0 B11R1.3 C#CC1=CC=C(C=C1)[N+](=O)[O-] CNP0576680.0 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.3 C=C(C)C1=CC=C(C=C1)C=O CNP0243600.0 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O CNP0513206.0 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.3 C=CC1=CC=C(C=C1)[N+](=O)[O-] CNP0552467.0 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl CNP0268451.0 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.3 CCC1=CC=C(C=C1)C(=O)O CNP0225284.0 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.3 CCC1=CC=C(C=C1)C(C)O CNP0483491.0 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.3 CCC1=CN=C(C=N1)C(=O)C CNP0280983.0 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.3 CNC1=CC=C(C=C1)C(=O)N CNP0151690.0 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.3 CNC1=CC=C(C=C1)C(=O)O CNP0384043.0 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.3 CNC1=CC=C(C=C1)N(C)C CNP0587499.0 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.3 COC1=CC=C(C=C1)C(=O)Cl CNP0132459.0 [0,0,0,0,0,0|1,0,0]=1 14 B11R1.3 COC1=CC=C(C=C1)C(=O)N CNP0301578.0 [0,0,0,0,0,0|1,0,0]=1 15 B11R1.3 COC1=CC=C(C=C1)C(=O)O CNP0249583.0 [0,0,0,0,0,0|0,0,0]=0 16 B11R1.3 COC1=CC=C(C=C1)C(C)C CNP0579655.0 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.3 COC1=CC=C(C=C1)S(=O)=O CNP0546840.0 [0,0,0,0,0,0|1,0,1]=2 18 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O CNP0137067.1 [0,0,0,0,0,0|1,0,1]=2 19 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O CNP0137067.2 [0,0,0,0,0,0|1,0,1]=2 20 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] CNP0529321.0 [0,0,0,0,0,0|1,0,1]=2 21 B11R1.3 COC1=CC=C(C=N1)C(=O)O CNP0193366.0 [0,0,0,0,0,0|1,0,0]=1 22 B11R1.3 COC1=CN=C(C=N1)C(=O)C CNP0256640.0 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.3 C[C@H](O)C1=CC=C(C=C1)CN CNP0285277.1 [0,0,0,0,0,0|3,0,1]=4 24 B11R1.3 N=C(N)C1=CC=C(C=C1)CO CNP0538399.0 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.3 NC(=O)C1=CC=C(C=C1)C=O CNP0575281.0 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.3 NNC1=CC=C(C=C1)C(=O)O CNP0496695.0 [0,0,0,0,0,0|2,0,0]=2 27 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr CNP0050291.0 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.3 O=C(O)C1=CC=C(C=C1)CO CNP0163373.0 [0,0,0,0,0,0|2,0,0]=2 29 B11R1.3 O=C(O)C1=CC=C(C=C1)[Hg]O CNP0547098.0 [0,0,0,0,0,0|2,0,0]=2 30 B11R1.3 O=C(O)C1=CN=C(C=N1)CO CNP0383390.0 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.3 O=CC1=CC=C(C=C1)C(=O)O CNP0158402.0 [0,0,0,0,0,0|2,0,0]=2 32 B11R1.3 O=CC1=CC=C(C=C1)[N+](=O)[O-] CNP0489074.0 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.3 O=NC1=CC=C(C=C1)C(=O)O CNP0442117.0 [0,0,0,0,0,0|2,0,0]=2 34 B11R1.3 [2H]C(=O)C1=CC=C(C=C1)OC CNP0490657.0 [0,0,0,0,0,0|1,0,0]=1 35 B10R1.3 C=CC1=CC=C(C=C1)C=C CNP0540510.0 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.3 C=CC1=CC=C(C=C1)C=O CNP0512344.0 [1,0,0,0,0,0|1,0,1]=3 37 B10R1.3 C=CC1=CC=C(C=C1)CC CNP0084147.0 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.3 C=CC1=CC=C(C=C1)CO CNP0018712.0 [1,0,0,0,0,0|1,0,2]=4 39 B10R1.3 C=CC1=CC=C(C=C1)OC CNP0327301.0 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.3 CCC1=CC=C(C=C1)C#N CNP0223506.0 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.3 CCC1=CC=C(C=C1)C=O CNP0279142.0 [1,0,0,0,0,0|1,0,0]=2 42 B10R1.3 CCC1=CC=C(C=C1)CC CNP0158802.0 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.3 CCC1=CC=C(C=C1)OC CNP0330277.0 [1,0,0,0,0,0|1,0,1]=3 44 B10R1.3 CNC1=CC=C(C=C1)C=O CNP0246789.0 [1,0,0,0,0,0|1,0,0]=2 45 B10R1.3 COC1=CC=C(C=C1)C#N CNP0311472.0 [1,0,0,0,0,0|1,0,1]=3 46 B10R1.3 COC1=CC=C(C=C1)C=O CNP0234469.0 [1,0,0,0,0,0|0,0,0]=1 47 B10R1.3 COC1=CC=C(C=C1)C=S CNP0185667.0 [1,0,0,0,0,0|0,1,0]=2 48 B10R1.3 COC1=CC=C(C=C1)CN CNP0143724.0 [1,0,0,0,0,0|1,0,1]=3 49 B10R1.3 COC1=CC=C(C=C1)CO CNP0301946.0 [1,0,0,0,0,0|0,0,1]=2 50 B10R1.3 COC1=CC=C(C=C1)OC CNP0161668.0 [1,0,0,0,0,0|2,0,0]=3 51 B10R1.3 N#[N+]C1=CC=C(C=C1)CO CNP0355335.0 [1,0,0,0,0,0|2,0,1]=4 52 B10R1.3 O=CC1=CC=C(C=C1)C=O CNP0454004.0 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.3 O=CC1=CC=C(C=C1)CBr CNP0064464.0 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [1,0,0,0,0,0|2,0,0]=3 57 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [1,0,0,0,0,0|1,0,0]=2 58 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [1,0,0,0,0,0|1,0,0]=2 61 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [1,0,0,0,0,0|1,0,2]=4 63 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [1,0,0,0,0,0|2,0,1]=4 67 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [1,0,0,0,0,0|1,0,0]=2 68 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [1,0,0,0,0,0|1,0,0]=2 69 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [1,0,0,0,0,0|1,0,0]=2 70 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [1,0,0,0,0,0|0,0,0]=1 71 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [1,0,0,0,0,0|1,0,1]=3 73 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [1,0,0,0,0,0|1,0,1]=3 74 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [1,0,0,0,0,0|1,0,1]=3 75 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [1,0,0,0,0,0|1,0,1]=3 76 B10R1.13 N=C(N)C1=CC=C(C=C1)N CNP0095026.0 [1,0,0,0,0,0|3,0,0]=4 77 B10R1.13 N=C1C=CC(=CN1)C(=O)N CNP0537992.0 [1,0,0,0,0,0|3,0,0]=4 78 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [1,0,0,0,0,0|1,0,0]=2 79 B10R1.13 NC(=O)C1=CC=C(N=C1)Cl CNP0263777.0 [1,0,0,0,0,0|3,0,0]=4 80 B10R1.13 NC(=O)C1=CC=C(N=C1)N CNP0343331.0 [1,0,0,0,0,0|3,0,0]=4 81 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [1,0,0,0,0,0|1,0,0]=2 82 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [1,0,0,0,0,0|1,0,1]=3 83 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [1,0,0,0,0,0|1,0,1]=3 84 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] CNP0491985.0 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [1,0,0,0,0,0|1,0,0]=2 86 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [1,0,0,0,0,0|0,0,0]=1 87 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [1,0,0,0,0,0|1,0,0]=2 88 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [1,0,0,0,0,0|0,0,1]=2 89 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [1,0,0,0,0,0|1,0,0]=2 90 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [1,0,0,0,0,0|1,0,0]=2 91 B10R1.13 O=C(O)C1=CNC(=O)C=C1 CNP0533542.0 [1,0,0,0,0,0|1,0,1]=3 92 B10R1.13 O=C(O)C1=COC(=O)C=C1 CNP0363999.0 [1,0,0,0,0,0|1,0,1]=3 93 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [1,0,0,0,0,0|1,1,0]=3 94 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [1,0,0,0,0,0|0,0,1]=2 95 B10R1.13 O=C1CC=C(C=N1)C(=O)O CNP0253562.0 [1,0,0,0,0,0|1,0,2]=4 96 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [1,0,0,0,0,0|1,0,1]=3 97 B12R1.5 C=CC1=CC=C(C=C1)C(=O)OC CNP0518292.0 [0,1,0,0,0,0|1,0,1]=3 98 B12R1.5 C=C[C@@H](O)C1=CC=C(C=C1)OC CNP0219145.2 [0,1,0,0,0,0|1,0,1]=3 99 B12R1.5 C=C[C@H](O)C1=CC=C(C=C1)OC CNP0219145.1 [0,1,0,0,0,0|1,0,1]=3 100 B12R1.5 CCC(=O)C1=CC=C(C=C1)CC CNP0003457.0 [0,1,0,0,0,0|2,0,0]=3 101 B12R1.5 CCC(=O)C1=CC=C(C=C1)OC CNP0079982.0 [0,1,0,0,0,0|1,0,0]=2 102 B12R1.5 CCC1=CC=C(C=C1)C(O)CO CNP0357223.0 [0,1,0,0,0,0|1,0,2]=4 103 B12R1.5 CC[C@@H](O)C1=CC=C(C=C1)OC CNP0566750.2 [0,1,0,0,0,0|1,0,1]=3 104 B12R1.5 CC[C@H](O)C1=CC=C(C=C1)OC CNP0566750.1 [0,1,0,0,0,0|1,0,1]=3 105 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC CNP0331902.0 [0,1,0,0,0,0|1,0,0]=2 106 B12R1.5 COC(=O)C1=CC=C(C=C1)C#N CNP0062891.0 [0,1,0,0,0,0|2,0,0]=3 107 B12R1.5 COC(=O)C1=CC=C(C=C1)C=O CNP0296512.0 [0,1,0,0,0,0|2,0,0]=3 108 B12R1.5 COC(=O)C1=CC=C(C=C1)OC CNP0223742.0 [0,1,0,0,0,0|0,0,0]=1 109 B12R1.5 COC1=CC=C(C=C1)C(=NO)C CNP0105997.0 [0,1,0,0,0,0|1,0,0]=2 110 B12R1.5 COC1=CC=C(C=C1)C(=O)C=O CNP0302922.0 [0,1,0,0,0,0|0,0,1]=2 111 B12R1.5 COC1=CC=C(C=C1)C(=O)CO CNP0302541.0 [0,1,0,0,0,0|0,0,0]=1 112 B12R1.5 COC1=CC=C(C=C1)C(=O)NN CNP0135265.0 [0,1,0,0,0,0|1,0,0]=2 113 B12R1.5 COC1=CC=C(C=C1)C(=O)NO CNP0348259.0 [0,1,0,0,0,0|0,0,0]=1 114 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CN CNP0269432.1 [0,1,0,0,0,0|1,0,1]=3 115 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CO CNP0240871.1 [0,1,0,0,0,0|0,0,2]=3 116 B12R1.5 NNC(=O)C1=CC=C(C=C1)CBr CNP0035551.0 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.6 C=CC1=CC=C(C=C1)S(=O)(=O)O CNP0456092.0 [0,1,0,0,0,0|2,0,1]=4 118 B12R1.6 COC1=CC=C(C=C1)C(C)(C)O CNP0083065.0 [0,1,0,0,0,0|1,0,1]=3 119 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)N CNP0046229.0 [0,1,0,0,0,0|1,0,1]=3 120 B12R1.48 CCC1=CC=C(OC1=O)C(=O)C CNP0456336.0 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.48 COC1=CC=C(C=C1Br)C(=O)O CNP0097136.0 [0,1,0,0,0,0|0,0,0]=1 122 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)O CNP0343437.0 [0,1,0,0,0,0|0,0,0]=1 123 B12R1.48 COC1=CC=C(C=C1N)C(=O)N CNP0070991.0 [0,1,0,0,0,0|1,0,0]=2 124 B12R1.48 COC1=CC=C(C=C1O)C(=O)C CNP0215048.0 [0,1,0,0,0,0|1,0,0]=2 125 B12R1.48 COC1=CC=C(C=C1O)C(=O)N CNP0428552.0 [0,1,0,0,0,0|1,0,0]=2 126 B12R1.48 COC1=CC=C(C=C1O)C(=O)O CNP0220341.0 [0,1,0,0,0,0|0,0,0]=1 127 B12R1.48 COC1=CC=C(C=C1O)[N+](=O)[O-] CNP0599616.0 [0,1,0,0,0,0|1,0,1]=3 128 B12R1.48 COC1=COC(=CC1=O)C(=O)O CNP0349359.0 [0,1,0,0,0,0|1,0,0]=2 129 B12R1.48 O=C(O)C1=CC=C(C(=C1)O)CO CNP0123838.0 [0,1,0,0,0,0|2,0,0]=3 130 B12R1.113 CCCC1=CC=C(C=C1)C(C)O CNP0532049.0 [0,1,0,0,0,0|2,0,1]=4 131 B12R1.113 CCCC1=CC=C(N=C1)C(=O)O CNP0313246.0 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.113 CCNC1=CC=C(C=C1)C(=O)O CNP0104432.0 [0,1,0,0,0,0|1,0,0]=2 133 B12R1.113 CCOC1=CC=C(C=C1)C(=O)O CNP0304369.0 [0,1,0,0,0,0|0,0,0]=1 134 B12R1.113 CCOC1=CC=C(C=N1)C(=O)O CNP0230094.0 [0,1,0,0,0,0|1,0,0]=2 135 B12R1.113 COCC1=CC=C(C=C1)[S@@+](C)[O-] CNP0479913.1 [0,1,0,0,0,0|2,0,1]=4 136 B12R1.113 O=C(O)C1=CC=C(C=C1)CCO CNP0586767.0 [0,1,0,0,0,0|1,0,0]=2 137 B12R1.256 C=C(C)C1=CC=C(C=C1)C(C)C CNP0084857.0 [0,1,0,0,0,0|3,0,0]=4 138 B12R1.256 C=C(C)C1=CC=C(CC1)C(=O)O CNP0139056.0 [0,1,0,0,0,0|1,0,2]=4 139 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)C CNP0294593.0 [0,1,0,0,0,0|2,0,0]=3 140 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)O CNP0089019.0 [0,1,0,0,0,0|1,0,0]=2 141 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C CNP0419223.0 [0,1,0,0,0,0|2,0,0]=3 142 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O CNP0267334.0 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O CNP0541762.0 [0,1,0,0,0,0|1,0,0]=2 144 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)O CNP0229662.0 [0,1,0,0,0,0|1,0,0]=2 145 B12R1.256 CN(C)C1=CC=C(C=C1)[N+](=O)[O-] CNP0498455.0 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.256 O=C(Cl)C1=CC=C(C=C1)[N+](=O)[O-] CNP0590551.0 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.256 O=C(O)C1=CC=C(C=C1)B(O)O CNP0502328.0 [0,1,0,0,0,0|2,0,0]=3 148 B12R1.256 O=C(O)C1=CC=C(C=C1)C(=O)O CNP0327537.0 [0,1,0,0,0,0|2,0,0]=3 149 B12R1.256 O=C(O)C1=CC=C(C=C1)[N+](=O)[O-] CNP0490961.0 [0,1,0,0,0,0|2,0,0]=3 150 B12R1.452 CC(=O)C1=CC=C(C=C1O)CO CNP0111501.0 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.452 COC1=CC=C(C(=C1)C)C(=O)O CNP0457363.0 [0,1,0,0,0,0|0,0,0]=1 152 B12R1.452 COC1=CC=C(C(=C1)C)[N+](=O)[O-] CNP0580280.0 [0,1,0,0,0,0|1,0,1]=3 153 B12R1.452 COC1=CC=C(C(=C1)N)[N+](=O)[O-] CNP0479154.0 [0,1,0,0,0,0|1,0,1]=3 154 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)C CNP0324617.0 [0,1,0,0,0,0|1,0,0]=2 155 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)N CNP0206095.0 [0,1,0,0,0,0|1,0,0]=2 156 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)O CNP0102420.0 [0,1,0,0,0,0|0,0,0]=1 157 B12R2.2107 COC1=CC=C2C(=C1)C[C@@H]2O CNP0048694.1 [0,0,0,1,0,0|1,0,1]=3 158 B12R2.2107 COC1=CC=C2C(=C1)C[C@H]2O CNP0048694.2 [0,0,0,1,0,0|1,0,1]=3 159 B12R2.2107 COC1=CC=C2C(=O)CC2=C1 CNP0182366.0 [0,0,0,1,0,0|1,0,0]=2 160 B10R1.31 COC1=CC=C(O1)C(=O)C CNP0311546.0 [0,0,0,0,1,0|2,0,0]=3 161 B10R1.31 O=C(O)C1=CC=C(O1)CO CNP0283460.0 [0,0,0,0,1,0|3,0,0]=4 162 B10R1.31 O=C(O)C1=COC(=C1)CO CNP0104360.0 [0,0,0,0,1,0|3,0,0]=4 163 B10R1.31 O=CC1=CC=C(N1)C(=O)O CNP0257574.0 [0,0,0,0,1,0|3,0,0]=4 164 B12R1.4 C=CC1=CC=C(C=C1)NC(=O)C CNP0097579.0 [0,0,0,0,0,1|2,0,1]=4 165 B12R1.4 C=CC1=CC=C(C=C1)OC(=O)C CNP0306868.0 [0,0,0,0,0,1|2,0,1]=4 166 B12R1.4 CC(=O)NC1=CC=C(C=C1)C#N CNP0139066.0 [0,0,0,0,0,1|3,0,0]=4 167 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O CNP0136176.0 [0,0,0,0,0,1|3,0,0]=4 168 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO CNP0307687.0 [0,0,0,0,0,1|3,0,0]=4 169 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O CNP0169665.0 [0,0,0,0,0,1|3,0,0]=4 170 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C CNP0244471.0 [0,0,0,0,0,1|2,0,0]=3 171 B12R1.4 COC1=CC=C(C=C1)C=C(C)C CNP0103064.0 [0,0,0,0,0,1|2,0,0]=3 172 B12R1.4 COC1=CC=C(C=C1)CC(=O)C CNP0229458.0 [0,0,0,0,0,1|1,0,0]=2 173 B12R1.4 COC1=CC=C(C=C1)CC(=O)N CNP0553405.0 [0,0,0,0,0,1|1,0,0]=2 174 B12R1.4 COC1=CC=C(C=C1)CC(=O)O CNP0125359.0 [0,0,0,0,0,1|0,0,0]=1 175 B12R1.4 COC1=CC=C(C=C1)CN(C)C CNP0165442.0 [0,0,0,0,0,1|3,0,0]=4 176 B12R1.4 COC1=CC=C(C=C1)C[C@@H](C)N CNP0382405.1 [0,0,0,0,0,1|2,0,1]=4 177 B12R1.4 COC1=CC=C(C=C1)NC(=O)C CNP0211997.0 [0,0,0,0,0,1|1,0,0]=2 178 B12R1.4 COC1=CC=C(C=C1)NC(=S)N CNP0409458.0 [0,0,0,0,0,1|1,1,0]=3 179 B12R1.4 COC1=CC=C(C=N1)NC(=O)C CNP0029688.0 [0,0,0,0,0,1|2,0,0]=3 180 B9R0.1 C=CC(=CC=CC(=C)C)C CNP0243185.0 [1,0,1,0,0,0|2,0,0]=4 181 B9R0.1 CO[N+](=CC=CC(=O)O)[O-] CNP0535849.0 [1,0,1,0,0,0|2,0,0]=4 182 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [2,0,0,0,0,0|1,0,0]=3 183 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [2,0,0,0,0,0|1,0,0]=3 184 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [2,0,0,0,0,0|1,0,1]=4 185 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [2,0,0,0,0,0|0,0,0]=2 186 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [2,0,0,0,0,0|0,0,1]=3 187 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [2,0,0,0,0,0|1,0,0]=3 188 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [2,0,0,0,0,0|1,0,0]=3 189 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [2,0,0,0,0,0|2,0,0]=4 190 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [2,0,0,0,0,0|1,0,1]=4 191 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [2,0,0,0,0,0|2,0,0]=4 192 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [2,0,0,0,0,0|1,0,0]=3 193 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [2,0,0,0,0,0|1,0,0]=3 194 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [2,0,0,0,0,0|0,0,1]=3 195 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [2,0,0,0,0,0|1,0,0]=3 196 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [2,0,0,0,0,0|0,0,0]=2 197 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [2,0,0,0,0,0|1,0,1]=4 198 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [2,0,0,0,0,0|2,0,0]=4 199 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [2,0,0,0,0,0|1,0,0]=3 200 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [2,0,0,0,0,0|1,0,1]=4 201 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [2,0,0,0,0,0|0,0,0]=2 202 B9R1.1 O=CC1=CC=C(OC1)O CNP0334419.0 [2,0,0,0,0,0|1,0,1]=4 203 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [2,0,0,0,0,0|2,0,0]=4 204 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [2,0,0,0,0,0|1,0,1]=4 205 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [2,0,0,0,0,0|0,0,1]=3 206 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [2,0,0,0,0,0|1,0,1]=4 207 B9R1.1 [N-]=[N+]=C1C=CC(=O)C=C1 CNP0540787.0 [2,0,0,0,0,0|2,0,0]=4 208 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [2,0,0,0,0,0|1,0,0]=3 210 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [2,0,0,0,0,0|1,0,1]=4 214 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [2,0,0,0,0,0|1,0,1]=4 215 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [2,0,0,0,0,0|1,0,0]=3 217 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [2,0,0,0,0,0|2,0,0]=4 219 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [2,0,0,0,0,0|2,0,0]=4 220 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [2,0,0,0,0,0|0,0,0]=2 224 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [2,0,0,0,0,0|1,0,0]=3 225 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [2,0,0,0,0,0|1,0,0]=3 226 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [2,0,0,0,0,0|1,0,0]=3 227 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [2,0,0,0,0,0|2,0,0]=4 228 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [2,0,0,0,0,0|0,1,0]=3 229 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [2,0,0,0,0,0|0,0,1]=3 230 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [2,0,0,0,0,0|0,0,1]=3 231 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [2,0,0,0,0,0|0,0,1]=3 232 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [2,0,0,0,0,0|1,0,1]=4 233 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [2,0,0,0,0,0|1,0,1]=4 234 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [2,0,0,0,0,0|1,0,0]=3 235 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [2,0,0,0,0,0|1,0,1]=4 236 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [2,0,0,0,0,0|1,0,0]=3 237 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [2,0,0,0,0,0|1,0,0]=3 238 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [2,0,0,0,0,0|1,0,0]=3 239 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [2,0,0,0,0,0|1,0,1]=4 240 B11R1.83 C=CCC1=CC=C(C=C1)OC CNP0191217.0 [1,1,0,0,0,0|1,0,0]=3 241 B11R1.83 CC=CC1=CC=C(C=C1)OC CNP0402035.0 [1,1,0,0,0,0|1,0,0]=3 242 B11R1.83 CCCC1=CC=C(C=C1)OC CNP0255936.0 [1,1,0,0,0,0|1,0,1]=4 243 B11R1.83 CCOC1=CC=C(C=C1)C=O CNP0125855.0 [1,1,0,0,0,0|0,0,0]=2 244 B11R1.83 CCOC1=CC=C(C=C1)CO CNP0278439.0 [1,1,0,0,0,0|0,0,1]=3 245 B11R1.83 CNCC1=CC=C(C=C1)OC CNP0239380.0 [1,1,0,0,0,0|1,0,1]=4 246 B11R1.83 COC1=CC=C(C=C1)C=NN CNP0396597.0 [1,1,0,0,0,0|1,0,0]=3 247 B11R1.83 COC1=CC=C(C=C1)C=NO CNP0150314.0 [1,1,0,0,0,0|0,0,0]=2 248 B11R1.83 COC1=CC=C(C=C1)CC=O CNP0207724.0 [1,1,0,0,0,0|0,0,0]=2 249 B11R1.83 COC1=CC=C(C=C1)CCN CNP0137581.0 [1,1,0,0,0,0|1,0,1]=4 250 B11R1.83 COC1=CC=C(C=C1)CCO CNP0178762.0 [1,1,0,0,0,0|0,0,1]=3 251 B11R1.83 COCC1=CC=C(C=C1)OC CNP0142961.0 [1,1,0,0,0,0|0,0,1]=3 252 B11R1.83 NOC1=CC=C(C=C1)CC=O CNP0170203.0 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.279 C=CC1=CC=C(C(=C1)O)OC CNP0342720.0 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.279 CC1=CC(=CC=C1C=O)C=O CNP0301871.0 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.279 CC1=CC(=CC=C1OP)C=O CNP0344714.0 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.279 CCC1=CC=C(C(=C1)O)OC CNP0241141.0 [1,1,0,0,0,0|1,0,1]=4 257 B11R1.279 COC1=CC=C(C(=C1)Br)OC CNP0224499.0 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.279 COC1=CC=C(C(=C1)C)OC CNP0235109.0 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.279 COC1=CC=C(C(=C1)Cl)OC CNP0294313.0 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.279 COC1=CC=C(C(=C1)N)OC CNP0151673.0 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.279 COC1=CC=C(C(=C1)O)C=O CNP0298651.0 [1,1,0,0,0,0|0,0,0]=2 262 B11R1.279 COC1=CC=C(C(=C1)O)OC CNP0373176.0 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.279 COC1=CC=C(C(=N1)N)N=O CNP0131979.0 [1,1,0,0,0,0|2,0,0]=4 264 B11R1.279 COC1=CC=C(C=C1Br)C=O CNP0185743.0 [1,1,0,0,0,0|0,0,0]=2 265 B11R1.279 COC1=CC=C(C=C1Br)CO CNP0163543.0 [1,1,0,0,0,0|0,0,1]=3 266 B11R1.279 COC1=CC=C(C=C1C)C=O CNP0009035.0 [1,1,0,0,0,0|0,0,0]=2 267 B11R1.279 COC1=CC=C(C=C1Cl)C=O CNP0247895.0 [1,1,0,0,0,0|0,0,0]=2 268 B11R1.279 COC1=CC=C(C=C1Cl)CO CNP0187706.0 [1,1,0,0,0,0|0,0,1]=3 269 B11R1.279 COC1=CC=C(C=C1O)C=O CNP0420166.0 [1,1,0,0,0,0|0,0,0]=2 270 B11R1.279 COC1=CC=C(C=C1O)CN CNP0009082.0 [1,1,0,0,0,0|1,0,1]=4 271 B11R1.279 COC1=CC=C(C=C1O)CO CNP0153100.0 [1,1,0,0,0,0|0,0,1]=3 272 B11R1.279 COC1=COC(=CC1=O)CO CNP0312690.0 [1,1,0,0,0,0|1,0,1]=4 273 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O CNP0300826.0 [1,1,0,0,0,0|1,0,1]=4 274 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)N CNP0170715.0 [1,1,0,0,0,0|1,0,1]=4 275 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O CNP0341593.0 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.19 NC1=CC=C(C=C1)S(=O)(=O)O CNP0300837.0 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.19 NC1=CC=C(C=C1)[As](=O)(O)O CNP0474348.0 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)O CNP0475877.0 [1,1,0,0,0,0|1,0,0]=3 279 B11R1.19 O=S(=O)(O)C1=CC=C(C=C1)O CNP0102094.0 [1,1,0,0,0,0|1,0,0]=3 280 B11R1.19 O=S(=O)(O)C1=CC=C(C=C1)[Hg] CNP0505241.0 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.21 C=C(C)C1=CC=C(C(=C1)O)C CNP0410462.0 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)C CNP0091143.0 [1,1,0,0,0,0|1,0,0]=3 283 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)O CNP0484144.0 [1,1,0,0,0,0|1,0,0]=3 284 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)C CNP0155281.0 [1,1,0,0,0,0|1,0,0]=3 285 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)O CNP0310121.0 [1,1,0,0,0,0|1,0,0]=3 286 B11R1.21 CC(=O)C1=CC=C(C(=O)O1)C CNP0144436.0 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.21 CC1=CC(=CC=C1O)C(=O)O CNP0305353.0 [1,1,0,0,0,0|0,0,0]=2 288 B11R1.21 CC1=CC=C(C=C1C)C(=O)N CNP0387935.0 [1,1,0,0,0,0|1,0,0]=3 289 B11R1.21 CC1=CC=C(C=C1C)C(=O)O CNP0109169.0 [1,1,0,0,0,0|0,0,0]=2 290 B11R1.21 CC1=CC=C(C=C1C)C(C)O CNP0612219.0 [1,1,0,0,0,0|1,0,1]=4 291 B11R1.21 CC1=CC=C(C=C1O)C(=O)O CNP0262674.0 [1,1,0,0,0,0|0,0,0]=2 292 B11R1.21 CC1=CN=C(C=[N+]1[O-])C(=O)O CNP0490875.0 [1,1,0,0,0,0|2,0,0]=4 293 B11R1.21 CN1C=C(C=CC1=O)C(=O)O CNP0136116.0 [1,1,0,0,0,0|1,0,1]=4 294 B11R1.21 NC(=O)C1=CC=C(C(=C1)N)O CNP0336966.0 [1,1,0,0,0,0|1,0,0]=3 295 B11R1.21 NC(=O)C1=CC=C(C(=C1)O)O CNP0582162.0 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.21 NC1=CC(=CC=C1O)C(=O)O CNP0343618.0 [1,1,0,0,0,0|0,0,0]=2 297 B11R1.21 NC1=CC=C(C=C1N)C(=O)O CNP0515616.0 [1,1,0,0,0,0|1,0,0]=3 298 B11R1.21 NC1=CC=C(C=C1O)C(=O)O CNP0018090.0 [1,1,0,0,0,0|1,0,0]=3 299 B11R1.21 O=C(O)C1=CC(=O)C(=CO1)O CNP0498099.0 [1,1,0,0,0,0|1,0,0]=3 300 B11R1.21 O=C(O)C1=CC=C(C(=C1)Br)O CNP0414254.0 [1,1,0,0,0,0|0,0,0]=2 301 B11R1.21 O=C(O)C1=CC=C(C(=C1)Cl)O CNP0131355.0 [1,1,0,0,0,0|0,0,0]=2 302 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)O CNP0348948.0 [1,1,0,0,0,0|0,0,0]=2 303 B11R1.21 O=C(O)C1=CC[C@H](C(=C1)O)O CNP0081104.1 [1,1,0,0,0,0|0,0,2]=4 304 B11R1.21 O=C(O)C1=COC(=O)C(=C1)Br CNP0460308.0 [1,1,0,0,0,0|1,0,1]=4 305 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)Cl)O CNP0491874.0 [1,1,0,0,0,0|1,0,1]=4 306 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)O)O CNP0593657.0 [1,1,0,0,0,0|1,0,1]=4 307 B11R1.22 C=C[C@@H](O)C1=CC=C(C=C1)O CNP0280373.2 [1,1,0,0,0,0|1,0,1]=4 308 B11R1.22 C=C[C@H](O)C1=CC=C(C=C1)O CNP0280373.1 [1,1,0,0,0,0|1,0,1]=4 309 B11R1.22 CC1=CC=C(C=C1)C(=NO)N CNP0330819.0 [1,1,0,0,0,0|1,0,0]=3 310 B11R1.22 CC1=CC=C(C=C1)C(=O)NO CNP0029154.0 [1,1,0,0,0,0|0,0,0]=2 311 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [1,1,0,0,0,0|1,0,1]=4 312 B11R1.22 CC1=CC=C(C=C1)[C@H](C)CO CNP0229536.1 [1,1,0,0,0,0|1,0,1]=4 313 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [1,1,0,0,0,0|1,0,0]=3 315 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [1,1,0,0,0,0|1,0,1]=4 316 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [1,1,0,0,0,0|0,0,0]=2 318 B11R1.22 COC(=O)C1=CC=C(C=C1)N CNP0162858.0 [1,1,0,0,0,0|1,0,0]=3 319 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [1,1,0,0,0,0|0,0,0]=2 320 B11R1.22 COC(=O)C1=COC(=O)C=C1 CNP0038303.0 [1,1,0,0,0,0|1,0,1]=4 321 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [1,1,0,0,0,0|1,0,1]=4 322 B11R1.22 N#C[C@@H](O)C1=CC=C(C=C1)O CNP0245965.1 [1,1,0,0,0,0|1,0,1]=4 323 B11R1.22 N#C[C@H](O)C1=CC=C(C=C1)O CNP0245965.2 [1,1,0,0,0,0|1,0,1]=4 324 B11R1.22 NC[C@@H](O)C1=CC=C(C=C1)O CNP0139359.1 [1,1,0,0,0,0|1,0,1]=4 325 B11R1.22 NC[C@H](O)C1=CC=C(C=C1)O CNP0139359.2 [1,1,0,0,0,0|1,0,1]=4 326 B11R1.22 NNC(=O)C1=CC=C(C=C1)Cl CNP0071039.0 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.22 NNC(=O)C1=CC=C(C=C1)O CNP0382573.0 [1,1,0,0,0,0|1,0,0]=3 328 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br CNP0077206.0 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [1,1,0,0,0,0|0,0,0]=2 330 B11R1.22 O=C(NO)C1=CC=C(C=C1)Br CNP0218698.0 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.22 O=CC(=O)C1=CC=C(C=C1)O CNP0271271.0 [1,1,0,0,0,0|0,0,1]=3 332 B11R1.22 OC[C@@H](O)C1=CC=C(C=C1)O CNP0398619.1 [1,1,0,0,0,0|0,0,2]=4 333 B11R1.22 OC[C@H](O)C1=CC=C(C=C1)O CNP0398619.2 [1,1,0,0,0,0|0,0,2]=4 334 B11R1.22 ON=C(Cl)C1=CC=C(C=C1)Cl CNP0052470.0 [1,1,0,0,0,0|2,0,0]=4 335 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [1,1,0,0,0,0|1,0,0]=3 336 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [1,1,0,0,0,0|1,0,0]=3 338 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CNP0529513.0 [1,1,0,0,0,0|2,0,0]=4 339 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [1,1,0,0,0,0|1,0,0]=3 340 B11R1.166 CC1=CC(=CC=C1C(=O)O)O CNP0075319.0 [1,1,0,0,0,0|0,0,0]=2 341 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O CNP0491726.0 [1,1,0,0,0,0|1,0,0]=3 342 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)Cl CNP0035950.0 [1,1,0,0,0,0|1,0,0]=3 343 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)O CNP0439432.0 [1,1,0,0,0,0|0,0,0]=2 344 B11R1.166 CC1=CC=C(C(=C1)N)[N+](=O)[O-] CNP0575477.0 [1,1,0,0,0,0|1,0,1]=4 345 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CNP0081106.0 [1,1,0,0,0,0|1,0,0]=3 346 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl CNP0526880.0 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.166 NC(=O)C1=CC=C(C=C1O)O CNP0268339.0 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.166 NC1=CC=C(C(=C1)N)C(=O)O CNP0400011.0 [1,1,0,0,0,0|1,0,0]=3 349 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)O CNP0313106.0 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.166 O=C(Cl)C1=CC=C(C=C1O)O CNP0210532.0 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.166 O=C(O)C1=CC=C(C=C1Cl)Cl CNP0175601.0 [1,1,0,0,0,0|1,0,0]=3 352 B11R1.166 O=C(O)C1=CC=C(C=C1O)O CNP0285956.0 [1,1,0,0,0,0|0,0,0]=2 353 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Cl CNP0609125.0 [1,1,0,0,0,0|2,0,0]=4 354 B11R1.166 O=C(O)C1=CN=C(N=C1O)O CNP0502839.0 [1,1,0,0,0,0|2,0,0]=4 355 B11R1.166 O=[N+]([O-])C1=CC=C(C=C1O)O CNP0564391.0 [1,1,0,0,0,0|1,0,1]=4 356 B11R1.124 CC#CC1=CC=C(S1)C(=O)O CNP0562114.0 [0,1,0,0,1,0|2,0,0]=4 357 B13R1.4 CCC1=CC=C(C=C1)NS(=O)(=O)O CNP0576144.0 [0,1,0,0,0,1|2,0,0]=4 358 B13R1.4 CCC1=CC=C(C=C1)OS(=O)(=O)O CNP0276376.0 [0,1,0,0,0,1|2,0,0]=4 359 B13R1.5 COC(=O)CC1=CC=C(C=C1)CO CNP0556872.0 [0,1,0,0,0,1|2,0,0]=4 360 B13R1.5 COC(=O)CC1=CC=C(C=C1)OC CNP0285139.0 [0,1,0,0,0,1|0,0,0]=2 361 B13R1.5 COC1=CC=C(C=C1)C=C(C)C=O CNP0094206.0 [0,1,0,0,0,1|1,0,0]=3 362 B13R1.5 COC1=CC=C(C=C1)NC(=S)SC CNP0050911.0 [0,1,0,0,0,1|0,2,0]=4 363 B13R1.35 COC1=CC=C(C=C1Br)CC(=O)O CNP0165426.0 [0,1,0,0,0,1|0,0,0]=2 364 B13R1.35 COC1=CC=C(C=C1O)CC(=O)O CNP0071040.0 [0,1,0,0,0,1|0,0,0]=2 365 B13R1.36 CCC1=CC=C(C=C1)[C@@H](N)C(=O)O CNP0597821.2 [0,1,0,0,0,1|1,0,0]=3 366 B13R1.36 CCC1=CC=C(C=C1)[C@H](N)C(=O)O CNP0597821.1 [0,1,0,0,0,1|1,0,0]=3 367 B13R1.36 COC1=CC=C(C=C1)C(=O)C(=O)N CNP0144847.0 [0,1,0,0,0,1|1,0,0]=3 368 B13R1.36 COC1=CC=C(C=C1)C(=O)C(=O)O CNP0281347.0 [0,1,0,0,0,1|0,0,0]=2 369 B13R1.36 COC1=CC=C(C=C1)C(=O)[C@@H](C)O CNP0372179.1 [0,1,0,0,0,1|1,0,1]=4 370 B13R1.36 COC1=CC=C(C=C1)C(=O)[C@H](C)O CNP0372179.2 [0,1,0,0,0,1|1,0,1]=4 371 B13R1.36 COC1=CC=C(C=C1)[C@@H](C)C(=O)O CNP0249424.1 [0,1,0,0,0,1|0,0,0]=2 372 B13R1.36 COC1=CC=C(C=C1)[C@@H](N)C(=O)O CNP0485785.2 [0,1,0,0,0,1|0,0,0]=2 373 B13R1.36 COC1=CC=C(C=C1)[C@@H](O)C(=O)O CNP0292670.1 [0,1,0,0,0,1|0,0,0]=2 374 B13R1.36 COC1=CC=C(C=C1)[C@@H](O)[C@@H](C)O CNP0184598.4 [0,1,0,0,0,1|1,0,1]=4 375 B13R1.36 COC1=CC=C(C=C1)[C@@H](O)[C@H](C)O CNP0184598.2 [0,1,0,0,0,1|1,0,1]=4 376 B13R1.36 COC1=CC=C(C=C1)[C@H](N)C(=O)O CNP0485785.1 [0,1,0,0,0,1|0,0,0]=2 377 B13R1.36 COC1=CC=C(C=C1)[C@H](O)[C@@H](C)O CNP0184598.1 [0,1,0,0,0,1|1,0,1]=4 378 B13R1.36 COC1=CC=C(C=C1)[C@H](O)[C@H](C)O CNP0184598.3 [0,1,0,0,0,1|1,0,1]=4 379 B13R1.36 COC1=CC=C(CC1)C(=O)C(=O)O CNP0138113.0 [0,1,0,0,0,1|0,0,2]=4 380 B13R1.36 N#CC1=CC=C(C=C1)[C@@H](N)C(=O)O CNP0591542.1 [0,1,0,0,0,1|2,0,0]=4 381 B13R1.36 N#CC1=CC=C(C=C1)[C@H](N)C(=O)O CNP0591542.2 [0,1,0,0,0,1|2,0,0]=4 382 B13R1.142 CC(=O)OC1=CC=C(C=C1)CCO CNP0287085.0 [0,1,0,0,0,1|2,0,0]=4 383 B13R1.142 CCOC1=CC=C(C=C1)CC(=O)O CNP0313669.0 [0,1,0,0,0,1|0,0,0]=2 384 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)C CNP0330924.0 [0,1,0,0,0,1|1,0,0]=3 385 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)C CNP0141125.0 [0,1,0,0,0,1|2,0,0]=4 386 B13R1.585 CC(C)C1=CC=C(C=C1)NC(=O)N CNP0436925.0 [0,1,0,0,0,1|2,0,0]=4 387 B13R1.585 O=C(O)CC1=CC=C(C=C1)[N+](=O)[O-] CNP0517706.0 [0,1,0,0,0,1|2,0,0]=4 388 B13R1.653 COC1=CC=C(C(=C1)O)CC(=O)O CNP0239375.0 [0,1,0,0,0,1|0,0,0]=2 389 B13R1.653 COC1=CC=C(C(=C1)O)C[C@H](C)O CNP0360565.1 [0,1,0,0,0,1|1,0,1]=4 390 B13R1.653 COC1=CC=C(C(=C1)O)NC(=O)C CNP0561115.0 [0,1,0,0,0,1|1,0,0]=3 391 B13R1.39 COC1=CC=C(C=C1)C(CO)OC CNP0495050.0 [0,2,0,0,0,0|0,0,2]=4 392 B13R1.39 COC1=CC=C(C=C1)C(OC)OC CNP0234292.0 [0,2,0,0,0,0|0,0,2]=4 393 B13R1.95 CCC(=O)C1=CC=C(C=C1O)OC CNP0227317.0 [0,2,0,0,0,0|1,0,0]=3 394 B13R1.95 COC(=O)C1=CC=C(C=C1O)OC CNP0304629.0 [0,2,0,0,0,0|0,0,0]=2 395 B13R1.452 CCOC(=O)C1=CC=C(C=C1)NC CNP0322194.0 [0,2,0,0,0,0|1,0,0]=3 396 B13R1.452 CCOC(=O)C1=CC=C(C=C1)OC CNP0334589.0 [0,2,0,0,0,0|0,0,0]=2 397 B13R1.452 CCOC(=O)C1=CC=C(C=N1)OC CNP0243346.0 [0,2,0,0,0,0|1,0,0]=3 398 B13R1.452 CCOC(=O)C1=CC=C(N=C1)OC CNP0232360.0 [0,2,0,0,0,0|1,0,0]=3 399 B13R1.452 CNC[C@H](O)C1=CC=C(C=C1)OC CNP0170815.1 [0,2,0,0,0,0|1,0,1]=4 400 B13R1.452 COC1=CC=C(C=C1)C(=O)CC#N CNP0144468.0 [0,2,0,0,0,0|1,0,0]=3 401 B13R1.537 CC(=O)C1=CC=C(C=C1)[C@H](O)CO CNP0118446.1 [0,2,0,0,0,0|2,0,0]=4 402 B13R1.537 CC[C@@H](C)C1=CC=C(C=C1)C(=O)O CNP0478298.1 [0,2,0,0,0,0|1,0,0]=3 403 B13R1.537 CC[C@H](C)C1=CC=C(C=C1)C(=O)O CNP0478298.2 [0,2,0,0,0,0|1,0,0]=3 404 B13R1.537 CN(C)C1=CC=C(C=C1)C(=NO)Cl CNP0372081.0 [0,2,0,0,0,0|2,0,0]=4 405 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)N CNP0483290.0 [0,2,0,0,0,0|1,0,0]=3 406 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)O CNP0165133.0 [0,2,0,0,0,0|0,0,0]=2 407 B13R1.537 COC(=O)C1=CC=C(C=C1)[N+](=O)[O-] CNP0481897.0 [0,2,0,0,0,0|1,0,1]=4 408 B13R1.537 O=C(O)C1=CC=C(C=C1)C(=O)CBr CNP0477948.0 [0,2,0,0,0,0|1,0,0]=3 409 B13R1.3088 COC(=O)C1=CC=C(C(=C1)O)OC CNP0155987.0 [0,2,0,0,0,0|0,0,0]=2 410 B13R1.3088 COC1=CC=C(C=C1O)[C@@H](O)CO CNP0150126.1 [0,2,0,0,0,0|0,0,2]=4 411 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=O)O CNP0058800.0 [0,2,0,0,0,0|1,0,0]=3 412 B13R1.338 CC(C)(O)C1=CC=C(C=C1)C(=O)O CNP0313898.0 [0,2,0,0,0,0|1,0,0]=3 413 B13R1.338 NS(=O)(=O)C1=CC=C(C=C1)C(=O)O CNP0160980.0 [0,2,0,0,0,0|1,1,0]=4 414 B13R1.120 CC(=O)C1=CC=C(C=C1O)C(=O)O CNP0605440.0 [0,2,0,0,0,0|1,0,0]=3 415 B13R1.120 CC(C)C1=CC=C(C=C1O)C(=O)O CNP0237614.0 [0,2,0,0,0,0|1,0,0]=3 416 B13R1.120 CC1=CC(=CC=C1C(=O)O)C(=O)N CNP0577452.0 [0,2,0,0,0,0|2,0,0]=4 417 B13R1.120 CC1=CC(=CC=C1C(=O)O)[N+](=O)[O-] CNP0606851.0 [0,2,0,0,0,0|2,0,0]=4 418 B13R1.120 NC1=CC(=CC=C1C(=O)O)[N+](=O)[O-] CNP0556321.0 [0,2,0,0,0,0|2,0,0]=4 419 B13R1.120 O=C(O)C1=CC=C(C(=C1)O)C(=O)O CNP0423012.0 [0,2,0,0,0,0|2,0,0]=4 420 B13R1.652 COC1=CC(=C(C=C1Br)C(=O)C)O CNP0197660.0 [0,2,0,0,0,0|1,0,0]=3 421 B13R1.652 COC1=CC(=C(C=C1C)C(=O)O)C CNP0473530.0 [0,2,0,0,0,0|0,0,0]=2 422 B13R1.652 COC1=CC(=C(C=C1O)C(=O)C)O CNP0205734.0 [0,2,0,0,0,0|1,0,0]=3 423 B13R1.3091 C=C(C)C1=CC=C(C(=C1)OC)OC CNP0310060.0 [0,2,0,0,0,0|2,0,0]=4 424 B13R1.3091 COC1=CC=C(C=C1C=O)C(=O)C CNP0138193.0 [0,2,0,0,0,0|1,0,0]=3 425 B13R1.3091 COC1=CC=C(C=C1OC)C(=O)C CNP0212163.0 [0,2,0,0,0,0|1,0,0]=3 426 B13R1.3091 COC1=CC=C(C=C1OC)C(=O)N CNP0186366.0 [0,2,0,0,0,0|1,0,0]=3 427 B13R1.3091 COC1=CC=C(C=C1OC)C(=O)O CNP0328859.0 [0,2,0,0,0,0|0,0,0]=2 428 B13R1.3091 COC1=CC=C(C=C1OC)C(C)O CNP0521065.0 [0,2,0,0,0,0|1,0,1]=4 429 B13R1.3096 COC1=CC=C(C(=C1N)O)C(=O)N CNP0395135.0 [0,2,0,0,0,0|1,0,0]=3 430 B13R1.3096 COC1=CC=C(C(=C1O)O)C(=O)C CNP0408569.0 [0,2,0,0,0,0|1,0,0]=3 431 B13R1.3096 COC1=CC=C(C(=C1O)O)C(=O)O CNP0277888.0 [0,2,0,0,0,0|0,0,0]=2 432 B13R1.3380 COC1=C(C=C(C=C1Br)C(=O)N)O CNP0243712.0 [0,2,0,0,0,0|1,0,0]=3 433 B13R1.3380 COC1=C(C=C(C=C1Br)C(=O)O)Br CNP0514258.0 [0,2,0,0,0,0|0,0,0]=2 434 B13R1.3380 COC1=C(C=C(C=C1Br)C(=O)O)O CNP0129092.0 [0,2,0,0,0,0|0,0,0]=2 435 B13R1.3380 COC1=C(C=C(C=C1C)C(=O)C)C CNP0309261.0 [0,2,0,0,0,0|1,0,0]=3 436 B13R1.3380 COC1=C(C=C(C=C1C)C(=O)O)C CNP0306507.0 [0,2,0,0,0,0|0,0,0]=2 437 B13R1.3380 COC1=C(C=C(C=C1Cl)C(=O)O)Cl CNP0247534.0 [0,2,0,0,0,0|0,0,0]=2 438 B13R1.3380 COC1=C(C=C(C=C1O)C(=O)C)C CNP0342545.0 [0,2,0,0,0,0|1,0,0]=3 439 B13R1.3380 COC1=C(C=C(C=C1O)C(=O)O)O CNP0151030.0 [0,2,0,0,0,0|0,0,0]=2 440 B13R1.74 C=CCCC1=CC=C(N=C1)C(=O)O CNP0208159.0 [0,2,0,0,0,0|2,0,0]=4 441 B13R1.74 CCCCC1=CC=C(C=C1)C(=O)Cl CNP0069306.0 [0,2,0,0,0,0|2,0,0]=4 442 B13R1.74 CCCCC1=CC=C(C=C1)C(=O)O CNP0451250.0 [0,2,0,0,0,0|1,0,0]=3 443 B13R1.74 CCCCC1=CC=C(N=C1)C(=O)O CNP0304533.0 [0,2,0,0,0,0|2,0,0]=4 444 B13R1.74 CCCOC1=CC=C(C=C1)C(=O)O CNP0295278.0 [0,2,0,0,0,0|0,0,0]=2 445 B13R1.99 COC1=CC=C(C(=C1)OC)C(=O)C CNP0393689.0 [0,2,0,0,0,0|1,0,0]=3 446 B13R1.99 COC1=CC=C(C(=C1)OC)C(=O)O CNP0199475.0 [0,2,0,0,0,0|0,0,0]=2 447 B13R1.428 COC1=CC(=C(C(=C1)C)C(=O)O)C CNP0279778.0 [0,2,0,0,0,0|0,0,0]=2 448 B13R1.428 COC1=CC(=C(C(=C1)O)C(=O)C)C CNP0119132.0 [0,2,0,0,0,0|1,0,0]=3 449 B13R1.428 COC1=CC(=C(C(=C1)O)C(=O)C)O CNP0276533.0 [0,2,0,0,0,0|1,0,0]=3 450 B13R1.428 COC1=CC(=C(C(=C1)O)C(=O)O)C CNP0163460.0 [0,2,0,0,0,0|0,0,0]=2 451 B13R1.428 COC1=CC(=C(C(=C1)O)C(=O)O)O CNP0166928.0 [0,2,0,0,0,0|0,0,0]=2 452 B11R1.159 CC1=CC=CC(=C1N)C(=O)O CNP0472872.0 [0,0,1,1,0,0|2,0,0]=4 453 B11R1.159 CC1=CC=CC(=C1O)C(=O)O CNP0134592.0 [0,0,1,1,0,0|2,0,0]=4 454 B11R2.190 COC1=CC=C2CCC2=C1 CNP0063591.0 [1,0,0,1,0,0|1,0,1]=4 455 B11R2.363 CC1=CC=C2C(=O)CC2=C1 CNP0317782.0 [1,0,0,1,0,0|1,0,0]=3 456 B13R2.16 COC1=CC=C(C=C1)[C@@H]2O[C@H]2C CNP0316606.1 [0,0,0,1,0,1|1,0,1]=4 457 B13R2.184 COC1=CC=C(C=C1)C[C@@H]2CO2 CNP0109830.2 [0,0,0,1,0,1|1,0,1]=4 458 B13R2.184 COC1=CC=C(C=C1)C[C@H]2CO2 CNP0109830.1 [0,0,0,1,0,1|1,0,1]=4 459 B13R2.2121 COC1=CC=C2N=C(OC2=C1)O CNP0603780.0 [0,0,0,1,0,1|0,0,1]=3 460 B13R2.2121 COC1=CC=C2NC(=O)OC2=C1 CNP0215384.0 [0,0,0,1,0,1|0,0,0]=2 461 B13R2.2121 COC1=CC=C2NC(=O)SC2=C1 CNP0406672.0 [0,0,0,1,0,1|0,1,0]=3 462 B13R2.2121 COC1=CC=C2OC(=CC2=C1)C CNP0292033.0 [0,0,0,1,0,1|2,0,0]=4 463 B13R2.2112 COC1=CC=C2C(=O)C(=O)C2=C1 CNP0418435.0 [0,1,0,1,0,0|0,0,1]=3 464 B13R2.2130 COC1=CC2=NO[N+](=C2C=C1)[O-] CNP0575233.0 [0,1,0,1,0,0|1,0,1]=4 465 B13R2.2130 COC1=CC=C2C(=O)CCC2=C1 CNP0365392.0 [0,1,0,1,0,0|1,0,0]=3 466 B13R2.430 CC(=O)C1=CC=C2OCCC2=C1 CNP0365179.0 [0,1,0,1,0,0|1,0,0]=3 467 B13R2.430 CC(=O)C1=CC=C2OCOC2=C1 CNP0109786.0 [0,1,0,1,0,0|1,0,0]=3 468 B13R2.430 NC(=O)C1=CC=C2OCOC2=C1 CNP0322148.0 [0,1,0,1,0,0|1,0,0]=3 469 B13R2.430 O=C(Cl)C1=CC=C2OCOC2=C1 CNP0266159.0 [0,1,0,1,0,0|1,0,0]=3 470 B13R2.430 O=C(O)C1=CC=C2NC=CC2=C1 CNP0083028.0 [0,1,0,1,0,0|1,0,1]=4 471 B13R2.430 O=C(O)C1=CC=C2OC=CC2=C1 CNP0314403.0 [0,1,0,1,0,0|0,0,1]=3 472 B13R2.430 O=C(O)C1=CC=C2OCCC2=C1 CNP0201380.0 [0,1,0,1,0,0|0,0,0]=2 473 B13R2.430 O=C(O)C1=CC=C2OCOC2=C1 CNP0322584.0 [0,1,0,1,0,0|0,0,0]=2 474 B13R2.1590 COC1=CC2=C(C=C1C)C(=O)C2 CNP0035660.0 [0,1,0,1,0,0|1,0,0]=3 475 B13R2.2131 COC1=CC=C2C(=O)CC2=C1C CNP0062804.0 [0,1,0,1,0,0|1,0,0]=3 476 B13R2.428 O=[N+]([O-])C1=CC=C(C=C1)[C@@H]2CO2 CNP0487726.2 [0,1,0,1,0,0|1,0,1]=4 477 B13R2.428 O=[N+]([O-])C1=CC=C(C=C1)[C@H]2CO2 CNP0487726.1 [0,1,0,1,0,0|1,0,1]=4 478 B13R2.6688 COC1=CC(=C2C(=O)CC2=C1)C CNP0058640.0 [0,1,0,1,0,0|1,0,0]=3 479 B9R0.42 C=C(CC(=O)OC)C(=O)O CNP0268165.0 [0,0,1,0,1,0|1,0,1]=4 480 B9R1.21 CCC1=CC=C(O1)C=O CNP0610543.0 [1,0,0,0,1,0|2,0,0]=4 481 B9R1.21 CCC1=CNC(=C1)C=O CNP0109135.0 [1,0,0,0,1,0|2,0,0]=4 482 B9R1.21 COC1=CC=C(O1)C=O CNP0184831.0 [1,0,0,0,1,0|1,0,0]=3 483 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [1,0,0,0,1,0|2,0,0]=4 484 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [1,0,0,0,1,0|2,0,0]=4 485 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [1,0,0,0,1,0|2,0,0]=4 486 B9R1.35 CC(=O)C1=CN(C=C1)C CNP0609118.0 [1,0,0,0,1,0|2,0,0]=4 487 B9R1.35 CC1=CC(=CO1)C(=O)O CNP0306402.0 [1,0,0,0,1,0|1,0,0]=3 488 B9R1.35 CC1=CC(=NO1)C(=O)O CNP0309988.0 [1,0,0,0,1,0|2,0,0]=4 489 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [1,0,0,0,1,0|1,0,0]=3 490 B9R1.35 CC1=CN(N=C1)C(=O)O CNP0600504.0 [1,0,0,0,1,0|2,0,0]=4 491 B9R1.35 CC1=CNC(=C1)C(=O)O CNP0109431.0 [1,0,0,0,1,0|1,0,0]=3 492 B9R1.35 CC1=COC(=C1)C(=O)O CNP0234380.0 [1,0,0,0,1,0|1,0,0]=3 493 B9R1.35 CC1=NC=C(N1)C(=O)O CNP0443494.0 [1,0,0,0,1,0|2,0,0]=4 494 B9R1.35 O=C(O)C1=CC(=CN1)Br CNP0268142.0 [1,0,0,0,1,0|2,0,0]=4 495 B9R1.35 O=C(O)C1=CC(=CN1)O CNP0363770.0 [1,0,0,0,1,0|1,0,0]=3 496 B9R1.35 O=C(O)C1=CC=C(N1)Br CNP0435630.0 [1,0,0,0,1,0|2,0,0]=4 497 B9R1.35 O=C(O)C1=CC=C(O1)O CNP0082303.0 [1,0,0,0,1,0|1,0,0]=3 498 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [1,0,0,0,0,1|2,0,0]=4 499 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [1,0,0,0,0,1|2,0,0]=4 500 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [1,0,0,0,0,1|1,0,0]=3 501 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [1,0,0,0,0,1|1,0,1]=4 502 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [1,0,0,0,0,1|2,0,0]=4 503 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [1,0,0,0,0,1|2,0,0]=4 504 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [1,0,0,0,0,1|2,0,0]=4 505 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [1,0,0,0,0,1|1,0,0]=3 506 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [1,0,0,0,0,1|1,0,0]=3 507 B11R1.20 NC(=O)CC1=CC=C(C=C1)O CNP0490937.0 [1,0,0,0,0,1|1,0,0]=3 508 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl CNP0310141.0 [1,0,0,0,0,1|2,0,0]=4 509 B11R1.20 NC(=O)NC1=CC=C(C=C1)O CNP0160153.0 [1,0,0,0,0,1|1,0,0]=3 510 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [1,0,0,0,0,1|1,0,0]=3 511 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [1,0,0,0,0,1|1,0,0]=3 512 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [1,0,0,0,0,1|0,0,0]=2 513 B11R1.20 O=C(O)NC1=CC=C(C=C1)Cl CNP0172129.0 [1,0,0,0,0,1|1,0,0]=3 514 B11R1.20 O=C([O-])CC1=CC=C(C=C1)O CNP0582582.0 [1,0,0,0,0,1|0,0,1]=3 515 B11R1.20 O=C1C=CC(C=C1)CC(=O)O CNP0605531.0 [1,0,0,0,0,1|0,0,2]=4 516 B11R1.266 CCC1=CC=CC(=C1)C(=O)C CNP0129791.0 [0,0,0,0,1,1|2,0,0]=4 517 B11R1.266 COC1=CC=CC(=C1)C(=O)C CNP0402576.0 [0,0,0,0,1,1|1,0,0]=3 518 B11R1.266 COC1=CC=CC(=C1)C(=O)Cl CNP0325095.0 [0,0,0,0,1,1|1,0,0]=3 519 B11R1.266 COC1=CC=CC(=C1)C(=O)N CNP0107427.0 [0,0,0,0,1,1|1,0,0]=3 520 B11R1.266 COC1=CC=CC(=C1)C(=O)O CNP0251972.0 [0,0,0,0,1,1|0,0,0]=2 521 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr CNP0445236.0 [0,0,0,0,1,1|2,0,0]=4 522 B11R1.266 O=CC1=CC=CC(=C1)C(=O)O CNP0507166.0 [0,0,0,0,1,1|2,0,0]=4 523 B13R1.3 CC(=O)CCC1=CC=C(C=C1)ON CNP0361857.0 [0,0,0,0,0,2|2,0,0]=4 524 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)O CNP0457495.0 [0,0,0,0,0,2|1,0,0]=3 525 B13R1.3 CCC1=CC=C(C=C1)COC(=O)C CNP0564625.0 [0,0,0,0,0,2|2,0,0]=4 526 B13R1.3 COC1=CC=C(C=C1)C#CC(=O)O CNP0598557.0 [0,0,0,0,0,2|0,0,0]=2 527 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)C CNP0085604.0 [0,0,0,0,0,2|1,0,0]=3 528 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)N CNP0497592.0 [0,0,0,0,0,2|1,0,0]=3 529 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)O CNP0250415.0 [0,0,0,0,0,2|0,0,0]=2 530 B13R1.3 COC1=CC=C(C=C1)C=C[N+](=O)[O-] CNP0600697.0 [0,0,0,0,0,2|1,0,1]=4 531 B13R1.3 COC1=CC=C(C=C1)CCC(=O)C CNP0123166.0 [0,0,0,0,0,2|1,0,0]=3 532 B13R1.3 COC1=CC=C(C=C1)CCC(=O)N CNP0592087.0 [0,0,0,0,0,2|1,0,0]=3 533 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O CNP0156617.0 [0,0,0,0,0,2|0,0,0]=2 534 B13R1.3 COC1=CC=C(C=C1)CC[C@H](C)O CNP0324316.1 [0,0,0,0,0,2|1,0,1]=4 535 B13R1.3 COC1=CC=C(C=C1)CC[N+](=O)[O-] CNP0491242.0 [0,0,0,0,0,2|1,0,1]=4 536 B13R1.3 COC1=CC=C(C=C1)CNC(=O)C CNP0514444.0 [0,0,0,0,0,2|1,0,0]=3 537 B13R1.3 COC1=CC=C(C=C1)COC(=O)C CNP0232581.0 [0,0,0,0,0,2|1,0,0]=3 538 B13R1.3 COC1=CC=C(C=C1)N=NC(=O)N CNP0184303.0 [0,0,0,0,0,2|1,0,0]=3 539 B13R1.3 COC1=CC=C(C=C1)NNC(=S)N CNP0047522.0 [0,0,0,0,0,2|1,1,0]=4 540 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O CNP0080091.0 [0,0,0,0,0,2|0,0,0]=2 541 B13R1.3 CSC1=CC=C(C=C1)C=CC(=O)O CNP0602100.0 [0,0,0,0,0,2|0,1,0]=3