0 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [0,0,0,0,0,0|1,0,1]=2 2 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.2 C=CC1=CCC=CC1 CNP0573497.0 [0,0,0,0,0,0|1,0,2]=3 6 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [0,0,0,0,0,0|1,0,1]=2 8 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [0,0,0,0,0,0|2,0,1]=3 10 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [0,0,0,0,0,0|2,0,1]=3 17 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [0,0,0,0,0,0|2,0,0]=2 19 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [0,0,0,0,0,0|1,0,1]=2 21 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [0,0,0,0,0,0|1,0,1]=2 22 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [0,0,0,0,0,0|2,0,1]=3 23 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [0,0,0,0,0,0|2,0,1]=3 24 B8R1.2 N#CC1=CC=NC=C1 CNP0375790.0 [0,0,0,0,0,0|2,0,1]=3 25 B8R1.2 N#CC1=CN=CC=N1 CNP0023913.0 [0,0,0,0,0,0|3,0,1]=4 26 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [0,0,0,0,0,0|1,0,1]=2 27 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [0,0,0,0,0,0|2,0,1]=3 28 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [0,0,0,0,0,0|2,0,0]=2 29 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [0,0,0,0,0,0|0,0,0]=0 31 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [0,0,0,0,0,0|1,0,0]=1 32 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [0,0,0,0,0,0|0,0,2]=2 33 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [0,0,0,0,0,0|1,0,0]=1 34 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [0,0,0,0,0,0|0,0,4]=4 35 B8R1.2 O=CC1CC=CCC1 CNP0106039.0 [0,0,0,0,0,0|0,0,4]=4 36 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [0,0,0,0,0,0|1,0,0]=1 37 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [0,0,0,0,0,0|2,0,0]=2 38 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [0,0,0,0,0,0|0,0,2]=2 39 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [0,0,0,0,0,0|0,0,4]=4 40 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [0,0,0,0,0,0|1,0,2]=3 41 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [0,0,0,0,0,0|1,0,2]=3 42 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [0,0,0,0,0,0|0,1,0]=1 43 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [0,0,0,0,0,0|0,1,1]=2 44 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [0,0,0,0,0,0|1,1,1]=3 45 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [0,0,0,0,0,0|1,1,1]=3 46 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [0,0,0,0,0,0|2,1,1]=4 47 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [0,0,0,0,0,0|0,0,2]=2 48 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [0,0,0,0,0,0|1,0,1]=2 49 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [1,0,0,0,0,0|1,0,0]=2 50 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [1,0,0,0,0,0|0,0,1]=2 51 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [1,0,0,0,0,0|0,0,1]=2 52 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [1,0,0,0,0,0|1,0,1]=3 53 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [1,0,0,0,0,0|0,0,3]=4 54 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [1,0,0,0,0,0|1,0,1]=3 55 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [1,0,0,0,0,0|1,0,1]=3 56 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [1,0,0,0,0,0|2,0,1]=4 57 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [1,0,0,0,0,0|0,0,3]=4 58 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [1,0,0,0,0,0|2,0,1]=4 59 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [1,0,0,0,0,0|1,0,2]=4 60 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [1,0,0,0,0,0|1,0,2]=4 61 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [1,0,0,0,0,0|1,0,1]=3 62 B7R1.3 C[N+]1=CC=NC=C1 CNP0506920.0 [1,0,0,0,0,0|2,0,1]=4 63 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [1,0,0,0,0,0|1,0,0]=2 64 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [1,0,0,0,0,0|1,0,0]=2 65 B7R1.3 IC1=CC=NC=C1 CNP0582917.0 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.3 N=C1C=CNC=C1 CNP0283346.0 [1,0,0,0,0,0|2,0,0]=3 67 B7R1.3 N=C1N=CC=CN1 CNP0547270.0 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [1,0,0,0,0,0|1,0,0]=2 69 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [1,0,0,0,0,0|2,0,0]=3 70 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.3 NC1=CC=NC=C1 CNP0484010.0 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.3 NC1=CC=[NH+]C=C1 CNP0584651.0 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.3 NC1=NC=CC=N1 CNP0050183.0 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [1,0,0,0,0,0|0,0,1]=2 75 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [1,0,0,0,0,0|1,0,0]=2 76 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [1,0,0,0,0,0|1,0,0]=2 77 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [1,0,0,0,0,0|0,0,3]=4 79 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [1,0,0,0,0,0|1,0,2]=4 80 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [1,0,0,0,0,0|1,0,0]=2 81 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [1,0,0,0,0,0|1,0,0]=2 82 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [1,0,0,0,0,0|0,0,3]=4 84 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [1,0,0,0,0,0|1,0,2]=4 85 B7R1.3 O=C1CSC=CN1 CNP0032695.0 [1,0,0,0,0,0|2,0,1]=4 86 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [1,0,0,0,0,0|0,0,1]=2 87 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [1,0,0,0,0,0|1,0,1]=3 88 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [1,0,0,0,0,0|1,0,1]=3 89 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [1,0,0,0,0,0|1,0,1]=3 90 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [1,0,0,0,0,0|0,1,0]=2 91 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [1,0,0,0,0,0|1,1,0]=3 92 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [0,1,0,0,0,0|1,0,0]=2 93 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [0,1,0,0,0,0|1,0,0]=2 94 B9R1.1 C=CC1=CN=C(C=N1)C CNP0137155.0 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [0,1,0,0,0,0|1,0,1]=3 96 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [0,1,0,0,0,0|0,0,0]=1 97 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [0,1,0,0,0,0|0,0,2]=3 98 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [0,1,0,0,0,0|1,0,0]=2 99 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [0,1,0,0,0,0|1,0,0]=2 100 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [0,1,0,0,0,0|1,0,1]=3 101 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [0,1,0,0,0,0|1,0,1]=3 102 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [0,1,0,0,0,0|1,0,1]=3 103 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [0,1,0,0,0,0|1,0,1]=3 104 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [0,1,0,0,0,0|2,0,1]=4 105 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.1 CCN1C=CC(=N)C=C1 CNP0467750.0 [0,1,0,0,0,0|2,0,1]=4 107 B9R1.1 CCN1C=CC(=[N])C=C1 CNP0554973.0 [0,1,0,0,0,0|2,0,1]=4 108 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [0,1,0,0,0,0|2,0,0]=3 112 B9R1.1 N#CC1=CC=C(C=C1)N CNP0174653.0 [0,1,0,0,0,0|1,0,1]=3 113 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [0,1,0,0,0,0|1,0,1]=3 114 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.1 N#[N+]C1=CC=C(C=C1)[O-] CNP0612185.0 [0,1,0,0,0,0|2,0,0]=3 116 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [0,1,0,0,0,0|0,0,0]=1 117 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [0,1,0,0,0,0|1,0,1]=3 118 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [0,1,0,0,0,0|0,0,0]=1 119 B9R1.1 O=CC1=CC=C(OC1)O CNP0334419.0 [0,1,0,0,0,0|1,0,1]=3 120 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [0,1,0,0,0,0|1,0,0]=2 121 B9R1.1 O=NC1=CC=C(C=N1)Br CNP0417097.0 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.1 O=NC1=CC=C(C=N1)Cl CNP0071252.0 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [0,1,0,0,0,0|0,0,2]=3 124 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [0,1,0,0,0,0|0,0,2]=3 125 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [0,1,0,0,0,0|1,0,2]=4 126 B9R1.1 [N-]=[N+]=C1C=CC(=O)C=C1 CNP0540787.0 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.2 C=CC1=CN=CC(=N1)C CNP0169633.0 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [0,1,0,0,0,0|1,0,1]=3 129 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [0,1,0,0,0,0|0,0,0]=1 130 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [0,1,0,0,0,0|1,0,1]=3 131 B9R1.2 CC1=CC=CC(=N1)C#N CNP0366489.0 [0,1,0,0,0,0|2,0,1]=4 132 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.2 CC1=CC=NC(=C1)C#N CNP0068473.0 [0,1,0,0,0,0|2,0,1]=4 134 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [0,1,0,0,0,0|2,0,1]=4 136 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [0,1,0,0,0,0|1,0,1]=3 137 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [0,1,0,0,0,0|1,0,1]=3 138 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [0,1,0,0,0,0|2,0,1]=4 139 B9R1.2 CCC1=CC=C[N+](=C1)[O-] CNP0497622.0 [0,1,0,0,0,0|2,0,1]=4 140 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [0,1,0,0,0,0|2,0,1]=4 141 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [0,1,0,0,0,0|2,0,1]=4 142 B9R1.2 COC1=CC(=O)OC=C1 CNP0507219.0 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.2 C[N+]1=CC=CC(=C1)C#N CNP0552740.0 [0,1,0,0,0,0|2,0,1]=4 148 B9R1.2 N#CC1=CC=CC(=C1)Br CNP0017704.0 [0,1,0,0,0,0|1,0,1]=3 149 B9R1.2 N#CC1=CC=CC(=C1)O CNP0104146.0 [0,1,0,0,0,0|1,0,1]=3 150 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [0,1,0,0,0,0|1,0,1]=3 151 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [0,1,0,0,0,0|0,0,0]=1 152 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [0,1,0,0,0,0|0,0,0]=1 153 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [0,1,0,0,0,0|0,0,2]=3 154 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [0,1,0,0,0,0|0,0,2]=3 155 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [0,1,0,0,0,0|1,0,0]=2 156 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [0,1,0,0,0,0|0,0,0]=1 159 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [0,1,0,0,0,0|1,0,0]=2 160 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [0,1,0,0,0,0|1,0,0]=2 161 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [0,1,0,0,0,0|1,0,0]=2 162 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [0,1,0,0,0,0|1,0,1]=3 164 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [0,1,0,0,0,0|2,0,1]=4 165 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.6 CN(C)C1=CC=NC=C1 CNP0362397.0 [0,1,0,0,0,0|3,0,0]=4 167 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [0,1,0,0,0,0|1,0,1]=3 168 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [0,1,0,0,0,0|0,0,2]=3 169 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [0,1,0,0,0,0|1,0,1]=3 170 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [0,1,0,0,0,0|0,0,2]=3 171 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [0,1,0,0,0,0|1,0,1]=3 172 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [0,1,0,0,0,0|1,0,0]=2 173 B9R1.6 N=C(S)C1=CC=CN=C1 CNP0553237.0 [0,1,0,0,0,0|1,1,0]=3 174 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [0,1,0,0,0,0|0,0,0]=1 175 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [0,1,0,0,0,0|1,0,0]=2 176 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [0,1,0,0,0,0|1,0,0]=2 177 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [0,1,0,0,0,0|1,0,0]=2 178 B9R1.6 NC(=O)C1=CN=CC=N1 CNP0559029.0 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.6 NC(=S)C1=CC=CN=C1 CNP0184066.0 [0,1,0,0,0,0|1,1,0]=3 180 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [0,1,0,0,0,0|1,0,0]=2 181 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [0,1,0,0,0,0|1,0,0]=2 182 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [0,1,0,0,0,0|1,0,0]=2 183 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [0,1,0,0,0,0|0,0,0]=1 184 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [0,1,0,0,0,0|1,0,0]=2 185 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [0,1,0,0,0,0|1,0,0]=2 186 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [0,1,0,0,0,0|1,0,0]=2 187 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [0,1,0,0,0,0|2,0,0]=3 188 B9R1.6 O=C(O)C1=NC=COC1 CNP0348069.0 [0,1,0,0,0,0|2,0,1]=4 189 B9R1.6 O=C(O)C1C=CCN=C1 CNP0025301.0 [0,1,0,0,0,0|1,0,2]=4 190 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [0,1,0,0,0,0|0,0,0]=1 191 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [0,1,0,0,0,0|0,0,0]=1 192 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [0,1,0,0,0,0|0,0,0]=1 193 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [0,1,0,0,0,0|0,0,0]=1 194 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [0,1,0,0,0,0|1,0,0]=2 195 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [0,1,0,0,0,0|1,0,0]=2 196 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [0,1,0,0,0,0|1,0,0]=2 197 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [0,1,0,0,0,0|1,0,0]=2 198 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [0,1,0,0,0,0|1,0,0]=2 199 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [0,1,0,0,0,0|1,0,0]=2 200 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [0,1,0,0,0,0|1,0,0]=2 201 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [0,1,0,0,0,0|1,0,1]=3 202 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [0,1,0,0,0,0|1,0,0]=2 203 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [0,1,0,0,0,0|1,0,0]=2 204 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [0,1,0,0,0,0|1,0,0]=2 205 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [0,1,0,0,0,0|1,0,0]=2 206 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [0,1,0,0,0,0|2,0,0]=3 207 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [0,1,0,0,0,0|1,0,1]=3 209 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [0,1,0,0,0,0|2,0,1]=4 210 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [0,1,0,0,0,0|2,0,1]=4 211 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [0,1,0,0,0,0|2,0,1]=4 212 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [0,1,0,0,0,0|1,0,1]=3 213 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [0,1,0,0,0,0|1,0,1]=3 214 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [0,1,0,0,0,0|2,0,1]=4 215 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [0,1,0,0,0,0|1,0,1]=3 216 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [0,1,0,0,0,0|0,0,2]=3 217 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [0,1,0,0,0,0|0,1,1]=3 218 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [0,1,0,0,0,0|1,1,0]=3 219 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [0,1,0,0,0,0|2,1,0]=4 220 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [0,1,0,0,0,0|1,0,1]=3 221 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [0,1,0,0,0,0|1,0,1]=3 222 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [0,1,0,0,0,0|1,0,1]=3 223 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [0,1,0,0,0,0|1,0,1]=3 224 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [0,1,0,0,0,0|1,0,1]=3 225 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [0,1,0,0,0,0|0,0,0]=1 226 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [0,1,0,0,0,0|0,0,0]=1 227 B9R1.8 O=CNC1=NC=CC=N1 CNP0027071.0 [0,1,0,0,0,0|2,0,0]=3 228 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [0,1,0,0,0,0|0,0,0]=1 229 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [0,1,0,0,0,0|0,0,0]=1 230 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [0,1,0,0,0,0|0,0,2]=3 231 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [0,1,0,0,0,0|0,0,1]=2 232 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [0,1,0,0,0,0|0,0,2]=3 233 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [0,1,0,0,0,0|0,1,1]=3 234 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [0,1,0,0,0,0|0,1,1]=3 235 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [0,1,0,0,0,0|1,0,0]=2 236 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [0,1,0,0,0,0|1,0,0]=2 237 B9R1.15 C=CC1=NC=CN=C1C CNP0133832.0 [0,1,0,0,0,0|3,0,0]=4 238 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [0,1,0,0,0,0|1,0,1]=3 239 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [0,1,0,0,0,0|0,0,0]=1 240 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [0,1,0,0,0,0|1,0,1]=3 241 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [0,1,0,0,0,0|0,0,2]=3 242 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [0,1,0,0,0,0|1,0,0]=2 243 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [0,1,0,0,0,0|2,0,0]=3 244 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [0,1,0,0,0,0|1,0,2]=4 245 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [0,1,0,0,0,0|1,0,1]=3 246 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [0,1,0,0,0,0|1,0,1]=3 247 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [0,1,0,0,0,0|1,0,1]=3 248 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [0,1,0,0,0,0|1,0,1]=3 249 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [0,1,0,0,0,0|1,0,1]=3 250 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [0,1,0,0,0,0|2,0,1]=4 251 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [0,1,0,0,0,0|2,0,1]=4 252 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [0,1,0,0,0,0|2,0,1]=4 253 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [0,1,0,0,0,0|2,0,0]=3 254 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [0,1,0,0,0,0|2,0,0]=3 255 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [0,1,0,0,0,0|2,0,0]=3 256 B9R1.15 COC1=CCC=CC1=O CNP0023044.0 [0,1,0,0,0,0|2,0,1]=4 257 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [0,1,0,0,0,0|3,0,0]=4 258 B9R1.15 COC1=CNC=CC1=O CNP0190346.0 [0,1,0,0,0,0|3,0,0]=4 259 B9R1.15 COC1=COC=CC1=O CNP0259077.0 [0,1,0,0,0,0|3,0,0]=4 260 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [0,1,0,0,0,0|3,0,0]=4 261 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [0,1,0,0,0,0|2,0,0]=3 262 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [0,1,0,0,0,0|0,0,0]=1 263 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [0,1,0,0,0,0|0,0,2]=3 264 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [0,1,0,0,0,0|1,0,1]=3 265 B9R1.15 NNC1=CC=CC=C1Cl CNP0024117.0 [0,1,0,0,0,0|2,0,0]=3 266 B9R1.15 O=CC1=C(C=COC1)O CNP0216664.0 [0,1,0,0,0,0|1,0,1]=3 267 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [0,1,0,0,0,0|0,0,0]=1 268 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [0,1,0,0,0,0|0,0,0]=1 269 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [0,1,0,0,0,0|2,0,1]=4 270 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [0,1,0,0,0,0|0,0,2]=3 271 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [0,1,0,0,0,0|0,1,1]=3 272 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [0,1,0,0,0,0|2,0,0]=3 273 B7R0.1 C=CC=CC=CCC CNP0261432.0 [0,0,1,0,0,0|1,0,1]=3 274 B7R0.1 C=CC=CCC=CC CNP0290357.0 [0,0,1,0,0,0|1,0,1]=3 275 B7R0.1 C=CC=CCCC=C CNP0365770.0 [0,0,1,0,0,0|1,0,2]=4 276 B7R0.1 CC=CC=CC=CC CNP0185443.0 [0,0,1,0,0,0|1,0,1]=3 277 B7R0.1 CCC=CC=CC=O CNP0276667.0 [0,0,1,0,0,0|0,0,2]=3 278 B7R0.1 O=CC=CC=CC=O CNP0204128.0 [0,0,1,0,0,0|1,0,0]=2 279 B7R0.1 O=CC=CC=CCO CNP0296757.0 [0,0,1,0,0,0|1,0,1]=3 280 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [0,0,1,0,0,0|1,0,2]=4 281 B7R0.3 C=CC=CC(C)C=C CNP0076743.0 [0,0,1,0,0,0|1,0,2]=4 282 B7R0.3 C=CCCC(=C)C=C CNP0603134.0 [0,0,1,0,0,0|1,0,2]=4 283 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [0,0,0,1,0,0|1,0,1]=3 284 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [0,0,0,0,1,0|2,0,0]=3 285 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [0,0,0,0,1,0|2,0,0]=3 286 B7R1.1 C=CC1=CN=CN1 CNP0518270.0 [0,0,0,0,1,0|3,0,0]=4 287 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [0,0,0,0,1,0|2,0,1]=4 288 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [0,0,0,0,1,0|2,0,1]=4 289 B7R1.1 CCC1=COC=C1 CNP0136418.0 [0,0,0,0,1,0|2,0,1]=4 290 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [0,0,0,0,1,0|2,0,1]=4 291 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [0,0,0,0,1,0|2,0,1]=4 292 B7R1.1 COC1=CC=CN1 CNP0098587.0 [0,0,0,0,1,0|3,0,0]=4 293 B7R1.1 COC1=COC=C1 CNP0503708.0 [0,0,0,0,1,0|3,0,0]=4 294 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [0,0,0,0,1,0|3,0,0]=4 295 B7R1.1 N#CC1=CC=CN1 CNP0158491.0 [0,0,0,0,1,0|2,0,1]=4 296 B7R1.1 N#CC1=CC=CO1 CNP0171436.0 [0,0,0,0,1,0|2,0,1]=4 297 B7R1.1 N#CC1=CC=CS1 CNP0079372.0 [0,0,0,0,1,0|2,0,1]=4 298 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [0,0,0,0,1,0|1,0,0]=2 299 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [0,0,0,0,1,0|1,0,0]=2 300 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [0,0,0,0,1,0|1,0,0]=2 301 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [0,0,0,0,1,0|1,0,0]=2 302 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [0,0,0,0,1,0|1,0,0]=2 303 B7R1.1 O=CN1C=CC=C1 CNP0265883.0 [0,0,0,0,1,0|1,0,0]=2 304 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [0,0,0,0,1,0|1,0,2]=4 305 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [0,0,0,0,1,0|1,0,2]=4 306 B7R1.1 OCC1=COC=C1 CNP0248845.0 [0,0,0,0,1,0|1,0,2]=4 307 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [0,0,0,0,1,0|1,0,2]=4 308 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [0,0,0,0,1,0|1,1,1]=4 309 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [0,0,0,0,1,0|1,1,1]=4 310 B9R1.89 C=C[C@@H]1C=CCC=CC1 CNP0170678.2 [0,0,0,0,0,1|1,0,2]=4 311 B9R1.89 C=C[C@H]1C=CCC=CC1 CNP0170678.1 [0,0,0,0,0,1|1,0,2]=4 312 B6R0.6 C=CC=CC=CC CNP0610379.0 [1,0,1,0,0,0|0,0,1]=3 313 B6R0.6 CC=CC=CC=O CNP0182801.0 [1,0,1,0,0,0|0,0,1]=3 314 B6R0.1 C=C(C=O)CC=O CNP0191239.0 [1,0,1,0,0,0|1,0,1]=4 315 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [1,0,1,0,0,0|0,0,1]=3 316 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [1,0,1,0,0,0|1,0,0]=3 317 B6R1.1 C1=CC=CC=C1 CNP0140642.0 [2,0,0,0,0,0|0,0,0]=2 318 B6R1.1 C1=CC=NC=C1 CNP0160377.0 [2,0,0,0,0,0|1,0,0]=3 319 B6R1.1 C1=CC=[GeH]C=C1 CNP0610073.0 [2,0,0,0,0,0|0,1,0]=3 320 B6R1.1 C1=CCC=CC1 CNP0508932.0 [2,0,0,0,0,0|0,0,2]=4 321 B6R1.1 C1=CCCC=C1 CNP0267898.0 [2,0,0,0,0,0|0,0,2]=4 322 B6R1.1 C1=CCNC=C1 CNP0081217.0 [2,0,0,0,0,0|1,0,1]=4 323 B6R1.1 C1=CCOC=C1 CNP0513975.0 [2,0,0,0,0,0|1,0,1]=4 324 B6R1.1 C1=CC[IH]C=C1 CNP0564978.0 [2,0,0,0,0,0|1,0,1]=4 325 B6R1.1 C1=CN=CC=N1 CNP0190332.0 [2,0,0,0,0,0|2,0,0]=4 326 B6R1.1 C1=CN=CN=C1 CNP0415803.0 [2,0,0,0,0,0|2,0,0]=4 327 B6R1.1 C1=CSSC=C1 CNP0509445.0 [2,0,0,0,0,0|2,0,0]=4 328 B6R1.1 [C]1=CC=CC=C1 CNP0517520.0 [2,0,0,0,0,0|0,0,1]=3 329 B8R0.4 C=CCC=CC=CC=O CNP0394181.0 [0,1,1,0,0,0|0,0,0]=2 330 B8R0.4 C=CCSSC=CC=O CNP0182534.0 [0,1,1,0,0,0|1,0,1]=4 331 B8R0.4 CC=CCCC=CC=O CNP0002598.0 [0,1,1,0,0,0|0,0,2]=4 332 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [0,1,1,0,0,0|0,0,2]=4 333 B8R0.6 CC(=CC=CC=O)CO CNP0246608.0 [0,1,1,0,0,0|1,0,1]=4 334 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [0,1,1,0,0,0|0,0,2]=4 335 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [0,1,1,0,0,0|1,0,1]=4 336 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [0,1,1,0,0,0|0,0,2]=4 337 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [0,1,1,0,0,0|0,0,2]=4 338 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [0,1,1,0,0,0|0,0,2]=4 339 B8R0.8 C=C/C=C\[C@@H](N)C(=O)O CNP0232155.1 [0,1,1,0,0,0|1,0,1]=4 340 B8R0.8 C=CC=CC(N)C(=O)O CNP0232155.0 [0,1,1,0,0,0|1,0,1]=4 341 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [0,1,1,0,0,0|0,0,2]=4 342 B8R0.9 C=C(O)C=CC(=O)C=O CNP0588260.0 [0,1,1,0,0,0|1,0,0]=3 343 B8R0.9 C=C(O)C=CC(=O)C=O CNP0602025.0 [0,1,1,0,0,0|1,0,0]=3 344 B8R0.11 CC=C(C=O)C=CCC CNP0281953.0 [0,1,1,0,0,0|0,0,2]=4 345 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [0,1,1,0,0,0|0,0,2]=4 346 B8R0.15 C=CC(=CC=O)C(=O)O CNP0182283.0 [0,1,1,0,0,0|1,0,0]=3 347 B8R0.22 O=CC=C(C=O)CC=O CNP0185177.0 [0,1,1,0,0,0|1,0,1]=4 348 B8R1.3 BrC1=CC=C(C=C1)Br CNP0468033.0 [1,1,0,0,0,0|1,0,0]=3 349 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [1,1,0,0,0,0|0,0,0]=2 350 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [1,1,0,0,0,0|0,0,1]=3 351 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [1,1,0,0,0,0|0,0,1]=3 352 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [1,1,0,0,0,0|0,0,1]=3 353 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [1,1,0,0,0,0|0,0,1]=3 354 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [1,1,0,0,0,0|0,0,1]=3 355 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [1,1,0,0,0,0|0,0,1]=3 356 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [1,1,0,0,0,0|1,0,1]=4 357 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [1,1,0,0,0,0|1,0,1]=4 358 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [1,1,0,0,0,0|1,0,1]=4 359 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [1,1,0,0,0,0|1,0,1]=4 360 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [1,1,0,0,0,0|1,0,1]=4 361 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [1,1,0,0,0,0|1,0,1]=4 362 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [1,1,0,0,0,0|1,0,0]=3 363 B8R1.3 CN1C=CC(=N)C=C1 CNP0407521.0 [1,1,0,0,0,0|1,0,1]=4 364 B8R1.3 ClC1=CC=C(C=C1)Cl CNP0341270.0 [1,1,0,0,0,0|1,0,0]=3 365 B8R1.3 NC1=CC=C(C=C1)Br CNP0044742.0 [1,1,0,0,0,0|1,0,0]=3 366 B8R1.3 NC1=CC=C(C=C1)I CNP0290133.0 [1,1,0,0,0,0|1,0,0]=3 367 B8R1.3 NC1=CC=C(C=C1)N CNP0208924.0 [1,1,0,0,0,0|1,0,0]=3 368 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [1,1,0,0,0,0|0,0,1]=3 369 B8R1.3 NC1=CC=C(C=N1)Br CNP0213494.0 [1,1,0,0,0,0|2,0,0]=4 370 B8R1.3 NC1=CC=C(C=N1)Cl CNP0022545.0 [1,1,0,0,0,0|2,0,0]=4 371 B8R1.3 NC1=CC=C(C=N1)I CNP0047532.0 [1,1,0,0,0,0|2,0,0]=4 372 B8R1.3 O=C1C=CC(=CN1)O CNP0491283.0 [1,1,0,0,0,0|1,0,0]=3 373 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [1,1,0,0,0,0|0,0,0]=2 374 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [1,1,0,0,0,0|0,0,2]=4 375 B8R1.3 O=C1C=CC(=O)OC1 CNP0611320.0 [1,1,0,0,0,0|1,0,1]=4 376 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [1,1,0,0,0,0|0,0,1]=3 377 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [1,1,0,0,0,0|0,0,1]=3 378 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [1,1,0,0,0,0|0,0,1]=3 379 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [1,1,0,0,0,0|0,0,1]=3 380 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [1,1,0,0,0,0|0,0,1]=3 381 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [1,1,0,0,0,0|1,0,1]=4 382 B8R1.4 BrC1=CN=CC(=C1)Br CNP0184336.0 [1,1,0,0,0,0|2,0,0]=4 383 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [1,1,0,0,0,0|1,0,1]=4 384 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [1,1,0,0,0,0|1,0,0]=3 385 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [1,1,0,0,0,0|1,0,0]=3 386 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [1,1,0,0,0,0|0,0,1]=3 387 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [1,1,0,0,0,0|0,0,1]=3 388 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [1,1,0,0,0,0|0,0,1]=3 389 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [1,1,0,0,0,0|0,0,1]=3 390 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [1,1,0,0,0,0|0,0,1]=3 391 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [1,1,0,0,0,0|1,0,1]=4 392 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [1,1,0,0,0,0|1,0,1]=4 393 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [1,1,0,0,0,0|1,0,1]=4 394 B8R1.4 CC1=CC=C[N+](=C1)[O-] CNP0579325.0 [1,1,0,0,0,0|1,0,1]=4 395 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [1,1,0,0,0,0|1,0,1]=4 396 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [1,1,0,0,0,0|1,0,1]=4 397 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [1,1,0,0,0,0|2,0,0]=4 398 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [1,1,0,0,0,0|1,0,1]=4 399 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [1,1,0,0,0,0|1,0,1]=4 400 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [1,1,0,0,0,0|1,0,1]=4 401 B8R1.4 ClC1=CC=CC(=C1)Cl CNP0080171.0 [1,1,0,0,0,0|1,0,0]=3 402 B8R1.4 NC1=CC=CC(=C1)Cl CNP0066965.0 [1,1,0,0,0,0|1,0,0]=3 403 B8R1.4 NC1=CC=CC(=C1)N CNP0033147.0 [1,1,0,0,0,0|1,0,0]=3 404 B8R1.4 NC1=CC=CC(=C1)O CNP0172517.0 [1,1,0,0,0,0|0,0,1]=3 405 B8R1.4 NC1=CC=NC(=O)N1 CNP0152195.0 [1,1,0,0,0,0|2,0,0]=4 406 B8R1.4 NC1=NC(=O)C=CN1 CNP0262149.0 [1,1,0,0,0,0|2,0,0]=4 407 B8R1.4 NC1=NC(=O)NC=C1 CNP0547250.0 [1,1,0,0,0,0|2,0,0]=4 408 B8R1.4 O=C1C=CNC(=O)N1 CNP0289236.0 [1,1,0,0,0,0|2,0,0]=4 409 B8R1.4 O=C1C=CNC(=S)N1 CNP0267533.0 [1,1,0,0,0,0|2,0,0]=4 410 B8R1.4 O=C1C=COC(=O)O1 CNP0127081.0 [1,1,0,0,0,0|2,0,0]=4 411 B8R1.4 O=C1NC=CC(=S)N1 CNP0526922.0 [1,1,0,0,0,0|2,0,0]=4 412 B8R1.4 OC1=CC=CC(=C1)Cl CNP0109649.0 [1,1,0,0,0,0|0,0,1]=3 413 B8R1.4 OC1=CC=CC(=C1)O CNP0414137.0 [1,1,0,0,0,0|0,0,1]=3 414 B8R1.4 [O-]C1=CC=CC(=C1)[O-] CNP0552554.0 [1,1,0,0,0,0|0,0,1]=3 415 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [1,1,0,0,0,0|0,0,1]=3 416 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [1,1,0,0,0,0|0,0,1]=3 417 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [1,1,0,0,0,0|0,0,1]=3 418 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [1,1,0,0,0,0|0,0,1]=3 419 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [1,1,0,0,0,0|0,0,1]=3 420 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [1,1,0,0,0,0|0,0,1]=3 421 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [1,1,0,0,0,0|0,0,1]=3 422 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [1,1,0,0,0,0|1,0,1]=4 423 B8R1.5 CC1=CC=CC=[N+]1[O-] CNP0511667.0 [1,1,0,0,0,0|1,0,1]=4 424 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [1,1,0,0,0,0|1,0,1]=4 425 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [1,1,0,0,0,0|1,0,1]=4 426 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [1,1,0,0,0,0|1,0,1]=4 427 B8R1.5 CC1=CC=NC=C1C CNP0275303.0 [1,1,0,0,0,0|1,0,1]=4 428 B8R1.5 CC1=CC=NC=C1N CNP0236716.0 [1,1,0,0,0,0|1,0,1]=4 429 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [1,1,0,0,0,0|1,0,1]=4 430 B8R1.5 ClC1=CC=CC=C1Cl CNP0284887.0 [1,1,0,0,0,0|1,0,0]=3 431 B8R1.5 N=C1C=CNC=C1N CNP0546227.0 [1,1,0,0,0,0|2,0,0]=4 432 B8R1.5 NC1=CC=CC=C1Br CNP0295031.0 [1,1,0,0,0,0|1,0,0]=3 433 B8R1.5 NC1=CC=CC=C1N CNP0232275.0 [1,1,0,0,0,0|1,0,0]=3 434 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [1,1,0,0,0,0|0,0,1]=3 435 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [1,1,0,0,0,0|0,1,0]=3 436 B8R1.5 NC1=CC=CN=C1Cl CNP0096813.0 [1,1,0,0,0,0|2,0,0]=4 437 B8R1.5 NC1=CN=CC=C1I CNP0081944.0 [1,1,0,0,0,0|2,0,0]=4 438 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [1,1,0,0,0,0|0,0,0]=2 439 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [1,1,0,0,0,0|0,0,1]=3 440 B8R1.5 O=C1C=CNC=C1O CNP0258387.0 [1,1,0,0,0,0|1,0,0]=3 441 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [1,1,0,0,0,0|1,0,0]=3 442 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [1,1,0,0,0,0|1,0,0]=3 443 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [1,1,0,0,0,0|1,0,0]=3 444 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [1,1,0,0,0,0|0,0,1]=3 445 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [1,1,0,0,0,0|0,0,1]=3 446 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [1,1,0,0,0,0|0,0,1]=3 447 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [1,1,0,0,0,0|1,0,1]=4 448 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [1,1,0,0,0,0|1,0,1]=4 449 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [1,1,0,0,0,0|1,0,1]=4 450 B8R1.5 ON1C=CC=CC1=S CNP0586487.0 [1,1,0,0,0,0|1,0,1]=4 451 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [1,1,0,0,0,0|0,0,1]=3 452 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [1,1,0,0,0,0|0,0,1]=3 453 B8R1.5 [O-]N1C=CC=CC1=S CNP0491195.0 [1,1,0,0,0,0|1,0,1]=4 454 B8R1.5 [O-]N1C=CC=CC1=S CNP0532331.0 [1,1,0,0,0,0|1,0,1]=4 455 B8R1.5 [O-][N+]1=CC=CC=C1S CNP0592307.0 [1,1,0,0,0,0|1,0,1]=4 456 B8R1.72 O=S1(=O)C=CC=CN1 CNP0480908.0 [1,1,0,0,0,0|2,0,0]=4 457 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [0,1,0,0,1,0|1,0,0]=3 458 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [0,1,0,0,1,0|1,0,0]=3 459 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [0,1,0,0,1,0|1,0,0]=3 460 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,1,0,0,1,0|2,0,0]=4 461 B8R1.1 O=CC1=CC=C(O1)O CNP0326852.0 [0,1,0,0,1,0|1,0,0]=3 462 B8R1.1 O=NC1=CC=C(N1)O CNP0611370.0 [0,1,0,0,1,0|2,0,0]=4 463 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,1,0,0,1,0|1,0,0]=3 464 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [0,1,0,0,1,0|1,0,0]=3 465 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,1,0,0,1,0|1,0,0]=3 466 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [0,1,0,0,1,0|1,0,0]=3 467 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [0,1,0,0,1,0|1,0,0]=3 468 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [0,1,0,0,1,0|2,0,0]=4 469 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [0,1,0,0,1,0|2,0,0]=4 470 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [0,1,0,0,1,0|1,0,0]=3 471 B8R1.7 CC(=O)N1C=CN=C1 CNP0241131.0 [0,1,0,0,1,0|2,0,0]=4 472 B8R1.7 N=C(N)C1=CNC=C1 CNP0175119.0 [0,1,0,0,1,0|2,0,0]=4 473 B8R1.7 NC(=C1C=CN=C1)N CNP0090850.0 [0,1,0,0,1,0|2,0,0]=4 474 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [0,1,0,0,1,0|1,0,0]=3 475 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [0,1,0,0,1,0|1,0,0]=3 476 B8R1.7 NC(=O)C1=CN=CN1 CNP0585568.0 [0,1,0,0,1,0|2,0,0]=4 477 B8R1.7 NC(=O)C1=CNC=N1 CNP0130014.0 [0,1,0,0,1,0|2,0,0]=4 478 B8R1.7 NC(=O)C1=NNC=C1 CNP0117366.0 [0,1,0,0,1,0|2,0,0]=4 479 B8R1.7 O=C(Cl)C1=COC=C1 CNP0176972.0 [0,1,0,0,1,0|1,0,0]=3 480 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [0,1,0,0,1,0|1,0,0]=3 481 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [0,1,0,0,1,0|1,0,0]=3 482 B8R1.7 O=C(O)C1=CN=CN1 CNP0581478.0 [0,1,0,0,1,0|2,0,0]=4 483 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [0,1,0,0,1,0|1,0,0]=3 484 B8R1.7 O=C(O)C1=CNC=N1 CNP0458584.0 [0,1,0,0,1,0|2,0,0]=4 485 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [0,1,0,0,1,0|1,0,0]=3 486 B8R1.7 O=C(O)C1=CON=C1 CNP0604481.0 [0,1,0,0,1,0|2,0,0]=4 487 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [0,1,0,0,1,0|1,0,0]=3 488 B8R1.7 O=C(O)C1=CSC=N1 CNP0506854.0 [0,1,0,0,1,0|2,0,0]=4 489 B8R1.7 O=C(O)C1=NNC=C1 CNP0261181.0 [0,1,0,0,1,0|2,0,0]=4 490 B8R1.7 O=[N+]([O-])C1=CC=CS1 CNP0489740.0 [0,1,0,0,1,0|2,0,0]=4 491 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [0,1,0,0,1,0|2,0,0]=4 492 B8R1.8 C=CCN1C=CC=C1 CNP0126434.0 [0,1,0,0,1,0|2,0,0]=4 493 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [0,1,0,0,1,0|2,0,0]=4 494 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [0,1,0,0,1,0|1,0,0]=3 495 B8R1.8 O=CCC1=CN=CN1 CNP0573000.0 [0,1,0,0,1,0|2,0,0]=4 496 B8R1.8 O=CCC1=CNC=N1 CNP0083568.0 [0,1,0,0,1,0|2,0,0]=4 497 B8R1.8 ON=CC1=CC=CN1 CNP0104313.0 [0,1,0,0,1,0|1,0,1]=4 498 B8R1.8 ON=CC1=CC=CS1 CNP0079213.0 [0,1,0,0,1,0|1,0,1]=4 499 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [0,1,0,0,1,0|1,0,0]=3 500 B8R1.11 CN1C=CC=C1C=O CNP0330162.0 [0,1,0,0,1,0|1,0,0]=3 501 B10R1.19 CNC1=CC=CC=CC1=O CNP0365343.0 [0,1,0,0,0,1|2,0,0]=4 502 B10R1.19 COC1=CC=CC=CC1=O CNP0338475.0 [0,1,0,0,0,1|2,0,0]=4 503 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [0,2,0,0,0,0|1,0,0]=3 504 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [0,2,0,0,0,0|1,0,0]=3 505 B10R1.1 CC1=CC=C(C=C1)C=NO CNP0256781.0 [0,2,0,0,0,0|0,0,1]=3 506 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [0,2,0,0,0,0|0,0,0]=2 507 B10R1.1 CC1=CC=C(C=C1)SC#N CNP0533747.0 [0,2,0,0,0,0|1,0,1]=4 508 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [0,2,0,0,0,0|1,0,0]=3 509 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [0,2,0,0,0,0|1,0,0]=3 510 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [0,2,0,0,0,0|1,0,1]=4 511 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [0,2,0,0,0,0|1,0,1]=4 512 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [0,2,0,0,0,0|1,0,1]=4 513 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [0,2,0,0,0,0|1,0,1]=4 514 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [0,2,0,0,0,0|1,0,1]=4 515 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [0,2,0,0,0,0|0,0,2]=4 516 B10R1.1 N#CCC1=CC=C(C=C1)O CNP0232327.0 [0,2,0,0,0,0|1,0,1]=4 517 B10R1.1 N#CNC1=CC=C(C=C1)Cl CNP0231069.0 [0,2,0,0,0,0|1,0,1]=4 518 B10R1.1 N#CSC1=CC=C(C=C1)O CNP0157204.0 [0,2,0,0,0,0|1,0,1]=4 519 B10R1.1 NC1=CC=C(C=C1)C=NO CNP0185919.0 [0,2,0,0,0,0|0,0,1]=3 520 B10R1.1 NC=CC1=CC=C(C=C1)O CNP0527921.0 [0,2,0,0,0,0|1,0,0]=3 521 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [0,2,0,0,0,0|1,0,1]=4 522 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [0,2,0,0,0,0|0,0,0]=2 523 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [0,2,0,0,0,0|0,0,2]=4 524 B10R1.1 ON=CC1=CC=C(C=C1)Br CNP0046844.0 [0,2,0,0,0,0|0,0,1]=3 525 B10R1.1 ON=CC1=CC=C(C=C1)Cl CNP0036786.0 [0,2,0,0,0,0|0,0,1]=3 526 B10R1.1 ON=CC1=CC=C(C=C1)O CNP0057124.0 [0,2,0,0,0,0|0,0,1]=3 527 B10R1.1 [2H]/C=C\C1=CC=C(C=C1)O CNP0496441.0 [0,2,0,0,0,0|1,0,0]=3 528 B10R1.3 BrCC1=CC=C(C=C1)CBr CNP0025281.0 [0,2,0,0,0,0|1,0,1]=4 529 B10R1.3 C=CC1=CC=C(C=C1)C=C CNP0540510.0 [0,2,0,0,0,0|1,0,0]=3 530 B10R1.3 C=CC1=CC=C(C=C1)C=O CNP0512344.0 [0,2,0,0,0,0|0,0,0]=2 531 B10R1.3 C=CC1=CC=C(C=C1)CC CNP0084147.0 [0,2,0,0,0,0|1,0,0]=3 532 B10R1.3 C=CC1=CC=C(C=C1)CO CNP0018712.0 [0,2,0,0,0,0|1,0,0]=3 533 B10R1.3 C=CC1=CC=C(C=C1)OC CNP0327301.0 [0,2,0,0,0,0|1,0,0]=3 534 B10R1.3 CCC1=CC=C(C=C1)C#N CNP0223506.0 [0,2,0,0,0,0|1,0,1]=4 535 B10R1.3 CCC1=CC=C(C=C1)C=O CNP0279142.0 [0,2,0,0,0,0|0,0,0]=2 536 B10R1.3 CCC1=CC=C(C=C1)CC CNP0158802.0 [0,2,0,0,0,0|1,0,1]=4 537 B10R1.3 CCC1=CC=C(C=C1)OC CNP0330277.0 [0,2,0,0,0,0|1,0,1]=4 538 B10R1.3 CNC1=CC=C(C=C1)C=O CNP0246789.0 [0,2,0,0,0,0|0,0,0]=2 539 B10R1.3 COC1=CC=C(C=C1)C#N CNP0311472.0 [0,2,0,0,0,0|1,0,1]=4 540 B10R1.3 COC1=CC=C(C=C1)C=O CNP0234469.0 [0,2,0,0,0,0|0,0,0]=2 541 B10R1.3 COC1=CC=C(C=C1)C=S CNP0185667.0 [0,2,0,0,0,0|0,1,0]=3 542 B10R1.3 COC1=CC=C(C=C1)CN CNP0143724.0 [0,2,0,0,0,0|1,0,1]=4 543 B10R1.3 COC1=CC=C(C=C1)CO CNP0301946.0 [0,2,0,0,0,0|0,0,2]=4 544 B10R1.3 COC1=CC=C(C=C1)OC CNP0161668.0 [0,2,0,0,0,0|2,0,0]=4 545 B10R1.3 N#[N+]C1=CC=C(C=C1)CO CNP0355335.0 [0,2,0,0,0,0|0,0,2]=4 546 B10R1.3 O=CC1=CC=C(C=C1)C=O CNP0454004.0 [0,2,0,0,0,0|0,0,0]=2 547 B10R1.3 O=CC1=CC=C(C=C1)CBr CNP0064464.0 [0,2,0,0,0,0|0,0,0]=2 548 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [0,2,0,0,0,0|1,0,0]=3 549 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [0,2,0,0,0,0|2,0,0]=4 550 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [0,2,0,0,0,0|0,0,0]=2 551 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [0,2,0,0,0,0|0,0,0]=2 552 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [0,2,0,0,0,0|0,0,0]=2 553 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [0,2,0,0,0,0|0,0,0]=2 554 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [0,2,0,0,0,0|0,0,0]=2 555 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [0,2,0,0,0,0|1,0,0]=3 556 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [0,2,0,0,0,0|0,0,2]=4 557 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [0,2,0,0,0,0|1,0,0]=3 558 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [0,2,0,0,0,0|2,0,0]=4 559 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [0,2,0,0,0,0|1,0,1]=4 560 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [0,2,0,0,0,0|1,0,1]=4 561 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [0,2,0,0,0,0|1,0,1]=4 562 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [0,2,0,0,0,0|0,0,0]=2 563 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [0,2,0,0,0,0|0,0,0]=2 564 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [0,2,0,0,0,0|0,0,0]=2 565 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [0,2,0,0,0,0|0,0,0]=2 566 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [0,2,0,0,0,0|1,0,1]=4 567 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [0,2,0,0,0,0|0,0,2]=4 568 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [0,2,0,0,0,0|0,0,2]=4 569 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [0,2,0,0,0,0|2,0,0]=4 570 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [0,2,0,0,0,0|0,0,2]=4 571 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [0,2,0,0,0,0|0,0,2]=4 572 B10R1.13 N=C(N)C1=CC=C(C=C1)N CNP0095026.0 [0,2,0,0,0,0|1,0,0]=3 573 B10R1.13 N=C1C=CC(=CN1)C(=O)N CNP0537992.0 [0,2,0,0,0,0|1,0,0]=3 574 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [0,2,0,0,0,0|0,0,0]=2 575 B10R1.13 NC(=O)C1=CC=C(N=C1)Cl CNP0263777.0 [0,2,0,0,0,0|1,0,0]=3 576 B10R1.13 NC(=O)C1=CC=C(N=C1)N CNP0343331.0 [0,2,0,0,0,0|1,0,0]=3 577 B10R1.13 NC(=O)C1=CNC(=O)C=N1 CNP0002360.0 [0,2,0,0,0,0|2,0,0]=4 578 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [0,2,0,0,0,0|0,0,0]=2 579 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [0,2,0,0,0,0|0,0,0]=2 580 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [0,2,0,0,0,0|0,0,0]=2 581 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] CNP0491985.0 [0,2,0,0,0,0|1,0,0]=3 582 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [0,2,0,0,0,0|0,0,0]=2 583 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [0,2,0,0,0,0|0,0,0]=2 584 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [0,2,0,0,0,0|0,0,0]=2 585 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [0,2,0,0,0,0|0,0,0]=2 586 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [0,2,0,0,0,0|1,0,0]=3 587 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [0,2,0,0,0,0|1,0,0]=3 588 B10R1.13 O=C(O)C1=CNC(=O)C=C1 CNP0533542.0 [0,2,0,0,0,0|1,0,0]=3 589 B10R1.13 O=C(O)C1=COC(=O)C=C1 CNP0363999.0 [0,2,0,0,0,0|1,0,0]=3 590 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [0,2,0,0,0,0|0,0,0]=2 591 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [0,2,0,0,0,0|0,0,0]=2 592 B10R1.13 O=C1CC=C(C=N1)C(=O)O CNP0253562.0 [0,2,0,0,0,0|1,0,1]=4 593 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [0,2,0,0,0,0|1,0,0]=3 594 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [0,2,0,0,0,0|1,0,0]=3 595 B10R1.25 C=CC1=CC=C(C=C1O)O CNP0155671.0 [0,2,0,0,0,0|1,0,0]=3 596 B10R1.25 CC1=CC(=CC=C1N=O)N CNP0033954.0 [0,2,0,0,0,0|1,0,0]=3 597 B10R1.25 CC1=CC(=O)C=CC1=NO CNP0220999.0 [0,2,0,0,0,0|1,0,1]=4 598 B10R1.25 CC1=CC=C(C(=C1)C)C#N CNP0033930.0 [0,2,0,0,0,0|1,0,1]=4 599 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [0,2,0,0,0,0|0,0,0]=2 600 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [0,2,0,0,0,0|1,0,1]=4 601 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [0,2,0,0,0,0|0,0,2]=4 602 B10R1.25 CC1=CC=C(C(=C1)Cl)C#N CNP0353020.0 [0,2,0,0,0,0|1,0,1]=4 603 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [0,2,0,0,0,0|0,0,0]=2 604 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [0,2,0,0,0,0|1,0,1]=4 605 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [0,2,0,0,0,0|1,0,1]=4 606 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [0,2,0,0,0,0|1,0,1]=4 607 B10R1.25 COC1=CC=C(C=C1Br)Br CNP0018124.0 [0,2,0,0,0,0|2,0,0]=4 608 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [0,2,0,0,0,0|2,0,0]=4 609 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [0,2,0,0,0,0|2,0,0]=4 610 B10R1.25 COC1=CC=C(C=C1I)I CNP0051717.0 [0,2,0,0,0,0|2,0,0]=4 611 B10R1.25 COC1=CC=C(C=C1N)C CNP0028982.0 [0,2,0,0,0,0|2,0,0]=4 612 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [0,2,0,0,0,0|2,0,0]=4 613 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [0,2,0,0,0,0|2,0,0]=4 614 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [0,2,0,0,0,0|2,0,0]=4 615 B10R1.25 N#CC1=CC=C(C=C1O)O CNP0293189.0 [0,2,0,0,0,0|1,0,1]=4 616 B10R1.25 NC1=CC=C(C(=N1)N)N=O CNP0048898.0 [0,2,0,0,0,0|2,0,0]=4 617 B10R1.25 NC1=NC=C(C(=N1)N)C=O CNP0061276.0 [0,2,0,0,0,0|2,0,0]=4 618 B10R1.25 O=CC1=CC=C(C=C1O)O CNP0382408.0 [0,2,0,0,0,0|0,0,0]=2 619 B10R1.25 OCC1=CC=C(C=C1Cl)Cl CNP0569884.0 [0,2,0,0,0,0|0,0,2]=4 620 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [0,2,0,0,0,0|1,0,0]=3 621 B10R1.176 C=CC1=CC=C(C(=C1)O)O CNP0218096.0 [0,2,0,0,0,0|1,0,0]=3 622 B10R1.176 CC1=CC(=CC=C1N)N=O CNP0042604.0 [0,2,0,0,0,0|1,0,0]=3 623 B10R1.176 CC1=CC(=CC=C1O)C=O CNP0018890.0 [0,2,0,0,0,0|0,0,0]=2 624 B10R1.176 CC1=CC(=NO)C=CC1=O CNP0254335.0 [0,2,0,0,0,0|1,0,1]=4 625 B10R1.176 CC1=CC=C(C=C1C)C#N CNP0181583.0 [0,2,0,0,0,0|1,0,1]=4 626 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [0,2,0,0,0,0|0,0,2]=4 627 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [0,2,0,0,0,0|1,0,1]=4 628 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [0,2,0,0,0,0|1,0,1]=4 629 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [0,2,0,0,0,0|1,0,1]=4 630 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [0,2,0,0,0,0|1,0,1]=4 631 B10R1.176 COC1=CC=C(C(=C1)C)Br CNP0334567.0 [0,2,0,0,0,0|2,0,0]=4 632 B10R1.176 COC1=CC=C(C(=C1)C)Cl CNP0187648.0 [0,2,0,0,0,0|2,0,0]=4 633 B10R1.176 COC1=CC=C(C(=C1)C)O CNP0175131.0 [0,2,0,0,0,0|2,0,0]=4 634 B10R1.176 COC1=CC=C(C(=C1)Cl)Cl CNP0369428.0 [0,2,0,0,0,0|2,0,0]=4 635 B10R1.176 COC1=CC=C(C(=C1)N)O CNP0323578.0 [0,2,0,0,0,0|2,0,0]=4 636 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [0,2,0,0,0,0|2,0,0]=4 637 B10R1.176 N#CC1=CC=C(C(=C1)O)O CNP0155663.0 [0,2,0,0,0,0|1,0,1]=4 638 B10R1.176 NC1=CC(=CC=C1O)C=O CNP0343365.0 [0,2,0,0,0,0|0,0,0]=2 639 B10R1.176 NCC1=CC=C(C(=C1)O)O CNP0353669.0 [0,2,0,0,0,0|1,0,1]=4 640 B10R1.176 O=CC1=CC=C(C(=C1)Br)O CNP0212461.0 [0,2,0,0,0,0|0,0,0]=2 641 B10R1.176 O=CC1=CC=C(C(=C1)Cl)Cl CNP0066778.0 [0,2,0,0,0,0|0,0,0]=2 642 B10R1.176 O=CC1=CC=C(C(=C1)O)O CNP0203672.0 [0,2,0,0,0,0|0,0,0]=2 643 B10R1.176 OCC1=CC=C(C(=C1)Br)O CNP0161139.0 [0,2,0,0,0,0|0,0,2]=4 644 B10R1.176 OCC1=CC=C(C(=C1)O)O CNP0262481.0 [0,2,0,0,0,0|0,0,2]=4 645 B10R1.2 C#[N+]C1=CC=CC(=C1O)N CNP0440267.0 [0,2,0,0,0,0|2,0,0]=4 646 B10R1.2 CC1=CC=CC(=C1C)C#N CNP0139053.0 [0,2,0,0,0,0|1,0,1]=4 647 B10R1.2 CC1=CC=CC(=C1C)C=O CNP0501818.0 [0,2,0,0,0,0|0,0,0]=2 648 B10R1.2 CCC1=CC=CC(=C1C)C CNP0183405.0 [0,2,0,0,0,0|1,0,1]=4 649 B10R1.2 CCC1=CC=CC(=C1O)C CNP0284386.0 [0,2,0,0,0,0|1,0,1]=4 650 B10R1.2 CCC1=CC=CC(=C1O)O CNP0002512.0 [0,2,0,0,0,0|1,0,1]=4 651 B10R1.2 COC1=CC=CC(=C1C)C CNP0198695.0 [0,2,0,0,0,0|2,0,0]=4 652 B10R1.2 COC1=CC=CC(=C1N)C CNP0448107.0 [0,2,0,0,0,0|2,0,0]=4 653 B10R1.2 COC1=CC=CC(=C1O)I CNP0386670.0 [0,2,0,0,0,0|2,0,0]=4 654 B10R1.2 COC1=CC=CC(=C1O)O CNP0330888.0 [0,2,0,0,0,0|2,0,0]=4 655 B10R1.2 COC1=CC=CC(=O)C1=O CNP0358042.0 [0,2,0,0,0,0|2,0,0]=4 656 B10R1.2 N[C@H]1C(=CC=C[C@@H]1O)C=O CNP0272558.1 [0,2,0,0,0,0|0,0,2]=4 657 B10R1.2 O=CC1=CC=CC(=C1O)O CNP0104242.0 [0,2,0,0,0,0|0,0,0]=2 658 B10R1.2 OCC1=CC=CC(=C1O)O CNP0210787.0 [0,2,0,0,0,0|0,0,2]=4 659 B10R1.2 [2H]C1=CC=CC(=C1O)OC CNP0538068.0 [0,2,0,0,0,0|2,0,0]=4 660 B10R1.8 C#CC1=CC(=CC(=C1)C)C CNP0069485.0 [0,2,0,0,0,0|1,0,1]=4 661 B10R1.8 C=CC1=CC(=CC(=C1)C)C CNP0039391.0 [0,2,0,0,0,0|1,0,0]=3 662 B10R1.8 CC1=CC(=CC(=C1)C#N)C CNP0079258.0 [0,2,0,0,0,0|1,0,1]=4 663 B10R1.8 CC1=CC(=CC(=C1)C=O)C CNP0196447.0 [0,2,0,0,0,0|0,0,0]=2 664 B10R1.8 CC1=CC(=CC(=C1)C=O)O CNP0067641.0 [0,2,0,0,0,0|0,0,0]=2 665 B10R1.8 CC1=CC(=CC(=C1)CO)C CNP0300262.0 [0,2,0,0,0,0|0,0,2]=4 666 B10R1.8 CC1=CC(=CC(=C1)NN)C CNP0042212.0 [0,2,0,0,0,0|2,0,0]=4 667 B10R1.8 CCC1=CC(=CC(=C1)C)C CNP0504620.0 [0,2,0,0,0,0|1,0,1]=4 668 B10R1.8 CCC1=CC(=CC(=C1)O)C CNP0307978.0 [0,2,0,0,0,0|1,0,1]=4 669 B10R1.8 COC1=CC(=CC(=C1)C)C CNP0153704.0 [0,2,0,0,0,0|2,0,0]=4 670 B10R1.8 COC1=CC(=CC(=C1)Cl)Cl CNP0017966.0 [0,2,0,0,0,0|2,0,0]=4 671 B10R1.8 COC1=CC(=CC(=C1)O)C CNP0325489.0 [0,2,0,0,0,0|2,0,0]=4 672 B10R1.8 COC1=CC(=CC(=C1)O)O CNP0081787.0 [0,2,0,0,0,0|2,0,0]=4 673 B10R1.8 O=CC1=CC(=CC(=C1)Cl)Cl CNP0440524.0 [0,2,0,0,0,0|0,0,0]=2 674 B10R1.8 O=CC1=CC(=CC(=C1)O)O CNP0573224.0 [0,2,0,0,0,0|0,0,0]=2 675 B10R1.8 OCC1=CC(=CC(=C1)O)O CNP0197323.0 [0,2,0,0,0,0|0,0,2]=4 676 B10R1.10 CC1=CC=CC(=C1)CC#N CNP0583461.0 [0,2,0,0,0,0|1,0,1]=4 677 B10R1.10 CC1=CC=CC(=C1)N=C=O CNP0086215.0 [0,2,0,0,0,0|0,0,1]=3 678 B10R1.10 CC=CC1=CC=CC(=O)O1 CNP0113670.0 [0,2,0,0,0,0|2,0,0]=4 679 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [0,2,0,0,0,0|1,0,1]=4 680 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [0,2,0,0,0,0|1,0,1]=4 681 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [0,2,0,0,0,0|1,0,1]=4 682 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [0,2,0,0,0,0|1,0,1]=4 683 B10R1.10 NCCC1=CC=CC(=C1)O CNP0290010.0 [0,2,0,0,0,0|1,0,1]=4 684 B10R1.10 NNCC1=CC=CC(=C1)O CNP0599464.0 [0,2,0,0,0,0|1,0,1]=4 685 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [0,2,0,0,0,0|0,0,2]=4 686 B10R1.30 C=CC1=CC(=CC=C1C)C CNP0027363.0 [0,2,0,0,0,0|1,0,0]=3 687 B10R1.30 CC1=CC=C(C(=C1)C#N)C CNP0233289.0 [0,2,0,0,0,0|1,0,1]=4 688 B10R1.30 CC1=CC=C(C(=C1)C#N)Cl CNP0033668.0 [0,2,0,0,0,0|1,0,1]=4 689 B10R1.30 CC1=CC=C(C(=C1)C=O)C CNP0076382.0 [0,2,0,0,0,0|0,0,0]=2 690 B10R1.30 CC1=CC=C(C(=C1)CO)C CNP0281493.0 [0,2,0,0,0,0|0,0,2]=4 691 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [0,2,0,0,0,0|1,0,1]=4 692 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [0,2,0,0,0,0|1,0,1]=4 693 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [0,2,0,0,0,0|1,0,1]=4 694 B10R1.30 CCC1=CC(=CC=C1O)O CNP0246876.0 [0,2,0,0,0,0|1,0,1]=4 695 B10R1.30 CCC1=CC(=O)C=CC1=O CNP0391524.0 [0,2,0,0,0,0|1,0,1]=4 696 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [0,2,0,0,0,0|2,0,0]=4 697 B10R1.30 COC1=CC(=CC=C1N)O CNP0304667.0 [0,2,0,0,0,0|2,0,0]=4 698 B10R1.30 COC1=CC(=CC=C1O)C CNP0264266.0 [0,2,0,0,0,0|2,0,0]=4 699 B10R1.30 COC1=CC(=CC=C1O)O CNP0204166.0 [0,2,0,0,0,0|2,0,0]=4 700 B10R1.30 COC1=CC(=N)C=CC1=O CNP0141181.0 [0,2,0,0,0,0|2,0,0]=4 701 B10R1.30 COC1=CC(=O)C=CC1=O CNP0221542.0 [0,2,0,0,0,0|2,0,0]=4 702 B10R1.30 N#CC1=CC(=CC=C1O)O CNP0284631.0 [0,2,0,0,0,0|1,0,1]=4 703 B10R1.30 O=C1C=CC(=O)C(=C1)CO CNP0212904.0 [0,2,0,0,0,0|0,0,2]=4 704 B10R1.30 O=CC1=CC(=CC=C1O)O CNP0326066.0 [0,2,0,0,0,0|0,0,0]=2 705 B10R1.30 OCC1=CC(=CC=C1Cl)O CNP0112835.0 [0,2,0,0,0,0|0,0,2]=4 706 B10R1.30 OCC1=CC(=CC=C1O)O CNP0290995.0 [0,2,0,0,0,0|0,0,2]=4 707 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [0,2,0,0,0,0|1,0,0]=3 708 B10R1.113 C=C(C)C1=CC=NC(=C1)C CNP0589096.0 [0,2,0,0,0,0|2,0,0]=4 709 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [0,2,0,0,0,0|1,0,0]=3 710 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [0,2,0,0,0,0|0,0,0]=2 711 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [0,2,0,0,0,0|0,0,0]=2 712 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [0,2,0,0,0,0|1,0,0]=3 713 B10R1.113 CC(=O)C1=CC=NC(=C1)C CNP0130309.0 [0,2,0,0,0,0|1,0,0]=3 714 B10R1.113 CC(=O)C1=CC=NC(=N1)C CNP0002761.0 [0,2,0,0,0,0|2,0,0]=4 715 B10R1.113 CC(=O)C1=CN=CC(=N1)C CNP0203501.0 [0,2,0,0,0,0|2,0,0]=4 716 B10R1.113 CC(C)C1=CC=CC(=C1)O CNP0246144.0 [0,2,0,0,0,0|1,0,1]=4 717 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [0,2,0,0,0,0|0,0,2]=4 718 B10R1.113 CC1=CC(=CC=N1)C(=O)O CNP0260041.0 [0,2,0,0,0,0|1,0,0]=3 719 B10R1.113 CC1=CC=CC(=C1)C(=O)Cl CNP0329068.0 [0,2,0,0,0,0|0,0,0]=2 720 B10R1.113 CC1=CC=CC(=C1)C(=O)N CNP0150793.0 [0,2,0,0,0,0|0,0,0]=2 721 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [0,2,0,0,0,0|0,0,0]=2 722 B10R1.113 CC1=CC=CC(=C1)C(C)C CNP0151774.0 [0,2,0,0,0,0|1,0,1]=4 723 B10R1.113 CC1=CC=CC(=C1)I(O)O CNP0604420.0 [0,2,0,0,0,0|1,0,1]=4 724 B10R1.113 CC1=CC=CC(=C1)N(C)C CNP0030877.0 [0,2,0,0,0,0|2,0,0]=4 725 B10R1.113 CC1=CN=CC(=C1)C(=O)O CNP0520053.0 [0,2,0,0,0,0|1,0,0]=3 726 B10R1.113 CN(C)C1=CC=CC(=C1)Cl CNP0339431.0 [0,2,0,0,0,0|2,0,0]=4 727 B10R1.113 CN1C=CC=C(C1)C(=O)O CNP0512399.0 [0,2,0,0,0,0|1,0,1]=4 728 B10R1.113 CN1[CH]C=CC(=C1)C(=O)O CNP0480153.0 [0,2,0,0,0,0|1,0,1]=4 729 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [0,2,0,0,0,0|0,0,2]=4 730 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0212015.0 [0,2,0,0,0,0|1,0,0]=3 731 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0497456.0 [0,2,0,0,0,0|1,0,0]=3 732 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0524507.0 [0,2,0,0,0,0|1,0,0]=3 733 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0588667.0 [0,2,0,0,0,0|1,0,0]=3 734 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0337775.0 [0,2,0,0,0,0|1,0,0]=3 735 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0563691.0 [0,2,0,0,0,0|1,0,0]=3 736 B10R1.113 C[N+]1=CC=CC(=C1)[N+](=O)[O-] CNP0526184.0 [0,2,0,0,0,0|2,0,0]=4 737 B10R1.113 NC(=O)C1=CC=CC(=C1)Br CNP0018100.0 [0,2,0,0,0,0|0,0,0]=2 738 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CNP0036584.0 [0,2,0,0,0,0|0,0,0]=2 739 B10R1.113 NC(=O)C1=CC=CC(=C1)N CNP0576660.0 [0,2,0,0,0,0|0,0,0]=2 740 B10R1.113 NC(=O)C1=CC=CC(=C1)O CNP0113657.0 [0,2,0,0,0,0|0,0,0]=2 741 B10R1.113 NC(=O)C1=CC=C[N+](=C1)[O-] CNP0508767.0 [0,2,0,0,0,0|1,0,0]=3 742 B10R1.113 NC(=O)C1=CN=CC(=C1)Br CNP0596398.0 [0,2,0,0,0,0|1,0,0]=3 743 B10R1.113 NC1=CC=CC(=C1)B(O)O CNP0479159.0 [0,2,0,0,0,0|1,0,1]=4 744 B10R1.113 NC1=CC=CC(=C1)C(=O)O CNP0081123.0 [0,2,0,0,0,0|0,0,0]=2 745 B10R1.113 NC1=CC=CC(=C1)[N+](=O)[O-] CNP0574552.0 [0,2,0,0,0,0|1,0,0]=3 746 B10R1.113 NC1=NC=CC(=N1)C(=O)O CNP0302261.0 [0,2,0,0,0,0|2,0,0]=4 747 B10R1.113 N[C@@H]1C=CC=C(C1)C(=O)O CNP0312678.1 [0,2,0,0,0,0|0,0,2]=4 748 B10R1.113 N[C@H]1C=CC=C(C1)C(=O)O CNP0312678.2 [0,2,0,0,0,0|0,0,2]=4 749 B10R1.113 O=C(Cl)C1=CC=CC(=C1)Br CNP0018295.0 [0,2,0,0,0,0|0,0,0]=2 750 B10R1.113 O=C(O)C1=CC=CC(=C1)Br CNP0356258.0 [0,2,0,0,0,0|0,0,0]=2 751 B10R1.113 O=C(O)C1=CC=CC(=C1)Cl CNP0206363.0 [0,2,0,0,0,0|0,0,0]=2 752 B10R1.113 O=C(O)C1=CC=CC(=C1)O CNP0217243.0 [0,2,0,0,0,0|0,0,0]=2 753 B10R1.113 O=C(O)C1=CC=CC(C1)[Si] CNP0180659.0 [0,2,0,0,0,0|0,0,2]=4 754 B10R1.113 O=C(O)C1=CC=C[N+](=C1)[O-] CNP0486873.0 [0,2,0,0,0,0|1,0,0]=3 755 B10R1.113 O=C(O)C1=CN=CC(=C1)O CNP0573743.0 [0,2,0,0,0,0|1,0,0]=3 756 B10R1.172 C=CC1=CC=CC(=C1)C=C CNP0283418.0 [0,2,0,0,0,0|1,0,0]=3 757 B10R1.172 CCC1=CC=CC(=C1)C#N CNP0142603.0 [0,2,0,0,0,0|1,0,1]=4 758 B10R1.172 CCC1=CC=CC(=C1)C=O CNP0154951.0 [0,2,0,0,0,0|0,0,0]=2 759 B10R1.172 CCC1=CC=CC(=C1)CC CNP0328428.0 [0,2,0,0,0,0|1,0,1]=4 760 B10R1.172 CCC1=CC=CC(=C1)CO CNP0495646.0 [0,2,0,0,0,0|0,0,2]=4 761 B10R1.172 COC1=CC=CC(=C1)C#N CNP0199473.0 [0,2,0,0,0,0|1,0,1]=4 762 B10R1.172 COC1=CC=CC(=C1)C=O CNP0283218.0 [0,2,0,0,0,0|0,0,0]=2 763 B10R1.172 COC1=CC=CC(=C1)CO CNP0345399.0 [0,2,0,0,0,0|0,0,2]=4 764 B10R1.172 COC1=CC=CC(=C1)OC CNP0283758.0 [0,2,0,0,0,0|2,0,0]=4 765 B10R1.172 N#CC1=CC=CC(=N1)C=O CNP0065484.0 [0,2,0,0,0,0|1,0,0]=3 766 B10R1.172 O=CC1=CC=CC(=C1)C=O CNP0522103.0 [0,2,0,0,0,0|0,0,0]=2 767 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [0,2,0,0,0,0|0,0,0]=2 768 B10R1.15 C#CC(O)C1=CC=CC=C1 CNP0086091.0 [0,2,0,0,0,0|0,0,2]=4 769 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [0,2,0,0,0,0|0,0,0]=2 770 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [0,2,0,0,0,0|1,0,0]=3 771 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [0,2,0,0,0,0|0,0,0]=2 772 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [0,2,0,0,0,0|1,0,0]=3 773 B10R1.15 C=C[S@+]([O-])C1=CC=CC=C1 CNP0518074.1 [0,2,0,0,0,0|1,0,0]=3 774 B10R1.15 C=C[S@H+]([O-])C1=CC=CC=C1 CNP0479535.1 [0,2,0,0,0,0|1,0,0]=3 775 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [0,2,0,0,0,0|0,0,1]=3 776 B10R1.15 CC(=NO)C1=CC=CC=N1 CNP0145934.0 [0,2,0,0,0,0|1,0,1]=4 777 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [0,2,0,0,0,0|0,0,0]=2 778 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [0,2,0,0,0,0|1,0,1]=4 779 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [0,2,0,0,0,0|1,0,0]=3 780 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [0,2,0,0,0,0|0,0,0]=2 781 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [0,2,0,0,0,0|1,0,0]=3 782 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [0,2,0,0,0,0|1,0,1]=4 783 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [0,2,0,0,0,0|1,0,1]=4 784 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [0,2,0,0,0,0|0,0,2]=4 785 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [0,2,0,0,0,0|1,0,1]=4 786 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [0,2,0,0,0,0|0,0,0]=2 787 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [0,2,0,0,0,0|0,0,0]=2 788 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [0,2,0,0,0,0|1,0,0]=3 789 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [0,2,0,0,0,0|1,0,1]=4 790 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [0,2,0,0,0,0|0,0,0]=2 791 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [0,2,0,0,0,0|1,0,0]=3 792 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [0,2,0,0,0,0|1,0,0]=3 793 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [0,2,0,0,0,0|2,0,0]=4 794 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [0,2,0,0,0,0|0,0,2]=4 795 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [0,2,0,0,0,0|0,0,0]=2 796 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [0,2,0,0,0,0|1,0,1]=4 797 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [0,2,0,0,0,0|0,0,2]=4 798 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [0,2,0,0,0,0|1,0,1]=4 799 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [0,2,0,0,0,0|1,0,1]=4 800 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [0,2,0,0,0,0|0,0,0]=2 801 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 CNP0193863.2 [0,2,0,0,0,0|0,0,2]=4 802 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 CNP0193863.1 [0,2,0,0,0,0|0,0,2]=4 803 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [0,2,0,0,0,0|0,0,1]=3 804 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [0,2,0,0,0,0|0,0,0]=2 805 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [0,2,0,0,0,0|0,0,2]=4 806 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [0,2,0,0,0,0|0,0,2]=4 807 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [0,2,0,0,0,0|0,0,0]=2 808 B10R1.15 NNC(=O)C1=CC=CC=N1 CNP0280058.0 [0,2,0,0,0,0|1,0,0]=3 809 B10R1.15 NNC(=O)C1=CC=CN=C1 CNP0220603.0 [0,2,0,0,0,0|1,0,0]=3 810 B10R1.15 NNC(=O)C1=CC=NC=C1 CNP0295499.0 [0,2,0,0,0,0|1,0,0]=3 811 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [0,2,0,0,0,0|0,0,0]=2 812 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [0,2,0,0,0,0|0,0,0]=2 813 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [0,2,0,0,0,0|0,0,0]=2 814 B10R1.15 O=C(NO)C1=CC=CN=C1 CNP0109606.0 [0,2,0,0,0,0|1,0,0]=3 815 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [0,2,0,0,0,0|0,0,0]=2 816 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [0,2,0,0,0,0|0,0,0]=2 817 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [0,2,0,0,0,0|0,0,1]=3 818 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [0,2,0,0,0,0|0,0,2]=4 819 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [0,2,0,0,0,0|0,0,2]=4 820 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [0,2,0,0,0,0|0,0,2]=4 821 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [0,2,0,0,0,0|0,0,2]=4 822 B10R1.28 CC(C)(C)C1=CC=CC=C1 CNP0125248.0 [0,2,0,0,0,0|1,0,1]=4 823 B10R1.28 CC(C)(O)C1=CC=CC=C1 CNP0423296.0 [0,2,0,0,0,0|0,0,2]=4 824 B10R1.28 C[N+](C)([O-])C1=CC=CC=C1 CNP0569475.0 [0,2,0,0,0,0|1,0,1]=4 825 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 CNP0601518.0 [0,2,0,0,0,0|1,0,0]=3 826 B10R1.28 O=[As](O)(O)C1=CC=CC=C1 CNP0364175.0 [0,2,0,0,0,0|1,0,0]=3 827 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [0,2,0,0,0,0|1,0,0]=3 828 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [0,2,0,0,0,0|0,0,0]=2 829 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [0,2,0,0,0,0|0,0,0]=2 830 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [0,2,0,0,0,0|0,0,0]=2 831 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [0,2,0,0,0,0|1,0,0]=3 832 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [0,2,0,0,0,0|1,0,0]=3 833 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [0,2,0,0,0,0|1,0,0]=3 834 B10R1.61 CC(=O)C1=NC=CN=C1C CNP0253592.0 [0,2,0,0,0,0|2,0,0]=4 835 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [0,2,0,0,0,0|1,0,1]=4 836 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [0,2,0,0,0,0|0,1,1]=4 837 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [0,2,0,0,0,0|0,0,0]=2 838 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [0,2,0,0,0,0|0,0,0]=2 839 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [0,2,0,0,0,0|1,0,1]=4 840 B10R1.61 CC1=CC=NC=C1C(=O)N CNP0051605.0 [0,2,0,0,0,0|1,0,0]=3 841 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [0,2,0,0,0,0|1,0,0]=3 842 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [0,2,0,0,0,0|1,0,0]=3 843 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [0,2,0,0,0,0|2,0,0]=4 844 B10R1.61 CN1CC=CC=C1C(=O)O CNP0610846.0 [0,2,0,0,0,0|1,0,1]=4 845 B10R1.61 CN1[CH]C=CC=C1C(=O)O CNP0498568.0 [0,2,0,0,0,0|1,0,1]=4 846 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] CNP0503158.0 [0,2,0,0,0,0|1,0,0]=3 847 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [0,2,0,0,0,0|0,0,0]=2 848 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [0,2,0,0,0,0|0,0,0]=2 849 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [0,2,0,0,0,0|0,0,0]=2 850 B10R1.61 NC(=O)C1=CN=CC=C1O CNP0172133.0 [0,2,0,0,0,0|1,0,0]=3 851 B10R1.61 NC(=O)C1=CNC=CC1=O CNP0612033.0 [0,2,0,0,0,0|1,0,0]=3 852 B10R1.61 NC(=O)C1C=NC=CC1=O CNP0547525.0 [0,2,0,0,0,0|1,0,1]=4 853 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [0,2,0,0,0,0|0,0,0]=2 854 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] CNP0571893.0 [0,2,0,0,0,0|1,0,0]=3 855 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [0,2,0,0,0,0|0,0,0]=2 856 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [0,2,0,0,0,0|0,0,0]=2 857 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [0,2,0,0,0,0|0,0,0]=2 858 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [0,2,0,0,0,0|0,0,0]=2 859 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [0,2,0,0,0,0|0,0,0]=2 860 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] CNP0602908.0 [0,2,0,0,0,0|1,0,0]=3 861 B10R1.61 O=C(O)C1=CC=NC=C1Br CNP0504363.0 [0,2,0,0,0,0|1,0,0]=3 862 B10R1.61 O=C(O)C1=CC=NC=C1O CNP0519260.0 [0,2,0,0,0,0|1,0,0]=3 863 B10R1.61 O=C(O)C1=CN=CC=C1O CNP0530780.0 [0,2,0,0,0,0|1,0,0]=3 864 B10R1.61 O=C(O)C1=CNC=CC1=O CNP0248624.0 [0,2,0,0,0,0|1,0,0]=3 865 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [0,2,0,0,0,0|1,0,0]=3 866 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [0,2,0,0,0,0|0,0,0]=2 867 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [0,2,0,0,0,0|0,0,0]=2 868 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [0,2,0,0,0,0|0,0,0]=2 869 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [0,2,0,0,0,0|0,0,0]=2 870 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [0,2,0,0,0,0|1,0,0]=3 871 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [0,2,0,0,0,0|1,0,0]=3 872 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [0,2,0,0,0,0|1,0,0]=3 873 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [0,2,0,0,0,0|1,0,0]=3 874 B10R1.4 C=COC1=CC=CC=C1C CNP0434355.0 [0,2,0,0,0,0|1,0,0]=3 875 B10R1.4 CC1=CC=CC=C1CC#N CNP0033758.0 [0,2,0,0,0,0|1,0,1]=4 876 B10R1.4 CC1=CC=CC=C1NC=O CNP0055612.0 [0,2,0,0,0,0|0,0,0]=2 877 B10R1.4 CC1=CC=NC=C1C=NO CNP0030608.0 [0,2,0,0,0,0|1,0,1]=4 878 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [0,2,0,0,0,0|1,0,1]=4 879 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [0,2,0,0,0,0|1,0,1]=4 880 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [0,2,0,0,0,0|1,0,1]=4 881 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [0,2,0,0,0,0|1,0,1]=4 882 B10R1.4 CN1C=CC=CC1=CN=O CNP0450996.0 [0,2,0,0,0,0|1,0,0]=3 883 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [0,2,0,0,0,0|0,0,2]=4 884 B10R1.4 C[N+]1=CC=CC=C1C=NO CNP0581381.0 [0,2,0,0,0,0|1,0,1]=4 885 B10R1.4 C[N+]1=CC=CC=C1C=N[O-] CNP0545972.0 [0,2,0,0,0,0|1,0,1]=4 886 B10R1.4 N#CCC1=CC=CC=C1O CNP0229755.0 [0,2,0,0,0,0|1,0,1]=4 887 B10R1.4 NC1=CC=CC=C1C=NO CNP0310844.0 [0,2,0,0,0,0|0,0,1]=3 888 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [0,2,0,0,0,0|1,0,1]=4 889 B10R1.4 NNC=C1C=CC=CC1=O CNP0076151.0 [0,2,0,0,0,0|1,0,0]=3 890 B10R1.4 O=CNC1=CC=CC=C1O CNP0482725.0 [0,2,0,0,0,0|0,0,0]=2 891 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [0,2,0,0,0,0|0,0,2]=4 892 B10R1.4 ON=CC1=CC=CC=C1Br CNP0040923.0 [0,2,0,0,0,0|0,0,1]=3 893 B10R1.4 ON=CC1=CC=CC=C1O CNP0177435.0 [0,2,0,0,0,0|0,0,1]=3 894 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [0,2,0,0,0,0|1,0,0]=3 895 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [0,2,0,0,0,0|1,0,0]=3 896 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [0,2,0,0,0,0|1,0,0]=3 897 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [0,2,0,0,0,0|1,0,0]=3 898 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [0,2,0,0,0,0|1,0,0]=3 899 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [0,2,0,0,0,0|1,0,1]=4 900 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [0,2,0,0,0,0|0,0,2]=4 901 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [0,2,0,0,0,0|0,1,1]=4 902 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [0,2,0,0,0,0|1,0,1]=4 903 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [0,2,0,0,0,0|0,0,2]=4 904 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [0,2,0,0,0,0|0,0,2]=4 905 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [0,2,0,0,0,0|0,0,2]=4 906 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [0,2,0,0,0,0|0,1,1]=4 907 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [0,2,0,0,0,0|0,1,1]=4 908 B10R1.17 N#CC=CC1=CC=CC=C1 CNP0156189.0 [0,2,0,0,0,0|1,0,0]=3 909 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [0,2,0,0,0,0|1,0,1]=4 910 B10R1.17 N#CSCC1=CC=CC=C1 CNP0192930.0 [0,2,0,0,0,0|0,1,1]=4 911 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [0,2,0,0,0,0|1,0,0]=3 912 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [0,2,0,0,0,0|1,0,1]=4 913 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [0,2,0,0,0,0|1,0,1]=4 914 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [0,2,0,0,0,0|0,0,1]=3 915 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [0,2,0,0,0,0|0,0,0]=2 916 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [0,2,0,0,0,0|0,0,0]=2 917 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [0,2,0,0,0,0|0,0,0]=2 918 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [0,2,0,0,0,0|0,0,0]=2 919 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [0,2,0,0,0,0|0,0,0]=2 920 B10R1.17 OCC#CC1=CC=CC=C1 CNP0492963.0 [0,2,0,0,0,0|0,0,2]=4 921 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [0,2,0,0,0,0|0,0,1]=3 922 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [0,2,0,0,0,0|0,0,2]=4 923 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [0,2,0,0,0,0|0,0,2]=4 924 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [0,2,0,0,0,0|0,0,2]=4 925 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [0,2,0,0,0,0|0,0,1]=3 926 B10R1.17 S=C=NCC1=CC=CC=C1 CNP0122123.0 [0,2,0,0,0,0|0,1,1]=4 927 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [0,2,0,0,0,0|0,1,0]=3 928 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [0,2,0,0,0,0|0,1,0]=3 929 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [0,2,0,0,0,0|1,0,0]=3 930 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [0,2,0,0,0,0|1,0,0]=3 931 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [0,2,0,0,0,0|1,0,0]=3 932 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [0,2,0,0,0,0|1,0,0]=3 933 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [0,2,0,0,0,0|0,0,0]=2 934 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [0,2,0,0,0,0|0,0,0]=2 935 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [0,2,0,0,0,0|0,0,0]=2 936 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [0,2,0,0,0,0|1,0,0]=3 937 B10R1.18 CC(=O)OC1=CCC=CO1 CNP0436618.0 [0,2,0,0,0,0|1,0,1]=4 938 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [0,2,0,0,0,0|0,1,0]=3 939 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [0,2,0,0,0,0|1,0,1]=4 940 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [0,2,0,0,0,0|1,0,1]=4 941 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [0,2,0,0,0,0|1,0,1]=4 942 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [0,2,0,0,0,0|1,0,1]=4 943 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [0,2,0,0,0,0|1,0,1]=4 944 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [0,2,0,0,0,0|0,0,2]=4 945 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [0,2,0,0,0,0|0,0,2]=4 946 B10R1.18 ClB(Cl)OC1=CC=CC=C1 CNP0308358.0 [0,2,0,0,0,0|2,0,0]=4 947 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [0,2,0,0,0,0|1,0,0]=3 948 B10R1.18 N=C(N)NC1=CC=CN=C1 CNP0217944.0 [0,2,0,0,0,0|2,0,0]=4 949 B10R1.18 N=C(S)NC1=CC=CC=C1 CNP0521272.0 [0,2,0,0,0,0|0,1,0]=3 950 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [0,2,0,0,0,0|0,0,0]=2 951 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [0,2,0,0,0,0|1,0,0]=3 952 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [0,2,0,0,0,0|0,0,0]=2 953 B10R1.18 NC(=S)CC1=CC=CC=N1 CNP0060644.0 [0,2,0,0,0,0|1,1,0]=4 954 B10R1.18 NC(=S)NC1=CC=CC=C1 CNP0415622.0 [0,2,0,0,0,0|0,1,0]=3 955 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [0,2,0,0,0,0|0,0,0]=2 956 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [0,2,0,0,0,0|0,0,0]=2 957 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [0,2,0,0,0,0|0,0,0]=2 958 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [0,2,0,0,0,0|1,0,0]=3 959 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [0,2,0,0,0,0|0,0,0]=2 960 B10R1.20 C=CC1=CC=CC=C1OC CNP0201512.0 [0,2,0,0,0,0|1,0,0]=3 961 B10R1.20 CCC1=CC=CC=C1C=O CNP0565429.0 [0,2,0,0,0,0|0,0,0]=2 962 B10R1.20 CCC1=CC=CC=C1CC CNP0132869.0 [0,2,0,0,0,0|1,0,1]=4 963 B10R1.20 CCC1=CC=CC=C1CO CNP0418111.0 [0,2,0,0,0,0|0,0,2]=4 964 B10R1.20 CCC1=CC=CC=C1OC CNP0246064.0 [0,2,0,0,0,0|1,0,1]=4 965 B10R1.20 CNC1=CC=CC=C1C=O CNP0169354.0 [0,2,0,0,0,0|0,0,0]=2 966 B10R1.20 CNC1=CC=CC=C1CO CNP0310287.0 [0,2,0,0,0,0|0,0,2]=4 967 B10R1.20 COC1=CC=CC=C1C=O CNP0183883.0 [0,2,0,0,0,0|0,0,0]=2 968 B10R1.20 COC1=CC=CC=C1CCl CNP0053789.0 [0,2,0,0,0,0|1,0,1]=4 969 B10R1.20 COC1=CC=CC=C1CN CNP0294075.0 [0,2,0,0,0,0|1,0,1]=4 970 B10R1.20 COC1=CC=CC=C1CO CNP0047350.0 [0,2,0,0,0,0|0,0,2]=4 971 B10R1.20 COC1=CC=CC=C1OC CNP0141393.0 [0,2,0,0,0,0|2,0,0]=4 972 B10R1.20 N#CC1=CC=CC=C1CBr CNP0046063.0 [0,2,0,0,0,0|1,0,1]=4 973 B10R1.20 O=CC1=CC=CC=C1C=O CNP0478589.0 [0,2,0,0,0,0|0,0,0]=2 974 B10R1.20 SCC1=CC=CC=C1CS CNP0028178.0 [0,2,0,0,0,0|0,1,1]=4 975 B10R1.245 CC1=CC=CC(=C1C#N)C CNP0139271.0 [0,2,0,0,0,0|1,0,1]=4 976 B10R1.245 CC1=CC=CC(=C1C=O)C CNP0561651.0 [0,2,0,0,0,0|0,0,0]=2 977 B10R1.245 CC1=CC=CC(=C1C=O)O CNP0298218.0 [0,2,0,0,0,0|0,0,0]=2 978 B10R1.245 CC1=CC=CC(=C1CO)O CNP0321165.0 [0,2,0,0,0,0|0,0,2]=4 979 B10R1.245 CCC1=C(C=CC=C1C)C CNP0182931.0 [0,2,0,0,0,0|1,0,1]=4 980 B10R1.245 CNC1=C(C=CC=C1C)C CNP0282095.0 [0,2,0,0,0,0|2,0,0]=4 981 B10R1.245 COC1=C(C=CC=C1Br)Br CNP0017925.0 [0,2,0,0,0,0|2,0,0]=4 982 B10R1.245 COC1=C(C=CC=C1C)C CNP0308029.0 [0,2,0,0,0,0|2,0,0]=4 983 B10R1.245 COC1=C(C=CC=C1Cl)Cl CNP0143389.0 [0,2,0,0,0,0|2,0,0]=4 984 B10R1.245 COC1=C(C=CC=C1O)O CNP0193285.0 [0,2,0,0,0,0|2,0,0]=4 985 B10R1.245 N#CC1=C(C=CC=C1Cl)Cl CNP0161827.0 [0,2,0,0,0,0|1,0,1]=4 986 B8R1.22 O=C1C=CC=CC=C1 CNP0609083.0 [0,0,1,1,0,0|0,0,0]=2 987 B8R1.49 C1=CC=CC=CC=C1 CNP0580614.0 [0,0,1,1,0,0|1,0,0]=3 988 B8R1.49 C1=CCC=CCC=C1 CNP0540029.0 [0,0,1,1,0,0|1,0,1]=4 989 B8R2.25 C1=CC=C2CC2=C1 CNP0076757.0 [1,0,0,1,0,0|0,0,1]=3 990 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [0,1,0,1,0,0|0,0,2]=4 991 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [0,1,0,1,0,0|0,0,2]=4 992 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [0,1,0,1,0,0|1,0,1]=4 993 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [0,1,0,1,0,0|1,0,1]=4 994 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [0,1,0,1,0,0|1,0,1]=4 995 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [0,1,0,1,0,0|1,0,1]=4 996 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [0,1,0,1,0,0|1,0,1]=4 997 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [0,1,0,1,0,0|1,0,1]=4 998 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [0,1,0,1,0,0|0,0,0]=2 999 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [0,1,0,1,0,0|0,0,2]=4 1000 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [0,1,0,1,0,0|0,0,2]=4 1001 B10R2.7 B1OC2=CC=CC=C2O1 CNP0578277.0 [0,1,0,1,0,0|1,0,1]=4 1002 B10R2.7 C1=CC2=C(C=N1)SC=C2 CNP0610548.0 [0,1,0,1,0,0|1,1,0]=4 1003 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [0,1,0,1,0,0|1,0,0]=3 1004 B10R2.7 C1=CC2=CC=CC=C2[N]1 CNP0479391.0 [0,1,0,1,0,0|1,0,0]=3 1005 B10R2.7 C1=CC2=CC=CN2C=C1 CNP0429574.0 [0,1,0,1,0,0|2,0,0]=4 1006 B10R2.7 C1=CC2=COC=C2C=C1 CNP0531832.0 [0,1,0,1,0,0|0,0,1]=3 1007 B10R2.7 C1=CC2=CON=C2C=C1 CNP0552561.0 [0,1,0,1,0,0|0,0,1]=3 1008 B10R2.7 C1=CC2=CSC=C2C=C1 CNP0596171.0 [0,1,0,1,0,0|0,1,0]=3 1009 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [0,1,0,1,0,0|2,0,0]=4 1010 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [0,1,0,1,0,0|1,0,1]=4 1011 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [0,1,0,1,0,0|0,0,2]=4 1012 B10R2.7 C1=CC=C2NC=CC2=C1 CNP0118430.0 [0,1,0,1,0,0|1,0,0]=3 1013 B10R2.7 C1=CC=C2NC=NC2=C1 CNP0449067.0 [0,1,0,1,0,0|1,0,0]=3 1014 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [0,1,0,1,0,0|1,0,1]=4 1015 B10R2.7 C1=CC=C2NN=CC2=C1 CNP0438721.0 [0,1,0,1,0,0|1,0,0]=3 1016 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [0,1,0,1,0,0|0,0,1]=3 1017 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [0,1,0,1,0,0|0,0,1]=3 1018 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [0,1,0,1,0,0|0,0,2]=4 1019 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [0,1,0,1,0,0|0,0,2]=4 1020 B10R2.7 C1=CC=C2SC=CC2=C1 CNP0172612.0 [0,1,0,1,0,0|0,1,0]=3 1021 B10R2.7 C1=CC=C2SC=NC2=C1 CNP0300295.0 [0,1,0,1,0,0|0,1,0]=3 1022 B10R2.7 C1=CC=C2SCSC2=C1 CNP0075064.0 [0,1,0,1,0,0|0,1,1]=4 1023 B10R2.7 C1=CC=C2SN=CC2=C1 CNP0551467.0 [0,1,0,1,0,0|0,1,0]=3 1024 B10R2.7 C1=CN=C2NC=CC2=C1 CNP0134937.0 [0,1,0,1,0,0|2,0,0]=4 1025 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [0,1,0,1,0,0|1,0,0]=3 1026 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [1,0,0,0,1,0|1,0,0]=3 1027 B6R1.2 C=C1C=CCC1 CNP0269204.0 [1,0,0,0,1,0|0,0,2]=4 1028 B6R1.2 CC1=CC=CN1 CNP0003130.0 [1,0,0,0,1,0|1,0,1]=4 1029 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,0,1,0|1,0,1]=4 1030 B6R1.2 CC1=CC=CS1 CNP0308280.0 [1,0,0,0,1,0|1,0,1]=4 1031 B6R1.2 CC1=CNC=C1 CNP0578230.0 [1,0,0,0,1,0|1,0,1]=4 1032 B6R1.2 CC1=COC=C1 CNP0401605.0 [1,0,0,0,1,0|1,0,1]=4 1033 B6R1.2 CC1=CSC=C1 CNP0153726.0 [1,0,0,0,1,0|1,0,1]=4 1034 B6R1.2 CN1C=CC=C1 CNP0084622.0 [1,0,0,0,1,0|1,0,1]=4 1035 B6R1.2 NN1C=CC=C1 CNP0148646.0 [1,0,0,0,1,0|2,0,0]=4 1036 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,0,1,0|0,0,2]=4 1037 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,0,1,0|1,0,1]=4 1038 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [1,0,0,0,1,0|2,0,0]=4 1039 B6R1.2 O=C1C=CNO1 CNP0275546.0 [1,0,0,0,1,0|2,0,0]=4 1040 B6R1.2 O=C1C=COO1 CNP0482120.0 [1,0,0,0,1,0|2,0,0]=4 1041 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,0,1,0|1,0,1]=4 1042 B6R1.2 O=C1OC=CO1 CNP0585701.0 [1,0,0,0,1,0|2,0,0]=4 1043 B6R1.2 OC1=CC=CO1 CNP0600093.0 [1,0,0,0,1,0|1,0,1]=4 1044 B6R1.2 SC1=CC=CS1 CNP0113015.0 [1,0,0,0,1,0|1,1,0]=4 1045 B6R1.2 SC1=CSC=C1 CNP0208450.0 [1,0,0,0,1,0|1,1,0]=4