0 B14R1.42 COC1=C(C=CC(C1)C=CC(=O)O)O CNP0554430.0 [0,0,0,0,0,0|0,0,2]=2 1 B14R1.42 COC1=CC(=CC=C1C)C=CC(=O)O CNP0181271.0 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.42 COC1=CC(=CC=C1O)C=CC(=O)C CNP0236688.0 [0,0,0,0,0,0|1,0,0]=1 3 B14R1.42 COC1=CC(=CC=C1O)C=CC(=O)N CNP0288547.0 [0,0,0,0,0,0|1,0,0]=1 4 B14R1.42 COC1=CC(=CC=C1O)C=CC(=O)O CNP0304940.0 [0,0,0,0,0,0|0,0,0]=0 5 B14R1.42 COC1=CC(=CC=C1O)C=CC(O)O CNP0100968.0 [0,0,0,0,0,0|0,0,2]=2 6 B14R1.42 COC1=CC(=CC=C1O)C=C[N+](=O)[O-] CNP0527150.0 [0,0,0,0,0,0|1,0,1]=2 7 B14R1.42 COC1=CC(=CC=C1O)CCC(=O)C CNP0193523.0 [0,0,0,0,0,0|1,0,2]=3 8 B14R1.42 COC1=CC(=CC=C1O)CCC(=O)O CNP0327265.0 [0,0,0,0,0,0|0,0,2]=2 9 B14R1.42 COC1=CC(=CC=C1O)CC[C@@H](C)O CNP0301157.2 [0,0,0,0,0,0|1,0,3]=4 10 B14R1.42 COC1=CC(=CC=C1O)CC[C@H](C)O CNP0301157.1 [0,0,0,0,0,0|1,0,3]=4 11 B14R1.42 O=CC1=CC(=CC=C1O)C=CC(=O)O CNP0137686.0 [0,0,0,0,0,0|2,0,0]=2 12 B13R1.511 CC(=O)C=CC1=CC=C(C(=C1)O)O CNP0261862.0 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.511 CC(=O)CCC1=CC=C(C(=C1)O)O CNP0175802.0 [1,0,0,0,0,0|1,0,2]=4 14 B13R1.511 CC1=CC(=CC=C1O)C=CC(=O)O CNP0164069.0 [1,0,0,0,0,0|0,0,0]=1 15 B13R1.511 NC(=O)C=CC1=CC=C(C(=C1)O)O CNP0555794.0 [1,0,0,0,0,0|1,0,0]=2 16 B13R1.511 O=C(O)C=CC1=CC(=O)C(=O)C=C1 CNP0081893.0 [1,0,0,0,0,0|0,0,2]=3 17 B13R1.511 O=C(O)C=CC1=CC=C(C(=C1)Cl)Cl CNP0275534.0 [1,0,0,0,0,0|2,0,0]=3 18 B13R1.511 O=C(O)C=CC1=CC=C(C(=C1)O)O CNP0186784.0 [1,0,0,0,0,0|0,0,0]=1 19 B13R1.511 O=C(O)C=CC1C=CC(=C(C1)O)O CNP0489222.0 [1,0,0,0,0,0|0,0,2]=3 20 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)Cl)O CNP0565501.0 [1,0,0,0,0,0|1,0,2]=4 21 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)O)O CNP0265756.0 [1,0,0,0,0,0|0,0,2]=3 22 B13R1.511 O=[N+]([O-])C=CC1=CC=C(C(=C1)O)O CNP0342199.0 [1,0,0,0,0,0|1,0,1]=3 23 B13R1.575 COC1=C(C#CC(=C1)C=CCO)O CNP0564257.0 [1,0,0,0,0,0|0,0,3]=4 24 B13R1.575 COC1=C(C=CC(C1)C=CCO)O CNP0508404.0 [1,0,0,0,0,0|0,0,3]=4 25 B13R1.575 COC1=CC(=CC=C1O)C=CC=O CNP0326347.0 [1,0,0,0,0,0|0,0,0]=1 26 B13R1.575 COC1=CC(=CC=C1O)C=CCO CNP0239078.0 [1,0,0,0,0,0|0,0,1]=2 27 B13R1.575 COC1=CC(=CC=C1O)CC=C=O CNP0144019.0 [1,0,0,0,0,0|0,0,2]=3 28 B13R1.575 COC1=CC(=CC=C1O)CC=CO CNP0508330.0 [1,0,0,0,0,0|0,0,1]=2 29 B13R1.575 COC1=CC(=CC=C1O)CCC=O CNP0299379.0 [1,0,0,0,0,0|0,0,2]=3 30 B13R1.575 COC1=CC(=CC=C1O)CCCO CNP0140320.0 [1,0,0,0,0,0|0,0,3]=4 31 B13R1.643 COC1=CC=CC(=C1)C=CC(=O)O CNP0263486.0 [1,0,0,0,0,0|0,0,0]=1 32 B13R1.643 COC1=CC=CC(=C1)C=C[N+](=O)[O-] CNP0478941.0 [1,0,0,0,0,0|1,0,1]=3 33 B13R1.643 COC1=CC=CC(=C1)CCC(=O)O CNP0181921.0 [1,0,0,0,0,0|0,0,2]=3 34 B15R1.392 COC1=C(C(=O)OC(=C1)C=CC(=O)C)C CNP0246164.0 [0,1,0,0,0,0|3,0,0]=4 35 B15R1.392 COC1=CC(=CC(=C1O)O)C=CC(=O)O CNP0201458.0 [0,1,0,0,0,0|0,0,0]=1 36 B15R1.392 COC1=CC(=CC(=C1O)O)C=CC(O)O CNP0584307.0 [0,1,0,0,0,0|0,0,2]=3 37 B15R1.392 COC1=CC(=CC(=C1O)O)CC=C(C)C CNP0400425.0 [0,1,0,0,0,0|2,0,1]=4 38 B15R1.392 COC1=CC(=CC(=C1O)O)CCC(=O)C CNP0230079.0 [0,1,0,0,0,0|1,0,2]=4 39 B15R1.531 C=CCC1=CC(=CC=C1O)C=CC(=O)O CNP0256349.0 [0,1,0,0,0,0|1,0,1]=3 40 B15R1.531 CCOC1=CC(=CC=C1O)C=C[N+](=O)[O-] CNP0487462.0 [0,1,0,0,0,0|1,0,1]=3 41 B15R1.531 NN=CC1=CC(=CC=C1O)C=CC(=O)O CNP0519660.0 [0,1,0,0,0,0|2,0,0]=3 42 B15R1.873 N=C(N)C1=CC(=CC=C1O)C=CC(=O)O CNP0235361.0 [0,1,0,0,0,0|2,0,0]=3 43 B15R1.873 NC(N)C1=CC(=CC=C1O)C=CC(=O)O CNP0446624.0 [0,1,0,0,0,0|2,0,0]=3 44 B15R1.1803 COC1=CC(=C(C=C1O)O)C=CC(=O)O CNP0117360.0 [0,1,0,0,0,0|0,0,0]=1 45 B15R1.4038 COC1=CC(=CC=C1O)C=C(C)C(=O)C CNP0126027.0 [0,1,0,0,0,0|1,0,0]=2 46 B15R1.4038 COC1=CC(=CC=C1O)C=C(O)C(=O)O CNP0585480.0 [0,1,0,0,0,0|0,0,0]=1 47 B15R1.4038 COC1=CC(=CC=C1O)CC(=O)C(=O)O CNP0182576.0 [0,1,0,0,0,0|0,0,1]=2 48 B15R1.4038 COC1=CC(=CC=C1O)CC(=S)C(=O)O CNP0455983.0 [0,1,0,0,0,0|0,0,1]=2 49 B15R1.4038 COC1=CC(=CC=C1O)CC(O)C(=O)O CNP0084890.0 [0,1,0,0,0,0|0,0,2]=3 50 B15R1.4038 COC1=CC(=CC=C1O)C[C@@H](C)C(=O)O CNP0148942.1 [0,1,0,0,0,0|0,0,2]=3 51 B15R1.4038 COC1=CC(=CC=C1O)C[C@H](N)C(=O)O CNP0192186.1 [0,1,0,0,0,0|0,0,2]=3 52 B15R1.4039 CCC(=O)CCC1=CC=C(C(=C1)OC)O CNP0158112.0 [0,1,0,0,0,0|1,0,2]=4 53 B15R1.4039 COC(=O)C=CC1=CC=C(C(=C1)C=O)O CNP0214902.0 [0,1,0,0,0,0|2,0,0]=3 54 B15R1.4039 COC(=O)C=CC1=CC=C(C(=C1)OC)O CNP0386472.0 [0,1,0,0,0,0|0,0,0]=1 55 B15R1.4039 COC(=O)CCC1=CC=C(C(=C1)OC)O CNP0315418.0 [0,1,0,0,0,0|0,0,2]=3 56 B15R1.12854 COC1=CC=C(C=C1OC)/C=C/[C@H](C)O CNP0205385.1 [0,1,0,0,0,0|1,0,1]=3 57 B15R1.12854 COC1=CC=C(C=C1OC)C=CC(=O)N CNP0348149.0 [0,1,0,0,0,0|1,0,0]=2 58 B15R1.12854 COC1=CC=C(C=C1OC)C=CC(=O)O CNP0235910.0 [0,1,0,0,0,0|0,0,0]=1 59 B15R1.12854 COC1=CC=C(C=C1OC)C=C[N+](=O)[O-] CNP0591112.0 [0,1,0,0,0,0|1,0,1]=3 60 B15R1.12854 COC1=CC=C(C=C1OC)CCC(=O)C CNP0267914.0 [0,1,0,0,0,0|1,0,2]=4 61 B15R1.12854 COC1=CC=C(C=C1OC)CCC(=O)N CNP0339075.0 [0,1,0,0,0,0|1,0,2]=4 62 B15R1.12854 COC1=CC=C(C=C1OC)CCC(=O)O CNP0228435.0 [0,1,0,0,0,0|0,0,2]=3 63 B15R2.1754 COC1=CC2=C(C=C1O)OC(=O)C=C2 CNP0184442.0 [0,0,0,1,0,0|0,0,0]=1 64 B15R2.1754 COC1=CC2=C(C=C1O)OC(=O)CC2 CNP0423453.0 [0,0,0,1,0,0|0,0,2]=3 65 B15R2.1754 COC1=CC2=CC=C(C=C2OC1=O)O CNP0312328.0 [0,0,0,1,0,0|2,0,1]=4 66 B15R2.1754 COC1=CC2=CC=C(N=C2C=C1O)O CNP0575564.0 [0,0,0,1,0,0|1,0,0]=2 67 B15R2.1754 O=CC1=CC2=C(C=C1O)OC(=O)C=C2 CNP0301461.0 [0,0,0,1,0,0|2,0,0]=3 68 B15R2.4520 COC1=CC(=CC=C1O)C=C2OC2O CNP0482321.0 [0,0,0,1,0,0|0,0,2]=3 69 B15R2.7688 CC(=O)CCC1=CC=C2OCOC2=C1 CNP0147307.0 [0,0,0,1,0,0|1,0,2]=4 70 B15R2.7688 CC(=O)OCC1=CC=C2OCOC2=C1 CNP0415728.0 [0,0,0,1,0,0|2,0,1]=4 71 B15R2.7688 O=C(O)C=CC1=CC=C2OCOC2=C1 CNP0363442.0 [0,0,0,1,0,0|0,0,0]=1 72 B15R2.7688 O=C(O)CCC1=CC=C2OCCC2=C1 CNP0116181.0 [0,0,0,1,0,0|1,0,2]=4 73 B15R2.20732 COC1=CC2=C(C=C1C)[C@@H](C2)C(=O)O CNP0471604.2 [0,0,0,1,0,0|1,0,2]=4 74 B15R2.20732 COC1=CC2=C(C=C1C)[C@H](C2)C(=O)O CNP0471604.1 [0,0,0,1,0,0|1,0,2]=4 75 B15R2.36352 COC1=C(C=CC2=C1OC(=O)C=C2)O CNP0130357.0 [0,0,0,1,0,0|0,0,0]=1 76 B15R2.36352 O=CC1=C(C=CC2=C1OC(=O)C=C2)O CNP0127749.0 [0,0,0,1,0,0|2,0,0]=3 77 B13R1.52 COC1=CC(=CC=C1Br)CC(=O)O CNP0473704.0 [0,0,0,0,1,0|1,0,1]=3 78 B13R1.52 COC1=CC(=CC=C1O)CC(=O)C CNP0185438.0 [0,0,0,0,1,0|1,0,1]=3 79 B13R1.52 COC1=CC(=CC=C1O)CC(=O)O CNP0188137.0 [0,0,0,0,1,0|0,0,1]=2 80 B13R1.52 COC1=CC(=CC=C1O)C[C@H](C)O CNP0207715.1 [0,0,0,0,1,0|1,0,2]=4 81 B13R1.69 COC1CC(=CC1=O)C=CC(=O)O CNP0567179.0 [0,0,0,0,1,0|0,0,3]=4 82 B15R1.4030 COC1=CC(=CC=C1O)C=CCC(=O)O CNP0376259.0 [0,0,0,0,0,1|0,0,0]=1 83 B15R1.4030 COC1=CC(=CC=C1O)CCCC(=O)C CNP0313182.0 [0,0,0,0,0,1|1,0,2]=4 84 B15R1.4030 COC1=CC(=CC=C1O)CCCC(=O)O CNP0075877.0 [0,0,0,0,0,1|0,0,2]=3 85 B15R1.4030 COC1=CC(=CC=C1O)CCOC(=O)C CNP0089238.0 [0,0,0,0,0,1|1,0,2]=4 86 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [2,0,0,0,0,0|1,0,0]=3 87 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [2,0,0,0,0,0|1,0,0]=3 88 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)Cl CNP0552238.0 [2,0,0,0,0,0|2,0,0]=4 89 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)O CNP0070658.0 [2,0,0,0,0,0|1,0,0]=3 90 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Br CNP0594784.0 [2,0,0,0,0,0|1,0,0]=3 91 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Cl CNP0031776.0 [2,0,0,0,0,0|1,0,0]=3 92 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O CNP0255341.0 [2,0,0,0,0,0|0,0,0]=2 93 B12R1.21 O=C(O)C=CC1C=CC(=CC1)O CNP0583876.0 [2,0,0,0,0,0|0,0,2]=4 94 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [2,0,0,0,0,0|0,0,2]=4 95 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O CNP0287419.0 [2,0,0,0,0,0|1,0,1]=4 96 B12R1.21 O=C(O)COC1=CC=C(C=C1)O CNP0053966.0 [2,0,0,0,0,0|1,0,1]=4 97 B12R1.21 O=[N+]([O-])C=CC1=CC=C(C=C1)O CNP0507113.0 [2,0,0,0,0,0|1,0,1]=4 98 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br CNP0574767.0 [2,0,0,0,0,0|1,0,0]=3 99 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Cl CNP0394142.0 [2,0,0,0,0,0|1,0,0]=3 100 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)O CNP0335428.0 [2,0,0,0,0,0|0,0,0]=2 101 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O CNP0166101.0 [2,0,0,0,0,0|0,0,2]=4 102 B12R1.226 O=C(O)CNC1=CC=CC(=C1)O CNP0322304.0 [2,0,0,0,0,0|1,0,1]=4 103 B12R1.385 COC=CC1=CC=C(C(=C1)O)O CNP0132109.0 [2,0,0,0,0,0|2,0,0]=4 104 B12R1.385 O=CC=CC1=CC=C(C(=C1)O)O CNP0169964.0 [2,0,0,0,0,0|0,0,0]=2 105 B12R1.385 OCC=CC1=CC=C(C(=C1)O)O CNP0214486.0 [2,0,0,0,0,0|0,0,1]=3 106 B12R1.286 C=CCC1=CC=C(C(=C1)OC)O CNP0134292.0 [2,0,0,0,0,0|0,0,1]=3 107 B12R1.286 CC=CC1=CC=C(C(=C1)OC)O CNP0315621.0 [2,0,0,0,0,0|0,0,1]=3 108 B12R1.286 CCC1=CC(=CC=C1O)NC=O CNP0272770.0 [2,0,0,0,0,0|2,0,0]=4 109 B12R1.286 COC1=CC(=CC=C1O)C=CO CNP0237756.0 [2,0,0,0,0,0|0,0,0]=2 110 B12R1.286 COC1=CC(=CC=C1O)C=NO CNP0416336.0 [2,0,0,0,0,0|1,0,0]=3 111 B12R1.286 COC1=CC(=CC=C1O)CC=O CNP0262632.0 [2,0,0,0,0,0|0,0,1]=3 112 B12R1.286 COC1=CC(=CC=C1O)CCO CNP0423217.0 [2,0,0,0,0,0|0,0,2]=4 113 B14R1.686 CC(=CC1=CC=C(C(=C1)O)O)C(=O)O CNP0080811.0 [1,1,0,0,0,0|0,0,0]=2 114 B14R1.686 C[C@@H](CC1=CC=C(C(=C1)O)O)C(=O)O CNP0236065.1 [1,1,0,0,0,0|0,0,2]=4 115 B14R1.686 N=C(CC1=CC=C(C(=C1)O)O)C(=O)O CNP0486723.0 [1,1,0,0,0,0|0,0,1]=3 116 B14R1.686 N[C@@H](CC1=CC=C(C(=C1)O)O)C(=O)O CNP0290328.1 [1,1,0,0,0,0|0,0,2]=4 117 B14R1.686 N[C@H](CC1=CC=C(C(=C1)O)O)C(=O)O CNP0290328.2 [1,1,0,0,0,0|0,0,2]=4 118 B14R1.686 O=C(O)C(=CC1=CC=C(C(=C1)O)O)O CNP0487192.0 [1,1,0,0,0,0|0,0,0]=2 119 B14R1.686 O=C(O)C(=O)CC1=CC=C(C(=C1)I)O CNP0275421.0 [1,1,0,0,0,0|1,0,1]=4 120 B14R1.686 O=C(O)C(=O)CC1=CC=C(C(=C1)O)O CNP0017898.0 [1,1,0,0,0,0|0,0,1]=3 121 B14R1.686 O=C(O)[C@@H](O)CC1=CC=C(C(=C1)O)O CNP0265014.2 [1,1,0,0,0,0|0,0,2]=4 122 B14R1.686 O=C(O)[C@H](O)CC1=CC=C(C(=C1)O)O CNP0265014.3 [1,1,0,0,0,0|0,0,2]=4 123 B14R1.833 COC(=O)C=CC1=CC=C(C(=C1)O)O CNP0274791.0 [1,1,0,0,0,0|0,0,0]=2 124 B14R1.833 COC(=O)CCC1=CC=C(C(=C1)O)O CNP0198337.0 [1,1,0,0,0,0|0,0,2]=4 125 B14R1.3653 COC1=CC=C(C=C1O)C=CC(=O)N CNP0436701.0 [1,1,0,0,0,0|1,0,0]=3 126 B14R1.3653 COC1=CC=C(C=C1O)C=CC(=O)O CNP0283368.0 [1,1,0,0,0,0|0,0,0]=2 127 B14R1.3653 COC1=CC=C(C=C1O)C=C[N+](=O)[O-] CNP0538537.0 [1,1,0,0,0,0|1,0,1]=4 128 B14R1.3653 COC1=CC=C(C=C1O)CCC(=O)O CNP0304446.0 [1,1,0,0,0,0|0,0,2]=4 129 B14R1.6036 CC(=O)C=CC1=CC(=C(C=C1Br)O)O CNP0131482.0 [1,1,0,0,0,0|1,0,0]=3 130 B14R1.6036 O=C(O)C=CC1=CC(=C(C=C1O)O)O CNP0134128.0 [1,1,0,0,0,0|0,0,0]=2 131 B14R1.6036 O=C(O)C=CC1=CC(=O)C(=CC1O)O CNP0081895.0 [1,1,0,0,0,0|0,0,2]=4 132 B14R1.6059 CC(=O)C=CC1=CC=C(C(=C1C)C)C CNP0175849.0 [1,1,0,0,0,0|2,0,0]=4 133 B14R1.6059 O=C(O)C=CC1=CC=C(C(=C1O)O)O CNP0021879.0 [1,1,0,0,0,0|0,0,0]=2 134 B14R1.6059 O=C(O)CCC1=CC=C(C(=C1O)O)O CNP0274011.0 [1,1,0,0,0,0|0,0,2]=4 135 B14R1.15552 CC(=O)C=CC1=CC(=C(C(=C1)Br)O)O CNP0163311.0 [1,1,0,0,0,0|1,0,0]=3 136 B14R1.15552 O=C(O)C=CC1=CC(=C(C(=C1)Br)O)Br CNP0221881.0 [1,1,0,0,0,0|1,0,0]=3 137 B14R1.15552 O=C(O)C=CC1=CC(=C(C(=C1)O)O)O CNP0399658.0 [1,1,0,0,0,0|0,0,0]=2 138 B14R1.626 COC1=CC(=CC=C1O)C(=O)CCO CNP0268766.0 [1,1,0,0,0,0|0,0,2]=4 139 B14R1.793 C=CC=CC1=CC=C(C(=C1)OC)OC CNP0228103.0 [1,1,0,0,0,0|1,0,0]=3 140 B14R1.793 CCC=CC1=CC=C(C(=C1)OC)OC CNP0242434.0 [1,1,0,0,0,0|1,0,1]=4 141 B14R1.793 COC1=C(CC(C=C1)C=CC=O)OC CNP0170226.0 [1,1,0,0,0,0|0,0,2]=4 142 B14R1.793 COC1=C(C[C@H](C=C1)/C=C/C=O)OC CNP0170226.2 [1,1,0,0,0,0|0,0,2]=4 143 B14R1.793 COC1=C(C[C@H](C=C1)C=CC=O)OC CNP0170226.1 [1,1,0,0,0,0|0,0,2]=4 144 B14R1.793 COC1=CC=C(C=C1OC)C=CC=O CNP0207087.0 [1,1,0,0,0,0|0,0,0]=2 145 B14R1.793 COC1=CC=C(C=C1OC)C=CCO CNP0294314.0 [1,1,0,0,0,0|0,0,1]=3 146 B14R1.793 COC1=CC=C(C=C1OC)CC=NO CNP0350734.0 [1,1,0,0,0,0|1,0,1]=4 147 B14R1.793 COC1=CC=C(C=C1OC)CCC=O CNP0567000.0 [1,1,0,0,0,0|0,0,2]=4 148 B14R1.793 COC=CC1=CC=C(C(=C1)OC)OC CNP0222543.0 [1,1,0,0,0,0|2,0,0]=4 149 B14R1.907 COC1=CC(=CC=C1O)C=CCCO CNP0102415.0 [1,1,0,0,0,0|0,0,1]=3 150 B14R1.907 COC1=CC(=CC=C1O)C=COOO CNP0421749.0 [1,1,0,0,0,0|1,0,0]=3 151 B14R1.907 COCC=CC1=CC=C(C(=C1)OC)O CNP0141712.0 [1,1,0,0,0,0|0,0,1]=3 152 B14R1.3405 COC1=CC(=CC=C1O)CC(=O)CO CNP0317003.0 [1,1,0,0,0,0|0,0,2]=4 153 B14R1.7499 COC1=CC(=CC(=C1O)O)C=CC=O CNP0274631.0 [1,1,0,0,0,0|0,0,0]=2 154 B14R1.7499 COC1=CC(=CC(=C1O)O)C=CCO CNP0359831.0 [1,1,0,0,0,0|0,0,1]=3 155 B14R1.7499 COC1=CC(=CC(=C1O)O)CCC=O CNP0423618.0 [1,1,0,0,0,0|0,0,2]=4 156 B14R1.81 COC1=CC=CC(=C1O)C=CC(=O)C CNP0581231.0 [1,1,0,0,0,0|1,0,0]=3 157 B14R1.81 COC1=CC=CC(=C1O)C=CC(=O)O CNP0156620.0 [1,1,0,0,0,0|0,0,0]=2 158 B14R1.468 CCOC1=CC=CC(=C1)C=CC(=O)O CNP0515265.0 [1,1,0,0,0,0|0,0,0]=2 159 B14R1.2335 COC1=CC=C(C(=C1)C=CC(=O)O)O CNP0318465.0 [1,1,0,0,0,0|0,0,0]=2 160 B14R1.6355 O=C(O)C=CC1=CC=CC(=C1)C(=O)O CNP0453452.0 [1,1,0,0,0,0|2,0,0]=4 161 B14R1.6355 O=C(O)C=CC1=CC=CC(=C1)[N+](=O)[O-] CNP0596211.0 [1,1,0,0,0,0|2,0,0]=4 162 B14R1.41 COC1=CC(=CC=C1O)C(=O)C(=O)C CNP0236000.0 [0,1,0,0,1,0|1,0,0]=3 163 B14R1.41 COC1=CC(=CC=C1O)C(=O)C(=O)N CNP0209538.0 [0,1,0,0,1,0|1,0,0]=3 164 B14R1.41 COC1=CC(=CC=C1O)C(=O)[C@@H](C)O CNP0103106.2 [0,1,0,0,1,0|1,0,1]=4 165 B14R1.41 COC1=CC(=CC=C1O)C(=O)[C@H](C)O CNP0103106.1 [0,1,0,0,1,0|1,0,1]=4 166 B14R1.41 COC1=CC(=CC=C1O)C(C)C(=O)O CNP0551476.0 [0,1,0,0,1,0|0,0,1]=3 167 B14R1.41 COC1=CC(=CC=C1O)[C@@H](O)C(=O)C CNP0150504.1 [0,1,0,0,1,0|1,0,1]=4 168 B14R1.41 COC1=CC(=CC=C1O)[C@@H](O)C(=O)O CNP0259735.2 [0,1,0,0,1,0|0,0,1]=3 169 B14R1.41 COC1=CC(=CC=C1O)[C@H](O)C(=O)O CNP0259735.1 [0,1,0,0,1,0|0,0,1]=3 170 B14R1.705 CC(=O)C1=CC(=CC=C1O)CC(=O)O CNP0075792.0 [0,1,0,0,1,0|1,0,1]=4 171 B14R1.3651 COC1=CC=C(C=C1OC)CC(=O)C CNP0169719.0 [0,1,0,0,1,0|1,0,1]=4 172 B14R1.3651 COC1=CC=C(C=C1OC)CC(=O)O CNP0212917.0 [0,1,0,0,1,0|0,0,1]=3 173 B16R1.4275 COC1=CC=C(C=C1OC)CNCC(=O)O CNP0397920.0 [0,1,0,0,0,1|0,0,2]=4 174 B16R1.4708 COC(=O)C=CCC1=CC=C(C(=C1)OC)O CNP0174985.0 [0,1,0,0,0,1|0,0,0]=2 175 B16R1.4709 COC1=CC(=CC=C1O)C(=O)NCC(=O)O CNP0320579.0 [0,1,0,0,0,1|0,0,1]=3 176 B16R1.4728 COC1=CC(=CC=C1O)C=CCS(=O)(=O)O CNP0458953.0 [0,1,0,0,0,1|1,0,0]=3 177 B16R1.404 COC1=C(C(=O)OC(=C1)C(=CC(=O)O)C)C CNP0224008.0 [0,2,0,0,0,0|2,0,0]=4 178 B16R1.405 COC1=C(C(=O)OC(=C1)C=C(C)C(=O)O)C CNP0158383.0 [0,2,0,0,0,0|2,0,0]=4 179 B16R1.407 COC(=O)C=CC1=CC(=C(C(=C1)OC)O)O CNP0264196.0 [0,2,0,0,0,0|0,0,0]=2 180 B16R1.423 COC1=CC(=CC(=C1O)OC)C=CC(=O)C CNP0333338.0 [0,2,0,0,0,0|1,0,0]=3 181 B16R1.423 COC1=CC(=CC(=C1O)OC)C=CC(=O)N CNP0297455.0 [0,2,0,0,0,0|1,0,0]=3 182 B16R1.423 COC1=CC(=CC(=C1O)OC)C=CC(=O)O CNP0195904.0 [0,2,0,0,0,0|0,0,0]=2 183 B16R1.423 COC1=CC(=CC(=C1O)OC)CCC(=O)O CNP0251351.0 [0,2,0,0,0,0|0,0,2]=4 184 B16R1.34541 COC1=C(C(=O)OC(=C1C)C=CC(=O)O)C CNP0139260.0 [0,2,0,0,0,0|2,0,0]=4 185 B16R1.20030 COC(=O)CCC1=CC(=C(C=C1O)O)OC CNP0133873.0 [0,2,0,0,0,0|0,0,2]=4 186 B16R1.20040 COC1=CC(=C(C=C1OC)CCC(=O)O)O CNP0444331.0 [0,2,0,0,0,0|0,0,2]=4 187 B16R1.4273 COC1=CC=C(C=C1OC)[C@@H](N)CC(=O)O CNP0373929.2 [0,2,0,0,0,0|0,0,2]=4 188 B16R1.4273 COC1=CC=C(C=C1OC)[C@H](N)CC(=O)O CNP0373929.1 [0,2,0,0,0,0|0,0,2]=4 189 B16R1.4727 COC(=O)C[C@@H](O)C1=CC=C(C(=C1)OC)O CNP0129029.1 [0,2,0,0,0,0|0,0,2]=4 190 B16R1.4274 COC1=CC=C(C=C1OC)C=C(S)C(=O)O CNP0549764.0 [0,2,0,0,0,0|0,0,0]=2 191 B16R1.4274 COC1=CC=C(C=C1OC)CC(=O)C(=O)O CNP0018846.0 [0,2,0,0,0,0|0,0,1]=3 192 B16R1.4274 COC1=CC=C(C=C1OC)C[C@H](N)C(=O)O CNP0150986.1 [0,2,0,0,0,0|0,0,2]=4 193 B16R1.4763 COC1=CC(=CC=C1O)CC(=NO)C(=O)O CNP0460736.0 [0,2,0,0,0,0|0,0,1]=3 194 B16R1.27683 COC1=CC(=CC=C1O)C[C@](C)(O)C(=O)O CNP0280009.1 [0,2,0,0,0,0|0,0,2]=4 195 B16R1.4276 COC(=O)C=CC1=CC=C(C(=C1)OC)OC CNP0218465.0 [0,2,0,0,0,0|0,0,0]=2 196 B16R1.4276 COC(=O)CCC1=CC=C(C(=C1)OC)OC CNP0324980.0 [0,2,0,0,0,0|0,0,2]=4 197 B16R1.4276 COC1=CC=C(C=C1OC)/C=C/[C@H](O)CO CNP0229573.1 [0,2,0,0,0,0|0,0,2]=4 198 B16R1.15083 CCOC(=O)C=CC1=CC=C(C(=C1)OC)O CNP0259003.0 [0,2,0,0,0,0|0,0,0]=2 199 B16R1.20127 COC1=CC=C(C(=C1OC)O)CCC(=O)O CNP0286960.0 [0,2,0,0,0,0|0,0,2]=4 200 B16R1.9381 CCOC1=CC=C(C=C1OC)C=CC(=O)O CNP0454993.0 [0,2,0,0,0,0|0,0,0]=2 201 B14R1.563 COC1=CC(=CC(=C1O)C(=O)O)C=O CNP0276705.0 [0,0,1,1,0,0|1,0,0]=3 202 B14R2.4513 O=C1C=CC2=CC=C(C(=C2O1)O)O CNP0205963.0 [1,0,0,1,0,0|0,0,0]=2 203 B14R2.8239 CC1=CC2=C(C=C1O)OC(=O)C=C2 CNP0356490.0 [1,0,0,1,0,0|0,0,0]=2 204 B14R2.8239 CC1=CC2=C(C=CC(=O)O2)C=C1O CNP0231681.0 [1,0,0,1,0,0|1,0,0]=3 205 B14R2.8239 O=C1C=C2OC(=CC=C2C=C1O)O CNP0009576.0 [1,0,0,1,0,0|0,0,2]=4 206 B14R2.8239 O=C1C=CC2=CC(=C(C=C2O1)O)Cl CNP0038705.0 [1,0,0,1,0,0|1,0,0]=3 207 B14R2.8239 O=C1C=CC2=CC(=C(C=C2O1)O)O CNP0386988.0 [1,0,0,1,0,0|0,0,0]=2 208 B14R2.8239 O=C1CCC2=CC(=C(C=C2O1)O)O CNP0106848.0 [1,0,0,1,0,0|0,0,2]=4 209 B14R2.991 CC=COC1=CC=C2OCOC2=C1 CNP0085699.0 [1,0,0,1,0,0|2,0,0]=4 210 B14R2.991 O=CC=CC1=CC=C2OCOC2=C1 CNP0233065.0 [1,0,0,1,0,0|0,0,0]=2 211 B14R2.991 OCC=CC1=CC=C2OCOC2=C1 CNP0320631.0 [1,0,0,1,0,0|0,0,1]=3 212 B14R2.1128 COC1=CC2=C(C=C1O)OC=CC2 CNP0132369.0 [1,0,0,1,0,0|0,0,1]=3 213 B14R2.1128 COC1=CC2=CC=CC=C2C=C1O CNP0565978.0 [1,0,0,1,0,0|1,0,0]=3 214 B14R2.1128 COC1=CC2=CC=NC=C2C=C1O CNP0040035.0 [1,0,0,1,0,0|2,0,0]=4 215 B14R2.3822 COC1=C(C=CC2=C1C(=O)OC2)O CNP0259149.0 [1,0,0,1,0,0|1,0,1]=4 216 B14R2.155 COC1=CC=C2C(=C1)C[C@@H]2C(=O)O CNP0440339.1 [1,0,0,1,0,0|0,0,2]=4 217 B14R2.155 COC1=CC=C2C(=C1)C[C@H]2C(=O)O CNP0440339.2 [1,0,0,1,0,0|0,0,2]=4 218 B14R2.2332 COC1=CC=C2N=C(C=CC2=C1)C CNP0021947.0 [1,0,0,1,0,0|2,0,0]=4 219 B14R2.2332 COC1=CC=C2OC(=O)C=CC2=C1 CNP0309169.0 [1,0,0,1,0,0|0,0,0]=2 220 B14R2.11684 COC1=CC=CC2=C1OC(=O)C=C2 CNP0331966.0 [1,0,0,1,0,0|0,0,0]=2 221 B14R2.11684 COC1=CC=CC2=CC=C(N=C12)C CNP0080173.0 [1,0,0,1,0,0|2,0,0]=4 222 B14R2.1008 O=C(O)CC1=CC=C2CCOC2=C1 CNP0447471.0 [0,0,0,1,1,0|1,0,1]=4 223 B14R2.1008 O=C(O)CC1=CC=C2OCCC2=C1 CNP0259252.0 [0,0,0,1,1,0|1,0,1]=4 224 B14R2.1008 O=C(O)CC1=CC=C2OCOC2=C1 CNP0369683.0 [0,0,0,1,1,0|0,0,1]=3 225 B16R2.27160 NC(=O)NN=CC1=CC=C2OCOC2=C1 CNP0056664.0 [0,0,0,1,0,1|2,0,0]=4 226 B16R2.36472 COC1=CC2=C(OC(=O)C=C2)C(=C1O)O CNP0295922.0 [0,1,0,1,0,0|0,0,0]=2 227 B16R2.36472 COC1=CC2=C(OC(=O)C=C2)C(=O)C1O CNP0541256.0 [0,1,0,1,0,0|0,0,1]=3 228 B16R2.70912 COC1=C(C(=CC2=C1OC(=O)C=C2)O)O CNP0236723.0 [0,1,0,1,0,0|0,0,0]=2 229 B16R2.477 O=C(O)C=CC1=CC=C2OCCOC2=C1 CNP0537512.0 [0,1,0,1,0,0|0,0,0]=2 230 B16R2.477 O=C(O)COC1=CC=C2OCCOC2=C1 CNP0371631.0 [0,1,0,1,0,0|1,0,1]=4 231 B16R2.6501 O=C1C=CC2=CC(=C(C=C2O1)O)CCO CNP0141954.0 [0,1,0,1,0,0|1,0,0]=3 232 B16R2.366387 O=C1C=CC2=CC=C(C(=C2O1)CCO)O CNP0309591.0 [0,1,0,1,0,0|1,0,0]=3 233 B16R2.12045 CC(=O)C1=C(C=CC2=C1OC(=O)C=C2)O CNP0079780.0 [0,1,0,1,0,0|1,0,0]=3 234 B16R2.12045 O=C(O)C1=C(C=CC2=C1OC(=O)C=C2)O CNP0417971.0 [0,1,0,1,0,0|2,0,0]=4 235 B16R2.23520 CC(=O)C1=CC2=C(C=C1O)OC(=O)C=C2 CNP0070122.0 [0,1,0,1,0,0|1,0,0]=3 236 B16R2.23520 O=C(O)C1=CC2=C(C=C1O)OC(=O)C=C2 CNP0467783.0 [0,1,0,1,0,0|2,0,0]=4 237 B16R2.11587 N[C@@H](CC(=O)O)C1=CC=C2OCOC2=C1 CNP0372915.1 [0,1,0,1,0,0|0,0,2]=4 238 B16R2.11587 N[C@H](CC(=O)O)C1=CC=C2OCOC2=C1 CNP0372915.2 [0,1,0,1,0,0|0,0,2]=4 239 B16R2.41208 CC1=CC(=O)OC2=CC(=C(C=C12)C=O)O CNP0245308.0 [0,1,0,1,0,0|2,0,0]=4 240 B16R2.41208 CCC1=CC2=C(C=C1O)OC(=O)C=C2C CNP0198875.0 [0,1,0,1,0,0|1,0,0]=3 241 B16R2.41208 COC1=CC2=C(C=C1Cl)OC(=O)C=C2C CNP0532373.0 [0,1,0,1,0,0|1,0,0]=3 242 B16R2.6257 N[C@@H](CC1=CC=C2OCOC2=C1)C(=O)O CNP0242743.1 [0,1,0,1,0,0|0,0,2]=4 243 B16R2.1357 COC(=O)C=CC1=CC=C2OC=CC2=C1 CNP0244083.0 [0,1,0,1,0,0|1,0,1]=4 244 B16R2.1357 COC(=O)C=CC1=CC=C2OCOC2=C1 CNP0236067.0 [0,1,0,1,0,0|0,0,0]=2 245 B16R2.1679 COC1=CC2=C(C=C1O)C(=O)N(C=C2)C CNP0222064.0 [0,1,0,1,0,0|2,0,0]=4 246 B16R2.8632 COC1=C(C=C2OC(=O)C=CC2=C1O)O CNP0135285.0 [0,1,0,1,0,0|0,0,0]=2 247 B16R2.1461 COC1=CC2=C(C=C1OC)CC(=O)C=C2 CNP0535989.0 [0,1,0,1,0,0|1,0,0]=3 248 B16R2.1461 COC1=CC2=C(C=C1OC)OC(=O)C=C2 CNP0286100.0 [0,1,0,1,0,0|0,0,0]=2 249 B16R2.1461 COC1=CC2=C(C=C1OC)OC(=O)CC2 CNP0301010.0 [0,1,0,1,0,0|0,0,2]=4 250 B16R2.1461 COC1=CC2=C(C=CC(=O)O2)C=C1C=O CNP0163510.0 [0,1,0,1,0,0|2,0,0]=4 251 B16R2.1461 COC1=CC2=C(C=CC(=O)O2)C=C1CO CNP0186764.0 [0,1,0,1,0,0|2,0,0]=4 252 B16R2.1461 COC1=C[C@@H]2C=CC(=O)O[C@H]2C=C1OC CNP0320740.1 [0,1,0,1,0,0|0,0,2]=4 253 B16R2.1461 COC1=C[C@H]2C=CC(=O)O[C@H]2C=C1OC CNP0320740.2 [0,1,0,1,0,0|0,0,2]=4 254 B16R2.7475 COC1=CC=C2C=CC(=O)OC2=C1C=O CNP0322171.0 [0,1,0,1,0,0|2,0,0]=4 255 B16R2.7475 COC1=CC=C2C=CC(=O)OC2=C1CO CNP0110564.0 [0,1,0,1,0,0|2,0,0]=4 256 B16R2.7475 COC1=CC=C2C=CC(=O)OC2=C1OC CNP0290927.0 [0,1,0,1,0,0|0,0,0]=2 257 B16R2.36419 COC1=CC2=C(C=C1OC)[C@@H](C2)C(=O)O CNP0449664.2 [0,1,0,1,0,0|0,0,2]=4 258 B16R2.36419 COC1=CC2=C(C=C1OC)[C@H](C2)C(=O)O CNP0449664.1 [0,1,0,1,0,0|0,0,2]=4 259 B16R3.10840 O=C1C=CC2=CC3=C(C=C2O1)OC=C3 CNP0328096.0 [0,0,0,2,0,0|1,0,1]=4 260 B16R3.10840 O=C1C=CC2=CC3=C(C=C2O1)OCC3 CNP0256160.0 [0,0,0,2,0,0|1,0,0]=3 261 B16R3.10840 O=C1C=CC2=CC3=C(C=C2O1)OCO3 CNP0318225.0 [0,0,0,2,0,0|0,0,0]=2 262 B16R3.11020 O=C1C=CC2=CC=C3C=COC3=C2O1 CNP0296449.0 [0,0,0,2,0,0|1,0,1]=4 263 B16R3.11020 O=C1C=CC2=CC=C3OC=CC3=C2O1 CNP0192500.0 [0,0,0,2,0,0|1,0,1]=4 264 B16R3.11020 O=C1C=CC2=CC=C3OCCC3=C2O1 CNP0328661.0 [0,0,0,2,0,0|1,0,0]=3 265 B16R3.11020 O=C1C=CC2=CC=C3OCOC3=C2O1 CNP0384264.0 [0,0,0,2,0,0|0,0,0]=2 266 B16R3.11020 O=C1CCC2=CC=C3OCOC3=C2O1 CNP0311921.0 [0,0,0,2,0,0|0,0,2]=4 267 B16R3.214787 O=C(O)[C@@H]1CC2=CC3=C(C=C12)OCO3 CNP0461408.2 [0,0,0,2,0,0|0,0,2]=4 268 B16R3.214787 O=C(O)[C@H]1CC2=CC3=C(C=C12)OCO3 CNP0461408.1 [0,0,0,2,0,0|0,0,2]=4 269 B12R1.19 CC(=O)CC1=CC=C(C(=C1)O)O CNP0097636.0 [1,0,0,0,1,0|1,0,1]=4 270 B12R1.19 CC(=O)OC1=CC=C(C(=C1)C)O CNP0297817.0 [1,0,0,0,1,0|2,0,0]=4 271 B12R1.19 CC(=O)OC1=CC=C(C(=C1)O)O CNP0238472.0 [1,0,0,0,1,0|2,0,0]=4 272 B12R1.19 CC1=CC(=CC=C1O)CC(=O)O CNP0116223.0 [1,0,0,0,1,0|0,0,1]=3 273 B12R1.19 CC1=CC=C(C=C1C)CC(=O)O CNP0579791.0 [1,0,0,0,1,0|1,0,1]=4 274 B12R1.19 NC(=O)CC1=CC=C(C(=C1)O)O CNP0087042.0 [1,0,0,0,1,0|1,0,1]=4 275 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CNP0127310.0 [1,0,0,0,1,0|1,0,1]=4 276 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Cl)O CNP0326831.0 [1,0,0,0,1,0|1,0,1]=4 277 B12R1.19 O=C(O)CC1=CC=C(C(=C1)O)O CNP0276169.0 [1,0,0,0,1,0|0,0,1]=3 278 B12R1.438 COC1=CC=CC(=C1)CC(=O)O CNP0272560.0 [1,0,0,0,1,0|0,0,1]=3 279 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)O CNP0208361.0 [0,0,0,0,2,0|2,0,0]=4 280 B12R1.56 CCC1=CC(=CC=C1O)C(=O)O CNP0121187.0 [0,0,0,0,2,0|1,0,0]=3 281 B12R1.56 COC1=CC(=CC=C1C)C(=O)C CNP0017950.0 [0,0,0,0,2,0|2,0,0]=4 282 B12R1.56 COC1=CC(=CC=C1C)C(=O)O CNP0497367.0 [0,0,0,0,2,0|1,0,0]=3 283 B12R1.56 COC1=CC(=CC=C1N)C(=O)O CNP0018066.0 [0,0,0,0,2,0|1,0,0]=3 284 B12R1.56 COC1=CC(=CC=C1O)C(=O)C CNP0219031.0 [0,0,0,0,2,0|1,0,0]=3 285 B12R1.56 COC1=CC(=CC=C1O)C(=O)N CNP0200127.0 [0,0,0,0,2,0|1,0,0]=3 286 B12R1.56 COC1=CC(=CC=C1O)C(=O)O CNP0122021.0 [0,0,0,0,2,0|0,0,0]=2 287 B12R1.56 COC1=CC(=CC=C1O)C(=O)[O-] CNP0564199.0 [0,0,0,0,2,0|0,0,1]=3 288 B12R1.56 COC1=CC(=CC=C1O)C(C)O CNP0582143.0 [0,0,0,0,2,0|1,0,1]=4 289 B12R1.56 COC1=CC(=CC=C1[O-])C(=O)O CNP0511962.0 [0,0,0,0,2,0|0,0,1]=3 290 B12R1.56 O=NC1=CC(=CC=C1O)C(=O)O CNP0511255.0 [0,0,0,0,2,0|2,0,0]=4 291 B14R1.118 O=C(O)C=CC1=CC=CC(=C1CO)O CNP0491028.0 [0,0,0,0,1,1|2,0,0]=4 292 B14R1.1600 COC1=CC(=CC=C1CCC(=O)O)O CNP0477229.0 [0,0,0,0,1,1|0,0,2]=4 293 B16R1.4707 COC1=CC(=CC=C1O)C=CCOC(=O)C CNP0397189.0 [0,0,0,0,0,2|1,0,0]=3