0 B12R1.270 CCOC1=CC(=CC=C1O)C=O CNP0155747.0 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.182 CCCC1=CC(=CC=C1C)C CNP0284162.0 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.182 CCCC1=CC(=O)C=CC1=O CNP0227837.0 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.182 CCOC1=CC(=CC=C1C)C CNP0288250.0 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.182 CCOC1=CC(=O)C=CC1=O CNP0125200.0 [1,0,0,0,0,0|0,0,1]=2 5 B11R1.182 COCC1=CC(=CC=C1O)O CNP0113294.0 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.280 C=CC1=CC=C(C(=C1)OC)O CNP0357819.0 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.280 CCC1=CC(=NO)C=CC1=O CNP0188606.0 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.280 CCC1=CC=C(C(=C1)CC)C CNP0134602.0 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.280 CCC1=CC=C(C(=C1)OC)C CNP0257657.0 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.280 CCC1=CC=C(C(=C1)OC)O CNP0401902.0 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.280 COC1=CC(=CC=C1Cl)C=O CNP0146169.0 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.280 COC1=CC(=CC=C1O)C#N CNP0252520.0 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.280 COC1=CC(=CC=C1O)C=O CNP0270199.0 [1,0,0,0,0,0|0,0,0]=1 14 B11R1.280 COC1=CC(=CC=C1O)CN CNP0052909.0 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.280 COC1=CC(=CC=C1O)CO CNP0268270.0 [1,0,0,0,0,0|0,0,2]=3 16 B11R1.280 COC1=CC(=CC=C1O)OO CNP0508207.0 [1,0,0,0,0,0|1,0,1]=3 17 B11R1.280 COC1=CC=C(C(=C1)OC)Br CNP0018842.0 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.280 COC1=CC=C(C(=C1)OC)O CNP0124974.0 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.280 O=CC1=C/C(=N/O)/[C@H](C=C1)O CNP0566241.1 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.280 O=CC1=CC(=NO)C(C=C1)O CNP0535658.0 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.280 O=CC1=CC=C(C(=C1)C=O)O CNP0277701.0 [1,0,0,0,0,0|1,0,1]=3 22 B11R1.280 O=CC1=CC=C(C(=C1)N=O)O CNP0283266.0 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.280 O=CC1=CC=C(C(=C1)N=O)[O-] CNP0482903.0 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.280 O=CC1=CC=C(C(=C1)N=O)[O-] CNP0565531.0 [1,0,0,0,0,0|2,0,1]=4 25 B13R1.354 CC(=O)C1=CC=C(C(=C1)CCO)O CNP0348573.0 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.354 CC=CC1=CC(=CC=C1O)C(=O)O CNP0289208.0 [0,1,0,0,0,0|1,0,1]=3 27 B13R1.354 CCOC1=CC(=CC=C1C)C(C)C CNP0242147.0 [0,1,0,0,0,0|2,0,1]=4 28 B13R1.354 CCOC1=CC(=CC=C1O)C(=O)O CNP0076092.0 [0,1,0,0,0,0|0,0,0]=1 29 B13R1.355 CCOC1=CC(=CC=C1OC)C=O CNP0380632.0 [0,1,0,0,0,0|0,0,0]=1 30 B13R1.384 C=CCC1=CC=C(C(=C1)OCC)O CNP0242687.0 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.384 CC=CC1=CC=C(C(=C1)OCC)O CNP0328675.0 [0,1,0,0,0,0|1,0,0]=2 32 B13R1.384 CCOC1=CC(=CC=C1O)COC CNP0002699.0 [0,1,0,0,0,0|0,0,2]=3 33 B10R0.83 COC(=O)C(=CC=CC=O)O CNP0452921.0 [1,0,1,0,0,0|1,0,0]=3 34 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [2,0,0,0,0,0|1,0,0]=3 37 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [2,0,0,0,0,0|1,0,1]=4 41 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [2,0,0,0,0,0|1,0,1]=4 42 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [2,0,0,0,0,0|1,0,1]=4 44 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [2,0,0,0,0,0|0,0,1]=3 45 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [2,0,0,0,0,0|1,0,1]=4 46 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [2,0,0,0,0,0|1,0,1]=4 47 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [2,0,0,0,0,0|0,0,1]=3 48 B10R1.30 CCC1=CC(=CC=C1O)O CNP0246876.0 [2,0,0,0,0,0|0,0,1]=3 49 B10R1.30 CCC1=CC(=O)C=CC1=O CNP0391524.0 [2,0,0,0,0,0|0,0,1]=3 50 B10R1.30 CCC1=NC(=CC=C1O)C CNP0422716.0 [2,0,0,0,0,0|1,0,1]=4 51 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [2,0,0,0,0,0|1,0,1]=4 52 B10R1.30 COC1=CC(=CC=C1N)O CNP0304667.0 [2,0,0,0,0,0|1,0,1]=4 53 B10R1.30 COC1=CC(=CC=C1O)C CNP0264266.0 [2,0,0,0,0,0|0,0,1]=3 54 B10R1.30 COC1=CC(=CC=C1O)O CNP0204166.0 [2,0,0,0,0,0|0,0,1]=3 55 B10R1.30 COC1=CC(=N)C=CC1=O CNP0141181.0 [2,0,0,0,0,0|1,0,1]=4 56 B10R1.30 COC1=CC(=O)C=CC1=O CNP0221542.0 [2,0,0,0,0,0|0,0,1]=3 57 B10R1.30 O=C1C=C(C(=CO1)O)CO CNP0349514.0 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.30 O=C1C=CC(=O)C(=C1)CO CNP0212904.0 [2,0,0,0,0,0|1,0,1]=4 59 B10R1.30 OCC1=CC(=CC=C1O)O CNP0290995.0 [2,0,0,0,0,0|1,0,1]=4 60 B10R1.172 CCC1=CC=CC(=C1)C#N CNP0142603.0 [2,0,0,0,0,0|1,0,1]=4 61 B10R1.172 CCC1=CC=CC(=C1)C=O CNP0154951.0 [2,0,0,0,0,0|0,0,0]=2 62 B10R1.172 CCC1=CC=CC(=C1)CC CNP0328428.0 [2,0,0,0,0,0|1,0,1]=4 63 B10R1.172 CCC1=CC=CC(=C1)CO CNP0495646.0 [2,0,0,0,0,0|0,0,2]=4 64 B10R1.172 COC1=CC=CC(=C1)C#N CNP0199473.0 [2,0,0,0,0,0|1,0,1]=4 65 B10R1.172 COC1=CC=CC(=C1)C=O CNP0283218.0 [2,0,0,0,0,0|0,0,0]=2 66 B10R1.172 COC1=CC=CC(=C1)CO CNP0345399.0 [2,0,0,0,0,0|0,0,2]=4 67 B10R1.172 COC1=CC=CC(=C1)OC CNP0283758.0 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.172 O=CC1=CC=CC(=C1)C=O CNP0522103.0 [2,0,0,0,0,0|1,0,1]=4 69 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.176 C=CC1=CC=C(C(=C1)O)O CNP0218096.0 [2,0,0,0,0,0|1,0,0]=3 71 B10R1.176 CC1=CC(=CC=C1N)N=O CNP0042604.0 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.176 CC1=CC(=CC=C1O)C=O CNP0018890.0 [2,0,0,0,0,0|0,0,0]=2 73 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [2,0,0,0,0,0|1,0,1]=4 74 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [2,0,0,0,0,0|1,0,1]=4 75 B10R1.176 COC1=CC=C(C(=C1)C)O CNP0175131.0 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.176 N#CC1=CC=C(C(=C1)O)O CNP0155663.0 [2,0,0,0,0,0|1,0,1]=4 78 B10R1.176 NC1=CC(=CC=C1O)C=O CNP0343365.0 [2,0,0,0,0,0|1,0,0]=3 79 B10R1.176 NCC1=CC=C(C(=C1)O)O CNP0353669.0 [2,0,0,0,0,0|1,0,1]=4 80 B10R1.176 O=CC1=CC=C(C(=C1)Br)O CNP0212461.0 [2,0,0,0,0,0|1,0,0]=3 81 B10R1.176 O=CC1=CC=C(C(=C1)Cl)Cl CNP0066778.0 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.176 O=CC1=CC=C(C(=C1)O)O CNP0203672.0 [2,0,0,0,0,0|0,0,0]=2 83 B10R1.176 OCC1=CC=C(C(=C1)O)O CNP0262481.0 [2,0,0,0,0,0|0,0,2]=4 84 B12R1.40 CCOC1=CC(=O)C=C(C1=O)C CNP0216915.0 [1,1,0,0,0,0|0,0,1]=3 85 B12R1.354 CC[C@@H](O)C1=CC(=CC=C1O)C CNP0224091.1 [1,1,0,0,0,0|1,0,1]=4 86 B12R1.354 CC[C@H](O)C1=CC(=CC=C1O)C CNP0224091.2 [1,1,0,0,0,0|1,0,1]=4 87 B12R1.1123 CCOC1=CC(=O)C(=CC1=O)C CNP0330602.0 [1,1,0,0,0,0|0,0,1]=3 88 B12R1.279 CCOC1=CC=CC(=C1)C(=O)O CNP0286822.0 [1,1,0,0,0,0|0,0,0]=2 89 B12R1.435 O=CC1=CC=CC(=C1)[C@@H](O)CO CNP0192523.1 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)C CNP0254908.0 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)O CNP0208361.0 [1,1,0,0,0,0|1,0,0]=3 92 B12R1.56 CC(=O)C1=CC=C(C(=C1)C=O)O CNP0387842.0 [1,1,0,0,0,0|1,0,1]=4 93 B12R1.56 CCC1=CC(=CC=C1O)C(=O)O CNP0121187.0 [1,1,0,0,0,0|0,0,0]=2 94 B12R1.56 COC1=CC(=CC=C1C)C(=O)C CNP0017950.0 [1,1,0,0,0,0|1,0,0]=3 95 B12R1.56 COC1=CC(=CC=C1C)C(=O)O CNP0497367.0 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.56 COC1=CC(=CC=C1N)C(=O)O CNP0018066.0 [1,1,0,0,0,0|1,0,0]=3 97 B12R1.56 COC1=CC(=CC=C1O)C(=O)C CNP0219031.0 [1,1,0,0,0,0|0,0,0]=2 98 B12R1.56 COC1=CC(=CC=C1O)C(=O)N CNP0200127.0 [1,1,0,0,0,0|0,0,0]=2 99 B12R1.56 COC1=CC(=CC=C1O)C(=O)O CNP0122021.0 [1,1,0,0,0,0|0,0,0]=2 100 B12R1.56 COC1=CC(=CC=C1O)C(=O)[O-] CNP0564199.0 [1,1,0,0,0,0|0,0,0]=2 101 B12R1.56 COC1=CC(=CC=C1O)C(C)O CNP0582143.0 [1,1,0,0,0,0|0,0,2]=4 102 B12R1.56 COC1=CC(=CC=C1[O-])C(=O)O CNP0511962.0 [1,1,0,0,0,0|0,0,1]=3 103 B12R1.56 NC(=O)C1=CC=C(C(=C1)N=O)O CNP0314124.0 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.56 O=NC1=CC(=CC=C1O)C(=O)O CNP0511255.0 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.78 C=CC1=CC=C(C(=C1)OC)OC CNP0198714.0 [1,1,0,0,0,0|1,0,0]=3 106 B12R1.78 CCC1=CC=C(C(=C1)OC)OC CNP0104859.0 [1,1,0,0,0,0|1,0,1]=4 107 B12R1.78 COC1=CC=C(C(=C1)OC)OC CNP0327068.0 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.78 COC1=CC=C(C=C1C=O)C=O CNP0350650.0 [1,1,0,0,0,0|1,0,1]=4 109 B12R1.78 COC1=CC=C(C=C1OC)C=O CNP0216130.0 [1,1,0,0,0,0|0,0,0]=2 110 B12R1.78 COC1=CC=C(C=C1OC)CCl CNP0479327.0 [1,1,0,0,0,0|1,0,1]=4 111 B12R1.78 COC1=CC=C(C=C1OC)CO CNP0202849.0 [1,1,0,0,0,0|0,0,2]=4 112 B12R1.300 CCC1=CC(=C(C(=C1)OC)O)C CNP0518382.0 [1,1,0,0,0,0|1,0,1]=4 113 B12R1.300 COC1=CC(=CC(=C1O)Br)C=O CNP0317155.0 [1,1,0,0,0,0|0,0,0]=2 114 B12R1.300 COC1=CC(=CC(=C1O)I)C=O CNP0268105.0 [1,1,0,0,0,0|0,0,0]=2 115 B12R1.300 COC1=CC(=CC(=C1O)O)C=O CNP0377931.0 [1,1,0,0,0,0|0,0,0]=2 116 B12R1.449 COC1=CC(=C(C=C1O)Br)C=O CNP0403804.0 [1,1,0,0,0,0|0,0,0]=2 117 B12R1.449 COC1=CC(=C(C=C1O)Cl)C=O CNP0154420.0 [1,1,0,0,0,0|0,0,0]=2 118 B12R1.449 O=CC1=CC(=C(C=C1O)O)C=O CNP0039377.0 [1,1,0,0,0,0|1,0,1]=4 119 B12R1.453 O=CC1=CC=C(C(=C1)C(=O)O)O CNP0575784.0 [1,1,0,0,0,0|1,0,1]=4 120 B12R1.453 O=CC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0571042.0 [1,1,0,0,0,0|2,0,0]=4 121 B14R1.676 CC(=O)NC1=CC(=CC=C1O)C(=O)O CNP0291450.0 [0,2,0,0,0,0|1,0,1]=4 122 B14R1.441 CCOC1=CC(=CC=C1OC)C(=O)O CNP0076181.0 [0,2,0,0,0,0|0,0,0]=2 123 B14R1.5293 O=C(O)C1=CC(=C(C(=C1)CCO)O)O CNP0329481.0 [0,2,0,0,0,0|2,0,0]=4 124 B14R1.5236 CCOC1=CC=C(C=C1OCC)C=O CNP0507785.0 [0,2,0,0,0,0|0,0,0]=2 125 B14R1.6787 CC=CC1=CC=C(C(=C1)OCC)OC CNP0002645.0 [0,2,0,0,0,0|1,0,0]=3 126 B14R1.2335 C=C(C)C#CC1=CC(=CC=C1O)C=O CNP0183408.0 [0,2,0,0,0,0|1,0,1]=4 127 B14R1.2335 CC(=CCC1=CC(=CC=C1O)C=O)C CNP0091089.0 [0,2,0,0,0,0|1,0,1]=4 128 B12R1.312 CCOC(=O)C1=CC=C(N1)C=O CNP0157838.0 [0,0,1,1,0,0|2,0,0]=4 129 B12R2.221 CC1=CC=C(C2=C1CCC2)O CNP0240372.0 [1,0,0,1,0,0|1,0,1]=4 130 B12R2.44 C=CC1=CC=C2OCOC2=C1 CNP0179510.0 [1,0,0,1,0,0|2,0,0]=4 131 B12R2.44 O=CC1=CC=C2C=COC2=C1 CNP0203335.0 [1,0,0,1,0,0|0,0,2]=4 132 B12R2.44 O=CC1=CC=C2CCCC2=C1 CNP0186232.0 [1,0,0,1,0,0|1,0,0]=3 133 B12R2.44 O=CC1=CC=C2OCOC2=C1 CNP0179491.0 [1,0,0,1,0,0|1,0,0]=3 134 B12R2.44 O=[14CH]C1=CC=C2OCOC2=C1 CNP0519930.0 [1,0,0,1,0,0|1,0,0]=3 135 B12R2.315 O=CC1=CC=CC2=C1CCC2 CNP0274252.0 [1,0,0,1,0,0|1,0,0]=3 136 B14R2.1726 CC1=CC2=C(C=CC(=C2O1)O)C=O CNP0601145.0 [0,1,0,1,0,0|0,0,1]=3 137 B14R2.601 CC(=O)C1=CC=C2O[C@@H](CC2=C1)C CNP0250736.1 [0,1,0,1,0,0|1,0,0]=3 138 B14R2.601 CC(=O)C1=CC=C2O[C@H](CC2=C1)C CNP0250736.2 [0,1,0,1,0,0|1,0,0]=3 139 B14R2.781 CC(=O)C1=CC=C2CCCCC2=C1 CNP0274645.0 [0,1,0,1,0,0|2,0,0]=4 140 B14R2.6400 C=CCC1=CC=C2OC(OC2=C1)O CNP0550445.0 [0,1,0,1,0,0|2,0,0]=4 141 B14R2.3304 COC1=CC2=CC(=CC=C2O1)C=O CNP0508637.0 [0,1,0,1,0,0|1,0,1]=4 142 B14R2.11806 O=CC1=CC(=C(C2=C1CCC2)O)O CNP0212939.0 [0,1,0,1,0,0|1,0,0]=3 143 B12R1.114 CCOC1=CC=C(C=C1O)CO CNP0221615.0 [0,0,0,0,1,1|0,0,2]=4