CC=CS1 CNP0002573.0 [0,1,0,0,1,0|0,1,1]=4 140 B10R1.23 N[C@@H](C(=O)O)C1=CC=CS1 CNP0491951.1 [0,1,0,0,1,0|1,1,0]=4 141 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 CNP0491951.2 [0,1,0,0,1,0|1,1,0]=4 142 B10R1.54 CC(=O)CC1=CC=C(O1)C CNP0609799.0 [0,1,0,0,1,0|0,0,0]=2 143 B10R1.54 CC(=O)N[C@@H]1C=CC(=O)O1 CNP0482331.1 [0,1,0,0,1,0|1,0,1]=4 144 B10R1.54 O=C(Cl)C[C@H]1C=CC(=O)O1 CNP0017575.1 [0,1,0,0,1,0|1,0,1]=4 145 B10R1.54 O=C(O)C=C1C=CC(=O)O1 CNP0438543.0 [0,1,0,0,1,0|1,0,1]=4 146 B10R1.54 O=C(O)CC1=CCC(=O)O1 CNP0288626.0 [0,1,0,0,1,0|1,0,1]=4 147 B10R1.54 O=C(O)CN1C=CC(=O)O1 CNP0301133.0 [0,1,0,0,1,0|2,0,0]=4 148 B10R1.54 O=C(O)C[C@@H]1C=CC(=O)O1 CNP0273929.2 [0,1,0,0,1,0|1,0,1]=4 149 B10R1.54 O=C(O)C[C@H]1C=CC(=O)O1 CNP0273929.1 [0,1,0,0,1,0|1,0,1]=4 150 B10R1.64 CC(=O)CC1=C(C=CO1)C CNP0076562.0 [0,1,0,0,1,0|0,0,0]=2 151 B10R1.281 C[N+](C)(C)CC1=CC=CO1 CNP0606756.0 [0,1,0,0,1,0|2,0,0]=4 152 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [0,1,0,0,0,1|1,0,0]=3 153 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [0,1,0,0,0,1|1,0,0]=3 154 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [0,1,0,0,0,1|2,0,0]=4 155 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [0,1,0,0,0,1|2,0,0]=4 156 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [0,1,0,0,0,1|2,0,0]=4 157 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CNP0590164.0 [0,1,0,0,0,1|2,0,0]=4 158 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O CNP0585639.0 [0,1,0,0,0,1|2,0,0]=4 159 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [0,1,0,0,0,1|2,0,0]=4 160 B12R1.27 CC(C=O)CCC1=CC=CC=C1 CNP0219815.0 [0,1,0,0,0,1|1,0,1]=4 161 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,1,0,0,0,1|1,0,0]=3 162 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [0,1,0,0,0,1|2,0,0]=4 163 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [0,1,0,0,0,1|1,0,0]=3 164 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [0,1,0,0,0,1|2,0,0]=4 165 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [0,1,0,0,0,1|1,0,1]=4 166 B12R1.43 CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0353502.1 [0,1,0,0,0,1|1,0,0]=3 167 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CNP0456241.2 [0,1,0,0,0,1|2,0,0]=4 168 B12R1.43 C[C@H](CC1=CC=CC=C1)C(=O)O CNP0456241.1 [0,1,0,0,0,1|2,0,0]=4 169 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0349122.1 [0,1,0,0,0,1|2,0,0]=4 170 B12R1.43 NC(=O)[C@H](O)CC1=CC=CC=C1 CNP0541348.1 [0,1,0,0,0,1|2,0,0]=4 171 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O CNP0193965.1 [0,1,0,0,0,1|2,0,0]=4 172 B12R1.43 N[C@@H](CC1=CC=CC=N1)C(=O)O CNP0184941.1 [0,1,0,0,0,1|2,0,0]=4 173 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O CNP0351562.2 [0,1,0,0,0,1|2,0,0]=4 174 B12R1.43 N[C@@H](CC1=CCC=CC1)C(=O)O CNP0307488.2 [0,1,0,0,0,1|2,0,0]=4 175 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CNP0193965.2 [0,1,0,0,0,1|2,0,0]=4 176 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O CNP0351562.1 [0,1,0,0,0,1|2,0,0]=4 177 B12R1.43 N[C@H](CC1=CCC=CC1)C(=O)O CNP0307488.1 [0,1,0,0,0,1|2,0,0]=4 178 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CNP0213490.2 [0,1,0,0,0,1|2,0,0]=4 179 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CNP0213490.1 [0,1,0,0,0,1|2,0,0]=4 180 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [0,1,0,0,0,1|1,0,1]=4 181 B12R1.107 CC(=O)C[C@@H](O)C1=CC=CC=N1 CNP0267055.1 [0,1,0,0,0,1|1,0,0]=3 182 B12R1.107 CC(=O)C[C@@H](O)C1=CC=NC=C1 CNP0073632.2 [0,1,0,0,0,1|1,0,0]=3 183 B12R1.107 CC(=O)C[C@H](O)C1=CC=CC=N1 CNP0267055.2 [0,1,0,0,0,1|1,0,0]=3 184 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 CNP0214274.1 [0,1,0,0,0,1|2,0,0]=4 185 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CNP0028406.0 [0,1,0,0,0,1|2,0,0]=4 186 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.1 [0,1,0,0,0,1|2,0,0]=4 187 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.1 [0,1,0,0,0,1|2,0,0]=4 188 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.2 [0,1,0,0,0,1|2,0,0]=4 189 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.2 [0,1,0,0,0,1|2,0,0]=4 190 B12R1.107 O=C(O)C[C@@H](O)C1=CC=CC=C1 CNP0238020.1 [0,1,0,0,0,1|2,0,0]=4 191 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 CNP0238020.2 [0,1,0,0,0,1|2,0,0]=4 192 B12R1.125 CC(=O)CCC1=CC=CC=C1O CNP0273155.0 [0,1,0,0,0,1|1,0,0]=3 193 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0497682.0 [0,1,0,0,0,1|1,0,0]=3 194 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0512452.0 [0,1,0,0,0,1|1,0,0]=3 195 B12R1.125 CC(=O)NCC1=CN=CC=C1C CNP0202151.0 [0,1,0,0,0,1|2,0,0]=4 196 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [0,1,0,0,0,1|2,0,0]=4 197 B12R1.125 NC(=O)CCC1=CC=CC=C1O CNP0509635.0 [0,1,0,0,0,1|2,0,0]=4 198 B12R1.125 O=C(O)CCC1=CC=CC=C1O CNP0103376.0 [0,1,0,0,0,1|2,0,0]=4 199 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [0,1,0,0,0,1|2,0,0]=4 200 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O CNP0166101.0 [0,1,0,0,0,1|2,0,0]=4 201 B12R1.54 CC(=O)CCC(=O)C1=COC=C1 CNP0262889.0 [0,1,0,0,0,1|2,0,0]=4 202 B12R1.54 CC(=O)CC[C@H](O)C1=COC=C1 CNP0324592.1 [0,1,0,0,0,1|2,0,0]=4 203 B12R1.54 O=C(O)CNC(=O)C1=CC=CO1 CNP0131505.0 [0,1,0,0,0,1|1,0,1]=4 204 B12R1.105 CC(=O)NN=CC1=CC=C(O1)N CNP0254628.0 [0,1,0,0,0,1|1,0,1]=4 205 B12R1.130 CC(=O)OCCC1=C(N=CS1)C CNP0396246.0 [0,1,0,0,0,1|1,1,0]=4 206 B12R1.477 CC(=CCCC1=COC=C1)C=O CNP0181007.0 [0,1,0,0,0,1|2,0,0]=4 207 B12R1.15 CCC(=O)CC(=O)C1=CC=CN1 CNP0583528.0 [0,2,0,0,0,0|1,0,1]=4 208 B12R1.51 CC=CC(=O)OCC1=CC=CO1 CNP0506624.0 [0,2,0,0,0,0|1,0,0]=3 209 B12R1.51 CCCC(=O)OCC1=CC=CO1 CNP0002783.0 [0,2,0,0,0,0|1,0,0]=3 210 B12R1.51 CCOC(=O)C=CC1=CC=CO1 CNP0393898.0 [0,2,0,0,0,0|0,0,2]=4 211 B12R1.51 CCOC(=O)CCC1=CC=CO1 CNP0003158.0 [0,2,0,0,0,0|0,0,0]=2 212 B12R1.51 CCOC(=O)CCC1=CNC=N1 CNP0306422.0 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.51 CCOC(=O)SCC1=CC=CO1 CNP0352515.0 [0,2,0,0,0,0|1,0,0]=3 214 B12R1.108 COC(=O)N(C)CC1=CC=CO1 CNP0143530.0 [0,2,0,0,0,0|1,0,0]=3 215 B12R1.108 COC(=O)[C@@H](N)CC1=CN=CN1 CNP0532069.2 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.108 COC(=O)[C@H](N)CC1=CN=CN1 CNP0532069.1 [0,2,0,0,0,0|2,0,0]=4 217 B12R1.108 COC(=O)[C@H](N)CC1=CNC=N1 CNP0119120.1 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.104 N[C@@H](CN1C=CC(=O)O1)C(=O)O CNP0240279.1 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.59 CC(=O)C=CC1=CC=C(O1)CO CNP0211846.0 [0,2,0,0,0,0|0,0,2]=4 220 B12R1.59 CC(=O)OCC1=CC=C(O1)C=O CNP0144118.0 [0,2,0,0,0,0|1,0,0]=3 221 B12R1.59 CC(=O)OCC1=CC=C(O1)CO CNP0421204.0 [0,2,0,0,0,0|1,0,0]=3 222 B12R1.59 [C-]#[N+]C1=CCC(=C1)CCC(=O)O CNP0604497.0 [0,2,0,0,0,0|2,0,0]=4 223 B12R1.861 CC(=O)CCC1OC(=O)C=C1C CNP0267510.0 [0,2,0,0,0,0|0,0,1]=3 224 B12R1.3799 CC(=O)OC[C@]1(C=CC(=O)O1)C CNP0313384.1 [0,2,0,0,0,0|1,0,1]=4 225 B12R1.144 C=C(C)CC(=O)C1=C(C=CO1)C CNP0566600.0 [0,2,0,0,0,0|1,0,1]=4 226 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [0,0,1,1,0,0|1,0,1]=4 227 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [0,0,1,1,0,0|0,0,2]=4 228 B10R1.197 COC1=CCCC(=O)CC1 CNP0219290.0 [0,0,1,1,0,0|0,0,2]=4 229 B10R1.59 CC(=O)N1CC(=CC1=O)O CNP0330308.0 [0,0,1,1,0,0|2,0,0]=4 230 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [0,0,1,1,0,0|0,0,2]=4 231 B10R1.330 C=C1CCC(=C)CC(=C)C1 CNP0562390.0 [0,0,1,1,0,0|2,0,0]=4 232 B10R2.32 O=C1CCC2=C1C=CS2 CNP0047284.0 [1,0,0,1,0,0|0,1,0]=3 233 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [0,0,0,1,0,1|2,0,0]=4 234 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,0,0,1,0,1|1,0,0]=3 235 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,0,0,1,0,1|2,0,0]=4 236 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,0,0,1,0,1|2,0,0]=4 237 B12R2.3190 O=C(O)[C@@H]1CC2=CC=CC=C12 CNP0459478.1 [0,0,0,1,0,1|2,0,0]=4 238 B12R2.3190 O=C(O)[C@H]1CC2=CC=CC=C12 CNP0459478.2 [0,0,0,1,0,1|2,0,0]=4 239 B12R2.6 O=C1C=C(CO1)C2=CC=CO2 CNP0215277.0 [0,0,0,1,0,1|0,0,2]=4 240 B12R2.132 CC1=COC2=C1CC(CC2)C CNP0577473.0 [0,1,0,1,0,0|1,0,1]=4 241 B12R2.2314 O=C1C[C@@]2(CO1)OC=CC2=O CNP0326918.1 [0,1,0,1,0,0|1,0,1]=4 242 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,0,0,0,2,0|2,0,0]=4 243 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [0,0,0,0,2,0|1,0,0]=3 244 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,0,0,0,2,0|0,0,0]=2 245 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [0,0,0,0,2,0|0,1,0]=3 246 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [0,0,0,0,2,0|2,0,0]=4 247 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [0,0,0,0,2,0|1,0,0]=3 248 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [0,0,0,0,2,0|1,1,0]=4 249 B8R1.7 CC(=O)C1CC=CO1 CNP0077183.0 [0,0,0,0,2,0|0,0,2]=4 250 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [0,0,0,0,2,0|2,0,0]=4 251 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [0,0,0,0,2,0|1,0,1]=4 252 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,0,0,0,2,0|0,0,2]=4 253 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [0,0,0,0,2,0|0,1,1]=4 254 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [0,0,0,0,2,0|2,0,0]=4 255 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [0,0,0,0,2,0|1,0,0]=3 256 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [0,0,0,0,2,0|2,0,0]=4 257 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [0,0,0,0,2,0|1,0,0]=3 258 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [1,0,0,0,0,1|1,0,1]=4 259 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [1,0,0,0,0,1|1,0,1]=4 260 B10R1.17 CC=CCC1=CC=CCC1 CNP0130586.0 [1,0,0,0,0,1|1,0,1]=4 261 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [1,0,0,0,0,1|1,0,1]=4 262 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [1,0,0,0,0,1|1,0,1]=4 263 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [1,0,0,0,0,1|1,0,1]=4 264 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [1,0,0,0,0,1|1,0,1]=4 265 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [1,0,0,0,0,1|2,0,0]=4 266 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [1,0,0,0,0,1|2,0,0]=4 267 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [1,0,0,0,0,1|2,0,0]=4 268 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [1,0,0,0,0,1|2,0,0]=4 269 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [1,0,0,0,0,1|1,0,0]=3 270 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [1,0,0,0,0,1|2,0,0]=4 271 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [1,0,0,0,0,1|2,0,0]=4 272 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [0,0,0,0,0,2|2,0,0]=4 273 B12R1.252 CC(=O)NCCC1=CC=CC=C1 CNP0298057.0 [0,0,0,0,0,2|1,0,0]=3 274 B12R1.252 CC(=O)OCCC1=CC=CC=C1 CNP0195113.0 [0,0,0,0,0,2|1,0,0]=3 275 B12R1.252 NC(=O)NCCC1=CC=CC=C1 CNP0509449.0 [0,0,0,0,0,2|2,0,0]=4 276 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CNP0152618.0 [0,0,0,0,0,2|2,0,0]=4 277 B12R1.252 O=C(O)CCCC1=CC=CN=C1 CNP0002375.0 [0,0,0,0,0,2|2,0,0]=4 278 B12R1.252 O=C(O)CCOC1=CC=CC=C1 CNP0002351.0 [0,0,0,0,0,2|2,0,0]=4 279 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CNP0438400.0 [0,0,0,0,0,2|2,0,0]=4 280 B12R1.255 CC(C)CCN=CC1=CC=CO1 CNP0434350.0 [0,0,0,0,0,2|1,0,1]=4