0 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [0,0,0,0,0,0|0,0,2]=2 4 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [0,0,0,0,0,0|1,0,2]=3 6 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [0,0,0,0,0,0|1,0,2]=3 7 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.6 CC(C)C1=CCC=CC1 CNP0531274.0 [0,0,0,0,0,0|1,0,2]=3 11 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.6 CN(C)C1=CC=NC=C1 CNP0362397.0 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [0,0,0,0,0,0|0,0,0]=0 17 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [0,0,0,0,0,0|1,0,0]=1 18 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [0,0,0,0,0,0|0,0,0]=0 19 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [0,0,0,0,0,0|1,0,1]=2 20 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.6 N=C(S)C1=CC=CN=C1 CNP0553237.0 [0,0,0,0,0,0|2,1,1]=4 22 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [0,0,0,0,0,0|1,0,2]=3 23 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [0,0,0,0,0,0|2,0,2]=4 24 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [0,0,0,0,0,0|2,0,2]=4 25 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [0,0,0,0,0,0|2,0,2]=4 26 B9R1.6 NC(=S)C1=CC=CN=C1 CNP0184066.0 [0,0,0,0,0,0|2,1,1]=4 27 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [0,0,0,0,0,0|2,0,2]=4 28 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [0,0,0,0,0,0|2,0,2]=4 29 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [0,0,0,0,0,0|2,0,2]=4 30 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [0,0,0,0,0,0|1,0,1]=2 31 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [0,0,0,0,0,0|2,0,1]=3 32 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [0,0,0,0,0,0|2,0,1]=3 33 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [0,0,0,0,0,0|2,0,1]=3 34 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [0,0,0,0,0,0|1,0,2]=3 36 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [0,0,0,0,0,0|1,0,2]=3 37 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [0,0,0,0,0,0|1,0,2]=3 38 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [0,0,0,0,0,0|1,0,2]=3 39 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [0,0,0,0,0,0|2,0,2]=4 40 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [0,0,0,0,0,0|2,0,2]=4 41 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [0,0,0,0,0,0|2,0,1]=3 42 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [0,0,0,0,0,0|2,0,1]=3 43 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [0,0,0,0,0,0|2,0,0]=2 44 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [0,0,0,0,0,0|2,0,0]=2 45 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [0,0,0,0,0,0|2,0,0]=2 46 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [0,0,0,0,0,0|2,0,0]=2 47 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [1,0,0,0,0,0|0,0,2]=3 49 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [1,0,0,0,0,0|0,0,2]=3 50 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [1,0,0,0,0,0|1,0,2]=4 51 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [1,0,0,0,0,0|1,0,2]=4 52 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [1,0,0,0,0,0|0,0,0]=1 53 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [1,0,0,0,0,0|1,0,0]=2 54 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [1,0,0,0,0,0|1,0,0]=2 55 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [1,0,0,0,0,0|1,0,0]=2 57 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [1,0,0,0,0,0|1,0,0]=2 58 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [1,0,0,0,0,0|1,0,0]=2 59 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [1,0,0,0,0,0|1,0,1]=3 62 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [1,0,0,0,0,0|1,0,0]=2 64 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [1,0,0,0,0,0|1,0,0]=2 66 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [1,0,0,0,0,0|1,0,1]=3 67 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.2 N#CC1=CC=NC=C1 CNP0375790.0 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [1,0,0,0,0,0|1,0,0]=2 71 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [1,0,0,0,0,0|0,0,2]=3 75 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [1,0,0,0,0,0|1,0,2]=4 76 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [1,0,0,0,0,0|1,0,2]=4 77 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [1,0,0,0,0,0|1,0,1]=3 78 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [1,0,0,0,0,0|2,0,1]=4 79 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [1,0,0,0,0,0|0,0,0]=1 80 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [1,0,0,0,0,0|0,0,2]=3 81 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [1,0,0,0,0,0|1,0,0]=2 82 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [1,0,0,0,0,0|1,0,0]=2 83 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [1,0,0,0,0,0|0,1,1]=3 84 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [1,0,0,0,0,0|0,1,0]=2 85 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [1,0,0,0,0,0|1,1,0]=3 86 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [1,0,0,0,0,0|1,1,0]=3 87 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [1,0,0,0,0,0|2,1,0]=4 88 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [1,0,0,0,0,0|0,0,0]=1 89 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [1,0,0,0,0,0|0,0,1]=2 90 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [0,1,0,0,0,0|1,0,1]=3 91 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [0,1,0,0,0,0|0,0,2]=3 93 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [0,1,0,0,0,0|0,0,2]=3 94 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [0,1,0,0,0,0|0,0,2]=3 95 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [0,1,0,0,0,0|0,0,2]=3 96 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [0,1,0,0,0,0|0,0,2]=3 97 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [0,1,0,0,0,0|1,0,2]=4 98 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [0,1,0,0,0,0|1,0,2]=4 99 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [0,1,0,0,0,0|1,0,0]=2 100 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [0,1,0,0,0,0|1,0,0]=2 101 B10R1.13 CC(C)C1=CC[C@@H](C=C1)C CNP0316117.2 [0,1,0,0,0,0|1,0,2]=4 102 B10R1.13 CC(C)C1=CC[C@H](C=C1)C CNP0316117.1 [0,1,0,0,0,0|1,0,2]=4 103 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [0,1,0,0,0,0|1,0,0]=2 104 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [0,1,0,0,0,0|1,0,2]=4 105 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [0,1,0,0,0,0|1,0,2]=4 106 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [0,1,0,0,0,0|1,0,2]=4 107 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [0,1,0,0,0,0|1,0,1]=3 108 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [0,1,0,0,0,0|0,0,0]=1 110 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [0,1,0,0,0,0|0,0,0]=1 111 B10R1.13 CC1=CC=C(C=N1)[C@H](C)N CNP0243226.1 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.13 CC1=CC=C(CC1)C(C)C CNP0178656.0 [0,1,0,0,0,0|1,0,2]=4 113 B10R1.13 CC1=CCC(=CC1)C(C)C CNP0255720.0 [0,1,0,0,0,0|1,0,2]=4 114 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C CNP0162506.2 [0,1,0,0,0,0|1,0,2]=4 115 B10R1.13 CC1=CC[C@H](C=C1)C(C)C CNP0162506.1 [0,1,0,0,0,0|1,0,2]=4 116 B10R1.13 CC1=CN=C(C=N1)C(C)C CNP0266332.0 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.13 CN(N)C1=CC=[N+](C=C1)[O-] CNP0580487.0 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [0,1,0,0,0,0|0,0,0]=1 120 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [0,1,0,0,0,0|0,0,0]=1 121 B10R1.13 N=C(N)C1=CC=C(C=C1)N CNP0095026.0 [0,1,0,0,0,0|2,0,1]=4 122 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [0,1,0,0,0,0|1,0,2]=4 123 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [0,1,0,0,0,0|1,0,1]=3 124 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [0,1,0,0,0,0|1,0,2]=4 125 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [0,1,0,0,0,0|1,0,2]=4 126 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] CNP0491985.0 [0,1,0,0,0,0|2,0,1]=4 127 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [0,1,0,0,0,0|1,0,1]=3 128 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [0,1,0,0,0,0|1,0,1]=3 129 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [0,1,0,0,0,0|1,0,1]=3 130 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [0,1,0,0,0,0|1,0,1]=3 131 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [0,1,0,0,0,0|2,0,1]=4 132 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.13 O=C(O)C1=CNC(=O)C=C1 CNP0533542.0 [0,1,0,0,0,0|2,0,1]=4 134 B10R1.13 O=C(O)C1=COC(=O)C=C1 CNP0363999.0 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [0,1,0,0,0,0|1,0,2]=4 136 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [0,1,0,0,0,0|1,0,2]=4 137 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [0,1,0,0,0,0|0,0,3]=4 139 B10R1.15 C#CC(O)C1=CC=CC=C1 CNP0086091.0 [0,1,0,0,0,0|0,0,1]=2 140 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [0,1,0,0,0,0|0,0,3]=4 141 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [0,1,0,0,0,0|1,0,2]=4 142 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [0,1,0,0,0,0|0,0,3]=4 143 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [0,1,0,0,0,0|0,0,1]=2 144 B10R1.15 C=C[S@+]([O-])C1=CC=CC=C1 CNP0518074.1 [0,1,0,0,0,0|1,0,2]=4 145 B10R1.15 C=C[S@H+]([O-])C1=CC=CC=C1 CNP0479535.1 [0,1,0,0,0,0|1,0,2]=4 146 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [0,1,0,0,0,0|0,0,1]=2 147 B10R1.15 CC(=NO)C1=CC=CC=N1 CNP0145934.0 [0,1,0,0,0,0|1,0,1]=3 148 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [0,1,0,0,0,0|0,0,1]=2 149 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [0,1,0,0,0,0|1,0,1]=3 151 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [0,1,0,0,0,0|0,0,2]=3 152 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [0,1,0,0,0,0|1,0,2]=4 153 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [0,1,0,0,0,0|1,0,0]=2 154 B10R1.15 CCC(C)C1=CN=CC=N1 CNP0519520.0 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [0,1,0,0,0,0|1,0,0]=2 156 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [0,1,0,0,0,0|0,0,0]=1 157 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [0,1,0,0,0,0|1,0,0]=2 158 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [0,1,0,0,0,0|1,0,1]=3 159 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [0,1,0,0,0,0|0,0,2]=3 160 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [0,1,0,0,0,0|1,0,2]=4 161 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [0,1,0,0,0,0|1,0,0]=2 162 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [0,1,0,0,0,0|0,0,2]=3 163 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [0,1,0,0,0,0|1,0,2]=4 164 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [0,1,0,0,0,0|1,0,2]=4 165 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [0,1,0,0,0,0|0,0,0]=1 166 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [0,1,0,0,0,0|0,0,2]=3 167 B10R1.15 CS[S@+]([O-])C1=CC=CC=N1 CNP0536900.1 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.15 CS[S@H+]([O-])C1=CC=CC=N1 CNP0548879.1 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [0,1,0,0,0,0|1,0,0]=2 170 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [0,1,0,0,0,0|0,0,0]=1 171 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [0,1,0,0,0,0|1,0,0]=2 172 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [0,1,0,0,0,0|1,0,0]=2 173 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [0,1,0,0,0,0|0,0,3]=4 174 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 CNP0193863.2 [0,1,0,0,0,0|0,0,1]=2 175 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 CNP0193863.1 [0,1,0,0,0,0|0,0,1]=2 176 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [0,1,0,0,0,0|1,0,1]=3 177 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [0,1,0,0,0,0|0,0,2]=3 178 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [0,1,0,0,0,0|0,0,0]=1 179 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [0,1,0,0,0,0|0,0,0]=1 180 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [0,1,0,0,0,0|1,0,2]=4 181 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [0,1,0,0,0,0|0,0,2]=3 182 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [0,1,0,0,0,0|0,0,2]=3 183 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [0,1,0,0,0,0|1,0,1]=3 184 B10R1.15 O=C(NO)C1=CC=CN=C1 CNP0109606.0 [0,1,0,0,0,0|2,0,1]=4 185 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [0,1,0,0,0,0|0,0,3]=4 186 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [0,1,0,0,0,0|0,0,1]=2 187 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [0,1,0,0,0,0|0,0,2]=3 188 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [0,1,0,0,0,0|0,0,0]=1 189 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [0,1,0,0,0,0|0,0,0]=1 190 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [0,1,0,0,0,0|0,0,0]=1 191 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [0,1,0,0,0,0|0,0,0]=1 192 B10R1.28 CC(C)(C)C1=CC=CC=C1 CNP0125248.0 [0,1,0,0,0,0|1,0,0]=2 193 B10R1.28 CC(C)(C)C1=CC=CCC1 CNP0063000.0 [0,1,0,0,0,0|1,0,2]=4 194 B10R1.28 CC(C)(O)C1=CC=CC=C1 CNP0423296.0 [0,1,0,0,0,0|0,0,0]=1 195 B10R1.28 C[N+](C)([O-])C1=CC=CC=C1 CNP0569475.0 [0,1,0,0,0,0|1,0,1]=3 196 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 CNP0601518.0 [0,1,0,0,0,0|2,0,1]=4 197 B10R1.28 O=[As](O)(O)C1=CC=CC=C1 CNP0364175.0 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [0,1,0,0,0,0|1,0,1]=3 199 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [0,1,0,0,0,0|0,0,2]=3 200 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [0,1,0,0,0,0|0,0,2]=3 201 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [0,1,0,0,0,0|0,0,2]=3 202 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [0,1,0,0,0,0|1,0,2]=4 203 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [0,1,0,0,0,0|1,0,2]=4 204 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [0,1,0,0,0,0|1,0,2]=4 205 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [0,1,0,0,0,0|1,0,0]=2 206 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [0,1,0,0,0,0|0,1,0]=2 207 B10R1.61 CC1=C(C=COC1)C(C)C CNP0183194.0 [0,1,0,0,0,0|2,0,1]=4 208 B10R1.61 CC1=C(OCC=C1)C(C)C CNP0344214.0 [0,1,0,0,0,0|2,0,1]=4 209 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [0,1,0,0,0,0|1,0,2]=4 210 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [0,1,0,0,0,0|1,0,1]=3 211 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [0,1,0,0,0,0|1,0,0]=2 212 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [0,1,0,0,0,0|2,0,1]=4 213 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [0,1,0,0,0,0|2,0,1]=4 214 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [0,1,0,0,0,0|1,0,2]=4 216 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [0,1,0,0,0,0|1,0,2]=4 217 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [0,1,0,0,0,0|1,0,2]=4 218 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [0,1,0,0,0,0|1,0,1]=3 219 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] CNP0571893.0 [0,1,0,0,0,0|2,0,1]=4 220 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [0,1,0,0,0,0|1,0,1]=3 221 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [0,1,0,0,0,0|1,0,1]=3 222 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [0,1,0,0,0,0|1,0,1]=3 223 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [0,1,0,0,0,0|1,0,1]=3 224 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [0,1,0,0,0,0|1,0,1]=3 225 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] CNP0602908.0 [0,1,0,0,0,0|2,0,1]=4 226 B10R1.61 O=C(O)C1=CC=NC=C1Br CNP0504363.0 [0,1,0,0,0,0|2,0,1]=4 227 B10R1.61 O=C(O)C1=CC=NC=C1O CNP0519260.0 [0,1,0,0,0,0|2,0,1]=4 228 B10R1.61 O=C(O)C1=CN=CC=C1O CNP0530780.0 [0,1,0,0,0,0|2,0,1]=4 229 B10R1.61 O=C(O)C1=CNC=CC1=O CNP0248624.0 [0,1,0,0,0,0|2,0,1]=4 230 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [0,1,0,0,0,0|2,0,1]=4 231 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [0,1,0,0,0,0|1,0,2]=4 232 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [0,1,0,0,0,0|1,0,2]=4 233 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [0,1,0,0,0,0|1,0,2]=4 234 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [0,1,0,0,0,0|1,0,2]=4 235 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [0,1,0,0,0,0|2,0,1]=4 236 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [0,1,0,0,0,0|1,0,1]=3 238 B10R1.113 C=C(C)C1=CC=NC(=C1)C CNP0589096.0 [0,1,0,0,0,0|2,0,1]=4 239 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [0,1,0,0,0,0|1,0,2]=4 240 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [0,1,0,0,0,0|0,0,2]=3 241 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [0,1,0,0,0,0|0,0,2]=3 242 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [0,1,0,0,0,0|1,0,2]=4 243 B10R1.113 CC(=O)C1=CC=NC(=C1)C CNP0130309.0 [0,1,0,0,0,0|1,0,2]=4 244 B10R1.113 CC(C)C1=CC(=O)OC=C1 CNP0193118.0 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.113 CC(C)C1=CC=CC(=C1)O CNP0246144.0 [0,1,0,0,0,0|1,0,0]=2 246 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [0,1,0,0,0,0|0,0,0]=1 247 B10R1.113 CC1=CC(=CC=N1)C(=O)O CNP0260041.0 [0,1,0,0,0,0|2,0,1]=4 248 B10R1.113 CC1=CC(=CC=N1)C(C)C CNP0586055.0 [0,1,0,0,0,0|2,0,0]=3 249 B10R1.113 CC1=CC(=CC=N1)N(C)C CNP0436330.0 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.113 CC1=CC=CC(=C1)C(=O)Cl CNP0329068.0 [0,1,0,0,0,0|1,0,2]=4 251 B10R1.113 CC1=CC=CC(=C1)C(=O)N CNP0150793.0 [0,1,0,0,0,0|1,0,2]=4 252 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [0,1,0,0,0,0|1,0,1]=3 253 B10R1.113 CC1=CC=CC(=C1)C(C)C CNP0151774.0 [0,1,0,0,0,0|1,0,0]=2 254 B10R1.113 CC1=CC=CC(=C1)I(O)O CNP0604420.0 [0,1,0,0,0,0|2,0,0]=3 255 B10R1.113 CC1=CC=CC(=C1)N(C)C CNP0030877.0 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.113 CC1=CC=CC(=N1)C(Br)Br CNP0382790.0 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.113 CC1=CC=NC(=C1)C(C)C CNP0555146.0 [0,1,0,0,0,0|2,0,0]=3 258 B10R1.113 CC1=CN=CC(=C1)C(=O)O CNP0520053.0 [0,1,0,0,0,0|2,0,1]=4 259 B10R1.113 CC1=CN=CC(=N1)C(C)C CNP0492233.0 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.113 CN(C)C1=CC=CC(=C1)Cl CNP0339431.0 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [0,1,0,0,0,0|0,0,0]=1 262 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0524507.0 [0,1,0,0,0,0|2,0,1]=4 263 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0588667.0 [0,1,0,0,0,0|2,0,1]=4 264 B10R1.113 NC(=O)C1=CC=CC(=C1)Br CNP0018100.0 [0,1,0,0,0,0|1,0,2]=4 265 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CNP0036584.0 [0,1,0,0,0,0|1,0,2]=4 266 B10R1.113 NC(=O)C1=CC=CC(=C1)N CNP0576660.0 [0,1,0,0,0,0|1,0,2]=4 267 B10R1.113 NC(=O)C1=CC=CC(=C1)O CNP0113657.0 [0,1,0,0,0,0|1,0,2]=4 268 B10R1.113 NC1=CC=CC(=C1)B(O)O CNP0479159.0 [0,1,0,0,0,0|2,0,0]=3 269 B10R1.113 NC1=CC=CC(=C1)C(=O)O CNP0081123.0 [0,1,0,0,0,0|1,0,1]=3 270 B10R1.113 NC1=CC=CC(=C1)[N+](=O)[O-] CNP0574552.0 [0,1,0,0,0,0|2,0,1]=4 271 B10R1.113 O=C(Cl)C1=CC=CC(=C1)Br CNP0018295.0 [0,1,0,0,0,0|1,0,2]=4 272 B10R1.113 O=C(O)C1=CC=CC(=C1)Br CNP0356258.0 [0,1,0,0,0,0|1,0,1]=3 273 B10R1.113 O=C(O)C1=CC=CC(=C1)Cl CNP0206363.0 [0,1,0,0,0,0|1,0,1]=3 274 B10R1.113 O=C(O)C1=CC=CC(=C1)O CNP0217243.0 [0,1,0,0,0,0|1,0,1]=3 275 B10R1.113 O=C(O)C1=CC=C[N+](=C1)[O-] CNP0486873.0 [0,1,0,0,0,0|2,0,1]=4 276 B10R1.113 O=C(O)C1=CN=CC(=C1)O CNP0573743.0 [0,1,0,0,0,0|2,0,1]=4 277 B8R0.7 CC/C=C/C=C/[C@H](C)O CNP0374184.1 [0,0,1,0,0,0|0,0,2]=3 278 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [0,0,1,0,0,0|1,0,2]=4 279 B8R0.8 C=C(CC=CC)C(C)C CNP0184653.0 [0,0,1,0,0,0|1,0,2]=4 280 B8R0.8 C=C/C=C/[C@@H](O)[C@@H](C)O CNP0429194.1 [0,0,1,0,0,0|1,0,1]=3 281 B8R0.15 C=CC(=CC=O)C(=O)O CNP0182283.0 [0,0,1,0,0,0|2,0,1]=4 282 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [0,0,0,1,0,0|0,0,0]=1 283 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [0,0,0,1,0,0|0,0,0]=1 284 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [0,0,0,1,0,0|1,0,0]=2 285 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [0,0,0,1,0,0|1,0,0]=2 286 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [0,0,0,1,0,0|1,0,0]=2 287 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [0,0,0,1,0,0|1,0,0]=2 288 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [0,0,0,1,0,0|1,0,0]=2 289 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [0,0,0,1,0,0|1,0,0]=2 290 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [0,0,0,1,0,0|0,0,2]=3 291 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [0,0,0,1,0,0|0,0,0]=1 292 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [0,0,0,1,0,0|0,0,0]=1 293 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,0,0,0,1,0|1,0,1]=3 294 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [0,0,0,0,1,0|1,0,2]=4 295 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,0,0,0,1,0|1,0,2]=4 296 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [0,0,0,0,1,0|1,0,2]=4 297 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [0,0,0,0,1,0|1,0,2]=4 298 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [0,0,0,0,1,0|1,0,2]=4 299 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [0,0,0,0,1,0|2,0,0]=3 300 B8R1.7 CC(C)N1C=CC=C1 CNP0119007.0 [0,0,0,0,1,0|2,0,0]=3 301 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,0,0,0,1,0|1,0,0]=2 302 B8R1.7 CC(O)C1=COC=C1 CNP0571586.0 [0,0,0,0,1,0|1,0,0]=2 303 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [0,0,0,0,1,0|1,1,0]=3 304 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [0,0,0,0,1,0|2,0,1]=4 305 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [0,0,0,0,1,0|2,0,1]=4 306 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [0,0,0,0,1,0|2,0,1]=4 307 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [0,0,0,0,1,0|2,0,1]=4 308 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [0,0,0,0,1,0|2,0,1]=4 309 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [0,0,0,0,0,1|2,0,1]=4 310 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [0,0,0,0,0,1|1,0,1]=3 311 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [0,0,0,0,0,1|1,0,1]=3 312 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [0,0,0,0,0,1|1,0,1]=3 313 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [0,0,0,0,0,1|0,0,2]=3 314 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [0,0,0,0,0,1|0,0,2]=3 315 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [0,0,0,0,0,1|0,0,2]=3 316 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [0,0,0,0,0,1|1,0,2]=4 317 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [0,0,0,0,0,1|0,1,1]=3 318 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [0,0,0,0,0,1|1,0,0]=2 319 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [0,0,0,0,0,1|2,0,0]=3 320 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [0,0,0,0,0,1|2,0,0]=3 321 B10R1.18 CC(C)CC1=CN=CC=N1 CNP0525253.0 [0,0,0,0,0,1|3,0,0]=4 322 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [0,0,0,0,0,1|1,0,0]=2 323 B10R1.18 CC(C)NC1=NC=CC=N1 CNP0044861.0 [0,0,0,0,0,1|3,0,0]=4 324 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [0,0,0,0,0,1|2,0,0]=3 325 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [0,0,0,0,0,1|1,0,0]=2 326 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [0,0,0,0,0,1|1,0,0]=2 327 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [0,0,0,0,0,1|1,0,1]=3 328 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [0,0,0,0,0,1|1,0,1]=3 329 B10R1.18 ClB(Cl)OC1=CC=CC=C1 CNP0308358.0 [0,0,0,0,0,1|3,0,0]=4 330 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [0,0,0,0,0,1|2,0,1]=4 331 B10R1.18 N=C(S)NC1=CC=CC=C1 CNP0521272.0 [0,0,0,0,0,1|1,1,1]=4 332 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [0,0,0,0,0,1|1,0,2]=4 333 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [0,0,0,0,0,1|1,0,2]=4 334 B10R1.18 NC(=S)NC1=CC=CC=C1 CNP0415622.0 [0,0,0,0,0,1|1,1,1]=4 335 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [0,0,0,0,0,1|1,0,2]=4 336 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [0,0,0,0,0,1|1,0,2]=4 337 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [0,0,0,0,0,1|1,0,1]=3 338 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [0,0,0,0,0,1|2,0,1]=4 339 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [0,0,0,0,0,1|1,0,2]=4 340 B7R0.1 C=CC=CC=CCC CNP0261432.0 [1,0,1,0,0,0|0,0,0]=2 341 B7R0.1 C=CC=CCC=CC CNP0290357.0 [1,0,1,0,0,0|0,0,2]=4 342 B7R0.1 C=CC=CCCCC CNP0084214.0 [1,0,1,0,0,0|0,0,2]=4 343 B7R0.1 CC=CC=CC=CC CNP0185443.0 [1,0,1,0,0,0|0,0,2]=4 344 B7R0.1 CC=CC=CCCC CNP0275494.0 [1,0,1,0,0,0|0,0,2]=4 345 B7R0.1 CC=CCC=CCO CNP0168622.0 [1,0,1,0,0,0|0,0,2]=4 346 B7R0.1 CCC=CC=CC=O CNP0276667.0 [1,0,1,0,0,0|1,0,0]=3 347 B7R0.1 CCC=CC=CCC CNP0546897.0 [1,0,1,0,0,0|0,0,2]=4 348 B7R0.1 CCC=CC=CCO CNP0332799.0 [1,0,1,0,0,0|0,0,2]=4 349 B7R0.1 CCCC=CC=CO CNP0524724.0 [1,0,1,0,0,0|1,0,1]=4 350 B7R0.1 O=CC=CC=CCO CNP0296757.0 [1,0,1,0,0,0|1,0,0]=3 351 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [1,0,1,0,0,0|2,0,0]=4 352 B7R0.12 C=CC(=CCO)CC CNP0076437.0 [1,0,1,0,0,0|1,0,1]=4 353 B7R0.12 C=C[C@@H](/C=C/C)CC CNP0401910.1 [1,0,1,0,0,0|0,0,2]=4 354 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [2,0,0,0,0,0|1,0,0]=3 355 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [2,0,0,0,0,0|0,0,2]=4 356 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [2,0,0,0,0,0|0,0,0]=2 357 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [2,0,0,0,0,0|1,0,0]=3 358 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [2,0,0,0,0,0|0,0,2]=4 359 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [2,0,0,0,0,0|1,0,0]=3 360 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [2,0,0,0,0,0|1,0,0]=3 361 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [2,0,0,0,0,0|2,0,0]=4 362 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [2,0,0,0,0,0|0,0,2]=4 363 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [2,0,0,0,0,0|2,0,0]=4 364 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [2,0,0,0,0,0|1,0,1]=4 365 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [2,0,0,0,0,0|1,0,1]=4 366 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [2,0,0,0,0,0|1,0,0]=3 367 B7R1.3 C[N+]1=CC=NC=C1 CNP0506920.0 [2,0,0,0,0,0|2,0,0]=4 368 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [2,0,0,0,0,0|1,0,0]=3 369 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [2,0,0,0,0,0|1,0,0]=3 370 B7R1.3 IC1=CC=NC=C1 CNP0582917.0 [2,0,0,0,0,0|2,0,0]=4 371 B7R1.3 N=C1C=CNC=C1 CNP0283346.0 [2,0,0,0,0,0|2,0,0]=4 372 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [2,0,0,0,0,0|1,0,0]=3 373 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [2,0,0,0,0,0|2,0,0]=4 374 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [2,0,0,0,0,0|2,0,0]=4 375 B7R1.3 NC1=CC=NC=C1 CNP0484010.0 [2,0,0,0,0,0|2,0,0]=4 376 B7R1.3 NC1=CC=[NH+]C=C1 CNP0584651.0 [2,0,0,0,0,0|2,0,0]=4 377 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [2,0,0,0,0,0|0,0,2]=4 378 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [2,0,0,0,0,0|1,0,1]=4 379 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [2,0,0,0,0,0|1,0,1]=4 380 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [2,0,0,0,0,0|1,0,1]=4 381 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [2,0,0,0,0,0|1,0,1]=4 382 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [2,0,0,0,0,0|0,0,0]=2 383 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [2,0,0,0,0,0|1,0,0]=3 384 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [2,0,0,0,0,0|1,0,0]=3 385 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [2,0,0,0,0,0|1,0,0]=3 386 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [2,0,0,0,0,0|0,1,0]=3 387 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [2,0,0,0,0,0|1,1,0]=4 388 B9R0.1 C=CC(=CC=CC(=C)C)C CNP0243185.0 [0,1,1,0,0,0|1,0,1]=4 389 B9R0.1 C=CC(=CC=CC(C)C)C CNP0086413.0 [0,1,1,0,0,0|1,0,0]=3 390 B9R0.2 C=C/C=C\CCC[C@@H](C)O CNP0169759.1 [0,1,1,0,0,0|0,0,2]=4 391 B9R0.2 C=C/C=C\CCC[C@H](C)O CNP0169759.2 [0,1,1,0,0,0|0,0,2]=4 392 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [0,1,1,0,0,0|1,0,1]=4 393 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [1,1,0,0,0,0|0,0,2]=4 394 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [1,1,0,0,0,0|0,0,2]=4 395 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [1,1,0,0,0,0|1,0,1]=4 396 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [1,1,0,0,0,0|0,0,2]=4 397 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [1,1,0,0,0,0|0,0,0]=2 398 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [1,1,0,0,0,0|1,0,1]=4 399 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [1,1,0,0,0,0|1,0,1]=4 400 B9R1.1 CC1=CN=C(C=N1)CO CNP0207768.0 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [1,1,0,0,0,0|0,0,0]=2 402 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [1,1,0,0,0,0|0,0,0]=2 403 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [1,1,0,0,0,0|0,0,0]=2 404 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [1,1,0,0,0,0|0,0,0]=2 405 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [1,1,0,0,0,0|1,0,0]=3 406 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [1,1,0,0,0,0|1,0,0]=3 407 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.1 CCN1C=CC(=N)C=C1 CNP0467750.0 [1,1,0,0,0,0|1,0,0]=3 409 B9R1.1 CCN1C=CC(=[N])C=C1 CNP0554973.0 [1,1,0,0,0,0|1,0,0]=3 410 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [1,1,0,0,0,0|1,0,0]=3 411 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [1,1,0,0,0,0|1,0,0]=3 412 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [1,1,0,0,0,0|1,0,0]=3 413 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [1,1,0,0,0,0|1,0,0]=3 414 B9R1.1 N#CC1=CC=C(C=C1)N CNP0174653.0 [1,1,0,0,0,0|1,0,1]=4 415 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [1,1,0,0,0,0|1,0,1]=4 416 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.1 N#[N+]C1=CC=C(C=C1)[O-] CNP0612185.0 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [1,1,0,0,0,0|0,0,2]=4 419 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [1,1,0,0,0,0|1,0,0]=3 420 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [1,1,0,0,0,0|0,0,2]=4 421 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [1,1,0,0,0,0|1,0,1]=4 422 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [1,1,0,0,0,0|0,0,0]=2 423 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [1,1,0,0,0,0|0,0,0]=2 424 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [1,1,0,0,0,0|1,0,0]=3 425 B9R1.1 [N-]=[N+]=C1C=CC(=O)C=C1 CNP0540787.0 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [1,1,0,0,0,0|1,0,1]=4 427 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [1,1,0,0,0,0|0,0,2]=4 428 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [1,1,0,0,0,0|1,0,0]=3 429 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [1,1,0,0,0,0|1,0,0]=3 430 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [1,1,0,0,0,0|0,0,0]=2 431 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [1,1,0,0,0,0|0,0,0]=2 432 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [1,1,0,0,0,0|1,0,0]=3 433 B9R1.2 CCC1=CC=C[N+](=C1)[O-] CNP0497622.0 [1,1,0,0,0,0|1,0,0]=3 434 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [1,1,0,0,0,0|1,0,0]=3 435 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [1,1,0,0,0,0|1,0,0]=3 436 B9R1.2 CCC1=CN=CC(=N1)C CNP0156975.0 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.2 COC1=CC(=O)OC=C1 CNP0507219.0 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [1,1,0,0,0,0|1,0,0]=3 439 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [1,1,0,0,0,0|1,0,0]=3 440 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [1,1,0,0,0,0|1,0,0]=3 441 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [1,1,0,0,0,0|1,0,0]=3 442 B9R1.2 N#CC1=CC=CC(=C1)Br CNP0017704.0 [1,1,0,0,0,0|1,0,1]=4 443 B9R1.2 N#CC1=CC=CC(=C1)O CNP0104146.0 [1,1,0,0,0,0|1,0,1]=4 444 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [1,1,0,0,0,0|1,0,0]=3 445 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [1,1,0,0,0,0|0,0,2]=4 446 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [1,1,0,0,0,0|0,0,2]=4 447 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [1,1,0,0,0,0|0,0,0]=2 448 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [1,1,0,0,0,0|0,0,0]=2 449 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,1,0,0,0,0|0,0,1]=3 450 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [1,1,0,0,0,0|0,0,2]=4 451 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [1,1,0,0,0,0|0,0,2]=4 452 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,1,0,0,0,0|0,0,1]=3 453 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,1,0,0,0,0|1,0,1]=4 454 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,1,0,0,0,0|0,0,0]=2 455 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [1,1,0,0,0,0|1,0,0]=3 456 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [1,1,0,0,0,0|1,0,0]=3 457 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [1,1,0,0,0,0|1,0,0]=3 458 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,1,0,0,0,0|0,0,0]=2 460 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,1,0,0,0,0|0,0,0]=2 461 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [1,1,0,0,0,0|1,0,0]=3 462 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,1,0,0,0,0|0,0,0]=2 463 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,1,0,0,0,0|0,0,0]=2 464 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,1,0,0,0,0|0,0,0]=2 465 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,1,0,0,0,0|1,0,0]=3 466 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [1,1,0,0,0,0|0,0,1]=3 468 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [1,1,0,0,0,0|1,0,1]=4 469 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [1,1,0,0,0,0|0,0,1]=3 470 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [1,1,0,0,0,0|0,0,0]=2 471 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [1,1,0,0,0,0|1,0,0]=3 472 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,1,0,0,0,0|0,0,1]=3 473 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,1,0,0,0,0|0,0,2]=4 474 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,1,0,0,0,0|0,0,2]=4 475 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,1,0,0,0,0|0,0,2]=4 476 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [1,1,0,0,0,0|0,0,0]=2 477 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [1,1,0,0,0,0|0,0,1]=3 478 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [1,1,0,0,0,0|0,0,0]=2 479 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [1,1,0,0,0,0|0,1,1]=4 480 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [1,1,0,0,0,0|0,0,0]=2 481 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [1,1,0,0,0,0|0,0,2]=4 483 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [1,1,0,0,0,0|0,0,2]=4 484 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [1,1,0,0,0,0|1,0,1]=4 485 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [1,1,0,0,0,0|0,0,2]=4 486 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [1,1,0,0,0,0|1,0,0]=3 487 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [1,1,0,0,0,0|0,0,0]=2 488 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [1,1,0,0,0,0|1,0,1]=4 489 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [1,1,0,0,0,0|1,0,0]=3 490 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [1,1,0,0,0,0|0,0,0]=2 491 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,1,0,0,0,0|0,0,0]=2 492 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [1,1,0,0,0,0|0,0,0]=2 493 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [1,1,0,0,0,0|0,0,0]=2 494 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [1,1,0,0,0,0|0,0,0]=2 495 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [1,1,0,0,0,0|1,0,0]=3 496 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [1,1,0,0,0,0|1,0,0]=3 497 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [1,1,0,0,0,0|2,0,0]=4 498 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [1,1,0,0,0,0|1,0,0]=3 499 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [1,1,0,0,0,0|1,0,0]=3 500 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [1,1,0,0,0,0|1,0,0]=3 501 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [1,1,0,0,0,0|1,0,0]=3 502 B9R1.15 COC1=CCC=CC1=O CNP0023044.0 [1,1,0,0,0,0|1,0,1]=4 503 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [1,1,0,0,0,0|2,0,0]=4 504 B9R1.15 COC1=CNC=CC1=O CNP0190346.0 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.15 COC1=COC=CC1=O CNP0259077.0 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [1,1,0,0,0,0|2,0,0]=4 507 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [1,1,0,0,0,0|1,0,0]=3 508 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [1,1,0,0,0,0|0,0,2]=4 509 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [1,1,0,0,0,0|0,0,0]=2 510 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [1,1,0,0,0,0|1,0,0]=3 511 B9R1.15 NNC1=CC=CC=C1Cl CNP0024117.0 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [1,1,0,0,0,0|0,0,2]=4 513 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [1,1,0,0,0,0|0,0,2]=4 514 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [1,1,0,0,0,0|0,0,0]=2 516 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [1,1,0,0,0,0|0,1,0]=3 517 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [1,1,0,0,0,0|1,0,1]=4 518 B9R1.11 CC(=NO)C1=CC=CN1 CNP0158738.0 [0,1,0,0,1,0|1,0,1]=4 519 B9R1.11 CC(=NO)C1=CC=CS1 CNP0182466.0 [0,1,0,0,1,0|1,0,1]=4 520 B9R1.11 OC[C@@H](O)C1=CC=CO1 CNP0178385.1 [0,1,0,0,1,0|1,0,0]=3 521 B9R1.19 CC(C)(C)C1=CC=CS1 CNP0063130.0 [0,1,0,0,1,0|2,0,0]=4 522 B9R1.19 CC(C)(C)C1C=CC=C1 CNP0354096.0 [0,1,0,0,1,0|1,0,1]=4 523 B9R1.19 CC(C)(C)N1C=CC=C1 CNP0216114.0 [0,1,0,0,1,0|2,0,0]=4 524 B9R1.35 CC1=CC=C(O1)C(C)C CNP0259912.0 [0,1,0,0,1,0|2,0,0]=4 525 B9R1.35 C[C@@H](O)C1=CC(=O)CC1 CNP0072529.1 [0,1,0,0,1,0|0,0,2]=4 526 B9R1.35 C[C@@H](O)[C@H]1C=CC(=O)O1 CNP0131918.2 [0,1,0,0,1,0|1,0,1]=4 527 B9R1.35 C[C@H](O)[C@H]1C=CC(=O)O1 CNP0131918.1 [0,1,0,0,1,0|1,0,1]=4 528 B9R1.41 C=C1C=CC=C1C(=O)O CNP0542431.0 [0,1,0,0,1,0|1,0,1]=4 529 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [0,1,0,0,0,1|1,0,1]=4 530 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [0,1,0,0,0,1|0,0,2]=4 531 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [0,1,0,0,0,1|0,0,2]=4 532 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [0,1,0,0,0,1|0,0,2]=4 533 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [0,1,0,0,0,1|0,0,2]=4 534 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [0,1,0,0,0,1|0,0,2]=4 535 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [0,1,0,0,0,1|0,0,2]=4 536 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [0,1,0,0,0,1|0,0,2]=4 537 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [0,1,0,0,0,1|0,0,2]=4 538 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [0,1,0,0,0,1|1,0,0]=3 539 B11R1.20 CC(N)CC1=CC=C(C=C1)I CNP0499686.0 [0,1,0,0,0,1|1,0,0]=3 540 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [0,1,0,0,0,1|1,0,0]=3 541 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [0,1,0,0,0,1|1,0,0]=3 542 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [0,1,0,0,0,1|1,0,0]=3 543 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [0,1,0,0,0,1|1,0,1]=4 544 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [0,1,0,0,0,1|1,0,1]=4 545 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [0,1,0,0,0,1|1,0,1]=4 546 B11R1.20 O=C(O)NC1=CC=C(C=C1)Cl CNP0172129.0 [0,1,0,0,0,1|1,0,1]=4 547 B11R1.36 C=C(C)[C@@H](O)C1=CC=CC=C1 CNP0098533.1 [0,1,0,0,0,1|1,0,1]=4 548 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [0,1,0,0,0,1|0,0,2]=4 549 B11R1.36 CC(C)C(=O)C1=CC=CC=C1 CNP0127365.0 [0,1,0,0,0,1|1,0,0]=3 550 B11R1.36 CC(C)C(=O)C1=CC=CC=N1 CNP0492975.0 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.36 CC(C)[C@@H](C)C1=CC=CC=C1 CNP0042832.2 [0,1,0,0,0,1|1,0,0]=3 552 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 CNP0042832.1 [0,1,0,0,0,1|1,0,0]=3 553 B11R1.36 CN(C)C(=S)C1=CC=CC=C1 CNP0071076.0 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 CNP0224074.1 [0,1,0,0,0,1|1,0,1]=4 555 B11R1.36 C[C@@H](N)C(=O)C1=CC=CC=C1 CNP0277529.2 [0,1,0,0,0,1|1,0,0]=3 556 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.2 [0,1,0,0,0,1|1,0,0]=3 557 B11R1.36 C[C@@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.4 [0,1,0,0,0,1|1,0,0]=3 558 B11R1.36 C[C@@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.3 [0,1,0,0,0,1|0,0,0]=2 559 B11R1.36 C[C@@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.2 [0,1,0,0,0,1|0,0,0]=2 560 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 CNP0224074.2 [0,1,0,0,0,1|1,0,1]=4 561 B11R1.36 C[C@H](N)C(=O)C1=CC=CC=C1 CNP0277529.1 [0,1,0,0,0,1|1,0,0]=3 562 B11R1.36 C[C@H](N)C(O)[14C]1=[14CH][14CH]=[14CH][14CH]=[14CH]1 CNP0148528.5 [0,1,0,0,0,1|1,0,0]=3 563 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.1 [0,1,0,0,0,1|1,0,0]=3 564 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.3 [0,1,0,0,0,1|1,0,0]=3 565 B11R1.36 C[C@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.1 [0,1,0,0,0,1|0,0,0]=2 566 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.4 [0,1,0,0,0,1|0,0,0]=2 567 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 CNP0137107.2 [0,1,0,0,0,1|1,0,1]=4 568 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CNP0137107.1 [0,1,0,0,0,1|1,0,1]=4 569 B11R1.36 O=C(C1=CC=CC=C1)C(O)O CNP0177704.0 [0,1,0,0,0,1|1,0,0]=3 570 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 CNP0256089.0 [0,1,0,0,0,1|1,0,1]=4 571 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CNP0248394.1 [0,1,0,0,0,1|1,0,1]=4 572 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 CNP0248394.2 [0,1,0,0,0,1|1,0,1]=4 573 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [0,1,0,0,0,1|0,0,2]=4 574 B11R1.40 CC(CC1=CC=CC=C1)NN CNP0490406.0 [0,1,0,0,0,1|1,0,0]=3 575 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,1,0,0,0,1|0,0,2]=4 576 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,1,0,0,0,1|0,0,2]=4 577 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,1,0,0,0,1|0,0,2]=4 578 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [0,1,0,0,0,1|1,0,0]=3 579 B11R1.40 CN(C=O)NC1=CC=CC=C1 CNP0115944.0 [0,1,0,0,0,1|1,0,1]=4 580 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,1,0,0,0,1|0,0,2]=4 581 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [0,1,0,0,0,1|1,0,0]=3 582 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [0,1,0,0,0,1|1,0,0]=3 583 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,1,0,0,0,1|0,0,2]=4 584 B11R1.40 COC(=S)NC1=CC=CC=C1 CNP0050030.0 [0,1,0,0,0,1|0,1,1]=4 585 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [0,1,0,0,0,1|0,0,1]=3 586 B11R1.40 N#C[C@H](O)CC1=CC=CC=C1 CNP0304006.1 [0,1,0,0,0,1|0,0,1]=3 587 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [0,1,0,0,0,1|1,0,1]=4 588 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [0,1,0,0,0,1|1,0,1]=4 589 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [0,1,0,0,0,1|1,0,1]=4 590 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [0,1,0,0,0,1|1,0,1]=4 591 B11R1.40 NOC(=O)NC1=CC=CC=C1 CNP0579392.0 [0,1,0,0,0,1|1,0,1]=4 592 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 CNP0254447.2 [0,1,0,0,0,1|1,0,0]=3 593 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CNP0254447.1 [0,1,0,0,0,1|1,0,0]=3 594 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,1,0,0,0,1|1,0,1]=4 595 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [0,1,0,0,0,1|0,0,2]=4 596 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 CNP0380924.2 [0,1,0,0,0,1|0,0,0]=2 597 B11R1.40 OC[C@H](O)CC1=CC=CC=C1 CNP0380924.1 [0,1,0,0,0,1|0,0,0]=2 598 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [0,1,0,0,0,1|1,0,1]=4 599 B11R1.86 CC(=O)NC1=CC=CC=C1Br CNP0084593.0 [0,1,0,0,0,1|0,0,2]=4 600 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [0,1,0,0,0,1|0,0,2]=4 601 B11R1.86 CC(=O)NC1=CC=CC=C1Cl CNP0106127.0 [0,1,0,0,0,1|0,0,2]=4 602 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [0,1,0,0,0,1|0,0,2]=4 603 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [0,1,0,0,0,1|0,0,2]=4 604 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [0,1,0,0,0,1|0,0,2]=4 605 B11R1.86 CC(C)CC1=CC=CC=C1O CNP0325135.0 [0,1,0,0,0,1|1,0,0]=3 606 B11R1.86 CC(C)OC1=CC=CC=C1O CNP0590959.0 [0,1,0,0,0,1|1,0,0]=3 607 B11R1.86 NC1=CC=CC=C1CC(=O)O CNP0248219.0 [0,1,0,0,0,1|1,0,1]=4 608 B11R1.86 O=C(O)CC1=CC=CC=C1O CNP0298923.0 [0,1,0,0,0,1|1,0,1]=4 609 B11R1.157 CC(=O)NC1=CC=CC(=C1)C CNP0569514.0 [0,1,0,0,0,1|0,0,2]=4 610 B11R1.157 CC(=O)NC1=CC=CC(=C1)Cl CNP0192017.0 [0,1,0,0,0,1|0,0,2]=4 611 B11R1.157 CC(=O)NC1=CC=CC(=C1)N CNP0368887.0 [0,1,0,0,0,1|0,0,2]=4 612 B11R1.157 CC(=O)NC1=CC=CC(=C1)O CNP0605398.0 [0,1,0,0,0,1|0,0,2]=4 613 B11R1.157 CC(=O)OC1=CC=CC(=C1)C CNP0423566.0 [0,1,0,0,0,1|0,0,2]=4 614 B11R1.157 CC(=O)OC1=CC=CC(=C1)O CNP0341697.0 [0,1,0,0,0,1|0,0,2]=4 615 B11R1.157 CC(O)CC1=CN=CC(=C1)O CNP0432265.0 [0,1,0,0,0,1|1,0,0]=3 616 B11R1.157 CC1=CC=CC(=C1)CC(=O)O CNP0296551.0 [0,1,0,0,0,1|1,0,1]=4 617 B11R1.157 O=C(O)CC1=CC=CC(=C1)O CNP0342864.0 [0,1,0,0,0,1|1,0,1]=4 618 B11R1.509 CC(C)(N)CC1=CC=CC=C1 CNP0239645.0 [0,1,0,0,0,1|1,0,0]=3 619 B11R1.509 CC(C)(O)CC1=CC=CC=C1 CNP0255843.0 [0,1,0,0,0,1|0,0,0]=2 620 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 CNP0309905.0 [0,1,0,0,0,1|1,0,1]=4 621 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CNP0563874.0 [0,1,0,0,0,1|2,0,0]=4 622 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CNP0596726.0 [0,1,0,0,0,1|2,0,0]=4 623 B11R1.509 C[Si](C)(C)NC1=CC=CC=C1 CNP0589865.0 [0,1,0,0,0,1|1,1,0]=4 624 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 CNP0083459.0 [0,1,0,0,0,1|2,0,0]=4 625 B11R1.509 O=S(=O)(O)CC1=CC=CC=C1 CNP0529775.0 [0,1,0,0,0,1|2,0,0]=4 626 B11R1.509 O=S(=O)(O)OC1=CC=CC=C1 CNP0567034.0 [0,1,0,0,0,1|2,0,0]=4 627 B11R1.565 CC(C)C1=CC=CC(=O)C=C1 CNP0424734.0 [0,1,0,0,0,1|1,0,0]=3 628 B11R1.852 COC(=O)C1=CC=CC=CO1 CNP0163197.0 [0,1,0,0,0,1|0,0,2]=4 629 B11R1.3 BrCC1=CC=C(C=C1)C(Br)Br CNP0339732.0 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.3 C=C(C)C1=CC=C(C=C1)C=O CNP0243600.0 [0,2,0,0,0,0|1,0,1]=4 631 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O CNP0513206.0 [0,2,0,0,0,0|1,0,1]=4 632 B11R1.3 CC(C)C1=CC=C(C=C1)C=O CNP0195353.0 [0,2,0,0,0,0|1,0,0]=3 633 B11R1.3 CC(C)C1=CC=C(C=C1)CO CNP0157328.0 [0,2,0,0,0,0|1,0,0]=3 634 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [0,2,0,0,0,0|0,0,2]=4 635 B11R1.3 CCC1=CC=C(C=C1)C(=O)O CNP0225284.0 [0,2,0,0,0,0|1,0,1]=4 636 B11R1.3 CCC1=CC=C(C=C1)C(C)O CNP0483491.0 [0,2,0,0,0,0|0,0,0]=2 637 B11R1.3 CN(C)C1=CC=C(C=C1)C=O CNP0077269.0 [0,2,0,0,0,0|2,0,0]=4 638 B11R1.3 CNC1=CC=C(C=C1)C(=O)O CNP0384043.0 [0,2,0,0,0,0|1,0,1]=4 639 B11R1.3 CNC1=CC=C(C=C1)N(C)C CNP0587499.0 [0,2,0,0,0,0|2,0,0]=4 640 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [0,2,0,0,0,0|0,0,2]=4 641 B11R1.3 COC1=CC=C(C=C1)C(=O)O CNP0249583.0 [0,2,0,0,0,0|1,0,1]=4 642 B11R1.3 COC1=CC=C(C=C1)C(C)C CNP0579655.0 [0,2,0,0,0,0|1,0,0]=3 643 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O CNP0137067.1 [0,2,0,0,0,0|0,0,0]=2 644 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O CNP0137067.2 [0,2,0,0,0,0|0,0,0]=2 645 B11R1.3 C[C@H](O)C1=CC=C(C=C1)CN CNP0285277.1 [0,2,0,0,0,0|0,0,0]=2 646 B11R1.3 NNC1=CC=C(C=C1)C(=O)O CNP0496695.0 [0,2,0,0,0,0|1,0,1]=4 647 B11R1.3 O=C(O)C1=CC=C(C=C1)CO CNP0163373.0 [0,2,0,0,0,0|1,0,1]=4 648 B11R1.3 O=C(O)C1=CC=C(C=C1)[Hg]O CNP0547098.0 [0,2,0,0,0,0|1,0,1]=4 649 B11R1.3 O=CC1=CC=C(C=C1)C(=O)O CNP0158402.0 [0,2,0,0,0,0|1,0,1]=4 650 B11R1.3 O=NC1=CC=C(C=C1)C(=O)O CNP0442117.0 [0,2,0,0,0,0|1,0,1]=4 651 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Br CNP0508949.0 [0,2,0,0,0,0|1,0,0]=3 652 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O CNP0300826.0 [0,2,0,0,0,0|0,0,0]=2 653 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O CNP0341593.0 [0,2,0,0,0,0|2,0,0]=4 654 B11R1.19 CC1=CC[C@@H](C=C1)C(C)(C)O CNP0359689.2 [0,2,0,0,0,0|0,0,2]=4 655 B11R1.19 CC1=CC[C@H](C=C1)C(C)(C)O CNP0359689.1 [0,2,0,0,0,0|0,0,2]=4 656 B11R1.19 NC1=CC=C(C=C1)S(=O)(=O)O CNP0300837.0 [0,2,0,0,0,0|2,0,0]=4 657 B11R1.19 NC1=CC=C(C=C1)[As](=O)(O)O CNP0474348.0 [0,2,0,0,0,0|2,0,0]=4 658 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)O CNP0475877.0 [0,2,0,0,0,0|2,0,0]=4 659 B11R1.19 O=S(=O)(O)C1=CC=C(C=C1)O CNP0102094.0 [0,2,0,0,0,0|2,0,0]=4 660 B11R1.19 O=S(=O)(O)C1=CC=C(C=C1)[Hg] CNP0505241.0 [0,2,0,0,0,0|2,0,0]=4 661 B11R1.21 C=C(C)C1=CC=C(C(=C1)O)C CNP0410462.0 [0,2,0,0,0,0|1,0,1]=4 662 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)C CNP0091143.0 [0,2,0,0,0,0|0,0,2]=4 663 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)O CNP0484144.0 [0,2,0,0,0,0|0,0,2]=4 664 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)C CNP0155281.0 [0,2,0,0,0,0|0,0,2]=4 665 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)O CNP0310121.0 [0,2,0,0,0,0|0,0,2]=4 666 B11R1.21 CC1=CC(=CC=C1O)C(=O)O CNP0305353.0 [0,2,0,0,0,0|1,0,1]=4 667 B11R1.21 CC1=CC(=CC=C1O)C(C)C CNP0364356.0 [0,2,0,0,0,0|1,0,0]=3 668 B11R1.21 CC1=CC=C(C=C1C)C(=O)O CNP0109169.0 [0,2,0,0,0,0|1,0,1]=4 669 B11R1.21 CC1=CC=C(C=C1C)C(C)C CNP0226831.0 [0,2,0,0,0,0|1,0,0]=3 670 B11R1.21 CC1=CC=C(C=C1C)C(C)O CNP0612219.0 [0,2,0,0,0,0|0,0,0]=2 671 B11R1.21 CC1=CC=C(C=C1O)C(=O)O CNP0262674.0 [0,2,0,0,0,0|1,0,1]=4 672 B11R1.21 CC1=CC=C(C=C1O)C(C)C CNP0210919.0 [0,2,0,0,0,0|1,0,0]=3 673 B11R1.21 CC1=CC=C(N=C1C)C(C)C CNP0304301.0 [0,2,0,0,0,0|2,0,0]=4 674 B11R1.21 NC1=CC(=CC=C1O)C(=O)O CNP0343618.0 [0,2,0,0,0,0|1,0,1]=4 675 B11R1.21 NC1=CC=C(C=C1N)C(=O)O CNP0515616.0 [0,2,0,0,0,0|1,0,1]=4 676 B11R1.21 NC1=CC=C(C=C1O)C(=O)O CNP0018090.0 [0,2,0,0,0,0|1,0,1]=4 677 B11R1.21 O=C(O)C1=CC=C(C(=C1)Br)O CNP0414254.0 [0,2,0,0,0,0|1,0,1]=4 678 B11R1.21 O=C(O)C1=CC=C(C(=C1)Cl)O CNP0131355.0 [0,2,0,0,0,0|1,0,1]=4 679 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)O CNP0348948.0 [0,2,0,0,0,0|1,0,1]=4 680 B11R1.22 C=C[C@@H](O)C1=CC=C(C=C1)O CNP0280373.2 [0,2,0,0,0,0|0,0,1]=3 681 B11R1.22 C=C[C@H](O)C1=CC=C(C=C1)O CNP0280373.1 [0,2,0,0,0,0|0,0,1]=3 682 B11R1.22 CC1=CC=C(C=C1)C(=NO)N CNP0330819.0 [0,2,0,0,0,0|1,0,1]=4 683 B11R1.22 CC1=CC=C(C=C1)C(=O)NO CNP0029154.0 [0,2,0,0,0,0|1,0,1]=4 684 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [0,2,0,0,0,0|0,0,1]=3 685 B11R1.22 CC1=CC=C(C=C1)[C@H](C)CO CNP0229536.1 [0,2,0,0,0,0|0,0,0]=2 686 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [0,2,0,0,0,0|0,0,2]=4 687 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [0,2,0,0,0,0|0,0,2]=4 688 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [0,2,0,0,0,0|1,0,0]=3 689 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [0,2,0,0,0,0|0,0,0]=2 690 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [0,2,0,0,0,0|1,0,0]=3 691 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [0,2,0,0,0,0|0,0,2]=4 692 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [0,2,0,0,0,0|0,0,2]=4 693 B11R1.22 COC(=O)C1=CC=C(C=C1)N CNP0162858.0 [0,2,0,0,0,0|0,0,2]=4 694 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [0,2,0,0,0,0|0,0,2]=4 695 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [0,2,0,0,0,0|0,0,0]=2 696 B11R1.22 N#C[C@@H](O)C1=CC=C(C=C1)O CNP0245965.1 [0,2,0,0,0,0|0,0,1]=3 697 B11R1.22 N#C[C@H](O)C1=CC=C(C=C1)O CNP0245965.2 [0,2,0,0,0,0|0,0,1]=3 698 B11R1.22 NC[C@@H](O)C1=CC=C(C=C1)O CNP0139359.1 [0,2,0,0,0,0|0,0,0]=2 699 B11R1.22 NC[C@H](O)C1=CC=C(C=C1)O CNP0139359.2 [0,2,0,0,0,0|0,0,0]=2 700 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br CNP0077206.0 [0,2,0,0,0,0|0,0,2]=4 701 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [0,2,0,0,0,0|0,0,2]=4 702 B11R1.22 O=C(NO)C1=CC=C(C=C1)Br CNP0218698.0 [0,2,0,0,0,0|1,0,1]=4 703 B11R1.22 OC[C@@H](O)C1=CC=C(C=C1)O CNP0398619.1 [0,2,0,0,0,0|0,0,0]=2 704 B11R1.22 OC[C@H](O)C1=CC=C(C=C1)O CNP0398619.2 [0,2,0,0,0,0|0,0,0]=2 705 B11R1.22 ON=C(Cl)C1=CC=C(C=C1)Cl CNP0052470.0 [0,2,0,0,0,0|1,0,1]=4 706 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [0,2,0,0,0,0|0,0,2]=4 707 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [0,2,0,0,0,0|0,0,2]=4 708 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [0,2,0,0,0,0|0,0,2]=4 709 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CNP0529513.0 [0,2,0,0,0,0|0,0,2]=4 710 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [0,2,0,0,0,0|0,0,2]=4 711 B11R1.166 CC1=CC(=CC=C1C(=O)O)O CNP0075319.0 [0,2,0,0,0,0|1,0,1]=4 712 B11R1.166 CC1=CC(=CC=C1C(C)C)O CNP0343687.0 [0,2,0,0,0,0|1,0,0]=3 713 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)O CNP0439432.0 [0,2,0,0,0,0|1,0,1]=4 714 B11R1.166 CC1=CC=C(C(=C1)C)C(C)C CNP0278893.0 [0,2,0,0,0,0|1,0,0]=3 715 B11R1.166 CC1=CC=C(C(=C1)O)C(C)C CNP0135128.0 [0,2,0,0,0,0|1,0,0]=3 716 B11R1.166 NC1=CC=C(C(=C1)N)C(=O)O CNP0400011.0 [0,2,0,0,0,0|1,0,1]=4 717 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)O CNP0313106.0 [0,2,0,0,0,0|1,0,1]=4 718 B11R1.166 O=C(O)C1=CC=C(C=C1Cl)Cl CNP0175601.0 [0,2,0,0,0,0|1,0,1]=4 719 B11R1.166 O=C(O)C1=CC=C(C=C1O)O CNP0285956.0 [0,2,0,0,0,0|1,0,1]=4 720 B11R1.7 C=CC(C)(O)C1=CC=CC=C1 CNP0570138.0 [0,2,0,0,0,0|0,0,0]=2 721 B11R1.7 CC(C)(CO)C1=CC=CC=C1 CNP0520946.0 [0,2,0,0,0,0|0,0,0]=2 722 B11R1.7 CC(C)(OO)C1=CC=CC=C1 CNP0082560.0 [0,2,0,0,0,0|0,0,0]=2 723 B11R1.7 CC(O)(CO)C1=CC=CC=C1 CNP0122921.0 [0,2,0,0,0,0|0,0,0]=2 724 B11R1.7 C[C@@](N)(CN)C1=CC=CC=C1 CNP0275184.1 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.7 C[C@](N)(C#N)C1=CC=CC=C1 CNP0276998.1 [0,2,0,0,0,0|1,0,0]=3 726 B11R1.12 CC=C(C=O)C1=CC=CC=C1 CNP0164159.0 [0,2,0,0,0,0|0,0,2]=4 727 B11R1.12 CCC(CC)C1=CC=CC=C1 CNP0422788.0 [0,2,0,0,0,0|1,0,0]=3 728 B11R1.12 CCN(CC)C1=CC=CC=C1 CNP0287297.0 [0,2,0,0,0,0|2,0,0]=4 729 B11R1.12 CC[NH+](CC)C1=CC=CC=C1 CNP0485521.0 [0,2,0,0,0,0|2,0,0]=4 730 B11R1.12 COC(=NO)C1=CC=CC=C1 CNP0557037.0 [0,2,0,0,0,0|0,0,1]=3 731 B11R1.12 COC(OC)C1=CC=CC=C1 CNP0042286.0 [0,2,0,0,0,0|0,0,0]=2 732 B11R1.12 COP(OC)C1=CC=CC=C1 CNP0049160.0 [0,2,0,0,0,0|1,0,0]=3 733 B11R1.12 CO[C@H](C#N)C1=CC=CC=C1 CNP0186304.1 [0,2,0,0,0,0|0,0,1]=3 734 B11R1.12 CO[PH](OC)C1=CC=CC=C1 CNP0522233.0 [0,2,0,0,0,0|1,0,0]=3 735 B11R1.16 C=CC[C@@H](O)C1=CC=CC=C1 CNP0109551.2 [0,2,0,0,0,0|0,0,0]=2 736 B11R1.16 C=CC[C@H](O)C1=CC=CC=C1 CNP0109551.1 [0,2,0,0,0,0|0,0,0]=2 737 B11R1.16 C=COC(=O)C1=CC=CC=C1 CNP0083042.0 [0,2,0,0,0,0|1,0,1]=4 738 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [0,2,0,0,0,0|0,0,1]=3 739 B11R1.16 CC(OC=O)C1=CC=CC=C1 CNP0002788.0 [0,2,0,0,0,0|0,0,0]=2 740 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [0,2,0,0,0,0|0,0,2]=4 741 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [0,2,0,0,0,0|0,1,1]=4 742 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [0,2,0,0,0,0|0,0,2]=4 743 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [0,2,0,0,0,0|0,0,0]=2 744 B11R1.16 CCO[C@H](C)C1=CN=CC=N1 CNP0113976.1 [0,2,0,0,0,0|2,0,0]=4 745 B11R1.16 CN(NC=O)C1=CC=CC=C1 CNP0145841.0 [0,2,0,0,0,0|1,0,1]=4 746 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [0,2,0,0,0,0|0,0,2]=4 747 B11R1.16 CNC[C@@H](O)C1=CC=CC=C1 CNP0154385.1 [0,2,0,0,0,0|0,0,0]=2 748 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 CNP0154385.2 [0,2,0,0,0,0|0,0,0]=2 749 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [0,2,0,0,0,0|0,0,2]=4 750 B11R1.16 C[C@@H](N=C=S)C1=CC=CC=C1 CNP0391564.2 [0,2,0,0,0,0|0,1,0]=3 751 B11R1.16 C[C@H](N=C=S)C1=CC=CC=C1 CNP0391564.1 [0,2,0,0,0,0|0,1,0]=3 752 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CNP0039912.0 [0,2,0,0,0,0|0,0,2]=4 753 B11R1.16 O=CC=C(O)C1=CC=CC=C1 CNP0460454.0 [0,2,0,0,0,0|0,0,2]=4 754 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 CNP0046660.2 [0,2,0,0,0,0|0,0,0]=2 755 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 CNP0046660.1 [0,2,0,0,0,0|0,0,0]=2 756 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 CNP0602353.1 [0,2,0,0,0,0|0,0,0]=2 757 B11R1.23 CC(=NO)C1=CC(=CC=N1)C CNP0162908.0 [0,2,0,0,0,0|1,0,1]=4 758 B11R1.23 CC(=NO)C1=CC=CC(=N1)C CNP0153650.0 [0,2,0,0,0,0|1,0,1]=4 759 B11R1.23 CNC(=O)C1=CC=CC(=C1)N CNP0065493.0 [0,2,0,0,0,0|0,0,2]=4 760 B11R1.23 COC(=O)C1=CC=CC(=C1)Br CNP0260377.0 [0,2,0,0,0,0|0,0,2]=4 761 B11R1.23 COC(=O)C1=CC=CC(=C1)C CNP0189828.0 [0,2,0,0,0,0|0,0,2]=4 762 B11R1.23 COC(=O)C1=CC=CC(=C1)N CNP0145729.0 [0,2,0,0,0,0|0,0,2]=4 763 B11R1.23 COC(=O)C1=CC=CC(=C1)O CNP0301417.0 [0,2,0,0,0,0|0,0,2]=4 764 B11R1.23 N#C[C@@H](O)C1=CC=CC(=C1)O CNP0135364.1 [0,2,0,0,0,0|0,0,1]=3 765 B11R1.222 CC(=NO)C1=CC=CC=C1N CNP0306135.0 [0,2,0,0,0,0|0,0,1]=3 766 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [0,2,0,0,0,0|0,0,2]=4 767 B11R1.222 CCC(C)C1=CC=CC=C1O CNP0038393.0 [0,2,0,0,0,0|1,0,0]=3 768 B11R1.222 COC(=O)C1=CC=CC=C1I CNP0211185.0 [0,2,0,0,0,0|0,0,2]=4 769 B11R1.222 COC(=O)C1=CC=CC=C1N CNP0163520.0 [0,2,0,0,0,0|0,0,2]=4 770 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [0,2,0,0,0,0|0,0,2]=4 771 B11R1.222 O=C(NO)C1=CC=CC=C1O CNP0106659.0 [0,2,0,0,0,0|1,0,1]=4 772 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [0,2,0,0,0,0|0,0,2]=4 773 B11R1.87 CC(C)(C)C1=CC=CC=C1O CNP0079851.0 [0,2,0,0,0,0|1,0,0]=3 774 B11R1.87 CC(C)(C)C1=NC=CC=C1O CNP0517568.0 [0,2,0,0,0,0|2,0,0]=4 775 B11R1.87 C[P@@](=O)(O)C1=CC=CC=C1O CNP0454510.1 [0,2,0,0,0,0|1,0,0]=3 776 B11R1.87 O=P(O)(O)C1=CC=CC=C1O CNP0471602.0 [0,2,0,0,0,0|2,0,0]=4 777 B11R1.87 O=S(=O)(O)C1=CC=CC=C1O CNP0450543.0 [0,2,0,0,0,0|2,0,0]=4 778 B11R1.155 CC(C)(C)C1=CC=CC(=C1)O CNP0077275.0 [0,2,0,0,0,0|1,0,0]=3 779 B11R1.155 CC1=CC=CC(=C1)C(C)(C)C CNP0123429.0 [0,2,0,0,0,0|1,0,0]=3 780 B11R1.155 CC1=CC=CC(=C1)C(C)(C)O CNP0612226.0 [0,2,0,0,0,0|0,0,0]=2 781 B11R1.155 CC1=CC=CC(=C1)[N+](C)(C)C CNP0546596.0 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.155 CC1=CC=C[C@@H](C1)C(C)(C)O CNP0123119.1 [0,2,0,0,0,0|0,0,2]=4 783 B11R1.155 CC1=CC=C[C@H](C1)C(C)(C)O CNP0123119.2 [0,2,0,0,0,0|0,0,2]=4 784 B11R1.155 NC1=CC=CC(=C1)S(=O)(=O)O CNP0197644.0 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.155 O=P(O)(O)C1=CC=CC(=C1)O CNP0441003.0 [0,2,0,0,0,0|2,0,0]=4 786 B11R1.155 O=S(=O)(O)C1=CC=CC(=C1)O CNP0166325.0 [0,2,0,0,0,0|2,0,0]=4 787 B11R1.53 C=C(C)C1=CC=CC=C1CO CNP0577541.0 [0,2,0,0,0,0|1,0,1]=4 788 B11R1.53 C=C(C)C1=CC=CC=C1OC CNP0134279.0 [0,2,0,0,0,0|1,0,1]=4 789 B11R1.53 CC(=O)C1=CC=CC=C1NO CNP0493046.0 [0,2,0,0,0,0|0,0,2]=4 790 B11R1.53 CC(C)C1=CC=CC=C1C=O CNP0492852.0 [0,2,0,0,0,0|1,0,0]=3 791 B11R1.53 CC(O)C1=CC=CC=C1CO CNP0540507.0 [0,2,0,0,0,0|0,0,0]=2 792 B11R1.53 CN(C)C1=CC=CC=C1CO CNP0418258.0 [0,2,0,0,0,0|2,0,0]=4 793 B11R1.53 CNC1=CC=CC=C1C(=O)O CNP0163080.0 [0,2,0,0,0,0|1,0,1]=4 794 B11R1.53 COC1=CC=CC=C1C(=O)O CNP0156098.0 [0,2,0,0,0,0|1,0,1]=4 795 B11R1.53 COC1=CC=CC=C1C(C)C CNP0578061.0 [0,2,0,0,0,0|1,0,0]=3 796 B11R1.53 COC1=CC=CC=C1N(C)C CNP0375184.0 [0,2,0,0,0,0|2,0,0]=4 797 B11R1.53 O=C(O)C1=CC=CC=C1CO CNP0283123.0 [0,2,0,0,0,0|1,0,1]=4 798 B11R1.53 O=C(O)C1=CC=CC=C1NO CNP0085034.0 [0,2,0,0,0,0|1,0,1]=4 799 B11R1.53 O=CC1=CC=CC=C1C(=O)O CNP0610125.0 [0,2,0,0,0,0|1,0,1]=4 800 B11R1.53 O=NC1=CC=CC=C1C(=O)O CNP0076644.0 [0,2,0,0,0,0|1,0,1]=4 801 B11R1.156 C=C(C)C1=C(C=CC=C1O)C CNP0547985.0 [0,2,0,0,0,0|1,0,1]=4 802 B11R1.156 CC(=O)C1=C(C=CC=C1O)C CNP0305756.0 [0,2,0,0,0,0|0,0,2]=4 803 B11R1.156 CC(=O)C1=C(C=CC=C1O)O CNP0132108.0 [0,2,0,0,0,0|0,0,2]=4 804 B11R1.156 CC1=CC=CC(=C1C(=O)O)C CNP0447536.0 [0,2,0,0,0,0|1,0,1]=4 805 B11R1.156 CC1=CC=CC(=C1C(=O)O)N CNP0474196.0 [0,2,0,0,0,0|1,0,1]=4 806 B11R1.156 CC1=CC=CC(=C1C(=O)O)O CNP0206449.0 [0,2,0,0,0,0|1,0,1]=4 807 B11R1.156 O=C(O)C1=C(C=CC=C1O)O CNP0200151.0 [0,2,0,0,0,0|1,0,1]=4 808 B11R1.159 C=C(C)C1=CC=CC(=C1C)O CNP0547009.0 [0,2,0,0,0,0|1,0,1]=4 809 B11R1.159 CC(=O)C1=CC=CC(=C1O)O CNP0306897.0 [0,2,0,0,0,0|0,0,2]=4 810 B11R1.159 CC(C)C1=CC=CC(=C1O)O CNP0066936.0 [0,2,0,0,0,0|1,0,0]=3 811 B11R1.159 CC1=C(C=CC=C1C(C)C)O CNP0487698.0 [0,2,0,0,0,0|1,0,0]=3 812 B11R1.159 CC1=CC=CC(=C1N)C(=O)O CNP0472872.0 [0,2,0,0,0,0|1,0,1]=4 813 B11R1.159 CC1=CC=CC(=C1N)C(C)C CNP0611703.0 [0,2,0,0,0,0|1,0,0]=3 814 B11R1.159 CC1=CC=CC(=C1O)C(=O)O CNP0134592.0 [0,2,0,0,0,0|1,0,1]=4 815 B11R1.159 NC1=C(C=CC=C1C(=O)O)Cl CNP0150804.0 [0,2,0,0,0,0|1,0,1]=4 816 B11R1.159 NC1=C(C=CC=C1C(=O)O)O CNP0324729.0 [0,2,0,0,0,0|1,0,1]=4 817 B11R1.159 NC1=CC=CC(=C1N)C(=O)O CNP0140316.0 [0,2,0,0,0,0|1,0,1]=4 818 B11R1.159 NC1=CC=CC(=C1O)C(=O)O CNP0299279.0 [0,2,0,0,0,0|1,0,1]=4 819 B11R1.159 O=C(O)C1=CC=CC(=C1O)O CNP0283277.0 [0,2,0,0,0,0|1,0,1]=4 820 B11R1.159 O=C(O)C1=CC=CC(=O)C1=O CNP0189448.0 [0,2,0,0,0,0|1,0,1]=4 821 B11R1.167 CC(=O)C1=CC(=CC=C1N)O CNP0207419.0 [0,2,0,0,0,0|0,0,2]=4 822 B11R1.167 CC(=O)C1=CC(=CC=C1O)C CNP0189333.0 [0,2,0,0,0,0|0,0,2]=4 823 B11R1.167 CC(=O)C1=CC(=CC=C1O)O CNP0226762.0 [0,2,0,0,0,0|0,0,2]=4 824 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)C CNP0331077.0 [0,2,0,0,0,0|1,0,1]=4 825 B11R1.167 CC1=CC=C(C(=C1)C(C)C)C CNP0319974.0 [0,2,0,0,0,0|1,0,0]=3 826 B11R1.167 CC1=CC=C(C(=C1)C(C)C)O CNP0297378.0 [0,2,0,0,0,0|1,0,0]=3 827 B11R1.167 CC1=CC=C(C=C1C(=O)O)O CNP0535211.0 [0,2,0,0,0,0|1,0,1]=4 828 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)O CNP0079833.0 [0,2,0,0,0,0|1,0,1]=4 829 B11R1.167 NC1=CC=C(C=C1C(=O)O)O CNP0213879.0 [0,2,0,0,0,0|1,0,1]=4 830 B11R1.167 O=C(O)C1=CC(=CC=C1O)O CNP0187458.0 [0,2,0,0,0,0|1,0,1]=4 831 B11R1.167 OC1=CC=C(C(=C1)C(O)Cl)O CNP0519910.0 [0,2,0,0,0,0|1,0,0]=3 832 B11R1.74 CC(=O)C1=CC(=CC(=C1)O)O CNP0352952.0 [0,2,0,0,0,0|0,0,2]=4 833 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)C CNP0469512.0 [0,2,0,0,0,0|1,0,1]=4 834 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)N CNP0441939.0 [0,2,0,0,0,0|1,0,1]=4 835 B11R1.74 CC1=CC(=CC(=C1)C(C)C)C CNP0172814.0 [0,2,0,0,0,0|1,0,0]=3 836 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O CNP0285554.0 [0,2,0,0,0,0|1,0,1]=4 837 B11R1.74 O=C(O)C1=CC(=CC(=C1)O)O CNP0151632.0 [0,2,0,0,0,0|1,0,1]=4 838 B11R1.266 CC(=O)C1=CC=CC(=C1)C=O CNP0357224.0 [0,2,0,0,0,0|0,0,2]=4 839 B11R1.266 CC(C)C1=CC=CC(=C1)C=O CNP0572774.0 [0,2,0,0,0,0|1,0,0]=3 840 B11R1.266 CCC1=CC=CC(=C1)C(=O)C CNP0129791.0 [0,2,0,0,0,0|0,0,2]=4 841 B11R1.266 COC1=CC=CC(=C1)C(=O)C CNP0402576.0 [0,2,0,0,0,0|0,0,2]=4 842 B11R1.266 COC1=CC=CC(=C1)C(=O)O CNP0251972.0 [0,2,0,0,0,0|1,0,1]=4 843 B11R1.266 COC1=CC=CC(=C1)N(C)C CNP0594647.0 [0,2,0,0,0,0|2,0,0]=4 844 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr CNP0445236.0 [0,2,0,0,0,0|1,0,1]=4 845 B11R1.266 O=CC1=CC=CC(=C1)C(=O)O CNP0507166.0 [0,2,0,0,0,0|1,0,1]=4 846 B9R1.48 CC1=CC=CC=C(O1)C CNP0612010.0 [0,0,1,1,0,0|0,0,2]=4 847 B9R1.50 C[C@@H]1/C=C/C=C/C=C/C1 CNP0322489.1 [0,0,1,1,0,0|1,0,0]=3 848 B9R1.50 C[C@@H]1/C=C\C=C/C=C\C1 CNP0322489.2 [0,0,1,1,0,0|1,0,0]=3 849 B9R1.148 CC1(C=CC=CC=C1)C CNP0497867.0 [0,0,1,1,0,0|1,0,0]=3 850 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [1,0,0,1,0,0|0,0,0]=2 851 B9R2.50 C1=CCC2=C(C1)CC2 CNP0258047.0 [1,0,0,1,0,0|0,0,2]=4 852 B9R2.2 C1=CSC(=C1)C2CC2 CNP0419636.0 [0,0,0,1,1,0|2,0,0]=4 853 B11R2.4 NC1C[C@H]1C2=CC=CC=C2 CNP0337465.1 [0,0,0,1,0,1|1,0,0]=3 854 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.2 [0,0,0,1,0,1|1,0,0]=3 855 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.3 [0,0,0,1,0,1|1,0,0]=3 856 B11R2.10 CC1=CC2=CC=CC=C2N1 CNP0223946.0 [0,0,0,1,0,1|1,0,1]=4 857 B11R2.10 CC1=CC2=CC=CC=C2O1 CNP0333088.0 [0,0,0,1,0,1|0,0,1]=3 858 B11R2.10 CC1=CC2=CC=CC=C2S1 CNP0195624.0 [0,0,0,1,0,1|0,1,1]=4 859 B11R2.10 CC1=NC2=CC=CC=C2O1 CNP0419573.0 [0,0,0,1,0,1|0,0,1]=3 860 B11R2.10 CC1=NC2=CC=CC=C2S1 CNP0308312.0 [0,0,0,1,0,1|0,1,1]=4 861 B11R2.10 C[C@@H]1CC2=CC=CC=C2N1 CNP0247446.2 [0,0,0,1,0,1|1,0,0]=3 862 B11R2.10 C[C@H]1CC2=CC=CC=C2N1 CNP0247446.1 [0,0,0,1,0,1|1,0,0]=3 863 B11R2.10 NC1N=C2C=CC=CC2=N1 CNP0551508.0 [0,0,0,1,0,1|2,0,0]=4 864 B11R2.10 O=C1CC2=CC=CC=C2N1 CNP0161017.0 [0,0,0,1,0,1|0,0,2]=4 865 B11R2.10 O=C1CC2=CC=CC=C2O1 CNP0562926.0 [0,0,0,1,0,1|0,0,2]=4 866 B11R2.10 O=C1NC2=CC=CC=C2O1 CNP0175268.0 [0,0,0,1,0,1|1,0,1]=4 867 B11R2.10 OC1=NC2=CC=CC=C2C1 CNP0587736.0 [0,0,0,1,0,1|0,0,1]=3 868 B11R2.10 OC1=NC2=CC=CC=C2O1 CNP0479137.0 [0,0,0,1,0,1|1,0,1]=4 869 B11R2.10 OC1=NC2=CC=CC=C2S1 CNP0172585.0 [0,0,0,1,0,1|1,0,1]=4 870 B11R2.10 ON1N=C2C=CC=CC2=N1 CNP0001267.0 [0,0,0,1,0,1|2,0,0]=4 871 B11R2.59 CC1(CC2=CC=CC=C12)C CNP0056719.0 [0,0,0,1,0,1|1,0,0]=3 872 B11R2.59 C[C@@]1(CC2=CC=CC=C12)O CNP0029617.2 [0,0,0,1,0,1|0,0,0]=2 873 B11R2.59 C[C@]1(CC2=CC=CC=C12)O CNP0029617.1 [0,0,0,1,0,1|0,0,0]=2 874 B11R2.59 ClC1(CC2=CC=CC=C12)Cl CNP0229981.0 [0,0,0,1,0,1|2,0,0]=4 875 B11R2.34 BrC1=CC=C(C=C1)C2CC2 CNP0510546.0 [0,1,0,1,0,0|1,0,0]=3 876 B11R2.363 CC1=CC=C2C(=O)CC2=C1 CNP0317782.0 [0,1,0,1,0,0|0,0,2]=4 877 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [0,1,0,1,0,0|1,0,1]=4 878 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [0,1,0,1,0,0|1,0,1]=4 879 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [0,1,0,1,0,0|0,1,1]=4 880 B11R2.1 CN1N=NC2=CC=CC=C12 CNP0059083.0 [0,1,0,1,0,0|2,0,0]=4 881 B11R2.1 C[C@@H]1C=CC2=CC=CC=C12 CNP0066516.2 [0,1,0,1,0,0|1,0,0]=3 882 B11R2.1 C[C@H]1C=CC2=CC=CC=C12 CNP0066516.1 [0,1,0,1,0,0|1,0,0]=3 883 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [0,1,0,1,0,0|1,0,0]=3 884 B11R2.1 C[C@H]1CCC2=CC=NC=C12 CNP0192635.1 [0,1,0,1,0,0|2,0,0]=4 885 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [0,1,0,1,0,0|1,0,1]=4 886 B11R2.1 NC1=[NH+]CC2=CC=CC=C12 CNP0601327.0 [0,1,0,1,0,0|1,0,1]=4 887 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [0,1,0,1,0,0|0,0,2]=4 888 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [0,1,0,1,0,0|0,0,2]=4 889 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [0,1,0,1,0,0|0,0,2]=4 890 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [0,1,0,1,0,0|0,0,2]=4 891 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [0,1,0,1,0,0|0,0,2]=4 892 B11R2.1 OC1=CNC2=CC=CC=C12 CNP0133122.0 [0,1,0,1,0,0|0,0,2]=4 893 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [0,1,0,1,0,0|0,0,1]=3 894 B11R2.1 OC1=NOC2=CC=CC=C12 CNP0079924.0 [0,1,0,1,0,0|1,0,1]=4 895 B11R2.1 ON1N=NC2=CC=CC=C12 CNP0077091.0 [0,1,0,1,0,0|2,0,0]=4 896 B11R2.1 [O-][N+]1=C2C=CC=CC2=NO1 CNP0580916.0 [0,1,0,1,0,0|2,0,0]=4 897 B11R2.54 O=C1C2=CC=CC=C2[C@@H]1Cl CNP0371537.2 [0,1,0,1,0,0|0,0,2]=4 898 B11R2.54 O=C1C2=CC=CC=C2[C@H]1Cl CNP0371537.1 [0,1,0,1,0,0|0,0,2]=4 899 B11R2.988 C=C[C@@H]1CC2=CC=CC=C12 CNP0030371.1 [0,1,0,1,0,0|1,0,0]=3 900 B11R2.988 C=C[C@H]1CC2=CC=CC=C12 CNP0030371.2 [0,1,0,1,0,0|1,0,0]=3 901 B11R2.988 N#C[C@@H]1CC2=CC=CC=C12 CNP0391601.2 [0,1,0,1,0,0|1,0,0]=3 902 B11R2.988 N#C[C@H]1CC2=CC=CC=C12 CNP0391601.1 [0,1,0,1,0,0|1,0,0]=3 903 B11R2.988 ON=C1CC2=CC=CC=C12 CNP0045163.0 [0,1,0,1,0,0|0,0,1]=3 904 B11R2.55 CC1=CC=CC=C1C2CO2 CNP0595816.0 [0,1,0,1,0,0|0,0,0]=2 905 B11R2.468 O=C1CC2=CC=CC(=C12)Br CNP0327870.0 [0,1,0,1,0,0|0,0,2]=4 906 B11R2.468 O=C1CC2=CC=CC(=C12)Cl CNP0193006.0 [0,1,0,1,0,0|0,0,2]=4 907 B11R2.104 CC1=CC=CC2=C1CC2=O CNP0057604.0 [0,1,0,1,0,0|0,0,2]=4 908 B11R2.117 CC1=CC=C2CC(=O)C2=C1 CNP0035023.0 [0,1,0,1,0,0|0,0,2]=4 909 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,0,0,0,1,0|1,0,0]=3 910 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,0,0,0,1,0|1,0,0]=3 911 B7R1.1 CCC1=COC=C1 CNP0136418.0 [1,0,0,0,1,0|1,0,0]=3 912 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [1,0,0,0,1,0|1,0,0]=3 913 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [1,0,0,0,1,0|2,0,0]=4 914 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [1,0,0,0,1,0|1,0,0]=3 915 B7R1.1 COC1=CC=CN1 CNP0098587.0 [1,0,0,0,1,0|2,0,0]=4 916 B7R1.1 COC1=COC=C1 CNP0503708.0 [1,0,0,0,1,0|2,0,0]=4 917 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [1,0,0,0,1,0|2,0,0]=4 918 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [1,0,0,0,1,0|1,0,0]=3 919 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [1,0,0,0,1,0|1,0,0]=3 920 B7R1.1 OCC1=COC=C1 CNP0248845.0 [1,0,0,0,1,0|1,0,0]=3 921 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [1,0,0,0,1,0|1,0,0]=3 922 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [1,0,0,0,1,0|1,1,0]=4 923 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [1,0,0,0,1,0|1,1,0]=4 924 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,0,0,0,0,2|1,0,1]=4 925 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,0,0,0,0,2|0,0,2]=4 926 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,0,0,0,0,2|0,0,2]=4 927 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,0,0,0,0,2|0,0,2]=4 928 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [0,0,0,0,0,2|0,0,2]=4 929 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [0,0,0,0,0,2|1,0,0]=3 930 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [0,0,0,0,0,2|0,0,0]=2 931 B11R1.91 CN(C)C=NC1=CC=CC=C1 CNP0489804.0 [0,0,0,0,0,2|2,0,0]=4 932 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [0,0,0,0,0,2|2,0,0]=4 933 B11R1.91 CN(C)N=NC1=CC=CC=C1 CNP0594797.0 [0,0,0,0,0,2|2,0,0]=4 934 B11R1.91 C[C@@H](O)C#CC1=CC=CC=N1 CNP0483155.1 [0,0,0,0,0,2|1,0,0]=3 935 B11R1.91 C[C@H](O)C#CC1=CC=CC=N1 CNP0483155.2 [0,0,0,0,0,2|1,0,0]=3 936 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [0,0,0,0,0,2|0,0,0]=2 937 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [0,0,0,0,0,2|1,0,1]=4 938 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [0,0,0,0,0,2|1,0,1]=4 939 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,0,0,0,0,2|1,0,1]=4 940 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [0,0,0,0,0,2|1,0,1]=4 941 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [0,0,0,0,0,2|1,0,1]=4 942 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,0,0,0,0,2|1,0,1]=4 943 B11R1.91 OB(O)CCC1=CC=CC=C1 CNP0528561.0 [0,0,0,0,0,2|2,0,0]=4