0 B10R0.71 C#CC=CC#CCCCCC CNP0547253.0 [0,0,0,0,0,0|1,0,3]=4 1 B10R0.71 C=CC=CC=CC=CCCC CNP0533650.0 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.71 C=CC=CC=CCC=CCC CNP0265258.0 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.71 C=CC=CC=CCCCCC CNP0263390.0 [0,0,0,0,0,0|1,0,0]=1 4 B10R0.71 C=CCC=CCCCCCC CNP0017831.0 [0,0,0,0,0,0|1,0,2]=3 5 B10R0.71 C=CCCC=CCCCCC CNP0165546.0 [0,0,0,0,0,0|1,0,2]=3 6 B10R0.71 C=CCCCCCC=CC=O CNP0192326.0 [0,0,0,0,0,0|0,0,4]=4 7 B10R0.71 CC=CC=CC=CC=CC=O CNP0302778.0 [0,0,0,0,0,0|0,0,4]=4 8 B10R0.71 CC=CC=CC=CC=CCC CNP0259924.0 [0,0,0,0,0,0|1,0,3]=4 9 B10R0.71 CC=CCCCCCCCC CNP0174654.0 [0,0,0,0,0,0|1,0,3]=4 10 B10R0.71 CCC#CC=CCCCCC CNP0109430.0 [0,0,0,0,0,0|1,0,3]=4 11 B10R0.71 CCC=CCC=CC=CC=O CNP0218571.0 [0,0,0,0,0,0|0,0,2]=2 12 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [0,0,0,0,0,0|1,0,3]=4 13 B10R0.71 CCCC#CC#CC=CC=O CNP0333966.0 [0,0,0,0,0,0|0,0,4]=4 14 B10R0.71 CCCC=CC#CC=CC=O CNP0198876.0 [0,0,0,0,0,0|0,0,4]=4 15 B10R0.71 CCCC=CC=CC=CC=O CNP0254446.0 [0,0,0,0,0,0|0,0,2]=2 16 B10R0.71 CCCC=CCCCCCC CNP0153165.0 [0,0,0,0,0,0|1,0,3]=4 17 B10R0.71 CCCCC=CCCCC=O CNP0003436.0 [0,0,0,0,0,0|0,0,4]=4 18 B10R0.71 CCCCC=CCCCCC CNP0245948.0 [0,0,0,0,0,0|1,0,3]=4 19 B10R0.71 CCCCCC=CC=CC=O CNP0213382.0 [0,0,0,0,0,0|0,0,0]=0 20 B10R0.71 CCCCCC=CC=CCO CNP0002926.0 [0,0,0,0,0,0|0,0,2]=2 21 B10R0.71 CCCCCC=CCCC=O CNP0153870.0 [0,0,0,0,0,0|0,0,2]=2 22 B10R0.71 CCCCCC=CCCCO CNP0003298.0 [0,0,0,0,0,0|0,0,4]=4 23 B10R0.71 CCCCCCC=CCCO CNP0105271.0 [0,0,0,0,0,0|0,0,4]=4 24 B10R0.71 CCCCCCCC=CC=O CNP0164061.0 [0,0,0,0,0,0|0,0,2]=2 25 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [0,0,0,0,0,0|0,0,4]=4 26 B10R0.71 CCCCCCCCCC=O CNP0263174.0 [0,0,0,0,0,0|0,0,4]=4 27 B10R0.71 CCCCCCCCOC=O CNP0223737.0 [0,0,0,0,0,0|1,0,3]=4 28 B9R0.45 C#CC=CCCCCCC CNP0397372.0 [1,0,0,0,0,0|0,0,3]=4 29 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [1,0,0,0,0,0|0,0,1]=2 30 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [1,0,0,0,0,0|0,0,1]=2 31 B9R0.45 C=CCCCCC=CC=O CNP0336922.0 [1,0,0,0,0,0|0,0,3]=4 32 B9R0.45 C=CCCCCCCCC CNP0330037.0 [1,0,0,0,0,0|0,0,3]=4 33 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [1,0,0,0,0,0|0,0,1]=2 34 B9R0.45 CCC=CCC=CCC=O CNP0146228.0 [1,0,0,0,0,0|0,0,3]=4 35 B9R0.45 CCC=CCCC=CC=O CNP0253048.0 [1,0,0,0,0,0|0,0,3]=4 36 B9R0.45 CCC=CCCCCCC CNP0223572.0 [1,0,0,0,0,0|0,0,3]=4 37 B9R0.45 CCCC=CCCCCC CNP0076954.0 [1,0,0,0,0,0|0,0,3]=4 38 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [1,0,0,0,0,0|0,0,0]=1 39 B9R0.45 CCCCC=CC=CCO CNP0116173.0 [1,0,0,0,0,0|0,0,2]=3 40 B9R0.45 CCCCC=CCCC=O CNP0314028.0 [1,0,0,0,0,0|0,0,2]=3 41 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [1,0,0,0,0,0|0,0,1]=2 42 B9R0.45 CCCCCC=CCCO CNP0111850.0 [1,0,0,0,0,0|0,0,3]=4 43 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [1,0,0,0,0,0|0,0,1]=2 44 B9R0.45 CCCCCCC=CCO CNP0303395.0 [1,0,0,0,0,0|0,0,3]=4 45 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [1,0,0,0,0,0|0,0,3]=4 46 B9R0.45 CCCCCCCC=CO CNP0085832.0 [1,0,0,0,0,0|0,0,3]=4 47 B9R0.45 CCCCCCCCC=O CNP0328165.0 [1,0,0,0,0,0|0,0,3]=4 48 B9R0.45 CCCCCCCNC=O CNP0503918.0 [1,0,0,0,0,0|1,0,2]=4 49 B9R0.45 CCCCCCCOC=O CNP0272781.0 [1,0,0,0,0,0|1,0,2]=4 50 B11R0.3 C=CC=CC=CCCCCCC CNP0076022.0 [0,1,0,0,0,0|1,0,0]=2 51 B11R0.3 C=CC=CCC=CCCC=CC CNP0611874.0 [0,1,0,0,0,0|1,0,2]=4 52 B11R0.3 C=CCCC=CC=CCCCC CNP0508766.0 [0,1,0,0,0,0|1,0,2]=4 53 B11R0.3 C=CCCCCC=CC=CC=O CNP0137973.0 [0,1,0,0,0,0|0,0,1]=2 54 B11R0.3 C=CCCCCCCC=CC=O CNP0200049.0 [0,1,0,0,0,0|0,0,3]=4 55 B11R0.3 CC=CC=CC=CC=CCCC CNP0251289.0 [0,1,0,0,0,0|1,0,2]=4 56 B11R0.3 CC=CC=CCCCCCCC CNP0241958.0 [0,1,0,0,0,0|1,0,1]=3 57 B11R0.3 CCCCCC=CCC=CC=O CNP0003106.0 [0,1,0,0,0,0|0,0,0]=1 58 B11R0.3 CCCCCCC=CC=CC=O CNP0162200.0 [0,1,0,0,0,0|0,0,0]=1 59 B11R0.3 CCCCCCC=CCCC=O CNP0198080.0 [0,1,0,0,0,0|0,0,2]=3 60 B11R0.3 CCCCCCCCC=CC=O CNP0117259.0 [0,1,0,0,0,0|0,0,2]=3 61 B11R0.4 C/C=C/C=C/CC[C@H](O)CCC CNP0425665.1 [0,1,0,0,0,0|1,0,1]=3 62 B11R0.4 CC=CC(=O)OCCCCCC CNP0002922.0 [0,1,0,0,0,0|2,0,1]=4 63 B11R0.4 CCCCCC=CC(=O)OCC CNP0259768.0 [0,1,0,0,0,0|2,0,1]=4 64 B11R0.40 C#CC(=O)C=CCCCCCC CNP0575138.0 [0,1,0,0,0,0|1,0,2]=4 65 B11R0.40 C=C[C@@H](O)C/C=C/CCCCC CNP0262643.1 [0,1,0,0,0,0|1,0,2]=4 66 B11R0.40 C=C[C@@H](O)C/C=C\CCCCC CNP0262643.2 [0,1,0,0,0,0|1,0,2]=4 67 B11R0.40 CCCCCC=CCC(=O)OC CNP0154150.0 [0,1,0,0,0,0|2,0,1]=4 68 B11R0.40 CCCCCCC=CC(=O)OC CNP0002510.0 [0,1,0,0,0,0|2,0,1]=4 69 B11R0.40 CC[C@H](O)/C=C/C=C/C=C/C=O CNP0177295.1 [0,1,0,0,0,0|0,0,2]=3 70 B11R0.40 CC[C@H](O)/C=C/C=C\C=C\C=O CNP0177295.2 [0,1,0,0,0,0|0,0,2]=3 71 B11R0.40 CC[C@H](O)/C=C\C=C/C=C/C=O CNP0177295.3 [0,1,0,0,0,0|0,0,2]=3 72 B11R0.81 CCCCCCC(=O)CCC=O CNP0001517.0 [0,1,0,0,0,0|0,0,3]=4 73 B11R0.148 CCC=CCC=CC=CC(=O)O CNP0120995.0 [0,1,0,0,0,0|0,0,2]=3 74 B11R0.148 CCCC=CC=CC=CC(=O)O CNP0201761.0 [0,1,0,0,0,0|0,0,2]=3 75 B11R0.148 CCCCCC=CC=CC(=O)N CNP0278760.0 [0,1,0,0,0,0|0,0,0]=1 76 B11R0.148 CCCCCC=CC=CC(=O)O CNP0190967.0 [0,1,0,0,0,0|0,0,0]=1 77 B11R0.148 CCCCCC=CCCC(=O)C CNP0261656.0 [0,1,0,0,0,0|0,0,2]=3 78 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [0,1,0,0,0,0|0,0,2]=3 79 B11R0.148 CCCCCC=CCOC(=O)C CNP0255180.0 [0,1,0,0,0,0|1,0,1]=3 80 B11R0.148 CCCCCCC=CCC(=O)O CNP0245227.0 [0,1,0,0,0,0|0,0,2]=3 81 B11R0.148 CCCCCCC=COC(=O)C CNP0097984.0 [0,1,0,0,0,0|1,0,1]=3 82 B11R0.148 CCCCCCCC=CC(=O)C CNP0126399.0 [0,1,0,0,0,0|0,0,2]=3 83 B11R0.148 CCCCCCCC=CC(=O)N CNP0448361.0 [0,1,0,0,0,0|0,0,2]=3 84 B11R0.148 CCCCCCCC=CC(=O)O CNP0134914.0 [0,1,0,0,0,0|0,0,2]=3 85 B11R1.4 CCCCCCC1=CC=CN1 CNP0018367.0 [0,0,0,1,0,0|1,0,1]=3 86 B11R1.4 CCCCCCC1=CC=CO1 CNP0305092.0 [0,0,0,1,0,0|0,0,2]=3 87 B11R1.4 CCCCCCC1=CC=CS1 CNP0087331.0 [0,0,0,1,0,0|0,1,1]=3 88 B11R1.17 CCCCC1=CC=CC=C1N CNP0540375.0 [0,0,0,1,0,0|1,0,1]=3 89 B11R1.17 CCCCC1=CC=CC=C1O CNP0266584.0 [0,0,0,1,0,0|0,0,2]=3 90 B11R1.17 CCCOC1=CC=CC=C1O CNP0327850.0 [0,0,0,1,0,0|1,0,2]=4 91 B11R1.17 CCOCC1=CC=CC=C1O CNP0002484.0 [0,0,0,1,0,0|1,0,2]=4 92 B11R1.17 N#CCCN1C=CC=CC1=O CNP0136265.0 [0,0,0,1,0,0|2,0,1]=4 93 B11R1.17 OCCCC1=CC=CC=C1O CNP0519688.0 [0,0,0,1,0,0|1,0,2]=4 94 B11R1.18 C=C[C@@H]1CC=C[C@@H]1CCCC CNP0288194.2 [0,0,0,1,0,0|1,0,2]=4 95 B11R1.18 C=C[C@H]1CC=C[C@@H]1CCCC CNP0288194.3 [0,0,0,1,0,0|1,0,2]=4 96 B11R1.18 C=C[C@H]1CC=C[C@H]1CCCC CNP0288194.1 [0,0,0,1,0,0|1,0,2]=4 97 B11R1.18 CCCCN1C=CC=C1C=O CNP0278806.0 [0,0,0,1,0,0|1,0,0]=2 98 B11R1.18 COCCN1C=CC=C1C=O CNP0299932.0 [0,0,0,1,0,0|2,0,0]=3 99 B11R1.28 C/C=C/C=C/[C@@H]1CCCCN1 CNP0346863.2 [0,0,0,1,0,0|2,0,1]=4 100 B11R1.28 C/C=C/C=C/[C@H]1CCCCN1 CNP0346863.1 [0,0,0,1,0,0|2,0,1]=4 101 B11R1.28 CC=CC=CC1=NCCCC1 CNP0411181.0 [0,0,0,1,0,0|2,0,0]=3 102 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [0,0,0,1,0,0|1,0,2]=4 103 B11R1.28 CC=CCCC1=CC=CC=N1 CNP0080786.0 [0,0,0,1,0,0|1,0,2]=4 104 B11R1.28 CCCC=CC1=CC=CC=C1 CNP0133408.0 [0,0,0,1,0,0|1,0,2]=4 105 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [0,0,0,1,0,0|1,0,0]=2 106 B11R1.28 CCCCCC1=CC=CC=N1 CNP0343431.0 [0,0,0,1,0,0|1,0,0]=2 107 B11R1.28 CCCCCC1=CC=CCC1 CNP0611886.0 [0,0,0,1,0,0|1,0,1]=3 108 B11R1.28 CCCCCC1=CC=CN=C1 CNP0268691.0 [0,0,0,1,0,0|2,0,0]=3 109 B11R1.28 CCCCCC1=CN=CC=N1 CNP0479793.0 [0,0,0,1,0,0|2,0,0]=3 110 B11R1.28 CCCCC[C@@H]1C=CC=CC1 CNP0281736.1 [0,0,0,1,0,0|1,0,1]=3 111 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [0,0,0,1,0,0|2,0,0]=3 112 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [0,0,0,1,0,0|2,0,0]=3 113 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [0,0,0,1,0,0|2,0,0]=3 114 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [0,0,0,1,0,0|2,0,0]=3 115 B11R1.28 COCCOC1=CC=CC=C1 CNP0511350.0 [0,0,0,1,0,0|3,0,0]=4 116 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [0,0,0,1,0,0|2,0,0]=3 117 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [0,0,0,1,0,0|2,0,0]=3 118 B11R1.41 CCOC1=CC=CC=C1C=O CNP0187800.0 [0,0,0,1,0,0|1,0,2]=4 119 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [0,0,0,1,0,0|1,0,2]=4 120 B11R1.180 CCCCCC1=CCCC1=O CNP0080134.0 [0,0,0,1,0,0|0,0,2]=3 121 B11R1.180 CCCCC[C@@H]1CC=CC1=O CNP0037134.2 [0,0,0,1,0,0|0,0,2]=3 122 B11R1.180 CCCCC[C@H]1CC=CC1=O CNP0037134.1 [0,0,0,1,0,0|0,0,2]=3 123 B11R1.203 CCCC[C@@H]1C=CCC=CC1 CNP0118710.2 [0,0,0,1,0,0|1,0,1]=3 124 B11R1.203 CCCC[C@H]1C=CCC=CC1 CNP0118710.1 [0,0,0,1,0,0|1,0,1]=3 125 B11R1.216 CCCCC1OC1C=CC=O CNP0451986.0 [0,0,0,1,0,0|1,0,1]=3 126 B8R0.4 C=CC=CCCCCC CNP0389218.0 [2,0,0,0,0,0|0,0,0]=2 127 B8R0.4 C=CCC=CC=CC=O CNP0394181.0 [2,0,0,0,0,0|0,0,2]=4 128 B8R0.4 C=CCCCCCCC CNP0317850.0 [2,0,0,0,0,0|0,0,2]=4 129 B8R0.4 CC=C=CCCCCC CNP0555445.0 [2,0,0,0,0,0|0,0,2]=4 130 B8R0.4 CC=CC=CCCCO CNP0492923.0 [2,0,0,0,0,0|1,0,1]=4 131 B8R0.4 CC=CCCC=CC=O CNP0002598.0 [2,0,0,0,0,0|0,0,2]=4 132 B8R0.4 CC=CCCCCCC CNP0241269.0 [2,0,0,0,0,0|0,0,2]=4 133 B8R0.4 CCC=CCCCCC CNP0539420.0 [2,0,0,0,0,0|0,0,2]=4 134 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [2,0,0,0,0,0|0,0,0]=2 135 B8R0.4 CCCC=CC=CCO CNP0175481.0 [2,0,0,0,0,0|0,0,2]=4 136 B8R0.4 CCCC=CCOC=O CNP0131807.0 [2,0,0,0,0,0|1,0,1]=4 137 B8R0.4 CCCCC=CCC=O CNP0207183.0 [2,0,0,0,0,0|0,0,1]=3 138 B8R0.4 CCCCC=COC=O CNP0604660.0 [2,0,0,0,0,0|1,0,0]=3 139 B8R0.4 CCCCCC=CC=O CNP0192932.0 [2,0,0,0,0,0|0,0,0]=2 140 B8R0.4 CCCCCC=CCO CNP0113756.0 [2,0,0,0,0,0|0,0,2]=4 141 B8R0.4 CCCCCCC=CO CNP0605778.0 [2,0,0,0,0,0|0,0,2]=4 142 B8R0.4 CCCCCCCC=O CNP0146292.0 [2,0,0,0,0,0|0,0,2]=4 143 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [2,0,0,0,0,0|0,0,2]=4 144 B8R0.4 CCCCCCOC=O CNP0086211.0 [2,0,0,0,0,0|1,0,1]=4 145 B10R0.4 C=CC=CC=CCCC(=O)C CNP0477041.0 [1,1,0,0,0,0|0,0,2]=4 146 B10R0.4 CCCCC=CC=CC(=O)O CNP0140423.0 [1,1,0,0,0,0|0,0,0]=2 147 B10R0.4 CCCCC=CCOC(=O)C CNP0160804.0 [1,1,0,0,0,0|1,0,1]=4 148 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [1,1,0,0,0,0|0,0,1]=3 149 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [1,1,0,0,0,0|0,0,1]=3 150 B10R0.4 CCCCCC=COC(=O)C CNP0612173.0 [1,1,0,0,0,0|1,0,0]=3 151 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [1,1,0,0,0,0|0,0,1]=3 152 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [1,1,0,0,0,0|0,0,1]=3 153 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [1,1,0,0,0,0|0,0,1]=3 154 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [1,1,0,0,0,0|0,0,1]=3 155 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [1,1,0,0,0,0|0,0,2]=4 156 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [1,1,0,0,0,0|1,0,1]=4 157 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [1,1,0,0,0,0|1,0,1]=4 158 B10R0.91 C=CCSC(=O)CCCCC CNP0018361.0 [1,1,0,0,0,0|1,0,1]=4 159 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [1,1,0,0,0,0|0,0,2]=4 160 B10R0.91 CCCCCC(=O)C=CC=O CNP0346772.0 [1,1,0,0,0,0|0,0,0]=2 161 B10R0.91 CCCCCC(=O)C=CCO CNP0135755.0 [1,1,0,0,0,0|0,0,2]=4 162 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [1,1,0,0,0,0|0,0,2]=4 163 B10R0.91 CCCCC[C@@H](O)/C=C/C=O CNP0377024.2 [1,1,0,0,0,0|0,0,1]=3 164 B10R0.91 CCCCC[C@H](O)/C=C/C=O CNP0377024.1 [1,1,0,0,0,0|0,0,1]=3 165 B12R0.5 C=CCC=CCC=CCCCCC CNP0246182.0 [0,2,0,0,0,0|1,0,0]=3 166 B12R0.5 C=CCCCCCC=CC=CC=O CNP0223164.0 [0,2,0,0,0,0|0,0,0]=2 167 B12R0.5 CC=CC=CCCCCCCCO CNP0203441.0 [0,2,0,0,0,0|1,0,1]=4 168 B12R0.5 CCC=CC=CCCCCCCO CNP0161971.0 [0,2,0,0,0,0|1,0,1]=4 169 B12R0.5 CCCCC=CC=CCCCC=O CNP0280638.0 [0,2,0,0,0,0|0,0,2]=4 170 B12R0.5 CCCCCC=CCC=CCCO CNP0286324.0 [0,2,0,0,0,0|0,0,2]=4 171 B12R0.5 CCCCCC=CCCC=CC=O CNP0168017.0 [0,2,0,0,0,0|0,0,0]=2 172 B12R0.5 CCCCCC=CCCCCC=O CNP0590554.0 [0,2,0,0,0,0|0,0,2]=4 173 B12R0.5 CCCCCCC=CC=CC=CO CNP0355741.0 [0,2,0,0,0,0|0,0,1]=3 174 B12R0.5 CCCCCCC=CC=CCCO CNP0364661.0 [0,2,0,0,0,0|0,0,2]=4 175 B12R0.5 CCCCCCC=CCCCC=O CNP0205630.0 [0,2,0,0,0,0|0,0,2]=4 176 B12R0.5 CCCCCCCC=CC=CC=O CNP0081684.0 [0,2,0,0,0,0|0,0,0]=2 177 B12R0.5 CCCCCCCCCC=CC=O CNP0141647.0 [0,2,0,0,0,0|0,0,2]=4 178 B12R0.234 CCCCCC/C=C/C=C/[C@H](C)N CNP0115359.1 [0,2,0,0,0,0|1,0,1]=4 179 B12R0.234 CCCCCC/C=C\C=C\[C@H](C)N CNP0115359.2 [0,2,0,0,0,0|1,0,1]=4 180 B12R0.234 CCCCCCC=CC=CC(C)C CNP0218670.0 [0,2,0,0,0,0|1,0,1]=4 181 B12R0.234 CCCCCCCC=CCC(=O)C CNP0496301.0 [0,2,0,0,0,0|0,0,2]=4 182 B12R0.234 CCCCCCCCC=CC(=O)O CNP0422564.0 [0,2,0,0,0,0|0,0,2]=4 183 B12R0.234 O=C(O)C=CCCCCCCCO CNP0181289.0 [0,2,0,0,0,0|0,0,2]=4 184 B12R0.248 CCC=CCC=CC=CC(=O)OC CNP0018410.0 [0,2,0,0,0,0|0,0,2]=4 185 B12R0.248 CCCC=CC=CC=CC(=O)OC CNP0248466.0 [0,2,0,0,0,0|0,0,2]=4 186 B12R0.248 CCCCCC=CC=CC(=O)OC CNP0149314.0 [0,2,0,0,0,0|0,0,0]=2 187 B12R0.248 CCCCCC=CCCC(=O)OC CNP0112743.0 [0,2,0,0,0,0|0,0,2]=4 188 B12R0.248 CCCCCCCC=CC(=O)OC CNP0075998.0 [0,2,0,0,0,0|0,0,2]=4 189 B12R0.4 CCCCC/C=C\[C@H](C)CC(=O)O CNP0187817.1 [0,2,0,0,0,0|0,0,2]=4 190 B12R0.4 CCCCCC=CC(=CC(=O)O)C CNP0489537.0 [0,2,0,0,0,0|0,0,0]=2 191 B12R0.4 CCCCCCC=C(C)CC(=O)O CNP0186143.0 [0,2,0,0,0,0|0,0,2]=4 192 B12R0.239 C/C=C/C=C/C(=O)C[C@@H](O)CCO CNP0265618.1 [0,2,0,0,0,0|2,0,0]=4 193 B12R0.184 CC[C@H](O)CCC/C=C/OC(=O)C CNP0101505.1 [0,2,0,0,0,0|1,0,1]=4 194 B12R0.95 CCCC[C@@H](O)/C=C/C=C/C(=O)O CNP0078690.2 [0,2,0,0,0,0|0,0,0]=2 195 B12R0.95 CCCC[C@H](O)/C=C/C=C/C(=O)O CNP0078690.1 [0,2,0,0,0,0|0,0,0]=2 196 B12R0.268 CC(=O)C=CC=CCCCC(=O)O CNP0403603.0 [0,2,0,0,0,0|1,0,1]=4 197 B12R0.268 C[C@@H](O)CCC/C=C/C=C/C(=O)O CNP0351979.1 [0,2,0,0,0,0|0,0,0]=2 198 B12R0.268 C[C@@H](O)CCC/C=C/C=C\C(=O)O CNP0351979.2 [0,2,0,0,0,0|0,0,0]=2 199 B12R0.268 C[C@H](O)CCCCC/C=C/C(=O)O CNP0140668.1 [0,2,0,0,0,0|0,0,2]=4 200 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [1,0,0,1,0,0|1,0,1]=4 201 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [1,0,0,1,0,0|1,0,1]=4 202 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [1,0,0,1,0,0|0,0,2]=4 203 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [1,0,0,1,0,0|0,0,1]=3 204 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [1,0,0,1,0,0|1,0,0]=3 205 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [1,0,0,1,0,0|1,0,1]=4 206 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [1,0,0,1,0,0|1,0,1]=4 207 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [1,0,0,1,0,0|1,0,1]=4 208 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [1,0,0,1,0,0|1,0,1]=4 209 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [1,0,0,1,0,0|1,0,1]=4 210 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [1,0,0,1,0,0|2,0,0]=4 211 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [1,0,0,1,0,0|1,0,1]=4 212 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [1,0,0,1,0,0|1,0,1]=4 213 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [1,0,0,1,0,0|1,0,1]=4 214 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [1,0,0,1,0,0|1,0,1]=4 215 B10R1.20 CCC1=CC=CC=C1C=O CNP0565429.0 [1,0,0,1,0,0|0,0,2]=4 216 B10R1.21 CCCC=CC1=CC=CO1 CNP0062587.0 [1,0,0,1,0,0|0,0,2]=4 217 B10R1.21 CCCCCC1=CC=CO1 CNP0210535.0 [1,0,0,1,0,0|0,0,1]=3 218 B10R1.21 CCCCCC1=CC=CS1 CNP0094840.0 [1,0,0,1,0,0|0,1,0]=3 219 B10R1.21 CCCCCC1=CN=CO1 CNP0197497.0 [1,0,0,1,0,0|1,0,1]=4 220 B10R1.21 CCCCCC1=NC=CO1 CNP0420572.0 [1,0,0,1,0,0|1,0,1]=4 221 B10R1.21 CCCCCC1=NC=CS1 CNP0002560.0 [1,0,0,1,0,0|1,1,0]=4 222 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [1,0,0,1,0,0|0,0,2]=4 223 B12R1.8 CCCCCCC1=CC=CC=C1 CNP0276048.0 [0,1,0,1,0,0|1,0,0]=3 224 B12R1.8 CCCCCCC1=CC=CN=C1 CNP0002604.0 [0,1,0,1,0,0|1,0,1]=4 225 B12R1.8 CCCCOCC1=CC=CC=C1 CNP0003510.0 [0,1,0,1,0,0|1,0,0]=3 226 B12R1.8 NCCCNCC1=CC=CC=C1 CNP0465061.0 [0,1,0,1,0,0|2,0,0]=4 227 B12R1.8 OCCCCCC1=CC=CC=C1 CNP0367476.0 [0,1,0,1,0,0|1,0,0]=3 228 B12R1.37 CCCCCCCC1=CC=CN1 CNP0033331.0 [0,1,0,1,0,0|1,0,1]=4 229 B12R1.37 CCCCCCCC1=CC=CO1 CNP0285753.0 [0,1,0,1,0,0|0,0,2]=4 230 B12R1.45 CCCCCN1C=CC=C1C=O CNP0230031.0 [0,1,0,1,0,0|0,0,0]=2 231 B12R1.215 O=C1C=CCCCCCCCO1 CNP0588642.0 [0,1,0,1,0,0|0,0,2]=4 232 B12R1.267 CC1=C(CCCC1)CC=CC=O CNP0578416.0 [0,1,0,1,0,0|0,0,1]=3 233 B12R1.267 CCCCOC1=CC=CC=C1N CNP0241644.0 [0,1,0,1,0,0|1,0,1]=4 234 B12R1.1410 CCCCC[C@H]1O[C@@H]1/C=C/C=O CNP0381655.1 [0,1,0,1,0,0|0,0,2]=4 235 B12R1.28 CCC=CCC1=CC=CC(=O)O1 CNP0355411.0 [0,1,0,1,0,0|0,0,2]=4 236 B12R1.28 CCCC=CC1=CC=CC(=O)O1 CNP0322313.0 [0,1,0,1,0,0|0,0,2]=4 237 B12R1.28 CCCCCC1=CC=CC(=O)O1 CNP0184251.0 [0,1,0,1,0,0|0,0,0]=2 238 B12R1.28 CCCCC[C@@H]1CC=CC(=O)C1 CNP0390327.2 [0,1,0,1,0,0|0,0,2]=4 239 B12R1.28 CCCCC[C@@H]1CC=CC(=O)O1 CNP0231431.1 [0,1,0,1,0,0|0,0,2]=4 240 B12R1.28 CCCCC[C@H]1CC=CC(=O)C1 CNP0390327.1 [0,1,0,1,0,0|0,0,2]=4 241 B12R1.32 CCCC(=O)CC1=CC=CC=C1 CNP0538882.0 [0,1,0,1,0,0|1,0,1]=4 242 B12R1.32 CCCC(O)CC1=CC=CC=C1 CNP0005510.0 [0,1,0,1,0,0|1,0,0]=3 243 B12R1.141 C[C@@H]1CCC/C=C\CCC(=O)O1 CNP0199494.1 [0,1,0,1,0,0|0,0,2]=4 244 B12R1.141 C[C@H]1CCC/C=C/C=C\C(=O)O1 CNP0395842.1 [0,1,0,1,0,0|0,0,0]=2 245 B12R1.141 C[C@H]1CCC/C=C\CCC(=O)O1 CNP0199494.2 [0,1,0,1,0,0|0,0,2]=4 246 B12R1.348 CCCC[C@H]1C=CC(=O)C=CC1 CNP0431580.1 [0,1,0,1,0,0|1,0,0]=3 247 B12R1.1 CCCCCC1=CC=C(C=C1)O CNP0317854.0 [0,1,0,1,0,0|1,0,0]=3 248 B12R1.1 CCCCCC1=COC(=O)C=C1 CNP0537996.0 [0,1,0,1,0,0|2,0,0]=4 249 B12R1.1 CCCCCN1C=CC(=N)C=C1 CNP0444738.0 [0,1,0,1,0,0|2,0,0]=4 250 B12R1.1 CCCCCN1C=CC(=[N])C=C1 CNP0587495.0 [0,1,0,1,0,0|2,0,0]=4 251 B12R1.1 CCCCOC1=CC=C(C=C1)Br CNP0109333.0 [0,1,0,1,0,0|2,0,0]=4 252 B12R1.1 CCCCOC1=CC=C(C=C1)N CNP0043525.0 [0,1,0,1,0,0|2,0,0]=4 253 B12R1.1 CCCCOC1=CC=C(C=C1)O CNP0129863.0 [0,1,0,1,0,0|2,0,0]=4 254 B12R1.1 CCCCSC1=CC=C(C=C1)C CNP0334221.0 [0,1,0,1,0,0|2,0,0]=4 255 B12R1.1 CNCCCC1=CC=C(C=C1)O CNP0135430.0 [0,1,0,1,0,0|2,0,0]=4 256 B12R1.1 COCCCC1=CC=C(C=C1)O CNP0164469.0 [0,1,0,1,0,0|2,0,0]=4 257 B12R1.7 CCCC#CC=C1C=CC(=O)O1 CNP0290336.0 [0,1,0,1,0,0|0,0,2]=4 258 B12R1.7 CCCC=CC=C1C=CC(=O)O1 CNP0415962.0 [0,1,0,1,0,0|0,0,2]=4 259 B12R1.7 CCCCCCC1=CCC(=O)O1 CNP0519706.0 [0,1,0,1,0,0|0,0,2]=4 260 B12R1.25 CCCCC1=CC=CC(=C1O)C CNP0087721.0 [0,1,0,1,0,0|0,0,2]=4 261 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,1,0,1,0,0|1,0,1]=4 262 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [0,1,0,1,0,0|1,0,0]=3 263 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [0,1,0,1,0,0|1,0,0]=3 264 B12R1.82 CC[C@H](C)CN1C=CC=C1C=O CNP0327193.1 [0,1,0,1,0,0|1,0,0]=3 265 B12R1.455 C=CCCCC1=CC=C(O1)C=O CNP0187025.0 [0,1,0,1,0,0|0,0,2]=4 266 B12R1.455 CCCCCC1=CC=C(O1)C=O CNP0197928.0 [0,1,0,1,0,0|0,0,0]=2 267 B12R1.477 CCC(C)CN=CC1=CC=CO1 CNP0429593.0 [0,1,0,1,0,0|1,0,1]=4 268 B12R1.30 CCCCC(=O)C1=CC=CC=C1 CNP0346038.0 [0,1,0,1,0,0|1,0,1]=4 269 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 CNP0251473.1 [0,1,0,1,0,0|1,0,0]=3 270 B12R1.374 CCCCC1=CC(=CC=C1C)O CNP0421010.0 [0,1,0,1,0,0|1,0,1]=4 271 B12R1.374 CCCCN1C=C(C=CC1=O)Br CNP0046432.0 [0,1,0,1,0,0|1,0,0]=3 272 B12R1.374 CCCCN1C=C(C=CC1=O)Cl CNP0037716.0 [0,1,0,1,0,0|1,0,0]=3 273 B12R1.567 CCCCCC1=C(CCC1=O)C CNP0354329.0 [0,1,0,1,0,0|0,0,2]=4 274 B12R1.35 CCCCCC(=O)C1=CC=CO1 CNP0086014.0 [0,1,0,1,0,0|0,0,1]=3 275 B12R1.35 CCSCCC(=O)C1=CC=CS1 CNP0369340.0 [0,1,0,1,0,0|1,1,0]=4 276 B12R1.81 CC(C)CCN1C=CC=C1C=O CNP0239517.0 [0,1,0,1,0,0|1,0,0]=3 277 B12R1.125 CC(C)CCC1=CC=CC=C1O CNP0504507.0 [0,1,0,1,0,0|0,0,2]=4 278 B12R1.255 CC(C)CCN=CC1=CC=CO1 CNP0434350.0 [0,1,0,1,0,0|1,0,1]=4 279 B12R2.2 C1=COC(=C1)C2=NCCCC2 CNP0002566.0 [0,0,0,2,0,0|1,0,1]=4 280 B12R2.2 C1=CSC(=C1)N2CCCCC2 CNP0521199.0 [0,0,0,2,0,0|1,1,0]=4 281 B12R2.229 C[C@H]1CCC=CC2=CCC[C@H]12 CNP0428500.1 [0,0,0,2,0,0|1,0,1]=4 282 B12R2.315 O=CC1=CC=CC2=C1CCC2 CNP0274252.0 [0,0,0,2,0,0|0,0,2]=4 283 B12R2.41 C1=CC=C2SCCCCC2=C1 CNP0497800.0 [0,0,0,2,0,0|0,1,1]=4 284 B12R2.24 O=C1C=C2CCCCC2CC1 CNP0611969.0 [0,0,0,2,0,0|0,0,2]=4 285 B12R2.196 C[C@H]1CCC2=C(C=CC=C12)O CNP0354068.1 [0,0,0,2,0,0|0,0,2]=4 286 B12R2.1081 CC1=CC=CC2=C1CCCC2 CNP0246317.0 [0,0,0,2,0,0|1,0,1]=4 287 B12R2.1081 O=C1CCCC2=CC=CC=C12 CNP0265726.0 [0,0,0,2,0,0|0,0,2]=4 288 B12R2.44 O=CC1=CC=C2CCCC2=C1 CNP0186232.0 [0,0,0,2,0,0|0,0,2]=4 289 B12R2.18 C[C@@H]1CC2=CC=CC=C2C1=O CNP0054143.2 [0,0,0,2,0,0|0,0,2]=4 290 B12R2.18 C[C@H]1CC2=CC=CC=C2C1=O CNP0054143.1 [0,0,0,2,0,0|0,0,2]=4