0 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.21 CC(C)CCC1=CC=C(C=C1)O CNP0417670.0 [0,0,0,0,0,0|1,0,1]=2 6 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.21 CN(C)CCC1=CC=C(C=C1)O CNP0321554.0 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.21 C[C@@H](O)CCC1=CC=C(C=C1)O CNP0144737.2 [0,0,0,0,0,0|0,0,2]=2 10 B12R1.21 C[C@H](O)CCC1=CC=C(C=C1)O CNP0144737.1 [0,0,0,0,0,0|0,0,2]=2 11 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)Cl CNP0552238.0 [0,0,0,0,0,0|2,0,2]=4 12 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)O CNP0070658.0 [0,0,0,0,0,0|1,0,2]=3 13 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CNP0590164.0 [0,0,0,0,0,0|1,0,0]=1 14 B12R1.21 NC(=O)N=NC1=CC=C(C=C1)O CNP0318057.0 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.21 NC(=O)OCC1=CC=C(C=C1)O CNP0435961.0 [0,0,0,0,0,0|2,0,0]=2 16 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O CNP0585639.0 [0,0,0,0,0,0|2,0,0]=2 17 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Br CNP0594784.0 [0,0,0,0,0,0|2,0,2]=4 18 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Cl CNP0031776.0 [0,0,0,0,0,0|2,0,2]=4 19 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O CNP0255341.0 [0,0,0,0,0,0|1,0,2]=3 20 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [0,0,0,0,0,0|1,0,0]=1 21 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O CNP0287419.0 [0,0,0,0,0,0|2,0,0]=2 22 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br CNP0468193.0 [0,0,0,0,0,0|3,0,0]=3 23 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl CNP0467480.0 [0,0,0,0,0,0|3,0,0]=3 24 B12R1.21 O=C(O)COC1=CC=C(C=C1)O CNP0053966.0 [0,0,0,0,0,0|2,0,0]=2 25 B12R1.21 O=[N+]([O-])C=CC1=CC=C(C=C1)O CNP0507113.0 [0,0,0,0,0,0|2,0,2]=4 26 B12R1.21 O=[N+]([O-])CCC1=CC=C(C=C1)O CNP0559272.0 [0,0,0,0,0,0|2,0,0]=2 27 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [1,0,0,0,0,0|0,0,1]=2 28 B11R1.1 CC1=CC=C(C=C1)C=CC=O CNP0112831.0 [1,0,0,0,0,0|1,0,2]=4 29 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [1,0,0,0,0,0|0,0,1]=2 30 B11R1.1 CCCCC1=CC=C(C=C1)N CNP0586525.0 [1,0,0,0,0,0|1,0,1]=3 31 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [1,0,0,0,0,0|0,0,1]=2 32 B11R1.1 CCCCC1=CC=C(N=C1)C CNP0596182.0 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.1 CCCCN1C=CC(=N)C=C1 CNP0059426.0 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.1 CCCOC1=CC=C(C=C1)Br CNP0287758.0 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.1 CCCOC1=CC=C(C=C1)N CNP0514752.0 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.1 CCCOC1=CC=C(C=C1)O CNP0079194.0 [1,0,0,0,0,0|1,0,1]=3 37 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [1,0,0,0,0,0|1,0,1]=3 38 B11R1.1 CNCCC1=CC=C(C=C1)O CNP0279481.0 [1,0,0,0,0,0|1,0,0]=2 39 B11R1.1 NCCCC1=CC=C(C=C1)O CNP0268831.0 [1,0,0,0,0,0|1,0,1]=3 40 B11R1.1 O=CC=CC1=CC=C(C=C1)O CNP0344624.0 [1,0,0,0,0,0|0,0,2]=3 41 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [1,0,0,0,0,0|0,0,0]=1 42 B11R1.1 OC1=CC=C(C=C1)CN=C=S CNP0343490.0 [1,0,0,0,0,0|1,1,1]=4 43 B11R1.1 OCCCC1=CC=C(C=C1)O CNP0319332.0 [1,0,0,0,0,0|0,0,2]=3 44 B11R1.1 ON=CCC1=CC=C(C=C1)O CNP0165556.0 [1,0,0,0,0,0|1,0,2]=4 45 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [1,0,0,0,0,0|1,0,1]=3 46 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [1,0,0,0,0,0|0,0,2]=3 47 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [1,0,0,0,0,0|0,0,0]=1 48 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [1,0,0,0,0,0|1,0,0]=2 49 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [1,0,0,0,0,0|1,0,1]=3 51 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [1,0,0,0,0,0|0,0,2]=3 53 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [1,0,0,0,0,0|1,0,2]=4 54 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [1,0,0,0,0,0|1,0,0]=2 55 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.91 NC(=O)NNC1=CC=CC=C1 CNP0514672.0 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.91 NC(=S)NCC1=CC=CC=C1 CNP0114859.0 [1,0,0,0,0,0|2,1,0]=4 59 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [1,0,0,0,0,0|1,0,2]=4 60 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [1,0,0,0,0,0|1,0,0]=2 61 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [1,0,0,0,0,0|1,0,2]=4 62 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [1,0,0,0,0,0|1,0,2]=4 63 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [1,0,0,0,0,0|1,0,0]=2 64 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [1,0,0,0,0,0|2,0,0]=3 65 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [1,0,0,0,0,0|2,0,0]=3 66 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [1,0,0,0,0,0|2,0,0]=3 67 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [1,0,0,0,0,0|2,0,0]=3 68 B11R1.91 OB(O)CCC1=CC=CC=C1 CNP0528561.0 [1,0,0,0,0,0|2,0,1]=4 69 B13R1.3 C=CC1=CC=C(C=C1)COC(=O)C CNP0018344.0 [0,1,0,0,0,0|2,0,0]=3 70 B13R1.3 CC(=O)CCC1=CC=C(C=C1)ON CNP0361857.0 [0,1,0,0,0,0|0,0,0]=1 71 B13R1.3 CC(=O)COC1=CC=C(C=C1)CN CNP0384005.0 [0,1,0,0,0,0|2,0,0]=3 72 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)O CNP0457495.0 [0,1,0,0,0,0|2,0,0]=3 73 B13R1.3 CCC1=CC=C(C=C1)COC(=O)C CNP0564625.0 [0,1,0,0,0,0|2,0,0]=3 74 B13R1.3 COC1=CC=C(C=C1)C#CC(=O)O CNP0598557.0 [0,1,0,0,0,0|1,0,2]=4 75 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)C CNP0085604.0 [0,1,0,0,0,0|0,0,2]=3 76 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)N CNP0497592.0 [0,1,0,0,0,0|1,0,2]=4 77 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)O CNP0250415.0 [0,1,0,0,0,0|1,0,2]=4 78 B13R1.3 COC1=CC=C(C=C1)CCC(=O)C CNP0123166.0 [0,1,0,0,0,0|0,0,0]=1 79 B13R1.3 COC1=CC=C(C=C1)CCC(=O)N CNP0592087.0 [0,1,0,0,0,0|1,0,0]=2 80 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O CNP0156617.0 [0,1,0,0,0,0|1,0,0]=2 81 B13R1.3 COC1=CC=C(C=C1)CCN(C)C CNP0223802.0 [0,1,0,0,0,0|2,0,0]=3 82 B13R1.3 COC1=CC=C(C=C1)CC[C@H](C)O CNP0324316.1 [0,1,0,0,0,0|0,0,2]=3 83 B13R1.3 COC1=CC=C(C=C1)CC[N+](=O)[O-] CNP0491242.0 [0,1,0,0,0,0|2,0,0]=3 84 B13R1.3 COC1=CC=C(C=C1)CNC(=O)C CNP0514444.0 [0,1,0,0,0,0|1,0,0]=2 85 B13R1.3 COC1=CC=C(C=C1)COC(=O)C CNP0232581.0 [0,1,0,0,0,0|1,0,0]=2 86 B13R1.3 COC1=CC=C(C=C1)N=NC(=O)N CNP0184303.0 [0,1,0,0,0,0|3,0,0]=4 87 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O CNP0080091.0 [0,1,0,0,0,0|2,0,0]=3 88 B13R1.3 NC(=O)COC1=CC=C(C=C1)C=O CNP0566426.0 [0,1,0,0,0,0|2,0,1]=4 89 B13R1.14 CCC(=O)NNC1=CC=C(C=C1)Br CNP0033506.0 [0,1,0,0,0,0|3,0,0]=4 90 B13R1.14 CN(C=O)CCC1=CC=C(C=C1)O CNP0198499.0 [0,1,0,0,0,0|1,0,0]=2 91 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)O CNP0073787.0 [0,1,0,0,0,0|0,0,0]=1 92 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)Br CNP0066263.0 [0,1,0,0,0,0|1,0,2]=4 93 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)C CNP0331308.0 [0,1,0,0,0,0|1,0,2]=4 94 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O CNP0173530.0 [0,1,0,0,0,0|0,0,2]=3 95 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O CNP0208741.0 [0,1,0,0,0,0|0,0,0]=1 96 B13R1.14 OC[C@H](O)COC1=CC=C(C=C1)O CNP0221041.1 [0,1,0,0,0,0|1,0,2]=4 97 B13R1.132 CC(=O)C[C@@H](C)C1=CC=C(C=C1)C CNP0287444.2 [0,1,0,0,0,0|1,0,0]=2 98 B13R1.132 CC(=O)C[C@H](C)C1=CC=C(C=C1)C CNP0287444.1 [0,1,0,0,0,0|1,0,0]=2 99 B13R1.132 CC(=O)N[C@@H](C)C1=CC=C(N=C1)C CNP0191708.1 [0,1,0,0,0,0|3,0,0]=4 100 B13R1.132 CC1=CC=C(C=C1)C(N)CC(=O)O CNP0350054.0 [0,1,0,0,0,0|2,0,0]=3 101 B13R1.132 CC1=CC=C(C=C1)[C@@H](C)CC(=O)O CNP0075903.1 [0,1,0,0,0,0|2,0,0]=3 102 B13R1.132 CC1=CC=C(C=C1)[C@H](C)CC(=O)O CNP0075903.2 [0,1,0,0,0,0|2,0,0]=3 103 B13R1.132 C[C@@H](CC(=O)O)C1=CC=C(C=C1)O CNP0365207.2 [0,1,0,0,0,0|1,0,0]=2 104 B13R1.132 C[C@H](CC(=O)O)C1=CC=C(C=C1)O CNP0365207.1 [0,1,0,0,0,0|1,0,0]=2 105 B13R1.132 NC(=O)N=[N+]([O-])C1=CC=C(C=C1)O CNP0518611.0 [0,1,0,0,0,0|3,0,0]=4 106 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)O CNP0013657.0 [0,1,0,0,0,0|1,0,0]=2 107 B13R1.132 O=C(O)CC(=O)C1=CC=C(C=C1)O CNP0180291.0 [0,1,0,0,0,0|1,0,1]=3 108 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)Br CNP0058879.0 [0,1,0,0,0,0|2,0,1]=4 109 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)C CNP0188373.0 [0,1,0,0,0,0|2,0,1]=4 110 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)Cl CNP0065177.0 [0,1,0,0,0,0|2,0,1]=4 111 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)I CNP0050257.0 [0,1,0,0,0,0|2,0,1]=4 112 B13R1.133 CC(=O)C(=S)NC1=CC=C(C=C1)Br CNP0032596.0 [0,1,0,0,0,0|2,0,1]=4 113 B13R1.133 CC(=O)C(=S)NC1=CC=C(C=C1)C CNP0407432.0 [0,1,0,0,0,0|2,0,1]=4 114 B13R1.133 CC(=O)C(=S)NC1=CC=C(C=C1)Cl CNP0046230.0 [0,1,0,0,0,0|2,0,1]=4 115 B13R1.133 CC(=O)C(=S)NC1=CC=C(C=C1)I CNP0058183.0 [0,1,0,0,0,0|2,0,1]=4 116 B13R1.133 CC(=O)C(O)CC1=CC=C(C=C1)O CNP0103595.0 [0,1,0,0,0,0|0,0,0]=1 117 B13R1.133 CC(=O)[C@@H](O)CC1=CC=C(C=C1)O CNP0103595.1 [0,1,0,0,0,0|0,0,0]=1 118 B13R1.133 CC(O)C(O)CC1=CC=C(C=C1)O CNP0367741.0 [0,1,0,0,0,0|0,0,2]=3 119 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O CNP0119097.0 [0,1,0,0,0,0|3,0,0]=4 120 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(=O)O CNP0582979.0 [0,1,0,0,0,0|2,0,1]=4 121 B13R1.133 C[C@@H](OC1=CC=C(C=C1)O)C(=O)O CNP0437991.1 [0,1,0,0,0,0|2,0,0]=3 122 B13R1.133 C[C@H](O)[C@@H](O)CC1=CC=C(C=C1)O CNP0367741.2 [0,1,0,0,0,0|0,0,2]=3 123 B13R1.133 C[C@H](O)[C@H](O)CC1=CC=C(C=C1)O CNP0367741.1 [0,1,0,0,0,0|0,0,2]=3 124 B13R1.133 N=C(CC1=CC=C(C=C1)O)C(=O)O CNP0435695.0 [0,1,0,0,0,0|1,0,1]=3 125 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(C=C1)O CNP0021095.1 [0,1,0,0,0,0|1,0,0]=2 126 B13R1.133 NC(CC1=CNC(=O)C=C1)C(=O)O CNP0485960.0 [0,1,0,0,0,0|2,0,1]=4 127 B13R1.133 NC1=CC=C(C=C1)C[C@@H](N)C(=O)O CNP0187252.1 [0,1,0,0,0,0|2,0,0]=3 128 B13R1.133 NC1=CC=C(C=C1)C[C@H](N)C(=O)O CNP0187252.2 [0,1,0,0,0,0|2,0,0]=3 129 B13R1.133 NN(CC1=CC=C(C=C1)O)C(=O)O CNP0565576.0 [0,1,0,0,0,0|2,0,0]=3 130 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Br)C(=O)O CNP0133258.1 [0,1,0,0,0,0|2,0,0]=3 131 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O CNP0293334.2 [0,1,0,0,0,0|2,0,0]=3 132 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O CNP0601134.1 [0,1,0,0,0,0|2,0,0]=3 133 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O CNP0116237.1 [0,1,0,0,0,0|1,0,0]=2 134 B13R1.133 N[C@@H](CC1=CC=C(C=N1)O)C(=O)O CNP0228825.1 [0,1,0,0,0,0|2,0,0]=3 135 B13R1.133 N[C@@H](CC1=CC=C(N=C1)O)C(=O)O CNP0202206.1 [0,1,0,0,0,0|2,0,0]=3 136 B13R1.133 N[C@H](CC1=CC=C(C=C1)Br)C(=O)O CNP0133258.2 [0,1,0,0,0,0|2,0,0]=3 137 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O CNP0293334.1 [0,1,0,0,0,0|2,0,0]=3 138 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O CNP0601134.2 [0,1,0,0,0,0|2,0,0]=3 139 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O CNP0116237.2 [0,1,0,0,0,0|1,0,0]=2 140 B13R1.133 O=C(O)C(=CC1=CC=C(C=C1)O)O CNP0185306.0 [0,1,0,0,0,0|1,0,2]=4 141 B13R1.133 O=C(O)C(=O)CC1=CC=C(C=C1)O CNP0412003.0 [0,1,0,0,0,0|1,0,1]=3 142 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(C=C1)O CNP0177541.1 [0,1,0,0,0,0|1,0,0]=2 143 B13R1.133 O=C(O)[C@@H](S)CC1=CC=C(C=C1)I CNP0587186.1 [0,1,0,0,0,0|2,0,0]=3 144 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(C=C1)O CNP0177541.2 [0,1,0,0,0,0|1,0,0]=2 145 B13R1.164 C=C(C)C#CC1=CC=C(C=C1O)O CNP0414177.0 [0,1,0,0,0,0|1,0,2]=4 146 B13R1.164 CC(=CCC1=CC=C(C=C1O)O)C CNP0130850.0 [0,1,0,0,0,0|1,0,1]=3 147 B13R1.164 CC(C)CCC1=CC=C(C=C1O)O CNP0138668.0 [0,1,0,0,0,0|1,0,1]=3 148 B13R1.164 CC1=CC(=CC=C1C=CC(=O)O)O CNP0075799.0 [0,1,0,0,0,0|1,0,2]=4 149 B13R1.164 CC1=CC(=CC=C1CCC(=O)O)O CNP0075798.0 [0,1,0,0,0,0|1,0,0]=2 150 B13R1.164 O=C(O)C=CC1=CC=C(C=C1O)O CNP0192872.0 [0,1,0,0,0,0|1,0,2]=4 151 B13R1.164 O=C(O)CCC1=CC=C(C=C1O)O CNP0154079.0 [0,1,0,0,0,0|1,0,0]=2 152 B13R1.164 O=C(O)COC1=CC=C(C=C1Cl)Cl CNP0341289.0 [0,1,0,0,0,0|3,0,0]=4 153 B13R1.511 C=C1C=C(OC=C1O)COC(=O)C CNP0533206.0 [0,1,0,0,0,0|2,0,0]=3 154 B13R1.511 CC(=O)C=CC1=CC=C(C(=C1)O)O CNP0261862.0 [0,1,0,0,0,0|0,0,2]=3 155 B13R1.511 CC(=O)CCC1=CC=C(C(=C1)O)O CNP0175802.0 [0,1,0,0,0,0|0,0,0]=1 156 B13R1.511 CC(=O)OCC1=CC(=O)C(=CO1)O CNP0215641.0 [0,1,0,0,0,0|2,0,0]=3 157 B13R1.511 CC1=CC(=CC=C1O)C=CC(=O)O CNP0164069.0 [0,1,0,0,0,0|1,0,2]=4 158 B13R1.511 CN(C)CCC1=CC=C(C(=C1)O)O CNP0358976.0 [0,1,0,0,0,0|2,0,0]=3 159 B13R1.511 C[C@@H](O)CCC1=CC=C(C(=C1)O)O CNP0157154.1 [0,1,0,0,0,0|0,0,2]=3 160 B13R1.511 C[C@H](O)CCC1=CC=C(C(=C1)O)O CNP0157154.2 [0,1,0,0,0,0|0,0,2]=3 161 B13R1.511 NC(=O)C=CC1=CC=C(C(=C1)O)O CNP0555794.0 [0,1,0,0,0,0|1,0,2]=4 162 B13R1.511 O=C(O)C=CC1=CC=C(C(=C1)O)O CNP0186784.0 [0,1,0,0,0,0|1,0,2]=4 163 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)Cl)O CNP0565501.0 [0,1,0,0,0,0|1,0,0]=2 164 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)O)O CNP0265756.0 [0,1,0,0,0,0|1,0,0]=2 165 B13R1.512 C[N+](C)(C)CCC1=CC=C(C=C1)O CNP0493144.0 [0,1,0,0,0,0|2,0,0]=3 166 B13R1.512 C[N+](C)(C)CCC1=CC=C(C=C1)O CNP0561596.0 [0,1,0,0,0,0|2,0,0]=3 167 B13R1.512 C[N+](C)(C)CCC1=CC=C(C=C1)[O-] CNP0267181.0 [0,1,0,0,0,0|2,0,1]=4 168 B13R1.512 C[N+](C)([O-])CCC1=CC=C(C=C1)O CNP0576942.0 [0,1,0,0,0,0|1,0,1]=3 169 B13R2.155 CC1=CC=C2C=CC(=CC2=C1)O CNP0109582.0 [0,0,0,1,0,0|1,0,2]=4 170 B13R2.155 CC1=CC=C2CCC(CC2=C1)C CNP0609610.0 [0,0,0,1,0,0|2,0,1]=4 171 B13R2.155 CN1CCC2=CC=C(C=C2C1)O CNP0477568.0 [0,0,0,1,0,0|2,0,0]=3 172 B13R2.155 O=C1C=CC2=CC=C(C=C2O1)O CNP0291283.0 [0,0,0,1,0,0|1,0,2]=4 173 B13R2.155 O=C1CCC2=CC=C(C=C2O1)O CNP0221407.0 [0,0,0,1,0,0|1,0,0]=2 174 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [0,0,0,0,1,0|1,0,0]=2 175 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [0,0,0,0,1,0|1,0,0]=2 176 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [0,0,0,0,1,0|0,0,0]=1 177 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [0,0,0,0,1,0|1,0,1]=3 178 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [0,0,0,0,1,0|2,0,0]=3 179 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [0,0,0,0,1,0|2,0,0]=3 180 B11R1.20 CC(=O)NC1=CC=C(C=N1)Cl CNP0056612.0 [0,0,0,0,1,0|3,0,0]=4 181 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [0,0,0,0,1,0|2,0,0]=3 182 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [0,0,0,0,1,0|2,0,0]=3 183 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [0,0,0,0,1,0|1,0,0]=2 184 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [0,0,0,0,1,0|1,0,1]=3 185 B11R1.20 CC(N)CC1=CC=C(C=C1)I CNP0499686.0 [0,0,0,0,1,0|2,0,1]=4 186 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [0,0,0,0,1,0|2,0,1]=4 187 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [0,0,0,0,1,0|2,0,1]=4 188 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [0,0,0,0,1,0|1,0,1]=3 189 B11R1.20 NC(=O)CC1=CC=C(C=C1)O CNP0490937.0 [0,0,0,0,1,0|1,0,0]=2 190 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl CNP0310141.0 [0,0,0,0,1,0|3,0,0]=4 191 B11R1.20 NC(=O)NC1=CC=C(C=C1)O CNP0160153.0 [0,0,0,0,1,0|2,0,0]=3 192 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [0,0,0,0,1,0|2,0,0]=3 193 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [0,0,0,0,1,0|2,0,0]=3 194 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [0,0,0,0,1,0|1,0,0]=2 195 B11R1.20 O=C(O)NC1=CC=C(C=C1)Cl CNP0172129.0 [0,0,0,0,1,0|3,0,0]=4 196 B11R1.20 O=C([O-])CC1=CC=C(C=C1)O CNP0582582.0 [0,0,0,0,1,0|1,0,0]=2 197 B11R1.20 O=C1C=CC(C=C1)CC(=O)O CNP0605531.0 [0,0,0,0,1,0|1,0,2]=4 198 B13R1.513 CC(=CCOC1=CC=C(C=C1)O)C CNP0265943.0 [0,0,0,0,0,1|1,0,1]=3 199 B13R1.513 CC(=O)C=CNC1=CC=C(C=C1)Br CNP0465673.0 [0,0,0,0,0,1|1,0,2]=4 200 B13R1.513 CC(=O)CC=CC1=CC=C(C=C1)O CNP0480900.0 [0,0,0,0,0,1|0,0,1]=2 201 B13R1.513 CC(=O)CCOC1=CC=C(C=C1)O CNP0081116.0 [0,0,0,0,0,1|0,0,0]=1 202 B13R1.513 CC(=O)NCCC1=CC=C(C=C1)O CNP0309556.0 [0,0,0,0,0,1|0,0,0]=1 203 B13R1.513 CC(=O)OCCC1=CC=C(C=C1)O CNP0363419.0 [0,0,0,0,0,1|0,0,0]=1 204 B13R1.513 CC1=CC=C(C=C1)OCCP(=O)O CNP0506132.0 [0,0,0,0,0,1|3,0,0]=4 205 B13R1.513 C[C@H](O)CCCC1=CC=C(C=C1)O CNP0310570.1 [0,0,0,0,0,1|0,0,2]=3 206 B10R0.4 C=CC=CC=CCCC(=O)C CNP0477041.0 [1,0,1,0,0,0|0,0,0]=2 207 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [2,0,0,0,0,0|1,0,1]=4 208 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [2,0,0,0,0,0|0,0,1]=3 209 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [2,0,0,0,0,0|1,0,0]=3 210 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [2,0,0,0,0,0|1,0,1]=4 211 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [2,0,0,0,0,0|0,0,1]=3 212 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [2,0,0,0,0,0|0,0,0]=2 213 B10R1.1 CCCN1C=CC(=N)C=C1 CNP0126576.0 [2,0,0,0,0,0|2,0,0]=4 214 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [2,0,0,0,0,0|2,0,0]=4 215 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [2,0,0,0,0,0|2,0,0]=4 217 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [2,0,0,0,0,0|1,0,0]=3 218 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [2,0,0,0,0,0|1,0,0]=3 219 B10R1.1 N#CCC1=CC=C(C=C1)O CNP0232327.0 [2,0,0,0,0,0|1,0,1]=4 220 B10R1.1 NC=CC1=CC=C(C=C1)O CNP0527921.0 [2,0,0,0,0,0|1,0,1]=4 221 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [2,0,0,0,0,0|1,0,0]=3 222 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [2,0,0,0,0,0|0,0,0]=2 223 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [2,0,0,0,0,0|0,0,1]=3 224 B10R1.1 [2H]/C=C\C1=CC=C(C=C1)O CNP0496441.0 [2,0,0,0,0,0|1,0,1]=4 225 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [2,0,0,0,0,0|0,0,1]=3 226 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [2,0,0,0,0,0|1,0,1]=4 227 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [2,0,0,0,0,0|1,0,1]=4 228 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [2,0,0,0,0,0|0,0,1]=3 229 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [2,0,0,0,0,0|0,0,1]=3 230 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [2,0,0,0,0,0|1,0,1]=4 231 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [2,0,0,0,0,0|1,0,1]=4 232 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [2,0,0,0,0,0|1,0,1]=4 233 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [2,0,0,0,0,0|1,0,1]=4 234 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [2,0,0,0,0,0|1,0,1]=4 235 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [2,0,0,0,0,0|1,0,0]=3 236 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [2,0,0,0,0,0|2,0,0]=4 237 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [2,0,0,0,0,0|1,0,0]=3 238 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [2,0,0,0,0,0|2,0,0]=4 239 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [2,0,0,0,0,0|2,0,0]=4 240 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [2,0,0,0,0,0|1,0,0]=3 241 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [2,0,0,0,0,0|2,0,0]=4 242 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [2,0,0,0,0,0|1,0,1]=4 243 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [2,0,0,0,0,0|1,0,1]=4 244 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [2,0,0,0,0,0|2,0,0]=4 245 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [2,0,0,0,0,0|1,0,1]=4 246 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [2,0,0,0,0,0|0,0,2]=4 247 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [2,0,0,0,0,0|0,0,0]=2 248 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [2,0,0,0,0,0|1,0,0]=3 249 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [2,0,0,0,0,0|2,0,0]=4 250 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [2,0,0,0,0,0|1,0,0]=3 251 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [2,0,0,0,0,0|0,0,2]=4 252 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [2,0,0,0,0,0|1,1,0]=4 253 B12R1.1 CC=CCOC1=CC=C(C=C1)O CNP0425430.0 [1,1,0,0,0,0|0,0,1]=3 254 B12R1.1 CCCCCC1=CC=C(C=C1)O CNP0317854.0 [1,1,0,0,0,0|0,0,1]=3 255 B12R1.1 CCCCOC1=CC=C(C=C1)Br CNP0109333.0 [1,1,0,0,0,0|1,0,1]=4 256 B12R1.1 CCCCOC1=CC=C(C=C1)N CNP0043525.0 [1,1,0,0,0,0|1,0,1]=4 257 B12R1.1 CCCCOC1=CC=C(C=C1)O CNP0129863.0 [1,1,0,0,0,0|0,0,1]=3 258 B12R1.1 CCCCSC1=CC=C(C=C1)C CNP0334221.0 [1,1,0,0,0,0|1,0,1]=4 259 B12R1.1 CNCCCC1=CC=C(C=C1)O CNP0135430.0 [1,1,0,0,0,0|0,0,1]=3 260 B12R1.1 COCC=CC1=CC=C(C=C1)O CNP0284684.0 [1,1,0,0,0,0|1,0,1]=4 261 B12R1.1 COCCCC1=CC=C(C=C1)O CNP0164469.0 [1,1,0,0,0,0|0,0,1]=3 262 B12R1.1 CONCCC1=CC=C(C=C1)O CNP0578444.0 [1,1,0,0,0,0|1,0,0]=3 263 B12R1.1 O=CNC=CC1=CC=C(C=C1)O CNP0570685.0 [1,1,0,0,0,0|0,0,2]=4 264 B12R1.1 O=CNCCC1=CC=C(C=C1)O CNP0057661.0 [1,1,0,0,0,0|0,0,0]=2 265 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O CNP0055892.0 [1,1,0,0,0,0|0,0,2]=4 266 B12R1.16 CNC[C@@H](O)C1=CC=C(C=C1)O CNP0214406.2 [1,1,0,0,0,0|1,0,0]=3 267 B12R1.16 CNC[C@H](O)C1=CC=C(C=C1)O CNP0214406.1 [1,1,0,0,0,0|1,0,0]=3 268 B12R1.16 COCC(=O)C1=CC=C(C=C1)O CNP0289032.0 [1,1,0,0,0,0|1,0,1]=4 269 B12R1.16 COC[C@H](O)C1=CC=C(C=C1)O CNP0538036.1 [1,1,0,0,0,0|1,0,0]=3 270 B12R1.16 O=CNC(=O)C1=CC=C(C=C1)O CNP0113478.0 [1,1,0,0,0,0|1,0,1]=4 271 B12R1.16 OCCC(O)C1=CC=C(C=C1)O CNP0181987.0 [1,1,0,0,0,0|0,0,2]=4 272 B12R1.49 CC1=CC=C(C=C1)CC(C)C=O CNP0288270.0 [1,1,0,0,0,0|1,0,0]=3 273 B12R1.49 CCC(=O)CC1=CC=C(C=C1)O CNP0549133.0 [1,1,0,0,0,0|0,0,2]=4 274 B12R1.49 COC(=O)CC1=CC=C(C=C1)O CNP0332506.0 [1,1,0,0,0,0|1,0,1]=4 275 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O CNP0129954.1 [1,1,0,0,0,0|0,0,2]=4 276 B12R1.49 N[C@H](C=O)CC1=CC=C(C=C1)O CNP0232449.1 [1,1,0,0,0,0|0,0,0]=2 277 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O CNP0129954.2 [1,1,0,0,0,0|0,0,2]=4 278 B12R1.49 OC[C@H](O)CC1=CC=C(C=C1)O CNP0307223.1 [1,1,0,0,0,0|0,0,2]=4 279 B12R1.71 CNCCC1=CC=C(C=C1)OC CNP0219456.0 [1,1,0,0,0,0|1,0,0]=3 280 B12R1.71 COC1=CC=C(C=C1)C=CC=O CNP0225036.0 [1,1,0,0,0,0|0,0,2]=4 281 B12R1.71 COC1=CC=C(C=C1)CCC#N CNP0264355.0 [1,1,0,0,0,0|1,0,1]=4 282 B12R1.71 COC1=CC=C(C=C1)COC=O CNP0338310.0 [1,1,0,0,0,0|1,0,0]=3 283 B12R1.385 CCOCC1=CC=C(C(=C1)O)O CNP0111800.0 [1,1,0,0,0,0|1,0,1]=4 284 B12R1.385 CNCCC1=CC=C(C(=C1)Br)O CNP0131805.0 [1,1,0,0,0,0|1,0,0]=3 285 B12R1.385 CNCCC1=CC=C(C(=C1)O)O CNP0309288.0 [1,1,0,0,0,0|1,0,0]=3 286 B12R1.385 O=CC=CC1=CC=C(C(=C1)O)O CNP0169964.0 [1,1,0,0,0,0|0,0,2]=4 287 B12R1.385 OCCCC1=CC=C(C(=C1)O)O CNP0326950.0 [1,1,0,0,0,0|0,0,2]=4 288 B12R1.27 CC(C=O)CCC1=CC=CC=C1 CNP0219815.0 [1,1,0,0,0,0|0,0,1]=3 289 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [1,1,0,0,0,0|0,0,0]=2 290 B12R1.27 CCC(=O)NNC1=CC=CC=C1 CNP0034463.0 [1,1,0,0,0,0|2,0,0]=4 291 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [1,1,0,0,0,0|1,0,0]=3 292 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [1,1,0,0,0,0|1,0,1]=4 293 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [1,1,0,0,0,0|0,0,2]=4 294 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [1,1,0,0,0,0|0,0,2]=4 295 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [1,1,0,0,0,0|0,0,2]=4 296 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [1,1,0,0,0,0|0,0,0]=2 297 B12R1.27 COC(=S)NCC1=CC=CC=C1 CNP0103481.0 [1,1,0,0,0,0|1,1,0]=4 298 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [1,1,0,0,0,0|1,0,0]=3 299 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CNP0146630.0 [1,1,0,0,0,0|2,0,0]=4 300 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 CNP0069758.0 [1,1,0,0,0,0|2,0,0]=4 301 B12R1.43 CC(=O)C(=CC1=CC=CC=C1)C CNP0379625.0 [1,1,0,0,0,0|0,0,2]=4 302 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [1,1,0,0,0,0|0,0,1]=3 303 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 CNP0033092.0 [1,1,0,0,0,0|1,0,1]=4 304 B12R1.43 CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0353502.1 [1,1,0,0,0,0|0,0,0]=2 305 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CNP0456241.2 [1,1,0,0,0,0|1,0,0]=3 306 B12R1.43 C[C@@H](O)[C@H](O)CC1=CC=CC=C1 CNP0193877.1 [1,1,0,0,0,0|0,0,2]=4 307 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O CNP0058094.2 [1,1,0,0,0,0|2,0,0]=4 308 B12R1.43 C[C@H](CC1=CC=CC=C1)C(=O)O CNP0456241.1 [1,1,0,0,0,0|1,0,0]=3 309 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O CNP0587408.1 [1,1,0,0,0,0|2,0,0]=4 310 B12R1.43 C[C@H](O)[C@@H](N)CC1=CC=CC=C1 CNP0596460.1 [1,1,0,0,0,0|0,0,2]=4 311 B12R1.43 C[C@H](O)[C@@H](O)CC1=CC=CC=C1 CNP0193877.2 [1,1,0,0,0,0|0,0,2]=4 312 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O CNP0058094.1 [1,1,0,0,0,0|2,0,0]=4 313 B12R1.43 NC(=O)C(=O)CC1=CC=CC=C1 CNP0113488.0 [1,1,0,0,0,0|1,0,1]=4 314 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0349122.1 [1,1,0,0,0,0|1,0,0]=3 315 B12R1.43 NC(=O)[C@H](O)CC1=CC=CC=C1 CNP0541348.1 [1,1,0,0,0,0|1,0,0]=3 316 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O CNP0193965.1 [1,1,0,0,0,0|1,0,0]=3 317 B12R1.43 N[C@@H](CC1=CC=CC=N1)C(=O)O CNP0184941.1 [1,1,0,0,0,0|2,0,0]=4 318 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O CNP0351562.2 [1,1,0,0,0,0|2,0,0]=4 319 B12R1.43 N[C@@H](OC1=CC=CC=C1)C(=O)O CNP0333196.1 [1,1,0,0,0,0|2,0,0]=4 320 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CNP0193965.2 [1,1,0,0,0,0|1,0,0]=3 321 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O CNP0351562.1 [1,1,0,0,0,0|2,0,0]=4 322 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CNP0177093.0 [1,1,0,0,0,0|1,0,1]=4 323 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CNP0213490.2 [1,1,0,0,0,0|1,0,0]=3 324 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CNP0213490.1 [1,1,0,0,0,0|1,0,0]=3 325 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [1,1,0,0,0,0|0,0,1]=3 326 B12R1.107 CC(=O)C[C@@H](O)C1=CC=CC=N1 CNP0267055.1 [1,1,0,0,0,0|1,0,0]=3 327 B12R1.107 CC(=O)C[C@@H](O)C1=CC=NC=C1 CNP0073632.2 [1,1,0,0,0,0|1,0,0]=3 328 B12R1.107 CC(=O)C[C@H](O)C1=CC=CC=N1 CNP0267055.2 [1,1,0,0,0,0|1,0,0]=3 329 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 CNP0062873.0 [1,1,0,0,0,0|2,0,0]=4 330 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 CNP0214274.1 [1,1,0,0,0,0|1,0,0]=3 331 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CNP0028406.0 [1,1,0,0,0,0|1,0,0]=3 332 B12R1.107 CN(C)C[C@@H](O)C1=CC=CC=C1 CNP0123139.1 [1,1,0,0,0,0|2,0,0]=4 333 B12R1.107 CN(C)C[C@H](O)C1=CC=CC=C1 CNP0123139.2 [1,1,0,0,0,0|2,0,0]=4 334 B12R1.107 NC(=S)C[C@H](O)C1=CC=CC=C1 CNP0125229.1 [1,1,0,0,0,0|1,1,0]=4 335 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.1 [1,1,0,0,0,0|1,0,0]=3 336 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.1 [1,1,0,0,0,0|2,0,0]=4 337 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.2 [1,1,0,0,0,0|1,0,0]=3 338 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.2 [1,1,0,0,0,0|2,0,0]=4 339 B12R1.107 O=C(O)C[C@@H](O)C1=CC=CC=C1 CNP0238020.1 [1,1,0,0,0,0|1,0,0]=3 340 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 CNP0238020.2 [1,1,0,0,0,0|1,0,0]=3 341 B12R1.125 CC(=O)C=CC1=CC=CC=C1O CNP0537172.0 [1,1,0,0,0,0|0,0,2]=4 342 B12R1.125 CC(=O)CCC1=CC=CC=C1O CNP0273155.0 [1,1,0,0,0,0|0,0,0]=2 343 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0497682.0 [1,1,0,0,0,0|1,0,0]=3 344 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0512452.0 [1,1,0,0,0,0|1,0,0]=3 345 B12R1.125 CC(=O)NCC1=CN=CC=C1C CNP0202151.0 [1,1,0,0,0,0|2,0,0]=4 346 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [1,1,0,0,0,0|1,0,0]=3 347 B12R1.125 CC(C)CCC1=CC=CC=C1O CNP0504507.0 [1,1,0,0,0,0|1,0,1]=4 348 B12R1.125 NC(=O)CCC1=CC=CC=C1O CNP0509635.0 [1,1,0,0,0,0|1,0,0]=3 349 B12R1.125 O=C(O)CCC1=CC=CC=C1O CNP0103376.0 [1,1,0,0,0,0|1,0,0]=3 350 B12R1.125 O=C(O)COC1=CC=CC=C1Cl CNP0460590.0 [1,1,0,0,0,0|2,0,0]=4 351 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [1,1,0,0,0,0|1,0,0]=3 352 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O CNP0166101.0 [1,1,0,0,0,0|1,0,0]=3 353 B12R1.226 O=C(O)CNC1=CC=CC(=C1)O CNP0322304.0 [1,1,0,0,0,0|2,0,0]=4 354 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 CNP0003336.0 [1,1,0,0,0,0|0,0,2]=4 355 B12R1.891 CS(=O)(=O)NCC1=CC=CC=C1 CNP0042715.0 [1,1,0,0,0,0|2,0,0]=4 356 B12R1.891 C[N+](C)(C)CCC1=CC=CC=C1 CNP0055514.0 [1,1,0,0,0,0|2,0,0]=4 357 B12R1.4 C=CC1=CC=C(C=C1)NC(=O)C CNP0097579.0 [0,1,0,0,1,0|2,0,0]=4 358 B12R1.4 C=CC1=CC=C(C=C1)OC(=O)C CNP0306868.0 [0,1,0,0,1,0|2,0,0]=4 359 B12R1.4 CC(=O)NC1=CC=C(C=C1)C#N CNP0139066.0 [0,1,0,0,1,0|2,0,0]=4 360 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O CNP0136176.0 [0,1,0,0,1,0|1,0,1]=4 361 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO CNP0307687.0 [0,1,0,0,1,0|1,0,0]=3 362 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O CNP0169665.0 [0,1,0,0,1,0|1,0,1]=4 363 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C CNP0244471.0 [0,1,0,0,1,0|2,0,0]=4 364 B12R1.4 COC1=CC=C(C=C1)C=C(C)C CNP0103064.0 [0,1,0,0,1,0|1,0,1]=4 365 B12R1.4 COC1=CC=C(C=C1)CC(=O)C CNP0229458.0 [0,1,0,0,1,0|0,0,0]=2 366 B12R1.4 COC1=CC=C(C=C1)CC(=O)N CNP0553405.0 [0,1,0,0,1,0|1,0,0]=3 367 B12R1.4 COC1=CC=C(C=C1)CC(=O)O CNP0125359.0 [0,1,0,0,1,0|1,0,0]=3 368 B12R1.4 COC1=CC=C(C=C1)CN(C)C CNP0165442.0 [0,1,0,0,1,0|2,0,0]=4 369 B12R1.4 COC1=CC=C(C=C1)C[C@@H](C)N CNP0382405.1 [0,1,0,0,1,0|1,0,1]=4 370 B12R1.4 COC1=CC=C(C=C1)NC(=O)C CNP0211997.0 [0,1,0,0,1,0|1,0,0]=3 371 B12R1.4 COC1=CC=C(C=N1)NC(=O)C CNP0029688.0 [0,1,0,0,1,0|2,0,0]=4 372 B12R1.19 CC(=O)CC1=CC=C(C(=C1)O)O CNP0097636.0 [0,1,0,0,1,0|0,0,0]=2 373 B12R1.19 CC(=O)NC1=CC=C(C(=C1)Cl)C CNP0024410.0 [0,1,0,0,1,0|2,0,0]=4 374 B12R1.19 CC(=O)NC1=CC=C(C(=C1)Cl)Cl CNP0068960.0 [0,1,0,0,1,0|2,0,0]=4 375 B12R1.19 CC(=O)OC1=CC=C(C(=C1)C)O CNP0297817.0 [0,1,0,0,1,0|1,0,0]=3 376 B12R1.19 CC(=O)OC1=CC=C(C(=C1)Cl)Cl CNP0018261.0 [0,1,0,0,1,0|2,0,0]=4 377 B12R1.19 CC(=O)OC1=CC=C(C(=C1)O)O CNP0238472.0 [0,1,0,0,1,0|1,0,0]=3 378 B12R1.19 CC1=CC(=CC=C1O)CC(=O)O CNP0116223.0 [0,1,0,0,1,0|1,0,0]=3 379 B12R1.19 CC1=CC=C(C=C1C)CC(=O)O CNP0579791.0 [0,1,0,0,1,0|2,0,0]=4 380 B12R1.19 C[C@H](N)CC1=CC=C(C(=C1)O)O CNP0397624.1 [0,1,0,0,1,0|1,0,1]=4 381 B12R1.19 NC(=O)CC1=CC=C(C(=C1)Cl)O CNP0313048.0 [0,1,0,0,1,0|1,0,0]=3 382 B12R1.19 NC(=O)CC1=CC=C(C(=C1)O)O CNP0087042.0 [0,1,0,0,1,0|1,0,0]=3 383 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CNP0127310.0 [0,1,0,0,1,0|1,0,0]=3 384 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Cl)O CNP0326831.0 [0,1,0,0,1,0|1,0,0]=3 385 B12R1.19 O=C(O)CC1=CC=C(C(=C1)O)O CNP0276169.0 [0,1,0,0,1,0|1,0,0]=3 386 B12R1.20 CC(=O)[C@H](O)C1=CC=C(C=C1)O CNP0285683.1 [0,1,0,0,1,0|0,0,0]=2 387 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)N CNP0571554.0 [0,1,0,0,1,0|2,0,0]=4 388 B12R1.20 CC1=CC=C(C=C1)[C@@H](C)C(=O)O CNP0452903.1 [0,1,0,0,1,0|2,0,0]=4 389 B12R1.20 CC1=CC=C(C=C1)[C@H](C)C(=O)O CNP0452903.2 [0,1,0,0,1,0|2,0,0]=4 390 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(C=C1)O CNP0251220.1 [0,1,0,0,1,0|1,0,0]=3 391 B12R1.20 C[C@@H](N)[C@@H](O)C1=CC=C(C=C1)O CNP0075690.4 [0,1,0,0,1,0|1,0,1]=4 392 B12R1.20 C[C@@H](N)[C@H](O)C1=CC=C(C=C1)O CNP0075690.2 [0,1,0,0,1,0|1,0,1]=4 393 B12R1.20 C[C@@H](O)[C@@H](O)C1=CC=C(C=C1)O CNP0258904.1 [0,1,0,0,1,0|0,0,2]=4 394 B12R1.20 C[C@@H](O)[C@H](O)C1=CC=C(C=C1)O CNP0258904.4 [0,1,0,0,1,0|0,0,2]=4 395 B12R1.20 C[C@H](C(=O)O)C1=CC=C(C=C1)O CNP0251220.2 [0,1,0,0,1,0|1,0,0]=3 396 B12R1.20 C[C@H](N)[C@@H](O)C1=CC=C(C=C1)O CNP0075690.1 [0,1,0,0,1,0|1,0,1]=4 397 B12R1.20 C[C@H](N)[C@H](O)C1=CC=C(C=C1)O CNP0075690.3 [0,1,0,0,1,0|1,0,1]=4 398 B12R1.20 C[C@H](O)[C@@H](O)C1=CC=C(C=C1)O CNP0258904.2 [0,1,0,0,1,0|0,0,2]=4 399 B12R1.20 C[C@H](O)[C@H](O)C1=CC=C(C=C1)O CNP0258904.3 [0,1,0,0,1,0|0,0,2]=4 400 B12R1.20 NC(=O)[C@H](N)C1=CC=C(C=C1)O CNP0154614.1 [0,1,0,0,1,0|1,0,0]=3 401 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(C=C1)O CNP0106681.1 [0,1,0,0,1,0|1,0,0]=3 402 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)O CNP0106681.2 [0,1,0,0,1,0|1,0,0]=3 403 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)O CNP0148868.0 [0,1,0,0,1,0|1,0,1]=4 404 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(C=C1)O CNP0103860.2 [0,1,0,0,1,0|1,0,0]=3 405 B12R1.20 O=C(O)[C@H](O)C1=CC=C(C=C1)O CNP0103860.1 [0,1,0,0,1,0|1,0,0]=3 406 B12R1.106 CS(=O)(=O)CC1=CC=C(C=C1)O CNP0432866.0 [0,1,0,0,1,0|1,0,0]=3 407 B12R1.106 C[N+](C)(C)CC1=CC=C(C=C1)O CNP0553852.0 [0,1,0,0,1,0|2,0,0]=4 408 B12R1.233 CC(=O)C[N+]1=CC=C(C=C1N)C CNP0582914.0 [0,1,0,0,1,0|2,0,0]=4 409 B12R1.233 CC(=O)NC1=CC=C(C=C1C)C CNP0024058.0 [0,1,0,0,1,0|2,0,0]=4 410 B12R1.233 CC(=O)NC1=CC=C(C=C1C)Cl CNP0052006.0 [0,1,0,0,1,0|2,0,0]=4 411 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)Br CNP0055151.0 [0,1,0,0,1,0|2,0,0]=4 412 B12R1.233 CC(=O)NC1=CC=C(C=C1O)C CNP0038952.0 [0,1,0,0,1,0|2,0,0]=4 413 B12R1.233 CC(=O)NC1=CC=C(C=C1O)Cl CNP0039766.0 [0,1,0,0,1,0|2,0,0]=4 414 B12R1.233 CC(=O)OC1=CC=C(C=C1Br)Br CNP0200680.0 [0,1,0,0,1,0|2,0,0]=4 415 B12R1.233 CC(=O)OC1=CC=C(C=C1C)O CNP0077014.0 [0,1,0,0,1,0|1,0,0]=3 416 B12R1.233 O=C(O)CC1=CC=C(C=C1O)O CNP0153620.0 [0,1,0,0,1,0|1,0,0]=3 417 B12R1.349 CC(=O)CC1(C=CC(=O)C=C1)O CNP0198879.0 [0,1,0,0,1,0|0,0,2]=4 418 B12R1.59 CC(=O)OCC1=CC=C(O1)CO CNP0421204.0 [0,1,0,0,1,0|2,0,0]=4 419 B14R1.4 COC1=CC=C(C=C1)CCCC(=O)O CNP0292767.0 [0,1,0,0,0,1|1,0,0]=3 420 B14R1.4 COC1=CC=C(C=C1)CCNC(=O)C CNP0041220.0 [0,1,0,0,0,1|0,0,0]=2 421 B14R1.4 COC1=CC=C(C=C1)CCOC(=O)C CNP0162222.0 [0,1,0,0,0,1|0,0,0]=2 422 B14R1.4 COC1=CC=C(C=C1)CNCC(=O)O CNP0397830.0 [0,1,0,0,0,1|1,0,0]=3 423 B14R1.13 CCC(=O)OCCC1=CC=C(C=C1)O CNP0268748.0 [0,1,0,0,0,1|0,0,0]=2 424 B14R1.678 CC(=O)NCC(=O)C1=CC=C(C=C1)O CNP0408370.0 [0,1,0,0,0,1|0,0,1]=3 425 B14R1.678 CC(=O)OCC(=O)C1=CC=C(C=C1)O CNP0233235.0 [0,1,0,0,0,1|0,0,1]=3 426 B14R1.678 CC1=CC=C(C=C1)C(=O)CCC(=O)O CNP0459846.0 [0,1,0,0,0,1|2,0,0]=4 427 B14R1.678 CC1=CC=C(C=C1)[C@@H](C)CCC(=O)O CNP0138560.2 [0,1,0,0,0,1|2,0,0]=4 428 B14R1.678 CC1=CC=C(C=C1)[C@H](C)CCC(=O)O CNP0138560.1 [0,1,0,0,0,1|2,0,0]=4 429 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)Cl CNP0437403.0 [0,1,0,0,0,1|2,0,0]=4 430 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)O CNP0422796.0 [0,1,0,0,0,1|1,0,1]=4 431 B14R1.679 O=C(O)C(O)COC1=CC=C(C=C1)Cl CNP0076718.0 [0,1,0,0,0,1|2,0,0]=4 432 B14R1.679 O=C(O)[C@@H](O)CCC1=CC=C(C=C1)O CNP0157305.2 [0,1,0,0,0,1|1,0,0]=3 433 B14R1.679 O=C(O)[C@H](O)CCC1=CC=C(C=C1)O CNP0157305.1 [0,1,0,0,0,1|1,0,0]=3 434 B14R1.687 CC(=O)NCCC1=CC=C(C(=C1)Br)O CNP0428169.0 [0,1,0,0,0,1|0,0,0]=2 435 B14R1.687 CC(=O)NCCC1=CC=C(C(=C1)O)O CNP0164999.0 [0,1,0,0,0,1|0,0,0]=2 436 B14R1.687 CC(=O)OCCC1=CC=C(C(=C1)O)O CNP0307573.0 [0,1,0,0,0,1|0,0,0]=2 437 B14R1.687 N=C(N)NCCC1=CC=C(C(=C1)O)O CNP0239159.0 [0,1,0,0,0,1|2,0,0]=4 438 B14R1.687 O=C(O)OCCC1=CC=C(C(=C1)O)O CNP0378082.0 [0,1,0,0,0,1|1,0,0]=3 439 B14R1.690 CC(=O)OCCC1(C=CC(=O)C=C1)O CNP0216848.0 [0,1,0,0,0,1|0,0,2]=4 440 B14R1.698 CC(=O)CC(=O)NC1=CC=C(C=C1)Cl CNP0208625.0 [0,1,0,0,0,1|1,0,1]=4 441 B14R1.698 NC(CC(=O)O)CC1=CC=C(C=C1)O CNP0415764.0 [0,1,0,0,0,1|1,0,0]=3 442 B14R1.698 O=C(O)CC(=O)OC1=CC=C(C=C1)O CNP0084206.0 [0,1,0,0,0,1|1,0,1]=4 443 B14R1.2 COC1=CC=C(C=C1)C(=CC(=O)C)C CNP0140151.0 [0,2,0,0,0,0|0,0,2]=4 444 B14R1.2 COC1=CC=C(C=C1)C(=O)CC(=O)C CNP0186353.0 [0,2,0,0,0,0|0,0,1]=3 445 B14R1.2 COC1=CC=C(C=C1)C(=O)CC(=O)O CNP0335874.0 [0,2,0,0,0,0|1,0,1]=4 446 B14R1.2 COC1=CC=C(C=C1)[C@@H](N)CC(=O)O CNP0244772.1 [0,2,0,0,0,0|1,0,0]=3 447 B14R1.2 COC1=CC=C(C=C1)[C@H](C)OC(=O)C CNP0153603.1 [0,2,0,0,0,0|1,0,0]=3 448 B14R1.2 COC1=CC=C(C=C1)[C@H](N)CC(=O)O CNP0244772.2 [0,2,0,0,0,0|1,0,0]=3 449 B14R1.2 CSC1=CC=C(C=C1)[C@@H](N)CC(=O)O CNP0396756.2 [0,2,0,0,0,0|1,1,0]=4 450 B14R1.2 CSC1=CC=C(C=C1)[C@H](N)CC(=O)O CNP0396756.1 [0,2,0,0,0,0|1,1,0]=4 451 B14R1.3 COC1=CC=C(C=C1)CC(=O)C(=O)O CNP0018016.0 [0,2,0,0,0,0|1,0,1]=4 452 B14R1.3 COC1=CC=C(C=C1)CC(=S)C(=O)O CNP0443715.0 [0,2,0,0,0,0|1,0,1]=4 453 B14R1.3 COC1=CC=C(C=C1)C[C@@H](N)C(=O)O CNP0402588.2 [0,2,0,0,0,0|1,0,0]=3 454 B14R1.3 COC1=CC=C(C=C1)C[C@@H](O)C(=O)N CNP0201099.1 [0,2,0,0,0,0|1,0,0]=3 455 B14R1.3 COC1=CC=C(C=C1)C[C@@H](O)C(=O)O CNP0320715.1 [0,2,0,0,0,0|1,0,0]=3 456 B14R1.3 COC1=CC=C(C=C1)C[C@H](N)C(=O)O CNP0402588.1 [0,2,0,0,0,0|1,0,0]=3 457 B14R1.3 COC1=CC=C(C=C1)NC(=O)C(=O)C CNP0062043.0 [0,2,0,0,0,0|1,0,1]=4 458 B14R1.3 COC1=CC=C(C=C1)NC(=S)C(=O)C CNP0241632.0 [0,2,0,0,0,0|1,0,1]=4 459 B14R1.3 COC1=CC=C(C=C1)OC(C)C(=O)O CNP0050337.0 [0,2,0,0,0,0|2,0,0]=4 460 B14R1.3 N[C@@H](CC1=CC=C(C=C1)CO)C(=O)O CNP0304718.1 [0,2,0,0,0,0|1,0,0]=3 461 B14R1.5 CCC(=O)C=CC1=CC=C(C=C1)OC CNP0191076.0 [0,2,0,0,0,0|0,0,2]=4 462 B14R1.5 CCC(=O)OCC1=CC=C(C=C1)OC CNP0085659.0 [0,2,0,0,0,0|1,0,0]=3 463 B14R1.5 COC(=NCC1=CC=C(C=C1)OC)S CNP0609364.0 [0,2,0,0,0,0|1,1,0]=4 464 B14R1.5 COC(=O)C=CC1=CC=C(C=C1)OC CNP0135555.0 [0,2,0,0,0,0|0,0,2]=4 465 B14R1.5 COC(=O)CCC1=CC=C(C=C1)OC CNP0273183.0 [0,2,0,0,0,0|0,0,0]=2 466 B14R1.5 COC(=O)COC1=CC=C(C=C1)C=O CNP0480251.0 [0,2,0,0,0,0|1,0,1]=4 467 B14R1.5 COC(=O)COC1=CC=C(C=C1)OC CNP0482350.0 [0,2,0,0,0,0|1,0,0]=3 468 B14R1.5 COC(=S)NCC1=CC=C(C=C1)OC CNP0378334.0 [0,2,0,0,0,0|1,1,0]=4 469 B14R1.103 COC1=CC=C(C(=C1)O)CCC(=O)O CNP0271285.0 [0,2,0,0,0,0|1,0,0]=3 470 B14R1.419 CC(=CCC1=CC=C(C=C1)C(=O)O)C CNP0170578.0 [0,2,0,0,0,0|1,0,1]=4 471 B14R1.419 CC(=O)OCC1=CC=C(C=C1)C(C)C CNP0282955.0 [0,2,0,0,0,0|2,0,0]=4 472 B14R1.419 O=C(O)COC1=CC=C(C=C1)C(=O)O CNP0454411.0 [0,2,0,0,0,0|2,0,0]=4 473 B14R1.3653 COC1=CC=C(C=C1O)CCC(=O)C CNP0128440.0 [0,2,0,0,0,0|0,0,0]=2 474 B14R1.3653 COC1=CC=C(C=C1O)CCC(=O)O CNP0304446.0 [0,2,0,0,0,0|1,0,0]=3 475 B14R1.10 COC(=O)CC(=O)C1=CC=C(C=C1)O CNP0317330.0 [0,2,0,0,0,0|0,0,1]=3 476 B14R1.134 COC(=O)C(=CC1=CC=C(C=C1)O)O CNP0199127.0 [0,2,0,0,0,0|0,0,2]=4 477 B14R1.134 COC(=O)C(N)CC1=CC=C(C=C1)Cl CNP0355431.0 [0,2,0,0,0,0|1,0,0]=3 478 B14R1.134 COC(=O)C(O)CC1=CC=C(C=C1)O CNP0118416.0 [0,2,0,0,0,0|0,0,0]=2 479 B14R1.134 COC(=O)[C@@H](C)CC1=CC=C(C=C1)C CNP0033915.2 [0,2,0,0,0,0|1,0,0]=3 480 B14R1.134 COC(=O)[C@@H](C)NC1=CC=C(C=C1)C CNP0481771.2 [0,2,0,0,0,0|2,0,0]=4 481 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(C=C1)O CNP0122998.1 [0,2,0,0,0,0|0,0,0]=2 482 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(C=N1)O CNP0236104.1 [0,2,0,0,0,0|1,0,0]=3 483 B14R1.134 COC(=O)[C@H](C)CC1=CC=C(C=C1)C CNP0033915.1 [0,2,0,0,0,0|1,0,0]=3 484 B14R1.134 COC(=O)[C@H](C)NC1=CC=C(C=C1)C CNP0481771.1 [0,2,0,0,0,0|2,0,0]=4 485 B14R1.134 COC(=O)[C@H](O)CC1=CC=C(C=C1)O CNP0118416.1 [0,2,0,0,0,0|0,0,0]=2 486 B14R1.134 N[C@H](CC1=CC=C(C=C1)I)C(=O)NO CNP0602089.1 [0,2,0,0,0,0|2,0,0]=4 487 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)O CNP0246158.0 [0,2,0,0,0,0|0,0,2]=4 488 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)O CNP0586111.0 [0,2,0,0,0,0|0,0,0]=2 489 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Br CNP0190106.0 [0,2,0,0,0,0|2,0,0]=4 490 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)C CNP0052927.0 [0,2,0,0,0,0|2,0,0]=4 491 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Cl CNP0111422.0 [0,2,0,0,0,0|2,0,0]=4 492 B14R1.727 COC(=O)C=CC1=CC=C(C=C1O)O CNP0266971.0 [0,2,0,0,0,0|0,0,2]=4 493 B14R1.727 COC(=O)CCC1=CC=C(C=C1O)O CNP0594204.0 [0,2,0,0,0,0|0,0,0]=2 494 B14R1.727 COC(=O)COC1=CC=C(C=C1Cl)Cl CNP0124604.0 [0,2,0,0,0,0|2,0,0]=4 495 B14R1.833 COC(=O)C=CC1=CC=C(C(=C1)O)O CNP0274791.0 [0,2,0,0,0,0|0,0,2]=4 496 B14R1.833 COC(=O)CCC1=CC=C(C(=C1)O)O CNP0198337.0 [0,2,0,0,0,0|0,0,0]=2 497 B14R1.132 C[C@H](C1=CC=C(C=C1)O)[C@H](O)C(=O)O CNP0597363.1 [0,2,0,0,0,0|1,0,0]=3 498 B14R1.132 O=C(O)[C@@H](O)[C@@H](O)C1=CC=C(C=C1)O CNP0602438.4 [0,2,0,0,0,0|1,0,0]=3 499 B14R1.132 O=C(O)[C@@H](O)[C@H](O)C1=CC=C(C=C1)O CNP0602438.2 [0,2,0,0,0,0|1,0,0]=3 500 B14R1.132 O=C(O)[C@H](O)[C@@H](O)C1=CC=C(C=C1)O CNP0602438.1 [0,2,0,0,0,0|1,0,0]=3 501 B14R1.132 O=C(O)[C@H](O)[C@H](O)C1=CC=C(C=C1)O CNP0602438.3 [0,2,0,0,0,0|1,0,0]=3 502 B14R1.132 [2H]C(C1=CC=C(C=C1)O)[C@H](N)C(=O)C CNP0265098.1 [0,2,0,0,0,0|0,0,0]=2 503 B14R1.685 CN(C)C[C@H](O)C1=CC=C(C(=C1)O)O CNP0123586.1 [0,2,0,0,0,0|2,0,0]=4 504 B14R1.1019 C=C[C@@H](OC(=O)C)C1=CC=C(C=C1)O CNP0242445.1 [0,2,0,0,0,0|1,0,0]=3 505 B14R1.1019 NC[C@@H](CC(=O)O)C1=CC=C(C=C1)Cl CNP0334961.2 [0,2,0,0,0,0|2,0,0]=4 506 B14R1.1019 NC[C@H](CC(=O)O)C1=CC=C(C=C1)Cl CNP0334961.1 [0,2,0,0,0,0|2,0,0]=4 507 B14R1.536 CNC(CC1=CC=C(C=C1)I)C(=O)O CNP0421391.0 [0,2,0,0,0,0|2,0,0]=4 508 B14R1.536 CN[C@@H](CC1=CC=C(C=C1)O)C(=O)O CNP0259108.2 [0,2,0,0,0,0|1,0,0]=3 509 B14R1.536 CN[C@H](CC1=CC=C(C=C1)O)C(=O)O CNP0259108.1 [0,2,0,0,0,0|1,0,0]=3 510 B14R1.536 CO[C@@H](CC1=CC=C(C=C1)O)C(=O)O CNP0255437.1 [0,2,0,0,0,0|1,0,0]=3 511 B14R1.536 O=C(O)C(=NO)CC1=CC=C(C=C1)O CNP0341137.0 [0,2,0,0,0,0|1,0,1]=4 512 B14R1.536 O=C(O)[C@H](CC1=CC=C(C=C1)O)NO CNP0247200.1 [0,2,0,0,0,0|1,0,0]=3 513 B14R1.686 C[C@@H](CC1=CC=C(C(=C1)O)O)C(=O)O CNP0236065.1 [0,2,0,0,0,0|1,0,0]=3 514 B14R1.686 N=C(CC1=CC=C(C(=C1)O)O)C(=O)O CNP0486723.0 [0,2,0,0,0,0|1,0,1]=4 515 B14R1.686 NC(=O)[C@@H](O)CC1=CC=C(C(=C1)O)O CNP0369894.2 [0,2,0,0,0,0|1,0,0]=3 516 B14R1.686 NC(=O)[C@H](O)CC1=CC=C(C(=C1)O)O CNP0369894.1 [0,2,0,0,0,0|1,0,0]=3 517 B14R1.686 NC1=CC(=CC=C1O)C[C@H](N)C(=O)O CNP0194206.2 [0,2,0,0,0,0|1,0,0]=3 518 B14R1.686 N[C@@H](CC1=CC(=O)C(=O)C=C1)C(=O)O CNP0118108.1 [0,2,0,0,0,0|1,0,1]=4 519 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)Br)O)C(=O)O CNP0139461.1 [0,2,0,0,0,0|1,0,0]=3 520 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)Cl)O)C(=O)O CNP0342895.1 [0,2,0,0,0,0|1,0,0]=3 521 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)I)O)C(=O)O CNP0354293.1 [0,2,0,0,0,0|1,0,0]=3 522 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)O)O)C(=O)O CNP0290328.1 [0,2,0,0,0,0|1,0,0]=3 523 B14R1.686 N[C@H](CC1=CC=C(C(=C1)I)O)C(=O)O CNP0354293.2 [0,2,0,0,0,0|1,0,0]=3 524 B14R1.686 N[C@H](CC1=CC=C(C(=C1)O)O)C(=O)O CNP0290328.2 [0,2,0,0,0,0|1,0,0]=3 525 B14R1.686 O=C(O)C(=O)CC1=CC=C(C(=C1)I)O CNP0275421.0 [0,2,0,0,0,0|1,0,1]=4 526 B14R1.686 O=C(O)C(=O)CC1=CC=C(C(=C1)O)O CNP0017898.0 [0,2,0,0,0,0|1,0,1]=4 527 B14R1.686 O=C(O)[C@@H](O)CC1=CC=C(C(=C1)O)O CNP0265014.2 [0,2,0,0,0,0|1,0,0]=3 528 B14R1.686 O=C(O)[C@H](O)CC1=CC=C(C(=C1)O)O CNP0265014.3 [0,2,0,0,0,0|1,0,0]=3 529 B14R1.686 O=C(O)[C@H](O)CC1=CC=C(C(=C1)O)[O-] CNP0265014.1 [0,2,0,0,0,0|1,0,1]=4 530 B14R1.700 N[C@@H](CC1=CC=C(C=C1)O)P(=O)(O)O CNP0575707.1 [0,2,0,0,0,0|2,0,0]=4 531 B14R1.6049 NC1=CC(=CC=C1C[C@@H](N)C(=O)O)O CNP0602905.1 [0,2,0,0,0,0|1,0,0]=3 532 B14R1.6049 NC1=CC(=CC=C1C[C@H](N)C(=O)O)O CNP0602905.2 [0,2,0,0,0,0|1,0,0]=3 533 B14R1.7626 C[C@](N)(CC1=CC=C(C=C1)O)C(=O)O CNP0340484.1 [0,2,0,0,0,0|1,0,0]=3 534 B14R1.1600 COC1=CC(=CC=C1CCC(=O)O)O CNP0477229.0 [0,2,0,0,0,0|1,0,0]=3 535 B14R1.3152 CC1=CC(=CC(=O)N1CCC(=O)O)O CNP0398874.0 [0,2,0,0,0,0|2,0,0]=4 536 B14R1.6036 CC(=O)C=CC1=CC(=C(C=C1Br)O)O CNP0131482.0 [0,2,0,0,0,0|0,0,2]=4 537 B14R1.6059 O=C(O)CCC1=CC=C(C(=C1O)O)O CNP0274011.0 [0,2,0,0,0,0|1,0,0]=3 538 B14R1.42 CC(=O)NNC1=CC=C(C(=C1)C=O)O CNP0149019.0 [0,2,0,0,0,0|2,0,0]=4 539 B14R1.42 CC(C)CCC1=CC=C(C(=C1)C=O)O CNP0310470.0 [0,2,0,0,0,0|1,0,1]=4 540 B14R1.42 COC1=CC(=CC=C1O)C=CC(=O)C CNP0236688.0 [0,2,0,0,0,0|0,0,2]=4 541 B14R1.42 COC1=CC(=CC=C1O)CCC(=O)C CNP0193523.0 [0,2,0,0,0,0|0,0,0]=2 542 B14R1.42 COC1=CC(=CC=C1O)CCC(=O)O CNP0327265.0 [0,2,0,0,0,0|1,0,0]=3 543 B14R1.42 COC1=CC(=CC=C1O)CCN(C)C CNP0191233.0 [0,2,0,0,0,0|2,0,0]=4 544 B14R1.42 COC1=CC(=CC=C1O)CC[C@@H](C)O CNP0301157.2 [0,2,0,0,0,0|0,0,2]=4 545 B14R1.42 COC1=CC(=CC=C1O)CC[C@H](C)O CNP0301157.1 [0,2,0,0,0,0|0,0,2]=4 546 B14R1.684 C[N+](C)(C)CCC1=CC=C(C(=C1)Br)O CNP0178962.0 [0,2,0,0,0,0|2,0,0]=4 547 B14R1.684 C[N+](C)(C)CCC1=CC=C(C(=C1)I)O CNP0059790.0 [0,2,0,0,0,0|2,0,0]=4 548 B14R1.684 C[N+](C)(C)CCC1=CC=C(C(=C1)O)O CNP0521587.0 [0,2,0,0,0,0|2,0,0]=4 549 B14R1.684 C[N+](C)(C)CCC1=CC=C(C(=C1)O)O CNP0592893.0 [0,2,0,0,0,0|2,0,0]=4 550 B14R1.15552 CC(=O)C=CC1=CC(=C(C(=C1)Br)O)O CNP0163311.0 [0,2,0,0,0,0|0,0,2]=4 551 B14R1.15552 CC(=O)OCC1=CC(=C(C(=C1)Br)O)Br CNP0018720.0 [0,2,0,0,0,0|1,0,0]=3 552 B14R1.15552 O=C(O)CCC1=CC(=C(C(=C1)Cl)O)Cl CNP0482773.0 [0,2,0,0,0,0|1,0,0]=3 553 B12R2.24 CC1=CC=C2CCCCC2=C1 CNP0289026.0 [1,0,0,1,0,0|1,0,1]=4 554 B12R2.24 IC1=CC=C2CCNCC2=C1 CNP0494703.0 [1,0,0,1,0,0|2,0,0]=4 555 B12R2.24 OC1=CC=C2CCCCC2=C1 CNP0031078.0 [1,0,0,1,0,0|0,0,1]=3 556 B12R2.24 OC1=CC=C2CCNCC2=C1 CNP0284580.0 [1,0,0,1,0,0|1,0,0]=3 557 B12R2.24 OC1=CC=C2CNCCC2=C1 CNP0194768.0 [1,0,0,1,0,0|1,0,1]=4 558 B12R2.24 OC1=CC=C2OCC=CC2=C1 CNP0535758.0 [1,0,0,1,0,0|1,0,1]=4 559 B12R2.79 C[C@H]1O[C@@H]1C2=CC=C(C=C2)O CNP0275134.1 [1,0,0,1,0,0|1,0,1]=4 560 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 CNP0107236.0 [1,0,0,1,0,0|1,0,0]=3 561 B12R2.132 C[C@H]1CCC2=CC=C(C=C12)O CNP0247617.1 [1,0,0,1,0,0|0,0,1]=3 562 B12R2.132 O=C1CCC2=CC=C(C=C12)O CNP0121062.0 [1,0,0,1,0,0|0,0,0]=2 563 B12R2.132 O=C1COC2=CC=C(C=C12)O CNP0168548.0 [1,0,0,1,0,0|1,0,0]=3 564 B12R2.3190 O=C(O)[C@@H]1CC2=CC=CC=C12 CNP0459478.1 [1,0,0,1,0,0|1,0,0]=3 565 B12R2.3190 O=C(O)[C@H]1CC2=CC=CC=C12 CNP0459478.2 [1,0,0,1,0,0|1,0,0]=3 566 B12R2.606 O=C1CC2=CC(=CC=C2N1)Br CNP0029487.0 [0,0,0,1,1,0|2,0,0]=4 567 B12R2.606 O=C1CC2=CC(=CC=C2N1)Cl CNP0609117.0 [0,0,0,1,1,0|2,0,0]=4 568 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CNP0080133.0 [0,0,0,1,1,0|1,0,0]=3 569 B12R2.606 O=C1CC2=CC(=CC=C2O1)O CNP0197068.0 [0,0,0,1,1,0|1,0,0]=3 570 B12R2.606 O=C1CC2=CC=C(C=C2N1)Br CNP0170267.0 [0,0,0,1,1,0|2,0,0]=4 571 B12R2.606 O=C1CC2=CC=C(C=C2N1)O CNP0215355.0 [0,0,0,1,1,0|1,0,0]=3 572 B12R2.606 O=C1CC2=CC=C(C=C2O1)O CNP0517521.0 [0,0,0,1,1,0|1,0,0]=3 573 B12R2.606 O=C1NC2=CC=C(C=C2O1)O CNP0377919.0 [0,0,0,1,1,0|2,0,0]=4 574 B12R2.606 O=C1NC2=CC=C(C=C2S1)O CNP0192870.0 [0,0,0,1,1,0|2,0,0]=4 575 B12R2.606 O=C1OC2=CC(=CC=C2S1)O CNP0374905.0 [0,0,0,1,1,0|2,0,0]=4 576 B14R2.20 CC1=CC=C(C=C1)N2CCC(=O)N2 CNP0034344.0 [0,0,0,1,0,1|2,0,0]=4 577 B14R2.20 O=C1CCN(N1)C2=CC=C(C=C2)Br CNP0180652.0 [0,0,0,1,0,1|2,0,0]=4 578 B14R2.20 OC1=CC=C(C=C1)C2CC(=S)SS2 CNP0345152.0 [0,0,0,1,0,1|1,1,0]=4 579 B14R2.134 COC1=CC=C2CCC(=O)OC2=C1 CNP0258889.0 [0,1,0,1,0,0|1,0,0]=3 580 B14R2.1295 COC1=CC=C2C[C@@H](C2=C1)C(=O)O CNP0443931.2 [0,1,0,1,0,0|1,0,0]=3 581 B14R2.1295 COC1=CC=C2C[C@H](C2=C1)C(=O)O CNP0443931.1 [0,1,0,1,0,0|1,0,0]=3 582 B14R2.29365 C[C@@H]1CC(=O)OC2=CC(=CC=C12)O CNP0069585.1 [0,1,0,1,0,0|1,0,0]=3 583 B14R2.29365 C[C@H]1CC(=O)OC2=CC(=CC=C12)O CNP0069585.2 [0,1,0,1,0,0|1,0,0]=3 584 B14R2.4529 C=C(C)[C@@H]1CC2=CC=C(C=C2O1)O CNP0413134.1 [0,1,0,1,0,0|1,0,0]=3 585 B14R2.4529 C=C(C)[C@H]1CC2=CC=C(C=C2O1)O CNP0413134.2 [0,1,0,1,0,0|1,0,0]=3 586 B14R2.8239 CN1CCC2=CC(=C(C=C2C1)O)O CNP0184733.0 [0,1,0,1,0,0|2,0,0]=4 587 B14R2.8239 NC1CCC2=CC(=C(C=C2C1)O)O CNP0604186.0 [0,1,0,1,0,0|1,0,1]=4 588 B14R2.8239 O=C1CCC2=CC(=C(C=C2O1)O)O CNP0106848.0 [0,1,0,1,0,0|1,0,0]=3 589 B14R2.8333 C[N+]1(CCC2=CC(=C(C=C12)O)O)C CNP0506110.0 [0,1,0,1,0,0|2,0,0]=4 590 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,0,0,0,1,0|1,0,0]=3 591 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,0,0,0,1,0|1,0,1]=4 592 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [1,0,0,0,1,0|2,0,0]=4 593 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,0,0,0,1,0|0,0,0]=2 594 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [1,0,0,0,1,0|1,0,0]=3 595 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [1,0,0,0,1,0|1,0,0]=3 596 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [1,0,0,0,1,0|2,0,0]=4 597 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [1,0,0,0,1,0|1,1,0]=4 598 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [1,0,0,0,1,0|1,0,1]=4 599 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [1,0,0,0,1,0|2,0,0]=4 600 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [1,0,0,0,1,0|1,0,1]=4 601 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [1,0,0,0,1,0|1,0,1]=4 602 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [1,0,0,0,1,0|1,0,1]=4 603 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [1,0,0,0,1,0|1,0,1]=4 604 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [1,0,0,0,1,0|2,0,0]=4 605 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [1,0,0,0,1,0|1,0,0]=3 606 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [1,0,0,0,1,0|2,0,0]=4 607 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [1,0,0,0,1,0|2,0,0]=4 608 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [1,0,0,0,1,0|1,0,0]=3 609 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [1,0,0,0,1,0|1,0,0]=3 610 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [1,0,0,0,1,0|1,0,0]=3 611 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [1,0,0,0,1,0|2,0,0]=4 612 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [1,0,0,0,1,0|1,0,0]=3 613 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [1,0,0,0,1,0|2,0,0]=4 614 B10R1.66 CC(=O)SCC1=CC=CO1 CNP0018548.0 [1,0,0,0,1,0|2,0,0]=4 615 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [0,0,0,0,2,0|2,0,0]=4 616 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [0,0,0,0,2,0|1,0,0]=3 617 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [0,0,0,0,2,0|1,0,0]=3 618 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [0,0,0,0,2,0|1,0,0]=3 619 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [0,0,0,0,2,0|1,0,0]=3 620 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [0,0,0,0,2,0|0,0,0]=2 621 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [0,0,0,0,2,0|2,0,0]=4 622 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [0,0,0,0,2,0|2,0,0]=4 623 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [0,0,0,0,2,0|1,0,1]=4 624 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [0,0,0,0,2,0|1,0,1]=4 625 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [0,0,0,0,2,0|2,0,0]=4 626 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [0,0,0,0,2,0|2,0,0]=4 627 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [0,0,0,0,2,0|2,0,0]=4 628 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [0,0,0,0,2,0|2,0,0]=4 629 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [0,0,0,0,2,0|0,0,2]=4 630 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [0,0,0,0,2,0|0,0,2]=4 631 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [0,0,0,0,2,0|1,0,0]=3 632 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [0,0,0,0,2,0|2,0,0]=4 633 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [0,0,0,0,2,0|2,0,0]=4 634 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [0,0,0,0,2,0|2,0,0]=4 635 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [0,0,0,0,2,0|2,0,0]=4 636 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [0,0,0,0,2,0|1,0,0]=3 637 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [0,0,0,0,2,0|2,0,0]=4 638 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [0,0,0,0,2,0|1,0,1]=4 639 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [0,0,0,0,2,0|2,0,0]=4 640 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [0,0,0,0,2,0|2,0,0]=4 641 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [0,0,0,0,2,0|2,0,0]=4 642 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [0,0,0,0,2,0|1,0,0]=3 643 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [0,0,0,0,2,0|2,0,0]=4 644 B10R1.54 CC(=O)CC1=CC=C(O1)C CNP0609799.0 [0,0,0,0,2,0|2,0,0]=4 645 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [1,0,0,0,0,1|1,0,0]=3 646 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 CNP0071032.0 [1,0,0,0,0,1|1,0,1]=4 647 B12R1.252 CC(=O)NCCC1=CC=CC=C1 CNP0298057.0 [1,0,0,0,0,1|0,0,0]=2 648 B12R1.252 CC(=O)OCCC1=CC=CC=C1 CNP0195113.0 [1,0,0,0,0,1|0,0,0]=2 649 B12R1.252 NC(=O)CC=CC1=CC=CC=C1 CNP0073923.0 [1,0,0,0,0,1|1,0,1]=4 650 B12R1.252 NC(=O)NCCC1=CC=CC=C1 CNP0509449.0 [1,0,0,0,0,1|1,0,0]=3 651 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 CNP0242436.0 [1,0,0,0,0,1|1,0,1]=4 652 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CNP0152618.0 [1,0,0,0,0,1|1,0,0]=3 653 B12R1.252 O=C(O)CCCC1=CC=CN=C1 CNP0002375.0 [1,0,0,0,0,1|2,0,0]=4 654 B12R1.252 O=C(O)CCOC1=CC=CC=C1 CNP0002351.0 [1,0,0,0,0,1|1,0,0]=3 655 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CNP0438400.0 [1,0,0,0,0,1|1,0,0]=3 656 B14R1.677 CC(=O)CCC=CC1=CC=C(C=C1)O CNP0249738.0 [0,0,0,0,0,2|0,0,0]=2 657 B14R1.677 CC(=O)OCC=CC1=CC=C(C=C1)O CNP0136768.0 [0,0,0,0,0,2|0,0,1]=3 658 B14R1.677 CC(=O)OCCCC1=CC=C(C=C1)O CNP0197993.0 [0,0,0,0,0,2|0,0,0]=2 659 B14R1.677 C[C@H](O)CC/C=C/C1=CC=C(C=C1)O CNP0161748.1 [0,0,0,0,0,2|0,0,2]=4