0 B12R2.1081 C=C1C=C[CH]C2=CC=CC=C12 CNP0546671.0 [0,0,0,0,0,0|0,0,2]=2 1 B12R2.1081 CC1=CC=CC2=C1CCCC2 CNP0246317.0 [0,0,0,0,0,0|0,0,4]=4 2 B12R2.1081 CC1=CC=CC2=CC=CC=C12 CNP0115105.0 [0,0,0,0,0,0|0,0,0]=0 3 B12R2.1081 CC1=CC=CC2=CC=CCN12 CNP0344849.0 [0,0,0,0,0,0|1,0,1]=2 4 B12R2.1081 CC1=CC=CC2=CC=CN=C12 CNP0256900.0 [0,0,0,0,0,0|1,0,0]=1 5 B12R2.1081 CC1=CC=CC2=CN=CC=C12 CNP0132588.0 [0,0,0,0,0,0|1,0,0]=1 6 B12R2.1081 CC1=CC=CC2=NC=CC=C12 CNP0205038.0 [0,0,0,0,0,0|1,0,0]=1 7 B12R2.1081 CC1=CC=CC2=NC=CN=C12 CNP0283701.0 [0,0,0,0,0,0|2,0,0]=2 8 B12R2.1081 CC1=CC=NC2=CC=CC=C12 CNP0138798.0 [0,0,0,0,0,0|1,0,0]=1 9 B12R2.1081 CC1=CN=CC2=CC=NC=C12 CNP0255709.0 [0,0,0,0,0,0|2,0,0]=2 10 B12R2.1081 CC1=CN=CC2=CN=CC=C12 CNP0238746.0 [0,0,0,0,0,0|2,0,0]=2 11 B12R2.1081 CC1=CN=NC2=CC=CC=C12 CNP0290464.0 [0,0,0,0,0,0|2,0,0]=2 12 B12R2.1081 CC1=NC=CC2=CC=CC=C12 CNP0255450.0 [0,0,0,0,0,0|1,0,0]=1 13 B12R2.1081 CC1=NC=NC2=CC=CC=C12 CNP0159497.0 [0,0,0,0,0,0|2,0,0]=2 14 B12R2.1081 CC1=NC=NC2=CN=NC=C12 CNP0352260.0 [0,0,0,0,0,0|4,0,0]=4 15 B12R2.1081 CN1C=CCC2=CC=CC=C12 CNP0162060.0 [0,0,0,0,0,0|1,0,1]=2 16 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CNP0232039.0 [0,0,0,0,0,0|1,0,0]=1 17 B12R2.1081 NC1=CC=CC2=CN=CC=C12 CNP0491811.0 [0,0,0,0,0,0|2,0,0]=2 18 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CNP0117074.0 [0,0,0,0,0,0|2,0,0]=2 19 B12R2.1081 NC1=CC=NC2=CC=NC=C12 CNP0500992.0 [0,0,0,0,0,0|3,0,0]=3 20 B12R2.1081 NC1=NC=NC2=CC=CC=C12 CNP0045001.0 [0,0,0,0,0,0|3,0,0]=3 21 B12R2.1081 O=C1C=CNC2=CC=CC=C12 CNP0216865.0 [0,0,0,0,0,0|2,0,0]=2 22 B12R2.1081 O=C1C=COC2=CC=CC=C12 CNP0132668.0 [0,0,0,0,0,0|2,0,0]=2 23 B12R2.1081 O=C1CCCC2=CC=CC=C12 CNP0265726.0 [0,0,0,0,0,0|1,0,3]=4 24 B12R2.1081 O=C1CCNC2=CC=CC=C12 CNP0329955.0 [0,0,0,0,0,0|2,0,2]=4 25 B12R2.1081 O=C1CCOC2=CC=CC=C12 CNP0350030.0 [0,0,0,0,0,0|2,0,2]=4 26 B12R2.1081 O=C1COCC2=CC=CC=C12 CNP0581106.0 [0,0,0,0,0,0|2,0,2]=4 27 B12R2.1081 O=C1N=CNC2=CC=CC=C12 CNP0539981.0 [0,0,0,0,0,0|3,0,0]=3 28 B12R2.1081 O=C1NC=CC2=CC=CC=C12 CNP0530117.0 [0,0,0,0,0,0|2,0,0]=2 29 B12R2.1081 O=C1NC=NC2=CC=CC=C12 CNP0490983.0 [0,0,0,0,0,0|3,0,0]=3 30 B12R2.1081 O=C1NCCC2=CC=CC=C12 CNP0436374.0 [0,0,0,0,0,0|2,0,2]=4 31 B12R2.1081 O=C1OC=CC2=CC=CC=C12 CNP0123677.0 [0,0,0,0,0,0|2,0,0]=2 32 B12R2.1081 O=C1OCCC2=CC=CC=C12 CNP0492778.0 [0,0,0,0,0,0|2,0,2]=4 33 B12R2.1081 O=C1O[Bi]OC2=CC=CC=C12 CNP0547190.0 [0,0,0,0,0,0|4,0,0]=4 34 B12R2.1081 OC1=CC=CC2=CC=CC=C12 CNP0302215.0 [0,0,0,0,0,0|1,0,0]=1 35 B12R2.1081 OC1=CC=CC2=CC=CN=C12 CNP0302552.0 [0,0,0,0,0,0|2,0,0]=2 36 B12R2.1081 OC1=CC=CC2=CN=CC=C12 CNP0482477.0 [0,0,0,0,0,0|2,0,0]=2 37 B12R2.1081 OC1=CC=NC2=CC=CC=C12 CNP0508656.0 [0,0,0,0,0,0|2,0,0]=2 38 B12R2.1081 OC1=NC=NC2=CC=CC=C12 CNP0201692.0 [0,0,0,0,0,0|3,0,0]=3 39 B12R2.1081 OC1=NCCC2=CC=CC=C12 CNP0563497.0 [0,0,0,0,0,0|2,0,2]=4 40 B12R2.1081 [CH2]C1=CC=CC2=CC=CC=C12 CNP0547790.0 [0,0,0,0,0,0|0,0,1]=1 41 B12R2.1081 [O-]C1=CC=CC2=CC=CN=C12 CNP0590286.0 [0,0,0,0,0,0|2,0,0]=2 42 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [1,0,0,0,0,0|0,0,2]=3 43 B11R2.20 C1=CC2=CC=CC=C2CN1 CNP0424699.0 [1,0,0,0,0,0|1,0,1]=3 44 B11R2.20 C1=CC2=CC=CC=C2OC1 CNP0050375.0 [1,0,0,0,0,0|1,0,1]=3 45 B11R2.20 C1=CC=C2C=CC=CC2=C1 CNP0256712.0 [1,0,0,0,0,0|0,0,0]=1 46 B11R2.20 C1=CC=C2C=NC=CC2=C1 CNP0263666.0 [1,0,0,0,0,0|1,0,0]=2 47 B11R2.20 C1=CC=C2N=CC=CC2=C1 CNP0279563.0 [1,0,0,0,0,0|1,0,0]=2 48 B11R2.20 C1=CC=C2N=CC=NC2=C1 CNP0127883.0 [1,0,0,0,0,0|2,0,0]=3 49 B11R2.20 C1=CC=C2N=CN=CC2=C1 CNP0141742.0 [1,0,0,0,0,0|2,0,0]=3 50 B11R2.20 C1=CN=C2C=NC=CC2=C1 CNP0564328.0 [1,0,0,0,0,0|2,0,0]=3 51 B11R2.20 C1=CN=C2N=CN=CC2=C1 CNP0489706.0 [1,0,0,0,0,0|3,0,0]=4 52 B13R2.32 CC1=CC=C2C=CC=CC2=C1C CNP0125770.0 [0,1,0,0,0,0|0,0,0]=1 53 B13R2.32 CC1=CC=C2C=CC=CC2=C1O CNP0079966.0 [0,1,0,0,0,0|1,0,0]=2 54 B13R2.32 CC1=CC=C2C=CC=CC2=[N+]1C CNP0554757.0 [0,1,0,0,0,0|1,0,0]=2 55 B13R2.32 CC1=CC=C2C=CC=CC2=[N+]1[O-] CNP0552927.0 [0,1,0,0,0,0|2,0,0]=3 56 B13R2.32 CC1=COC2=CC=CC=C2C1=O CNP0287052.0 [0,1,0,0,0,0|2,0,0]=3 57 B13R2.32 CC1=NN=C2C=CC=CC2=C1C CNP0075368.0 [0,1,0,0,0,0|2,0,0]=3 58 B13R2.32 CN1C(=O)C=CC2=CC=CC=C12 CNP0123557.0 [0,1,0,0,0,0|1,0,0]=2 59 B13R2.32 NC1=CN=C2C=CC=CC2=C1N CNP0531898.0 [0,1,0,0,0,0|2,0,0]=3 60 B13R2.32 NC1=C[NH+]=C2C=CC=CC2=C1N CNP0505604.0 [0,1,0,0,0,0|2,0,0]=3 61 B13R2.32 O=C1C(=COC2=CC=CC=C12)Br CNP0278171.0 [0,1,0,0,0,0|2,0,0]=3 62 B13R2.32 O=C1C=CC2=CC=CC=C2C1=O CNP0033512.0 [0,1,0,0,0,0|1,0,0]=2 63 B13R2.32 OC1=C(C=CC2=CC=CN=C12)Br CNP0349964.0 [0,1,0,0,0,0|2,0,0]=3 64 B13R2.32 OC1=CC=C2C=CC=CC2=C1O CNP0130639.0 [0,1,0,0,0,0|1,0,0]=2 65 B13R2.32 OC1=CN=C2C=CC=CC2=C1O CNP0037450.0 [0,1,0,0,0,0|2,0,0]=3 66 B13R2.32 O[C@@H]1C2=CC=CC=C2C=C[C@@H]1O CNP0225338.2 [0,1,0,0,0,0|1,0,2]=4 67 B13R2.32 O[C@H]1C=CC2=CC=CC=C2[C@@H]1O CNP0225338.1 [0,1,0,0,0,0|1,0,2]=4 68 B13R2.162 CC1=CC=C2C=CC=C(C2=C1)C CNP0154270.0 [0,1,0,0,0,0|0,0,0]=1 69 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)C CNP0207344.0 [0,1,0,0,0,0|1,0,0]=2 70 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)O CNP0029119.0 [0,1,0,0,0,0|2,0,0]=3 71 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)C CNP0309408.0 [0,1,0,0,0,0|1,0,0]=2 72 B13R2.162 CC1=CC=C2N=CC=C(C2=C1)N CNP0596449.0 [0,1,0,0,0,0|2,0,0]=3 73 B13R2.162 CC1=CC=C2OC=CC(=O)C2=C1 CNP0192947.0 [0,1,0,0,0,0|2,0,0]=3 74 B13R2.162 CC1=CC=C2[NH+]=CC=C(C2=C1)N CNP0593426.0 [0,1,0,0,0,0|2,0,0]=3 75 B13R2.162 CN1C=CC=C2C1=CC(=O)C=C2 CNP0582015.0 [0,1,0,0,0,0|1,0,0]=2 76 B13R2.162 NC1=CC=C2OC=CC(=O)C2=C1 CNP0056600.0 [0,1,0,0,0,0|2,0,0]=3 77 B13R2.162 NC1=CC=CC2=CC=C(C=C12)O CNP0058557.0 [0,1,0,0,0,0|1,0,0]=2 78 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)O CNP0290938.0 [0,1,0,0,0,0|2,0,0]=3 79 B13R2.162 O=C1C=CC2=CC=CC(=C2O1)O CNP0166688.0 [0,1,0,0,0,0|2,0,0]=3 80 B13R2.162 O=C1C=CNC2=CC=C(C=C12)O CNP0568965.0 [0,1,0,0,0,0|2,0,0]=3 81 B13R2.162 O=C1C=COC2=CC=C(C=C12)Br CNP0067975.0 [0,1,0,0,0,0|2,0,0]=3 82 B13R2.162 O=C1C=COC2=CC=C(C=C12)Cl CNP0240355.0 [0,1,0,0,0,0|2,0,0]=3 83 B13R2.162 OC1=CC=C2C=CC=C(C2=C1)O CNP0611675.0 [0,1,0,0,0,0|1,0,0]=2 84 B13R2.162 OC1=CC=C2N=CC=C(C2=C1)O CNP0154722.0 [0,1,0,0,0,0|2,0,0]=3 85 B13R2.328 CC1=CC(=C2C=CC=CC2=C1)C CNP0318754.0 [0,1,0,0,0,0|0,0,0]=1 86 B13R2.328 CC1=CC(=C2C=CC=CC2=N1)C CNP0211039.0 [0,1,0,0,0,0|1,0,0]=2 87 B13R2.328 CC1=CC(=C2C=CC=CC2=N1)N CNP0568512.0 [0,1,0,0,0,0|2,0,0]=3 88 B13R2.328 CC1=CC(=C2C=CC=CC2=N1)O CNP0344629.0 [0,1,0,0,0,0|2,0,0]=3 89 B13R2.328 CC1=CC(=C2C=CC=CC2=[NH+]1)N CNP0537497.0 [0,1,0,0,0,0|2,0,0]=3 90 B13R2.328 CC1=CC(=C2N=CC=CC2=C1)C CNP0159578.0 [0,1,0,0,0,0|1,0,0]=2 91 B13R2.328 CC1=CC(=NC2=CC=CC=C12)O CNP0373109.0 [0,1,0,0,0,0|1,0,0]=2 92 B13R2.328 CC1=CC(=O)NC2=CC=CC=C12 CNP0579434.0 [0,1,0,0,0,0|1,0,0]=2 93 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 CNP0027289.0 [0,1,0,0,0,0|1,0,0]=2 94 B13R2.328 CC1=CC(=S)C2=CC=CC=C2N1 CNP0143259.0 [0,1,0,0,0,0|2,0,0]=3 95 B13R2.328 CC1=CC(=[N+]2C=CC=CC2=N1)C CNP0596811.0 [0,1,0,0,0,0|2,0,0]=3 96 B13R2.328 CC1=CC2=CC=CC=C2C(=N1)C CNP0233687.0 [0,1,0,0,0,0|1,0,0]=2 97 B13R2.328 CC1=CC2=CC=CC=C2C(=O)O1 CNP0424914.0 [0,1,0,0,0,0|2,0,0]=3 98 B13R2.328 CC1=CC2=CN=CC=C2C(=N1)Cl CNP0001232.0 [0,1,0,0,0,0|3,0,0]=4 99 B13R2.328 CC1=NC(=C2C=CC=CC2=N1)C CNP0346769.0 [0,1,0,0,0,0|2,0,0]=3 100 B13R2.328 CC1=NC(=C2C=CC=CC2=N1)O CNP0593568.0 [0,1,0,0,0,0|3,0,0]=4 101 B13R2.328 CC1=NC(=NC2=CC=CC=C12)N CNP0343177.0 [0,1,0,0,0,0|2,0,0]=3 102 B13R2.328 CC1=NC(=O)C2=CC=CC=C2N1 CNP0502720.0 [0,1,0,0,0,0|3,0,0]=4 103 B13R2.328 CC1=NC2=CC=CC=C2C(=O)N1 CNP0141617.0 [0,1,0,0,0,0|3,0,0]=4 104 B13R2.328 CC1=NC2=CC=CC=C2C(=O)O1 CNP0418101.0 [0,1,0,0,0,0|3,0,0]=4 105 B13R2.328 NC1=CC(=O)OC2=CC=CC=C12 CNP0024724.0 [0,1,0,0,0,0|2,0,0]=3 106 B13R2.328 NC1=NC2=CC=CC=C2C(=O)N1 CNP0526004.0 [0,1,0,0,0,0|3,0,0]=4 107 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CNP0229016.0 [0,1,0,0,0,0|2,0,0]=3 108 B13R2.328 O=C1C=C(C2=CC=CC=C2O1)Cl CNP0571047.0 [0,1,0,0,0,0|2,0,0]=3 109 B13R2.328 O=C1C=C(C2=CC=CC=C2O1)O CNP0411974.0 [0,1,0,0,0,0|2,0,0]=3 110 B13R2.328 O=C1C=C(OC2=CC=CC=C12)O CNP0038758.0 [0,1,0,0,0,0|2,0,0]=3 111 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 CNP0028027.0 [0,1,0,0,0,0|2,0,1]=4 112 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 CNP0265654.0 [0,1,0,0,0,0|2,0,1]=4 113 B13R2.328 O=C1CC2=CC=CC=C2C(=S)N1 CNP0149436.0 [0,1,0,0,0,0|2,0,1]=4 114 B13R2.328 O=C1N=C(C2=CC=CC=C2O1)O CNP0459624.0 [0,1,0,0,0,0|3,0,0]=4 115 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 CNP0350009.0 [0,1,0,0,0,0|3,0,0]=4 116 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 CNP0468495.0 [0,1,0,0,0,0|3,0,0]=4 117 B13R2.328 OC1=CC(=C2C=CC=CC2=C1)O CNP0419188.0 [0,1,0,0,0,0|1,0,0]=2 118 B13R2.328 OC1=CC(=C2C=CC=CC2=N1)O CNP0532958.0 [0,1,0,0,0,0|2,0,0]=3 119 B13R2.328 OC1=NC(=C2C=CC=CC2=N1)O CNP0575131.0 [0,1,0,0,0,0|3,0,0]=4 120 B13R2.342 CC1=CC=CC2=C(C=CC=C12)C CNP0320342.0 [0,1,0,0,0,0|0,0,0]=1 121 B13R2.342 CC1=CC=CC2=C(C=CN=C12)N CNP0072689.0 [0,1,0,0,0,0|1,0,0]=2 122 B13R2.342 CC1=CC=CC2=C1CCNC2=O CNP0565003.0 [0,1,0,0,0,0|1,0,2]=4 123 B13R2.342 CC1=CC=NC2=C(C=CC=C12)C CNP0012516.0 [0,1,0,0,0,0|1,0,0]=2 124 B13R2.342 NC1=CC=CC2=C(C=CC=C12)N CNP0114519.0 [0,1,0,0,0,0|1,0,0]=2 125 B13R2.342 O=C1C=CNC2=C(C=CC=C12)O CNP0083510.0 [0,1,0,0,0,0|2,0,0]=3 126 B13R2.342 O=C1N=CNC2=C(C=CC=C12)O CNP0141168.0 [0,1,0,0,0,0|3,0,0]=4 127 B13R2.342 O=C1NC=CC2=C(C=CC=C12)O CNP0350172.0 [0,1,0,0,0,0|2,0,0]=3 128 B13R2.342 O=C1NC=NC2=C(C=CC=C12)O CNP0532432.0 [0,1,0,0,0,0|3,0,0]=4 129 B13R2.342 OC1=CC=CC2=C(C=CC=C12)O CNP0334152.0 [0,1,0,0,0,0|1,0,0]=2 130 B13R2.342 OC1=CC=NC2=C(C=CC=C12)O CNP0571389.0 [0,1,0,0,0,0|2,0,0]=3 131 B13R2.342 OC1=NC=NC2=C(C=CC=C12)O CNP0611150.0 [0,1,0,0,0,0|3,0,0]=4 132 B13R2.371 CC1=CC=C(C2=CC=CC=C12)C CNP0273844.0 [0,1,0,0,0,0|0,0,0]=1 133 B13R2.371 CC1=CC=C(C2=NC=CC=C12)C CNP0241527.0 [0,1,0,0,0,0|1,0,0]=2 134 B13R2.371 CC1=CN=[N+](C2=CC=CC=C12)[O-] CNP0555004.0 [0,1,0,0,0,0|2,0,0]=3 135 B13R2.371 CN1C=CC(=N)C2=CC=CC=C12 CNP0310941.0 [0,1,0,0,0,0|1,0,0]=2 136 B13R2.371 CN1C=CC(=O)C2=CC=CC=C12 CNP0296538.0 [0,1,0,0,0,0|1,0,0]=2 137 B13R2.371 CN1C=NC(=O)C2=CC=CC=C12 CNP0162462.0 [0,1,0,0,0,0|2,0,0]=3 138 B13R2.371 CN1CCC(=N)C2=CC=CC=C12 CNP0559627.0 [0,1,0,0,0,0|1,0,2]=4 139 B13R2.371 NC1=CC=C(C2=NC=CC=C12)O CNP0026017.0 [0,1,0,0,0,0|2,0,0]=3 140 B13R2.371 O=C1C=CC(=O)C2=CC=CC=C12 CNP0388462.0 [0,1,0,0,0,0|1,0,0]=2 141 B13R2.371 O=C1CCC(=O)C2=CC=CC=C12 CNP0436754.0 [0,1,0,0,0,0|1,0,2]=4 142 B13R2.371 OC1=CC=C(C2=CC=CC=C12)O CNP0330153.0 [0,1,0,0,0,0|1,0,0]=2 143 B13R2.371 OC1=CC=C(C2=CC=CN=C12)Cl CNP0125901.0 [0,1,0,0,0,0|2,0,0]=3 144 B13R2.371 [O-][N+]1=CC=[N+](C2=CC=CC=C12)[O-] CNP0512290.0 [0,1,0,0,0,0|3,0,0]=4 145 B13R2.1613 C=CC1=CC=CC2=CC=CC=C12 CNP0610151.0 [0,1,0,0,0,0|0,0,1]=2 146 B13R2.1613 COC1=CC=CC2=CC=CC=C12 CNP0299075.0 [0,1,0,0,0,0|0,0,0]=1 147 B13R2.1613 COC1=CC=NC2=CC=CC=C12 CNP0604679.0 [0,1,0,0,0,0|1,0,0]=2 148 B13R2.1613 COC1=NC=NC2=CC=CC=C12 CNP0260362.0 [0,1,0,0,0,0|2,0,0]=3 149 B13R2.1613 N#CC1=CC=CC2=CC=CC=C12 CNP0151223.0 [0,1,0,0,0,0|0,0,1]=2 150 B13R2.1613 N#CC1=CC=NC2=CC=CC=C12 CNP0277865.0 [0,1,0,0,0,0|1,0,1]=3 151 B13R2.1613 NN=C1NN=CC2=CC=CC=C12 CNP0588398.0 [0,1,0,0,0,0|3,0,0]=4 152 B13R2.1613 NNC1=NN=CC2=CC=CC=C12 CNP0263523.0 [0,1,0,0,0,0|3,0,0]=4 153 B13R2.1613 O=CC1=CC=CC2=CC=CC=C12 CNP0083426.0 [0,1,0,0,0,0|0,0,1]=2 154 B13R2.1613 O=CC1=CC=NC2=CC=CC=C12 CNP0294524.0 [0,1,0,0,0,0|1,0,1]=3 155 B13R2.1613 OCC1=CC=CC2=CC=CC=C12 CNP0083454.0 [0,1,0,0,0,0|0,0,0]=1 156 B13R2.1613 OCC1=CC=NC2=CC=CC=C12 CNP0373245.0 [0,1,0,0,0,0|1,0,0]=2 157 B13R2.4818 CC1=CC=CC2=CC=CC(=C12)C CNP0076588.0 [0,1,0,0,0,0|0,0,0]=1 158 B13R2.4818 IC1=CC=CC2=CC=CC(=C12)I CNP0445306.0 [0,1,0,0,0,0|1,0,0]=2 159 B13R2.4818 O=C1C=COC2=CC=CC(=C12)O CNP0554841.0 [0,1,0,0,0,0|2,0,0]=3 160 B13R2.4818 O=C1OC=CC2=C1C(=O)OC=C2 CNP0589710.0 [0,1,0,0,0,0|3,0,0]=4 161 B13R2.4818 OC1=CC=CC2=CC=CC(=C12)O CNP0137191.0 [0,1,0,0,0,0|1,0,0]=2 162 B13R2.5179 CC1=CC=C2C(=CC=CC2=C1)C CNP0218793.0 [0,1,0,0,0,0|0,0,0]=1 163 B13R2.5179 CC1=CC=C2C(=CC=CC2=N1)N CNP0067447.0 [0,1,0,0,0,0|2,0,0]=3 164 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)C CNP0312669.0 [0,1,0,0,0,0|1,0,0]=2 165 B13R2.5179 CC1=CC=C2C(=CC=NC2=C1)N CNP0564606.0 [0,1,0,0,0,0|2,0,0]=3 166 B13R2.5179 CC1=CC=C2C(=CC=[NH+]C2=C1)N CNP0510949.0 [0,1,0,0,0,0|2,0,0]=3 167 B13R2.5179 CC1=CC=CC2=C1C=CC(=O)O2 CNP0140551.0 [0,1,0,0,0,0|1,0,0]=2 168 B13R2.5179 C[C@@H]1C=CC2=C(C=CC=C2O1)O CNP0527245.1 [0,1,0,0,0,0|2,0,1]=4 169 B13R2.5179 ClC1=CC=C2C(=CC=NC2=C1)Cl CNP0346227.0 [0,1,0,0,0,0|2,0,0]=3 170 B13R2.5179 O=C1C=CC2=C(C=CC=C2O1)O CNP0306022.0 [0,1,0,0,0,0|2,0,0]=3 171 B13R2.5179 O=C1C=CNC2=CC(=CC=C12)Br CNP0429079.0 [0,1,0,0,0,0|2,0,0]=3 172 B13R2.5179 O=C1C=CNC2=CC(=CC=C12)Cl CNP0587685.0 [0,1,0,0,0,0|2,0,0]=3 173 B13R2.5179 O=C1C=COC2=CC(=CC=C12)O CNP0338956.0 [0,1,0,0,0,0|2,0,0]=3 174 B13R2.5179 OC1=CC=C2C(=CC=CC2=C1)O CNP0265937.0 [0,1,0,0,0,0|1,0,0]=2 175 B13R2.5179 OC1=CN=C2C(=CC=CC2=C1)O CNP0265313.0 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.13 C=CCC1=CC=CC(=C1O)C CNP0326275.0 [0,0,1,0,0,0|1,0,1]=3 177 B11R1.13 C=CCC1=CC=CC(=C1O)O CNP0228309.0 [0,0,1,0,0,0|2,0,1]=4 178 B11R1.13 CC1=CC=CC(=C1N)OC=O CNP0301878.0 [0,0,1,0,0,0|3,0,0]=4 179 B11R1.16 C=CC[C@@H](O)C1=CC=CC=C1 CNP0109551.2 [0,0,1,0,0,0|1,0,2]=4 180 B11R1.16 C=CC[C@H](O)C1=CC=CC=C1 CNP0109551.1 [0,0,1,0,0,0|1,0,2]=4 181 B11R1.16 C=COC(=O)C1=CC=CC=C1 CNP0083042.0 [0,0,1,0,0,0|2,0,0]=3 182 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [0,0,1,0,0,0|1,0,2]=4 183 B11R1.16 CC(OC=O)C1=CC=CC=C1 CNP0002788.0 [0,0,1,0,0,0|2,0,1]=4 184 B11R1.16 CN(NC=O)C1=CC=CC=C1 CNP0145841.0 [0,0,1,0,0,0|3,0,0]=4 185 B11R1.16 O=CC=C(O)C1=CC=CC=C1 CNP0460454.0 [0,0,1,0,0,0|2,0,0]=3 186 B11R1.16 O=CNC(=O)C1=CC=CC=C1 CNP0535668.0 [0,0,1,0,0,0|3,0,0]=4 187 B11R1.17 C=CCOC1=CC=CC=C1O CNP0343485.0 [0,0,1,0,0,0|2,0,1]=4 188 B11R1.17 CC1=CC=CC=C1COC=O CNP0058741.0 [0,0,1,0,0,0|2,0,1]=4 189 B11R1.17 O=CC=CC1=CC=CC=C1O CNP0237654.0 [0,0,1,0,0,0|2,0,0]=3 190 B11R1.28 C=CC=CCC1=CC=CC=C1 CNP0601379.0 [0,0,1,0,0,0|0,0,2]=3 191 B11R1.28 CC=CC=CC1=CC=CC=N1 CNP0080784.0 [0,0,1,0,0,0|1,0,0]=2 192 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [0,0,1,0,0,0|0,0,2]=3 193 B11R1.28 CC=CCCC1=CC=CC=N1 CNP0080786.0 [0,0,1,0,0,0|1,0,2]=4 194 B11R1.28 CCC=NNC1=CC=CC=C1 CNP0413398.0 [0,0,1,0,0,0|2,0,1]=4 195 B11R1.28 CCCC=CC1=CC=CC=C1 CNP0133408.0 [0,0,1,0,0,0|0,0,2]=3 196 B11R1.28 CNCC=CC1=CC=CC=C1 CNP0268805.0 [0,0,1,0,0,0|1,0,1]=3 197 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [0,0,1,0,0,0|1,0,1]=3 198 B11R1.28 ON=CC=CC1=CC=CC=C1 CNP0222067.0 [0,0,1,0,0,0|2,0,0]=3 199 B11R1.28 S=CC=NCC1=CC=CC=C1 CNP0397095.0 [0,0,1,0,0,0|2,0,1]=4 200 B11R1.53 C=C(C)C1=CC=CC=C1CO CNP0577541.0 [0,0,1,0,0,0|1,0,1]=3 201 B11R1.53 C=C(C)C1=CC=CC=C1OC CNP0134279.0 [0,0,1,0,0,0|1,0,1]=3 202 B11R1.53 CC(=O)C1=CC=CC=C1NO CNP0493046.0 [0,0,1,0,0,0|3,0,0]=4 203 B11R1.53 CC(C)C1=CC=CC=C1C=O CNP0492852.0 [0,0,1,0,0,0|1,0,2]=4 204 B11R1.53 O=CC1=CC=CC=C1C(=O)O CNP0610125.0 [0,0,1,0,0,0|3,0,0]=4 205 B11R1.222 CC(=NO)C1=CC=CC=C1N CNP0306135.0 [0,0,1,0,0,0|3,0,0]=4 206 B11R1.265 COC1=CC=CC(=C1C=O)C CNP0303374.0 [0,0,1,0,0,0|2,0,1]=4 207 B11R1.265 O=CC1=CC=CC(=C1C=O)O CNP0288393.0 [0,0,1,0,0,0|3,0,0]=4 208 B11R1.605 CC1=C(C(=O)C=CO1)C=CO CNP0337481.0 [0,0,1,0,0,0|3,0,0]=4 209 B13R3.28 C1=CC=C2C3=C(C3)C=CC2=C1 CNP0606380.0 [0,0,0,1,0,0|0,0,0]=1 210 B13R3.28 C1=CC=C2C3=C(O3)C=CC2=C1 CNP0085849.0 [0,0,0,1,0,0|1,0,0]=2 211 B13R3.28 C1=C[C@@H]2O[C@@H]2C3=CC=CC=C31 CNP0083780.1 [0,0,0,1,0,0|1,0,2]=4 212 B13R3.28 C1=C[C@H]2O[C@H]2C3=CC=CC=C31 CNP0083780.2 [0,0,0,1,0,0|1,0,2]=4 213 B13R3.1962 C1=CC2CC1C3=CC=CC=C23 CNP0581177.0 [0,0,0,1,0,0|0,0,2]=3 214 B13R3.1962 C1=C[C@@H]2O[C@@H]1C3=CC=CC=C23 CNP0042340.2 [0,0,0,1,0,0|1,0,2]=4 215 B13R3.1962 C1=C[C@H]2O[C@@H]1C3=CC=CC=C23 CNP0042340.1 [0,0,0,1,0,0|1,0,2]=4 216 B11R2.1 BrC1=C2C=CC=CN2N=C1 CNP0121314.0 [0,0,0,0,1,0|3,0,0]=4 217 B11R2.1 BrC1=CN=C2N1C=CC=C2 CNP0437961.0 [0,0,0,0,1,0|3,0,0]=4 218 B11R2.1 BrC1=CNC2=CC=CC=C12 CNP0206140.0 [0,0,0,0,1,0|2,0,0]=3 219 B11R2.1 BrC1=CSC2=CC=CC=C12 CNP0467720.0 [0,0,0,0,1,0|2,0,0]=3 220 B11R2.1 C=C1C=CC2=CC=CC=C12 CNP0560850.0 [0,0,0,0,1,0|0,0,1]=2 221 B11R2.1 C=C1C=NC2=CC=CC=C12 CNP0049672.0 [0,0,0,0,1,0|1,0,1]=3 222 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [0,0,0,0,1,0|0,0,1]=2 223 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [0,0,0,0,1,0|1,0,0]=2 224 B11R2.1 CC1=CNC2=CC=CN=C12 CNP0018040.0 [0,0,0,0,1,0|2,0,0]=3 225 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [0,0,0,0,1,0|1,0,0]=2 226 B11R2.1 CC1C=CC2=NC=CN=C12 CNP0348713.0 [0,0,0,0,1,0|2,0,1]=4 227 B11R2.1 CN1N=CC2=CC=CN=C12 CNP0063093.0 [0,0,0,0,1,0|3,0,0]=4 228 B11R2.1 CN1N=NC2=CC=CC=C12 CNP0059083.0 [0,0,0,0,1,0|3,0,0]=4 229 B11R2.1 C[C@@H]1C=CC2=CC=CC=C12 CNP0066516.2 [0,0,0,0,1,0|0,0,1]=2 230 B11R2.1 C[C@H]1C=CC2=CC=CC=C12 CNP0066516.1 [0,0,0,0,1,0|0,0,1]=2 231 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [0,0,0,0,1,0|0,0,3]=4 232 B11R2.1 ClC1=CNC2=CC=CC=C12 CNP0395645.0 [0,0,0,0,1,0|2,0,0]=3 233 B11R2.1 NC1=CNC2=CC=CC=C12 CNP0109824.0 [0,0,0,0,1,0|2,0,0]=3 234 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [0,0,0,0,1,0|2,0,1]=4 235 B11R2.1 NC1=NSC2=CC=CC=C12 CNP0506740.0 [0,0,0,0,1,0|3,0,0]=4 236 B11R2.1 NC1=[NH+]CC2=CC=CC=C12 CNP0601327.0 [0,0,0,0,1,0|2,0,1]=4 237 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [0,0,0,0,1,0|2,0,0]=3 238 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [0,0,0,0,1,0|1,0,2]=4 239 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [0,0,0,0,1,0|2,0,1]=4 240 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [0,0,0,0,1,0|2,0,1]=4 241 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [0,0,0,0,1,0|2,0,0]=3 242 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [0,0,0,0,1,0|2,0,1]=4 243 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [0,0,0,0,1,0|3,0,0]=4 244 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [0,0,0,0,1,0|2,0,1]=4 245 B11R2.1 OC1=CNC2=CC=CC=C12 CNP0133122.0 [0,0,0,0,1,0|2,0,0]=3 246 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [0,0,0,0,1,0|2,0,1]=4 247 B11R2.1 OC1=NOC2=CC=CC=C12 CNP0079924.0 [0,0,0,0,1,0|3,0,0]=4 248 B11R2.106 CC1=CC=CC2=C1C=CC2 CNP0382837.0 [0,0,0,0,1,0|0,0,1]=2 249 B11R2.106 CC1=CC=CC2=C1C=CN2 CNP0104005.0 [0,0,0,0,1,0|1,0,0]=2 250 B11R2.106 CC1=CC=CC2=C1C=CO2 CNP0141148.0 [0,0,0,0,1,0|1,0,0]=2 251 B11R2.106 CC1=CC=CC2=C1CCC2 CNP0306723.0 [0,0,0,0,1,0|0,0,3]=4 252 B11R2.106 CC1=CC=CC2=C1NC=C2 CNP0319116.0 [0,0,0,0,1,0|1,0,0]=2 253 B11R2.106 CC1=CN=CC2=CC=CN12 CNP0234454.0 [0,0,0,0,1,0|2,0,0]=3 254 B11R2.106 CC1=NC=CN2C1=CC=C2 CNP0324548.0 [0,0,0,0,1,0|2,0,0]=3 255 B11R2.106 OC1=CC=CC2=C1C=CN2 CNP0120975.0 [0,0,0,0,1,0|2,0,0]=3 256 B11R2.106 OC1=CC=CC2=C1C=CO2 CNP0278370.0 [0,0,0,0,1,0|2,0,0]=3 257 B13R2.4820 OC1=CC=CC2=C1COCC=C2 CNP0301840.0 [0,0,0,0,0,1|1,0,2]=4 258 B10R1.2 CC1=CC=CC(=C1C)C=O CNP0501818.0 [1,0,1,0,0,0|1,0,1]=4 259 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [1,0,1,0,0,0|0,0,1]=3 260 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [1,0,1,0,0,0|1,0,1]=4 261 B10R1.4 C=COC1=CC=CC=C1C CNP0434355.0 [1,0,1,0,0,0|1,0,0]=3 262 B10R1.4 CC1=CC=CC=C1NC=O CNP0055612.0 [1,0,1,0,0,0|2,0,0]=4 263 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [1,0,1,0,0,0|1,0,1]=4 264 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [1,0,1,0,0,0|0,0,1]=3 265 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [1,0,1,0,0,0|1,0,0]=3 266 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [1,0,1,0,0,0|1,0,1]=4 267 B10R1.15 C=C[S@+]([O-])C1=CC=CC=C1 CNP0518074.1 [1,0,1,0,0,0|2,0,0]=4 268 B10R1.15 C=C[S@H+]([O-])C1=CC=CC=C1 CNP0479535.1 [1,0,1,0,0,0|2,0,0]=4 269 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [1,0,1,0,0,0|2,0,0]=4 270 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [1,0,1,0,0,0|1,0,1]=4 271 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [1,0,1,0,0,0|0,0,1]=3 272 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [1,0,1,0,0,0|2,0,0]=4 273 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [1,0,1,0,0,0|2,0,0]=4 274 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [1,0,1,0,0,0|2,0,0]=4 275 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [1,0,1,0,0,0|0,0,2]=4 276 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [1,0,1,0,0,0|1,0,1]=4 277 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [1,0,1,0,0,0|1,0,1]=4 278 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [1,0,1,0,0,0|0,0,1]=3 279 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [1,0,1,0,0,0|0,0,1]=3 280 B10R1.17 N#CC=CC1=CC=CC=C1 CNP0156189.0 [1,0,1,0,0,0|1,0,1]=4 281 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [1,0,1,0,0,0|1,0,1]=4 282 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [1,0,1,0,0,0|1,0,0]=3 283 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [1,0,1,0,0,0|1,0,1]=4 284 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [1,0,1,0,0,0|2,0,0]=4 285 B10R1.20 C=CC1=CC=CC=C1OC CNP0201512.0 [1,0,1,0,0,0|1,0,0]=3 286 B10R1.20 CCC1=CC=CC=C1C=O CNP0565429.0 [1,0,1,0,0,0|1,0,1]=4 287 B10R1.20 CNC1=CC=CC=C1C=O CNP0169354.0 [1,0,1,0,0,0|2,0,0]=4 288 B10R1.20 COC1=CC=CC=C1C=O CNP0183883.0 [1,0,1,0,0,0|2,0,0]=4 289 B10R1.20 O=CC1=CC=CC=C1C=O CNP0478589.0 [1,0,1,0,0,0|2,0,0]=4 290 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [1,0,1,0,0,0|0,0,1]=3 291 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [1,0,1,0,0,0|1,0,1]=4 292 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [1,0,1,0,0,0|2,0,0]=4 293 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [1,0,1,0,0,0|2,0,0]=4 294 B10R1.245 CC1=CC=CC(=C1C=O)C CNP0561651.0 [1,0,1,0,0,0|1,0,1]=4 295 B10R1.245 CC1=CC=CC(=C1C=O)O CNP0298218.0 [1,0,1,0,0,0|2,0,0]=4 296 B12R1.280 C=CCC1=CC=CC(=C1O)OC CNP0181574.0 [0,1,1,0,0,0|1,0,1]=4 297 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 CNP0100792.0 [0,1,1,0,0,0|1,0,1]=4 298 B12R1.30 CCC=CC(=O)C1=CC=CC=C1 CNP0126866.0 [0,1,1,0,0,0|1,0,1]=4 299 B12R1.30 CNC=CC(=O)C1=CC=CC=C1 CNP0043967.0 [0,1,1,0,0,0|1,0,1]=4 300 B12R1.34 CC(=CN)C(=O)C1=CC=CC=C1 CNP0136929.0 [0,1,1,0,0,0|2,0,0]=4 301 B12R1.107 CC(=CC(=O)C1=CC=CC=C1)N CNP0032196.0 [0,1,1,0,0,0|1,0,1]=4 302 B12R1.121 COC1=CC=CC=C1C=CC#N CNP0211278.0 [0,1,1,0,0,0|1,0,1]=4 303 B12R1.121 COC1=CC=CC=C1C=CC=O CNP0147071.0 [0,1,1,0,0,0|1,0,0]=3 304 B12R1.125 CC(=O)C=CC1=CC=CC=C1O CNP0537172.0 [0,1,1,0,0,0|1,0,1]=4 305 B12R1.125 CC1=CC=CC=C1C=CC(=O)N CNP0278078.0 [0,1,1,0,0,0|1,0,0]=3 306 B12R1.125 CC1=CC=CC=C1C=CC(=O)O CNP0254758.0 [0,1,1,0,0,0|1,0,0]=3 307 B12R1.125 CC1=CC=NC=C1C=CC(=O)O CNP0467544.0 [0,1,1,0,0,0|2,0,0]=4 308 B12R1.125 NC1=CC=CC=C1C=CC(=O)O CNP0453465.0 [0,1,1,0,0,0|2,0,0]=4 309 B12R1.125 O=C(O)C=CC1=CC=CC=C1Cl CNP0576243.0 [0,1,1,0,0,0|2,0,0]=4 310 B12R1.125 O=C(O)C=CC1=CC=CC=C1O CNP0207361.0 [0,1,1,0,0,0|2,0,0]=4 311 B12R1.28 CC=CC=CC1=CC=CC(=O)O1 CNP0526558.0 [0,1,1,0,0,0|2,0,0]=4 312 B12R1.28 O=CC=COC1=CC=CC(=C1)O CNP0162512.0 [0,1,1,0,0,0|2,0,0]=4 313 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br CNP0574767.0 [0,1,1,0,0,0|2,0,0]=4 314 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Cl CNP0394142.0 [0,1,1,0,0,0|2,0,0]=4 315 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)O CNP0335428.0 [0,1,1,0,0,0|2,0,0]=4 316 B12R1.385 O=CC=CC1=CC=C(C(=C1)O)O CNP0169964.0 [0,1,1,0,0,0|2,0,0]=4 317 B12R1.1 CC=CCOC1=CC=C(C=C1)O CNP0425430.0 [0,1,1,0,0,0|1,0,1]=4 318 B12R1.1 COCC=CC1=CC=C(C=C1)O CNP0284684.0 [0,1,1,0,0,0|1,0,1]=4 319 B12R1.1 O=CNC=CC1=CC=C(C=C1)O CNP0570685.0 [0,1,1,0,0,0|2,0,0]=4 320 B12R1.8 CC#CC=CCC1=CC=CC=C1 CNP0173717.0 [0,1,1,0,0,0|0,0,2]=4 321 B12R1.8 CC=CC#CCC1=CC=CC=C1 CNP0266178.0 [0,1,1,0,0,0|0,0,2]=4 322 B12R1.8 CC=CC=CCC1=CC=CC=C1 CNP0076593.0 [0,1,1,0,0,0|0,0,0]=2 323 B12R1.8 O=CC=CC=CC1=CC=CC=C1 CNP0470167.0 [0,1,1,0,0,0|0,0,1]=3 324 B12R1.8 O=COCC=CC1=CC=CC=C1 CNP0186643.0 [0,1,1,0,0,0|1,0,1]=4 325 B12R1.27 CC(=NO)C=CC1=CC=CC=C1 CNP0073914.0 [0,1,1,0,0,0|2,0,0]=4 326 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [0,1,1,0,0,0|1,0,0]=3 327 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,1,1,0,0,0|1,0,0]=3 328 B12R1.27 COC(=O)C=CC1=CC=CN=C1 CNP0057404.0 [0,1,1,0,0,0|2,0,0]=4 329 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [0,1,1,0,0,0|2,0,0]=4 330 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [0,1,1,0,0,0|0,0,2]=4 331 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 CNP0071032.0 [0,1,1,0,0,0|2,0,0]=4 332 B12R1.252 NC(=O)CC=CC1=CC=CC=C1 CNP0073923.0 [0,1,1,0,0,0|1,0,1]=4 333 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 CNP0242436.0 [0,1,1,0,0,0|1,0,1]=4 334 B12R1.283 C=CCC1=CC=CC=C1C(=O)O CNP0462154.0 [0,1,1,0,0,0|1,0,1]=4 335 B12R1.283 CC=CC1=CC=CC=C1C(=O)O CNP0476960.0 [0,1,1,0,0,0|1,0,1]=4 336 B12R1.57 C=C(C)C1=CC=C(C=C1OC)C CNP0333087.0 [0,1,1,0,0,0|1,0,1]=4 337 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O CNP0538877.0 [0,1,1,0,0,0|2,0,0]=4 338 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CNP0140727.0 [1,1,0,0,0,0|1,0,0]=3 339 B12R2.24 CC1=CC=C2C=CC=CC2=C1 CNP0213194.0 [1,1,0,0,0,0|0,0,0]=2 340 B12R2.24 CC1=CC=C2C=CC=CC2=N1 CNP0281354.0 [1,1,0,0,0,0|1,0,0]=3 341 B12R2.24 CC1=CC=C2C=CC=NC2=C1 CNP0141465.0 [1,1,0,0,0,0|1,0,0]=3 342 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CNP0266426.0 [1,1,0,0,0,0|1,0,0]=3 343 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CNP0300772.0 [1,1,0,0,0,0|1,0,0]=3 344 B12R2.24 CC1=CC=C2N=CC=NC2=C1 CNP0194351.0 [1,1,0,0,0,0|2,0,0]=4 345 B12R2.24 CC1=CN=C2C=CC=CC2=C1 CNP0281887.0 [1,1,0,0,0,0|1,0,0]=3 346 B12R2.24 CC1=CN=C2C=CC=CC2=N1 CNP0280946.0 [1,1,0,0,0,0|2,0,0]=4 347 B12R2.24 CC1=CN=C2N=CC=CC2=C1 CNP0538871.0 [1,1,0,0,0,0|2,0,0]=4 348 B12R2.24 C[N+]1=CC=C2C=CC=CC2=C1 CNP0516094.0 [1,1,0,0,0,0|1,0,0]=3 349 B12R2.24 ClC1=CC=C2C=CC=CC2=N1 CNP0033055.0 [1,1,0,0,0,0|1,0,0]=3 350 B12R2.24 NC1=CC=C2C=CC=CC2=C1 CNP0262883.0 [1,1,0,0,0,0|0,0,0]=2 351 B12R2.24 NC1=CC=C2C=CC=CC2=N1 CNP0246278.0 [1,1,0,0,0,0|1,0,0]=3 352 B12R2.24 NC1=CC=C2N=CC=CC2=C1 CNP0060887.0 [1,1,0,0,0,0|1,0,0]=3 353 B12R2.24 NC1=CN=C2C=CC=CC2=C1 CNP0222196.0 [1,1,0,0,0,0|1,0,0]=3 354 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [1,1,0,0,0,0|0,0,1]=3 355 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CNP0583881.0 [1,1,0,0,0,0|1,0,0]=3 356 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CNP0225025.0 [1,1,0,0,0,0|1,0,0]=3 357 B12R2.24 O=C1N=CC2=CC=CC=C2N1 CNP0169726.0 [1,1,0,0,0,0|2,0,0]=4 358 B12R2.24 OC1=CC=C2C=CC=CC2=C1 CNP0320773.0 [1,1,0,0,0,0|0,0,0]=2 359 B12R2.24 OC1=CC=C2C=CC=CC2=N1 CNP0325103.0 [1,1,0,0,0,0|1,0,0]=3 360 B12R2.24 OC1=CC=C2OCC=CC2=C1 CNP0535758.0 [1,1,0,0,0,0|1,0,1]=4 361 B12R2.24 OC1=CN=C2C=CC=CC2=C1 CNP0597819.0 [1,1,0,0,0,0|1,0,0]=3 362 B12R2.24 OC1=NC=C2C=CC=CC2=N1 CNP0582642.0 [1,1,0,0,0,0|2,0,0]=4 363 B12R2.24 SC1=CC=C2C=CC=CC2=C1 CNP0003640.0 [1,1,0,0,0,0|0,0,0]=2 364 B12R2.24 [11CH3]C1=CC=C2C=CC=CC2=C1 CNP0527809.0 [1,1,0,0,0,0|0,0,0]=2 365 B12R2.1 CC=C1C=CC2=CC=CC=C12 CNP0565828.0 [0,1,0,0,1,0|0,0,0]=2 366 B12R2.1 CCC1=CNC2=CC=CC=C12 CNP0424454.0 [0,1,0,0,1,0|1,0,0]=3 367 B12R2.1 COC1=CCC2=CC=CC=C12 CNP0054465.0 [0,1,0,0,1,0|0,0,1]=3 368 B12R2.1 N#CC1=CNC2=CC=CC=C12 CNP0266284.0 [0,1,0,0,1,0|1,0,1]=4 369 B12R2.1 NCC1=CNC2=CC=CC=C12 CNP0174270.0 [0,1,0,0,1,0|1,0,0]=3 370 B12R2.1 O=CC1=CC=C2C1=COC=C2 CNP0236522.0 [0,1,0,0,1,0|1,0,1]=4 371 B12R2.1 O=CC1=CNC2=CC=CC=C12 CNP0123546.0 [0,1,0,0,1,0|1,0,1]=4 372 B12R2.1 OCC1=CC=C2C1=COC=C2 CNP0300361.0 [0,1,0,0,1,0|1,0,0]=3 373 B12R2.1 OCC1=CNC2=CC=CC=C12 CNP0106378.0 [0,1,0,0,1,0|1,0,0]=3 374 B12R2.18 C=C1C(=O)NC2=CC=CC=C12 CNP0030308.0 [0,1,0,0,1,0|1,0,1]=4 375 B12R2.18 CC1=C(C2=CC=CC=C2C1)C CNP0191084.0 [0,1,0,0,1,0|0,0,1]=3 376 B12R2.18 CC1=C(C2=CC=CC=C2O1)C CNP0053297.0 [0,1,0,0,1,0|1,0,0]=3 377 B12R2.18 CC1=C(NC2=CN=CC=C12)N CNP0345607.0 [0,1,0,0,1,0|2,0,0]=4 378 B12R2.18 CC1=C2C=COC=C2OC1=O CNP0206179.0 [0,1,0,0,1,0|2,0,0]=4 379 B12R2.18 CC1=CC2=CC=CC=C2[C@@H]1O CNP0325411.2 [0,1,0,0,1,0|1,0,1]=4 380 B12R2.18 CC1=CC2=CC=CC=C2[C@H]1O CNP0325411.1 [0,1,0,0,1,0|1,0,1]=4 381 B12R2.18 CN1C(=NC2=CC=CC=C12)N CNP0056889.0 [0,1,0,0,1,0|2,0,0]=4 382 B12R2.18 CN1C(=O)CC2=CC=CC=C12 CNP0182982.0 [0,1,0,0,1,0|1,0,1]=4 383 B12R2.18 CN1C(=O)OC2=CC=CC=C12 CNP0555396.0 [0,1,0,0,1,0|2,0,0]=4 384 B12R2.18 CN1C(=S)SC2=CC=CC=C12 CNP0018105.0 [0,1,0,0,1,0|2,0,0]=4 385 B12R2.18 C[C@@H]1C(=NC2=CC=CC=C12)O CNP0479442.1 [0,1,0,0,1,0|1,0,1]=4 386 B12R2.18 C[C@@H]1C(=O)NC2=CC=CC=C12 CNP0235439.1 [0,1,0,0,1,0|1,0,1]=4 387 B12R2.18 O=C1C(=NC2=CC=CC=C12)O CNP0512501.0 [0,1,0,0,1,0|2,0,0]=4 388 B12R2.18 O=C1NC2=CC=CC=C2C1=O CNP0320767.0 [0,1,0,0,1,0|2,0,0]=4 389 B12R2.18 OC1=C(C2=CC=CC=C2N1)O CNP0017813.0 [0,1,0,0,1,0|2,0,0]=4 390 B12R2.132 CC1=CC=C2C=NN(C2=C1)C CNP0609157.0 [0,1,0,0,1,0|2,0,0]=4 391 B12R2.203 CC1=CC=CC2=CC=C(N12)C CNP0494193.0 [0,1,0,0,1,0|1,0,0]=3 392 B12R2.203 CC1=CNC2=CC=CC(=C12)O CNP0370615.0 [0,1,0,0,1,0|1,0,0]=3 393 B12R2.612 BrC1=CC=C2C(=CNC2=C1)Br CNP0136142.0 [0,1,0,0,1,0|2,0,0]=4 394 B12R2.612 CC1=CC2=NNC(=C2C=C1)C CNP0075999.0 [0,1,0,0,1,0|2,0,0]=4 395 B12R2.612 ClC1=CNC2=CC(=CC=C12)Br CNP0400940.0 [0,1,0,0,1,0|2,0,0]=4 396 B12R2.2028 CC1=C[C@@H](C2=CC=CC=C12)O CNP0298854.1 [0,1,0,0,1,0|0,0,1]=3 397 B12R2.2028 CC1=C[C@H](C2=CC=CC=C12)O CNP0298854.2 [0,1,0,0,1,0|0,0,1]=3 398 B12R2.2028 CC1C=C(C2=CC=NC=C12)O CNP0075839.0 [0,1,0,0,1,0|1,0,1]=4 399 B12R2.2028 C[C@@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.2 [0,1,0,0,1,0|0,0,1]=3 400 B12R2.2028 C[C@@H]1CC(=O)C2=CC=CC=C12 CNP0276144.2 [0,1,0,0,1,0|0,0,2]=4 401 B12R2.2028 C[C@H]1C=C(C2=CC=CC=C12)Cl CNP0029836.1 [0,1,0,0,1,0|0,0,1]=3 402 B12R2.2028 C[C@H]1CC(=O)C2=CC=CC=C12 CNP0276144.1 [0,1,0,0,1,0|0,0,2]=4 403 B12R2.2028 O=C1C=[N+](C2=CC=CC=C12)[O-] CNP0507370.0 [0,1,0,0,1,0|2,0,0]=4 404 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 CNP0332462.0 [0,1,0,0,1,0|2,0,0]=4 405 B12R2.2028 O=C1SC(=O)C2=CC=CC=C12 CNP0455995.0 [0,1,0,0,1,0|2,0,0]=4 406 B12R2.2403 CC1(C=CC2=CC=CC=C12)C CNP0024865.0 [0,1,0,0,1,0|0,0,1]=3 407 B12R2.2403 CC1(C=NC2=CC=CC=C12)C CNP0037740.0 [0,1,0,0,1,0|1,0,1]=4 408 B12R2.82 CC1=C(N2C=CC=C2C=N1)C CNP0185116.0 [0,1,0,0,1,0|2,0,0]=4 409 B12R2.82 CC1=CC=C2OC=CC2=C1C CNP0353341.0 [0,1,0,0,1,0|1,0,0]=3 410 B12R2.82 CC1=[N+](C=CN2C1=CC=C2)C CNP0523025.0 [0,1,0,0,1,0|2,0,0]=4 411 B12R2.202 CC1=C2OC(=O)C=C2C=CO1 CNP0534449.0 [0,1,0,0,1,0|2,0,0]=4 412 B12R2.202 CC1=CC2=C(C=CC=C2N1)C CNP0325011.0 [0,1,0,0,1,0|1,0,0]=3 413 B12R2.221 CC1=CC=C(C2=C1C=CO2)C CNP0124753.0 [0,1,0,0,1,0|1,0,0]=3 414 B12R2.221 CC1=NC=C(N2C1=CC=C2)C CNP0234183.0 [0,1,0,0,1,0|2,0,0]=4 415 B12R2.246 BrC1=CC(=C2C=CNC2=C1)Br CNP0292890.0 [0,1,0,0,1,0|2,0,0]=4 416 B12R2.246 CC1=CC(=C2NN=CC2=C1)C CNP0176125.0 [0,1,0,0,1,0|2,0,0]=4 417 B12R2.246 CC1=CC(=C2OC=CC2=C1)C CNP0283975.0 [0,1,0,0,1,0|1,0,0]=3 418 B12R2.246 CC1=CC(=O)OC2=C1OC=C2 CNP0311589.0 [0,1,0,0,1,0|2,0,0]=4 419 B12R2.246 CC1=CN2C=CC=C2C(=N1)C CNP0323235.0 [0,1,0,0,1,0|2,0,0]=4 420 B12R2.246 OC1=CC(=C2C=CNC2=C1)O CNP0341994.0 [0,1,0,0,1,0|2,0,0]=4 421 B12R2.315 COC1=CC=CC2=C1C=CN2 CNP0505949.0 [0,1,0,0,1,0|1,0,0]=3 422 B12R2.315 O=CC1=CC=CC2=C1C=CN2 CNP0081672.0 [0,1,0,0,1,0|1,0,1]=4 423 B12R2.315 O=CC1=CC=CC2=C1NC=C2 CNP0381705.0 [0,1,0,0,1,0|1,0,1]=4 424 B12R2.315 OCC1=CC=CC2=C1NC=C2 CNP0117709.0 [0,1,0,0,1,0|1,0,0]=3 425 B12R2.315 OCC1=NC=CC2=C1C=CN2 CNP0539608.0 [0,1,0,0,1,0|2,0,0]=4 426 B14R2.738 CC1=NC2=CC=CC=C2N=C(C1)C CNP0258064.0 [0,1,0,0,0,1|1,0,1]=4 427 B14R2.741 CC1=CC2=CC=CC=C2C=CC1=O CNP0042113.0 [0,1,0,0,0,1|0,0,0]=2 428 B14R2.741 CC1=CC2=CC=CC=C2C=C[C@@H]1O CNP0070696.1 [0,1,0,0,0,1|0,0,1]=3 429 B14R2.741 CC1=CC2=CC=CC=C2C=C[C@H]1O CNP0070696.2 [0,1,0,0,0,1|0,0,1]=3 430 B14R2.603 O=C1C=CC=C2CC1=CC=CC2=O CNP0024843.0 [0,1,0,0,0,1|1,0,0]=3 431 B14R2.5632 O=C1C=CC2=CC=CC(=C2CO1)O CNP0282456.0 [0,1,0,0,0,1|1,0,1]=4 432 B14R2.92 COC1=CC=C2C=CC=CC2=C1C CNP0031037.0 [0,2,0,0,0,0|0,0,0]=2 433 B14R2.92 N#CC1=COC2=CC=CC=C2C1=O CNP0148891.0 [0,2,0,0,0,0|2,0,0]=4 434 B14R2.92 O=CC1=COC2=CC=CC=C2C1=O CNP0123647.0 [0,2,0,0,0,0|2,0,0]=4 435 B14R2.203 CCC1=C(C=CC2=CC=CC=C12)C CNP0567644.0 [0,2,0,0,0,0|0,0,0]=2 436 B14R2.203 NCC1=C(C=CC2=CC=CC=C12)O CNP0452658.0 [0,2,0,0,0,0|0,0,0]=2 437 B14R2.203 O=CC1=C(C=CC2=CC=CC=C12)O CNP0041661.0 [0,2,0,0,0,0|0,0,1]=3 438 B14R2.203 O=NC1=C(C=CC2=CC=CC=C12)O CNP0362281.0 [0,2,0,0,0,0|1,0,0]=3 439 B14R2.203 OCC1=C(C=NC2=CC=CC=C12)O CNP0114590.0 [0,2,0,0,0,0|1,0,0]=3 440 B14R2.4513 CC1=CC=C2OC=C(C(=O)C2=C1)C CNP0172933.0 [0,2,0,0,0,0|2,0,0]=4 441 B14R2.4513 O=C1C(=COC2=CC=C(C=C12)Br)Br CNP0381071.0 [0,2,0,0,0,0|2,0,0]=4 442 B14R2.4513 O=C1C(=COC2=CC=C(C=C12)Cl)Br CNP0100364.0 [0,2,0,0,0,0|2,0,0]=4 443 B14R2.4513 O=C1C=CC2=CC=C(C(=C2O1)O)O CNP0205963.0 [0,2,0,0,0,0|2,0,0]=4 444 B14R2.7724 CC1=CC(=C2C=CC=CC2=C1O)N CNP0334082.0 [0,2,0,0,0,0|1,0,0]=3 445 B14R2.7724 CC1=CC(=C2C=CC=CC2=C1O)O CNP0126836.0 [0,2,0,0,0,0|1,0,0]=3 446 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O CNP0289736.0 [0,2,0,0,0,0|1,0,0]=3 447 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2N1C CNP0288264.0 [0,2,0,0,0,0|1,0,0]=3 448 B14R2.7724 CC1=CC(=O)N(C2=CC=CC=C12)C CNP0256321.0 [0,2,0,0,0,0|1,0,0]=3 449 B14R2.7724 CC1=NC(=O)C2=CC=CC=C2N1C CNP0366049.0 [0,2,0,0,0,0|2,0,0]=4 450 B14R2.7724 CC1=NC(=[N+](C2=CC=CC=C12)[O-])C CNP0598721.0 [0,2,0,0,0,0|2,0,0]=4 451 B14R2.7724 CN1C(=O)C=C(C2=CC=CC=C12)O CNP0184684.0 [0,2,0,0,0,0|1,0,0]=3 452 B14R2.7724 CN1C(=O)CC(=O)C2=CC=CC=C12 CNP0209784.0 [0,2,0,0,0,0|1,0,1]=4 453 B14R2.7724 CN1C(=O)NC(=O)C2=CC=CC=C12 CNP0246233.0 [0,2,0,0,0,0|2,0,0]=4 454 B14R2.7724 O=C1C=C(C(=O)C2=CC=CC=C12)Cl CNP0044977.0 [0,2,0,0,0,0|1,0,0]=3 455 B14R2.7724 O=C1C=C(C(=O)C2=CC=CC=C12)O CNP0218319.0 [0,2,0,0,0,0|1,0,0]=3 456 B14R2.7724 O=C1C=C(C2=CC=CC=C2C1=O)O CNP0303808.0 [0,2,0,0,0,0|1,0,0]=3 457 B14R2.7724 O=C1OC(=C(C2=CC=CC=C12)Cl)Cl CNP0566223.0 [0,2,0,0,0,0|2,0,0]=4 458 B14R2.7724 OC1=C(C=C(C2=CC=CN=C12)Br)Br CNP0369792.0 [0,2,0,0,0,0|2,0,0]=4 459 B14R2.7724 OC1=C(C=C(C2=CC=CN=C12)Cl)Cl CNP0108425.0 [0,2,0,0,0,0|2,0,0]=4 460 B14R2.7724 OC1=C(C=C(C2=CC=CN=C12)Cl)I CNP0276443.0 [0,2,0,0,0,0|2,0,0]=4 461 B14R2.7724 OC1=C(C=C(C2=CC=CN=C12)I)I CNP0341342.0 [0,2,0,0,0,0|2,0,0]=4 462 B14R2.7724 OC1=CC(=C2C=CC=CC2=C1O)O CNP0265485.0 [0,2,0,0,0,0|1,0,0]=3 463 B14R2.8038 CC1=CC=C2C(=CC=CC2=C1C)C CNP0243514.0 [0,2,0,0,0,0|0,0,0]=2 464 B14R2.8038 O=C1C=COC2=C(C(=CC=C12)O)O CNP0121065.0 [0,2,0,0,0,0|2,0,0]=4 465 B14R2.8188 CC1=C(C(=O)C2=CC=CC=C2N1)C CNP0174314.0 [0,2,0,0,0,0|2,0,0]=4 466 B14R2.8188 CC1=C(C2=CC=CC=C2OC1=O)O CNP0333808.0 [0,2,0,0,0,0|2,0,0]=4 467 B14R2.8188 CC1=C(OC2=CC=CC=C2C1=O)O CNP0071048.0 [0,2,0,0,0,0|2,0,0]=4 468 B14R2.8188 CC1=CC2=CC=CC=C2C(=C1C)Br CNP0065862.0 [0,2,0,0,0,0|1,0,0]=3 469 B14R2.8188 CC1=CC2=NC=CC=C2C(=C1O)C CNP0284419.0 [0,2,0,0,0,0|1,0,0]=3 470 B14R2.8188 CC1=NC2=CC=CC=C2C(=C1O)O CNP0263942.0 [0,2,0,0,0,0|2,0,0]=4 471 B14R2.8188 O=C1NC2=CC=CC=C2C(=C1O)O CNP0343165.0 [0,2,0,0,0,0|2,0,0]=4 472 B14R2.8188 O=C1OC2=CC=CC=C2C(=C1Br)O CNP0451403.0 [0,2,0,0,0,0|2,0,0]=4 473 B14R2.8188 OC1=CC2=CC=CC=C2C(=C1O)O CNP0221810.0 [0,2,0,0,0,0|1,0,0]=3 474 B14R2.8188 OC1=CC2=CN=CC=C2C(=C1O)O CNP0319490.0 [0,2,0,0,0,0|2,0,0]=4 475 B14R2.8188 OC1=NC2=CC=CC=C2C(=C1O)O CNP0580134.0 [0,2,0,0,0,0|2,0,0]=4 476 B14R2.28523 O=C1C=CC2=CC=CC(=C2C1=O)O CNP0335813.0 [0,2,0,0,0,0|1,0,0]=3 477 B14R2.29369 CC1=CC=C2C(=C(C=CC2=C1)C)C CNP0397817.0 [0,2,0,0,0,0|0,0,0]=2 478 B14R2.29369 CC1=CC=C2C(=C(C=CC2=N1)C)N CNP0055878.0 [0,2,0,0,0,0|2,0,0]=4 479 B14R2.29369 O=C1C(=COC2=CC(=CC=C12)O)Cl CNP0029226.0 [0,2,0,0,0,0|2,0,0]=4 480 B14R2.29369 O=C1C(=COC2=CC(=CC=C12)O)O CNP0158307.0 [0,2,0,0,0,0|2,0,0]=4 481 B14R2.142 CCC1=CC=C2C=CC=C(C2=C1)C CNP0611604.0 [0,2,0,0,0,0|0,0,0]=2 482 B14R2.142 COC1=CC=C2C=CC=C(C2=N1)O CNP0383374.0 [0,2,0,0,0,0|2,0,0]=4 483 B14R2.142 COC1=CC=C2N=CC=C(C2=C1)C CNP0235585.0 [0,2,0,0,0,0|1,0,0]=3 484 B14R2.142 COC1=CC=C2OC=CC(=O)C2=C1 CNP0021965.0 [0,2,0,0,0,0|2,0,0]=4 485 B14R2.142 NNC1=CC=C2C=CC=C(C2=N1)O CNP0518151.0 [0,2,0,0,0,0|2,0,0]=4 486 B14R2.142 O=CC1=CC=C2C=CC=C(C2=N1)O CNP0205106.0 [0,2,0,0,0,0|2,0,0]=4 487 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)C)C CNP0269996.0 [0,2,0,0,0,0|1,0,0]=3 488 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)C)Cl CNP0057353.0 [0,2,0,0,0,0|1,0,0]=3 489 B14R2.8045 CC1=CC(=C2C=CC=C(C2=N1)N)C CNP0041961.0 [0,2,0,0,0,0|1,0,0]=3 490 B14R2.8045 CC1=CC(=O)C2=CC=CC(=C2N1)C CNP0562582.0 [0,2,0,0,0,0|1,0,0]=3 491 B14R2.8045 CC1=CC(=O)C2=CC=CC(=C2O1)O CNP0205573.0 [0,2,0,0,0,0|2,0,0]=4 492 B14R2.8045 CC1=CC(=O)NC2=C(C=CC=C12)C CNP0223940.0 [0,2,0,0,0,0|1,0,0]=3 493 B14R2.8045 CC1=CC(=O)OC2=C(C=CC=C12)O CNP0577199.0 [0,2,0,0,0,0|1,0,0]=3 494 B14R2.8045 CC1=CC(=[N+]2C=CC=C(C2=N1)O)C CNP0603789.0 [0,2,0,0,0,0|2,0,0]=4 495 B14R2.8045 CC1=CC=CC2=C(C=C(N=C12)Cl)Cl CNP0051465.0 [0,2,0,0,0,0|1,0,0]=3 496 B14R2.8045 CC1=CC=CC2=C1NC(=NC2=O)N CNP0512254.0 [0,2,0,0,0,0|2,0,0]=4 497 B14R2.8045 CC1=CC=CC2=C1OC(=O)C=C2O CNP0468058.0 [0,2,0,0,0,0|1,0,0]=3 498 B14R2.8045 CC1=CC=NC2=C(C=C(C=C12)O)C CNP0292978.0 [0,2,0,0,0,0|1,0,0]=3 499 B14R2.8045 O=C1C=C(C2=CC=CC(=C2O1)O)O CNP0298146.0 [0,2,0,0,0,0|2,0,0]=4 500 B14R2.8045 O=C1C=COC2=C(C=C(C=C12)Cl)Br CNP0252914.0 [0,2,0,0,0,0|2,0,0]=4 501 B14R2.8045 O=C1C=COC2=C(C=C(C=C12)Cl)Cl CNP0175827.0 [0,2,0,0,0,0|2,0,0]=4 502 B14R2.8235 CC1=CC(=C2C=C(C=CC2=C1)C)C CNP0251320.0 [0,2,0,0,0,0|0,0,0]=2 503 B14R2.8235 CC1=CC(=C2C=C(C=CC2=C1)O)O CNP0537299.0 [0,2,0,0,0,0|1,0,0]=3 504 B14R2.8235 CC1=CC(=C2C=C(C=CC2=N1)Br)Cl CNP0054347.0 [0,2,0,0,0,0|2,0,0]=4 505 B14R2.8235 CC1=CC(=C2C=C(C=CC2=N1)N)O CNP0361228.0 [0,2,0,0,0,0|2,0,0]=4 506 B14R2.8235 CC1=CC(=C2C=C(C=CC2=N1)O)O CNP0546707.0 [0,2,0,0,0,0|2,0,0]=4 507 B14R2.8235 CC1=CC(=C2N=C(C=CC2=C1)C)C CNP0200732.0 [0,2,0,0,0,0|1,0,0]=3 508 B14R2.8235 CC1=CC(=NC2=CC=C(C=C12)O)Cl CNP0578018.0 [0,2,0,0,0,0|1,0,0]=3 509 B14R2.8235 CC1=CC(=O)OC2=CC=C(C=C12)O CNP0360386.0 [0,2,0,0,0,0|1,0,0]=3 510 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)C)C CNP0403291.0 [0,2,0,0,0,0|1,0,0]=3 511 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)Cl)C CNP0034283.0 [0,2,0,0,0,0|2,0,0]=4 512 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)Cl)Cl CNP0051688.0 [0,2,0,0,0,0|2,0,0]=4 513 B14R2.8235 CC1=CC=C2N=C(C=C(C2=C1)O)O CNP0529308.0 [0,2,0,0,0,0|2,0,0]=4 514 B14R2.8235 CC1=CC=C2N=C(C=C([N+]2=C1)C)C CNP0494798.0 [0,2,0,0,0,0|2,0,0]=4 515 B14R2.8235 CC1=CC=C2OC(=O)C=C(C2=C1)O CNP0472566.0 [0,2,0,0,0,0|2,0,0]=4 516 B14R2.8235 O=C1C=C(C2=CC(=CC=C2N1)Br)O CNP0144857.0 [0,2,0,0,0,0|2,0,0]=4 517 B14R2.8235 O=C1C=C(C2=CC(=CC=C2O1)Br)O CNP0453549.0 [0,2,0,0,0,0|2,0,0]=4 518 B14R2.8235 O=C1C=C(C2=CC(=CC=C2O1)Cl)O CNP0107403.0 [0,2,0,0,0,0|2,0,0]=4 519 B14R2.8235 OC1=CC(=C2C=C(C=CC2=N1)Br)O CNP0612149.0 [0,2,0,0,0,0|2,0,0]=4 520 B14R2.8751 CC1=CC=C(C2=C1C=CC(=O)O2)N CNP0365303.0 [0,2,0,0,0,0|1,0,0]=3 521 B14R2.8751 CC1=CC=C(C2=C1C=CC(=O)O2)O CNP0506877.0 [0,2,0,0,0,0|1,0,0]=3 522 B14R2.8751 CC1=CC=C2C(=O)C=CC(=O)C2=C1 CNP0102816.0 [0,2,0,0,0,0|1,0,0]=3 523 B14R2.8751 O=C1C=CC2=C(C=CC(=C2O1)O)O CNP0254075.0 [0,2,0,0,0,0|2,0,0]=4 524 B14R2.11684 CCC1=CC=CC2=CC=C(N=C12)C CNP0397522.0 [0,2,0,0,0,0|1,0,0]=3 525 B14R2.11684 COC1=CC=CC2=C1OC(=O)C=C2 CNP0331966.0 [0,2,0,0,0,0|1,0,0]=3 526 B14R2.11684 COC1=CC=CC2=CC=C(N=C12)C CNP0080173.0 [0,2,0,0,0,0|1,0,0]=3 527 B14R2.28472 CC1=CC2=C(C=C1Cl)C(=O)C=CO2 CNP0024253.0 [0,2,0,0,0,0|2,0,0]=4 528 B14R2.28472 CC1=CC2=CC=CC(=C2C=C1C)C CNP0265529.0 [0,2,0,0,0,0|0,0,0]=2 529 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1C)C CNP0320200.0 [0,2,0,0,0,0|1,0,0]=3 530 B14R2.28472 CC1=CC2=CC=CC(=C2N=C1O)O CNP0085136.0 [0,2,0,0,0,0|2,0,0]=4 531 B14R2.28472 O=C1C=COC2=CC(=C(C=C12)O)O CNP0422825.0 [0,2,0,0,0,0|2,0,0]=4 532 B14R2.1019 CC1=NC(=NC2=CC=CC=C12)CO CNP0240965.0 [0,2,0,0,0,0|2,0,0]=4 533 B14R2.1019 CCC1=CC2=CC=CC=C2C(=O)O1 CNP0426577.0 [0,2,0,0,0,0|2,0,0]=4 534 B14R2.1019 CCC1=NC(=C2C=CC=CC2=N1)C CNP0326114.0 [0,2,0,0,0,0|2,0,0]=4 535 B14R2.1019 COC1=CC(=C2C=NC=CC2=C1)O CNP0574756.0 [0,2,0,0,0,0|2,0,0]=4 536 B14R2.1019 O=CC1=CC(=O)C2=CC=CC=C2N1 CNP0329985.0 [0,2,0,0,0,0|2,0,0]=4 537 B14R2.1019 O=CC1=CC2=CC=CC=C2C(=O)O1 CNP0266935.0 [0,2,0,0,0,0|2,0,0]=4 538 B14R2.1146 CNC1=CC(=O)OC2=CC=CC=C12 CNP0047414.0 [0,2,0,0,0,0|1,0,0]=3 539 B14R2.1146 COC1=CC(=NC2=CC=CC=C12)C CNP0292426.0 [0,2,0,0,0,0|1,0,0]=3 540 B14R2.1146 COC1=CC(=NC2=CC=CC=C12)O CNP0503545.0 [0,2,0,0,0,0|1,0,0]=3 541 B14R2.1146 COC1=CC(=O)NC2=CC=CC=C12 CNP0145550.0 [0,2,0,0,0,0|1,0,0]=3 542 B14R2.1146 COC1=CC(=O)OC2=CC=CC=C12 CNP0022166.0 [0,2,0,0,0,0|1,0,0]=3 543 B14R2.28480 CC1=CC(=C2C(=CC=CC2=C1)O)O CNP0122675.0 [0,2,0,0,0,0|1,0,0]=3 544 B14R2.28480 CC1=CC(=C2C(=CC=NC2=C1)Cl)C CNP0080076.0 [0,2,0,0,0,0|1,0,0]=3 545 B14R2.28480 CC1=CC(=O)C2=C(C=CC=C2O1)C CNP0202455.0 [0,2,0,0,0,0|1,0,0]=3 546 B14R2.28480 CC1=CC(=O)C2=C(C=CC=C2O1)O CNP0237764.0 [0,2,0,0,0,0|2,0,0]=4 547 B14R2.28480 CC1=CC(=O)OC2=CC=CC(=C12)O CNP0145645.0 [0,2,0,0,0,0|1,0,0]=3 548 B14R2.28480 CC1=CC2=CC=CC(=C2C(=N1)C)O CNP0070363.0 [0,2,0,0,0,0|1,0,0]=3 549 B14R2.28480 CC1=CC2=CC=CC(=C2C(=O)O1)O CNP0211868.0 [0,2,0,0,0,0|2,0,0]=4 550 B14R2.28480 CC1=CC=CC2=C1C(=CC(=O)O2)O CNP0152125.0 [0,2,0,0,0,0|1,0,0]=3 551 B14R2.28480 CC1=CC=CC2=C1C(=O)C=C(O2)O CNP0564272.0 [0,2,0,0,0,0|1,0,0]=3 552 B14R2.28480 CC1=CC=CC2=C1C(=O)NC(=O)N2 CNP0351247.0 [0,2,0,0,0,0|2,0,0]=4 553 B14R2.28480 O=C1C=COC2=CC(=CC(=C12)O)O CNP0323885.0 [0,2,0,0,0,0|2,0,0]=4 554 B14R2.28480 O=C1NC=CC2=CC(=CC(=C12)O)O CNP0371386.0 [0,2,0,0,0,0|2,0,0]=4 555 B14R2.28480 OC1=CC(=C2C(=CC=CC2=C1)O)O CNP0096816.0 [0,2,0,0,0,0|1,0,0]=3 556 B14R2.29365 CC1=CC(=CC2=C1C=CC(O2)C)O CNP0523146.0 [0,2,0,0,0,0|1,0,1]=4 557 B14R2.29365 CC1=CC(=O)C2=CC=C(C=C2O1)O CNP0300806.0 [0,2,0,0,0,0|2,0,0]=4 558 B14R2.29365 CC1=CC(=O)NC2=CC(=CC=C12)N CNP0330945.0 [0,2,0,0,0,0|1,0,0]=3 559 B14R2.29365 CC1=CC(=O)OC2=CC(=CC=C12)N CNP0361048.0 [0,2,0,0,0,0|1,0,0]=3 560 B14R2.29365 CC1=CC(=O)OC2=CC(=CC=C12)O CNP0323480.0 [0,2,0,0,0,0|1,0,0]=3 561 B14R2.29365 CC1=CC=C2C(=CC(=CC2=C1)C)C CNP0322737.0 [0,2,0,0,0,0|0,0,0]=2 562 B14R2.29365 CC1=CC=C2C(=CC(=O)OC2=C1)C CNP0413432.0 [0,2,0,0,0,0|1,0,0]=3 563 B14R2.29365 CC1=CC=C2C(=CC(=O)OC2=C1)O CNP0456639.0 [0,2,0,0,0,0|2,0,0]=4 564 B14R2.29365 O=C1C=C(C2=CC=C(C=C2O1)O)O CNP0322727.0 [0,2,0,0,0,0|2,0,0]=4 565 B14R2.29365 O=C1C=CC2=C(C=C(C=C2O1)O)O CNP0302708.0 [0,2,0,0,0,0|2,0,0]=4 566 B14R2.29365 OC1=CC=C2C(=CC(=CC2=C1)O)O CNP0114435.0 [0,2,0,0,0,0|1,0,0]=3 567 B14R2.29496 CC1=CC(NC2=CC=CC=C12)(C)C CNP0284997.0 [0,2,0,0,0,0|1,0,1]=4 568 B14R2.1078 COC1=CC=CC2=C(C=CC=C12)O CNP0164140.0 [0,2,0,0,0,0|0,0,0]=2 569 B14R2.1078 N#CC1=CC=CC2=C(C=CC=C12)N CNP0070460.0 [0,2,0,0,0,0|0,0,1]=3 570 B14R2.1078 NCC1=CC=CC2=C(C=CC=C12)Br CNP0469848.0 [0,2,0,0,0,0|0,0,0]=2 571 B14R2.1078 O=C1OC=CC2=C(C=CC=C12)CO CNP0075841.0 [0,2,0,0,0,0|1,0,0]=3 572 B14R2.1078 O=CC1=CC=CC2=C(C=CC=C12)Br CNP0465044.0 [0,2,0,0,0,0|0,0,1]=3 573 B14R2.1078 O=CC1=CC=CC2=C1C=COC2=O CNP0584393.0 [0,2,0,0,0,0|1,0,1]=4 574 B14R2.1078 O=CC1=CC=NC2=C(C=CC=C12)O CNP0289572.0 [0,2,0,0,0,0|1,0,1]=4 575 B14R2.8034 CC1=CC=CC2=C1C=CCC2(C)C CNP0605854.0 [0,2,0,0,0,0|0,0,2]=4 576 B14R2.8051 CC1=CC=C(C2=C(C=CC=C12)C)C CNP0084069.0 [0,2,0,0,0,0|0,0,0]=2 577 B14R2.8051 CC1=CC=C(C2=C1C=CC[C@@H]2C)C CNP0536199.2 [0,2,0,0,0,0|0,0,2]=4 578 B14R2.8051 CC1=CC=C(C2=C1C=CC[C@H]2C)C CNP0536199.1 [0,2,0,0,0,0|0,0,2]=4 579 B14R2.8051 CC1=CC=CC2=C1C(=O)C=CC2=O CNP0396624.0 [0,2,0,0,0,0|0,0,0]=2 580 B14R2.8051 O=C1C=CC(=O)C2=C(C=CC=C12)O CNP0159137.0 [0,2,0,0,0,0|1,0,0]=3 581 B14R2.8051 OC1=CC=C(C2=C(C=CC=C12)O)O CNP0107196.0 [0,2,0,0,0,0|1,0,0]=3 582 B14R2.1131 COC1=CC=C(C2=CC=CC=C12)O CNP0113688.0 [0,2,0,0,0,0|0,0,0]=2 583 B14R2.1131 COC1=CC=[N+](C2=CC=CC=C12)C CNP0492868.0 [0,2,0,0,0,0|1,0,0]=3 584 B14R2.1131 COC1=CNC(=O)C2=CC=CC=C12 CNP0087306.0 [0,2,0,0,0,0|1,0,0]=3 585 B14R2.1131 CO[C@@H]1C=CN(C2=CC=CC=C12)C CNP0321353.1 [0,2,0,0,0,0|1,0,1]=4 586 B14R2.1131 C[O+]=C1C=CN(C2=CC=CC=C12)C CNP0483118.0 [0,2,0,0,0,0|1,0,0]=3 587 B14R2.1131 O=CC1=CC=C(C2=NC=CC=C12)O CNP0512902.0 [0,2,0,0,0,0|1,0,1]=4 588 B14R2.1073 COC1=CC=CC2=C1C=CC(=O)O2 CNP0275397.0 [0,2,0,0,0,0|1,0,0]=3 589 B14R2.7150 C=CCC1=CC=CC2=CC=CC=C12 CNP0086226.0 [0,2,0,0,0,0|0,0,0]=2 590 B14R2.7150 CCOC1=NC=NC2=CC=CC=C12 CNP0212774.0 [0,2,0,0,0,0|2,0,0]=4 591 B14R2.7150 ON=CC1=CC=NC2=CC=CC=C12 CNP0259978.0 [0,2,0,0,0,0|1,0,1]=4 592 B14R2.11635 COC1=CC=CC2=CC=CC(=C12)O CNP0328462.0 [0,2,0,0,0,0|0,0,0]=2 593 B14R2.31359 O=C(O)C1=CC=CC2=CC=CC=C12 CNP0250928.0 [0,2,0,0,0,0|0,0,1]=3 594 B14R2.31359 O=C(O)C1=CC=NC2=CC=CC=C12 CNP0296019.0 [0,2,0,0,0,0|1,0,1]=4 595 B14R2.31359 O=[N+]([O-])C1=CC=CC2=CC=CC=C12 CNP0482901.0 [0,2,0,0,0,0|1,0,0]=3 596 B14R2.31359 O=[N+]([O-])C1=CC=CC2=CC=CN=C12 CNP0497074.0 [0,2,0,0,0,0|2,0,0]=4 597 B14R2.4640 CC1=CC=C2C(=C1)C=CCC2(C)C CNP0256441.0 [0,2,0,0,0,0|0,0,2]=4 598 B14R2.1801 COC1=CC=C2C(=O)C=CCC2=C1 CNP0065010.0 [0,2,0,0,0,0|1,0,1]=4 599 B14R2.1801 NCC1=CC=C2C(=CC=CC2=C1)Br CNP0445913.0 [0,2,0,0,0,0|1,0,0]=3 600 B14R2.1801 O=CC1=CC=C2C(=CC=CC2=C1)Br CNP0460613.0 [0,2,0,0,0,0|1,0,0]=3 601 B10R0.71 C=CC=CC=CC=CCCC CNP0533650.0 [0,0,2,0,0,0|0,0,2]=4 602 B10R0.71 C=CC=CC=CCC=CCC CNP0265258.0 [0,0,2,0,0,0|0,0,2]=4 603 B10R0.71 CC=CC=CC=CC=CC=O CNP0302778.0 [0,0,2,0,0,0|1,0,0]=3 604 B10R0.71 CC=CC=CC=CC=CCC CNP0259924.0 [0,0,2,0,0,0|0,0,2]=4 605 B10R0.91 CC(=CC=CC=O)C=CC=O CNP0179578.0 [0,0,2,0,0,0|2,0,0]=4 606 B12R2.2 C1=CC=C(C=C1)C2=CC=CO2 CNP0542507.0 [0,0,1,1,0,0|1,0,0]=3 607 B12R2.2 C1=CC=C(C=C1)C2=CN=CN2 CNP0534648.0 [0,0,1,1,0,0|2,0,0]=4 608 B12R2.2 C1=CC=C(C=C1)C2=CN=CS2 CNP0313698.0 [0,0,1,1,0,0|2,0,0]=4 609 B12R2.2 C1=CC=C(C=C1)C2=COC=C2 CNP0103654.0 [0,0,1,1,0,0|1,0,1]=4 610 B12R2.2 C1=CN=CC(=C1)C2=CC=CN2 CNP0403248.0 [0,0,1,1,0,0|2,0,0]=4 611 B12R2.32 N#CC1=CC2=CC=CC=C2C1 CNP0127189.0 [0,0,1,1,0,0|1,0,1]=4 612 B12R2.32 O=CC1=CC2=CC=CC=C2O1 CNP0003119.0 [0,0,1,1,0,0|2,0,0]=4 613 B12R2.41 C1=CC2=CC=CC=C2C=CC1 CNP0496294.0 [0,0,1,1,0,0|0,0,2]=4 614 B12R2.41 C1=CC2=CC=CC=C2NN=C1 CNP0558669.0 [0,0,1,1,0,0|2,0,0]=4 615 B12R2.41 C1=CC=C2CC=CC=C2C=C1 CNP0563249.0 [0,0,1,1,0,0|0,0,2]=4 616 B12R2.586 OC1=CC=C2C1=CC=CC=C2 CNP0566607.0 [0,0,1,1,0,0|1,0,0]=3 617 B12R2.2017 C1=CC=C2C=CC=CC(=C1)C2 CNP0061663.0 [0,0,1,1,0,0|0,0,0]=2 618 B12R2.2051 C=C[C@@]1(CC2=CC=CC=C12)C CNP0056455.2 [0,0,1,1,0,0|0,0,2]=4 619 B12R2.2051 C=C[C@]1(CC2=CC=CC=C12)C CNP0056455.1 [0,0,1,1,0,0|0,0,2]=4 620 B14R3.164 C1=CC2=C3C(=CC=CC3=C1)CC2 CNP0325454.0 [0,1,0,1,0,0|0,0,0]=2 621 B14R3.164 C1=CC2=CC=CC3=CC=CC1=C23 CNP0306840.0 [0,1,0,1,0,0|0,0,1]=3 622 B10R2.7 C1=CC2=C(C=N1)SC=C2 CNP0610548.0 [1,0,0,0,1,0|2,0,0]=4 623 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [1,0,0,0,1,0|0,0,1]=3 624 B10R2.7 C1=CC2=CC=CC=C2[N]1 CNP0479391.0 [1,0,0,0,1,0|1,0,0]=3 625 B10R2.7 C1=CC2=CC=CN2C=C1 CNP0429574.0 [1,0,0,0,1,0|1,0,0]=3 626 B10R2.7 C1=CC2=COC=C2C=C1 CNP0531832.0 [1,0,0,0,1,0|1,0,0]=3 627 B10R2.7 C1=CC2=CON=C2C=C1 CNP0552561.0 [1,0,0,0,1,0|2,0,0]=4 628 B10R2.7 C1=CC2=CSC=C2C=C1 CNP0596171.0 [1,0,0,0,1,0|1,0,0]=3 629 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [1,0,0,0,1,0|1,0,1]=4 630 B10R2.7 C1=CC=C2NC=CC2=C1 CNP0118430.0 [1,0,0,0,1,0|1,0,0]=3 631 B10R2.7 C1=CC=C2NC=NC2=C1 CNP0449067.0 [1,0,0,0,1,0|2,0,0]=4 632 B10R2.7 C1=CC=C2NN=CC2=C1 CNP0438721.0 [1,0,0,0,1,0|2,0,0]=4 633 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [1,0,0,0,1,0|1,0,0]=3 634 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [1,0,0,0,1,0|2,0,0]=4 635 B10R2.7 C1=CC=C2SC=CC2=C1 CNP0172612.0 [1,0,0,0,1,0|1,0,0]=3 636 B10R2.7 C1=CC=C2SC=NC2=C1 CNP0300295.0 [1,0,0,0,1,0|2,0,0]=4 637 B10R2.7 C1=CC=C2SN=CC2=C1 CNP0551467.0 [1,0,0,0,1,0|2,0,0]=4 638 B10R2.7 C1=CN2C=CN=CC2=C1 CNP0287056.0 [1,0,0,0,1,0|2,0,0]=4 639 B10R2.7 C1=CN=C2NC=CC2=C1 CNP0134937.0 [1,0,0,0,1,0|2,0,0]=4 640 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [1,0,0,0,1,0|1,0,1]=4 641 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [0,0,0,0,2,0|0,0,2]=4 642 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [0,0,0,0,2,0|0,0,2]=4 643 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [0,0,0,0,2,0|1,0,1]=4