0 B12R1.77 CCC(=O)C1=CC=CC=C1N=O CNP0029556.0 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.77 CNC1=CC=CC=C1C(=O)OC CNP0130292.0 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.77 COC(=O)C1=CC=CC=C1C=O CNP0436303.0 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.77 COC(=O)C1=CC=CC=C1OC CNP0297770.0 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.77 NNC(=O)C1=CC=CC=C1CO CNP0075383.0 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.41 CCOC1=CC=CC=C1OC CNP0003445.0 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.41 COC1=CC=CC=C1CCO CNP0135812.0 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.53 C=C(C)C1=CC=CC=C1CO CNP0577541.0 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.53 C=C(C)C1=CC=CC=C1OC CNP0134279.0 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.53 CC(=O)C1=CC=CC=C1NO CNP0493046.0 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.53 CCC1=NC=CC=C1C(=O)N CNP0233596.0 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.53 CCC1=NC=CN=C1C(=O)C CNP0402270.0 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.53 CNC1=CC=CC=C1C(=O)N CNP0211327.0 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.53 CNC1=CC=CC=C1C(=O)O CNP0163080.0 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.53 COC1=CC=CC=C1C(=O)O CNP0156098.0 [1,0,0,0,0,0|0,0,0]=1 15 B11R1.53 COC1=CC=CC=C1C(C)C CNP0578061.0 [1,0,0,0,0,0|1,0,1]=3 16 B11R1.53 COC1=CC=CC=C1N(C)C CNP0375184.0 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.53 COC1=CC=NC=C1C(=O)O CNP0300933.0 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.53 COC1=CN=CC=C1C(=O)O CNP0542461.0 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.53 COC1=NC=CC=C1C(=O)O CNP0479827.0 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.53 NC(=O)C1=CC=CC=C1NO CNP0577643.0 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.53 NNC1=NC=CC=C1C(=O)O CNP0076612.0 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.53 O=C(O)C1=CC=CC=C1CO CNP0283123.0 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.53 O=C(O)C1=CC=CC=C1NO CNP0085034.0 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.53 O=CC1=CC=CC=C1C(=O)O CNP0610125.0 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.53 O=NC1=CC=CC=C1C(=O)O CNP0076644.0 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.222 CC1=CC=NC=C1C(=O)NN CNP0243010.0 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.222 CCC(C)C1=CC=CC=C1O CNP0038393.0 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.222 COC(=O)C1=CC=CC=C1I CNP0211185.0 [1,0,0,0,0,0|1,0,0]=2 30 B11R1.222 COC(=O)C1=CC=CC=C1N CNP0163520.0 [1,0,0,0,0,0|1,0,0]=2 31 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [1,0,0,0,0,0|0,0,0]=1 32 B11R1.222 COC(=O)C1=CC=CN=C1C CNP0485999.0 [1,0,0,0,0,0|1,0,0]=2 33 B11R1.222 COC(=O)C1=CN=CC=C1N CNP0157135.0 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.222 NNC(=O)C1=CC=CC=C1Cl CNP0255519.0 [1,0,0,0,0,0|3,0,0]=4 35 B11R1.222 O=C(NO)C1=CC=CC=C1O CNP0106659.0 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [1,0,0,0,0,0|0,0,0]=1 37 B13R1.89 C=C(C)C(=O)C1=CC=CC=C1CO CNP0121239.0 [0,1,0,0,0,0|3,0,0]=4 38 B13R1.92 CCC(NC)C1=CC=CC=C1OC CNP0194355.0 [0,1,0,0,0,0|2,0,1]=4 39 B13R1.107 COC(=O)C1=CC=CC(=C1C=O)O CNP0356488.0 [0,1,0,0,0,0|2,0,0]=3 40 B13R1.107 COC(=O)C1=CC=CC(=C1OC)O CNP0266498.0 [0,1,0,0,0,0|0,0,0]=1 41 B13R1.382 COC(=O)C1=CC=CC=C1NC=O CNP0282276.0 [0,1,0,0,0,0|1,0,1]=3 42 B13R1.464 CCCC(=O)C1=CC=CC=C1OC CNP0514775.0 [0,1,0,0,0,0|1,0,0]=2 43 B13R1.464 CCOC(=O)C1=CC=CC=C1NC CNP0194191.0 [0,1,0,0,0,0|1,0,0]=2 44 B13R1.464 CCOC(=O)C1=CC=CC=C1OC CNP0254680.0 [0,1,0,0,0,0|0,0,0]=1 45 B13R1.464 COC1=CC=CC=C1C(=O)CC#N CNP0489245.0 [0,1,0,0,0,0|1,0,1]=3 46 B13R1.547 COC(=O)C1=CC=CC=C1C(=O)C CNP0490914.0 [0,1,0,0,0,0|1,0,0]=2 47 B13R1.547 COC(=O)C1=CC=CC=C1C(=O)O CNP0084158.0 [0,1,0,0,0,0|2,0,0]=3 48 B13R1.547 COC(=O)C1=CC=CC=C1N(C)C CNP0003237.0 [0,1,0,0,0,0|1,0,0]=2 49 B13R1.547 COC(=O)C1=CC=CN=C1C(=O)O CNP0147962.0 [0,1,0,0,0,0|3,0,0]=4 50 B13R1.547 COC(=O)C1=NC=CC=C1C(=O)O CNP0194907.0 [0,1,0,0,0,0|3,0,0]=4 51 B13R1.2065 COC(=O)C1=CC=C(C=C1OC)O CNP0161854.0 [0,1,0,0,0,0|0,0,0]=1 52 B13R1.2209 COC(=O)C1=CC(=CC=C1OC)O CNP0612004.0 [0,1,0,0,0,0|0,0,0]=1 53 B13R1.2209 COC(=O)C1=C[N+](=CC=C1OC)[O-] CNP0593577.0 [0,1,0,0,0,0|1,0,0]=2 54 B13R1.2357 COC(=O)C1=C(C=CC=C1C=O)O CNP0108141.0 [0,1,0,0,0,0|2,0,0]=3 55 B13R1.2357 COC(=O)C1=C(C=CC=C1OC)O CNP0262782.0 [0,1,0,0,0,0|0,0,0]=1 56 B11R0.40 CCC=CCC=CCC(=O)OC CNP0525214.0 [0,0,1,0,0,0|1,0,2]=4 57 B11R0.40 CCC=CCCC=CC(=O)OC CNP0311960.0 [0,0,1,0,0,0|1,0,2]=4 58 B13R2.32 CC1=COC2=CC=CC=C2C1=O CNP0287052.0 [0,0,0,1,0,0|1,0,1]=3 59 B13R2.32 O=C1C(=COC2=CC=CC=C12)Br CNP0278171.0 [0,0,0,1,0,0|2,0,1]=4 60 B13R2.371 CN1C=CC(=O)C2=CC=CC=C12 CNP0296538.0 [0,0,0,1,0,0|2,0,1]=4 61 B13R2.371 CN1C=NC(=O)C2=CC=CC=C12 CNP0162462.0 [0,0,0,1,0,0|2,0,1]=4 62 B13R2.371 CN1CCC(=N)C2=CC=CC=C12 CNP0559627.0 [0,0,0,1,0,0|3,0,0]=4 63 B13R2.371 O=C1CCC(=O)C2=CC=CC=C12 CNP0436754.0 [0,0,0,1,0,0|3,0,0]=4 64 B13R2.371 O=C1CC[C@@H](C2=CC=CC=C12)O CNP0162052.1 [0,0,0,1,0,0|3,0,0]=4 65 B13R2.371 O=C1CC[C@H](C2=CC=CC=C12)O CNP0162052.2 [0,0,0,1,0,0|3,0,0]=4 66 B13R2.1613 COC1=CC=CC2=CC=CC=C12 CNP0299075.0 [0,0,0,1,0,0|2,0,1]=4 67 B13R2.1613 COC1=CC=NC2=CC=CC=C12 CNP0604679.0 [0,0,0,1,0,0|2,0,1]=4 68 B13R2.1613 COC1=NC=NC2=CC=CC=C12 CNP0260362.0 [0,0,0,1,0,0|2,0,1]=4 69 B13R2.1628 COC1=CC=CC2=C1C(=O)C2=O CNP0189584.0 [0,0,0,1,0,0|2,0,0]=3 70 B13R2.2931 COC1=C[C@@H](C2=CC=CC=C12)C CNP0046972.1 [0,0,0,1,0,0|2,0,0]=3 71 B13R2.2931 COC1=C[C@H](C2=CC=CC=C12)C CNP0046972.2 [0,0,0,1,0,0|2,0,0]=3 72 B13R2.2931 CO[C@@H]1C=C(C2=CC=CC=C12)C CNP0039873.1 [0,0,0,1,0,0|2,0,1]=4 73 B13R2.2931 CO[C@H]1C=C(C2=CC=CC=C12)C CNP0039873.2 [0,0,0,1,0,0|2,0,1]=4 74 B13R2.3085 CC1=C(C(C2=CC=CC=C12)C)C CNP0214533.0 [0,0,0,1,0,0|3,0,0]=4 75 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C12 CNP0558551.0 [0,0,0,1,0,0|3,0,0]=4 76 B13R2.3085 CN1C(=O)C2=CC=CC=C2C1=O CNP0399263.0 [0,0,0,1,0,0|3,0,0]=4 77 B13R2.3085 CN1C(=O)C2=CC=CC=C2[C@@H]1O CNP0068358.2 [0,0,0,1,0,0|3,0,0]=4 78 B13R2.3085 CN1C(=O)C2=CC=CC=C2[C@H]1O CNP0068358.1 [0,0,0,1,0,0|3,0,0]=4 79 B13R1.91 CCC(=O)OC1=CC=CC=C1OC CNP0597322.0 [0,0,0,0,0,1|1,0,0]=2 80 B13R1.91 COC(=O)CC1=CC=CC=C1OC CNP0499525.0 [0,0,0,0,0,1|0,0,0]=1 81 B10R0.71 CC=CC=CC=CC=CCC CNP0259924.0 [1,0,1,0,0,0|2,0,0]=4 82 B10R0.74 CC=CC#CC=CC(=O)OC CNP0382166.0 [1,0,1,0,0,0|0,0,2]=4 83 B10R0.74 CC=CC=CC=CC(=O)OC CNP0127753.0 [1,0,1,0,0,0|0,0,0]=2 84 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [2,0,0,0,0,0|1,0,1]=4 85 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [2,0,0,0,0,0|1,0,1]=4 86 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [2,0,0,0,0,0|1,0,1]=4 88 B10R1.4 ON=CC1=CC=CC=C1O CNP0177435.0 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.20 C=CC1=CC=CC=C1OC CNP0201512.0 [2,0,0,0,0,0|0,0,1]=3 90 B10R1.20 CCC1=CC=CC=C1C=O CNP0565429.0 [2,0,0,0,0,0|1,0,0]=3 91 B10R1.20 CCC1=CC=CC=C1CC CNP0132869.0 [2,0,0,0,0,0|1,0,1]=4 92 B10R1.20 CCC1=CC=CC=C1CO CNP0418111.0 [2,0,0,0,0,0|1,0,1]=4 93 B10R1.20 CCC1=CC=CC=C1OC CNP0246064.0 [2,0,0,0,0,0|0,0,1]=3 94 B10R1.20 CNC1=CC=CC=C1C=O CNP0169354.0 [2,0,0,0,0,0|1,0,0]=3 95 B10R1.20 CNC1=CC=CC=C1CO CNP0310287.0 [2,0,0,0,0,0|1,0,1]=4 96 B10R1.20 COC1=CC=CC=C1C=O CNP0183883.0 [2,0,0,0,0,0|0,0,0]=2 97 B10R1.20 COC1=CC=CC=C1CCl CNP0053789.0 [2,0,0,0,0,0|1,0,1]=4 98 B10R1.20 COC1=CC=CC=C1CN CNP0294075.0 [2,0,0,0,0,0|1,0,1]=4 99 B10R1.20 COC1=CC=CC=C1CO CNP0047350.0 [2,0,0,0,0,0|0,0,1]=3 100 B10R1.20 COC1=CC=CC=C1OC CNP0141393.0 [2,0,0,0,0,0|0,0,0]=2 101 B10R1.20 O=CC1=CC=CC=C1C=O CNP0478589.0 [2,0,0,0,0,0|2,0,0]=4 102 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [2,0,0,0,0,0|1,0,0]=3 103 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [2,0,0,0,0,0|0,0,0]=2 104 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [2,0,0,0,0,0|1,0,0]=3 105 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [2,0,0,0,0,0|0,0,0]=2 106 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [2,0,0,0,0,0|1,0,0]=3 107 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [2,0,0,0,0,0|1,0,0]=3 108 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [2,0,0,0,0,0|1,0,0]=3 109 B10R1.61 CC(=O)C1=NC=CN=C1C CNP0253592.0 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [2,0,0,0,0,0|1,0,1]=4 111 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [2,0,0,0,0,0|1,0,0]=3 112 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [2,0,0,0,0,0|0,0,0]=2 113 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [2,0,0,0,0,0|1,0,1]=4 114 B10R1.61 CC1=CC=NC=C1C(=O)N CNP0051605.0 [2,0,0,0,0,0|2,0,0]=4 115 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [2,0,0,0,0,0|1,0,0]=3 116 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [2,0,0,0,0,0|1,0,0]=3 117 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [2,0,0,0,0,0|2,0,0]=4 118 B10R1.61 CN1CC=CC=C1C(=O)O CNP0610846.0 [2,0,0,0,0,0|1,0,1]=4 119 B10R1.61 CN1[CH]C=CC=C1C(=O)O CNP0498568.0 [2,0,0,0,0,0|1,0,1]=4 120 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] CNP0503158.0 [2,0,0,0,0,0|1,0,1]=4 121 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [2,0,0,0,0,0|2,0,0]=4 122 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [2,0,0,0,0,0|2,0,0]=4 123 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [2,0,0,0,0,0|1,0,0]=3 124 B10R1.61 NC(=O)C1=CN=CC=C1O CNP0172133.0 [2,0,0,0,0,0|2,0,0]=4 125 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [2,0,0,0,0,0|1,0,0]=3 126 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [2,0,0,0,0,0|1,0,0]=3 127 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [2,0,0,0,0,0|0,0,0]=2 128 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [2,0,0,0,0,0|0,1,0]=3 129 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [2,0,0,0,0,0|0,0,1]=3 130 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [2,0,0,0,0,0|0,0,1]=3 131 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] CNP0602908.0 [2,0,0,0,0,0|1,0,1]=4 132 B10R1.61 O=C(O)C1=CC=NC=C1Br CNP0504363.0 [2,0,0,0,0,0|2,0,0]=4 133 B10R1.61 O=C(O)C1=CC=NC=C1O CNP0519260.0 [2,0,0,0,0,0|1,0,0]=3 134 B10R1.61 O=C(O)C1=CN=CC=C1O CNP0530780.0 [2,0,0,0,0,0|1,0,0]=3 135 B10R1.61 O=C(O)C1=CNC=CC1=O CNP0248624.0 [2,0,0,0,0,0|1,0,1]=4 136 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [2,0,0,0,0,0|1,0,0]=3 137 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [2,0,0,0,0,0|0,0,1]=3 138 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [2,0,0,0,0,0|0,0,1]=3 139 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [2,0,0,0,0,0|0,0,1]=3 140 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [2,0,0,0,0,0|0,1,1]=4 141 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [2,0,0,0,0,0|1,0,1]=4 142 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [2,0,0,0,0,0|1,0,0]=3 143 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [2,0,0,0,0,0|1,0,1]=4 144 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [2,0,0,0,0,0|1,0,1]=4 145 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [2,0,0,0,0,0|1,0,0]=3 147 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [2,0,0,0,0,0|2,0,0]=4 148 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [2,0,0,0,0,0|1,0,0]=3 149 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [2,0,0,0,0,0|2,0,0]=4 150 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [2,0,0,0,0,0|0,0,0]=2 151 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [2,0,0,0,0,0|1,0,0]=3 152 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [2,0,0,0,0,0|1,0,0]=3 153 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [2,0,0,0,0,0|1,0,1]=4 155 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [2,0,0,0,0,0|0,1,0]=3 156 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [2,0,0,0,0,0|2,0,0]=4 162 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [2,0,0,0,0,0|2,0,0]=4 163 B12R0.248 CCC=CC=CC=CCC(=O)OC CNP0205483.0 [0,1,1,0,0,0|1,0,0]=3 164 B12R0.248 CCC=CCC=CC=CC(=O)OC CNP0018410.0 [0,1,1,0,0,0|1,0,0]=3 165 B12R0.248 CCCC=CC=CC=CC(=O)OC CNP0248466.0 [0,1,1,0,0,0|1,0,0]=3 166 B12R1.75 COC1=CC=CC=C1CC(=O)C CNP0594983.0 [1,1,0,0,0,0|1,0,1]=4 167 B12R1.75 COC1=CC=CC=C1NC(=O)C CNP0070988.0 [1,1,0,0,0,0|2,0,0]=4 168 B12R1.75 COC1=CC=CC=C1OC(=O)C CNP0214774.0 [1,1,0,0,0,0|2,0,0]=4 169 B12R1.121 COC1=CC=CC=C1C=CC#N CNP0211278.0 [1,1,0,0,0,0|1,0,1]=4 170 B12R1.121 COC1=CC=CC=C1C=CC=O CNP0147071.0 [1,1,0,0,0,0|1,0,1]=4 171 B12R1.542 CC=CC1=CC=CC(=C1OC)O CNP0531803.0 [1,1,0,0,0,0|1,0,0]=3 172 B12R1.46 CNC1=CC=C(C=C1C(=O)O)O CNP0196868.0 [1,1,0,0,0,0|1,0,0]=3 173 B12R1.46 COC1=CC=C(C=C1C(=O)O)O CNP0241896.0 [1,1,0,0,0,0|0,0,0]=2 174 B12R1.46 COC1=CC=C(C=C1C(C)C)C CNP0102635.0 [1,1,0,0,0,0|1,0,1]=4 175 B12R1.57 C=C(C)C1=CC=C(C=C1OC)C CNP0333087.0 [1,1,0,0,0,0|1,0,0]=3 176 B12R1.57 COC1=CC(=CC=C1C(=O)C)C CNP0305290.0 [1,1,0,0,0,0|0,0,0]=2 177 B12R1.57 COC1=CC(=CC=C1C(=O)C)O CNP0146399.0 [1,1,0,0,0,0|0,0,0]=2 178 B12R1.57 COC1=CC(=CC=C1C(=O)O)O CNP0174648.0 [1,1,0,0,0,0|0,0,0]=2 179 B12R1.57 COC1=CC(=CC=C1C(C)C)C CNP0280563.0 [1,1,0,0,0,0|1,0,1]=4 180 B12R1.57 COC1=CC(=CC=C1[N+](=O)[O-])N CNP0537552.0 [1,1,0,0,0,0|1,0,1]=4 181 B12R1.76 COC1=CC=CC=C1C(C)(C)O CNP0497584.0 [1,1,0,0,0,0|0,0,2]=4 182 B12R1.76 COC1=CC=CC=C1P(=O)(O)O CNP0463190.0 [1,1,0,0,0,0|1,0,0]=3 183 B12R1.87 COC1=C(C=CC=C1C(=O)O)O CNP0226066.0 [1,1,0,0,0,0|0,0,0]=2 184 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O CNP0538877.0 [1,1,0,0,0,0|1,0,0]=3 185 B12R1.261 CC(C)C1=CC=CC=C1C(=O)O CNP0438693.0 [1,1,0,0,0,0|1,0,0]=3 186 B12R1.261 CN(C)C1=CC=CC=C1C(=O)O CNP0033044.0 [1,1,0,0,0,0|1,0,0]=3 187 B12R1.261 O=C(O)C1=CC=CC=C1C(=O)O CNP0324589.0 [1,1,0,0,0,0|2,0,0]=4 188 B12R1.261 [18O]=C([18OH])C1=CC=CC=C1C(=[18O])[18OH] CNP0530779.0 [1,1,0,0,0,0|2,0,0]=4 189 B12R1.437 COC1=CC=CC(=C1C(=O)C)C CNP0111015.0 [1,1,0,0,0,0|0,0,0]=2 190 B12R1.437 COC1=CC=CC(=C1C(=O)C)O CNP0394493.0 [1,1,0,0,0,0|0,0,0]=2 191 B12R1.437 COC1=CC=CC(=C1C(=O)O)C CNP0198561.0 [1,1,0,0,0,0|0,0,0]=2 192 B12R1.437 COC1=CC=CC(=C1C(=O)O)O CNP0192684.0 [1,1,0,0,0,0|0,0,0]=2 193 B12R1.437 O=CC1=CC=CC(=C1C(=O)O)O CNP0397661.0 [1,1,0,0,0,0|2,0,0]=4 194 B12R1.24 COC(=O)C1=CC=CC(=C1O)O CNP0158183.0 [1,1,0,0,0,0|0,0,0]=2 195 B12R1.124 CC(=C(N)C1=CC=CC=C1O)N CNP0018282.0 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.308 CC1=CC=CC=C1C(=O)OC=O CNP0077020.0 [1,1,0,0,0,0|0,0,1]=3 197 B12R1.308 CCOC(=O)C1=CC=CC=C1N CNP0071170.0 [1,1,0,0,0,0|1,0,0]=3 198 B12R1.308 CCOC(=O)C1=CC=CC=C1O CNP0169358.0 [1,1,0,0,0,0|0,0,0]=2 199 B12R1.308 CCOC(=O)C1=CN=CC=C1C CNP0414274.0 [1,1,0,0,0,0|1,0,0]=3 200 B12R1.308 CCOC(=O)C1=CN=CC=C1N CNP0188449.0 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.308 CCO[P@H](=O)C1=CC=CC=C1O CNP0454157.1 [1,1,0,0,0,0|1,0,0]=3 202 B12R1.308 NCCC(=O)C1=CC=CC=C1N CNP0017946.0 [1,1,0,0,0,0|2,0,0]=4 203 B12R1.354 COC(=O)C1=CC(=CC=C1N)O CNP0205300.0 [1,1,0,0,0,0|1,0,0]=3 204 B12R1.354 COC(=O)C1=CC(=CC=C1O)O CNP0221274.0 [1,1,0,0,0,0|0,0,0]=2 205 B12R1.1703 CCC(=O)C1=CC=C(C=C1C)C CNP0099963.0 [1,1,0,0,0,0|1,0,0]=3 206 B12R1.1703 COC(=O)C1=CC=C(C=C1C)O CNP0298795.0 [1,1,0,0,0,0|0,0,0]=2 207 B12R1.1703 COC(=O)C1=CC=C(C=C1N)Cl CNP0168201.0 [1,1,0,0,0,0|1,0,0]=3 208 B12R1.1703 COC(=O)C1=CC=C(C=C1O)N CNP0026548.0 [1,1,0,0,0,0|0,0,0]=2 209 B12R1.1703 COC(=O)C1=CC=C(C=C1O)O CNP0316033.0 [1,1,0,0,0,0|0,0,0]=2 210 B12R1.1703 O=C(CCl)C1=CC=C(C=C1O)O CNP0037880.0 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.3441 COC(=O)C1=C(C=CC=C1O)C CNP0214787.0 [1,1,0,0,0,0|0,0,0]=2 212 B12R1.3441 COC(=O)C1=C(C=CC=C1O)O CNP0175842.0 [1,1,0,0,0,0|0,0,0]=2 213 B12R1.743 COC(=O)C1=CNC(=C1OC)O CNP0166968.0 [0,1,0,0,1,0|1,0,0]=3 214 B14R1.95 COC(=O)[C@@H](N)C1=CC=CC=C1OC CNP0548437.1 [0,1,0,0,0,1|0,0,0]=2 215 B14R1.95 COC(=O)[C@H](N)C1=CC=CC=C1OC CNP0548437.2 [0,1,0,0,0,1|0,0,0]=2 216 B14R1.3302 COC(=O)CC1=CC=CC=C1[N+](=O)[O-] CNP0570940.0 [0,1,0,0,0,1|2,0,0]=4 217 B14R1.3302 COC(=O)OC1=CC=CC=C1C(=O)O CNP0449711.0 [0,1,0,0,0,1|2,0,0]=4 218 B14R1.2171 CNC1=C(C=CC=C1C(=O)OC)OC CNP0317555.0 [0,2,0,0,0,0|1,0,0]=3 219 B14R1.2171 COC(=O)C1=CC=CC(=C1C=O)OC CNP0159202.0 [0,2,0,0,0,0|2,0,0]=4 220 B14R1.12435 COC(=O)C1=CC=C(C(=C1OC)O)O CNP0189644.0 [0,2,0,0,0,0|0,0,0]=2 221 B14R1.12530 COC(=O)C1=CC(=CC(=C1OC)Br)Br CNP0322214.0 [0,2,0,0,0,0|0,0,0]=2 222 B14R1.263 CCNC1=CC=CC=C1C(=O)OCC CNP0086210.0 [0,2,0,0,0,0|1,0,0]=3 223 B14R1.263 CCOC(=O)C1=CC=CC=C1N=C=S CNP0246446.0 [0,2,0,0,0,0|1,0,1]=4 224 B14R1.744 COC(=O)C1=CC=CC=C1NC(=O)C CNP0302125.0 [0,2,0,0,0,0|1,0,0]=3 225 B14R1.744 COC(=O)C1=CC=CC=C1NC(=O)N CNP0187156.0 [0,2,0,0,0,0|1,0,1]=4 226 B14R1.744 COC(=O)C1=CC=CC=C1OC(=O)C CNP0300463.0 [0,2,0,0,0,0|0,0,0]=2 227 B14R1.746 CCC(=O)C1=CC=CC=C1C(=O)OC CNP0480113.0 [0,2,0,0,0,0|1,0,0]=3 228 B14R1.746 CNC(=O)C1=CC=CC=C1C(=O)OC CNP0129994.0 [0,2,0,0,0,0|1,0,0]=3 229 B14R1.746 COC(=O)C1=CC=CC=C1C(=O)OC CNP0145942.0 [0,2,0,0,0,0|0,0,0]=2 230 B14R1.746 COC(=O)C1=CC=CN=C1C(=O)OC CNP0297095.0 [0,2,0,0,0,0|1,0,0]=3 231 B14R1.789 CC[Hg]SC1=CC=CC=C1C(=O)O[Na] CNP0528234.0 [0,2,0,0,0,0|1,1,0]=4 232 B14R1.623 CCOC(=O)C1=CC=CC=C1C(=O)O CNP0017360.0 [0,2,0,0,0,0|2,0,0]=4 233 B14R1.939 COC1=CC=CC=C1C(=O)OCCCl CNP0036387.0 [0,2,0,0,0,0|0,0,0]=2 234 B14R1.7276 CCCC(=O)C1=C(C=CC=C1OC)O CNP0108905.0 [0,2,0,0,0,0|1,0,0]=3 235 B14R1.7276 CCOC(=O)C1=C(C=CC=C1OC)C CNP0371666.0 [0,2,0,0,0,0|0,0,0]=2 236 B14R1.346 COC(=O)C1=C(C=C(C=C1OC)C)C CNP0025524.0 [0,2,0,0,0,0|0,0,0]=2 237 B14R1.346 COC(=O)C1=C(C=C(C=C1OC)O)C CNP0212718.0 [0,2,0,0,0,0|0,0,0]=2 238 B14R1.346 COC1=CC(=CC(=C1C(=O)SC)C)O CNP0506174.0 [0,2,0,0,0,0|0,1,0]=3 239 B14R1.2334 CCC(=O)C1=CC=C(C=C1OC)OC CNP0099330.0 [0,2,0,0,0,0|1,0,0]=3 240 B14R1.2334 COC(=O)C1=CC=C(C=C1OC)OC CNP0104050.0 [0,2,0,0,0,0|0,0,0]=2 241 B14R1.2167 COC(=O)C1=C(C=CC=C1OC)C=O CNP0164668.0 [0,2,0,0,0,0|0,0,0]=2 242 B14R1.2167 COC(=O)C1=C(C=CC=C1OC)OC CNP0198027.0 [0,2,0,0,0,0|0,0,0]=2 243 B12R1.34 C=C(C(=O)OC)C1=CC=CC=C1 CNP0601325.0 [0,0,1,1,0,0|1,0,1]=4 244 B12R1.367 COC(=O)C1=CN(C(=O)C=C1)C CNP0334743.0 [0,0,1,1,0,0|2,0,0]=4 245 B12R1.435 C=CC1=CN=CC(=C1)C(=O)OC CNP0167440.0 [0,0,1,1,0,0|1,0,1]=4 246 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,0,1,1,0,0|1,0,1]=4 247 B12R1.27 COC(=O)C=CC1=CC=CN=C1 CNP0057404.0 [0,0,1,1,0,0|1,0,1]=4 248 B12R1.58 COC1=CC(=CC(=C1)OC)C=O CNP0220405.0 [0,0,1,1,0,0|2,0,0]=4 249 B12R2.1 COC1=CCC2=CC=CC=C12 CNP0054465.0 [1,0,0,1,0,0|1,0,1]=4 250 B12R2.315 COC1=CC=CC2=C1C=CN2 CNP0505949.0 [1,0,0,1,0,0|2,0,0]=4 251 B12R2.315 COC1=CC=CC2=C1COO2 CNP0298183.0 [1,0,0,1,0,0|1,0,1]=4 252 B12R2.1806 COC1=CC=CC2=C1C(=O)C2 CNP0108126.0 [1,0,0,1,0,0|0,0,0]=2 253 B12R2.1806 N#CC1=CC=CC2=C1C(=O)C2 CNP0032434.0 [1,0,0,1,0,0|2,0,0]=4 254 B12R2.2028 C[C@@H]1CC(=O)C2=CC=CC=C12 CNP0276144.2 [1,0,0,1,0,0|1,0,0]=3 255 B12R2.2028 C[C@@H]1CC(=O)C2=CC=NC=C12 CNP0213370.1 [1,0,0,1,0,0|2,0,0]=4 256 B12R2.2028 C[C@H]1CC(=O)C2=CC=CC=C12 CNP0276144.1 [1,0,0,1,0,0|1,0,0]=3 257 B12R2.2028 C[C@H]1CC(=O)C2=CC=NC=C12 CNP0213370.2 [1,0,0,1,0,0|2,0,0]=4 258 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 CNP0332462.0 [1,0,0,1,0,0|2,0,0]=4 259 B12R2.2028 O=C1OC(C2=CC=CC=C12)O CNP0079973.0 [1,0,0,1,0,0|2,0,0]=4 260 B12R2.2028 O=C1O[C@@H](C2=CC=CC=C12)Cl CNP0223454.2 [1,0,0,1,0,0|2,0,0]=4 261 B12R2.2028 O=C1O[C@H](C2=CC=CC=C12)Cl CNP0223454.1 [1,0,0,1,0,0|2,0,0]=4 262 B12R2.203 CC1=CC=CC2=C1C(=O)OC2 CNP0056851.0 [1,0,0,1,0,0|0,0,0]=2 263 B12R2.203 O=C1CCC2=CC=CC(=C12)O CNP0573066.0 [1,0,0,1,0,0|1,0,0]=3 264 B12R2.203 O=C1OCC2=CC=CC(=C12)O CNP0160114.0 [1,0,0,1,0,0|0,0,0]=2 265 B12R2.1094 CC1=CC=CC2=C1C(=O)C2=O CNP0039191.0 [1,0,0,1,0,0|2,0,0]=4 266 B12R2.1541 COC(=O)C12C=CC=CC1O2 CNP0242156.0 [1,0,0,1,0,0|0,0,2]=4 267 B14R2.95 COC(=O)C1=CNC2=CC=CC=C12 CNP0153897.0 [0,0,0,1,0,1|1,0,1]=4 268 B14R2.11684 COC1=CC=CC2=C1OC(=O)C=C2 CNP0331966.0 [0,0,0,1,0,1|1,0,1]=4 269 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2N1C CNP0288264.0 [0,1,0,1,0,0|2,0,0]=4 270 B14R2.7724 CC1=NC(=O)C2=CC=CC=C2N1C CNP0366049.0 [0,1,0,1,0,0|2,0,0]=4 271 B14R2.11690 COC1=CC=CC2=C1C(=C(N2)C)C CNP0485054.0 [0,1,0,1,0,0|2,0,0]=4 272 B14R2.11690 COC1=CC=CC2=C1C(=O)C(=O)N2 CNP0203099.0 [0,1,0,1,0,0|2,0,0]=4 273 B14R2.1131 COC1=CC=[N+](C2=CC=CC=C12)C CNP0492868.0 [0,1,0,1,0,0|2,0,0]=4 274 B14R2.1131 COC1=CNC(=O)C2=CC=CC=C12 CNP0087306.0 [0,1,0,1,0,0|1,0,1]=4 275 B14R2.11689 CCC1=CNC2=CC=CC(=C12)OC CNP0425321.0 [0,1,0,1,0,0|2,0,0]=4 276 B14R2.11689 COC1=CC=CC2=C1C(=CN2)C=O CNP0359843.0 [0,1,0,1,0,0|2,0,0]=4 277 B14R2.3822 COC1=C(C=CC2=C1C(=O)OC2)O CNP0259149.0 [0,1,0,1,0,0|0,0,0]=2 278 B14R2.34648 COC(=O)C1=CC=CC2=C1C(=O)C2 CNP0032570.0 [0,1,0,1,0,0|1,0,0]=3 279 B14R2.1146 COC1=CC(=NC2=CC=CC=C12)C CNP0292426.0 [0,1,0,1,0,0|2,0,0]=4 280 B14R2.1146 COC1=CC(=O)OC2=CC=CC=C12 CNP0022166.0 [0,1,0,1,0,0|1,0,1]=4 281 B14R2.7166 CCOC1=CC=CC2=C1C(=O)C2=O CNP0388117.0 [0,1,0,1,0,0|2,0,0]=4 282 B14R2.19587 CCC1=CN(C2=CC=CC=C12)OC CNP0424509.0 [0,1,0,1,0,0|2,0,0]=4 283 B14R2.11691 COC1=CC=CC2=C1C(=O)O[C@@H]2O CNP0087021.1 [0,1,0,1,0,0|0,0,0]=2 284 B14R2.11691 COC1=CC=CC2=C1C(=O)O[C@H]2O CNP0087021.2 [0,1,0,1,0,0|0,0,0]=2 285 B14R2.1948 COC1=CC(=CC2=C1C(=O)OC2)O CNP0188075.0 [0,1,0,1,0,0|0,0,0]=2 286 B14R2.8751 CC1=CC=C2C(=C1)C(=O)CC[C@@H]2C CNP0298180.1 [0,1,0,1,0,0|2,0,0]=4 287 B14R2.8751 C[C@@H]1COC(=O)C2=CC(=CC=C12)O CNP0139332.1 [0,1,0,1,0,0|1,0,0]=3 288 B14R2.29369 O=C1C2=CC=C(C=C2OC[C@@H]1O)O CNP0344272.1 [0,1,0,1,0,0|2,0,0]=4 289 B14R2.4513 CC1=CC=C2OC=C(C(=O)C2=C1)C CNP0172933.0 [0,1,0,1,0,0|1,0,1]=4 290 B10R1.39 CCN1C=CC=C1C(=O)C CNP0359899.0 [1,0,0,0,1,0|2,0,0]=4 291 B10R1.39 COC1=C(OC=C1)C(=O)C CNP0427618.0 [1,0,0,0,1,0|1,0,0]=3 292 B10R1.39 CON1C=CC=C1C(=O)N CNP0430862.0 [1,0,0,0,1,0|2,0,0]=4 293 B10R1.149 CCC(=O)C1=CC=CN1C CNP0151134.0 [1,0,0,0,1,0|2,0,0]=4 294 B10R1.149 COC(=O)C1=C(C=CO1)C CNP0325643.0 [1,0,0,0,1,0|1,0,0]=3 295 B10R1.149 COC(=O)C1=CC=NN1C CNP0027219.0 [1,0,0,0,1,0|2,0,0]=4 296 B10R1.149 COC(=O)N1N=CC=C1C CNP0206322.0 [1,0,0,0,1,0|2,0,0]=4 297 B14R1.863 COC(=O)C=CC1=CC=CC=C1OC CNP0229234.0 [0,0,0,0,0,2|0,0,0]=2 298 B14R1.863 COC(=O)CCC1=CC=CC=C1OC CNP0311057.0 [0,0,0,0,0,2|0,0,0]=2