0 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.1 CC1=CC=C(C=C1)C=NO CNP0256781.0 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.1 CC1=CC=C(C=C1)SC#N CNP0533747.0 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.1 CCCC1=CN=C(C=N1)C CNP0002574.0 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.1 CCCN1C=CC(=N)C=C1 CNP0126576.0 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.1 N#CCC1=CC=C(C=C1)O CNP0232327.0 [0,0,0,0,0,0|0,0,2]=2 16 B10R1.1 N#CNC1=CC=C(C=C1)Cl CNP0231069.0 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.1 N#CSC1=CC=C(C=C1)O CNP0157204.0 [0,0,0,0,0,0|1,0,2]=3 18 B10R1.1 NC1=CC=C(C=C1)C=NO CNP0185919.0 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.1 NC=CC1=CC=C(C=C1)O CNP0527921.0 [0,0,0,0,0,0|0,0,2]=2 20 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [0,0,0,0,0,0|0,0,0]=0 21 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [0,0,0,0,0,0|1,0,1]=2 22 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [0,0,0,0,0,0|1,0,0]=1 23 B10R1.1 ON=CC1=CC=C(C=C1)Br CNP0046844.0 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.1 ON=CC1=CC=C(C=C1)Cl CNP0036786.0 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.1 ON=CC1=CC=C(C=C1)O CNP0057124.0 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.1 [2H]/C=C\C1=CC=C(C=C1)O CNP0496441.0 [0,0,0,0,0,0|1,0,2]=3 27 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [1,0,0,0,0,0|1,0,2]=4 28 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [1,0,0,0,0,0|0,0,2]=3 29 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [1,0,0,0,0,0|1,0,2]=4 30 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [1,0,0,0,0,0|0,0,0]=1 38 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.1 CCN1C=CC(=N)C=C1 CNP0467750.0 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.1 CCN1C=CC(=[N])C=C1 CNP0554973.0 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [1,0,0,0,0,0|1,0,0]=2 47 B9R1.1 N#CC1=CC=C(C=C1)N CNP0174653.0 [1,0,0,0,0,0|1,0,2]=4 48 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [1,0,0,0,0,0|0,0,2]=3 49 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [1,0,0,0,0,0|1,0,1]=3 50 B9R1.1 N#[N+]C1=CC=C(C=C1)[O-] CNP0612185.0 [1,0,0,0,0,0|1,0,2]=4 51 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [1,0,0,0,0,0|0,0,0]=1 53 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [1,0,0,0,0,0|1,0,1]=3 54 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.1 [N-]=[N+]=C1C=CC(=O)C=C1 CNP0540787.0 [1,0,0,0,0,0|1,0,2]=4 59 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,0,0,0,0,0|1,0,1]=3 60 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,0,0,0,0,0|1,0,2]=4 63 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [1,0,0,0,0,0|0,0,2]=3 76 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [1,0,0,0,0,0|1,0,2]=4 77 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [1,0,0,0,0,0|0,0,2]=3 78 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [1,0,0,0,0,0|0,0,0]=1 79 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [1,0,0,0,0,0|1,0,0]=2 80 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,0,0,0,0,0|1,0,1]=3 81 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [1,0,0,0,0,0|1,0,0]=2 85 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [1,0,0,0,0,0|1,0,0]=2 89 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [1,0,0,0,0,0|3,0,0]=4 90 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [0,1,0,0,0,0|1,0,0]=2 91 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [0,1,0,0,0,0|1,0,1]=3 92 B11R1.1 CCCCC1=CC=C(C=C1)N CNP0586525.0 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.1 CCCCC1=CC=C(N=C1)C CNP0596182.0 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.1 CCCCN1C=CC(=N)C=C1 CNP0059426.0 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.1 CCCOC1=CC=C(C=C1)Br CNP0287758.0 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.1 CCCOC1=CC=C(C=C1)N CNP0514752.0 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.1 CCCOC1=CC=C(C=C1)O CNP0079194.0 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.1 CNCCC1=CC=C(C=C1)O CNP0279481.0 [0,1,0,0,0,0|0,0,0]=1 101 B11R1.1 ClCCOC1=CC=C(C=C1)Br CNP0422395.0 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.1 NCCCC1=CC=C(C=C1)O CNP0268831.0 [0,1,0,0,0,0|0,0,0]=1 103 B11R1.1 O=CC=CC1=CC=C(C=C1)O CNP0344624.0 [0,1,0,0,0,0|1,0,2]=4 104 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [0,1,0,0,0,0|1,0,0]=2 105 B11R1.1 OC1=CC=C(C=C1)CN=C=S CNP0343490.0 [0,1,0,0,0,0|1,0,1]=3 106 B11R1.1 OCC=CC1=CC=C(C=C1)O CNP0243646.0 [0,1,0,0,0,0|1,0,1]=3 107 B11R1.1 OCCCC1=CC=C(C=C1)O CNP0319332.0 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.1 OCCOC1=CC=C(C=C1)Cl CNP0569339.0 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.1 ON=CCC1=CC=C(C=C1)O CNP0165556.0 [0,1,0,0,0,0|0,0,2]=3 110 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [0,1,0,0,0,0|1,0,1]=3 111 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [0,1,0,0,0,0|1,0,1]=3 113 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [0,1,0,0,0,0|1,0,0]=2 115 B11R1.20 CC(N)CC1=CC=C(C=C1)I CNP0499686.0 [0,1,0,0,0,0|1,0,0]=2 116 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [0,1,0,0,0,0|0,0,0]=1 119 B11R1.20 N=C(N)NC1=CC=C(C=C1)Cl CNP0139549.0 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.20 NC(=O)CC1=CC=C(C=C1)O CNP0490937.0 [0,1,0,0,0,0|0,0,1]=2 121 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl CNP0310141.0 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.20 NC(=O)NC1=CC=C(C=C1)O CNP0160153.0 [0,1,0,0,0,0|1,0,1]=3 123 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br CNP0055788.0 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [0,1,0,0,0,0|1,0,1]=3 127 B11R1.20 O=C([O-])CC1=CC=C(C=C1)O CNP0582582.0 [0,1,0,0,0,0|1,0,1]=3 128 B11R1.22 C=C[C@@H](O)C1=CC=C(C=C1)O CNP0280373.2 [0,1,0,0,0,0|1,0,1]=3 129 B11R1.22 C=C[C@H](O)C1=CC=C(C=C1)O CNP0280373.1 [0,1,0,0,0,0|1,0,1]=3 130 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.22 CC1=CC=C(C=C1)[C@H](C)CO CNP0229536.1 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [0,1,0,0,0,0|1,0,1]=3 134 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.22 N#C[C@@H](O)C1=CC=C(C=C1)O CNP0245965.1 [0,1,0,0,0,0|0,0,2]=3 140 B11R1.22 N#C[C@H](O)C1=CC=C(C=C1)O CNP0245965.2 [0,1,0,0,0,0|0,0,2]=3 141 B11R1.22 NC[C@@H](O)C1=CC=C(C=C1)O CNP0139359.1 [0,1,0,0,0,0|0,0,0]=1 142 B11R1.22 NC[C@H](O)C1=CC=C(C=C1)O CNP0139359.2 [0,1,0,0,0,0|0,0,0]=1 143 B11R1.22 NNC(=O)C1=CC=C(C=C1)Cl CNP0071039.0 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.22 NNC(=O)C1=CC=C(C=C1)O CNP0382573.0 [0,1,0,0,0,0|1,0,1]=3 145 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br CNP0077206.0 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [0,1,0,0,0,0|1,0,1]=3 147 B11R1.22 O=CC(=O)C1=CC=C(C=C1)O CNP0271271.0 [0,1,0,0,0,0|1,0,2]=4 148 B11R1.22 OC[C@@H](O)C1=CC=C(C=C1)O CNP0398619.1 [0,1,0,0,0,0|1,0,0]=2 149 B11R1.22 OC[C@H](O)C1=CC=C(C=C1)O CNP0398619.2 [0,1,0,0,0,0|1,0,0]=2 150 B11R1.81 C=CCC1=CC=C(C=C1O)O CNP0329689.0 [0,1,0,0,0,0|1,0,1]=3 151 B11R1.81 CC=CC1=CC=C(C=C1O)O CNP0287059.0 [0,1,0,0,0,0|1,0,2]=4 152 B11R1.81 CCCC1=CC=C(C=C1C)C CNP0112480.0 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.81 CCCC1=CC=C(C=C1O)C CNP0518001.0 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.81 CCOC1=CC=C(C=C1Br)Br CNP0017924.0 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.81 CNCC1=CC=C(C=C1O)Cl CNP0445122.0 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.81 N#CCC1=CC=C(C=C1O)O CNP0137512.0 [0,1,0,0,0,0|0,0,2]=3 157 B11R1.81 OCCC1=CC=C(C=C1O)O CNP0163682.0 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.83 C=CCC1=CC=C(C=C1)OC CNP0191217.0 [0,1,0,0,0,0|1,0,1]=3 159 B11R1.83 CC=CC1=CC=C(C=C1)OC CNP0402035.0 [0,1,0,0,0,0|1,0,2]=4 160 B11R1.83 CCCC1=CC=C(C=C1)OC CNP0255936.0 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.83 CCOC1=CC=C(C=C1)C=O CNP0125855.0 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.83 CCOC1=CC=C(C=C1)CO CNP0278439.0 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.83 CNCC1=CC=C(C=C1)OC CNP0239380.0 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.83 COC1=CC=C(C=C1)C=NN CNP0396597.0 [0,1,0,0,0,0|1,0,1]=3 165 B11R1.83 COC1=CC=C(C=C1)C=NO CNP0150314.0 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.83 COC1=CC=C(C=C1)CC=O CNP0207724.0 [0,1,0,0,0,0|1,0,1]=3 167 B11R1.83 COC1=CC=C(C=C1)CCN CNP0137581.0 [0,1,0,0,0,0|0,0,0]=1 168 B11R1.83 COC1=CC=C(C=C1)CCO CNP0178762.0 [0,1,0,0,0,0|1,0,0]=2 169 B11R1.83 COCC1=CC=C(C=C1)OC CNP0142961.0 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.83 NOC1=CC=C(C=C1)CC=O CNP0170203.0 [0,1,0,0,0,0|1,0,1]=3 171 B11R1.192 C=CCC1=CC=C(C(=C1)C)O CNP0539736.0 [0,1,0,0,0,0|1,0,1]=3 172 B11R1.192 C=CCC1=CC=C(C(=C1)O)O CNP0278721.0 [0,1,0,0,0,0|1,0,1]=3 173 B11R1.192 CC=CC1=CC=C(C(=C1)O)O CNP0370461.0 [0,1,0,0,0,0|1,0,2]=4 174 B11R1.192 CCCC1=CC=C(C(=C1)C)C CNP0295102.0 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.192 COCC1=CC=C(C(=C1)Br)O CNP0105261.0 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.192 COCC1=CC=C(C(=C1)O)O CNP0408139.0 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.192 N#CCC1=CC=C(C(=C1)Br)O CNP0142450.0 [0,1,0,0,0,0|0,0,2]=3 178 B11R1.192 NCCC1=CC(=O)C(=O)C=C1 CNP0384373.0 [0,1,0,0,0,0|0,0,1]=2 179 B11R1.192 NCCC1=CC=C(C(=C1)Br)O CNP0107317.0 [0,1,0,0,0,0|0,0,0]=1 180 B11R1.192 NCCC1=CC=C(C(=C1)Cl)O CNP0576198.0 [0,1,0,0,0,0|0,0,0]=1 181 B11R1.192 NCCC1=CC=C(C(=C1)I)O CNP0147812.0 [0,1,0,0,0,0|0,0,0]=1 182 B11R1.192 NCCC1=CC=C(C(=C1)O)O CNP0254743.0 [0,1,0,0,0,0|0,0,0]=1 183 B11R1.192 O=CCC1=CC=C(C(=C1)O)O CNP0123574.0 [0,1,0,0,0,0|1,0,1]=3 184 B11R1.192 OC=CC1=CC=C(C(=C1)O)O CNP0157779.0 [0,1,0,0,0,0|1,0,2]=4 185 B11R1.192 OCCC1=CC=C(C(=C1)Cl)O CNP0294538.0 [0,1,0,0,0,0|1,0,0]=2 186 B11R1.192 OCCC1=CC=C(C(=C1)O)O CNP0275287.0 [0,1,0,0,0,0|1,0,0]=2 187 B11R1.192 ON=CC1=CC=C(C(=C1)O)O CNP0372159.0 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.1234 O=C1C=CC(C=C1)(O)CCO CNP0271310.0 [0,1,0,0,0,0|1,0,2]=4 189 B11R2.34 BrC1=CC=C(C=C1)C2CC2 CNP0510546.0 [0,0,0,1,0,0|2,0,0]=3 190 B11R2.36 BrC1=CC=C2CC=CC2=C1 CNP0185507.0 [0,0,0,1,0,0|2,0,1]=4 191 B11R2.36 CC1=CC=C2C=CNC2=C1 CNP0156708.0 [0,0,0,1,0,0|1,0,2]=4 192 B11R2.36 CC1=CC=C2CCCC2=C1 CNP0170611.0 [0,0,0,1,0,0|2,0,0]=3 193 B11R2.36 CC1=CC=C2CCCC2=N1 CNP0269261.0 [0,0,0,1,0,0|3,0,0]=4 194 B11R2.36 CC1=CC=C2N=CNC2=C1 CNP0512184.0 [0,0,0,1,0,0|2,0,1]=4 195 B11R2.36 N=C1C=CC2=NONC2=C1 CNP0242803.0 [0,0,0,1,0,0|3,0,0]=4 196 B11R2.36 O=C1C=CC2=NNNC2=C1 CNP0358329.0 [0,0,0,1,0,0|2,0,1]=4 197 B11R2.36 OC1=CC2=C(C=N1)N=CN2 CNP0013570.0 [0,0,0,1,0,0|2,0,1]=4 198 B11R2.36 OC1=CC=C2C=COC2=C1 CNP0263236.0 [0,0,0,1,0,0|1,0,2]=4 199 B11R2.36 OC1=CC=C2CC=CC2=C1 CNP0259723.0 [0,0,0,1,0,0|1,0,1]=3 200 B11R2.36 OC1=CC=C2CCCC2=C1 CNP0188722.0 [0,0,0,1,0,0|1,0,0]=2 201 B11R2.36 OC1=CC=C2NC=CC2=C1 CNP0421176.0 [0,0,0,1,0,0|2,0,1]=4 202 B11R2.36 OC1=CC=C2NC=NC2=C1 CNP0083825.0 [0,0,0,1,0,0|1,0,2]=4 203 B11R2.36 OC1=CC=C2NCCC2=C1 CNP0290349.0 [0,0,0,1,0,0|2,0,0]=3 204 B11R2.36 OC1=CC=C2NN=NC2=C1 CNP0361868.0 [0,0,0,1,0,0|2,0,1]=4 205 B11R2.36 OC1=CC=C2OC=CC2=C1 CNP0360936.0 [0,0,0,1,0,0|2,0,1]=4 206 B11R2.36 OC1=CC=C2OCCC2=C1 CNP0337793.0 [0,0,0,1,0,0|2,0,0]=3 207 B11R2.36 OC1=CC=C2OCOC2=C1 CNP0223104.0 [0,0,0,1,0,0|2,0,0]=3 208 B11R2.117 CC1=CC=C2CC(=O)C2=C1 CNP0035023.0 [0,0,0,1,0,0|2,0,1]=4 209 B9R1.7 CN1C=NC(=C1)CCN CNP0415799.0 [0,0,0,0,1,0|3,0,0]=4 210 B9R1.7 NCCC1=CN=C(N1)F CNP0610560.0 [0,0,0,0,1,0|3,0,0]=4 211 B9R1.7 NCCN1C=CC(=O)O1 CNP0169742.0 [0,0,0,0,1,0|2,0,1]=4 212 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [1,0,1,0,0,0|2,0,0]=4 213 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [1,0,1,0,0,0|0,0,2]=4 214 B8R0.6 C=C[C@@H](O)/C=C/CCC CNP0182495.1 [1,0,1,0,0,0|0,0,2]=4 215 B8R0.6 C=C[C@@H](O)C/C=C/CC CNP0227768.1 [1,0,1,0,0,0|0,0,2]=4 216 B8R0.6 C=C[C@@H](O)C/C=C\CC CNP0227768.2 [1,0,1,0,0,0|0,0,2]=4 217 B8R0.6 C=C[C@H](O)C/C=C/CC CNP0227768.4 [1,0,1,0,0,0|0,0,2]=4 218 B8R0.6 C=C[C@H](O)C/C=C\CC CNP0227768.3 [1,0,1,0,0,0|0,0,2]=4 219 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [2,0,0,0,0,0|0,0,2]=4 220 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|0,0,2]=4 221 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|0,0,0]=2 222 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [2,0,0,0,0,0|1,0,0]=3 223 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [2,0,0,0,0,0|1,0,0]=3 224 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [2,0,0,0,0,0|2,0,0]=4 225 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [2,0,0,0,0,0|1,0,0]=3 226 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|1,0,0]=3 227 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|1,0,0]=3 228 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [2,0,0,0,0,0|2,0,0]=4 229 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [2,0,0,0,0,0|2,0,0]=4 230 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [2,0,0,0,0,0|1,0,1]=4 231 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|1,0,0]=3 232 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|1,0,0]=3 233 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [2,0,0,0,0,0|0,0,2]=4 234 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|0,0,0]=2 235 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [2,0,0,0,0,0|1,0,0]=3 236 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [2,0,0,0,0,0|1,0,0]=3 237 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|1,0,0]=3 238 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|1,0,1]=4 239 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|2,0,0]=4 240 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|1,0,0]=3 241 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [2,0,0,0,0,0|2,0,0]=4 242 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|1,0,1]=4 244 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|1,0,0]=3 245 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [2,0,0,0,0,0|2,0,0]=4 246 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [2,0,0,0,0,0|2,0,0]=4 247 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|1,0,0]=3 248 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|0,0,1]=3 249 B8R1.3 BrC1=CC=C(C=C1)Br CNP0468033.0 [2,0,0,0,0,0|2,0,0]=4 250 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [2,0,0,0,0,0|0,0,2]=4 251 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [2,0,0,0,0,0|1,0,0]=3 252 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [2,0,0,0,0,0|1,0,0]=3 253 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [2,0,0,0,0,0|1,0,0]=3 254 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [2,0,0,0,0,0|1,0,0]=3 255 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [2,0,0,0,0,0|0,0,0]=2 256 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [2,0,0,0,0,0|0,1,0]=3 257 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [2,0,0,0,0,0|1,0,0]=3 259 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [2,0,0,0,0,0|1,0,0]=3 262 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [2,0,0,0,0,0|2,0,0]=4 263 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [2,0,0,0,0,0|1,0,1]=4 264 B8R1.3 CN1C=CC(=N)C=C1 CNP0407521.0 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.3 ClC1=CC=C(C=C1)Cl CNP0341270.0 [2,0,0,0,0,0|2,0,0]=4 266 B8R1.3 NC1=CC=C(C=C1)Br CNP0044742.0 [2,0,0,0,0,0|1,0,0]=3 267 B8R1.3 NC1=CC=C(C=C1)I CNP0290133.0 [2,0,0,0,0,0|1,0,0]=3 268 B8R1.3 NC1=CC=C(C=C1)N CNP0208924.0 [2,0,0,0,0,0|1,0,0]=3 269 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [2,0,0,0,0,0|0,0,0]=2 270 B8R1.3 NC1=CC=C(C=N1)Br CNP0213494.0 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.3 NC1=CC=C(C=N1)Cl CNP0022545.0 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.3 NC1=CC=C(C=N1)I CNP0047532.0 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.3 O=C1C=CC(=CN1)O CNP0491283.0 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [2,0,0,0,0,0|1,0,1]=4 275 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [2,0,0,0,0,0|1,0,0]=3 276 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [2,0,0,0,0,0|1,0,0]=3 277 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [2,0,0,0,0,0|1,0,0]=3 278 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [2,0,0,0,0,0|1,0,0]=3 279 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [2,0,0,0,0,0|1,0,0]=3 280 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [2,0,0,0,0,0|2,0,0]=4 281 B10R1.3 BrCC1=CC=C(C=C1)CBr CNP0025281.0 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.3 C=CC1=CC=C(C=C1)CC CNP0084147.0 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.3 C=CC1=CC=C(C=C1)CO CNP0018712.0 [1,1,0,0,0,0|0,0,2]=4 284 B10R1.3 C=CC1=CC=C(C=C1)OC CNP0327301.0 [1,1,0,0,0,0|0,0,2]=4 285 B10R1.3 CCC1=CC=C(C=C1)C#N CNP0223506.0 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.3 CCC1=CC=C(C=C1)C=O CNP0279142.0 [1,1,0,0,0,0|0,0,1]=3 287 B10R1.3 CCC1=CC=C(C=C1)CC CNP0158802.0 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.3 CCC1=CC=C(C=C1)OC CNP0330277.0 [1,1,0,0,0,0|0,0,0]=2 289 B10R1.3 CNC1=CC=C(C=C1)C=O CNP0246789.0 [1,1,0,0,0,0|1,0,1]=4 290 B10R1.3 COC1=CC=C(C=C1)C#N CNP0311472.0 [1,1,0,0,0,0|0,0,2]=4 291 B10R1.3 COC1=CC=C(C=C1)C=O CNP0234469.0 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.3 COC1=CC=C(C=C1)C=S CNP0185667.0 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.3 COC1=CC=C(C=C1)CN CNP0143724.0 [1,1,0,0,0,0|0,0,0]=2 294 B10R1.3 COC1=CC=C(C=C1)CO CNP0301946.0 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.3 COC1=CC=C(C=C1)OC CNP0161668.0 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.3 N#[N+]C1=CC=C(C=C1)CO CNP0355335.0 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.3 O=CC1=CC=C(C=C1)CBr CNP0064464.0 [1,1,0,0,0,0|1,0,1]=4 298 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [1,1,0,0,0,0|1,0,1]=4 301 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [1,1,0,0,0,0|1,0,1]=4 303 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [1,1,0,0,0,0|0,0,1]=3 304 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [1,1,0,0,0,0|1,0,0]=3 305 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [1,1,0,0,0,0|0,0,0]=2 306 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [1,1,0,0,0,0|0,0,0]=2 307 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [1,1,0,0,0,0|1,0,1]=4 308 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.13 CC1=CC=C(C=N1)[C@H](C)N CNP0243226.1 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [1,1,0,0,0,0|0,0,0]=2 314 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [1,1,0,0,0,0|0,0,0]=2 315 B10R1.13 N=C(N)C1=CC=C(C=C1)N CNP0095026.0 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [1,1,0,0,0,0|0,0,1]=3 317 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [1,1,0,0,0,0|1,0,1]=4 318 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [1,1,0,0,0,0|1,0,1]=4 319 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.25 C=CC1=CC=C(C=C1O)O CNP0155671.0 [1,1,0,0,0,0|0,0,2]=4 321 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [1,1,0,0,0,0|1,0,0]=3 324 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [1,1,0,0,0,0|0,0,0]=2 326 B10R1.25 CCC1=CN=C(N=C1O)O CNP0514605.0 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.25 COC1=CC=C(C=C1Br)Br CNP0018124.0 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.25 COC1=CC=C(C=C1I)I CNP0051717.0 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.25 COC1=CC=C(C=C1N)C CNP0028982.0 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [1,1,0,0,0,0|2,0,0]=4 334 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.25 N#CC1=CC=C(C=C1O)O CNP0293189.0 [1,1,0,0,0,0|0,0,2]=4 336 B10R1.25 O=CC1=CC=C(C=C1O)O CNP0382408.0 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.25 OCC1=CC=C(C=C1Cl)Cl CNP0569884.0 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.176 C=CC1=CC=C(C(=C1)O)O CNP0218096.0 [1,1,0,0,0,0|0,0,2]=4 339 B10R1.176 CC1=CC(=CC=C1O)C=O CNP0018890.0 [1,1,0,0,0,0|1,0,1]=4 340 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [1,1,0,0,0,0|1,0,0]=3 342 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [1,1,0,0,0,0|0,0,0]=2 343 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [1,1,0,0,0,0|0,0,0]=2 345 B10R1.176 CCC1=CC=C(C(=N1)C)C CNP0105764.0 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.176 COC1=CC=C(C(=C1)C)Br CNP0334567.0 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.176 COC1=CC=C(C(=C1)C)Cl CNP0187648.0 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.176 COC1=CC=C(C(=C1)C)O CNP0175131.0 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.176 COC1=CC=C(C(=C1)Cl)Cl CNP0369428.0 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.176 COC1=CC=C(C(=C1)N)O CNP0323578.0 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.176 N#CC1=CC=C(C(=C1)O)O CNP0155663.0 [1,1,0,0,0,0|0,0,2]=4 353 B10R1.176 NC1=CC(=CC=C1O)C=O CNP0343365.0 [1,1,0,0,0,0|1,0,1]=4 354 B10R1.176 NCC1=CC=C(C(=C1)O)O CNP0353669.0 [1,1,0,0,0,0|0,0,0]=2 355 B10R1.176 O=C1C=C(OC=C1O)CO CNP0328434.0 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.176 O=CC1=CC=C(C(=C1)Br)O CNP0212461.0 [1,1,0,0,0,0|1,0,1]=4 357 B10R1.176 O=CC1=CC=C(C(=C1)O)O CNP0203672.0 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.176 OCC1=CC=C(C(=C1)Br)O CNP0161139.0 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.176 OCC1=CC=C(C(=C1)O)O CNP0262481.0 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [1,1,0,0,0,0|1,0,1]=4 362 B10R1.4 CC1=CC=CC=C1CC#N CNP0033758.0 [1,1,0,0,0,0|0,0,2]=4 363 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [1,1,0,0,0,0|1,0,0]=3 365 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.4 N#CCC1=CC=CC=C1O CNP0229755.0 [1,1,0,0,0,0|0,0,2]=4 369 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [1,1,0,0,0,0|0,0,0]=2 370 B10R1.4 NNC=C1C=CC=CC1=O CNP0076151.0 [1,1,0,0,0,0|1,0,1]=4 371 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.4 [O-][N+]1=CC=CC=C1CCO CNP0558293.0 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.10 CC1=CC=CC(=C1)CC#N CNP0583461.0 [1,1,0,0,0,0|0,0,2]=4 374 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [1,1,0,0,0,0|1,0,0]=3 375 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [1,1,0,0,0,0|1,0,0]=3 376 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.10 NCCC1=CC=CC(=C1)O CNP0290010.0 [1,1,0,0,0,0|0,0,0]=2 380 B10R1.10 NNCC1=CC=CC(=C1)O CNP0599464.0 [1,1,0,0,0,0|1,0,0]=3 381 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [1,1,0,0,0,0|1,0,0]=3 382 B10R1.15 C#CC(O)C1=CC=CC=C1 CNP0086091.0 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [1,1,0,0,0,0|2,0,0]=4 392 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [1,1,0,0,0,0|2,0,0]=4 393 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [1,1,0,0,0,0|0,0,2]=4 394 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [1,1,0,0,0,0|1,0,0]=3 395 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [1,1,0,0,0,0|0,0,2]=4 397 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 CNP0193863.2 [1,1,0,0,0,0|0,0,2]=4 398 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 CNP0193863.1 [1,1,0,0,0,0|0,0,2]=4 399 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [1,1,0,0,0,0|0,0,1]=3 400 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [1,1,0,0,0,0|0,0,0]=2 401 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [1,1,0,0,0,0|0,0,0]=2 402 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [1,1,0,0,0,0|1,0,1]=4 405 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [1,1,0,0,0,0|1,0,1]=4 412 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [1,1,0,0,0,0|1,0,1]=4 413 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [1,1,0,0,0,0|1,0,1]=4 414 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [1,1,0,0,0,0|2,0,0]=4 418 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [1,1,0,0,0,0|2,0,0]=4 419 B10R1.17 CCCSC1=CC=NC=C1 CNP0522947.0 [1,1,0,0,0,0|2,0,0]=4 420 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [1,1,0,0,0,0|0,0,0]=2 423 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [1,1,0,0,0,0|1,0,0]=3 425 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [1,1,0,0,0,0|2,0,0]=4 427 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [1,1,0,0,0,0|1,0,0]=3 428 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [1,1,0,0,0,0|0,0,1]=3 430 B10R1.17 N#CSCC1=CC=CC=C1 CNP0192930.0 [1,1,0,0,0,0|0,0,2]=4 431 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [1,1,0,0,0,0|0,0,1]=3 432 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [1,1,0,0,0,0|0,0,0]=2 433 B10R1.17 NCCOC1=CC=CC=N1 CNP0468320.0 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [1,1,0,0,0,0|0,0,0]=2 435 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.17 OCC#CC1=CC=CC=C1 CNP0492963.0 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [1,1,0,0,0,0|1,0,0]=3 443 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [1,1,0,0,0,0|0,0,2]=4 445 B10R1.17 S=C=NCC1=CC=CC=C1 CNP0122123.0 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,1,0,0,0,0|1,0,1]=4 449 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [1,1,0,0,0,0|0,0,0]=2 455 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [1,1,0,0,0,0|0,0,0]=2 456 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [1,1,0,0,0,0|0,0,1]=3 459 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [1,1,0,0,0,0|0,0,1]=3 460 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.18 NC(=S)CC1=CC=CC=N1 CNP0060644.0 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.18 NC(=S)NC1=CC=CC=C1 CNP0415622.0 [1,1,0,0,0,0|1,0,1]=4 464 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [1,1,0,0,0,0|1,0,1]=4 468 B12R1.1 CC=CCOC1=CC=C(C=C1)O CNP0425430.0 [0,2,0,0,0,0|1,0,1]=4 469 B12R1.1 CCCCCC1=CC=C(C=C1)O CNP0317854.0 [0,2,0,0,0,0|1,0,0]=3 470 B12R1.1 CCCCOC1=CC=C(C=C1)Br CNP0109333.0 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.1 CCCCOC1=CC=C(C=C1)N CNP0043525.0 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.1 CCCCOC1=CC=C(C=C1)O CNP0129863.0 [0,2,0,0,0,0|1,0,0]=3 473 B12R1.1 CCCCSC1=CC=C(C=C1)C CNP0334221.0 [0,2,0,0,0,0|2,0,0]=4 474 B12R1.1 CNCCCC1=CC=C(C=C1)O CNP0135430.0 [0,2,0,0,0,0|0,0,0]=2 475 B12R1.1 COCC=CC1=CC=C(C=C1)O CNP0284684.0 [0,2,0,0,0,0|1,0,1]=4 476 B12R1.1 COCCCC1=CC=C(C=C1)O CNP0164469.0 [0,2,0,0,0,0|1,0,0]=3 477 B12R1.1 CONCCC1=CC=C(C=C1)O CNP0578444.0 [0,2,0,0,0,0|0,0,0]=2 478 B12R1.1 O=CNC=CC1=CC=C(C=C1)O CNP0570685.0 [0,2,0,0,0,0|0,0,2]=4 479 B12R1.1 O=CNCCC1=CC=C(C=C1)O CNP0057661.0 [0,2,0,0,0,0|0,0,0]=2 480 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O CNP0055892.0 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O CNP0179290.0 [0,2,0,0,0,0|1,0,1]=4 482 B12R1.16 CNC[C@@H](O)C1=CC=C(C=C1)O CNP0214406.2 [0,2,0,0,0,0|0,0,0]=2 483 B12R1.16 CNC[C@H](O)C1=CC=C(C=C1)O CNP0214406.1 [0,2,0,0,0,0|0,0,0]=2 484 B12R1.16 COCC(=O)C1=CC=C(C=C1)O CNP0289032.0 [0,2,0,0,0,0|1,0,1]=4 485 B12R1.16 COC[C@H](O)C1=CC=C(C=C1)O CNP0538036.1 [0,2,0,0,0,0|1,0,0]=3 486 B12R1.16 O=C(CCO)C1=CC=C(C=C1)O CNP0268127.0 [0,2,0,0,0,0|1,0,0]=3 487 B12R1.16 OCCC(O)C1=CC=C(C=C1)O CNP0181987.0 [0,2,0,0,0,0|1,0,0]=3 488 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [0,2,0,0,0,0|1,0,0]=3 490 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [0,2,0,0,0,0|1,0,1]=4 491 B12R1.21 CC(C)CCC1=CC=C(C=C1)O CNP0417670.0 [0,2,0,0,0,0|1,0,0]=3 492 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [0,2,0,0,0,0|2,0,0]=4 493 B12R1.21 CN(C)CCC1=CC=C(C=C1)O CNP0321554.0 [0,2,0,0,0,0|0,0,0]=2 494 B12R1.21 C[C@@H](O)CCC1=CC=C(C=C1)O CNP0144737.2 [0,2,0,0,0,0|1,0,0]=3 495 B12R1.21 C[C@H](O)CCC1=CC=C(C=C1)O CNP0144737.1 [0,2,0,0,0,0|1,0,0]=3 496 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)O CNP0070658.0 [0,2,0,0,0,0|0,0,2]=4 497 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CNP0590164.0 [0,2,0,0,0,0|0,0,0]=2 498 B12R1.21 NC(=O)N=NC1=CC=C(C=C1)O CNP0318057.0 [0,2,0,0,0,0|1,0,1]=4 499 B12R1.21 NC(=O)OCC1=CC=C(C=C1)O CNP0435961.0 [0,2,0,0,0,0|0,0,1]=3 500 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O CNP0585639.0 [0,2,0,0,0,0|2,0,0]=4 501 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [0,2,0,0,0,0|1,0,0]=3 502 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O CNP0287419.0 [0,2,0,0,0,0|1,0,1]=4 503 B12R1.21 O=C(O)COC1=CC=C(C=C1)O CNP0053966.0 [0,2,0,0,0,0|1,0,1]=4 504 B12R1.21 O=[N+]([O-])CCC1=CC=C(C=C1)O CNP0559272.0 [0,2,0,0,0,0|0,0,1]=3 505 B12R1.49 CC1=CC=C(C=C1)CC(C)C=O CNP0288270.0 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.49 CCC(=O)CC1=CC=C(C=C1)O CNP0549133.0 [0,2,0,0,0,0|1,0,0]=3 507 B12R1.49 COC(=O)CC1=CC=C(C=C1)O CNP0332506.0 [0,2,0,0,0,0|1,0,1]=4 508 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O CNP0129954.1 [0,2,0,0,0,0|0,0,0]=2 509 B12R1.49 N[C@H](C=O)CC1=CC=C(C=C1)O CNP0232449.1 [0,2,0,0,0,0|0,0,0]=2 510 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O CNP0129954.2 [0,2,0,0,0,0|0,0,0]=2 511 B12R1.49 OC[C@H](O)CC1=CC=C(C=C1)O CNP0307223.1 [0,2,0,0,0,0|1,0,0]=3 512 B12R1.49 ON=C(S)CC1=CC=C(C=C1)O CNP0205375.0 [0,2,0,0,0,0|0,0,2]=4 513 B12R1.69 NC1=CC=C(C(=C1)N)OCCO CNP0611677.0 [0,2,0,0,0,0|2,0,0]=4 514 B12R1.71 CCC=CC1=CC=C(C=C1)OC CNP0297970.0 [0,2,0,0,0,0|1,0,1]=4 515 B12R1.71 CNCCC1=CC=C(C=C1)OC CNP0219456.0 [0,2,0,0,0,0|0,0,0]=2 516 B12R1.71 COC1=CC=C(C=C1)C=CCO CNP0413642.0 [0,2,0,0,0,0|1,0,1]=4 517 B12R1.71 COC1=CC=C(C=C1)CCC#N CNP0264355.0 [0,2,0,0,0,0|0,0,1]=3 518 B12R1.71 COC1=CC=C(C=C1)CN=C=S CNP0188935.0 [0,2,0,0,0,0|1,0,1]=4 519 B12R1.71 COC1=CC=C(C=C1)COC=O CNP0338310.0 [0,2,0,0,0,0|1,0,1]=4 520 B12R1.71 COC1=CC=C(C=C1)C[N+]=C=S CNP0479456.0 [0,2,0,0,0,0|1,0,1]=4 521 B12R1.385 CCOCC1=CC=C(C(=C1)O)O CNP0111800.0 [0,2,0,0,0,0|1,0,0]=3 522 B12R1.385 CNCCC1=CC=C(C(=C1)Br)O CNP0131805.0 [0,2,0,0,0,0|0,0,0]=2 523 B12R1.385 CNCCC1=CC=C(C(=C1)O)O CNP0309288.0 [0,2,0,0,0,0|0,0,0]=2 524 B12R1.385 OCC=CC1=CC=C(C(=C1)O)O CNP0214486.0 [0,2,0,0,0,0|1,0,1]=4 525 B12R1.385 OCCCC1=CC=C(C(=C1)O)O CNP0326950.0 [0,2,0,0,0,0|1,0,0]=3 526 B12R1.4 CCC1=CC=C(C=C1)CC(C)C CNP0076478.0 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.4 COC1=CC=C(C=C1)CC(=O)C CNP0229458.0 [0,2,0,0,0,0|1,0,1]=4 528 B12R1.4 COC1=CC=C(C=C1)CC(=O)N CNP0553405.0 [0,2,0,0,0,0|0,0,1]=3 529 B12R1.4 COC1=CC=C(C=C1)CC(=O)O CNP0125359.0 [0,2,0,0,0,0|1,0,1]=4 530 B12R1.4 COC1=CC=C(C=C1)CN(C)C CNP0165442.0 [0,2,0,0,0,0|2,0,0]=4 531 B12R1.4 COC1=CC=C(C=C1)C[C@@H](C)N CNP0382405.1 [0,2,0,0,0,0|0,0,0]=2 532 B12R1.4 COC1=CC=C(C=C1)NC(=S)N CNP0409458.0 [0,2,0,0,0,0|1,0,1]=4 533 B12R1.4 N=C(N)NC1=CC=C(C=C1)CO CNP0583861.0 [0,2,0,0,0,0|1,0,1]=4 534 B12R1.19 CC(=O)CC1=CC=C(C(=C1)O)O CNP0097636.0 [0,2,0,0,0,0|1,0,1]=4 535 B12R1.19 CC1=CC(=CC=C1O)CC(=O)O CNP0116223.0 [0,2,0,0,0,0|1,0,1]=4 536 B12R1.19 C[C@H](N)CC1=CC=C(C(=C1)O)O CNP0397624.1 [0,2,0,0,0,0|0,0,0]=2 537 B12R1.19 NC(=O)CC1=CC=C(C(=C1)Cl)O CNP0313048.0 [0,2,0,0,0,0|0,0,1]=3 538 B12R1.19 NC(=O)CC1=CC=C(C(=C1)O)O CNP0087042.0 [0,2,0,0,0,0|0,0,1]=3 539 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Br)O CNP0127310.0 [0,2,0,0,0,0|1,0,1]=4 540 B12R1.19 O=C(O)CC1=CC=C(C(=C1)Cl)O CNP0326831.0 [0,2,0,0,0,0|1,0,1]=4 541 B12R1.19 O=C(O)CC1=CC=C(C(=C1)O)O CNP0276169.0 [0,2,0,0,0,0|1,0,1]=4 542 B12R1.20 CC(=O)[C@H](O)C1=CC=C(C=C1)O CNP0285683.1 [0,2,0,0,0,0|1,0,1]=4 543 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(C=C1)O CNP0251220.1 [0,2,0,0,0,0|1,0,1]=4 544 B12R1.20 C[C@@H](N)[C@@H](O)C1=CC=C(C=C1)O CNP0075690.4 [0,2,0,0,0,0|0,0,0]=2 545 B12R1.20 C[C@@H](N)[C@H](O)C1=CC=C(C=C1)O CNP0075690.2 [0,2,0,0,0,0|0,0,0]=2 546 B12R1.20 C[C@@H](O)[C@@H](O)C1=CC=C(C=C1)O CNP0258904.1 [0,2,0,0,0,0|1,0,0]=3 547 B12R1.20 C[C@@H](O)[C@H](O)C1=CC=C(C=C1)O CNP0258904.4 [0,2,0,0,0,0|1,0,0]=3 548 B12R1.20 C[C@H](C(=O)O)C1=CC=C(C=C1)O CNP0251220.2 [0,2,0,0,0,0|1,0,1]=4 549 B12R1.20 C[C@H](N)[C@@H](O)C1=CC=C(C=C1)O CNP0075690.1 [0,2,0,0,0,0|0,0,0]=2 550 B12R1.20 C[C@H](N)[C@H](O)C1=CC=C(C=C1)O CNP0075690.3 [0,2,0,0,0,0|0,0,0]=2 551 B12R1.20 C[C@H](O)[C@@H](O)C1=CC=C(C=C1)O CNP0258904.2 [0,2,0,0,0,0|1,0,0]=3 552 B12R1.20 C[C@H](O)[C@H](O)C1=CC=C(C=C1)O CNP0258904.3 [0,2,0,0,0,0|1,0,0]=3 553 B12R1.20 NC(=O)[C@H](N)C1=CC=C(C=C1)O CNP0154614.1 [0,2,0,0,0,0|0,0,1]=3 554 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(C=C1)O CNP0106681.1 [0,2,0,0,0,0|1,0,1]=4 555 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)O CNP0106681.2 [0,2,0,0,0,0|1,0,1]=4 556 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(C=C1)O CNP0103860.2 [0,2,0,0,0,0|1,0,1]=4 557 B12R1.20 O=C(O)[C@H](O)C1=CC=C(C=C1)O CNP0103860.1 [0,2,0,0,0,0|1,0,1]=4 558 B12R1.106 CC(C)(N)CC1=CC=C(C=C1)Cl CNP0568459.0 [0,2,0,0,0,0|1,0,0]=3 559 B12R1.106 CS(=O)(=O)CC1=CC=C(C=C1)O CNP0432866.0 [0,2,0,0,0,0|2,0,0]=4 560 B12R1.106 C[N+](C)(C)CC1=CC=C(C=C1)O CNP0553852.0 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.233 O=C(O)CC1=CC=C(C=C1O)O CNP0153620.0 [0,2,0,0,0,0|1,0,1]=4 562 B12R1.5 C=C[C@@H](O)C1=CC=C(C=C1)OC CNP0219145.2 [0,2,0,0,0,0|1,0,1]=4 563 B12R1.5 C=C[C@H](O)C1=CC=C(C=C1)OC CNP0219145.1 [0,2,0,0,0,0|1,0,1]=4 564 B12R1.5 CCC(=O)C1=CC=C(C=C1)OC CNP0079982.0 [0,2,0,0,0,0|1,0,1]=4 565 B12R1.5 CCC1=CC=C(C=C1)C(O)CO CNP0357223.0 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.5 CC[C@@H](O)C1=CC=C(C=C1)OC CNP0566750.2 [0,2,0,0,0,0|1,0,0]=3 567 B12R1.5 CC[C@H](O)C1=CC=C(C=C1)OC CNP0566750.1 [0,2,0,0,0,0|1,0,0]=3 568 B12R1.5 COC1=CC=C(C=C1)C(=O)CO CNP0302541.0 [0,2,0,0,0,0|1,0,1]=4 569 B12R1.5 COC1=CC=C(C=C1)C(=O)NN CNP0135265.0 [0,2,0,0,0,0|1,0,1]=4 570 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CN CNP0269432.1 [0,2,0,0,0,0|0,0,0]=2 571 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CO CNP0240871.1 [0,2,0,0,0,0|1,0,0]=3 572 B12R1.9 CCC(C)(C)C1=CC=C(C=C1)O CNP0085006.0 [0,2,0,0,0,0|1,0,0]=3 573 B12R1.9 CC[C@@](C)(O)C1=CC=C(C=C1)C CNP0114687.2 [0,2,0,0,0,0|2,0,0]=4 574 B12R1.9 CC[C@](C)(O)C1=CC=C(C=C1)C CNP0114687.1 [0,2,0,0,0,0|2,0,0]=4 575 B12R1.12 CO[C@@H](CO)C1=CC=C(C=C1)O CNP0260815.2 [0,2,0,0,0,0|1,0,0]=3 576 B12R1.12 CO[C@H](CO)C1=CC=C(C=C1)O CNP0260815.1 [0,2,0,0,0,0|1,0,0]=3 577 B12R1.367 CC1=CC=C(C=C1O)[C@@H](C)CO CNP0591150.1 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O CNP0313770.0 [0,2,0,0,0,0|1,0,1]=4 579 B12R1.367 N#CC(O)C1=CC=C(C(=C1)O)O CNP0085424.0 [0,2,0,0,0,0|0,0,2]=4 580 B12R1.367 NCC(=O)C1=CC=C(C(=C1)O)O CNP0133774.0 [0,2,0,0,0,0|0,0,1]=3 581 B12R1.367 NC[C@@H](O)C1=CC=C(C(=C1)O)O CNP0214798.3 [0,2,0,0,0,0|0,0,0]=2 582 B12R1.367 NC[C@H](O)C1=CC=C(C(=C1)O)O CNP0214798.2 [0,2,0,0,0,0|0,0,0]=2 583 B12R1.367 O=C(CO)C1=CC=C(C(=C1)O)O CNP0281749.0 [0,2,0,0,0,0|1,0,1]=4 584 B12R1.367 O=CC(O)C1=CC=C(C(=C1)O)O CNP0280132.0 [0,2,0,0,0,0|1,0,1]=4 585 B12R1.367 OC[C@H](O)C1=CC=C(C(=C1)O)O CNP0188951.1 [0,2,0,0,0,0|1,0,0]=3 586 B12R1.1703 CC1=CC=C(C(=C1)O)[C@H](C)CO CNP0160693.1 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.1703 O=C(CCl)C1=CC=C(C=C1O)O CNP0037880.0 [0,2,0,0,0,0|1,0,1]=4 588 B12R1.112 CCOC1=CC=C(C=C1CO)O CNP0181724.0 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.114 C=CCC1=CC=C(C=C1O)OC CNP0106128.0 [0,2,0,0,0,0|1,0,1]=4 590 B12R1.114 CCCC1=CC=C(C=C1C)CC CNP0216673.0 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.114 CCOC1=CC=C(C=C1O)CO CNP0221615.0 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.1123 NCCC1=CC(=C(C=C1O)O)O CNP0204441.0 [0,2,0,0,0,0|0,0,0]=2 593 B12R1.113 CC(C)C1=CC=C(C=C1)CCO CNP0101568.0 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.113 CCCC1=CC=C(C=C1)C(C)O CNP0532049.0 [0,2,0,0,0,0|1,0,0]=3 595 B12R1.113 CCCC1=CC=C(N=C1)C(=O)O CNP0313246.0 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.113 CCNC1=CC=C(C=C1)C(=O)O CNP0104432.0 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.113 CCOC1=CC=C(C=C1)C(=O)O CNP0304369.0 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.113 O=C(O)C1=CC=C(C=C1)CCO CNP0586767.0 [0,2,0,0,0,0|1,0,0]=3 599 B12R1.116 BrCCC1=CC=C(C=C1)CCBr CNP0060250.0 [0,2,0,0,0,0|2,0,0]=4 600 B12R1.116 CCCC1=CC=C(C=C1)C[N+]#N CNP0577325.0 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.116 COCC1=CC=C(C=C1)COC CNP0080194.0 [0,2,0,0,0,0|2,0,0]=4 602 B12R1.116 ClCCC1=CC=C(C=C1)CCCl CNP0402607.0 [0,2,0,0,0,0|2,0,0]=4 603 B12R1.116 ICCC1=CC=C(C=C1)CCI CNP0056277.0 [0,2,0,0,0,0|2,0,0]=4 604 B12R1.116 NCCC1=CC=C(C=C1)CCN CNP0445340.0 [0,2,0,0,0,0|1,0,0]=3 605 B12R1.288 C=CCC1=CC=C(C(=C1)O)OC CNP0181536.0 [0,2,0,0,0,0|1,0,1]=4 606 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CNP0214353.0 [0,2,0,0,0,0|1,0,0]=3 607 B12R1.288 COC1=CC=C(C=C1Br)CC#N CNP0197630.0 [0,2,0,0,0,0|0,0,2]=4 608 B12R1.288 COC1=CC=C(C=C1O)CCN CNP0246187.0 [0,2,0,0,0,0|0,0,0]=2 609 B12R1.288 COC1=CC=C(C=C1O)CCO CNP0076040.0 [0,2,0,0,0,0|1,0,0]=3 610 B12R1.44 C=CCC1=CC(=C(C(=C1)O)O)O CNP0018885.0 [0,2,0,0,0,0|1,0,1]=4 611 B12R1.44 COCC1=CC(=C(C(=C1)Br)O)Br CNP0124550.0 [0,2,0,0,0,0|2,0,0]=4 612 B12R1.44 COCC1=CC(=C(C(=C1)Br)O)O CNP0220987.0 [0,2,0,0,0,0|2,0,0]=4 613 B12R1.44 COCC1=CC(=C(C(=C1)O)O)O CNP0298714.0 [0,2,0,0,0,0|2,0,0]=4 614 B12R1.44 N#CCC1=CC(=C(C(=C1)Br)O)Br CNP0368424.0 [0,2,0,0,0,0|0,0,2]=4 615 B12R1.44 NCCC1=CC(=C(C(=C1)Br)O)Br CNP0207759.0 [0,2,0,0,0,0|0,0,0]=2 616 B12R1.44 NCCC1=CC(=C(C(=C1)O)O)O CNP0084304.0 [0,2,0,0,0,0|0,0,0]=2 617 B12R1.44 OCCC1=CC(=C(C(=C1)Cl)O)Cl CNP0109811.0 [0,2,0,0,0,0|1,0,0]=3 618 B12R1.44 [2H]C1=CC(=CC(=C1O)[2H])CCO CNP0589370.0 [0,2,0,0,0,0|1,0,0]=3 619 B12R1.286 C=CCC1=CC=C(C(=C1)OC)O CNP0134292.0 [0,2,0,0,0,0|1,0,1]=4 620 B12R1.286 CCC1=CC(=CC=C1O)CCN CNP0541887.0 [0,2,0,0,0,0|0,0,0]=2 621 B12R1.286 CCCC1=CC=C(C(=C1)OC)O CNP0321309.0 [0,2,0,0,0,0|1,0,0]=3 622 B12R1.286 COC1=CC(=CC=C1O)CC=O CNP0262632.0 [0,2,0,0,0,0|1,0,1]=4 623 B12R1.286 COC1=CC(=CC=C1O)CCN CNP0308219.0 [0,2,0,0,0,0|0,0,0]=2 624 B12R1.286 COC1=CC(=CC=C1O)CCO CNP0423217.0 [0,2,0,0,0,0|1,0,0]=3 625 B12R1.286 COCC1=CC=C(C(=C1)OC)O CNP0276003.0 [0,2,0,0,0,0|2,0,0]=4 626 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [1,0,0,1,0,0|1,0,0]=3 627 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [1,0,0,1,0,0|1,0,0]=3 628 B10R2.7 C1=CC2=C(C=N1)CCC2 CNP0185623.0 [1,0,0,1,0,0|2,0,0]=4 629 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [1,0,0,1,0,0|1,0,1]=4 630 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [1,0,0,1,0,0|1,0,0]=3 631 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [1,0,0,1,0,0|2,0,0]=4 632 B10R2.7 C1=CC=C2NC=CC2=C1 CNP0118430.0 [1,0,0,1,0,0|0,0,2]=4 633 B10R2.7 C1=CC=C2NC=NC2=C1 CNP0449067.0 [1,0,0,1,0,0|1,0,1]=4 634 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [1,0,0,1,0,0|0,0,0]=2 635 B10R2.7 C1=CC=C2NN=CC2=C1 CNP0438721.0 [1,0,0,1,0,0|1,0,1]=4 636 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [1,0,0,1,0,0|1,0,0]=3 637 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [1,0,0,1,0,0|2,0,0]=4 638 B10R2.7 C1=CC=C2SCSC2=C1 CNP0075064.0 [1,0,0,1,0,0|2,0,0]=4 639 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [1,0,0,1,0,0|2,0,0]=4 640 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [1,0,0,1,0,0|0,0,2]=4 641 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [1,0,0,1,0,0|1,0,0]=3 642 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [1,0,0,1,0,0|1,0,0]=3 643 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [1,0,0,1,0,0|1,0,0]=3 644 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [1,0,0,1,0,0|1,0,0]=3 645 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [1,0,0,1,0,0|0,0,0]=2 646 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [1,0,0,1,0,0|0,0,0]=2 647 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [1,0,0,1,0,0|1,0,1]=4 648 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [1,0,0,1,0,0|1,0,0]=3 649 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [1,0,0,1,0,0|1,0,0]=3 650 B12R2.24 CC1=CC=C2CCCCC2=C1 CNP0289026.0 [0,1,0,1,0,0|2,0,0]=4 651 B12R2.24 IC1=CC=C2CCNCC2=C1 CNP0494703.0 [0,1,0,1,0,0|1,0,0]=3 652 B12R2.24 OC1=CC=C2CCCCC2=C1 CNP0031078.0 [0,1,0,1,0,0|1,0,0]=3 653 B12R2.24 OC1=CC=C2CCNCC2=C1 CNP0284580.0 [0,1,0,1,0,0|0,0,0]=2 654 B12R2.24 OC1=CC=C2CNCCC2=C1 CNP0194768.0 [0,1,0,1,0,0|1,0,0]=3 655 B12R2.24 OC1=CC=C2OCC=CC2=C1 CNP0535758.0 [0,1,0,1,0,0|1,0,1]=4 656 B12R2.79 C[C@H]1O[C@@H]1C2=CC=C(C=C2)O CNP0275134.1 [0,1,0,1,0,0|1,0,0]=3 657 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 CNP0107236.0 [0,1,0,1,0,0|2,0,0]=4 658 B12R2.132 C[C@H]1CCC2=CC=C(C=C12)O CNP0247617.1 [0,1,0,1,0,0|1,0,0]=3 659 B12R2.132 O=C1CCC2=CC=C(C=C12)O CNP0121062.0 [0,1,0,1,0,0|1,0,0]=3 660 B12R2.132 O=C1COC2=CC=C(C=C12)O CNP0168548.0 [0,1,0,1,0,0|1,0,1]=4 661 B12R2.132 O[C@@H]1CCC2=CC=C(C=C12)Br CNP0369911.2 [0,1,0,1,0,0|2,0,0]=4 662 B12R2.132 O[C@H]1CCC2=CC=C(C=C12)Br CNP0369911.1 [0,1,0,1,0,0|2,0,0]=4 663 B12R2.606 N=C1NC2=CC=C(C=C2N1)O CNP0547413.0 [0,1,0,1,0,0|1,0,1]=4 664 B12R2.606 O=C1CC2=CC=C(C=C2N1)Br CNP0170267.0 [0,1,0,1,0,0|1,0,1]=4 665 B12R2.606 O=C1CC2=CC=C(C=C2N1)O CNP0215355.0 [0,1,0,1,0,0|0,0,1]=3 666 B12R2.606 O=C1CC2=CC=C(C=C2O1)O CNP0517521.0 [0,1,0,1,0,0|1,0,1]=4 667 B12R2.290 CC1=CC=C(C=C1)C2(NN2)O CNP0347507.0 [0,1,0,1,0,0|2,0,0]=4 668 B12R2.600 CC1C2=CC=C(C=C2C1C)Cl CNP0345606.0 [0,1,0,1,0,0|2,0,0]=4 669 B12R2.612 CC1=CC=C2C(=C1)OC[C@H]2C CNP0185437.1 [0,1,0,1,0,0|2,0,0]=4 670 B12R2.612 C[C@H]1CCC2=CC(=CC=C12)O CNP0200024.1 [0,1,0,1,0,0|1,0,0]=3 671 B12R2.612 O=C1CCC2=CC(=CC=C12)O CNP0499088.0 [0,1,0,1,0,0|1,0,1]=4 672 B12R2.612 O=C1COC2=CC(=CC=C12)O CNP0333641.0 [0,1,0,1,0,0|1,0,1]=4 673 B12R2.246 CC1=CC(=C2CCCC2=C1)C CNP0332105.0 [0,1,0,1,0,0|2,0,0]=4 674 B12R2.246 CC1=CC(=C2CCCC2=C1)O CNP0201391.0 [0,1,0,1,0,0|2,0,0]=4 675 B12R2.246 OC1=CC(=C2C=CNC2=C1)O CNP0341994.0 [0,1,0,1,0,0|0,0,2]=4 676 B12R2.44 COC1=CC=C2CC=CC2=C1 CNP0276821.0 [0,1,0,1,0,0|1,0,1]=4 677 B12R2.44 COC1=CC=C2N=CNC2=C1 CNP0503942.0 [0,1,0,1,0,0|1,0,1]=4 678 B12R2.44 O=CC1=CC=C2CCCC2=C1 CNP0186232.0 [0,1,0,1,0,0|1,0,1]=4 679 B12R2.44 OCC1=CC=C2OCOC2=C1 CNP0392701.0 [0,1,0,1,0,0|2,0,0]=4 680 B12R2.326 COC1=CC=C2CC(=O)C2=C1 CNP0032157.0 [0,1,0,1,0,0|1,0,1]=4 681 B12R2.82 CC1=C(C=CC2=C1CCC2)O CNP0145755.0 [0,1,0,1,0,0|1,0,0]=3 682 B12R2.82 CC1=CC=C2CCCC2=C1O CNP0311243.0 [0,1,0,1,0,0|2,0,0]=4 683 B12R2.100 CC1=CC2=C(C=C1O)CCC2 CNP0233345.0 [0,1,0,1,0,0|1,0,0]=3 684 B12R2.100 OC1=CC2=C(C=C1O)NC=C2 CNP0083566.0 [0,1,0,1,0,0|0,0,2]=4 685 B12R2.100 OC1=CC2=C(C=C1O)NCC2 CNP0258485.0 [0,1,0,1,0,0|0,0,0]=2 686 B12R2.100 OC1C=C2CCNC2=CC1O CNP0184963.0 [0,1,0,1,0,0|0,0,2]=4 687 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [1,0,0,0,1,0|2,0,0]=4 688 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [1,0,0,0,1,0|2,0,0]=4 689 B8R1.1 NCC1=CC(=NO1)O CNP0352634.0 [1,0,0,0,1,0|2,0,0]=4 690 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [1,0,0,0,1,0|2,0,0]=4 691 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [1,0,0,0,1,0|2,0,0]=4 692 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [1,0,0,0,1,0|2,0,0]=4 693 B8R1.8 NCCC1=CC=NN1 CNP0506107.0 [1,0,0,0,1,0|2,0,0]=4 694 B8R1.8 NCCC1=CN=CN1 CNP0591741.0 [1,0,0,0,1,0|2,0,0]=4 695 B8R1.8 NCCC1=CNC=N1 CNP0244923.0 [1,0,0,0,1,0|2,0,0]=4 696 B8R1.8 NCCN1C=CN=C1 CNP0591028.0 [1,0,0,0,1,0|2,0,0]=4 697 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [1,0,0,0,1,0|2,0,0]=4 698 B8R1.8 OCCN1C=CC=C1 CNP0108242.0 [1,0,0,0,1,0|2,0,0]=4