0 B15R2.1428 CCCC=C1OC(=O)C2=C1CCC=C2 CNP0257129.0 [0,0,0,0,0,0|0,0,4]=4 1 B15R2.1428 CCCC=C1OC(=O)C2=CC=CC=C12 CNP0279341.0 [0,0,0,0,0,0|0,0,2]=2 2 B15R2.1428 CCCC=C1OC(=O)C2=CC=CCC12 CNP0076620.0 [0,0,0,0,0,0|0,0,4]=4 3 B15R2.1428 CCCC[C@@H]1OC(=O)C2=C1CCC=C2 CNP0290318.1 [0,0,0,0,0,0|0,0,2]=2 4 B15R2.1428 CCCC[C@@H]1OC(=O)C2=C1CCCC2 CNP0420781.1 [0,0,0,0,0,0|0,0,4]=4 5 B15R2.1428 CCCC[C@@H]1OC(=O)C2=CC=CC=C12 CNP0239407.1 [0,0,0,0,0,0|0,0,0]=0 6 B15R2.1428 CCCC[C@@H]1OC(=O)C2=CCCCC12 CNP0267388.2 [0,0,0,0,0,0|0,0,4]=4 7 B15R2.1428 CCCC[C@@H]1OC(=O)C2=CCCC[C@@H]12 CNP0267388.3 [0,0,0,0,0,0|0,0,4]=4 8 B15R2.1428 CCCC[C@@H]1OC(=O)C2=CCCC[C@H]12 CNP0267388.1 [0,0,0,0,0,0|0,0,4]=4 9 B15R2.1428 CCCC[C@@H]1OC(=O)[C@H]2C1=CCCC2 CNP0325596.1 [0,0,0,0,0,0|0,0,4]=4 10 B15R2.1428 CCCC[C@@H]1OC(=O)[C@H]2[C@@H]1CCC=C2 CNP0199838.1 [0,0,0,0,0,0|0,0,4]=4 11 B15R2.1428 CCCC[C@H]1OC(=O)C2=C1CCC=C2 CNP0290318.2 [0,0,0,0,0,0|0,0,2]=2 12 B15R2.1428 CCCC[C@H]1OC(=O)C2=CC=CC=C12 CNP0239407.2 [0,0,0,0,0,0|0,0,0]=0 13 B15R2.1428 CCCC[C@H]1OC(=O)[C@H]2[C@@H]1CCC=C2 CNP0199838.2 [0,0,0,0,0,0|0,0,4]=4 14 B15R2.1428 O=C1O[C@H](C2=CC=CC=C12)CCCO CNP0419299.1 [0,0,0,0,0,0|1,0,0]=1 15 B14R2.3 CCCCN1C=CC2=CC=CC=C12 CNP0206702.0 [1,0,0,0,0,0|2,0,0]=3 16 B14R2.3 NCCCN1C=CC2=CC=CC=C12 CNP0405277.0 [1,0,0,0,0,0|3,0,0]=4 17 B14R2.510 CCC=C1OC(=O)C2=CC=CC=C12 CNP0003339.0 [1,0,0,0,0,0|0,0,2]=3 18 B14R2.510 O=CO[C@@H]1OC(=O)C2=CC=CC=C12 CNP0025436.2 [1,0,0,0,0,0|2,0,1]=4 19 B14R2.510 O=CO[C@H]1OC(=O)C2=CC=CC=C12 CNP0025436.1 [1,0,0,0,0,0|2,0,1]=4 20 B16R2.6329 CCCCC=C1OC(=O)C2=C1CCC=C2 CNP0003416.0 [0,1,0,0,0,0|0,0,3]=4 21 B16R2.6329 CCCCCC1OC(=O)C2=C1CCC=C2 CNP0609821.0 [0,1,0,0,0,0|0,0,2]=3 22 B16R2.31647 CCCC=C1OC(=O)C2=C(C=CC=C12)O CNP0111291.0 [0,1,0,0,0,0|0,0,2]=3 23 B16R2.31647 CCCC[C@@H]1OC(=O)C2=C(C=CC=C12)O CNP0181320.1 [0,1,0,0,0,0|0,0,0]=1 24 B16R2.33556 CC[C@@H](O)/C=C/1\OC(=O)C2=CC=CC=C12 CNP0277142.4 [0,1,0,0,0,0|0,0,2]=3 25 B16R2.33556 CC[C@@H](O)/C=C\1/OC(=O)C2=CC=CC=C12 CNP0277142.1 [0,1,0,0,0,0|0,0,2]=3 26 B16R2.33556 CC[C@H](O)/C=C/1\OC(=O)C2=CC=CC=C12 CNP0277142.2 [0,1,0,0,0,0|0,0,2]=3 27 B16R2.33556 CC[C@H](O)/C=C\1/OC(=O)C2=CC=CC=C12 CNP0277142.3 [0,1,0,0,0,0|0,0,2]=3 28 B16R2.104522 CC(C)CC=C1OC(=O)C2=CC=CC=C12 CNP0066536.0 [0,1,0,0,0,0|0,0,2]=3 29 B16R2.165524 CCCC=C1OC(=O)C2=CC=CC(=C12)O CNP0264121.0 [0,1,0,0,0,0|0,0,2]=3 30 B16R2.165524 CCCC[C@@H]1OC(=O)C2=CC=CC(=C12)O CNP0238668.1 [0,1,0,0,0,0|0,0,0]=1 31 B16R2.165524 CCCC[C@H]1OC(=O)C2=C1[C@@H](CC=C2)O CNP0203151.1 [0,1,0,0,0,0|0,0,2]=3 32 B16R2.165527 CCCC=C1OC(=O)C2=CC=C(C=C12)O CNP0297169.0 [0,1,0,0,0,0|0,0,2]=3 33 B16R2.165527 CCCCC1OC(=O)C2=C1CC(C=C2)O CNP0085940.0 [0,1,0,0,0,0|0,0,2]=3 34 B16R2.165527 CCCCC1OC(=O)C2=CC=C(C=C12)O CNP0479511.0 [0,1,0,0,0,0|0,0,0]=1 35 B16R2.179048 CCCC[C@@]1(OC(=O)C2=C1CCC=C2)O CNP0337689.1 [0,1,0,0,0,0|0,0,2]=3 36 B14R1.38 CCCCCCC(=O)C1=CC=CC=N1 CNP0317762.0 [0,0,1,0,0,0|2,0,0]=3 37 B14R1.38 CCCCCOC(=O)C1=CC=CC=C1 CNP0333667.0 [0,0,1,0,0,0|0,0,0]=1 38 B14R1.903 CCC=CCC1=CC=CC=C1C(=O)O CNP0583501.0 [0,0,1,0,0,0|0,0,2]=3 39 B16R3.42212 CC[C@H]1C[C@]12OC(=O)C3=C2CCC=C3 CNP0095474.1 [0,0,0,1,0,0|0,0,2]=3 40 B16R2.1054 CC#CCC1=CC2=CC=CC=C2C(=O)O1 CNP0404145.0 [0,0,0,0,0,1|0,0,3]=4 41 B16R2.1054 CCC#CC1=CC2=CC=CC=C2C(=O)O1 CNP0282010.0 [0,0,0,0,0,1|0,0,3]=4 42 B16R2.1054 CCC=CC1=CC2=CC=CC=C2C(=O)O1 CNP0118482.0 [0,0,0,0,0,1|0,0,3]=4 43 B16R2.1054 O=C1N=C(NC2=CC=CC=C12)CCCO CNP0199984.0 [0,0,0,0,0,1|2,0,1]=4 44 B16R2.1054 O=C1NC(=NC2=CC=CC=C12)CCCO CNP0587416.0 [0,0,0,0,0,1|2,0,1]=4 45 B16R2.1054 O=C1O[C@@H](CC2=CC=CC=C12)C#CCCl CNP0164783.1 [0,0,0,0,0,1|1,0,2]=4 46 B16R2.12202 CCCNC1=CC(=O)OC2=CC=CC=C12 CNP0056917.0 [0,0,0,0,0,1|2,0,1]=4 47 B13R1.24 CC#CCCC(=O)C1=CC=CC=C1 CNP0333337.0 [1,0,1,0,0,0|0,0,2]=4 48 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 CNP0076659.0 [1,0,1,0,0,0|0,0,0]=2 49 B13R1.24 CCCCCC(O)C1=CC=CC=C1 CNP0356148.0 [1,0,1,0,0,0|0,0,2]=4 50 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 CNP0207399.0 [1,0,1,0,0,0|1,0,0]=3 51 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 CNP0250568.0 [1,0,1,0,0,0|0,0,0]=2 52 B13R1.24 CCCCOC(=O)C1=CC=CN=C1 CNP0071070.0 [1,0,1,0,0,0|1,0,0]=3 53 B13R1.24 CCCCO[C@H](C)C1=CC=CC=C1 CNP0178892.1 [1,0,1,0,0,0|1,0,1]=4 54 B13R1.24 CNCCCC(=O)C1=CC=CN=C1 CNP0204059.0 [1,0,1,0,0,0|2,0,0]=4 55 B13R1.24 N#CCCCC(=O)C1=CC=CC=C1 CNP0255387.0 [1,0,1,0,0,0|1,0,1]=4 56 B13R1.28 CCCCCCCC1=CC=CC=C1 CNP0084843.0 [1,0,1,0,0,0|1,0,1]=4 57 B13R1.26 COCC[C@@H](OC)C1=CC=CC=C1 CNP0070881.2 [1,0,1,0,0,0|1,0,1]=4 58 B13R1.26 COCC[C@H](OC)C1=CC=CC=C1 CNP0070881.1 [1,0,1,0,0,0|1,0,1]=4 59 B13R1.26 COCOC(C=O)C1=CC=CC=C1 CNP0149378.0 [1,0,1,0,0,0|2,0,0]=4 60 B13R1.572 CCCCC1=CC=CC=C1C(=O)N CNP0528180.0 [1,0,1,0,0,0|1,0,0]=3 61 B13R1.572 CC[Hg]SC1=CC=CC=C1C(=O)O CNP0573834.0 [1,0,1,0,0,0|2,0,0]=4 62 B13R1.572 O=C(O)C1=CC=CC=C1NCCO CNP0454028.0 [1,0,1,0,0,0|2,0,0]=4 63 B13R1.565 CCC[C@@H]1C=C(C(=O)O1)/C=C/CO CNP0280099.1 [1,0,1,0,0,0|1,0,1]=4 64 B13R1.565 CCC[C@H]1C=C(C(=O)O1)/C=C/CO CNP0280099.2 [1,0,1,0,0,0|1,0,1]=4 65 B13R2.2931 CO[C@@H]1OC(=O)C2=CC=CC=C12 CNP0262154.1 [2,0,0,0,0,0|1,0,0]=3 66 B13R2.2931 CO[C@H]1OC(=O)C2=CC=CC=C12 CNP0262154.2 [2,0,0,0,0,0|1,0,0]=3 67 B15R1.30 O=C(CCCCCBr)C1=CC=C(C=C1)Br CNP0145701.0 [0,1,1,0,0,0|2,0,0]=4 68 B15R1.31 CCCCCOC(=O)C1=CC=CC(=C1)N CNP0215417.0 [0,1,1,0,0,0|0,0,0]=2 69 B15R1.93 CCCCCC(=O)C(=O)C1=CC=CC=C1 CNP0483969.0 [0,1,1,0,0,0|1,0,0]=3 70 B15R1.138 CCC=CCCOC(=O)C1=CC=CC=C1 CNP0400380.0 [0,1,1,0,0,0|0,0,1]=3 71 B15R1.138 CCCC=CCOC(=O)C1=CC=CC=C1 CNP0126026.0 [0,1,1,0,0,0|0,0,1]=3 72 B15R1.138 CCCCC=COC(=O)C1=CC=CC=C1 CNP0376412.0 [0,1,1,0,0,0|0,0,1]=3 73 B15R1.138 CCCCCCOC(=O)C1=CC=CC=C1 CNP0217855.0 [0,1,1,0,0,0|0,0,0]=2 74 B15R1.138 NCCCCCNC(=O)C1=CC=CC=C1 CNP0122246.0 [0,1,1,0,0,0|1,0,0]=3 75 B15R1.138 NCCCCCOC(=O)C1=CC=CC=C1 CNP0611531.0 [0,1,1,0,0,0|0,0,0]=2 76 B15R1.138 O=C(OCCOCCO)C1=CC=CC=C1 CNP0225671.0 [0,1,1,0,0,0|1,0,0]=3 77 B15R1.497 CN(C)CCCOC(=O)C1=CC=CC=C1 CNP0046718.0 [0,1,1,0,0,0|1,0,0]=3 78 B15R1.959 CCC(=O)CCCC(=O)C1=CC=CC=C1 CNP0212147.0 [0,1,1,0,0,0|1,0,1]=4 79 B15R1.3965 CCCCCOC(=O)C1=CC=CC=C1Cl CNP0055636.0 [0,1,1,0,0,0|0,0,0]=2 80 B15R1.3965 CCCCCOC(=O)C1=CC=CC=C1O CNP0241972.0 [0,1,1,0,0,0|0,0,0]=2 81 B15R1.241 CCCCC=CC1=CC=CC=C1C(=O)O CNP0585170.0 [0,1,1,0,0,0|0,0,1]=3 82 B15R1.1239 CCCCC(=O)C1=CC=CC=C1C(=O)O CNP0219505.0 [0,1,1,0,0,0|0,0,1]=3 83 B15R1.2336 CCCC[C@H](O)C1=CC=CC(=C1CO)O CNP0186268.1 [0,1,1,0,0,0|0,0,2]=4 84 B15R2.6 CC(C)CC[C@@H]1CCC2=CC=CC=C12 CNP0296315.1 [1,1,0,0,0,0|1,0,1]=4 85 B15R2.11504 O=C1O[C@H](C2=CC=CC(=C12)O)CCO CNP0109043.1 [1,1,0,0,0,0|1,0,0]=3 86 B15R2.23388 CCC(=C1OC(=O)C2=CC=CC=C12)C CNP0423675.0 [1,1,0,0,0,0|0,0,2]=4 87 B15R2.53147 CC(=O)O[C@@H]1OC(=O)C2=CC=CC=C12 CNP0051044.1 [1,1,0,0,0,0|1,0,1]=4 88 B15R2.53147 CC(=O)O[C@H]1OC(=O)C2=CC=CC=C12 CNP0051044.2 [1,1,0,0,0,0|1,0,1]=4 89 B15R2.53147 CC(C)C=C1OC(=O)C2=CC=CC=C12 CNP0155304.0 [1,1,0,0,0,0|0,0,2]=4 90 B15R2.53147 NC(=O)C[C@@H]1OC(=O)C2=CC=CC=C12 CNP0200966.2 [1,1,0,0,0,0|1,0,1]=4 91 B15R2.53147 NC(=O)C[C@H]1OC(=O)C2=CC=CC=C12 CNP0200966.1 [1,1,0,0,0,0|1,0,1]=4 92 B15R2.56233 CCC[C@@H]1OC(=O)C2=CC=C(C=C12)O CNP0324047.1 [1,1,0,0,0,0|0,0,0]=2 93 B17R2.12072 CCCCCC1=CC(=O)C2=CC=CC=C2N1 CNP0515230.0 [0,1,0,0,0,1|1,0,1]=4 94 B17R2.40403 CC(C)CCC1=CC(=O)C2=CC=CC=C2N1 CNP0072745.0 [0,1,0,0,0,1|1,0,1]=4 95 B17R2.40403 CC(C)CCC1=NC2=CC=CC=C2C(=O)C1 CNP0501181.0 [0,1,0,0,0,1|1,0,1]=4 96 B17R2.40403 CC(C)COC1=NC2=CC=CC=C2C(=O)O1 CNP0364355.0 [0,1,0,0,0,1|1,0,1]=4 97 B17R2.93083 CCCCC1(CC2=CC=CC=C2C(=O)N1)C CNP0410024.0 [0,1,0,0,0,1|1,0,0]=3 98 B17R2.339897 O=C1O[C@@H](CC2=CC=CC(=C12)O)CCCO CNP0071861.1 [0,1,0,0,0,1|1,0,0]=3 99 B17R2.345881 CCCC=C1OCC(=O)C2=CC=CC(=C12)O CNP0250718.0 [0,1,0,0,0,1|0,0,2]=4 100 B17R2.78537 CN(C)CCC[C@@H]1OC(=O)C2=CC=CC=C12 CNP0301793.1 [0,2,0,0,0,0|0,0,0]=2 101 B17R2.53467 C=CCC[C@@H]1OC(=O)C2=C(C=CC=C12)OC CNP0462970.1 [0,2,0,0,0,0|0,0,2]=4 102 B17R2.53467 CCCC[C@@H]1OC(=O)C2=C(C=CC=C12)OC CNP0328809.1 [0,2,0,0,0,0|0,0,0]=2 103 B17R2.53482 CCCC[C@@H]1OC(=O)C2=C(C=CC(=C12)O)O CNP0293895.1 [0,2,0,0,0,0|0,0,0]=2 104 B17R2.364918 CC[C@@H](O)C[C@@H]1OC(=O)C2=C(C=CC=C12)O CNP0354069.1 [0,2,0,0,0,0|0,0,0]=2 105 B17R2.364918 COC(=O)C[C@@H]1OC(=O)C2=C(C=CC=C12)O CNP0154581.1 [0,2,0,0,0,0|1,0,1]=4 106 B17R2.364918 COC(=O)C[C@H]1OC(=O)C2=C(C=CC=C12)O CNP0154581.2 [0,2,0,0,0,0|1,0,1]=4 107 B17R2.266377 C[C@@H](O)CCC1OC(=O)C2=CC=C(C=C12)O CNP0247741.1 [0,2,0,0,0,0|0,0,0]=2 108 B17R2.266377 C[C@@H](O)CC[C@@H]1OC(=O)C2=CC=C(C=C12)O CNP0247741.2 [0,2,0,0,0,0|0,0,0]=2 109 B13R0.54 CCCCCC=CC=CC=CC(=O)O CNP0003430.0 [0,0,2,0,0,0|0,0,0]=2 110 B13R0.54 CCCCCC=CCCC=CC(=O)O CNP0290016.0 [0,0,2,0,0,0|0,0,2]=4 111 B13R0.54 CCCCCCCC=CC=CC(=O)O CNP0115107.0 [0,0,2,0,0,0|0,0,2]=4 112 B15R2.2226 O=C(C1=CC=CC=C1)N2CCCCC2 CNP0185237.0 [0,0,1,1,0,0|1,0,0]=3 113 B15R2.2226 O=C(C1=CC=CC=C1)N2CCOCC2 CNP0212941.0 [0,0,1,1,0,0|2,0,0]=4 114 B15R2.21 O=CN1CCCC[C@@H]1C2=CC=CN=C2 CNP0175958.1 [0,0,1,1,0,0|2,0,0]=4 115 B15R2.886 CCCC1=CC2=CC=CC=C2C(=O)O1 CNP0140490.0 [0,0,1,1,0,0|0,0,2]=4 116 B15R2.886 CCCC1=NC2=CC=CC=C2C(=O)O1 CNP0407619.0 [0,0,1,1,0,0|1,0,1]=4 117 B15R3.1995 O[C@@]12CCCC[C@@H]1C3=CC=CC=C23 CNP0068486.2 [0,0,0,1,1,0|0,0,2]=4 118 B15R3.1995 O[C@@]12CCCC[C@H]1C3=CC=CC=C23 CNP0068486.4 [0,0,0,1,1,0|0,0,2]=4 119 B15R3.1995 O[C@]12CCCC[C@@H]1C3=CC=CC=C23 CNP0068486.3 [0,0,0,1,1,0|0,0,2]=4 120 B15R3.1995 O[C@]12CCCC[C@H]1C3=CC=CC=C23 CNP0068486.1 [0,0,0,1,1,0|0,0,2]=4 121 B17R3.35227 O=C1C2=CC=CC=C2C[C@@H]3N1CCCC3 CNP0109783.2 [0,0,0,1,0,1|1,0,0]=3 122 B17R3.35227 O=C1C2=CC=CC=C2C[C@H]3N1CCCC3 CNP0109783.1 [0,0,0,1,0,1|1,0,0]=3 123 B17R3.35227 O=C1C2=CC=CC=C2N=C3N1CCCC3 CNP0224026.0 [0,0,0,1,0,1|1,0,1]=4 124 B17R3.20641 CN1CCCC12N=C(C3=CC=CC=C23)O CNP0535105.0 [0,1,0,1,0,0|1,0,1]=4 125 B17R3.20641 CN1CCC[C@]12NC(=O)C3=CC=CC=C23 CNP0223889.1 [0,1,0,1,0,0|1,0,0]=3 126 B17R3.20641 CN1CCC[C@]12OC(=O)C3=CC=CC=C23 CNP0314490.1 [0,1,0,1,0,0|0,0,0]=2 127 B17R3.43858 CCC[C@@H]1O[C@@]12OC(=O)C3=C2CCC=C3 CNP0358053.1 [0,1,0,1,0,0|0,0,2]=4 128 B17R3.421193 O=C1CCC2(O1)OC(=O)C3=CC=CC=C23 CNP0038603.0 [0,1,0,1,0,0|1,0,1]=4 129 B13R1.48 CCCCCCC(=O)C1=CC=CS1 CNP0123160.0 [0,0,1,0,1,0|2,0,0]=4 130 B13R1.670 CCCCCN1C=CC=C1C(=O)C CNP0166784.0 [0,0,1,0,1,0|2,0,0]=4 131 B13R2.1028 CCCC[C@@H]1CC2=CC=CC=C12 CNP0172495.2 [1,0,0,0,1,0|0,0,1]=3 132 B13R2.1028 CCCC[C@H]1CC2=CC=CC=C12 CNP0172495.1 [1,0,0,0,1,0|0,0,1]=3 133 B15R1.83 CCCCCOC(=O)CC1=CC=CC=C1 CNP0179724.0 [0,0,1,0,0,1|0,0,0]=2