0 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.25 C=CC1=CC=C(C=C1O)O CNP0155671.0 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.25 C=CC1=NC=C(N=C1C)C CNP0178869.0 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.25 CC1=CC(=C(C=N1)C#N)C CNP0069171.0 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.25 CC1=CC(=CC=C1N=O)N CNP0033954.0 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.25 CC1=CC(=O)C=CC1=NO CNP0220999.0 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.25 CC1=CC=C(C(=C1)C)C#N CNP0033930.0 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.25 CC1=CC=C(C(=C1)Cl)C#N CNP0353020.0 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [0,0,0,0,0,0|0,0,0]=0 12 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [0,0,0,0,0,0|1,0,1]=2 14 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [0,0,0,0,0,0|2,0,1]=3 15 B10R1.25 COC1=CC=C(C=C1Br)Br CNP0018124.0 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.25 COC1=CC=C(C=C1I)I CNP0051717.0 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.25 COC1=CC=C(C=C1N)C CNP0028982.0 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.25 N#CC1=CC=C(C=C1O)O CNP0293189.0 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.25 NC1=CC=C(C(=N1)N)N=O CNP0048898.0 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.25 NC1=NC=C(C(=N1)N)C=O CNP0061276.0 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.25 O=CC1=CC=C(C=C1O)O CNP0382408.0 [0,0,0,0,0,0|1,0,0]=1 27 B10R1.25 OCC1=CC=C(C=C1Cl)Cl CNP0569884.0 [0,0,0,0,0,0|2,0,2]=4 28 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.1 C=CC1=CN=C(C=N1)C CNP0137155.0 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [1,0,0,0,0,0|1,0,1]=3 32 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [1,0,0,0,0,0|0,0,0]=1 33 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [1,0,0,0,0,0|0,0,2]=3 34 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [1,0,0,0,0,0|1,0,1]=3 38 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.1 N#CC1=CC=C(C=C1)N CNP0174653.0 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.1 N#[N+]C1=CC=C(C=C1)[O-] CNP0612185.0 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [1,0,0,0,0,0|1,0,0]=2 53 B9R1.1 O=CC1=CC=C(OC1)O CNP0334419.0 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.1 O=NC1=CC=C(C=N1)Br CNP0417097.0 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.1 O=NC1=CC=C(C=N1)Cl CNP0071252.0 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [1,0,0,0,0,0|1,0,2]=4 58 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [1,0,0,0,0,0|1,0,2]=4 59 B9R1.1 [N-]=[N+]=C1C=CC(=O)C=C1 CNP0540787.0 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [1,0,0,0,0,0|1,0,0]=2 62 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [1,0,0,0,0,0|1,0,2]=4 66 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [1,0,0,0,0,0|2,0,1]=4 71 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [1,0,0,0,0,0|1,0,1]=3 72 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [1,0,0,0,0,0|1,1,1]=4 73 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [1,0,0,0,0,0|2,0,0]=3 77 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [1,0,0,0,0,0|1,0,0]=2 81 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [1,0,0,0,0,0|1,0,2]=4 82 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [1,0,0,0,0,0|1,0,1]=3 83 B9R1.15 NNC1=CC=CC=C1Cl CNP0024117.0 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.15 O=CC1=C(C=COC1)O CNP0216664.0 [1,0,0,0,0,0|1,0,1]=3 85 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [1,0,0,0,0,0|1,0,0]=2 86 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [1,0,0,0,0,0|0,0,0]=1 87 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [1,0,0,0,0,0|0,0,2]=3 89 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [1,0,0,0,0,0|1,1,1]=4 90 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.69 C=C1C=NC(=NC1=N)C CNP0524346.0 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [1,0,0,0,0,0|2,0,1]=4 93 B9R1.69 CC1=CC(=CC=C1Br)Cl CNP0064949.0 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.69 CC1=CC(=CC=C1Br)N CNP0054285.0 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.69 CC1=CC(=CC=C1Br)O CNP0025703.0 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.69 CC1=CC(=CC=C1Cl)Br CNP0266846.0 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.69 CC1=CC(=CC=C1Cl)N CNP0024502.0 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.69 CC1=CC(=CC=C1Cl)O CNP0329015.0 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.69 CC1=CC(=CC=C1N)Br CNP0038450.0 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.69 CC1=CC(=CC=C1N)Cl CNP0245359.0 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [1,0,0,0,0,0|2,0,1]=4 102 B9R1.69 CC1=CC(=O)C(=CO1)O CNP0142931.0 [1,0,0,0,0,0|1,0,2]=4 103 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.69 CC1=CC=C(C(=C1)Br)Br CNP0060402.0 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.69 CC1=CC=C(C(=C1)Br)N CNP0031609.0 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [1,0,0,0,0,0|1,0,1]=3 108 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [1,0,0,0,0,0|1,0,1]=3 111 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [1,0,0,0,0,0|1,0,1]=3 112 B9R1.69 CC1=CC=C(C(=C1)Cl)Cl CNP0253916.0 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.69 CC1=CC=C(C(=C1)Cl)N CNP0363714.0 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [1,0,0,0,0,0|1,0,1]=3 115 B9R1.69 CC1=CC=C(C(=C1)N)Br CNP0057363.0 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [1,0,0,0,0,0|1,0,1]=3 117 B9R1.69 CC1=CC=C(C(=C1)N)Cl CNP0495286.0 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.69 CC1=CC=C(C(=C1)N)N CNP0080098.0 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [1,0,0,0,0,0|1,0,1]=3 120 B9R1.69 CC1=CC=C(C(=C1)N)S CNP0463153.0 [1,0,0,0,0,0|1,1,0]=3 121 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [1,0,0,0,0,0|0,0,1]=2 122 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [1,0,0,0,0,0|0,0,1]=2 123 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [1,0,0,0,0,0|2,0,1]=4 124 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [1,0,0,0,0,0|2,0,1]=4 125 B9R1.69 CC1=CC=C(C(=N1)Cl)N CNP0043466.0 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.69 CC1=CC=C(C=C1Br)Cl CNP0186814.0 [1,0,0,0,0,0|2,0,1]=4 127 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [1,0,0,0,0,0|2,0,1]=4 128 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [1,0,0,0,0,0|2,0,1]=4 129 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [1,0,0,0,0,0|2,0,1]=4 130 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [1,0,0,0,0,0|2,0,1]=4 131 B9R1.69 CC1=CC=C(C=C1Cl)N CNP0028854.0 [1,0,0,0,0,0|2,0,1]=4 132 B9R1.69 CC1=CC=C(C=C1N)N CNP0023048.0 [1,0,0,0,0,0|2,0,1]=4 133 B9R1.69 CC1=CC=C(C=C1O)O CNP0256040.0 [1,0,0,0,0,0|1,0,1]=3 134 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [1,0,0,0,0,0|2,0,1]=4 135 B9R1.69 CC1=CN=C(C(=C1)Cl)Br CNP0177235.0 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.69 CC1=CNC(=O)C=C1O CNP0017901.0 [1,0,0,0,0,0|2,0,1]=4 137 B9R1.69 ClC1=CC=C(C(=C1)Cl)Cl CNP0206286.0 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.69 N=C1C=CC(=O)C(=C1)O CNP0274436.0 [1,0,0,0,0,0|1,0,0]=2 139 B9R1.69 NC1=CC(=CC=C1Cl)Cl CNP0040093.0 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.69 NC1=CC(=CC=C1O)O CNP0176630.0 [1,0,0,0,0,0|2,0,1]=4 141 B9R1.69 NC1=CC(=CC=C1S)Cl CNP0458275.0 [1,0,0,0,0,0|2,1,0]=4 142 B9R1.69 NC1=CC=C(C(=C1)N)N CNP0131312.0 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.69 NC1=CC=C(C(=C1)N)O CNP0003471.0 [1,0,0,0,0,0|2,0,1]=4 144 B9R1.69 NC1=CC=C(C=C1Br)Br CNP0063783.0 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.69 NC1=CC=C(C=C1Cl)Cl CNP0048955.0 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.69 O=C1C=C(C(=CN1)Cl)O CNP0569686.0 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.69 O=C1C=CC(=O)C(=C1)O CNP0230039.0 [1,0,0,0,0,0|1,0,0]=2 148 B9R1.69 OC1=CC(=CC=C1Cl)Cl CNP0236901.0 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.69 OC1=CC=C(C(=C1)Br)O CNP0161760.0 [1,0,0,0,0,0|2,0,1]=4 150 B9R1.69 OC1=CC=C(C(=C1)Cl)Cl CNP0386646.0 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.69 OC1=CC=C(C(=C1)Cl)O CNP0331365.0 [1,0,0,0,0,0|2,0,1]=4 152 B9R1.69 OC1=CC=C(C(=C1)O)O CNP0187325.0 [1,0,0,0,0,0|1,0,1]=3 153 B9R1.69 OC1=CC=C(C=C1Br)Br CNP0216116.0 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.69 OC1=CC=C(C=C1Cl)Cl CNP0401033.0 [1,0,0,0,0,0|2,0,1]=4 155 B11R1.37 C=CC1=CC=C(C=C1OC)O CNP0611852.0 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.37 CCC1=CC=C(C=C1CC)C CNP0183897.0 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.37 CCC1=CC=C(C=C1CO)C CNP0299444.0 [0,1,0,0,0,0|1,0,1]=3 158 B11R1.37 COC1=CC(=CC=C1C=O)O CNP0328475.0 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.37 COC1=CC(=O)C=CC1=[N+]=[N-] CNP0510276.0 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.37 COC1=CC=C(C=C1OC)C CNP0142648.0 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.37 COC1=CC=C(C=C1OC)I CNP0034495.0 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.37 COC1=CC=C(C=C1OC)O CNP0220201.0 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.81 C=CCC1=CC=C(C=C1O)O CNP0329689.0 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.81 CC1=CC(=CC=C1NC=O)Cl CNP0105293.0 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.81 CC=CC1=CC=C(C=C1O)O CNP0287059.0 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.81 CCCC1=CC=C(C=C1C)C CNP0112480.0 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.81 CCCC1=CC=C(C=C1O)C CNP0518001.0 [0,1,0,0,0,0|1,0,1]=3 168 B11R1.81 CNCC1=CC=C(C=C1O)Cl CNP0445122.0 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.81 N#CCC1=CC=C(C=C1O)O CNP0137512.0 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.81 OCCC1=CC=C(C=C1O)O CNP0163682.0 [0,1,0,0,0,0|1,0,2]=4 171 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [0,1,0,0,0,0|1,0,0]=2 172 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [0,1,0,0,0,0|0,0,0]=1 174 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CNP0529513.0 [0,1,0,0,0,0|1,0,0]=2 175 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.166 CC(=O)C1=CC=C(OC1O)C CNP0457804.0 [0,1,0,0,0,0|1,0,1]=3 177 B11R1.166 CC(=O)C1=NC=C(N=C1C)C CNP0361229.0 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.166 CC1=CC(=CC=C1C(=O)O)O CNP0075319.0 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.166 CC1=CC(=CC=C1[N+](=O)[O-])N CNP0541671.0 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O CNP0491726.0 [0,1,0,0,0,0|1,0,1]=3 181 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)Cl CNP0035950.0 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)O CNP0439432.0 [0,1,0,0,0,0|1,0,0]=2 183 B11R1.166 CC1=CC=C(C(=C1)C)C(C)C CNP0278893.0 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.166 CC1=CC=C(C(=C1)N)[N+](=O)[O-] CNP0575477.0 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CNP0081106.0 [0,1,0,0,0,0|0,0,0]=1 186 B11R1.166 CC1=CC=C(C(=C1)O)C(C)C CNP0135128.0 [0,1,0,0,0,0|1,0,1]=3 187 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl CNP0526880.0 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.166 NC(=O)C1=CC=C(C=C1O)O CNP0268339.0 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.166 NC1=CC(=CC=C1[N+](=O)[O-])Cl CNP0590572.0 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.166 NC1=CC=C(C(=C1)N)C(=O)O CNP0400011.0 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)O CNP0313106.0 [0,1,0,0,0,0|1,0,0]=2 192 B11R1.166 O=C(Cl)C1=CC=C(C=C1O)O CNP0210532.0 [0,1,0,0,0,0|1,0,0]=2 193 B11R1.166 O=C(O)C1=CC=C(C=C1Cl)Cl CNP0175601.0 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.166 O=C(O)C1=CC=C(C=C1O)O CNP0285956.0 [0,1,0,0,0,0|1,0,0]=2 195 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Cl CNP0609125.0 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.166 O=C(O)C1=CN=C(N=C1O)O CNP0502839.0 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.166 O=[N+]([O-])C1=CC=C(C=C1O)O CNP0564391.0 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.277 CC1=CC(=C(C=C1C)C=O)C CNP0085942.0 [0,1,0,0,0,0|1,0,0]=2 199 B11R1.277 CC1=CC(=C(C=C1C)CO)C CNP0612014.0 [0,1,0,0,0,0|1,0,2]=4 200 B11R1.277 CC1=CC(=C(C=C1O)C)N=O CNP0314907.0 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.277 CCC1=CC(=C(C=C1C)C)C CNP0561211.0 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.277 CCC1=CC(=C(C=C1O)C)C CNP0088843.0 [0,1,0,0,0,0|1,0,1]=3 203 B11R1.277 CCC1=CC(=O)C(=CC1=O)C CNP0227006.0 [0,1,0,0,0,0|1,0,2]=4 204 B11R1.277 COC1=CC(=C(C=C1C)C)C CNP0537102.0 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.277 COC1=CC(=C(C=C1O)C)O CNP0167756.0 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.277 COC1=CC(=O)C(=CC1=O)C CNP0269462.0 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.277 O=CC1=CC(=C(C=C1Br)O)O CNP0158213.0 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.277 O=CC1=CC(=C(C=C1O)O)O CNP0294137.0 [0,1,0,0,0,0|1,0,0]=2 209 B11R1.277 OCC1=CC(=C(C=C1O)Cl)O CNP0329388.0 [0,1,0,0,0,0|1,0,2]=4 210 B11R1.278 CC1=C(C=CC(=C1O)N=O)O CNP0064746.0 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.278 CC1=C(C=CC(=C1O)O)C=O CNP0202109.0 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.278 CC1=CC=C(C(=C1C)C)C=O CNP0307883.0 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.278 CCC1=CC=C(C(=C1O)C)C CNP0328437.0 [0,1,0,0,0,0|1,0,1]=3 214 B11R1.278 COC1=CC=C(C(=O)C1=O)C CNP0534932.0 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.278 O=CC1=CC=C(C(=C1O)O)O CNP0080275.0 [0,1,0,0,0,0|1,0,0]=2 216 B11R1.279 C=CC1=CC=C(C(=C1)O)OC CNP0342720.0 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.279 CC1=CC(=CC=C1C=O)C=O CNP0301871.0 [0,1,0,0,0,0|1,0,1]=3 218 B11R1.279 CC1=CC(=CC=C1N=O)N=O CNP0373828.0 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.279 CCC1=CC=C(C(=C1)C)CC CNP0174684.0 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.279 CCC1=CC=C(C(=C1)O)OC CNP0241141.0 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.279 COC1=CC=C(C(=C1)Br)OC CNP0224499.0 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.279 COC1=CC=C(C(=C1)C)OC CNP0235109.0 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.279 COC1=CC=C(C(=C1)Cl)OC CNP0294313.0 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.279 COC1=CC=C(C(=C1)N)OC CNP0151673.0 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.279 COC1=CC=C(C(=C1)O)C=O CNP0298651.0 [0,1,0,0,0,0|0,0,0]=1 226 B11R1.279 COC1=CC=C(C(=C1)O)OC CNP0373176.0 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.279 COC1=CC=C(C(=N1)N)N=O CNP0131979.0 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.279 COC1=CC=C(C=C1Br)CO CNP0163543.0 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.279 COC1=CC=C(C=C1Cl)CO CNP0187706.0 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.279 COC1=CC=C(C=C1O)C=O CNP0420166.0 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.279 COC1=CC=C(C=C1O)CN CNP0009082.0 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.279 COC1=CC=C(C=C1O)CO CNP0153100.0 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.279 NCC1=CC=C(C(=C1)O)CO CNP0119562.0 [0,1,0,0,0,0|0,0,2]=3 234 B11R1.464 CC1=CC(=C(C(=C1)C)C=O)C CNP0234902.0 [0,1,0,0,0,0|1,0,0]=2 235 B11R1.464 CC1=CC(=C(C(=C1)C)N=O)C CNP0216799.0 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.464 CC1=CC(=C(C(=C1)Cl)C=O)Cl CNP0026222.0 [0,1,0,0,0,0|1,0,0]=2 237 B11R1.464 CC1=CC(=C(C(=C1)O)C=O)O CNP0218508.0 [0,1,0,0,0,0|0,0,0]=1 238 B11R1.464 CC1=CC(=CC(=C1C=O)O)O CNP0115622.0 [0,1,0,0,0,0|1,0,0]=2 239 B11R1.464 CCC1=C(C=C(C=C1C)C)C CNP0246344.0 [0,1,0,0,0,0|2,0,1]=4 240 B11R1.464 CCC1=C(C=C(C=C1Cl)C)C CNP0233565.0 [0,1,0,0,0,0|2,0,1]=4 241 B11R1.464 CCC1=C(C=C(OC1=O)C)O CNP0431819.0 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.464 COC1=C(C=C(C=C1Br)Br)O CNP0097750.0 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.464 COC1=C(C=C(C=C1C)C)C CNP0565570.0 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.464 COC1=C(C=C(C=C1O)O)O CNP0224483.0 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.464 COC1=C(C=C(NC1=O)C)O CNP0316494.0 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.464 O=CC1=C(C=C(C=C1O)O)O CNP0198826.0 [0,1,0,0,0,0|1,0,0]=2 247 B9R0.34 CC=CC(=CC(=CC)C)C CNP0404267.0 [0,0,1,0,0,0|2,0,1]=4 248 B11R2.36 CC1=CC2=C(C=N1)N=NO2 CNP0000867.0 [0,0,0,1,0,0|3,0,0]=4 249 B11R2.36 CC1=CC2=C(C=NO2)N=N1 CNP0419564.0 [0,0,0,1,0,0|3,0,0]=4 250 B11R2.36 CC1=CC=C2C=CNC2=C1 CNP0156708.0 [0,0,0,1,0,0|2,0,0]=3 251 B11R2.36 CC1=CC=C2C=CSC2=N1 CNP0293549.0 [0,0,0,1,0,0|2,1,0]=4 252 B11R2.36 CC1=CC=C2CCCC2=C1 CNP0170611.0 [0,0,0,1,0,0|2,0,1]=4 253 B11R2.36 CC1=CC=C2N=CNC2=C1 CNP0512184.0 [0,0,0,1,0,0|3,0,0]=4 254 B11R2.36 CC1=CC=C2N=NOC2=N1 CNP0152363.0 [0,0,0,1,0,0|3,0,0]=4 255 B11R2.36 CC1=CC=C2NC=CC2=C1 CNP0140015.0 [0,0,0,1,0,0|3,0,0]=4 256 B11R2.36 CC1=CN=C2C=NOC2=N1 CNP0241570.0 [0,0,0,1,0,0|3,0,0]=4 257 B11R2.36 CC1=CN=C2N=NOC2=C1 CNP0000928.0 [0,0,0,1,0,0|3,0,0]=4 258 B11R2.36 CC1=NC=C2C=NOC2=N1 CNP0356991.0 [0,0,0,1,0,0|3,0,0]=4 259 B11R2.36 N=C1C=C2ONC=C2C=N1 CNP0000918.0 [0,0,0,1,0,0|3,0,0]=4 260 B11R2.36 N=C1C=CC2=CNOC2=N1 CNP0408247.0 [0,0,0,1,0,0|3,0,0]=4 261 B11R2.36 N=C1C=CC2=NNOC2=C1 CNP0000847.0 [0,0,0,1,0,0|3,0,0]=4 262 B11R2.36 N=C1C=CN2C=NOC2=C1 CNP0169442.0 [0,0,0,1,0,0|3,0,0]=4 263 B11R2.36 N=C1C=NC2=CNOC2=C1 CNP0000901.0 [0,0,0,1,0,0|3,0,0]=4 264 B11R2.36 NC1=CC2=C(C=NO2)C=N1 CNP0289240.0 [0,0,0,1,0,0|3,0,0]=4 265 B11R2.36 NC1=CC=C2C=NOC2=N1 CNP0144591.0 [0,0,0,1,0,0|3,0,0]=4 266 B11R2.36 NC1=CC=C2N=NOC2=C1 CNP0114153.0 [0,0,0,1,0,0|3,0,0]=4 267 B11R2.36 NC1=CN=C2C=NOC2=C1 CNP0139237.0 [0,0,0,1,0,0|3,0,0]=4 268 B11R2.36 OC1=CC=C2C=COC2=C1 CNP0263236.0 [0,0,0,1,0,0|2,0,0]=3 269 B11R2.36 OC1=CC=C2OCOC2=C1 CNP0223104.0 [0,0,0,1,0,0|3,0,0]=4 270 B11R2.363 CC1=CC=C2C(=O)CC2=C1 CNP0317782.0 [0,0,0,1,0,0|1,0,0]=2 271 B11R2.610 CC1=CC(=C2CCC2=C1)C CNP0050950.0 [0,0,0,1,0,0|2,0,1]=4 272 B9R1.22 CC1=C(OC(=C1)O)C=O CNP0522144.0 [0,0,0,0,1,0|3,0,0]=4 273 B9R1.132 CC1=C(OC=C1O)C=O CNP0517113.0 [0,0,0,0,1,0|3,0,0]=4 274 B8R0.4 C=CCC=CC=CC=O CNP0394181.0 [1,0,1,0,0,0|1,0,1]=4 275 B8R0.6 CC(=CC=CC=O)CO CNP0246608.0 [1,0,1,0,0,0|0,0,1]=3 276 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [1,0,1,0,0,0|1,0,1]=4 277 B8R0.8 CC=CCC(=O)C(=O)O CNP0039231.0 [1,0,1,0,0,0|1,0,1]=4 278 B8R0.11 C=CC(=CCCC)C=O CNP0610785.0 [1,0,1,0,0,0|0,0,2]=4 279 B8R0.11 CC=C(C=O)C=CCC CNP0281953.0 [1,0,1,0,0,0|0,0,2]=4 280 B8R0.9 C=C(O)C=CC(=O)C=O CNP0588260.0 [1,0,1,0,0,0|1,0,1]=4 281 B8R0.9 C=C(O)C=CC(=O)C=O CNP0602025.0 [1,0,1,0,0,0|1,0,1]=4 282 B8R0.9 CC(=O)C=CC(=O)CO CNP0106535.0 [1,0,1,0,0,0|1,0,1]=4 283 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [1,0,1,0,0,0|1,0,1]=4 284 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [2,0,0,0,0,0|1,0,1]=4 285 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|1,0,0]=3 286 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [2,0,0,0,0,0|2,0,0]=4 287 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|1,0,1]=4 289 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|2,0,0]=4 290 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|1,0,1]=4 293 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [2,0,0,0,0,0|1,0,1]=4 294 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|1,0,1]=4 295 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [2,0,0,0,0,0|2,0,0]=4 296 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|0,0,0]=2 298 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [2,0,0,0,0,0|1,0,0]=3 299 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [2,0,0,0,0,0|0,0,2]=4 300 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [2,0,0,0,0,0|1,0,0]=3 301 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|1,0,0]=3 302 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [2,0,0,0,0,0|2,0,0]=4 303 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|0,0,2]=4 304 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|0,1,0]=3 305 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|0,1,1]=4 306 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|0,0,2]=4 307 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|1,0,1]=4 308 B8R1.3 BrC1=CC=C(C=C1)Br CNP0468033.0 [2,0,0,0,0,0|2,0,0]=4 309 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [2,0,0,0,0,0|0,0,1]=3 310 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [2,0,0,0,0,0|1,0,0]=3 311 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [2,0,0,0,0,0|0,0,1]=3 312 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [2,0,0,0,0,0|1,0,0]=3 313 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [2,0,0,0,0,0|1,0,0]=3 314 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [2,0,0,0,0,0|0,0,1]=3 315 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [2,0,0,0,0,0|0,1,0]=3 316 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [2,0,0,0,0,0|2,0,0]=4 317 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [2,0,0,0,0,0|1,0,1]=4 318 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [2,0,0,0,0,0|1,0,1]=4 319 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [2,0,0,0,0,0|2,0,0]=4 320 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [2,0,0,0,0,0|1,0,1]=4 321 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [2,0,0,0,0,0|2,0,0]=4 322 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [2,0,0,0,0,0|1,0,0]=3 323 B8R1.3 CN1C=CC(=N)C=C1 CNP0407521.0 [2,0,0,0,0,0|2,0,0]=4 324 B8R1.3 ClC1=CC=C(C=C1)Cl CNP0341270.0 [2,0,0,0,0,0|2,0,0]=4 325 B8R1.3 NC1=CC=C(C=C1)Br CNP0044742.0 [2,0,0,0,0,0|2,0,0]=4 326 B8R1.3 NC1=CC=C(C=C1)I CNP0290133.0 [2,0,0,0,0,0|2,0,0]=4 327 B8R1.3 NC1=CC=C(C=C1)N CNP0208924.0 [2,0,0,0,0,0|2,0,0]=4 328 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [2,0,0,0,0,0|1,0,1]=4 329 B8R1.3 O=C1C=CC(=CN1)O CNP0491283.0 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [2,0,0,0,0,0|1,0,0]=3 331 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [2,0,0,0,0,0|1,0,1]=4 332 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [2,0,0,0,0,0|1,0,1]=4 333 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [2,0,0,0,0,0|1,0,1]=4 334 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [2,0,0,0,0,0|1,0,1]=4 335 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [2,0,0,0,0,0|1,0,1]=4 336 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [2,0,0,0,0,0|1,0,1]=4 337 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [2,0,0,0,0,0|1,0,1]=4 338 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [2,0,0,0,0,0|1,0,1]=4 339 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [2,0,0,0,0,0|1,0,1]=4 340 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [2,0,0,0,0,0|1,0,1]=4 341 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [2,0,0,0,0,0|0,0,1]=3 342 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [2,0,0,0,0,0|0,1,1]=4 343 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [2,0,0,0,0,0|1,0,1]=4 344 B8R1.5 ClC1=CC=CC=C1Cl CNP0284887.0 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.5 NC1=CC=CC=C1Br CNP0295031.0 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.5 NC1=CC=CC=C1N CNP0232275.0 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [2,0,0,0,0,0|1,0,0]=3 348 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [2,0,0,0,0,0|1,1,0]=4 349 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [2,0,0,0,0,0|0,0,1]=3 350 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [2,0,0,0,0,0|0,0,1]=3 351 B8R1.5 O=C1C=CNC=C1O CNP0258387.0 [2,0,0,0,0,0|1,0,0]=3 352 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [2,0,0,0,0,0|1,0,0]=3 353 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [2,0,0,0,0,0|1,0,0]=3 354 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [2,0,0,0,0,0|1,0,0]=3 355 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [2,0,0,0,0,0|1,0,0]=3 356 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [2,0,0,0,0,0|1,0,0]=3 357 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [2,0,0,0,0,0|0,0,1]=3 358 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [2,0,0,0,0,0|2,0,0]=4 359 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [2,0,0,0,0,0|1,0,1]=4 360 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [2,0,0,0,0,0|1,0,1]=4 361 B8R1.5 ON1C=CC=CC1=S CNP0586487.0 [2,0,0,0,0,0|1,1,0]=4 362 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [2,0,0,0,0,0|0,0,1]=3 363 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [2,0,0,0,0,0|1,0,1]=4 364 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [2,0,0,0,0,0|1,0,0]=3 365 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [2,0,0,0,0,0|1,0,1]=4 366 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [2,0,0,0,0,0|1,0,1]=4 367 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [2,0,0,0,0,0|1,0,0]=3 368 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [2,0,0,0,0,0|1,0,0]=3 369 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [2,0,0,0,0,0|1,0,0]=3 370 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [2,0,0,0,0,0|1,0,0]=3 371 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [2,0,0,0,0,0|0,0,0]=2 372 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [2,0,0,0,0,0|2,0,0]=4 373 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [2,0,0,0,0,0|2,0,0]=4 374 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [2,0,0,0,0,0|2,0,0]=4 375 B8R1.4 CC1=CC=C[N+](=C1)[O-] CNP0579325.0 [2,0,0,0,0,0|1,0,1]=4 376 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [2,0,0,0,0,0|2,0,0]=4 377 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [2,0,0,0,0,0|2,0,0]=4 378 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [2,0,0,0,0,0|2,0,0]=4 379 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [2,0,0,0,0,0|2,0,0]=4 380 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [2,0,0,0,0,0|1,0,0]=3 381 B8R1.4 ClC1=CC=CC(=C1)Cl CNP0080171.0 [2,0,0,0,0,0|2,0,0]=4 382 B8R1.4 NC1=CC=CC(=C1)Cl CNP0066965.0 [2,0,0,0,0,0|2,0,0]=4 383 B8R1.4 NC1=CC=CC(=C1)N CNP0033147.0 [2,0,0,0,0,0|2,0,0]=4 384 B8R1.4 NC1=CC=CC(=C1)O CNP0172517.0 [2,0,0,0,0,0|1,0,0]=3 385 B8R1.4 OC1=CC=CC(=C1)Cl CNP0109649.0 [2,0,0,0,0,0|1,0,0]=3 386 B8R1.4 OC1=CC=CC(=C1)O CNP0414137.0 [2,0,0,0,0,0|1,0,0]=3 387 B8R1.4 [O-]C1=CC=CC(=C1)[O-] CNP0552554.0 [2,0,0,0,0,0|1,0,1]=4 388 B10R0.3 CC(=CC=CC(=CC=O)C)C CNP0319558.0 [0,1,1,0,0,0|1,0,1]=4 389 B10R0.3 CC(=CC=CC(=CCO)C)C CNP0278603.0 [0,1,1,0,0,0|1,0,1]=4 390 B10R0.91 CC(=CC=CC=O)C=CC=O CNP0179578.0 [0,1,1,0,0,0|0,0,1]=3 391 B10R0.44 C=CC(=CC(=O)C=C(C)C)C CNP0174615.0 [0,1,1,0,0,0|1,0,1]=4 392 B10R0.44 C=CC(=CC(O)C=C(C)C)C CNP0546844.0 [0,1,1,0,0,0|1,0,1]=4 393 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [1,1,0,0,0,0|2,0,0]=4 395 B10R1.1 CC1=CC=C(C=C1)C=NO CNP0256781.0 [1,1,0,0,0,0|0,0,1]=3 396 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [1,1,0,0,0,0|0,0,0]=2 397 B10R1.1 CC1=CC=C(C=C1)SC#N CNP0533747.0 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [1,1,0,0,0,0|1,0,1]=4 401 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [1,1,0,0,0,0|1,0,1]=4 402 B10R1.1 NC1=CC=C(C=C1)C=NO CNP0185919.0 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.1 NC=CC1=CC=C(C=C1)O CNP0527921.0 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.1 ON=CC1=CC=C(C=C1)Br CNP0046844.0 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.1 ON=CC1=CC=C(C=C1)Cl CNP0036786.0 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.1 ON=CC1=CC=C(C=C1)O CNP0057124.0 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.1 [2H]/C=C\C1=CC=C(C=C1)O CNP0496441.0 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.3 BrCC1=CC=C(C=C1)CBr CNP0025281.0 [1,1,0,0,0,0|1,0,1]=4 410 B10R1.3 C=CC1=CC=C(C=C1)C=C CNP0540510.0 [1,1,0,0,0,0|1,0,1]=4 411 B10R1.3 C=CC1=CC=C(C=C1)C=O CNP0512344.0 [1,1,0,0,0,0|0,0,1]=3 412 B10R1.3 C=CC1=CC=C(C=C1)CC CNP0084147.0 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.3 C=CC1=CC=C(C=C1)CO CNP0018712.0 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.3 C=CC1=CC=C(C=C1)OC CNP0327301.0 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.3 CCC1=CC=C(C=C1)C#N CNP0223506.0 [1,1,0,0,0,0|1,0,1]=4 416 B10R1.3 CCC1=CC=C(C=C1)C=O CNP0279142.0 [1,1,0,0,0,0|0,0,0]=2 417 B10R1.3 CCC1=CC=C(C=C1)CC CNP0158802.0 [1,1,0,0,0,0|1,0,1]=4 418 B10R1.3 CCC1=CC=C(C=C1)OC CNP0330277.0 [1,1,0,0,0,0|1,0,1]=4 419 B10R1.3 CNC1=CC=C(C=C1)C=O CNP0246789.0 [1,1,0,0,0,0|0,0,0]=2 420 B10R1.3 COC1=CC=C(C=C1)C#N CNP0311472.0 [1,1,0,0,0,0|1,0,1]=4 421 B10R1.3 COC1=CC=C(C=C1)C=O CNP0234469.0 [1,1,0,0,0,0|0,0,0]=2 422 B10R1.3 COC1=CC=C(C=C1)C=S CNP0185667.0 [1,1,0,0,0,0|0,1,0]=3 423 B10R1.3 COC1=CC=C(C=C1)CN CNP0143724.0 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.3 COC1=CC=C(C=C1)CO CNP0301946.0 [1,1,0,0,0,0|0,0,2]=4 425 B10R1.3 COC1=CC=C(C=C1)OC CNP0161668.0 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.3 N#[N+]C1=CC=C(C=C1)CO CNP0355335.0 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.3 O=CC1=CC=C(C=C1)C=O CNP0454004.0 [1,1,0,0,0,0|0,0,1]=3 428 B10R1.3 O=CC1=CC=C(C=C1)CBr CNP0064464.0 [1,1,0,0,0,0|0,0,0]=2 429 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [1,1,0,0,0,0|1,0,0]=3 430 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [1,1,0,0,0,0|0,0,0]=2 433 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [1,1,0,0,0,0|1,0,0]=3 436 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [1,1,0,0,0,0|0,0,2]=4 438 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [1,1,0,0,0,0|0,0,0]=2 441 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [1,1,0,0,0,0|0,0,0]=2 442 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [1,1,0,0,0,0|0,0,0]=2 443 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [1,1,0,0,0,0|0,0,0]=2 444 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [1,1,0,0,0,0|1,0,1]=4 445 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [1,1,0,0,0,0|0,0,2]=4 446 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [1,1,0,0,0,0|0,0,2]=4 447 B10R1.13 N=C(N)C1=CC=C(C=C1)N CNP0095026.0 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.13 N=C1C=CC(=CN1)C(=O)N CNP0537992.0 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.13 NC(=O)C1=CC=C(N=C1)Cl CNP0263777.0 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.13 NC(=O)C1=CC=C(N=C1)N CNP0343331.0 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [1,1,0,0,0,0|1,0,0]=3 453 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] CNP0491985.0 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.13 O=C(O)C1=CNC(=O)C=C1 CNP0533542.0 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.13 O=C(O)C1=COC(=O)C=C1 CNP0363999.0 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [1,1,0,0,0,0|1,0,0]=3 468 B10R1.176 C=CC1=CC=C(C(=C1)O)O CNP0218096.0 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.176 CC1=CC(=CC=C1N)N=O CNP0042604.0 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.176 CC1=CC(=CC=C1O)C=O CNP0018890.0 [1,1,0,0,0,0|1,0,0]=3 471 B10R1.176 CC1=CC=C(C=C1C)C#N CNP0181583.0 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [1,1,0,0,0,0|0,0,2]=4 473 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.176 NC1=CC(=CC=C1O)C=O CNP0343365.0 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.176 O=CC1=CC=C(C(=C1)Br)O CNP0212461.0 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.176 O=CC1=CC=C(C(=C1)Cl)Cl CNP0066778.0 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.176 O=CC1=CC=C(C(=C1)O)O CNP0203672.0 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.2 C#[N+]C1=CC=CC(=C1O)N CNP0440267.0 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.2 CC1=CC=CC(=C1C)C=O CNP0501818.0 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.2 CCC1=CC=CC(=C1O)C CNP0284386.0 [1,1,0,0,0,0|1,0,1]=4 482 B10R1.2 CCC1=CC=CC(=C1O)O CNP0002512.0 [1,1,0,0,0,0|1,0,1]=4 483 B10R1.2 COC1=CC=CC(=C1O)I CNP0386670.0 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.2 COC1=CC=CC(=C1O)O CNP0330888.0 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.2 O=CC1=CC=CC(=C1O)O CNP0104242.0 [1,1,0,0,0,0|0,0,0]=2 486 B10R1.2 OCC1=CC=CC(=C1O)O CNP0210787.0 [1,1,0,0,0,0|0,0,2]=4 487 B10R1.2 [2H]C1=CC=CC(=C1O)OC CNP0538068.0 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.4 C=COC1=CC=CC=C1C CNP0434355.0 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.4 CC1=CC=CC=C1NC=O CNP0055612.0 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [1,1,0,0,0,0|1,0,1]=4 493 B10R1.4 CN1C=CC=CC1=CN=O CNP0450996.0 [1,1,0,0,0,0|2,0,0]=4 494 B10R1.4 N#CCC1=CC=CC=C1O CNP0229755.0 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.4 NC1=CC=CC=C1C=NO CNP0310844.0 [1,1,0,0,0,0|1,0,1]=4 496 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [1,1,0,0,0,0|1,0,1]=4 497 B10R1.4 NNC=C1C=CC=CC1=O CNP0076151.0 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.4 O=CNC1=CC=CC=C1O CNP0482725.0 [1,1,0,0,0,0|0,0,0]=2 499 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [1,1,0,0,0,0|0,0,2]=4 500 B10R1.4 ON=CC1=CC=CC=C1Br CNP0040923.0 [1,1,0,0,0,0|1,0,1]=4 501 B10R1.4 ON=CC1=CC=CC=C1O CNP0177435.0 [1,1,0,0,0,0|0,0,1]=3 502 B10R1.20 C=CC1=CC=CC=C1OC CNP0201512.0 [1,1,0,0,0,0|1,0,0]=3 503 B10R1.20 CCC1=CC=CC=C1C=O CNP0565429.0 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.20 CCC1=CC=CC=C1CO CNP0418111.0 [1,1,0,0,0,0|1,0,1]=4 505 B10R1.20 CCC1=CC=CC=C1OC CNP0246064.0 [1,1,0,0,0,0|1,0,1]=4 506 B10R1.20 CNC1=CC=CC=C1C=O CNP0169354.0 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.20 CNC1=CC=CC=C1CO CNP0310287.0 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.20 COC1=CC=CC=C1C=O CNP0183883.0 [1,1,0,0,0,0|0,0,0]=2 509 B10R1.20 COC1=CC=CC=C1CCl CNP0053789.0 [1,1,0,0,0,0|1,0,1]=4 510 B10R1.20 COC1=CC=CC=C1CN CNP0294075.0 [1,1,0,0,0,0|1,0,1]=4 511 B10R1.20 COC1=CC=CC=C1CO CNP0047350.0 [1,1,0,0,0,0|0,0,2]=4 512 B10R1.20 COC1=CC=CC=C1OC CNP0141393.0 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.20 O=CC1=CC=CC=C1C=O CNP0478589.0 [1,1,0,0,0,0|0,0,1]=3 514 B10R1.30 C=CC1=CC(=CC=C1C)C CNP0027363.0 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.30 CC1=CC=C(C(=C1)C=O)C CNP0076382.0 [1,1,0,0,0,0|1,0,0]=3 516 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [1,1,0,0,0,0|1,0,1]=4 517 B10R1.30 CCC1=CC(=CC=C1O)O CNP0246876.0 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.30 COC1=CC(=CC=C1O)C CNP0264266.0 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.30 COC1=CC(=CC=C1O)O CNP0204166.0 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.30 N#CC1=CC(=CC=C1O)O CNP0284631.0 [1,1,0,0,0,0|1,0,1]=4 521 B10R1.30 O=CC1=CC(=CC=C1O)O CNP0326066.0 [1,1,0,0,0,0|0,0,0]=2 522 B10R1.30 OCC1=CC(=CC=C1O)O CNP0290995.0 [1,1,0,0,0,0|0,0,2]=4 523 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [1,1,0,0,0,0|1,0,0]=3 525 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [1,1,0,0,0,0|1,0,0]=3 526 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [1,1,0,0,0,0|0,0,0]=2 527 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [1,1,0,0,0,0|1,0,1]=4 531 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [1,1,0,0,0,0|1,0,0]=3 532 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.61 CC1=CC=NC=C1C(=O)N CNP0051605.0 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] CNP0503158.0 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [1,1,0,0,0,0|1,0,0]=3 540 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [1,1,0,0,0,0|0,0,0]=2 541 B10R1.61 NC(=O)C1=CN=CC=C1O CNP0172133.0 [1,1,0,0,0,0|1,0,0]=3 542 B10R1.61 NC(=O)C1=CNC=CC1=O CNP0612033.0 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [1,1,0,0,0,0|1,0,0]=3 544 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] CNP0571893.0 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [1,1,0,0,0,0|0,0,0]=2 547 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [1,1,0,0,0,0|0,1,0]=3 548 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [1,1,0,0,0,0|0,0,1]=3 549 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [1,1,0,0,0,0|0,0,1]=3 550 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] CNP0602908.0 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.61 O=C(O)C1=CC=NC=C1Br CNP0504363.0 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.61 O=C(O)C1=CC=NC=C1O CNP0519260.0 [1,1,0,0,0,0|1,0,0]=3 553 B10R1.61 O=C(O)C1=CN=CC=C1O CNP0530780.0 [1,1,0,0,0,0|1,0,0]=3 554 B10R1.61 O=C(O)C1=CNC=CC1=O CNP0248624.0 [1,1,0,0,0,0|1,0,1]=4 555 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [1,1,0,0,0,0|1,0,0]=3 556 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [1,1,0,0,0,0|0,0,0]=2 557 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [1,1,0,0,0,0|0,0,0]=2 558 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [1,1,0,0,0,0|0,0,0]=2 559 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [1,1,0,0,0,0|0,1,0]=3 560 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [1,1,0,0,0,0|1,0,0]=3 562 B10R1.245 CC1=CC=CC(=C1C=O)C CNP0561651.0 [1,1,0,0,0,0|1,0,0]=3 563 B10R1.245 CC1=CC=CC(=C1C=O)O CNP0298218.0 [1,1,0,0,0,0|0,0,0]=2 564 B10R1.245 CC1=CC=CC(=C1CO)O CNP0321165.0 [1,1,0,0,0,0|0,0,2]=4 565 B10R1.245 COC1=C(C=CC=C1O)O CNP0193285.0 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.22 CC1=C(C=C(C=C1O)O)O CNP0270802.0 [1,1,0,0,0,0|1,0,1]=4 567 B10R1.22 CC1=CC(=C(C(=C1)Br)I)Cl CNP0179139.0 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.22 CC1=CC(=C(C(=C1)Br)N)Cl CNP0063027.0 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.22 CC1=CC(=C(C(=C1)Br)N)N CNP0039347.0 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.22 CC1=CC(=C(C(=C1)Br)O)Br CNP0242146.0 [1,1,0,0,0,0|1,0,1]=4 571 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CNP0375454.0 [1,1,0,0,0,0|1,0,1]=4 572 B10R1.22 CC1=CC(=C(C(=C1)C)N)C CNP0072418.0 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.22 CC1=CC(=C(C(=C1)C)O)C CNP0321032.0 [1,1,0,0,0,0|1,0,1]=4 574 B10R1.22 CC1=CC(=C(C(=C1)Cl)Br)Cl CNP0296853.0 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.22 CC1=CC(=C(C(=C1)Cl)N)N CNP0097451.0 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.22 CC1=CC(=C(C(=C1)N)C)C CNP0027884.0 [1,1,0,0,0,0|1,0,1]=4 577 B10R1.22 CC1=CC(=C(C(=C1)O)C)C CNP0281157.0 [1,1,0,0,0,0|0,0,1]=3 578 B10R1.22 CC1=CC(=C(C(=C1)O)C)O CNP0156178.0 [1,1,0,0,0,0|0,0,1]=3 579 B10R1.22 CC1=CC(=C(C(=C1)O)Cl)O CNP0171455.0 [1,1,0,0,0,0|1,0,0]=3 580 B10R1.22 CC1=CC(=C(C(=C1)O)O)C CNP0386654.0 [1,1,0,0,0,0|0,0,1]=3 581 B10R1.22 CC1=CC(=C(C(=C1)O)O)O CNP0266425.0 [1,1,0,0,0,0|0,0,1]=3 582 B10R1.22 CC1=CC(=C(C(=O)O1)C)O CNP0371588.0 [1,1,0,0,0,0|1,0,1]=4 583 B10R1.22 CC1=CC(=CC(=C1C)O)O CNP0138651.0 [1,1,0,0,0,0|1,0,1]=4 584 B10R1.22 CC1=CC(=CC(=C1Cl)O)O CNP0283107.0 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.22 CC1=CC(=CC(=C1O)O)O CNP0249116.0 [1,1,0,0,0,0|1,0,1]=4 586 B10R1.22 CC1=CC(=O)C=C(C1=O)C CNP0081563.0 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.22 CC1=CC(=O)C=C(C1=O)O CNP0106705.0 [1,1,0,0,0,0|1,0,0]=3 588 B10R1.22 NC1=CC(=C(C(=C1)O)O)N CNP0223457.0 [1,1,0,0,0,0|1,0,1]=4 589 B10R1.22 NC1=CC(=O)C=C(C1=O)O CNP0072657.0 [1,1,0,0,0,0|1,0,0]=3 590 B10R1.22 O=C1C=C(C(=O)C(=C1)Br)Br CNP0157909.0 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.22 O=C1C=C(C(=O)C(=C1)O)O CNP0322998.0 [1,1,0,0,0,0|1,0,0]=3 592 B10R1.22 OC1=CC(=C(C(=C1)Br)Br)O CNP0224842.0 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.22 OC1=CC(=C(C(=C1)O)Br)O CNP0173865.0 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.22 OC1=CC(=C(C(=C1)O)Cl)O CNP0254438.0 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.22 OC1=CC(=C(C(=C1)O)I)O CNP0053849.0 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.22 OC1=CC(=C(C(=C1)O)O)O CNP0134222.0 [1,1,0,0,0,0|1,0,1]=4 597 B10R1.22 OC1=CC(=CC(=C1O)Br)Br CNP0081702.0 [1,1,0,0,0,0|1,0,1]=4 598 B10R1.22 OC1=CC(=CC(=C1O)Cl)Cl CNP0598413.0 [1,1,0,0,0,0|1,0,1]=4 599 B10R1.118 CC1=C(C=C(C(=C1)C)C)C CNP0218764.0 [1,1,0,0,0,0|1,0,1]=4 600 B10R1.118 CC1=CC(=C(C=C1Br)C)Br CNP0024349.0 [1,1,0,0,0,0|1,0,1]=4 601 B10R1.118 CC1=CC(=C(C=C1C)N)N CNP0106845.0 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.118 CC1=CC(=C(C=C1C)O)C CNP0242109.0 [1,1,0,0,0,0|0,0,1]=3 603 B10R1.118 CC1=CC(=C(C=C1Cl)C)Cl CNP0062326.0 [1,1,0,0,0,0|1,0,1]=4 604 B10R1.118 CC1=CC(=C(C=C1O)C)O CNP0533659.0 [1,1,0,0,0,0|0,0,1]=3 605 B10R1.118 CC1=CC(=O)C(=CC1=O)C CNP0221747.0 [1,1,0,0,0,0|0,0,2]=4 606 B10R1.118 CC1=CC(=O)C(=CC1=O)O CNP0288982.0 [1,1,0,0,0,0|1,0,0]=3 607 B10R1.118 O=C1C=C(C(=O)C=C1O)O CNP0327645.0 [1,1,0,0,0,0|1,0,0]=3 608 B10R1.118 OC1=C(C=C(C(=C1)O)O)O CNP0611719.0 [1,1,0,0,0,0|1,0,1]=4 609 B10R1.118 OC1=CC(=C(C=C1Cl)O)Cl CNP0067457.0 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.118 OC1=CC(=C(C=C1O)Br)Br CNP0556999.0 [1,1,0,0,0,0|1,0,1]=4 611 B10R1.119 CC1=C(C(=O)C(=CO1)C)O CNP0126465.0 [1,1,0,0,0,0|1,0,1]=4 612 B10R1.119 CC1=C(C(=O)C=CC1=O)C CNP0252044.0 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.119 CC1=C(C(=O)C=CC1=O)O CNP0304817.0 [1,1,0,0,0,0|1,0,0]=3 614 B10R1.119 CC1=C(C(=O)C=CN1C)O CNP0409474.0 [1,1,0,0,0,0|1,0,0]=3 615 B10R1.119 CC1=C(C=CC(=C1O)O)O CNP0354287.0 [1,1,0,0,0,0|1,0,1]=4 616 B10R1.119 CC1=CC=C(C(=C1C)C)C CNP0376974.0 [1,1,0,0,0,0|1,0,1]=4 617 B10R1.119 CC1=CC=C(C(=C1C)O)C CNP0224100.0 [1,1,0,0,0,0|0,0,1]=3 618 B10R1.119 CC1=CC=C(C(=C1C)O)O CNP0352924.0 [1,1,0,0,0,0|0,0,1]=3 619 B10R1.119 CC1=CC=C(C(=C1Cl)C)S CNP0345116.0 [1,1,0,0,0,0|1,1,0]=4 620 B10R1.119 CC1=CC=C(C(=C1O)C)O CNP0142427.0 [1,1,0,0,0,0|1,0,1]=4 621 B10R1.119 CC1=CC=C(C(=C1O)O)C CNP0183636.0 [1,1,0,0,0,0|0,0,1]=3 622 B10R1.119 O=C1C=CC(=O)C(=C1O)O CNP0263917.0 [1,1,0,0,0,0|1,0,0]=3 623 B10R1.119 OC1=C(C=CC(=C1O)Cl)Cl CNP0043594.0 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.119 OC1=CC=C(C(=C1Br)O)Br CNP0192123.0 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.119 OC1=CC=C(C(=C1O)O)O CNP0189021.0 [1,1,0,0,0,0|1,0,1]=4 626 B10R1.35 COC1=CC(=C(O1)C=O)C CNP0484703.0 [0,1,0,0,1,0|2,0,0]=4 627 B10R1.59 CC(=O)C1=C(OC(=C1)C)C CNP0003652.0 [0,1,0,0,1,0|2,0,0]=4 628 B10R1.59 CC(=O)C1=C(SC(=C1)C)C CNP0002469.0 [0,1,0,0,1,0|2,0,0]=4 629 B10R1.194 CC1=C(C(=CO1)C(=O)O)O CNP0507263.0 [0,1,0,0,1,0|1,0,0]=3 630 B12R1.57 C=C(C)C1=CC=C(C=C1OC)C CNP0333087.0 [0,2,0,0,0,0|1,0,0]=3 631 B12R1.57 COC1=CC(=CC=C1C(=O)C)C CNP0305290.0 [0,2,0,0,0,0|0,0,0]=2 632 B12R1.57 COC1=CC(=CC=C1C(=O)C)O CNP0146399.0 [0,2,0,0,0,0|1,0,0]=3 633 B12R1.57 COC1=CC(=CC=C1C(=O)O)O CNP0174648.0 [0,2,0,0,0,0|1,0,0]=3 634 B12R1.57 COC1=CC(=CC=C1C(C)C)C CNP0280563.0 [0,2,0,0,0,0|1,0,1]=4 635 B12R1.57 COC1=CC(=CC=C1[N+](=O)[O-])N CNP0537552.0 [0,2,0,0,0,0|2,0,0]=4 636 B12R1.78 C=CC1=CC=C(C=C1OC)OC CNP0270983.0 [0,2,0,0,0,0|1,0,0]=3 637 B12R1.78 CCC1=CC=C(C(=C1)OC)OC CNP0104859.0 [0,2,0,0,0,0|2,0,0]=4 638 B12R1.78 COC1=CC=C(C(=C1)OC)C#N CNP0189009.0 [0,2,0,0,0,0|1,0,1]=4 639 B12R1.78 COC1=CC=C(C(=C1)OC)C=O CNP0303686.0 [0,2,0,0,0,0|0,0,0]=2 640 B12R1.78 COC1=CC=C(C(=C1)OC)OC CNP0327068.0 [0,2,0,0,0,0|2,0,0]=4 641 B12R1.78 COC1=CC=C(C=C1OC)CCl CNP0479327.0 [0,2,0,0,0,0|2,0,0]=4 642 B12R1.78 COC1=CC=C(C=C1OC)CO CNP0202849.0 [0,2,0,0,0,0|2,0,0]=4 643 B12R1.234 COC1=CC(=CC(=C1C=O)C)O CNP0131937.0 [0,2,0,0,0,0|1,0,0]=3 644 B12R1.234 O=CC1=C(C=C(C=C1CO)O)O CNP0279166.0 [0,2,0,0,0,0|1,0,0]=3 645 B12R1.448 COC1=CC(=C(C=C1OC)O)C CNP0611541.0 [0,2,0,0,0,0|2,0,0]=4 646 B12R1.652 CC1=NC=C(C(=C1O)CO)C=O CNP0048630.0 [0,2,0,0,0,0|1,0,0]=3 647 B12R1.652 O=CC1=CC=C(C(=C1C=O)O)O CNP0403615.0 [0,2,0,0,0,0|1,0,1]=4 648 B12R1.1897 CC1=CC(C(=CC1=O)C=O)(C)C CNP0239732.0 [0,2,0,0,0,0|1,0,1]=4 649 B12R1.1988 CC1=CC=C(C(C1=O)(C)C)C=O CNP0170806.0 [0,2,0,0,0,0|1,0,1]=4 650 B12R1.114 C=CCC1=CC=C(C=C1O)OC CNP0106128.0 [0,2,0,0,0,0|1,0,0]=3 651 B12R1.114 CC=CC1=CC=C(C=C1O)OC CNP0526472.0 [0,2,0,0,0,0|1,0,0]=3 652 B12R1.114 CCOC1=CC=C(C=C1O)CO CNP0221615.0 [0,2,0,0,0,0|1,0,1]=4 653 B12R1.233 CC(=O)C[N+]1=CC=C(C=C1N)C CNP0582914.0 [0,2,0,0,0,0|2,0,0]=4 654 B12R1.233 CC(=O)NC1=CC=C(C=C1C)C CNP0024058.0 [0,2,0,0,0,0|1,0,0]=3 655 B12R1.233 CC(=O)NC1=CC=C(C=C1C)Cl CNP0052006.0 [0,2,0,0,0,0|2,0,0]=4 656 B12R1.233 CC(=O)NC1=CC=C(C=C1Cl)Br CNP0055151.0 [0,2,0,0,0,0|2,0,0]=4 657 B12R1.233 CC(=O)NC1=CC=C(C=C1O)C CNP0038952.0 [0,2,0,0,0,0|0,0,0]=2 658 B12R1.233 CC(=O)NC1=CC=C(C=C1O)Cl CNP0039766.0 [0,2,0,0,0,0|1,0,0]=3 659 B12R1.233 CC(=O)OC1=CC=C(C=C1Br)Br CNP0200680.0 [0,2,0,0,0,0|2,0,0]=4 660 B12R1.233 CC(=O)OC1=CC=C(C=C1C)O CNP0077014.0 [0,2,0,0,0,0|2,0,0]=4 661 B12R1.233 O=C(O)CC1=CC=C(C=C1O)O CNP0153620.0 [0,2,0,0,0,0|1,0,0]=3 662 B12R1.1703 C=C(CO)C1=CC=C(C=C1O)C CNP0106917.0 [0,2,0,0,0,0|0,0,1]=3 663 B12R1.1703 CC(=NO)C1=CC=C(C=C1O)C CNP0366379.0 [0,2,0,0,0,0|0,0,1]=3 664 B12R1.1703 CC(=NO)C1=CC=C(C=C1O)O CNP0203065.0 [0,2,0,0,0,0|1,0,1]=4 665 B12R1.1703 CC1=CC=C(C(=C1)O)[C@H](C)CO CNP0160693.1 [0,2,0,0,0,0|0,0,2]=4 666 B12R1.1703 CCC(=O)C1=CC=C(C=C1C)C CNP0099963.0 [0,2,0,0,0,0|1,0,0]=3 667 B12R1.1703 COC(=O)C1=CC=C(C=C1C)O CNP0298795.0 [0,2,0,0,0,0|2,0,0]=4 668 B12R1.1703 COC(=O)C1=CC=C(C=C1N)Cl CNP0168201.0 [0,2,0,0,0,0|2,0,0]=4 669 B12R1.1703 COC(=O)C1=CC=C(C=C1O)N CNP0026548.0 [0,2,0,0,0,0|1,0,0]=3 670 B12R1.1703 COC(=O)C1=CC=C(C=C1O)O CNP0316033.0 [0,2,0,0,0,0|1,0,0]=3 671 B12R1.1703 NNC(=O)C1=CC=C(C=C1Cl)Cl CNP0071041.0 [0,2,0,0,0,0|2,0,0]=4 672 B12R1.1703 O=C(CCl)C1=CC=C(C=C1O)O CNP0037880.0 [0,2,0,0,0,0|1,0,0]=3 673 B12R1.126 CC1=CC=C(C(=C1)O)C(C)(C)C CNP0173144.0 [0,2,0,0,0,0|1,0,1]=4 674 B12R1.126 CC1=CC=C(C(=C1)O)C(C)(C)O CNP0116220.0 [0,2,0,0,0,0|0,0,2]=4 675 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C CNP0579678.0 [0,2,0,0,0,0|0,0,0]=2 676 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O CNP0136455.0 [0,2,0,0,0,0|0,0,0]=2 677 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)C CNP0284124.0 [0,2,0,0,0,0|1,0,0]=3 678 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)O CNP0243066.0 [0,2,0,0,0,0|1,0,0]=3 679 B12R1.232 CC1=CC(=C(C=C1Br)C)C(=O)O CNP0462913.0 [0,2,0,0,0,0|2,0,0]=4 680 B12R1.232 CC1=CC(=C(C=C1C)C(=O)O)C CNP0171746.0 [0,2,0,0,0,0|1,0,0]=3 681 B12R1.232 CC1=CC(=C(C=C1O)C(C)C)O CNP0224526.0 [0,2,0,0,0,0|1,0,1]=4 682 B12R1.232 NC1=CC(=C(C=C1C(=O)O)O)O CNP0323910.0 [0,2,0,0,0,0|2,0,0]=4 683 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O CNP0129962.0 [0,2,0,0,0,0|1,0,0]=3 684 B12R1.452 CC(=O)C1=CC=C(C=C1O)CO CNP0111501.0 [0,2,0,0,0,0|0,0,0]=2 685 B12R1.452 CC(C)C1=CC=C(C=C1O)CO CNP0290057.0 [0,2,0,0,0,0|1,0,1]=4 686 B12R1.452 COC1=CC=C(C(=C1)C)C(=O)O CNP0457363.0 [0,2,0,0,0,0|1,0,0]=3 687 B12R1.452 COC1=CC=C(C(=C1)C)[N+](=O)[O-] CNP0580280.0 [0,2,0,0,0,0|2,0,0]=4 688 B12R1.452 COC1=CC=C(C(=C1)N)[N+](=O)[O-] CNP0479154.0 [0,2,0,0,0,0|2,0,0]=4 689 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)C CNP0324617.0 [0,2,0,0,0,0|0,0,0]=2 690 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)N CNP0206095.0 [0,2,0,0,0,0|0,0,0]=2 691 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)O CNP0102420.0 [0,2,0,0,0,0|0,0,0]=2 692 B12R1.893 CC(=O)C1=CC=C(C(=C1C)C)C CNP0584174.0 [0,2,0,0,0,0|1,0,0]=3 693 B12R1.893 CC(=O)C1=CC=C(C(=C1O)C)O CNP0289312.0 [0,2,0,0,0,0|1,0,0]=3 694 B12R1.893 CC(=O)C1=CC=C(C(=C1O)O)O CNP0213966.0 [0,2,0,0,0,0|1,0,0]=3 695 B12R1.893 CC1=C(C=CC(=C1O)O)C(=O)O CNP0481433.0 [0,2,0,0,0,0|2,0,0]=4 696 B12R1.893 CC1=C(C=CC(=C1O)[N+](=O)[O-])O CNP0487415.0 [0,2,0,0,0,0|2,0,0]=4 697 B12R1.893 CC1=CC=C(C(=C1C)C)C(=O)O CNP0133340.0 [0,2,0,0,0,0|1,0,0]=3 698 B12R1.893 CC1=CC=C(C(=C1O)N)C(=O)O CNP0239974.0 [0,2,0,0,0,0|1,0,0]=3 699 B12R1.893 CC1=CC=C(C(=C1O)O)C(C)C CNP0298407.0 [0,2,0,0,0,0|1,0,1]=4 700 B12R1.893 NC1=C(C=CC(=C1O)Cl)C(=O)O CNP0571729.0 [0,2,0,0,0,0|2,0,0]=4 701 B12R1.893 O=C(O)C1=C(C(=O)C(=CO1)O)O CNP0274161.0 [0,2,0,0,0,0|2,0,0]=4 702 B12R1.893 O=C(O)C1=CC=C(C(=C1O)O)O CNP0165116.0 [0,2,0,0,0,0|1,0,0]=3 703 B12R1.1000 CC(=N)C1=C(C=C(OC1=O)C)O CNP0074250.0 [0,2,0,0,0,0|2,0,0]=4 704 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)C)O CNP0488335.0 [0,2,0,0,0,0|0,0,0]=2 705 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)C CNP0142841.0 [0,2,0,0,0,0|1,0,0]=3 706 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O CNP0255105.0 [0,2,0,0,0,0|1,0,0]=3 707 B12R1.1000 CC(=O)C1=C(C=C(OC1=O)C)O CNP0309619.0 [0,2,0,0,0,0|1,0,0]=3 708 B12R1.1000 CC(=O)C1=C(OC(=CC1=O)C)O CNP0290556.0 [0,2,0,0,0,0|1,0,0]=3 709 B12R1.1000 CC(=O)C1=C(OC(=CC1=O)C)[O-] CNP0531327.0 [0,2,0,0,0,0|1,0,1]=4 710 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)Cl)C CNP0037744.0 [0,2,0,0,0,0|1,0,0]=3 711 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)O)C CNP0444261.0 [0,2,0,0,0,0|1,0,0]=3 712 B12R1.1000 CC1=CC(=C(C(=C1)O)C(=O)O)O CNP0244321.0 [0,2,0,0,0,0|0,0,0]=2 713 B12R1.1000 CC1=CC(=C(C(=N1)C)C(=O)O)C CNP0551550.0 [0,2,0,0,0,0|2,0,0]=4 714 B12R1.1000 CC1=CC(=C(C(=N1)N)C(=O)O)C CNP0236536.0 [0,2,0,0,0,0|2,0,0]=4 715 B12R1.1000 CC1=CC(=CC(=C1C(=O)O)O)O CNP0194999.0 [0,2,0,0,0,0|1,0,0]=3 716 B12R1.1000 O=C(O)C1=C(C=C(C=C1O)O)O CNP0288966.0 [0,2,0,0,0,0|1,0,0]=3 717 B12R1.14 CC1=CC(=C(C(=C1C)C)C)C=O CNP0609155.0 [0,2,0,0,0,0|1,0,0]=3 718 B12R1.14 COC1=CC(=C(C(=C1O)O)C)O CNP0250808.0 [0,2,0,0,0,0|2,0,0]=4 719 B12R1.14 O=CC1=CC(=C(C(=C1Br)Br)O)Br CNP0345094.0 [0,2,0,0,0,0|2,0,0]=4 720 B12R1.14 O=CC1=CC(=C(C(=C1Br)Br)O)O CNP0296949.0 [0,2,0,0,0,0|2,0,0]=4 721 B12R1.14 O=CC1=CC(=C(C(=C1Br)O)O)Br CNP0413869.0 [0,2,0,0,0,0|2,0,0]=4 722 B12R1.98 CC1=C(C=C(C(=C1C)C=O)O)O CNP0130042.0 [0,2,0,0,0,0|1,0,0]=3 723 B12R1.98 CC1=CC(=C(C(=C1C=O)O)C)O CNP0150662.0 [0,2,0,0,0,0|1,0,0]=3 724 B12R1.98 CC1=CC(=C(C(=C1Cl)O)C=O)O CNP0293373.0 [0,2,0,0,0,0|0,0,0]=2 725 B12R1.98 COC1=C(C(=O)C(=CC1=O)C)O CNP0304377.0 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.98 COC1=C(C=C(C(=C1O)O)C)O CNP0170903.0 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.449 COC1=CC(=C(C=C1O)Br)C=O CNP0403804.0 [0,2,0,0,0,0|2,0,0]=4 728 B12R1.449 COC1=CC(=C(C=C1O)Cl)C=O CNP0154420.0 [0,2,0,0,0,0|2,0,0]=4 729 B12R1.449 NC1=CC(=C(C=C1C=O)C=O)N CNP0039652.0 [0,2,0,0,0,0|2,0,0]=4 730 B12R1.449 O=CC1=CC(=C(C=C1O)O)C=O CNP0039377.0 [0,2,0,0,0,0|1,0,0]=3 731 B12R1.450 COC1=CC(=C(C=C1C)C=O)C CNP0330103.0 [0,2,0,0,0,0|1,0,0]=3 732 B12R1.450 COC1=CC(=C(C=C1O)C=O)O CNP0579091.0 [0,2,0,0,0,0|0,0,0]=2 733 B12R1.450 COC1=CC(=C(C=C1O)OC)O CNP0571520.0 [0,2,0,0,0,0|2,0,0]=4 734 B12R1.653 C=CC1=CC=C(C(=C1O)O)OC CNP0422952.0 [0,2,0,0,0,0|1,0,0]=3 735 B12R1.653 COC1=CC=C(C(=C1C)C)C=O CNP0026563.0 [0,2,0,0,0,0|1,0,0]=3 736 B12R1.653 COC1=CC=C(C(=C1O)O)C=O CNP0224833.0 [0,2,0,0,0,0|0,0,0]=2 737 B12R1.653 COC1=CC=C(C(=C1O)O)OC CNP0075796.0 [0,2,0,0,0,0|2,0,0]=4 738 B12R1.48 CC(C)C1=CC=C(C(=C1)O)C=O CNP0136074.0 [0,2,0,0,0,0|0,0,0]=2 739 B12R1.48 COC1=CC=C(C=C1O)C(=O)C CNP0215048.0 [0,2,0,0,0,0|2,0,0]=4 740 B12R1.288 C=CCC1=CC=C(C(=C1)O)OC CNP0181536.0 [0,2,0,0,0,0|2,0,0]=4 741 B12R1.288 CC=CC1=CC=C(C(=C1)O)OC CNP0299210.0 [0,2,0,0,0,0|2,0,0]=4 742 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CNP0214353.0 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.288 COC1=CC=C(C=C1O)CCN CNP0246187.0 [0,2,0,0,0,0|2,0,0]=4 744 B12R1.288 COC1=CC=C(C=C1O)CCO CNP0076040.0 [0,2,0,0,0,0|2,0,0]=4 745 B12R1.301 CC1=CC(=CC(=C1C=O)O)CO CNP0539021.0 [0,2,0,0,0,0|0,0,0]=2 746 B12R1.301 COC1=C(C=C(C=C1Br)CO)O CNP0134246.0 [0,2,0,0,0,0|2,0,0]=4 747 B12R1.301 COC1=C(C=C(C=C1O)CO)O CNP0164196.0 [0,2,0,0,0,0|2,0,0]=4 748 B12R1.301 COC1=CC(=C(C(=C1)O)C=O)C CNP0205790.0 [0,2,0,0,0,0|0,0,0]=2 749 B12R1.301 COC1=CC(=C(C(=C1)O)OC)O CNP0238336.0 [0,2,0,0,0,0|2,0,0]=4 750 B10R1.10 CC=CC1=CC=CC(=O)O1 CNP0113670.0 [0,0,1,1,0,0|2,0,0]=4 751 B10R1.27 CC(=CC1=CC=CO1)C=O CNP0085269.0 [0,0,1,1,0,0|2,0,0]=4 752 B10R2.7 B1OC2=CC=CC=C2O1 CNP0578277.0 [1,0,0,1,0,0|2,0,0]=4 753 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [1,0,0,1,0,0|2,0,0]=4 754 B10R2.7 C1=CC2=CC=CC=C2[N]1 CNP0479391.0 [1,0,0,1,0,0|2,0,0]=4 755 B10R2.7 C1=CC2=COC=C2C=C1 CNP0531832.0 [1,0,0,1,0,0|1,0,1]=4 756 B10R2.7 C1=CC2=CON=C2C=C1 CNP0552561.0 [1,0,0,1,0,0|1,0,1]=4 757 B10R2.7 C1=CC2=CSC=C2C=C1 CNP0596171.0 [1,0,0,1,0,0|1,1,0]=4 758 B10R2.7 C1=CC=C2NC=CC2=C1 CNP0118430.0 [1,0,0,1,0,0|2,0,0]=4 759 B10R2.7 C1=CC=C2NN=CC2=C1 CNP0438721.0 [1,0,0,1,0,0|2,0,0]=4 760 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [1,0,0,1,0,0|1,0,0]=3 761 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [1,0,0,1,0,0|2,0,0]=4 762 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [1,0,0,1,0,0|1,0,1]=4 763 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [1,0,0,1,0,0|2,0,0]=4 764 B10R2.7 C1=CC=C2SC=CC2=C1 CNP0172612.0 [1,0,0,1,0,0|1,1,0]=4 765 B10R2.7 C1=CC=C2SN=CC2=C1 CNP0551467.0 [1,0,0,1,0,0|1,1,0]=4 766 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [1,0,0,1,0,0|1,0,0]=3 767 B12R2.24 CC1=CC=C2C=CC=CC2=C1 CNP0213194.0 [0,1,0,1,0,0|2,0,0]=4 768 B12R2.24 CC1=CC=C2C=CC=NC2=C1 CNP0141465.0 [0,1,0,1,0,0|2,0,0]=4 769 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CNP0266426.0 [0,1,0,1,0,0|2,0,0]=4 770 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CNP0300772.0 [0,1,0,1,0,0|2,0,0]=4 771 B12R2.24 CC1=CC=C2N=CC=NC2=C1 CNP0194351.0 [0,1,0,1,0,0|2,0,0]=4 772 B12R2.24 [11CH3]C1=CC=C2C=CC=CC2=C1 CNP0527809.0 [0,1,0,1,0,0|2,0,0]=4 773 B12R2.132 CC1=CC=C2C=NN(C2=C1)C CNP0609157.0 [0,1,0,1,0,0|2,0,0]=4 774 B12R2.612 CC1=CC2=NNC(=C2C=C1)C CNP0075999.0 [0,1,0,1,0,0|2,0,0]=4 775 B12R2.612 CC1=CC2=NO[N+](=C2C=C1)[O-] CNP0549955.0 [0,1,0,1,0,0|1,0,1]=4 776 B12R2.612 CC1=CC=C2C(=C1)OC[C@H]2C CNP0185437.1 [0,1,0,1,0,0|1,0,1]=4 777 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 CNP0313972.0 [0,1,0,1,0,0|1,0,0]=3 778 B12R2.612 CC1=CC=C2C(=O)OCC2=C1 CNP0525702.0 [0,1,0,1,0,0|0,0,0]=2 779 B12R2.612 O=C1CCC2=CC(=CC=C12)O CNP0499088.0 [0,1,0,1,0,0|2,0,0]=4 780 B12R2.612 O=C1COC2=CC(=CC=C12)O CNP0333641.0 [0,1,0,1,0,0|1,0,0]=3 781 B12R2.612 O=C1NOC2=CC(=CC=C12)O CNP0499269.0 [0,1,0,1,0,0|1,0,0]=3 782 B12R2.612 OC1=CC=C2C(=NOC2=C1)O CNP0334574.0 [0,1,0,1,0,0|1,0,1]=4 783 B12R2.246 CC1=CC(=C2CCCC2=C1)O CNP0201391.0 [0,1,0,1,0,0|1,0,1]=4 784 B12R2.246 CC1=CC(=C2OC=CC2=C1)C CNP0283975.0 [0,1,0,1,0,0|2,0,0]=4 785 B12R2.246 OC1=CC(=C2C=CNC2=C1)O CNP0341994.0 [0,1,0,1,0,0|2,0,0]=4 786 B12R2.606 CC1=CC2=CC(=O)OC2=CO1 CNP0522560.0 [0,1,0,1,0,0|2,0,0]=4 787 B12R2.606 CC1=CC=C2N=C(SC2=C1)N CNP0065515.0 [0,1,0,1,0,0|1,1,0]=4 788 B12R2.606 O=C1CC2=CC(=CC=C2N1)Br CNP0029487.0 [0,1,0,1,0,0|2,0,0]=4 789 B12R2.606 O=C1CC2=CC(=CC=C2N1)Cl CNP0609117.0 [0,1,0,1,0,0|2,0,0]=4 790 B12R2.606 O=C1CC2=CC(=CC=C2N1)O CNP0080133.0 [0,1,0,1,0,0|2,0,0]=4 791 B12R2.606 O=C1CC2=CC(=CC=C2O1)O CNP0197068.0 [0,1,0,1,0,0|2,0,0]=4 792 B12R2.606 O=C1CC2=CC=C(C=C2N1)Br CNP0170267.0 [0,1,0,1,0,0|2,0,0]=4 793 B12R2.606 O=C1CC2=CC=C(C=C2N1)O CNP0215355.0 [0,1,0,1,0,0|2,0,0]=4 794 B12R2.606 O=C1CC2=CC=C(C=C2O1)O CNP0517521.0 [0,1,0,1,0,0|1,0,0]=3 795 B12R2.606 O=C1NC2=CC(=CC=C2O1)Cl CNP0486668.0 [0,1,0,1,0,0|2,0,0]=4 796 B12R2.606 O=C1NC2=CC=C(C=C2O1)O CNP0377919.0 [0,1,0,1,0,0|1,0,0]=3 797 B12R2.606 O=C1NC2=CC=C(C=C2S1)O CNP0192870.0 [0,1,0,1,0,0|1,1,0]=4 798 B12R2.606 O=C1OC2=CC(=CC=C2S1)O CNP0374905.0 [0,1,0,1,0,0|1,0,0]=3 799 B12R2.3028 CC1=CC(=C2C(=O)CC2=C1)C CNP0342183.0 [0,1,0,1,0,0|1,0,0]=3 800 B12R2.100 CC1=CC2=C(C=C1C)OC=C2 CNP0161352.0 [0,1,0,1,0,0|1,0,0]=3 801 B12R2.44 COC1=CC=C2C=COC2=C1 CNP0337609.0 [0,1,0,1,0,0|1,0,0]=3 802 B12R2.44 O=CC1=CC=C2C=COC2=C1 CNP0203335.0 [0,1,0,1,0,0|1,0,1]=4 803 B12R2.44 OCC1=CC=C2OCOC2=C1 CNP0392701.0 [0,1,0,1,0,0|2,0,0]=4 804 B12R2.2107 COC1=CC=C2C(=O)CC2=C1 CNP0182366.0 [0,1,0,1,0,0|1,0,0]=3 805 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [1,0,0,0,1,0|1,0,0]=3 806 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [1,0,0,0,1,0|1,0,0]=3 807 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [1,0,0,0,1,0|1,0,0]=3 808 B8R1.1 O=CC1=CC=C(O1)O CNP0326852.0 [1,0,0,0,1,0|2,0,0]=4 809 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [1,0,0,0,1,0|2,0,0]=4 810 B8R1.11 CN1C=CC=C1C=O CNP0330162.0 [1,0,0,0,1,0|2,0,0]=4 811 B8R1.18 CC1C=C(C(=O)O1)O CNP0612035.0 [1,0,0,0,1,0|1,0,1]=4 812 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [1,0,0,0,1,0|0,0,2]=4 813 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [1,0,0,0,1,0|0,0,2]=4 814 B8R1.50 CC1=C(C(=O)CO1)O CNP0262412.0 [1,0,0,0,1,0|1,0,1]=4 815 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [1,0,0,0,1,0|1,0,1]=4 816 B8R1.50 O=C1C=CC(=C1O)O CNP0105932.0 [1,0,0,0,1,0|1,0,0]=3 817 B10R0.77 CC=C(C=O)C=CC=C(C)C CNP0248362.0 [0,0,1,0,0,1|1,0,1]=4