0 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.6 CC(=O)C1=CCCCN1 CNP0423535.0 [0,0,0,0,0,0|1,0,3]=4 9 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [0,0,0,0,0,0|0,0,0]=0 10 B9R1.6 CC(=O)C1=CSCCN1 CNP0003045.0 [0,0,0,0,0,0|1,0,3]=4 11 B9R1.6 CC(=O)C1=NCCCC1 CNP0342346.0 [0,0,0,0,0,0|1,0,3]=4 12 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.6 CC(C)C1=CCC=CC1 CNP0531274.0 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [0,0,0,0,0,0|1,0,1]=2 16 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [0,0,0,0,0,0|0,0,2]=2 17 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [0,0,0,0,0,0|2,0,2]=4 20 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [0,0,0,0,0,0|2,0,2]=4 22 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.6 N=C(S)C1=CC=CN=C1 CNP0553237.0 [0,0,0,0,0,0|2,1,0]=3 25 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.6 NC(=O)C1=CN=CC=N1 CNP0559029.0 [0,0,0,0,0,0|1,0,0]=1 30 B9R1.6 NC(=S)C1=CC=CN=C1 CNP0184066.0 [0,0,0,0,0,0|2,1,0]=3 31 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [0,0,0,0,0,0|1,0,0]=1 39 B9R1.6 O=C(O)C1=NC=COC1 CNP0348069.0 [0,0,0,0,0,0|2,0,1]=3 40 B9R1.6 O=C(O)C1C=CCN=C1 CNP0025301.0 [0,0,0,0,0,0|2,0,2]=4 41 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [0,0,0,0,0,0|2,0,0]=2 46 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [0,0,0,0,0,0|2,0,0]=2 47 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [0,0,0,0,0,0|2,0,0]=2 48 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [0,0,0,0,0,0|4,0,0]=4 50 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [0,0,0,0,0,0|4,0,0]=4 52 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [1,0,0,0,0,0|1,0,1]=3 53 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [1,0,0,0,0,0|1,0,1]=3 55 B8R1.2 C=CC1=CCC=CC1 CNP0573497.0 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [1,0,0,0,0,0|0,0,1]=2 57 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [1,0,0,0,0,0|1,0,1]=3 59 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [1,0,0,0,0,0|1,0,1]=3 60 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [1,0,0,0,0,0|0,0,1]=2 61 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [1,0,0,0,0,0|1,0,0]=2 66 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [1,0,0,0,0,0|1,0,0]=2 68 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.2 N#CC1=CN=CC=N1 CNP0023913.0 [1,0,0,0,0,0|1,0,1]=3 71 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [1,0,0,0,0,0|1,0,0]=2 74 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [1,0,0,0,0,0|2,0,1]=4 75 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [1,0,0,0,0,0|1,0,0]=2 76 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [1,0,0,0,0,0|1,0,2]=4 79 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [1,0,0,0,0,0|2,1,0]=4 80 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [1,0,0,0,0,0|1,1,1]=4 81 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [1,0,0,0,0,0|1,1,1]=4 82 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [1,0,0,0,0,0|0,1,1]=3 83 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.13 C=C(C)C1=CCC(=CC1)C CNP0603428.0 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [0,1,0,0,0,0|1,0,0]=2 92 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [0,1,0,0,0,0|2,0,1]=4 93 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [0,1,0,0,0,0|0,0,0]=1 95 B10R1.13 CC(=O)C1=CNC(=O)CC1 CNP0234990.0 [0,1,0,0,0,0|1,0,2]=4 96 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.13 CC1=CC=C(C=N1)[C@H](C)N CNP0243226.1 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.13 CC1=CN=C(C=N1)C(C)C CNP0266332.0 [0,1,0,0,0,0|1,0,1]=3 102 B10R1.13 N=C1C=CC(=CN1)C(=O)N CNP0537992.0 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.13 NC(=O)C1=CC=C(N=C1)Cl CNP0263777.0 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.13 NC(=O)C1=CC=C(N=C1)N CNP0343331.0 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.13 NC(=O)C1=CNC(=O)C=N1 CNP0002360.0 [0,1,0,0,0,0|1,0,1]=3 107 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.13 O=C(O)C1=CNC(=O)C=C1 CNP0533542.0 [0,1,0,0,0,0|2,0,1]=4 117 B10R1.13 O=C(O)C1=COC(=O)C=C1 CNP0363999.0 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.13 O=C1CC=C(C=N1)C(=O)O CNP0253562.0 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [0,1,0,0,0,0|2,0,1]=4 122 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.15 CC(=NO)C1=CC=CC=N1 CNP0145934.0 [0,1,0,0,0,0|1,0,1]=3 126 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [0,1,0,0,0,0|2,0,1]=4 127 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [0,1,0,0,0,0|1,0,0]=2 130 B10R1.15 CCC(C)C1=CN=CC=N1 CNP0519520.0 [0,1,0,0,0,0|1,0,1]=3 131 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [0,1,0,0,0,0|1,0,0]=2 134 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [0,1,0,0,0,0|1,0,0]=2 136 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [0,1,0,0,0,0|0,0,0]=1 138 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.15 CS[S@+]([O-])C1=CC=CC=N1 CNP0536900.1 [0,1,0,0,0,0|2,0,1]=4 140 B10R1.15 CS[S@H+]([O-])C1=CC=CC=N1 CNP0548879.1 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [0,1,0,0,0,0|2,0,1]=4 142 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.15 NNC(=O)C1=CC=CC=N1 CNP0280058.0 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.15 NNC(=O)C1=CC=CN=C1 CNP0220603.0 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.15 O=C(NO)C1=CC=CN=C1 CNP0109606.0 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [0,1,0,0,0,0|2,0,1]=4 151 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [0,1,0,0,0,0|1,0,0]=2 156 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [0,1,0,0,0,0|1,0,0]=2 158 B10R1.61 CC(=O)C1=NC=CN=C1C CNP0253592.0 [0,1,0,0,0,0|0,0,0]=1 159 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.61 CC1=CC=NC=C1C(=O)N CNP0051605.0 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [0,1,0,0,0,0|2,0,0]=3 163 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [0,1,0,0,0,0|2,0,0]=3 164 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] CNP0503158.0 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.61 NC(=O)C1=CN=CC=C1O CNP0172133.0 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.61 NC(=O)C1=CNC=CC1=O CNP0612033.0 [0,1,0,0,0,0|2,0,1]=4 170 B10R1.61 NC(=O)C1C=NC=CC1=O CNP0547525.0 [0,1,0,0,0,0|2,0,1]=4 171 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] CNP0602908.0 [0,1,0,0,0,0|2,0,1]=4 178 B10R1.61 O=C(O)C1=CN=CC=C1O CNP0530780.0 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.61 O=C(O)C1=CNC=CC1=O CNP0248624.0 [0,1,0,0,0,0|2,0,1]=4 180 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [0,1,0,0,0,0|1,0,0]=2 187 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [0,1,0,0,0,0|1,0,0]=2 190 B10R1.113 CC(=O)C1=CC=NC(=C1)C CNP0130309.0 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.113 CC(=O)C1=CC=NC(=N1)C CNP0002761.0 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.113 CC(=O)C1=CN=CC(=N1)C CNP0203501.0 [0,1,0,0,0,0|0,0,0]=1 193 B10R1.113 CC1=CC=CC(=C1)C(=O)Cl CNP0329068.0 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.113 CC1=CC=CC(=C1)C(=O)N CNP0150793.0 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.113 CC1=CC=NC(=C1)C(C)C CNP0555146.0 [0,1,0,0,0,0|2,0,1]=4 197 B10R1.113 CC1=CN=CC(=C1)C(=O)O CNP0520053.0 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.113 CC1=CN=CC(=N1)C(C)C CNP0492233.0 [0,1,0,0,0,0|1,0,1]=3 199 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0212015.0 [0,1,0,0,0,0|2,0,1]=4 200 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0497456.0 [0,1,0,0,0,0|2,0,1]=4 201 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0524507.0 [0,1,0,0,0,0|2,0,1]=4 202 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0588667.0 [0,1,0,0,0,0|2,0,1]=4 203 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0337775.0 [0,1,0,0,0,0|2,0,1]=4 204 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0563691.0 [0,1,0,0,0,0|2,0,1]=4 205 B10R1.113 NC(=O)C1=CC=CC(=C1)Br CNP0018100.0 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CNP0036584.0 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.113 NC(=O)C1=CC=CC(=C1)N CNP0576660.0 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.113 NC(=O)C1=CC=CC(=C1)O CNP0113657.0 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.113 NC(=O)C1=CC=C[N+](=C1)[O-] CNP0508767.0 [0,1,0,0,0,0|2,0,1]=4 210 B10R1.113 NC(=O)C1=CN=CC(=C1)Br CNP0596398.0 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.113 NC1=CC=CC(=C1)C(=O)O CNP0081123.0 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.113 NC1=NC=CC(=N1)C(=O)O CNP0302261.0 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.113 O=C(Cl)C1=CC=CC(=C1)Br CNP0018295.0 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.113 O=C(O)C1=CC=CC(=C1)Br CNP0356258.0 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.113 O=C(O)C1=CC=CC(=C1)Cl CNP0206363.0 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.113 O=C(O)C1=CC=CC(=C1)O CNP0217243.0 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.113 O=C(O)C1=CC=C[N+](=C1)[O-] CNP0486873.0 [0,1,0,0,0,0|2,0,1]=4 218 B10R1.113 O=C(O)C1=CN=CC(=C1)O CNP0573743.0 [0,1,0,0,0,0|2,0,0]=3 219 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [0,0,1,0,0,0|2,0,1]=4 220 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [0,0,1,0,0,0|3,0,0]=4 221 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [0,0,1,0,0,0|2,0,0]=3 222 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [0,0,1,0,0,0|2,0,1]=4 223 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [0,0,0,1,0,0|2,0,0]=3 224 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,0,0,0,1,0|2,0,0]=3 225 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [0,0,0,0,1,0|0,0,1]=2 226 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,0,0,0,1,0|1,0,0]=2 227 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [0,0,0,0,1,0|1,0,0]=2 228 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [0,0,0,0,1,0|1,0,0]=2 229 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [0,0,0,0,1,0|1,0,0]=2 230 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [0,0,0,0,1,0|1,0,0]=2 231 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [0,0,0,0,1,0|0,0,3]=4 232 B8R1.7 CC(=O)C1=NCCS1 CNP0314026.0 [0,0,0,0,1,0|1,0,2]=4 233 B8R1.7 CC(=O)C1CC=CO1 CNP0077183.0 [0,0,0,0,1,0|1,0,2]=4 234 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [0,0,0,0,1,0|2,0,0]=3 235 B8R1.7 CC(=O)N1C=CCC1 CNP0356664.0 [0,0,0,0,1,0|2,0,1]=4 236 B8R1.7 CC(=O)N1C=CN=C1 CNP0241131.0 [0,0,0,0,1,0|1,0,0]=2 237 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [0,0,0,0,1,0|2,0,1]=4 238 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,0,0,0,1,0|1,0,2]=4 239 B8R1.7 CC(O)C1=COC=C1 CNP0571586.0 [0,0,0,0,1,0|1,0,2]=4 240 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [0,0,0,0,1,0|1,1,1]=4 241 B8R1.7 N=C(N)C1=CNC=C1 CNP0175119.0 [0,0,0,0,1,0|2,0,1]=4 242 B8R1.7 N=C(N)C1=CNN=C1 CNP0590874.0 [0,0,0,0,1,0|3,0,0]=4 243 B8R1.7 N=C(N)N1C=NC=N1 CNP0529226.0 [0,0,0,0,1,0|3,0,0]=4 244 B8R1.7 NC(=C1C=CN=C1)N CNP0090850.0 [0,0,0,0,1,0|2,0,0]=3 245 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [0,0,0,0,1,0|1,0,1]=3 246 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [0,0,0,0,1,0|2,0,0]=3 247 B8R1.7 NC(=O)C1=CN=CN1 CNP0585568.0 [0,0,0,0,1,0|1,0,1]=3 248 B8R1.7 NC(=O)C1=CNC=N1 CNP0130014.0 [0,0,0,0,1,0|1,0,1]=3 249 B8R1.7 NC(=O)C1=NNC=C1 CNP0117366.0 [0,0,0,0,1,0|2,0,0]=3 250 B8R1.7 O=C(Cl)C1=COC=C1 CNP0176972.0 [0,0,0,0,1,0|2,0,0]=3 251 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [0,0,0,0,1,0|1,0,1]=3 252 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [0,0,0,0,1,0|2,0,0]=3 253 B8R1.7 O=C(O)C1=CN=CN1 CNP0581478.0 [0,0,0,0,1,0|1,0,1]=3 254 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [0,0,0,0,1,0|1,0,1]=3 255 B8R1.7 O=C(O)C1=CNC=N1 CNP0458584.0 [0,0,0,0,1,0|1,0,1]=3 256 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [0,0,0,0,1,0|2,0,0]=3 257 B8R1.7 O=C(O)C1=CON=C1 CNP0604481.0 [0,0,0,0,1,0|2,0,0]=3 258 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [0,0,0,0,1,0|2,0,0]=3 259 B8R1.7 O=C(O)C1=CSC=N1 CNP0506854.0 [0,0,0,0,1,0|2,0,0]=3 260 B8R1.7 O=C(O)C1=CSN=N1 CNP0448076.0 [0,0,0,0,1,0|3,0,0]=4 261 B8R1.7 O=C(O)C1=NNC=C1 CNP0261181.0 [0,0,0,0,1,0|2,0,0]=3 262 B8R1.7 O=[N+]([O-])C1=CC=CS1 CNP0489740.0 [0,0,0,0,1,0|3,0,0]=4 263 B8R1.7 O=[N+]([O-])C1=NC=CN1 CNP0566258.0 [0,0,0,0,1,0|2,0,1]=4 264 B8R1.7 O=[N+]([O-])C1=NNN=C1 CNP0490772.0 [0,0,0,0,1,0|3,0,0]=4 265 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [0,0,0,0,0,1|3,0,0]=4 266 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [0,0,0,0,0,1|3,0,0]=4 267 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [0,0,0,0,0,1|3,0,0]=4 268 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [0,0,0,0,0,1|2,0,0]=3 269 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [0,0,0,0,0,1|2,0,0]=3 270 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [0,0,0,0,0,1|2,0,0]=3 271 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [0,0,0,0,0,1|1,0,0]=2 272 B10R1.18 CC(=O)OC1=CCC=CO1 CNP0436618.0 [0,0,0,0,0,1|2,0,0]=3 273 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [0,0,0,0,0,1|2,1,0]=4 274 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [0,0,0,0,0,1|2,0,1]=4 275 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [0,0,0,0,0,1|2,0,1]=4 276 B10R1.18 CC(C)CC1=CN=CC=N1 CNP0525253.0 [0,0,0,0,0,1|1,0,1]=3 277 B10R1.18 N=C(N)NC1=CC=CN=C1 CNP0217944.0 [0,0,0,0,0,1|3,0,0]=4 278 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [0,0,0,0,0,1|3,0,0]=4 279 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [0,0,0,0,0,1|3,0,0]=4 280 B10R1.18 NC(=S)CC1=CC=CC=N1 CNP0060644.0 [0,0,0,0,0,1|2,1,0]=4 281 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [0,0,0,0,0,1|3,0,0]=4 282 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [0,0,0,0,0,1|3,0,0]=4 283 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [0,0,0,0,0,1|3,0,0]=4 284 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [0,0,0,0,0,1|2,0,0]=3 285 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [0,0,0,0,0,1|3,0,0]=4 286 B7R0.1 C=CC=CCC=CC CNP0290357.0 [1,0,1,0,0,0|2,0,0]=4 287 B7R0.1 CC=CC=CC=CC CNP0185443.0 [1,0,1,0,0,0|2,0,0]=4 288 B7R0.1 O=CC=CC=CC=O CNP0204128.0 [1,0,1,0,0,0|2,0,0]=4 289 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [1,0,1,0,0,0|2,0,0]=4 290 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [1,0,1,0,0,0|1,0,0]=3 291 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [1,0,1,0,0,0|2,0,0]=4 292 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [1,0,1,0,0,0|2,0,0]=4 293 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [1,0,1,0,0,0|1,0,1]=4 294 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [2,0,0,0,0,0|2,0,0]=4 295 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [2,0,0,0,0,0|2,0,0]=4 296 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [2,0,0,0,0,0|1,0,0]=3 297 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [2,0,0,0,0,0|1,0,0]=3 298 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [2,0,0,0,0,0|2,0,0]=4 299 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [2,0,0,0,0,0|2,0,0]=4 300 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [2,0,0,0,0,0|0,0,0]=2 301 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [2,0,0,0,0,0|2,0,0]=4 302 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [2,0,0,0,0,0|2,0,0]=4 303 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [2,0,0,0,0,0|2,0,0]=4 304 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [2,0,0,0,0,0|1,0,1]=4 305 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [2,0,0,0,0,0|2,0,0]=4 306 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [2,0,0,0,0,0|2,0,0]=4 307 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [2,0,0,0,0,0|0,0,1]=3 308 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [2,0,0,0,0,0|1,0,1]=4 309 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [2,0,0,0,0,0|1,0,1]=4 310 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [2,0,0,0,0,0|1,1,0]=4 311 B9R1.1 C=CC1=CN=C(C=N1)C CNP0137155.0 [1,1,0,0,0,0|0,0,1]=3 312 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [1,1,0,0,0,0|2,0,0]=4 313 B9R1.1 CC1=CN=C(C=N1)CO CNP0207768.0 [1,1,0,0,0,0|0,0,2]=4 314 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [1,1,0,0,0,0|1,0,1]=4 315 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [1,1,0,0,0,0|1,0,1]=4 316 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [1,1,0,0,0,0|0,0,1]=3 317 B9R1.1 COC1=CN=C(C=N1)C CNP0002521.0 [1,1,0,0,0,0|1,0,0]=3 318 B9R1.1 CSC1=CN=C(C=N1)C CNP0168152.0 [1,1,0,0,0,0|1,0,0]=3 319 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [1,1,0,0,0,0|2,0,0]=4 320 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.1 O=NC1=CC=C(C=N1)Br CNP0417097.0 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.1 O=NC1=CC=C(C=N1)Cl CNP0071252.0 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.2 C=CC1=CN=CC(=N1)C CNP0169633.0 [1,1,0,0,0,0|0,0,1]=3 324 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [1,1,0,0,0,0|2,0,0]=4 325 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [1,1,0,0,0,0|1,0,1]=4 328 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [1,1,0,0,0,0|1,0,1]=4 329 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [1,1,0,0,0,0|1,0,1]=4 330 B9R1.2 CCC1=CN=CC(=N1)C CNP0156975.0 [1,1,0,0,0,0|0,0,1]=3 331 B9R1.2 COC1=CN=CC(=N1)C CNP0002520.0 [1,1,0,0,0,0|1,0,0]=3 332 B9R1.2 CSC1=CN=CC(=N1)C CNP0081006.0 [1,1,0,0,0,0|1,0,0]=3 333 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,1,0,0,0,0|1,0,0]=3 337 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [1,1,0,0,0,0|0,0,0]=2 338 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [1,1,0,0,0,0|1,0,1]=4 339 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [1,1,0,0,0,0|1,0,1]=4 340 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [1,1,0,0,0,0|0,0,1]=3 341 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [1,1,0,0,0,0|1,0,1]=4 342 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,1,0,0,0,0|2,0,0]=4 344 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,1,0,0,0,0|2,0,0]=4 345 B9R1.8 O=CNC1=NC=CC=N1 CNP0027071.0 [1,1,0,0,0,0|2,0,0]=4 346 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [1,1,0,0,0,0|0,0,1]=3 349 B9R1.15 C=CC1=NC=CN=C1C CNP0133832.0 [1,1,0,0,0,0|0,0,1]=3 350 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [1,1,0,0,0,0|1,0,1]=4 353 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [1,1,0,0,0,0|1,0,1]=4 354 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [1,1,0,0,0,0|0,0,1]=3 355 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [1,1,0,0,0,0|2,0,0]=4 356 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [1,1,0,0,0,0|1,0,0]=3 358 B9R1.15 CSC1=NC=CN=C1C CNP0238636.0 [1,1,0,0,0,0|1,0,0]=3 359 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [1,1,0,0,0,0|2,0,0]=4 362 B9R1.11 CC(=NO)C1=CC=CN1 CNP0158738.0 [0,1,0,0,1,0|0,0,2]=4 363 B9R1.11 CC(=NO)C1=CC=CS1 CNP0182466.0 [0,1,0,0,1,0|1,0,1]=4 364 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [0,1,0,0,1,0|0,0,1]=3 365 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [0,1,0,0,1,0|1,0,0]=3 366 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [0,1,0,0,1,0|1,0,0]=3 367 B9R1.11 CCC(=O)C1=NC=CS1 CNP0135536.0 [0,1,0,0,1,0|1,0,0]=3 368 B9R1.11 CCC(=O)N1C=CN=C1 CNP0053427.0 [0,1,0,0,1,0|1,0,0]=3 369 B9R1.11 COC(=O)C1=CC=CN1 CNP0239045.0 [0,1,0,0,1,0|0,0,1]=3 370 B9R1.11 COC(=O)C1=CC=CO1 CNP0272116.0 [0,1,0,0,1,0|1,0,0]=3 371 B9R1.11 COC(=O)C1=COC=C1 CNP0209204.0 [0,1,0,0,1,0|1,0,0]=3 372 B9R1.11 COC(=O)C1=CSN=N1 CNP0045688.0 [0,1,0,0,1,0|2,0,0]=4 373 B9R1.11 COC(=O)C1=NNC=C1 CNP0060175.0 [0,1,0,0,1,0|1,0,0]=3 374 B9R1.11 COC(=O)N1C=CN=C1 CNP0310678.0 [0,1,0,0,1,0|1,0,0]=3 375 B9R1.11 CSC(=O)C1=CC=CO1 CNP0002776.0 [0,1,0,0,1,0|1,0,0]=3 376 B9R1.11 NNC(=O)C1=CC=CO1 CNP0223197.0 [0,1,0,0,1,0|2,0,0]=4 377 B9R1.11 O=C(CO)C1=CC=CO1 CNP0312445.0 [0,1,0,0,1,0|1,0,0]=3 378 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [0,1,0,0,1,0|1,0,0]=3 379 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [0,1,0,0,1,0|1,0,0]=3 380 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [0,1,0,0,1,0|1,0,0]=3 381 B9R1.35 CC(=O)C1=CN(C=C1)C CNP0609118.0 [0,1,0,0,1,0|0,0,1]=3 382 B9R1.35 CC(=O)C1=CN=C(O1)C CNP0541227.0 [0,1,0,0,1,0|1,0,0]=3 383 B9R1.35 CC(=O)C1=NC(=CS1)C CNP0322943.0 [0,1,0,0,1,0|1,0,0]=3 384 B9R1.35 CC1=CC(=CO1)C(=O)O CNP0306402.0 [0,1,0,0,1,0|2,0,0]=4 385 B9R1.35 CC1=CC(=NO1)C(=O)N CNP0222722.0 [0,1,0,0,1,0|2,0,0]=4 386 B9R1.35 CC1=CC(=NO1)C(=O)O CNP0309988.0 [0,1,0,0,1,0|2,0,0]=4 387 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [0,1,0,0,1,0|2,0,0]=4 388 B9R1.35 CC1=CN(N=C1)C(=O)O CNP0600504.0 [0,1,0,0,1,0|2,0,0]=4 389 B9R1.35 CC1=CNC(=C1)C(=O)O CNP0109431.0 [0,1,0,0,1,0|1,0,1]=4 390 B9R1.35 CC1=COC(=C1)C(=O)O CNP0234380.0 [0,1,0,0,1,0|2,0,0]=4 391 B9R1.35 CC1=NC=C(N1)C(=O)O CNP0443494.0 [0,1,0,0,1,0|1,0,1]=4 392 B9R1.35 CC1=NN(C=C1)C(=O)N CNP0055854.0 [0,1,0,0,1,0|2,0,0]=4 393 B9R1.35 NC(=O)C1=CC(=CN1)Br CNP0149276.0 [0,1,0,0,1,0|1,0,1]=4 394 B9R1.35 NC(=O)C1=CC=C(N1)Br CNP0307809.0 [0,1,0,0,1,0|1,0,1]=4 395 B9R1.35 NC(=O)C1=CC=C(S1)Br CNP0540435.0 [0,1,0,0,1,0|2,0,0]=4 396 B9R1.35 O=C(O)C1=CC(=CN1)Br CNP0268142.0 [0,1,0,0,1,0|1,0,1]=4 397 B9R1.35 O=C(O)C1=CC(=CN1)O CNP0363770.0 [0,1,0,0,1,0|1,0,1]=4 398 B9R1.35 O=C(O)C1=CC=C(N1)Br CNP0435630.0 [0,1,0,0,1,0|1,0,1]=4 399 B9R1.35 O=C(O)C1=CC=C(O1)O CNP0082303.0 [0,1,0,0,1,0|2,0,0]=4 400 B9R1.35 O=C1N=CC(=N1)C(=O)O CNP0147589.0 [0,1,0,0,1,0|1,0,0]=3 401 B9R1.41 C=C1C=CC=C1C(=O)O CNP0542431.0 [0,1,0,0,1,0|2,0,0]=4 402 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [0,1,0,0,1,0|1,0,0]=3 403 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [0,1,0,0,1,0|1,0,0]=3 404 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [0,1,0,0,1,0|1,0,0]=3 405 B9R1.41 CC(=O)C1=CC=CN1C CNP0231933.0 [0,1,0,0,1,0|0,0,1]=3 406 B9R1.41 CC(=O)C1=CNC=C1C CNP0286999.0 [0,1,0,0,1,0|0,0,1]=3 407 B9R1.41 CC1=C(C=CO1)C(=O)O CNP0152585.0 [0,1,0,0,1,0|2,0,0]=4 408 B9R1.41 CC1=C(NC=C1)C(=O)O CNP0198389.0 [0,1,0,0,1,0|1,0,1]=4 409 B9R1.41 CC1=C(NN=C1)C(=O)O CNP0611632.0 [0,1,0,0,1,0|2,0,0]=4 410 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [0,1,0,0,1,0|2,0,0]=4 411 B9R1.41 CC1=C(OC=N1)C(=O)N CNP0037619.0 [0,1,0,0,1,0|2,0,0]=4 412 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [0,1,0,0,1,0|2,0,0]=4 413 B9R1.41 CC1=CC=NN1C(=O)N CNP0051852.0 [0,1,0,0,1,0|2,0,0]=4 414 B9R1.41 CC1=CNN=C1C(=O)O CNP0171150.0 [0,1,0,0,1,0|2,0,0]=4 415 B9R1.41 CN1N=CC=C1C(=O)O CNP0141031.0 [0,1,0,0,1,0|2,0,0]=4 416 B9R1.41 NC(=O)C1=C(N=CN1)N CNP0490493.0 [0,1,0,0,1,0|1,0,1]=4 417 B9R1.41 NC(=O)C1=C(NC=N1)N CNP0545145.0 [0,1,0,0,1,0|1,0,1]=4 418 B9R1.41 NC(=O)C1=CNC=C1Br CNP0427935.0 [0,1,0,0,1,0|1,0,1]=4 419 B9R1.41 NC(=O)[C@H]1N=CN=C1N CNP0212816.1 [0,1,0,0,1,0|1,0,1]=4 420 B9R1.41 O=C(O)C1=CON=C1O CNP0539416.0 [0,1,0,0,1,0|2,0,0]=4 421 B9R1.41 O=C(O)C1=NON=C1O CNP0539501.0 [0,1,0,0,1,0|2,0,0]=4 422 B9R1.41 O=C(O)C1=NSN=C1O CNP0549412.0 [0,1,0,0,1,0|2,0,0]=4 423 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.20 CC(=O)NC1=CC=C(C=N1)Cl CNP0056612.0 [0,1,0,0,0,1|1,0,0]=3 429 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [0,1,0,0,0,1|2,0,0]=4 432 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.36 N[C@@H](C(=O)O)C1=CC=CN=C1 CNP0515087.2 [0,1,0,0,0,1|2,0,0]=4 434 B11R1.36 N[C@H](C(=O)O)C1=CC=CN=C1 CNP0515087.1 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [0,1,0,0,0,1|2,0,0]=4 436 B11R1.40 CCC(=CC1=CC=CN=C1)C CNP0085320.0 [0,1,0,0,0,1|2,0,0]=4 437 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,1,0,0,0,1|2,0,0]=4 439 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,1,0,0,0,1|2,0,0]=4 441 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,1,0,0,0,1|2,0,0]=4 442 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [0,1,0,0,0,1|2,0,0]=4 443 B11R1.86 CC(=O)NC1=CC=CC=C1Br CNP0084593.0 [0,1,0,0,0,1|2,0,0]=4 444 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.86 CC(=O)NC1=CC=CC=C1Cl CNP0106127.0 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [0,1,0,0,0,1|2,0,0]=4 447 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [0,1,0,0,0,1|2,0,0]=4 449 B11R1.86 CC(=O)OC1=COC=CC1=O CNP0156706.0 [0,1,0,0,0,1|2,0,0]=4 450 B11R1.86 CC1=NC=CN=C1CC(C)C CNP0076943.0 [0,1,0,0,0,1|1,0,1]=4 451 B11R1.157 CC(=CC1=CC(=CC=N1)C)C CNP0513587.0 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.157 CC(=O)NC1=CC=CC(=C1)C CNP0569514.0 [0,1,0,0,0,1|2,0,0]=4 453 B11R1.157 CC(=O)NC1=CC=CC(=C1)Cl CNP0192017.0 [0,1,0,0,0,1|2,0,0]=4 454 B11R1.157 CC(=O)NC1=CC=CC(=C1)N CNP0368887.0 [0,1,0,0,0,1|2,0,0]=4 455 B11R1.157 CC(=O)NC1=CC=CC(=C1)O CNP0605398.0 [0,1,0,0,0,1|2,0,0]=4 456 B11R1.157 CC(=O)NC1=CC=CC(=N1)C CNP0225853.0 [0,1,0,0,0,1|1,0,0]=3 457 B11R1.157 CC(=O)OC1=CC=CC(=C1)C CNP0423566.0 [0,1,0,0,0,1|2,0,0]=4 458 B11R1.157 CC(=O)OC1=CC=CC(=C1)O CNP0341697.0 [0,1,0,0,0,1|2,0,0]=4 459 B11R1.852 COC(=O)C1=CC=CC=CO1 CNP0163197.0 [0,1,0,0,0,1|2,0,0]=4 460 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [0,2,0,0,0,0|2,0,0]=4 461 B11R1.3 CCC1=CN=C(C=N1)C(=O)C CNP0280983.0 [0,2,0,0,0,0|0,0,0]=2 462 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [0,2,0,0,0,0|2,0,0]=4 463 B11R1.3 COC1=CC=C(C=N1)C(=O)O CNP0193366.0 [0,2,0,0,0,0|2,0,0]=4 464 B11R1.3 COC1=CN=C(C=N1)C(=O)C CNP0256640.0 [0,2,0,0,0,0|0,0,0]=2 465 B11R1.3 COC1=CN=C(C=N1)C(C)C CNP0044893.0 [0,2,0,0,0,0|1,0,1]=4 466 B11R1.3 O=C(O)C1=CN=C(C=N1)CO CNP0383390.0 [0,2,0,0,0,0|1,0,0]=3 467 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)C CNP0091143.0 [0,2,0,0,0,0|2,0,0]=4 468 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)O CNP0484144.0 [0,2,0,0,0,0|2,0,0]=4 469 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)C CNP0155281.0 [0,2,0,0,0,0|2,0,0]=4 470 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)O CNP0310121.0 [0,2,0,0,0,0|2,0,0]=4 471 B11R1.21 CC(=O)C1=CC=C(C(=O)O1)C CNP0144436.0 [0,2,0,0,0,0|2,0,0]=4 472 B11R1.21 CC1=CN=C(C=[N+]1[O-])C(=O)O CNP0490875.0 [0,2,0,0,0,0|1,0,1]=4 473 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [0,2,0,0,0,0|2,0,0]=4 475 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [0,2,0,0,0,0|2,0,0]=4 476 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [0,2,0,0,0,0|2,0,0]=4 477 B11R1.22 COC(=O)C1=CC=C(C=C1)N CNP0162858.0 [0,2,0,0,0,0|2,0,0]=4 478 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [0,2,0,0,0,0|2,0,0]=4 479 B11R1.22 COC(=O)C1=COC(=O)C=C1 CNP0038303.0 [0,2,0,0,0,0|2,0,0]=4 480 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br CNP0077206.0 [0,2,0,0,0,0|2,0,0]=4 481 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [0,2,0,0,0,0|2,0,0]=4 482 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [0,2,0,0,0,0|2,0,0]=4 483 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [0,2,0,0,0,0|2,0,0]=4 484 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [0,2,0,0,0,0|2,0,0]=4 485 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CNP0529513.0 [0,2,0,0,0,0|2,0,0]=4 486 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [0,2,0,0,0,0|2,0,0]=4 487 B11R1.166 CC(=O)C1=NC=C(N=C1C)C CNP0361229.0 [0,2,0,0,0,0|0,0,0]=2 488 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Cl CNP0609125.0 [0,2,0,0,0,0|2,0,0]=4 489 B11R1.12 CC=C(C=O)C1=CC=CC=C1 CNP0164159.0 [0,2,0,0,0,0|2,0,0]=4 490 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [0,2,0,0,0,0|2,0,0]=4 491 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [0,2,0,0,0,0|2,0,0]=4 492 B11R1.16 CCOC(=O)C1=CC=CC=N1 CNP0298485.0 [0,2,0,0,0,0|1,0,0]=3 493 B11R1.16 CCOC(=O)C1=CC=CN=C1 CNP0104896.0 [0,2,0,0,0,0|1,0,0]=3 494 B11R1.16 CCO[C@H](C)C1=CN=CC=N1 CNP0113976.1 [0,2,0,0,0,0|0,0,2]=4 495 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [0,2,0,0,0,0|2,0,0]=4 496 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [0,2,0,0,0,0|2,0,0]=4 497 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CNP0039912.0 [0,2,0,0,0,0|2,0,0]=4 498 B11R1.16 O=C(NCO)C1=CC=CN=C1 CNP0259715.0 [0,2,0,0,0,0|1,0,0]=3 499 B11R1.23 CC(=NO)C1=CC(=CC=N1)C CNP0162908.0 [0,2,0,0,0,0|1,0,1]=4 500 B11R1.23 CC(=NO)C1=CC=CC(=N1)C CNP0153650.0 [0,2,0,0,0,0|1,0,1]=4 501 B11R1.23 CNC(=O)C1=CC=CC(=C1)N CNP0065493.0 [0,2,0,0,0,0|2,0,0]=4 502 B11R1.23 COC(=O)C1=CC=CC(=C1)Br CNP0260377.0 [0,2,0,0,0,0|2,0,0]=4 503 B11R1.23 COC(=O)C1=CC=CC(=C1)C CNP0189828.0 [0,2,0,0,0,0|2,0,0]=4 504 B11R1.23 COC(=O)C1=CC=CC(=C1)N CNP0145729.0 [0,2,0,0,0,0|2,0,0]=4 505 B11R1.23 COC(=O)C1=CC=CC(=C1)O CNP0301417.0 [0,2,0,0,0,0|2,0,0]=4 506 B11R1.222 CC1=CC=NC=C1C(=O)NN CNP0243010.0 [0,2,0,0,0,0|2,0,0]=4 507 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [0,2,0,0,0,0|2,0,0]=4 508 B11R1.222 COC(=O)C1=CC=CC=C1I CNP0211185.0 [0,2,0,0,0,0|2,0,0]=4 509 B11R1.222 COC(=O)C1=CC=CC=C1N CNP0163520.0 [0,2,0,0,0,0|2,0,0]=4 510 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [0,2,0,0,0,0|2,0,0]=4 511 B11R1.222 COC(=O)C1=CC=CN=C1C CNP0485999.0 [0,2,0,0,0,0|1,0,0]=3 512 B11R1.222 COC(=O)C1=CN=CC=C1N CNP0157135.0 [0,2,0,0,0,0|1,0,0]=3 513 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [0,2,0,0,0,0|2,0,0]=4 514 B11R1.53 CC(=O)C1=CC=CC=C1NO CNP0493046.0 [0,2,0,0,0,0|2,0,0]=4 515 B11R1.53 CCC1=NC=CC=C1C(=O)N CNP0233596.0 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.53 CCC1=NC=CN=C1C(=O)C CNP0402270.0 [0,2,0,0,0,0|0,0,0]=2 517 B11R1.53 COC1=CC=NC=C1C(=O)O CNP0300933.0 [0,2,0,0,0,0|2,0,0]=4 518 B11R1.53 COC1=NC=CC=C1C(=O)O CNP0479827.0 [0,2,0,0,0,0|2,0,0]=4 519 B11R1.53 COC1=NC=CN=C1C(C)C CNP0108389.0 [0,2,0,0,0,0|1,0,1]=4 520 B11R1.53 CSC1=NC=CN=C1C(C)C CNP0083248.0 [0,2,0,0,0,0|1,0,1]=4 521 B11R1.53 NNC1=NC=CC=C1C(=O)O CNP0076612.0 [0,2,0,0,0,0|2,0,0]=4 522 B11R1.156 CC(=O)C1=C(C=CC=C1O)C CNP0305756.0 [0,2,0,0,0,0|2,0,0]=4 523 B11R1.156 CC(=O)C1=C(C=CC=C1O)O CNP0132108.0 [0,2,0,0,0,0|2,0,0]=4 524 B11R1.156 O=C(O)C1=C(C=CN=C1O)O CNP0335084.0 [0,2,0,0,0,0|2,0,0]=4 525 B11R1.159 CC(=O)C1=CC=CC(=C1O)O CNP0306897.0 [0,2,0,0,0,0|2,0,0]=4 526 B11R1.159 O=C(O)C1=NC=CC(=C1O)O CNP0146283.0 [0,2,0,0,0,0|2,0,0]=4 527 B11R1.167 CC(=O)C1=CC(=CC=C1N)O CNP0207419.0 [0,2,0,0,0,0|2,0,0]=4 528 B11R1.167 CC(=O)C1=CC(=CC=C1O)C CNP0189333.0 [0,2,0,0,0,0|2,0,0]=4 529 B11R1.167 CC(=O)C1=CC(=CC=C1O)O CNP0226762.0 [0,2,0,0,0,0|2,0,0]=4 530 B11R1.167 CC(=O)C1=NC(=CN=C1C)C CNP0205737.0 [0,2,0,0,0,0|0,0,0]=2 531 B11R1.167 O=C(O)C1=NC(=CC=C1Cl)Cl CNP0350104.0 [0,2,0,0,0,0|2,0,0]=4 532 B11R1.74 CC(=O)C1=CC(=CC(=C1)O)O CNP0352952.0 [0,2,0,0,0,0|2,0,0]=4 533 B11R1.266 CC(=O)C1=CC=CC(=C1)C=O CNP0357224.0 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.266 CCC1=CC=CC(=C1)C(=O)C CNP0129791.0 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.266 CCC1=CN=CC(=N1)C(=O)C CNP0374683.0 [0,2,0,0,0,0|0,0,0]=2 536 B11R1.266 COC1=CC=CC(=C1)C(=O)C CNP0402576.0 [0,2,0,0,0,0|2,0,0]=4 537 B11R1.266 COC1=CN=CC(=N1)C(C)C CNP0002553.0 [0,2,0,0,0,0|1,0,1]=4 538 B9R1.13 CC(=O)NC1=NC=CS1 CNP0054817.0 [0,0,1,1,0,0|2,0,0]=4 539 B11R2.10 CC1=CC2=NC=NN=C2O1 CNP0162454.0 [0,0,0,1,0,1|1,0,1]=4 540 B11R2.10 CC1=CC2=NN=CN=C2O1 CNP0388354.0 [0,0,0,1,0,1|1,0,1]=4 541 B11R2.10 CC1=CC2=NOC=NC2=N1 CNP0142415.0 [0,0,0,1,0,1|2,0,0]=4 542 B11R2.10 CC1=NC2=NC=CN=C2O1 CNP0001199.0 [0,0,0,1,0,1|0,0,1]=3 543 B11R2.10 CC1=NC2=NC=COC2=N1 CNP0145883.0 [0,0,0,1,0,1|2,0,0]=4 544 B11R2.10 CC1=NC2=NOC=NC2=C1 CNP0001120.0 [0,0,0,1,0,1|2,0,0]=4 545 B11R2.10 NC1=CC2=NC=CN=C2O1 CNP0090498.0 [0,0,0,1,0,1|1,0,1]=4 546 B11R2.10 O=C1CC2=CC=CC=C2N1 CNP0161017.0 [0,0,0,1,0,1|2,0,0]=4 547 B11R2.10 O=C1CC2=CC=CC=C2O1 CNP0562926.0 [0,0,0,1,0,1|2,0,0]=4 548 B11R2.10 O=C1NC2=CC=CN=C2N1 CNP0001340.0 [0,0,0,1,0,1|2,0,0]=4 549 B11R2.10 O=C1NC2=CC=NC=C2N1 CNP0001335.0 [0,0,0,1,0,1|2,0,0]=4 550 B11R2.363 CC1=CC=C2C(=O)CC2=C1 CNP0317782.0 [0,1,0,1,0,0|2,0,0]=4 551 B11R2.1 CC1=C2N=CC=NC2=NO1 CNP0000955.0 [0,1,0,1,0,0|0,0,1]=3 552 B11R2.1 CC1=C2N=CN=NC2=CO1 CNP0291777.0 [0,1,0,1,0,0|1,0,1]=4 553 B11R2.1 CC1=C2N=CON=C2C=N1 CNP0005724.0 [0,1,0,1,0,0|2,0,0]=4 554 B11R2.1 CC1=C2N=CON=C2N=C1 CNP0001013.0 [0,1,0,1,0,0|2,0,0]=4 555 B11R2.1 CC1=C2N=NC=NC2=CO1 CNP0094851.0 [0,1,0,1,0,0|1,0,1]=4 556 B11R2.1 CC1=C2OC=CN=C2N=N1 CNP0107467.0 [0,1,0,1,0,0|2,0,0]=4 557 B11R2.1 CC1=CN=C2C1=NOC=N2 CNP0000998.0 [0,1,0,1,0,0|2,0,0]=4 558 B11R2.1 CC1=CNC2=CC=CN=C12 CNP0018040.0 [0,1,0,1,0,0|2,0,0]=4 559 B11R2.1 CC1=COC2=NC=NN=C12 CNP0156152.0 [0,1,0,1,0,0|1,0,1]=4 560 B11R2.1 CC1=COC2=NN=CN=C12 CNP0000920.0 [0,1,0,1,0,0|1,0,1]=4 561 B11R2.1 CC1=NC=C2C1=NOC=N2 CNP0349089.0 [0,1,0,1,0,0|2,0,0]=4 562 B11R2.1 CC1=NN=C2C1=NC=CO2 CNP0004591.0 [0,1,0,1,0,0|2,0,0]=4 563 B11R2.1 CC1=NOC2=NC=CN=C12 CNP0004082.0 [0,1,0,1,0,0|0,0,1]=3 564 B11R2.1 CC1C=CC2=NC=CN=C12 CNP0348713.0 [0,1,0,1,0,0|1,0,1]=4 565 B11R2.1 C[C@@H]1CCC2=NC=CN=C12 CNP0291703.1 [0,1,0,1,0,0|1,0,1]=4 566 B11R2.1 NC1=C2N=CC=NC2=CO1 CNP0001001.0 [0,1,0,1,0,0|1,0,1]=4 567 B11R2.1 NC1=COC2=NC=CN=C12 CNP0001032.0 [0,1,0,1,0,0|1,0,1]=4 568 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [0,1,0,1,0,0|2,0,0]=4 569 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [0,1,0,1,0,0|2,0,0]=4 570 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [0,1,0,1,0,0|2,0,0]=4 571 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [0,1,0,1,0,0|2,0,0]=4 572 B11R2.1 O=C1NNC2=CC=CN=C12 CNP0001333.0 [0,1,0,1,0,0|2,0,0]=4 573 B11R2.1 O=C1NNC2=NC=CC=C12 CNP0343378.0 [0,1,0,1,0,0|2,0,0]=4 574 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [0,1,0,1,0,0|2,0,0]=4 575 B11R2.1 OC1=C2N=CC=NC2=CN1 CNP0000942.0 [0,1,0,1,0,0|0,0,2]=4 576 B11R2.54 O=C1C2=CC=CC=C2[C@@H]1Cl CNP0371537.2 [0,1,0,1,0,0|2,0,0]=4 577 B11R2.54 O=C1C2=CC=CC=C2[C@H]1Cl CNP0371537.1 [0,1,0,1,0,0|2,0,0]=4 578 B11R2.468 O=C1CC2=CC=CC(=C12)Br CNP0327870.0 [0,1,0,1,0,0|2,0,0]=4 579 B11R2.468 O=C1CC2=CC=CC(=C12)Cl CNP0193006.0 [0,1,0,1,0,0|2,0,0]=4 580 B11R2.104 CC1=CC=CC2=C1CC2=O CNP0057604.0 [0,1,0,1,0,0|2,0,0]=4 581 B11R2.117 CC1=CC=C2CC(=O)C2=C1 CNP0035023.0 [0,1,0,1,0,0|2,0,0]=4 582 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [1,0,0,0,1,0|1,0,1]=4 583 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [1,0,0,0,1,0|1,0,1]=4 584 B7R1.1 C=CC1=CN=CN1 CNP0518270.0 [1,0,0,0,1,0|0,0,2]=4 585 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,0,0,0,1,0|1,0,1]=4 586 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,0,0,0,1,0|1,0,1]=4 587 B7R1.1 CCC1=COC=C1 CNP0136418.0 [1,0,0,0,1,0|1,0,1]=4 588 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [1,0,0,0,1,0|1,0,1]=4 589 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [1,0,0,0,1,0|1,0,1]=4 590 B7R1.1 COC1=CC=CN1 CNP0098587.0 [1,0,0,0,1,0|1,0,1]=4 591 B7R1.1 COC1=COC=C1 CNP0503708.0 [1,0,0,0,1,0|2,0,0]=4 592 B7R1.1 COC1=NC=CC1 CNP0549754.0 [1,0,0,0,1,0|1,0,1]=4 593 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [1,0,0,0,1,0|2,0,0]=4 594 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [1,0,0,0,1,0|0,0,1]=3 595 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [1,0,0,0,1,0|1,0,0]=3 596 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [1,0,0,0,1,0|1,0,0]=3 597 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [1,0,0,0,1,0|1,0,0]=3 598 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [1,0,0,0,1,0|1,0,0]=3 599 B7R1.1 O=CN1C=CC=C1 CNP0265883.0 [1,0,0,0,1,0|2,0,0]=4 600 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,0,0,0,0,2|2,0,0]=4 601 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,0,0,0,0,2|2,0,0]=4 602 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,0,0,0,0,2|2,0,0]=4 603 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [0,0,0,0,0,2|2,0,0]=4 604 B11R1.91 CC(C)CCC1=CN=CC=N1 CNP0076480.0 [0,0,0,0,0,2|1,0,1]=4 605 B11R1.91 O=C(O)C=CC1=CC=CN=C1 CNP0471683.0 [0,0,0,0,0,2|2,0,0]=4