0 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)O CNP0598021.0 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)N CNP0112115.0 [0,0,0,0,0,0|1,0,0]=1 2 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)O CNP0333884.0 [0,0,0,0,0,0|0,0,0]=0 3 B13R1.17 CNCO[C@@H](O)C1=CC=C(C=C1)O CNP0003653.1 [0,0,0,0,0,0|1,0,2]=3 4 B13R1.17 CON=CC(=O)C1=CC=C(C=C1)O CNP0483730.0 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)Cl CNP0594342.0 [0,0,0,0,0,0|3,0,0]=3 6 B13R1.17 O=C(NCCO)C1=CC=C(C=C1)Cl CNP0558484.0 [0,0,0,0,0,0|3,0,0]=3 7 B13R1.17 O=C(NCCO)C1=CC=C(C=C1)O CNP0177000.0 [0,0,0,0,0,0|2,0,0]=2 8 B13R1.17 O=C(OCCO)C1=CC=C(C=C1)O CNP0105691.0 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.1 CCCCCC1=CC=C(C=C1)O CNP0317854.0 [1,0,0,0,0,0|1,0,1]=3 10 B12R1.1 CCCCOC1=CC=C(C=C1)Br CNP0109333.0 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.1 CCCCOC1=CC=C(C=C1)N CNP0043525.0 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.1 CCCCOC1=CC=C(C=C1)O CNP0129863.0 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.1 CCCCSC1=CC=C(C=C1)C CNP0334221.0 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.1 CNCCCC1=CC=C(C=C1)O CNP0135430.0 [1,0,0,0,0,0|2,0,1]=4 15 B12R1.1 COCC=CC1=CC=C(C=C1)O CNP0284684.0 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.1 COCCCC1=CC=C(C=C1)O CNP0164469.0 [1,0,0,0,0,0|2,0,1]=4 17 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O CNP0055892.0 [1,0,0,0,0,0|0,0,0]=1 18 B12R1.16 CCOC(=O)C1=CC=C(C=C1)C CNP0077252.0 [1,0,0,0,0,0|1,0,0]=2 19 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N CNP0225761.0 [1,0,0,0,0,0|1,0,0]=2 20 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O CNP0179290.0 [1,0,0,0,0,0|0,0,0]=1 21 B12R1.16 CNC[C@@H](O)C1=CC=C(C=C1)O CNP0214406.2 [1,0,0,0,0,0|1,0,2]=4 22 B12R1.16 CNC[C@H](O)C1=CC=C(C=C1)O CNP0214406.1 [1,0,0,0,0,0|1,0,2]=4 23 B12R1.16 COCC(=O)C1=CC=C(C=C1)O CNP0289032.0 [1,0,0,0,0,0|1,0,0]=2 24 B12R1.16 COC[C@H](O)C1=CC=C(C=C1)O CNP0538036.1 [1,0,0,0,0,0|1,0,2]=4 25 B12R1.16 O=C(C=NO)C1=CC=C(C=C1)O CNP0168416.0 [1,0,0,0,0,0|2,0,1]=4 26 B12R1.16 O=C(CCO)C1=CC=C(C=C1)O CNP0268127.0 [1,0,0,0,0,0|1,0,0]=2 27 B12R1.16 O=CNC(=O)C1=CC=C(C=C1)O CNP0113478.0 [1,0,0,0,0,0|2,0,1]=4 28 B12R1.16 OCCC(O)C1=CC=C(C=C1)O CNP0181987.0 [1,0,0,0,0,0|1,0,2]=4 29 B12R1.16 [2H]C1=CC=C(C=C1)C(=O)OCC CNP0538660.0 [1,0,0,0,0,0|1,0,0]=2 30 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 CNP0100792.0 [1,0,0,0,0,0|0,0,2]=3 31 B12R1.30 CCC=CC(=O)C1=CC=CC=C1 CNP0126866.0 [1,0,0,0,0,0|1,0,1]=3 32 B12R1.30 CCCCC(=O)C1=CC=CC=C1 CNP0346038.0 [1,0,0,0,0,0|1,0,0]=2 33 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 CNP0251473.1 [1,0,0,0,0,0|1,0,2]=4 34 B12R1.30 CCCN=C(C)C1=CC=CC=C1 CNP0446142.0 [1,0,0,0,0,0|2,0,0]=3 35 B12R1.30 CCCNC(=O)C1=CC=CC=C1 CNP0268362.0 [1,0,0,0,0,0|1,0,0]=2 36 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CNP0261819.0 [1,0,0,0,0,0|0,0,0]=1 37 B12R1.30 CNC=CC(=O)C1=CC=CC=C1 CNP0043967.0 [1,0,0,0,0,0|2,0,1]=4 38 B12R1.30 NCCCC(=O)C1=CC=CC=N1 CNP0319250.0 [1,0,0,0,0,0|3,0,0]=4 39 B12R1.30 NCCNC(=O)C1=CC=CC=N1 CNP0456305.0 [1,0,0,0,0,0|3,0,0]=4 40 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 CNP0513261.0 [1,0,0,0,0,0|2,0,0]=3 41 B12R1.30 O=C(NCCO)C1=CC=CC=C1 CNP0563015.0 [1,0,0,0,0,0|2,0,0]=3 42 B12R1.30 O=C(OCCO)C1=CC=CC=C1 CNP0577678.0 [1,0,0,0,0,0|1,0,0]=2 43 B14R1.10 CCC(=CC(=O)C1=CC=C(C=C1)Br)O CNP0506968.0 [0,1,0,0,0,0|2,0,1]=4 44 B14R1.10 COC(=O)CC(=O)C1=CC=C(C=C1)O CNP0317330.0 [0,1,0,0,0,0|2,0,1]=4 45 B14R1.19 CC1=CC=C(C=C1)C(=O)CCCC#N CNP0061652.0 [0,1,0,0,0,0|2,0,1]=4 46 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)N CNP0165219.0 [0,1,0,0,0,0|1,0,0]=2 47 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)O CNP0230608.0 [0,1,0,0,0,0|0,0,0]=1 48 B14R1.19 CNCCCC(=O)C1=CC=C(N=C1)O CNP0068763.0 [0,1,0,0,0,0|2,0,0]=3 49 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)O CNP0219617.0 [0,1,0,0,0,0|2,0,0]=3 50 B14R1.678 CC(=O)NCC(=O)C1=CC=C(C=C1)O CNP0408370.0 [0,1,0,0,0,0|2,0,1]=4 51 B14R1.678 CC(=O)OCC(=O)C1=CC=C(C=C1)O CNP0233235.0 [0,1,0,0,0,0|2,0,1]=4 52 B14R1.678 CC(C)COC(=O)C1=CC=C(C=C1)N CNP0329660.0 [0,1,0,0,0,0|1,0,0]=2 53 B14R1.678 CC(C)COC(=O)C1=CC=C(C=C1)O CNP0605339.0 [0,1,0,0,0,0|0,0,0]=1 54 B14R1.678 CN(C)CCC(=O)C1=CC=C(C=C1)Br CNP0466056.0 [0,1,0,0,0,0|3,0,0]=4 55 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)O CNP0422796.0 [0,1,0,0,0,0|2,0,1]=4 56 B14R1.926 COC1=CC=C(C=C1)C(=O)NCC#N CNP0494763.0 [0,1,0,0,0,0|2,0,1]=4 57 B14R2.928 CC1CN1C(=O)C2=CC=C(C=C2)Br CNP0158098.0 [0,0,0,1,0,0|2,0,0]=3 58 B14R2.8751 CC1=CC=C2C(=O)CCC(C2=C1)O CNP0563116.0 [0,0,0,1,0,0|3,0,0]=4 59 B14R2.8751 O=C1CC[C@@H](C2=CC(=CC=C12)O)O CNP0144783.2 [0,0,0,1,0,0|2,0,0]=3 60 B14R2.8751 O=C1CC[C@H](C2=CC(=CC=C12)O)O CNP0144783.1 [0,0,0,1,0,0|2,0,0]=3 61 B14R1.33 CC1=CC=C(C=C1)NC(=O)NCCO CNP0293021.0 [0,0,0,0,0,1|3,0,0]=4 62 B14R1.33 CCCCC(=O)OC1=CC=C(C=C1)Br CNP0379282.0 [0,0,0,0,0,1|2,0,0]=3 63 B11R1.1 CCCCC1=CC=C(C=C1)N CNP0586525.0 [2,0,0,0,0,0|1,0,1]=4 64 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [2,0,0,0,0,0|0,0,1]=3 65 B11R1.1 CCCOC1=CC=C(C=C1)Br CNP0287758.0 [2,0,0,0,0,0|1,0,0]=3 66 B11R1.1 CCCOC1=CC=C(C=C1)N CNP0514752.0 [2,0,0,0,0,0|1,0,0]=3 67 B11R1.1 CCCOC1=CC=C(C=C1)O CNP0079194.0 [2,0,0,0,0,0|0,0,0]=2 68 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [2,0,0,0,0,0|0,0,1]=3 69 B11R1.1 CNCCC1=CC=C(C=C1)O CNP0279481.0 [2,0,0,0,0,0|1,0,1]=4 70 B11R1.1 ClCCOC1=CC=C(C=C1)Br CNP0422395.0 [2,0,0,0,0,0|2,0,0]=4 71 B11R1.1 NCCCC1=CC=C(C=C1)O CNP0268831.0 [2,0,0,0,0,0|1,0,1]=4 72 B11R1.1 OCC=CC1=CC=C(C=C1)O CNP0243646.0 [2,0,0,0,0,0|1,0,1]=4 73 B11R1.1 OCCCC1=CC=C(C=C1)O CNP0319332.0 [2,0,0,0,0,0|1,0,1]=4 74 B11R1.1 OCCOC1=CC=C(C=C1)Cl CNP0569339.0 [2,0,0,0,0,0|2,0,0]=4 75 B11R1.28 CCCC=CC1=CC=CC=C1 CNP0133408.0 [2,0,0,0,0,0|1,0,0]=3 76 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [2,0,0,0,0,0|1,0,1]=4 77 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [2,0,0,0,0,0|2,0,0]=4 78 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [2,0,0,0,0,0|2,0,0]=4 79 B11R1.28 CNCC=CC1=CC=CC=C1 CNP0268805.0 [2,0,0,0,0,0|2,0,0]=4 80 B11R1.16 C=COC(=O)C1=CC=CC=C1 CNP0083042.0 [2,0,0,0,0,0|0,0,2]=4 81 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [2,0,0,0,0,0|0,0,0]=2 82 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [2,0,0,0,0,0|0,1,0]=3 83 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [2,0,0,0,0,0|0,0,0]=2 84 B11R1.16 CCOC(=O)C1=CC=CC=N1 CNP0298485.0 [2,0,0,0,0,0|1,0,0]=3 85 B11R1.16 CCOC(=O)C1=CC=CN=C1 CNP0104896.0 [2,0,0,0,0,0|1,0,0]=3 86 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [2,0,0,0,0,0|1,0,1]=4 87 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [2,0,0,0,0,0|1,0,0]=3 88 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [2,0,0,0,0,0|1,0,0]=3 89 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CNP0039912.0 [2,0,0,0,0,0|1,0,1]=4 90 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [2,0,0,0,0,0|1,0,0]=3 91 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [2,0,0,0,0,0|0,0,0]=2 92 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [2,0,0,0,0,0|0,0,2]=4 93 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [2,0,0,0,0,0|1,0,1]=4 94 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [2,0,0,0,0,0|2,0,0]=4 95 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [2,0,0,0,0,0|1,0,0]=3 96 B11R1.22 COC(=O)C1=CC=C(C=C1)N CNP0162858.0 [2,0,0,0,0,0|1,0,0]=3 97 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [2,0,0,0,0,0|0,0,0]=2 98 B11R1.22 COC(=O)C1=COC(=O)C=C1 CNP0038303.0 [2,0,0,0,0,0|1,0,1]=4 99 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [2,0,0,0,0,0|1,0,1]=4 100 B11R1.22 NNC(=O)C1=CC=C(C=C1)O CNP0382573.0 [2,0,0,0,0,0|2,0,0]=4 101 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br CNP0077206.0 [2,0,0,0,0,0|2,0,0]=4 102 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [2,0,0,0,0,0|1,0,0]=3 103 B11R1.22 O=CC(=O)C1=CC=C(C=C1)O CNP0271271.0 [2,0,0,0,0,0|1,0,1]=4 104 B13R1.9 CCCCCCC1=CC=C(C=C1)O CNP0504357.0 [1,1,0,0,0,0|1,0,1]=4 105 B13R1.9 CCCCOCC1=CC=C(C=C1)O CNP0265781.0 [1,1,0,0,0,0|0,0,1]=3 106 B13R1.371 CCCCCC1=CC=C(C=C1)OC CNP0505524.0 [1,1,0,0,0,0|1,0,1]=4 107 B13R1.371 COCC=CC1=CC=C(C=C1)OC CNP0276419.0 [1,1,0,0,0,0|2,0,0]=4 108 B13R1.513 CC(=O)CC=CC1=CC=C(C=C1)O CNP0480900.0 [1,1,0,0,0,0|1,0,1]=4 109 B13R1.513 C[C@H](O)CCCC1=CC=C(C=C1)O CNP0310570.1 [1,1,0,0,0,0|1,0,1]=4 110 B13R1.669 COCC=CC1=CC=C(C(=C1)O)O CNP0199050.0 [1,1,0,0,0,0|2,0,0]=4 111 B13R1.1 CCOC(CO)C1=CC=C(C=C1)O CNP0609600.0 [1,1,0,0,0,0|0,0,2]=4 112 B13R1.21 CNC(C)C(=O)C1=CC=C(C=C1)C CNP0475628.0 [1,1,0,0,0,0|2,0,0]=4 113 B13R1.21 COC(=O)C(=O)C1=CC=C(C=C1)O CNP0422883.0 [1,1,0,0,0,0|1,0,1]=4 114 B13R1.21 O=C(C1=CC=C(C=C1)O)[C@H](O)CO CNP0229154.1 [1,1,0,0,0,0|1,0,0]=3 115 B13R1.132 CC(C)OC(=O)C1=CC=C(C=C1)O CNP0491246.0 [1,1,0,0,0,0|0,0,0]=2 116 B13R1.132 O=C(O)CC(=O)C1=CC=C(C=C1)O CNP0180291.0 [1,1,0,0,0,0|1,0,1]=4 117 B13R1.452 CCOC(=O)C1=CC=C(C=C1)NC CNP0322194.0 [1,1,0,0,0,0|1,0,0]=3 118 B13R1.452 CCOC(=O)C1=CC=C(C=C1)OC CNP0334589.0 [1,1,0,0,0,0|0,0,0]=2 119 B13R1.452 CCOC(=O)C1=CC=C(C=N1)OC CNP0243346.0 [1,1,0,0,0,0|1,0,0]=3 120 B13R1.452 CCOC(=O)C1=CC=C(N=C1)OC CNP0232360.0 [1,1,0,0,0,0|1,0,0]=3 121 B13R1.452 COC1=CC=C(C=C1)C(=O)CC#N CNP0144468.0 [1,1,0,0,0,0|1,0,1]=4 122 B13R1.466 CCOC(=O)C1=CC(=O)C(=CO1)O CNP0491861.0 [1,1,0,0,0,0|1,0,0]=3 123 B13R1.466 CCOC(=O)C1=CC=C(C(=C1)O)O CNP0317918.0 [1,1,0,0,0,0|0,0,0]=2 124 B13R1.466 CNCC(=O)C1=CC=C(C(=C1)O)O CNP0272151.0 [1,1,0,0,0,0|1,0,0]=3 125 B13R1.466 O=C(CCO)C1=CC=C(C(=C1)O)O CNP0134924.0 [1,1,0,0,0,0|1,0,0]=3 126 B13R1.1511 CCOC(=O)C1=CC=C(C=C1O)O CNP0403954.0 [1,1,0,0,0,0|0,0,0]=2 127 B13R1.1511 NCCC(=O)C1=CC=C(C=C1N)Br CNP0432173.0 [1,1,0,0,0,0|2,0,0]=4 128 B13R1.11 CCC(C)OC(=O)C1=CC=CC=C1 CNP0609113.0 [1,1,0,0,0,0|0,0,0]=2 129 B13R1.11 CCC(O)CC(=O)C1=CC=CC=C1 CNP0116208.0 [1,1,0,0,0,0|1,0,0]=3 130 B13R1.11 C[C@H](CO)OC(=O)C1=CC=CC=C1 CNP0076498.1 [1,1,0,0,0,0|1,0,0]=3 131 B13R1.18 CCCOC(=O)C1=CC=CC(=C1)N CNP0064197.0 [1,1,0,0,0,0|0,0,0]=2 132 B13R1.24 CC#CCCC(=O)C1=CC=CC=C1 CNP0333337.0 [1,1,0,0,0,0|1,0,1]=4 133 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 CNP0076659.0 [1,1,0,0,0,0|1,0,0]=3 134 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 CNP0207399.0 [1,1,0,0,0,0|1,0,0]=3 135 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 CNP0250568.0 [1,1,0,0,0,0|0,0,0]=2 136 B13R1.24 CCCCOC(=O)C1=CC=CN=C1 CNP0071070.0 [1,1,0,0,0,0|1,0,0]=3 137 B13R1.24 CCCCO[C@H](C)C1=CC=CC=C1 CNP0178892.1 [1,1,0,0,0,0|1,0,1]=4 138 B13R1.24 CNCCCC(=O)C1=CC=CN=C1 CNP0204059.0 [1,1,0,0,0,0|2,0,0]=4 139 B13R1.24 N#CCCCC(=O)C1=CC=CC=C1 CNP0255387.0 [1,1,0,0,0,0|1,0,1]=4 140 B13R1.26 CCCCC(=NO)C1=CC=CC=C1 CNP0122227.0 [1,1,0,0,0,0|1,0,1]=4 141 B13R1.26 COCOC(C=O)C1=CC=CC=C1 CNP0149378.0 [1,1,0,0,0,0|1,0,1]=4 142 B13R1.45 CC(C)COC(=O)C1=CC=CC=C1 CNP0127742.0 [1,1,0,0,0,0|0,0,0]=2 143 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 CNP0463813.0 [1,1,0,0,0,0|2,0,0]=4 144 B13R1.47 CCNC(C)C(=O)C1=CC=CC=C1 CNP0523333.0 [1,1,0,0,0,0|2,0,0]=4 145 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 CNP0318781.0 [1,1,0,0,0,0|2,0,0]=4 146 B13R1.674 C=CCOC(=O)C1=CC=CC=C1N CNP0100004.0 [1,1,0,0,0,0|0,0,2]=4 147 B13R1.674 CCCCC(=O)C1=CC=CC=C1O CNP0481328.0 [1,1,0,0,0,0|1,0,0]=3 148 B13R1.674 CCCOC(=O)C1=CC=CC=C1O CNP0611678.0 [1,1,0,0,0,0|0,0,0]=2 149 B13R1.674 O=C(OCCO)C1=CC=CC=C1O CNP0172292.0 [1,1,0,0,0,0|1,0,0]=3 150 B15R1.111 CC1=CC=C(C=C1)CC(=O)NCC(C)C CNP0555376.0 [0,1,0,0,0,1|2,0,0]=4 151 B15R1.111 CC1=CC=C(C=C1)NC(=O)CCC(C)C CNP0023410.0 [0,1,0,0,0,1|2,0,0]=4 152 B15R1.128 CCCCNC(=O)CC1=CC=C(C=C1)C CNP0572800.0 [0,1,0,0,0,1|2,0,0]=4 153 B15R1.5929 COC1=CC=C(C=C1)NC(=O)NCCO CNP0230485.0 [0,1,0,0,0,1|2,0,0]=4 154 B15R1.211 CC[C@@H](C)NC(=O)C1=CC=C(C=C1)OC CNP0563375.2 [0,2,0,0,0,0|1,0,0]=3 155 B15R1.211 CC[C@H](C)NC(=O)C1=CC=C(C=C1)OC CNP0563375.1 [0,2,0,0,0,0|1,0,0]=3 156 B15R1.30 O=C(CCCCCBr)C1=CC=C(C=C1)Br CNP0145701.0 [0,2,0,0,0,0|2,0,0]=4 157 B15R1.38 CCCCOS(=O)(=O)C1=CC=C(C=C1)C CNP0036687.0 [0,2,0,0,0,0|2,0,0]=4 158 B15R1.132 O=C(OC[C@@H](O)CO)C1=CC=C(C=C1)Cl CNP0362338.1 [0,2,0,0,0,0|1,0,0]=3 159 B15R1.132 O=C(OC[C@@H](O)CO)C1=CC=C(C=C1)O CNP0341942.1 [0,2,0,0,0,0|0,0,0]=2 160 B15R1.882 O=C(O)CCNC(=O)C1=CC=C(C=C1)O CNP0440636.0 [0,2,0,0,0,0|1,0,1]=4 161 B15R1.882 O=C([O-])CCNC(=O)C1=CC=C(C=C1)O CNP0503790.0 [0,2,0,0,0,0|1,0,1]=4 162 B15R1.1389 CCCCCC(=O)C1=CC=C(C=C1)CO CNP0140358.0 [0,2,0,0,0,0|1,0,0]=3 163 B15R1.1389 CCSCCC(=O)C1=CC=C(C=C1)OC CNP0369147.0 [0,2,0,0,0,0|1,0,0]=3 164 B15R1.1389 COC1=CC=C(C=C1)C(=O)CCCC#N CNP0043117.0 [0,2,0,0,0,0|1,0,1]=4 165 B15R1.1404 O=C(NCCCO)C1=CC=C(C(=C1)O)O CNP0432506.0 [0,2,0,0,0,0|1,0,0]=3 166 B15R1.880 CC(=O)C[C@H](O)C(=O)C1=CC=C(C=C1)O CNP0189483.1 [0,2,0,0,0,0|1,0,1]=4 167 B15R1.5 COC1=CC=C(C=C1)C(=O)CCN(C)C CNP0519747.0 [0,2,0,0,0,0|2,0,0]=4 168 B15R1.5 COC1=CC=C(C=C1)C(=O)OCC(=O)[O-] CNP0584466.0 [0,2,0,0,0,0|1,0,1]=4 169 B15R1.889 CC(C)NCC(=O)C1=CC=C(C(=C1)O)O CNP0229854.0 [0,2,0,0,0,0|2,0,0]=4 170 B15R1.1221 CCCOC(=O)C1=CC=C(C=C1)CCC CNP0535139.0 [0,2,0,0,0,0|1,0,0]=3 171 B15R1.1243 COC1=CC(=CC=C1O)C(=O)NCCO CNP0169368.0 [0,2,0,0,0,0|2,0,0]=4 172 B15R1.5924 CCCOC(=O)C1=CC(=C(C(=C1)O)O)O CNP0265257.0 [0,2,0,0,0,0|0,0,0]=2 173 B15R1.5924 COCOC(=O)C1=CC(=C(C(=C1)O)O)O CNP0612159.0 [0,2,0,0,0,0|1,0,0]=3 174 B13R2.5179 CC1=CC2=C(C=N1)C(=O)OCC2 CNP0251579.0 [1,0,0,1,0,0|2,0,0]=4 175 B13R2.5179 O=C1CCOC2=CC(=CC=C12)Br CNP0247122.0 [1,0,0,1,0,0|2,0,0]=4 176 B13R2.5179 O=C1CCOC2=CC(=CC=C12)O CNP0038707.0 [1,0,0,1,0,0|1,0,0]=3 177 B13R2.5187 CC1CC(=O)C2=CC=C(C=C12)O CNP0611868.0 [1,0,0,1,0,0|0,0,0]=2 178 B13R2.5187 CC1CC(=O)C2=NC=C(C=C12)O CNP0315960.0 [1,0,0,1,0,0|1,0,0]=3 179 B13R2.5187 C[C@@H]1CC(=O)C2=NC=C(C=C12)O CNP0315960.1 [1,0,0,1,0,0|1,0,0]=3 180 B13R2.3 C1=C(CCCC1)C2=CC=CC=C2 CNP0077019.0 [1,0,0,1,0,0|2,0,0]=4 181 B13R2.10 CC1COC(O1)C2=CC=CC=C2 CNP0291344.0 [1,0,0,1,0,0|0,0,2]=4 182 B13R2.371 O=C1CC[C@@H](C2=CC=CC=C12)O CNP0162052.1 [1,0,0,1,0,0|2,0,0]=4 183 B13R2.371 O=C1CC[C@H](C2=CC=CC=C12)O CNP0162052.2 [1,0,0,1,0,0|2,0,0]=4 184 B13R2.2931 CO[C@@H]1OC(=O)C2=CC=CC=C12 CNP0262154.1 [1,0,0,1,0,0|1,0,0]=3 185 B13R2.2931 CO[C@H]1OC(=O)C2=CC=CC=C12 CNP0262154.2 [1,0,0,1,0,0|1,0,0]=3 186 B15R2.29 OC1=CC=C(C=C1)O[C@@H]2CCCCO2 CNP0577274.2 [0,0,0,1,0,1|1,0,1]=4 187 B15R2.29 OC1=CC=C(C=C1)O[C@H]2CCCCO2 CNP0577274.1 [0,0,0,1,0,1|1,0,1]=4 188 B15R2.18925 O=C1CC[C@@H](N1C2=CC=C(C=C2)O)O CNP0331128.1 [0,0,0,1,0,1|2,0,0]=4 189 B15R2.63927 O=C1C[C@@H]([C@@H](C2=CC(=CC=C12)O)O)O CNP0563092.1 [0,1,0,1,0,0|2,0,0]=4 190 B15R2.56233 CCC[C@@H]1OC(=O)C2=CC=C(C=C12)O CNP0324047.1 [0,1,0,1,0,0|0,0,0]=2 191 B15R2.14787 CC1=CC=C2C(=O)CC[C@](C2=C1)(C)O CNP0190950.1 [0,1,0,1,0,0|2,0,0]=4 192 B15R2.22397 COC1=CC=C2C(=O)CCC(C2=C1)C CNP0196532.0 [0,1,0,1,0,0|1,0,0]=3 193 B15R2.63633 CC1=CC2=C(C=C1O)[C@@H](CCC2=O)C CNP0334289.1 [0,1,0,1,0,0|1,0,0]=3 194 B15R2.106940 O=C1O[C@H](C2=C1C=CC(=C2O)O)CO CNP0557635.1 [0,1,0,1,0,0|1,0,0]=3 195 B15R2.107168 CC[C@@H]1OC(=O)C2=CC(=C(C=C12)O)O CNP0072967.1 [0,1,0,1,0,0|0,0,0]=2 196 B15R2.14648 O=C1CC[C@@H](C2=CC(=CC(=C12)O)O)O CNP0285884.1 [0,1,0,1,0,0|2,0,0]=4 197 B15R2.14648 O=C1CC[C@H](C2=CC(=CC(=C12)O)O)O CNP0285884.2 [0,1,0,1,0,0|2,0,0]=4 198 B11R1.15 CCOC(=O)C1=CC(=CN1)C CNP0301824.0 [1,0,0,0,1,0|2,0,0]=4 199 B11R1.29 CCCCC(=O)C1=CC=CO1 CNP0002605.0 [1,0,0,0,1,0|2,0,0]=4 200 B11R1.29 CCCOC(=O)C1=CC=CO1 CNP0083141.0 [1,0,0,0,1,0|1,0,0]=3 201 B13R1.44 C=CCOC(=O)CC1=CC=CC=C1 CNP0293196.0 [1,0,0,0,0,1|0,0,2]=4 202 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 CNP0002493.0 [1,0,0,0,0,1|0,0,0]=2 203 B15R1.139 O=C(C=CC1=CC=C(C=C1)O)OCCO CNP0209774.0 [0,0,0,0,0,2|1,0,0]=3