0 B10R1.119 CC1=C(C(=O)C(=CO1)C)O CNP0126465.0 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.119 CC1=C(C(=O)C(=CO1)O)O CNP0249032.0 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.119 CC1=C(C(=O)C=CC1=O)C CNP0252044.0 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.119 CC1=C(C(=O)C=CC1=O)O CNP0304817.0 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.119 CC1=C(C(=O)C=CN1C)O CNP0409474.0 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.119 CC1=C(C=CC(=C1C)O)N CNP0562106.0 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.119 CC1=C(C=CC(=C1C)O)O CNP0119775.0 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.119 CC1=C(C=CC(=C1O)O)O CNP0354287.0 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.119 CC1=CC=C(C(=C1C)C)C CNP0376974.0 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.119 CC1=CC=C(C(=C1C)O)C CNP0224100.0 [0,0,0,0,0,0|0,0,0]=0 10 B10R1.119 CC1=CC=C(C(=C1C)O)O CNP0352924.0 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.119 CC1=CC=C(C(=C1Cl)C)S CNP0345116.0 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.119 CC1=CC=C(C(=C1O)C)O CNP0142427.0 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.119 CC1=CC=C(C(=C1O)O)C CNP0183636.0 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.119 CC1=CN=C(C(=C1C)C)C CNP0265742.0 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.119 CC1=CN=C(N(C1=O)C)O CNP0559149.0 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.119 CN1C=CC(=O)N(C1=O)C CNP0168374.0 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.119 ClC1=CC=C(C(=C1Cl)Cl)Cl CNP0445745.0 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.119 NC1=CC=C(C(=C1Br)N)Br CNP0090854.0 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.119 O=C1C=CC(=O)C(=C1O)O CNP0263917.0 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.119 OC1=C(C=CC(=C1O)Cl)Cl CNP0043594.0 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.119 OC1=CC=C(C(=C1Br)Br)Br CNP0133044.0 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.119 OC1=CC=C(C(=C1Br)O)Br CNP0192123.0 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.119 OC1=CC=C(C(=C1O)O)O CNP0189021.0 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.3 C=C1C=CC=C([C@@H]1N)C CNP0587426.1 [1,0,0,0,0,0|1,0,2]=4 25 B9R1.3 C=C1C=COC(=C1O)C CNP0335368.0 [1,0,0,0,0,0|1,0,1]=3 26 B9R1.3 CC1=C(C(=O)C=CN1)O CNP0416033.0 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.3 CC1=C(C(=O)C=CO1)O CNP0287207.0 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.3 CC1=C(C(=O)C=CO1)[O-] CNP0589150.0 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.3 CC1=C(C=CC=C1Br)O CNP0597127.0 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.3 CC1=C(C=CC=C1Cl)N CNP0102945.0 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.3 CC1=C(C=CC=C1N)N CNP0199822.0 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.3 CC1=C(C=CC=C1O)O CNP0572969.0 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.3 CC1=C(C=COC1=O)O CNP0206261.0 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.3 CC1=C(OC=CC1=O)O CNP0163753.0 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.3 CC1=CC=CC(=C1C)C CNP0219925.0 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.3 CC1=CC=CC(=C1C)N CNP0330285.0 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.3 CC1=CC=CC(=C1C)O CNP0282533.0 [1,0,0,0,0,0|0,0,0]=1 38 B9R1.3 CC1=CC=CC(=C1N)C CNP0261599.0 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.3 CC1=CC=CC(=C1N)O CNP0350085.0 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.3 CC1=CC=CC(=C1O)C CNP0332594.0 [1,0,0,0,0,0|0,0,0]=1 41 B9R1.3 CC1=CC=CC(=C1O)O CNP0143209.0 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.3 CC1=CC=CC(=C1S)C CNP0032129.0 [1,0,0,0,0,0|0,1,0]=2 43 B9R1.3 CC1=CC=CC(=O)C1=O CNP0588286.0 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.3 CC1=CC=NC(=C1C)C CNP0326800.0 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.3 CC1=CN=CC(=C1C)C CNP0297347.0 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.3 CN1C(=NC=CC1=O)O CNP0557631.0 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.3 NC1=C(C=CC=C1Cl)Cl CNP0029750.0 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.3 NC1=CC=CC(=C1Cl)Cl CNP0079961.0 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.3 O=C1C(=COC=C1O)O CNP0150760.0 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.3 O=C1C=CC=C(C1=O)O CNP0358701.0 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.3 OC1=C(C=CC=C1Br)Br CNP0310547.0 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.3 OC1=C(C=CC=C1Cl)Cl CNP0231789.0 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.3 OC1=CC=CC(=C1Br)Br CNP0592928.0 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.3 OC1=CC=CC(=C1Cl)Cl CNP0060336.0 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.3 OC1=CC=CC(=C1O)O CNP0308187.0 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.69 CC1=CC(=CC=C1Br)Cl CNP0064949.0 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.69 CC1=CC(=CC=C1Br)N CNP0054285.0 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.69 CC1=CC(=CC=C1Br)O CNP0025703.0 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.69 CC1=CC(=CC=C1Cl)Br CNP0266846.0 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.69 CC1=CC(=CC=C1Cl)N CNP0024502.0 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.69 CC1=CC(=CC=C1Cl)O CNP0329015.0 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.69 CC1=CC(=CC=C1N)Br CNP0038450.0 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.69 CC1=CC(=CC=C1N)Cl CNP0245359.0 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.69 CC1=CC(=O)C(=CO1)O CNP0142931.0 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.69 CC1=CC=C(C(=C1)Br)Br CNP0060402.0 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.69 CC1=CC=C(C(=C1)Br)N CNP0031609.0 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [1,0,0,0,0,0|0,0,0]=1 72 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [1,0,0,0,0,0|1,0,0]=2 73 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [1,0,0,0,0,0|1,0,0]=2 74 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [1,0,0,0,0,0|1,0,0]=2 75 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [1,0,0,0,0,0|1,0,0]=2 76 B9R1.69 CC1=CC=C(C(=C1)Cl)Cl CNP0253916.0 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.69 CC1=CC=C(C(=C1)Cl)N CNP0363714.0 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.69 CC1=CC=C(C(=C1)N)Br CNP0057363.0 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [1,0,0,0,0,0|1,0,0]=2 81 B9R1.69 CC1=CC=C(C(=C1)N)Cl CNP0495286.0 [1,0,0,0,0,0|2,0,0]=3 82 B9R1.69 CC1=CC=C(C(=C1)N)N CNP0080098.0 [1,0,0,0,0,0|2,0,0]=3 83 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.69 CC1=CC=C(C(=C1)N)S CNP0463153.0 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [1,0,0,0,0,0|0,0,0]=1 86 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [1,0,0,0,0,0|1,0,0]=2 87 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [1,0,0,0,0,0|1,0,0]=2 88 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.69 CC1=CC=C(C(=N1)Cl)N CNP0043466.0 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.69 CC1=CC=C(C=C1Br)Cl CNP0186814.0 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [1,0,0,0,0,0|1,0,0]=2 92 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [1,0,0,0,0,0|1,0,0]=2 93 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [1,0,0,0,0,0|1,0,0]=2 94 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [1,0,0,0,0,0|1,0,0]=2 95 B9R1.69 CC1=CC=C(C=C1Cl)N CNP0028854.0 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.69 CC1=CC=C(C=C1N)N CNP0023048.0 [1,0,0,0,0,0|2,0,0]=3 97 B9R1.69 CC1=CC=C(C=C1O)O CNP0256040.0 [1,0,0,0,0,0|1,0,0]=2 98 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [1,0,0,0,0,0|1,0,0]=2 99 B9R1.69 CC1=CN=C(C(=C1)Cl)Br CNP0177235.0 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.69 CC1=CN=C(C(=N1)C)C CNP0313440.0 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.69 CC1=CN=C(C(=O)N1)C CNP0598520.0 [1,0,0,0,0,0|2,0,1]=4 102 B9R1.69 CC1=CN=C(N=C1O)O CNP0517257.0 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.69 CC1=CN=[11C](N=C1O)O CNP0546373.0 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.69 CC1=CNC(=O)C=C1O CNP0017901.0 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.69 CC1=C[N+](=C(C=N1)C)[O-] CNP0514079.0 [1,0,0,0,0,0|2,0,1]=4 106 B9R1.69 CC1=NC=C(C(=N1)N)C CNP0518359.0 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.69 C[N+]1=CC(=CC=C1N)I CNP0606794.0 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.69 ClC1=CC=C(C(=C1)Cl)Cl CNP0206286.0 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.69 N=C1C=CC(=O)C(=C1)O CNP0274436.0 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.69 NC1=CC(=CC=C1Cl)Cl CNP0040093.0 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.69 NC1=CC(=CC=C1O)O CNP0176630.0 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.69 NC1=CC(=CC=C1S)Cl CNP0458275.0 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.69 NC1=CC=C(C(=C1)N)N CNP0131312.0 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.69 NC1=CC=C(C(=C1)N)O CNP0003471.0 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.69 NC1=CC=C(C=C1Br)Br CNP0063783.0 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.69 NC1=CC=C(C=C1Cl)Cl CNP0048955.0 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.69 O=C1C=C(C(=CN1)Cl)O CNP0569686.0 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.69 O=C1C=CC(=O)C(=C1)O CNP0230039.0 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.69 OC1=CC(=CC=C1Cl)Cl CNP0236901.0 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.69 OC1=CC=C(C(=C1)Br)O CNP0161760.0 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.69 OC1=CC=C(C(=C1)Cl)Cl CNP0386646.0 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.69 OC1=CC=C(C(=C1)Cl)O CNP0331365.0 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.69 OC1=CC=C(C(=C1)O)O CNP0187325.0 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.69 OC1=CC=C(C=C1Br)Br CNP0216116.0 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.69 OC1=CC=C(C=C1Cl)Cl CNP0401033.0 [1,0,0,0,0,0|3,0,0]=4 126 B11R1.32 CC1=C(C(=C(C(=O)O1)C)O)C CNP0208216.0 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.32 CC1=C(C(=CC(=C1Cl)O)O)Cl CNP0430106.0 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.32 CC1=C(C(=O)C(=CC1=O)O)O CNP0111158.0 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.32 CC1=C(C(=O)C=C(C1=O)O)O CNP0221051.0 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.32 CC1=C(C=C(C(=C1O)C)O)O CNP0149570.0 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.32 CC1=CC(=C(C(=C1C)Br)C)C CNP0228587.0 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.32 CC1=CC(=C(C(=C1C)C)Br)C CNP0094730.0 [0,1,0,0,0,0|1,0,0]=2 133 B11R1.32 CC1=CC(=C(C(=C1C)C)C)Br CNP0068892.0 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.32 CC1=CC(=C(C(=C1C)C)O)C CNP0205719.0 [0,1,0,0,0,0|0,0,0]=1 135 B11R1.32 CC1=CC(=C(C(=C1C)C)O)O CNP0288515.0 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.32 CC1=CC(=C(C(=C1C)I)C)C CNP0069313.0 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.32 CC1=CC(=C(C(=C1C)O)C)C CNP0212055.0 [0,1,0,0,0,0|0,0,0]=1 138 B11R1.32 CC1=CC(=C(C(=C1C)O)C)O CNP0324335.0 [0,1,0,0,0,0|0,0,0]=1 139 B11R1.32 CC1=CC(=C(C(=C1I)C)I)C CNP0030832.0 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.32 CC1=CC(=C(C(=C1N)C)N)C CNP0600092.0 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.32 CC1=CC(=C(C(=C1O)C)C)O CNP0086369.0 [0,1,0,0,0,0|0,0,0]=1 142 B11R1.32 CC1=CC(=C(C(=C1O)O)O)O CNP0166636.0 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.32 CC1=CC(=O)C(=C(C1=O)C)C CNP0313155.0 [0,1,0,0,0,0|0,0,1]=2 144 B11R1.32 CC1=CC(=O)C(=C(C1=O)O)C CNP0231654.0 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.32 CC1=CC(=O)C(=C(C1=O)O)O CNP0207805.0 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.32 CC1=CC(=O)N(C(=O)N1C)C CNP0301894.0 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.32 OC1=CC(=C(C(=C1Br)Br)O)Br CNP0046080.0 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.32 OC1=CC(=C(C(=C1Br)O)Br)O CNP0236193.0 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.32 OC1=CC(=C(C(=C1Cl)Cl)O)Cl CNP0083797.0 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.32 OC1=CC(=C(C(=C1Cl)O)Br)O CNP0178904.0 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.32 OC1=CC(=C(C(=C1O)O)Br)O CNP0437743.0 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.72 C=CC1=C(C=CC(=C1C)O)O CNP0119904.0 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.72 CC1=C(C(=O)N(C=C1)C)C#N CNP0010415.0 [0,1,0,0,0,0|1,0,2]=4 154 B11R1.72 CC1=CC=C(C(=C1C#N)C)Br CNP0263714.0 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.72 CC1=CC=C(C(=C1C)C=O)C CNP0300217.0 [0,1,0,0,0,0|0,0,1]=2 156 B11R1.72 CCC1=C(C(=O)C=CC1=O)C CNP0115905.0 [0,1,0,0,0,0|3,0,0]=4 157 B11R1.72 CCC1=C(C=CC(=C1C)O)O CNP0216521.0 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.72 COC1=C(C(=O)C=CC1=O)C CNP0331227.0 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.72 COC1=C(C=CC(=C1C)C)C CNP0076001.0 [0,1,0,0,0,0|0,0,0]=1 160 B11R1.72 COC1=C(C=CC(=C1C)O)O CNP0104161.0 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.72 O=CC1=C(C=CC(=C1O)O)O CNP0278067.0 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.278 CC1=C(C(=NO)C=CC1=O)C CNP0222665.0 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.278 CC1=C(C=CC(=C1O)N=O)O CNP0064746.0 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.278 CC1=C(C=CC(=C1O)O)C=O CNP0202109.0 [0,1,0,0,0,0|1,0,1]=3 165 B11R1.278 CC1=CC=C(C(=C1C)C)C=O CNP0307883.0 [0,1,0,0,0,0|1,0,1]=3 166 B11R1.278 CC1=NC=C(C(=C1O)C)CO CNP0346238.0 [0,1,0,0,0,0|1,0,0]=2 167 B11R1.278 CCC1=CC=C(C(=C1O)C)C CNP0328437.0 [0,1,0,0,0,0|0,0,0]=1 168 B11R1.278 COC1=C(N(C(=O)C=C1)O)C CNP0329943.0 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.278 COC1=C(N(C(=O)C=C1)[O-])C CNP0494378.0 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.278 COC1=CC=C(C(=C1Br)C)Cl CNP0611848.0 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.278 COC1=CC=C(C(=C1C)C)Br CNP0059488.0 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.278 COC1=CC=C(C(=O)C1=O)C CNP0534932.0 [0,1,0,0,0,0|1,0,1]=3 173 B11R1.278 O=C1C(=COC(=C1O)CO)O CNP0142148.0 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.278 O=CC1=CC=C(C(=C1O)O)O CNP0080275.0 [0,1,0,0,0,0|2,0,1]=4 175 B9R0.8 CC=CC=C(C)C(=CC)C CNP0284746.0 [0,0,1,0,0,0|1,0,0]=2 176 B9R0.24 CC=C(C)SSC(=CC)C CNP0569014.0 [0,0,1,0,0,0|3,0,0]=4 177 B9R1.37 C=C1CC(=C(C1=O)C)C CNP0259066.0 [0,0,0,0,1,0|0,0,3]=4 178 B9R1.37 C=C1OC(=C(C1=O)O)C CNP0458882.0 [0,0,0,0,1,0|2,0,1]=4 179 B9R1.37 CC1=C(C(=C(N1)C)C)C CNP0159162.0 [0,0,0,0,1,0|2,0,0]=3 180 B9R1.37 CC1=C(C(=O)C[C@H]1C)O CNP0318056.1 [0,0,0,0,1,0|1,0,2]=4 181 B9R1.37 CC1=C(C(=O)O[C@@H]1C)O CNP0413738.1 [0,0,0,0,1,0|2,0,1]=4 182 B9R1.37 CC1=C(C(=O)O[C@H]1C)O CNP0413738.2 [0,0,0,0,1,0|2,0,1]=4 183 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)C CNP0135578.1 [0,0,0,0,1,0|0,0,3]=4 184 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)O CNP0306768.1 [0,0,0,0,1,0|1,0,2]=4 185 B9R1.37 CC1=C(C(=O)[C@@H](O1)C)O CNP0310181.1 [0,0,0,0,1,0|2,0,1]=4 186 B9R1.37 CC1=C(C(=O)[C@H](O1)C)O CNP0310181.2 [0,0,0,0,1,0|2,0,1]=4 187 B9R1.37 CC1=C(C(C(=O)O1)O)C CNP0600080.0 [0,0,0,0,1,0|2,0,1]=4 188 B9R1.37 CC1=CC(=O)N(C1=O)C CNP0017910.0 [0,0,0,0,1,0|2,0,1]=4 189 B11R1.494 CC1=CC(=C(C(=O)C=C1)O)O CNP0455660.0 [0,0,0,0,0,1|2,0,0]=3 190 B11R1.494 CC1=CC=C(C(=O)C(=C1)Cl)Cl CNP0364082.0 [0,0,0,0,0,1|2,0,1]=4 191 B11R1.499 CC1=CC=CC(=O)C(=C1O)O CNP0441519.0 [0,0,0,0,0,1|2,0,0]=3 192 B11R1.499 O=C1C(=CC=CC(=C1O)O)O CNP0509109.0 [0,0,0,0,0,1|3,0,0]=4 193 B11R1.499 O=C1C=CC=C(C(=C1O)O)O CNP0343359.0 [0,0,0,0,0,1|3,0,0]=4 194 B11R1.655 CC1=C(C=C(C(=O)C=C1)O)C CNP0472107.0 [0,0,0,0,0,1|1,0,0]=2 195 B8R0.6 CC(=CC=CC=O)CO CNP0246608.0 [1,0,1,0,0,0|1,0,1]=4 196 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [1,0,1,0,0,0|1,0,1]=4 197 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [1,0,1,0,0,0|1,0,0]=3 198 B8R0.2 C=C(C)C(=C(Cl)CC)C CNP0076708.0 [1,0,1,0,0,0|1,0,1]=4 199 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [1,0,1,0,0,0|1,0,0]=3 200 B8R0.19 CC=C(C)C=C(C)CO CNP0307713.0 [1,0,1,0,0,0|1,0,1]=4 201 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [2,0,0,0,0,0|1,0,0]=3 202 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [2,0,0,0,0,0|1,0,1]=4 203 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [2,0,0,0,0,0|1,0,1]=4 204 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [2,0,0,0,0,0|1,0,0]=3 205 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [2,0,0,0,0,0|0,0,0]=2 206 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [2,0,0,0,0,0|1,0,0]=3 207 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [2,0,0,0,0,0|1,0,0]=3 208 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [2,0,0,0,0,0|0,0,0]=2 209 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [2,0,0,0,0,0|2,0,0]=4 210 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [2,0,0,0,0,0|1,0,0]=3 211 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [2,0,0,0,0,0|2,0,0]=4 212 B8R1.4 CC1=CC=C[N+](=C1)[O-] CNP0579325.0 [2,0,0,0,0,0|1,0,1]=4 213 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [2,0,0,0,0,0|1,0,0]=3 214 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [2,0,0,0,0,0|2,0,0]=4 215 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [2,0,0,0,0,0|2,0,0]=4 216 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [2,0,0,0,0,0|0,0,2]=4 217 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [2,0,0,0,0,0|1,0,0]=3 218 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [2,0,0,0,0,0|1,0,0]=3 219 B8R1.4 CC1=CN=CC(=N1)C CNP0296461.0 [2,0,0,0,0,0|2,0,0]=4 220 B8R1.4 ClC1=CC=CC(=C1)Cl CNP0080171.0 [2,0,0,0,0,0|2,0,0]=4 221 B8R1.4 NC1=CC=CC(=C1)Cl CNP0066965.0 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.4 NC1=CC=CC(=C1)N CNP0033147.0 [2,0,0,0,0,0|2,0,0]=4 223 B8R1.4 NC1=CC=CC(=C1)O CNP0172517.0 [2,0,0,0,0,0|1,0,0]=3 224 B8R1.4 OC1=CC=CC(=C1)Cl CNP0109649.0 [2,0,0,0,0,0|1,0,0]=3 225 B8R1.4 OC1=CC=CC(=C1)O CNP0414137.0 [2,0,0,0,0,0|1,0,0]=3 226 B8R1.4 [O-]C1=CC=CC(=C1)[O-] CNP0552554.0 [2,0,0,0,0,0|1,0,1]=4 227 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [2,0,0,0,0,0|0,0,2]=4 228 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [2,0,0,0,0,0|0,0,2]=4 229 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [2,0,0,0,0,0|1,0,0]=3 230 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [2,0,0,0,0,0|0,0,0]=2 231 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [2,0,0,0,0,0|1,0,0]=3 232 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [2,0,0,0,0,0|1,0,0]=3 233 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [2,0,0,0,0,0|0,0,0]=2 234 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [2,0,0,0,0,0|0,1,0]=3 235 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [2,0,0,0,0,0|1,0,0]=3 236 B8R1.5 CC1=CC=CC=[N+]1[O-] CNP0511667.0 [2,0,0,0,0,0|1,0,1]=4 237 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [2,0,0,0,0,0|1,0,0]=3 238 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [2,0,0,0,0,0|2,0,0]=4 239 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [2,0,0,0,0,0|2,0,0]=4 240 B8R1.5 CC1=CC=NC=C1C CNP0275303.0 [2,0,0,0,0,0|1,0,0]=3 241 B8R1.5 CC1=CC=NC=C1N CNP0236716.0 [2,0,0,0,0,0|2,0,0]=4 242 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [2,0,0,0,0,0|1,0,0]=3 243 B8R1.5 CC1=NC=CN=C1C CNP0119963.0 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.5 ClC1=CC=CC=C1Cl CNP0284887.0 [2,0,0,0,0,0|2,0,0]=4 245 B8R1.5 NC1=CC=CC=C1Br CNP0295031.0 [2,0,0,0,0,0|2,0,0]=4 246 B8R1.5 NC1=CC=CC=C1N CNP0232275.0 [2,0,0,0,0,0|2,0,0]=4 247 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [2,0,0,0,0,0|1,0,0]=3 248 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [2,0,0,0,0,0|1,1,0]=4 249 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [2,0,0,0,0,0|1,0,1]=4 250 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [2,0,0,0,0,0|1,0,1]=4 251 B8R1.5 O=C1C=CNC=C1O CNP0258387.0 [2,0,0,0,0,0|2,0,0]=4 252 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [2,0,0,0,0,0|2,0,0]=4 253 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [2,0,0,0,0,0|2,0,0]=4 254 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [2,0,0,0,0,0|2,0,0]=4 255 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [2,0,0,0,0,0|1,0,0]=3 256 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [2,0,0,0,0,0|1,0,0]=3 257 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [2,0,0,0,0,0|1,0,0]=3 258 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [2,0,0,0,0,0|2,0,0]=4 259 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.5 ON1C=CC=CC1=S CNP0586487.0 [2,0,0,0,0,0|2,0,0]=4 262 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [2,0,0,0,0,0|1,0,0]=3 263 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [2,0,0,0,0,0|0,0,1]=3 264 B8R1.3 BrC1=CC=C(C=C1)Br CNP0468033.0 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [2,0,0,0,0,0|1,0,1]=4 266 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [2,0,0,0,0,0|1,0,0]=3 267 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [2,0,0,0,0,0|0,0,0]=2 268 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [2,0,0,0,0,0|1,0,0]=3 269 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [2,0,0,0,0,0|1,0,0]=3 270 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [2,0,0,0,0,0|1,0,0]=3 271 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [2,0,0,0,0,0|1,0,0]=3 272 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [2,0,0,0,0,0|1,0,0]=3 275 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.3 CC1=CN=C(C=N1)C CNP0257272.0 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.3 CN1C=CC(=N)C=C1 CNP0407521.0 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.3 ClC1=CC=C(C=C1)Cl CNP0341270.0 [2,0,0,0,0,0|2,0,0]=4 282 B8R1.3 NC1=CC=C(C=C1)Br CNP0044742.0 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.3 NC1=CC=C(C=C1)I CNP0290133.0 [2,0,0,0,0,0|2,0,0]=4 284 B8R1.3 NC1=CC=C(C=C1)N CNP0208924.0 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [2,0,0,0,0,0|2,0,0]=4 286 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [2,0,0,0,0,0|2,0,0]=4 290 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [2,0,0,0,0,0|2,0,0]=4 292 B10R1.2 C#[N+]C1=CC=CC(=C1O)N CNP0440267.0 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.2 CC1=CC=CC(=C1C)C#N CNP0139053.0 [1,1,0,0,0,0|1,0,0]=3 294 B10R1.2 CC1=CC=CC(=C1C)C=O CNP0501818.0 [1,1,0,0,0,0|0,0,1]=3 295 B10R1.2 CCC1=C(C(=O)C=CO1)O CNP0197022.0 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.2 CCC1=CC=CC(=C1C)C CNP0183405.0 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.2 CCC1=CC=CC(=C1O)C CNP0284386.0 [1,1,0,0,0,0|0,0,0]=2 298 B10R1.2 CCC1=CC=CC(=C1O)O CNP0002512.0 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.2 COC1=CC=CC(=C1C)C CNP0198695.0 [1,1,0,0,0,0|0,0,0]=2 300 B10R1.2 COC1=CC=CC(=C1N)C CNP0448107.0 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.2 COC1=CC=CC(=C1O)I CNP0386670.0 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.2 COC1=CC=CC(=C1O)O CNP0330888.0 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.2 COC1=CC=CC(=O)C1=O CNP0358042.0 [1,1,0,0,0,0|1,0,1]=4 304 B10R1.2 COC1=COC=C(C1=O)O CNP0275843.0 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.2 O=C1C=COC(=C1O)CO CNP0298786.0 [1,1,0,0,0,0|2,0,0]=4 306 B10R1.2 O=CC1=CC=CC(=C1O)O CNP0104242.0 [1,1,0,0,0,0|1,0,1]=4 307 B10R1.2 OCC1=CC=CC(=C1O)O CNP0210787.0 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.2 [2H]C1=CC=CC(=C1O)OC CNP0538068.0 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.22 CC1=C(C=C(C=C1Cl)S)Cl CNP0108382.0 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.22 CC1=C(C=C(C=C1O)O)O CNP0270802.0 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.22 CC1=CC(=C(C(=C1)Br)O)Br CNP0242146.0 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CNP0375454.0 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.22 CC1=CC(=C(C(=C1)C)N)C CNP0072418.0 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.22 CC1=CC(=C(C(=C1)C)O)C CNP0321032.0 [1,1,0,0,0,0|0,0,0]=2 315 B10R1.22 CC1=CC(=C(C(=C1)N)C)C CNP0027884.0 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.22 CC1=CC(=C(C(=C1)O)C)C CNP0281157.0 [1,1,0,0,0,0|0,0,0]=2 317 B10R1.22 CC1=CC(=C(C(=C1)O)C)O CNP0156178.0 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.22 CC1=CC(=C(C(=C1)O)Cl)O CNP0171455.0 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.22 CC1=CC(=C(C(=C1)O)O)C CNP0386654.0 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.22 CC1=CC(=C(C(=C1)O)O)O CNP0266425.0 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.22 CC1=CC(=C(C(=N1)C)C)C CNP0182494.0 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.22 CC1=CC(=C(C(=O)O1)C)O CNP0371588.0 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.22 CC1=CC(=CC(=C1C)C)N CNP0214882.0 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.22 CC1=CC(=CC(=C1C)C)O CNP0208232.0 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.22 CC1=CC(=CC(=C1C)O)O CNP0138651.0 [1,1,0,0,0,0|0,0,0]=2 326 B10R1.22 CC1=CC(=CC(=C1Cl)C)O CNP0229378.0 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.22 CC1=CC(=CC(=C1Cl)O)O CNP0283107.0 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.22 CC1=CC(=CC(=C1N)C)I CNP0086270.0 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.22 CC1=CC(=CC(=C1O)C)O CNP0107250.0 [1,1,0,0,0,0|0,0,0]=2 330 B10R1.22 CC1=CC(=CC(=C1O)O)O CNP0249116.0 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.22 CC1=CC(=CC(=[N+]1[O-])C)Cl CNP0584434.0 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.22 CC1=CC(=O)C=C(C1=O)C CNP0081563.0 [1,1,0,0,0,0|0,0,1]=3 333 B10R1.22 CC1=CC(=O)C=C(C1=O)O CNP0106705.0 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.22 CC1=CC(=[N+](C(=C1)C)[O-])C CNP0516353.0 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.22 NC1=CC(=C(C(=C1)O)O)N CNP0223457.0 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.22 NC1=CC(=O)C=C(C1=O)O CNP0072657.0 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.22 O=C1C=C(C(=O)C(=C1)O)O CNP0322998.0 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.22 OC1=C(C=C(C=C1Br)Br)Br CNP0415243.0 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.22 OC1=C(C=C(C=C1Br)Br)Cl CNP0017890.0 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.22 OC1=C(C=C(C=C1Br)Cl)Br CNP0371629.0 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.22 OC1=C(C=C(C=C1Br)Cl)Cl CNP0322036.0 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.22 OC1=C(C=C(C=C1Cl)I)Cl CNP0173173.0 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.22 OC1=CC(=C(C(=C1)Br)Br)O CNP0224842.0 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.22 OC1=CC(=C(C(=C1)Br)O)Br CNP0113606.0 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.22 OC1=CC(=C(C(=C1)Cl)O)Cl CNP0083796.0 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.22 OC1=CC(=C(C(=C1)I)O)I CNP0313558.0 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.22 OC1=CC(=C(C(=C1)O)Br)O CNP0173865.0 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.22 OC1=CC(=C(C(=C1)O)Cl)O CNP0254438.0 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.22 OC1=CC(=C(C(=C1)O)I)O CNP0053849.0 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.22 OC1=CC(=C(C(=C1)O)O)O CNP0134222.0 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.22 OC1=CC(=CC(=C1O)Br)Br CNP0081702.0 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.22 OC1=CC(=CC(=C1O)Cl)Cl CNP0598413.0 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.245 CC1=CC=CC(=C1C#N)C CNP0139271.0 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.245 CC1=CC=CC(=C1C=O)C CNP0561651.0 [1,1,0,0,0,0|0,0,1]=3 355 B10R1.245 CC1=CC=CC(=C1C=O)O CNP0298218.0 [1,1,0,0,0,0|0,0,1]=3 356 B10R1.245 CC1=CC=CC(=C1CO)O CNP0321165.0 [1,1,0,0,0,0|0,0,0]=2 357 B10R1.245 CCC1=C(C=CC=C1C)C CNP0182931.0 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.245 CNC1=C(C=CC=C1C)C CNP0282095.0 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.245 COC1=C(C=CC=C1Br)Br CNP0017925.0 [1,1,0,0,0,0|2,0,0]=4 360 B10R1.245 COC1=C(C=CC=C1C)C CNP0308029.0 [1,1,0,0,0,0|0,0,0]=2 361 B10R1.245 COC1=C(C=CC=C1Cl)Cl CNP0143389.0 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.245 COC1=C(C=CC=C1O)O CNP0193285.0 [1,1,0,0,0,0|1,0,0]=3 363 B10R1.245 COC1=C(NC=CC1=O)C CNP0226695.0 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.245 COC1=C(OC=CC1=O)C CNP0167853.0 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.301 CC1=CC=CC(C1=O)(C)C CNP0077154.0 [1,1,0,0,0,0|0,0,2]=4 366 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [1,1,0,0,0,0|0,0,1]=3 367 B10R1.25 C=CC1=CC=C(C=C1O)O CNP0155671.0 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.25 CC1=CC(=C(C=N1)C#N)C CNP0069171.0 [1,1,0,0,0,0|1,0,1]=4 369 B10R1.25 CC1=CC(=CC=C1N=O)N CNP0033954.0 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.25 CC1=CC(=O)C=CC1=NO CNP0220999.0 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.25 CC1=CC=C(C(=C1)C)C#N CNP0033930.0 [1,1,0,0,0,0|0,0,1]=3 372 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [1,1,0,0,0,0|0,0,1]=3 373 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [1,1,0,0,0,0|0,0,0]=2 374 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [1,1,0,0,0,0|0,0,0]=2 375 B10R1.25 CC1=CC=C(C(=C1)Cl)C#N CNP0353020.0 [1,1,0,0,0,0|1,0,1]=4 376 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [1,1,0,0,0,0|0,0,1]=3 377 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [1,1,0,0,0,0|0,0,0]=2 378 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [1,1,0,0,0,0|0,0,0]=2 379 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.25 CCC1=NC=C(N=C1C)C CNP0193103.0 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.25 COC1=CC=C(C=C1Br)Br CNP0018124.0 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [1,1,0,0,0,0|0,0,0]=2 383 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.25 COC1=CC=C(C=C1I)I CNP0051717.0 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.25 COC1=CC=C(C=C1N)C CNP0028982.0 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [1,1,0,0,0,0|0,0,0]=2 388 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.25 COC1=CC=[N+](C=C1C)[O-] CNP0606691.0 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.25 COC1=NC=C(N=C1C)C CNP0234083.0 [1,1,0,0,0,0|2,0,0]=4 391 B10R1.25 N#CC1=CC=C(C=C1O)O CNP0293189.0 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.25 O=CC1=CC=C(C=C1O)O CNP0382408.0 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.25 OCC1=CC=C(C=C1Cl)Cl CNP0569884.0 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.30 C=CC1=CC(=CC=C1C)C CNP0027363.0 [1,1,0,0,0,0|0,0,1]=3 395 B10R1.30 CC1=CC=C(C(=C1)C#N)C CNP0233289.0 [1,1,0,0,0,0|0,0,1]=3 396 B10R1.30 CC1=CC=C(C(=C1)C#N)Cl CNP0033668.0 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.30 CC1=CC=C(C(=C1)C=O)C CNP0076382.0 [1,1,0,0,0,0|0,0,1]=3 398 B10R1.30 CC1=CC=C(C(=C1)CO)C CNP0281493.0 [1,1,0,0,0,0|0,0,0]=2 399 B10R1.30 CC1=CC=[N+](C=C1CO)[O-] CNP0579255.0 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [1,1,0,0,0,0|0,0,0]=2 401 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [1,1,0,0,0,0|1,0,0]=3 403 B10R1.30 CCC1=CC(=CC=C1O)O CNP0246876.0 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.30 CCC1=CC(=O)C=CC1=O CNP0391524.0 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.30 CCC1=NC(=CC=C1O)C CNP0422716.0 [1,1,0,0,0,0|2,0,0]=4 406 B10R1.30 CCC1=NC(=CN=C1C)C CNP0404153.0 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [1,1,0,0,0,0|0,0,0]=2 408 B10R1.30 COC1=CC(=CC=C1N)O CNP0304667.0 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.30 COC1=CC(=CC=C1O)C CNP0264266.0 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.30 COC1=CC(=CC=C1O)O CNP0204166.0 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.30 COC1=CC(=N)C=CC1=O CNP0141181.0 [1,1,0,0,0,0|2,0,0]=4 412 B10R1.30 COC1=CC(=O)C=CC1=O CNP0221542.0 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.30 COC1=NC(=CN=C1C)C CNP0001523.0 [1,1,0,0,0,0|2,0,0]=4 414 B10R1.30 CSC1=NC(=CN=C1C)C CNP0353191.0 [1,1,0,0,0,0|2,0,0]=4 415 B10R1.30 O=C1C=CC(=O)C(=C1)CO CNP0212904.0 [1,1,0,0,0,0|2,0,0]=4 416 B10R1.30 OCC1=CC(=CC=C1Cl)O CNP0112835.0 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.30 OCC1=CC(=CC=C1O)O CNP0290995.0 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.118 CC1=C(C=C(C(=C1)C)C)C CNP0218764.0 [1,1,0,0,0,0|0,0,0]=2 419 B10R1.118 CC1=C(N=C(C(=N1)C)C)C CNP0327107.0 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.118 CC1=CC(=C(C=C1Br)C)Br CNP0024349.0 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.118 CC1=CC(=C(C=C1C)N)N CNP0106845.0 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.118 CC1=CC(=C(C=C1C)O)C CNP0242109.0 [1,1,0,0,0,0|0,0,0]=2 423 B10R1.118 CC1=CC(=C(C=C1Cl)C)Cl CNP0062326.0 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.118 CC1=CC(=C(C=C1O)C)O CNP0533659.0 [1,1,0,0,0,0|0,0,0]=2 425 B10R1.118 CC1=CC(=C(N=C1C)C)C CNP0272756.0 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.118 CC1=CC(=O)C(=CC1=O)C CNP0221747.0 [1,1,0,0,0,0|0,0,1]=3 427 B10R1.118 CC1=CC(=O)C(=CC1=O)O CNP0288982.0 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.118 O=C1C=C(C(=O)C=C1O)O CNP0327645.0 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.118 OC1=C(C=C(C(=C1)O)O)O CNP0611719.0 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.118 OC1=CC(=C(C=C1Cl)O)Cl CNP0067457.0 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.118 OC1=CC(=C(C=C1O)Br)Br CNP0556999.0 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [1,1,0,0,0,0|0,0,1]=3 433 B10R1.176 C=CC1=CC=C(C(=C1)O)O CNP0218096.0 [1,1,0,0,0,0|1,0,1]=4 434 B10R1.176 CC1=CC(=CC=C1N)N=O CNP0042604.0 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.176 CC1=CC(=CC=C1O)C=O CNP0018890.0 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.176 CC1=CC(=NO)C=CC1=O CNP0254335.0 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.176 CC1=CC=C(C=C1C)C#N CNP0181583.0 [1,1,0,0,0,0|0,0,1]=3 438 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [1,1,0,0,0,0|0,0,0]=2 439 B10R1.176 CC1=NC=C(N=C1C)CO CNP0333058.0 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [1,1,0,0,0,0|0,0,0]=2 441 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [1,1,0,0,0,0|0,0,0]=2 443 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.176 CCC1=CC=C(C(=N1)C)C CNP0105764.0 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.176 CCC1=CN=C(C(=N1)C)C CNP0231860.0 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.176 COC1=CC=C(C(=C1)C)Br CNP0334567.0 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.176 COC1=CC=C(C(=C1)C)Cl CNP0187648.0 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.176 COC1=CC=C(C(=C1)C)O CNP0175131.0 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.176 COC1=CC=C(C(=C1)Cl)Cl CNP0369428.0 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.176 COC1=CC=C(C(=C1)N)O CNP0323578.0 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.176 N#CC1=CC=C(C(=C1)O)O CNP0155663.0 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.176 NCC1=CC=C(C(=C1)O)O CNP0353669.0 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.176 O=CC1=CC=C(C(=C1)O)O CNP0203672.0 [1,1,0,0,0,0|1,0,1]=4 455 B10R1.176 OCC1=CC=C(C(=C1)Br)O CNP0161139.0 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.176 OCC1=CC=C(C(=C1)O)O CNP0262481.0 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.34 CC=C1OC(=C(C1=O)O)C CNP0081746.0 [0,1,0,0,1,0|2,0,0]=4 458 B10R1.191 C=C1C(=C(C(=C1C)C)C)C CNP0566839.0 [0,1,0,0,1,0|1,0,0]=3 459 B10R1.191 CC1=C(C(C(=C1C)C)C)C CNP0153262.0 [0,1,0,0,1,0|1,0,1]=4 460 B10R1.256 CCC1=C(NC(=C1C)C)C CNP0244315.0 [0,1,0,0,1,0|2,0,0]=4 461 B12R1.1217 CC1=C(C=C(C(=O)C(=C1)O)Cl)C CNP0458316.0 [0,1,0,0,0,1|2,0,0]=4 462 B12R1.704 COC1=C(C=CC=C(C1=O)C)O CNP0443458.0 [0,1,0,0,0,1|1,0,1]=4 463 B12R1.14 CC1=CC(=C(C(=C1C)C)C)C=O CNP0609155.0 [0,2,0,0,0,0|1,0,0]=3 464 B12R1.14 CC1=CC(=C(C(=C1C)C)C)CCl CNP0291313.0 [0,2,0,0,0,0|1,0,0]=3 465 B12R1.14 CC1=CC(=NO)C(=C(C1=O)C)C CNP0292044.0 [0,2,0,0,0,0|0,0,1]=3 466 B12R1.14 CCC1=C(C(=C(C(=O)O1)C)O)C CNP0147337.0 [0,2,0,0,0,0|1,0,0]=3 467 B12R1.14 CNC1=CC(=O)C(=C(C1=O)C)O CNP0080303.0 [0,2,0,0,0,0|1,0,1]=4 468 B12R1.14 COC1=C(C(=O)N(C(=C1)O)C)O CNP0278685.0 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.14 COC1=CC(=C(C(=C1C)C)O)C CNP0572680.0 [0,2,0,0,0,0|0,0,0]=2 470 B12R1.14 COC1=CC(=C(C(=C1Cl)C)Cl)O CNP0130539.0 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.14 COC1=CC(=C(C(=C1Cl)O)Cl)C CNP0513062.0 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.14 COC1=CC(=C(C(=C1O)Cl)Cl)Cl CNP0263801.0 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.14 COC1=CC(=C(C(=C1O)O)C)O CNP0250808.0 [0,2,0,0,0,0|1,0,0]=3 474 B12R1.14 COC1=CC(=O)C(=C(C1=O)C)Cl CNP0348389.0 [0,2,0,0,0,0|1,0,1]=4 475 B12R1.14 COC1=CC(=O)C(=C(C1=O)C)O CNP0164479.0 [0,2,0,0,0,0|1,0,1]=4 476 B12R1.14 COC1=CC(=O)C(=C(C1=O)O)C CNP0188138.0 [0,2,0,0,0,0|1,0,0]=3 477 B12R1.14 COC1=CC(=O)N(C(=C1O)[O])C CNP0537826.0 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.14 OCC1=CC(=C(C(=C1Br)O)O)Br CNP0078281.0 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.98 CC1=C(C=C(C(=C1C)C=O)O)O CNP0130042.0 [0,2,0,0,0,0|1,0,1]=4 480 B12R1.98 CC1=CC(=C(C(=C1C)C)CCl)C CNP0059344.0 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.98 CC1=CC(=C(C(=C1C=O)O)C)O CNP0150662.0 [0,2,0,0,0,0|0,0,1]=3 482 B12R1.98 CC1=CC(=C(C(=C1Cl)O)C=O)O CNP0293373.0 [0,2,0,0,0,0|1,0,1]=4 483 B12R1.98 COC1=C(C(=O)C(=CC1=O)C)O CNP0304377.0 [0,2,0,0,0,0|1,0,0]=3 484 B12R1.98 COC1=C(C=C(C(=C1Cl)O)Cl)Cl CNP0234871.0 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.98 COC1=C(C=C(C(=C1O)O)C)O CNP0170903.0 [0,2,0,0,0,0|1,0,0]=3 486 B12R1.705 CC1=CC(=C(C(=C1C)CCl)C)C CNP0220314.0 [0,2,0,0,0,0|1,0,0]=3 487 B12R1.705 CC1=CC(=C(C(=C1C)N=O)C)C CNP0060003.0 [0,2,0,0,0,0|0,0,1]=3 488 B12R1.705 CCC1=C(C(=O)C=C(C1=O)O)O CNP0131476.0 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.705 COC1=C(C(=CC(=C1Br)C)O)O CNP0356282.0 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.705 COC1=C(C(=CC(=C1C)C)C)C CNP0611967.0 [0,2,0,0,0,0|0,0,0]=2 491 B12R1.705 COC1=C(C(=CC(=C1C)O)O)C CNP0563660.0 [0,2,0,0,0,0|1,0,0]=3 492 B12R1.705 COC1=C(C(=CC(=C1Cl)C)O)O CNP0368464.0 [0,2,0,0,0,0|2,0,0]=4 493 B12R1.705 COC1=C(C(=CC(=C1Cl)O)C)O CNP0113771.0 [0,2,0,0,0,0|1,0,0]=3 494 B12R1.705 COC1=C(C(=O)C=C(C1=O)C)C CNP0209703.0 [0,2,0,0,0,0|0,0,1]=3 495 B12R1.705 COC1=C(C(=O)C=C(C1=O)C)O CNP0171369.0 [0,2,0,0,0,0|1,0,1]=4 496 B12R1.3795 CC1=C(C(=C(C(=C1Br)Br)O)O)Br CNP0318789.0 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.3795 CC1=C(C(=C(C(=C1C)Br)Br)C)C CNP0470698.0 [0,2,0,0,0,0|1,0,0]=3 498 B12R1.3795 CC1=C(C(=C(C(=C1C)Br)C)Br)C CNP0458090.0 [0,2,0,0,0,0|1,0,0]=3 499 B12R1.3795 CC1=C(C(=C(C(=C1C)C)Br)C)C CNP0474642.0 [0,2,0,0,0,0|1,0,0]=3 500 B12R1.3795 CC1=C(C(=C(C(=C1C)C)C)C)C CNP0334926.0 [0,2,0,0,0,0|1,0,0]=3 501 B12R1.3795 CC1=C(C(=C(C(=C1Cl)Cl)C)Cl)Cl CNP0441785.0 [0,2,0,0,0,0|2,0,0]=4 502 B12R1.3795 CC1=C(C(=C(C(=C1I)C)C)I)C CNP0476567.0 [0,2,0,0,0,0|1,0,0]=3 503 B12R1.3795 CC1=C(C(=C(C(=C1I)C)I)C)I CNP0470016.0 [0,2,0,0,0,0|2,0,0]=4 504 B12R1.3795 CC1=C(C(=C(C(=O)C1=O)C)O)C CNP0551267.0 [0,2,0,0,0,0|0,0,0]=2 505 B12R1.3795 CC1=C(C(=O)C(=C(C1=O)C)C)C CNP0472017.0 [0,2,0,0,0,0|0,0,1]=3 506 B12R1.3795 CC1=C(C(=O)C(=C(C1=O)O)Cl)O CNP0269421.0 [0,2,0,0,0,0|2,0,0]=4 507 B12R1.3795 CC1=C(C(=O)C(=C(C1=O)O)O)C CNP0318306.0 [0,2,0,0,0,0|1,0,1]=4 508 B12R1.497 COCC1=C(C=NC(=C1O)C)C CNP0114344.0 [0,2,0,0,0,0|1,0,0]=3 509 B12R1.652 CC1=NC=C(C(=C1O)C=O)CO CNP0119632.0 [0,2,0,0,0,0|1,0,1]=4 510 B12R1.652 CC1=NC=C(C(=C1O)CN)CO CNP0195117.0 [0,2,0,0,0,0|1,0,0]=3 511 B12R1.652 CC1=NC=C(C(=C1O)CO)C=O CNP0048630.0 [0,2,0,0,0,0|1,0,1]=4 512 B12R1.652 CC1=NC=C(C(=C1O)CO)CO CNP0297581.0 [0,2,0,0,0,0|1,0,0]=3 513 B12R1.652 CCC1=CC=C(C(=C1CC)C)C CNP0108226.0 [0,2,0,0,0,0|1,0,0]=3 514 B12R1.654 COC1=COC(=C(C1=O)OC)C CNP0194493.0 [0,2,0,0,0,0|1,0,1]=4 515 B12R1.741 COC1=C(C(=O)C=CC1=O)OC CNP0305061.0 [0,2,0,0,0,0|2,0,0]=4 516 B12R1.894 CC1=C(C=CC(=C1C(=O)O)O)O CNP0439844.0 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.894 CC1=C(C=CC(=C1C(C)O)O)O CNP0125535.0 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.894 CC1=CC=C(C(=C1C(=O)O)O)Br CNP0437652.0 [0,2,0,0,0,0|1,0,1]=4 519 B12R1.894 CC1=CC=C(C(=C1C)C(=O)O)C CNP0199373.0 [0,2,0,0,0,0|0,0,0]=2 520 B12R1.894 CC1=CC=C(C(=C1O)C(=O)O)C CNP0351770.0 [0,2,0,0,0,0|0,0,1]=3 521 B12R1.894 CC1=CC=C(C(=C1[N+](=O)[O-])C)Br CNP0530225.0 [0,2,0,0,0,0|1,0,1]=4 522 B12R1.653 C=CC1=CC=C(C(=C1O)O)OC CNP0422952.0 [0,2,0,0,0,0|1,0,1]=4 523 B12R1.653 COC1=CC=C(C(=C1C)C)C=O CNP0026563.0 [0,2,0,0,0,0|1,0,1]=4 524 B12R1.653 COC1=CC=C(C(=C1O)O)C=O CNP0224833.0 [0,2,0,0,0,0|1,0,1]=4 525 B12R1.653 COC1=CC=C(C(=C1O)O)OC CNP0075796.0 [0,2,0,0,0,0|1,0,0]=3 526 B12R1.893 CC(=O)C1=CC=C(C(=C1C)C)C CNP0584174.0 [0,2,0,0,0,0|1,0,0]=3 527 B12R1.893 CC(=O)C1=CC=C(C(=C1O)C)O CNP0289312.0 [0,2,0,0,0,0|1,0,0]=3 528 B12R1.893 CC(=O)C1=CC=C(C(=C1O)O)O CNP0213966.0 [0,2,0,0,0,0|2,0,0]=4 529 B12R1.893 CC1=C(C=CC(=C1O)O)C(=O)O CNP0481433.0 [0,2,0,0,0,0|1,0,1]=4 530 B12R1.893 CC1=C(C=CC(=C1O)[N+](=O)[O-])O CNP0487415.0 [0,2,0,0,0,0|2,0,0]=4 531 B12R1.893 CC1=CC=C(C(=C1C)C)C(=O)O CNP0133340.0 [0,2,0,0,0,0|1,0,1]=4 532 B12R1.893 CC1=CC=C(C(=C1O)C)C(C)C CNP0526701.0 [0,2,0,0,0,0|0,0,0]=2 533 B12R1.893 CC1=CC=C(C(=C1O)N)C(=O)O CNP0239974.0 [0,2,0,0,0,0|1,0,1]=4 534 B12R1.893 CC1=CC=C(C(=C1O)O)C(C)C CNP0298407.0 [0,2,0,0,0,0|1,0,0]=3 535 B10R1.14 CC(=NO)C1=CC=C(S1)C CNP0326252.0 [0,0,1,1,0,0|2,0,0]=4 536 B10R1.35 COC1=CC(=C(O1)C=O)C CNP0484703.0 [0,0,1,1,0,0|2,0,0]=4 537 B10R1.149 COC(=O)C1=C(C=CO1)C CNP0325643.0 [0,0,1,1,0,0|2,0,0]=4 538 B12R2.782 CC1=CC(=C2CCC2=C1C)C CNP0055253.0 [0,1,0,1,0,0|1,0,0]=3 539 B12R2.1134 CC1=CC2=C(CC2)C(=C1C)C CNP0057619.0 [0,1,0,1,0,0|1,0,0]=3 540 B12R2.82 CC1=C(C=CC2=C1CCC2)O CNP0145755.0 [0,1,0,1,0,0|2,0,0]=4 541 B12R2.82 CC1=CC=C2CCCC2=C1O CNP0311243.0 [0,1,0,1,0,0|0,0,0]=2 542 B12R2.82 CC1=CC=C2OC=CC2=C1C CNP0353341.0 [0,1,0,1,0,0|1,0,1]=4 543 B12R2.221 CC1=CC=C(C2=C1C=CO2)C CNP0124753.0 [0,1,0,1,0,0|0,0,1]=3 544 B12R2.221 CC1=CC=C(C2=C1CCC2)O CNP0240372.0 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [1,0,0,0,1,0|1,0,1]=4 546 B8R1.50 O=C1C=CC(=C1O)O CNP0105932.0 [1,0,0,0,1,0|2,0,0]=4 547 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [1,0,0,0,1,0|1,0,0]=3 548 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [1,0,0,0,1,0|1,0,0]=3 549 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [1,0,0,0,1,0|1,1,0]=4 550 B8R1.18 CC1=NC(=C(O1)C)C CNP0297316.0 [1,0,0,0,1,0|2,0,0]=4 551 B8R1.18 CC1=NC(=C(S1)C)C CNP0077136.0 [1,0,0,0,1,0|2,0,0]=4 552 B10R0.59 CC=C(C)CCC=C(C)CO CNP0514784.0 [0,0,1,0,0,1|0,0,2]=4