0 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [0,0,0,0,0,0|0,0,4]=4 1 B9R0.5 C=COC(=O)C=CC=CC CNP0588574.0 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.5 CC=CC(=O)C=CCCC CNP0250774.0 [0,0,0,0,0,0|1,0,3]=4 3 B9R0.5 CC=CC=CC(=O)OCC CNP0002481.0 [0,0,0,0,0,0|0,0,0]=0 4 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [0,0,0,0,0,0|0,0,2]=2 6 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,0,0,0,0,0|0,0,2]=2 7 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,0,0,0,0,0|0,0,4]=4 8 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [0,0,0,0,0,0|1,0,3]=4 9 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [1,0,0,0,0,0|0,0,2]=3 10 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [1,0,0,0,0,0|0,0,3]=4 12 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [1,0,0,0,0,0|1,0,2]=4 14 B8R0.4 CC=CC=CCCCO CNP0492923.0 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.4 CCC=CC=CCCO CNP0339953.0 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.4 CCCC=CC=CCO CNP0175481.0 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.6 CC(=CC=CC=O)CO CNP0246608.0 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [1,0,0,0,0,0|0,0,0]=1 20 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [1,0,0,0,0,0|0,0,2]=3 21 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [1,0,0,0,0,0|0,0,2]=3 22 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [1,0,0,0,0,0|0,0,2]=3 23 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [1,0,0,0,0,0|1,0,1]=3 24 B10R0.1 CCC=CCCC(=O)OCC CNP0128665.0 [0,1,0,0,0,0|0,0,2]=3 25 B10R0.1 CCCC=COC(=O)CCC CNP0575733.0 [0,1,0,0,0,0|1,0,2]=4 26 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [0,1,0,0,0,0|0,0,2]=3 27 B10R0.2 CC=CC(=O)OC(=O)C=CC CNP0155558.0 [0,1,0,0,0,0|2,0,1]=4 28 B10R0.2 CCCC(=O)CC(=O)OCC CNP0003512.0 [0,1,0,0,0,0|0,0,3]=4 29 B10R0.2 CCOC(=O)CC(=O)OCC CNP0079918.0 [0,1,0,0,0,0|1,0,2]=4 30 B10R0.2 CCOC(=O)OC(=O)OCC CNP0003163.0 [0,1,0,0,0,0|2,0,1]=4 31 B10R0.3 CC(=CC=CC(=CCO)C)C CNP0278603.0 [0,1,0,0,0,0|3,0,0]=4 32 B10R0.3 CCOC(=O)/C=C/C[C@H](C)O CNP0226246.1 [0,1,0,0,0,0|0,0,2]=3 33 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [0,1,0,0,0,0|0,0,3]=4 34 B10R0.91 C=CCOC(=O)C=CC=CC CNP0002918.0 [0,1,0,0,0,0|0,0,1]=2 35 B10R0.91 C=CCOC(=O)C=CCCC CNP0004248.0 [0,1,0,0,0,0|0,0,3]=4 36 B10R0.91 CC=CC#CC(=O)CCCO CNP0540808.0 [0,1,0,0,0,0|1,0,2]=4 37 B10R0.108 CCOC(=O)CCC(=O)C=O CNP0237833.0 [0,1,0,0,0,0|1,0,2]=4 38 B10R1.10 CC=CC1=CC(=O)OCC1 CNP0430897.0 [0,0,0,1,0,0|0,0,0]=1 39 B10R1.10 CCC=C1CCOC(=O)C1 CNP0206629.0 [0,0,0,1,0,0|0,0,2]=3 40 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [0,0,0,1,0,0|2,0,0]=3 41 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [0,0,0,1,0,0|3,0,0]=4 42 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [0,0,0,1,0,0|2,0,1]=4 43 B10R1.10 CCNC1=CC(=O)CCC1 CNP0039050.0 [0,0,0,1,0,0|2,0,1]=4 44 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [0,0,0,1,0,0|2,0,0]=3 45 B10R1.10 CCOC1=CC(=O)CCC1 CNP0056254.0 [0,0,0,1,0,0|2,0,1]=4 46 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [0,0,0,1,0,0|2,0,0]=3 47 B10R1.10 CCOC1=CN=CC(=N1)C CNP0002519.0 [0,0,0,1,0,0|2,0,0]=3 48 B10R1.11 CCCC(=O)C1=CC=CO1 CNP0102871.0 [0,0,0,1,0,0|2,0,0]=3 49 B10R1.11 CCCC(=O)C1=CC=CS1 CNP0318042.0 [0,0,0,1,0,0|2,0,0]=3 50 B10R1.11 CCOC(=O)C1=CC=CN1 CNP0153288.0 [0,0,0,1,0,0|1,0,0]=2 51 B10R1.11 CCOC(=O)C1=CC=CO1 CNP0247126.0 [0,0,0,1,0,0|1,0,0]=2 52 B10R1.11 CCOC(=O)C1=COC=C1 CNP0228529.0 [0,0,0,1,0,0|1,0,1]=3 53 B10R1.11 CCOC(=O)C1=CSN=N1 CNP0040312.0 [0,0,0,1,0,0|3,0,0]=4 54 B10R1.11 CCOC(=O)C1=NNC=C1 CNP0017794.0 [0,0,0,1,0,0|2,0,0]=3 55 B10R1.11 CCOC(=O)N1C=CN=C1 CNP0182750.0 [0,0,0,1,0,0|2,0,1]=4 56 B10R1.19 CNC1=CC=CC=CC1=O CNP0365343.0 [0,0,0,1,0,0|2,0,1]=4 57 B10R1.19 COC1=CC=CC=CC1=O CNP0338475.0 [0,0,0,1,0,0|2,0,1]=4 58 B10R1.77 CC1=CC=CC=CC(=O)O1 CNP0427584.0 [0,0,0,1,0,0|0,0,2]=3 59 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,0,0,1,0,0|1,0,2]=4 60 B10R1.130 C/C=C/C1=CC(=O)C[C@@H]1O CNP0356439.1 [0,0,0,1,0,0|2,0,0]=3 61 B10R1.245 CC1=CC=CC(=C1CO)O CNP0321165.0 [0,0,0,1,0,0|2,0,1]=4 62 B10R1.245 CCC1=C(C=CC=C1C)C CNP0182931.0 [0,0,0,1,0,0|2,0,0]=3 63 B10R1.245 CCN1C(=CC=NC1=O)N CNP0527262.0 [0,0,0,1,0,0|3,0,0]=4 64 B10R1.245 CNC1=C(C=CC=C1C)C CNP0282095.0 [0,0,0,1,0,0|3,0,0]=4 65 B10R1.245 COC1=C(C=CC=C1C)C CNP0308029.0 [0,0,0,1,0,0|3,0,0]=4 66 B10R1.245 COC1=C(NC=CC1=O)C CNP0226695.0 [0,0,0,1,0,0|3,0,0]=4 67 B10R1.245 COC1=C(OC=CC1=O)C CNP0167853.0 [0,0,0,1,0,0|3,0,0]=4 68 B7R0.1 C=CC=CC=CCC CNP0261432.0 [2,0,0,0,0,0|0,0,1]=3 69 B7R0.1 C=CC=CCCCC CNP0084214.0 [2,0,0,0,0,0|1,0,1]=4 70 B7R0.1 CC=CC=CC=CC CNP0185443.0 [2,0,0,0,0,0|0,0,1]=3 71 B7R0.1 CC=CC=CCCC CNP0275494.0 [2,0,0,0,0,0|0,0,1]=3 72 B7R0.1 CC=CCC=CCO CNP0168622.0 [2,0,0,0,0,0|1,0,1]=4 73 B7R0.1 CCC=CC=CC=O CNP0276667.0 [2,0,0,0,0,0|1,0,0]=3 74 B7R0.1 CCC=CC=CCC CNP0546897.0 [2,0,0,0,0,0|0,0,1]=3 75 B7R0.1 CCC=CC=CCO CNP0332799.0 [2,0,0,0,0,0|1,0,1]=4 76 B7R0.1 CCCC=CC=CO CNP0524724.0 [2,0,0,0,0,0|1,0,1]=4 77 B7R0.1 O=CC=CC=CCO CNP0296757.0 [2,0,0,0,0,0|2,0,0]=4 78 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [2,0,0,0,0,0|0,0,2]=4 79 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [2,0,0,0,0,0|1,0,1]=4 80 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [2,0,0,0,0,0|1,0,0]=3 81 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [2,0,0,0,0,0|0,0,1]=3 82 B7R0.3 CNC(=O)C=CSC CNP0255894.0 [2,0,0,0,0,0|2,0,0]=4 83 B7R0.3 COC(=O)C=CC#N CNP0257494.0 [2,0,0,0,0,0|1,0,1]=4 84 B7R0.3 COC=CC(=O)OC CNP0398712.0 [2,0,0,0,0,0|1,0,0]=3 85 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [2,0,0,0,0,0|0,0,1]=3 86 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [2,0,0,0,0,0|1,0,1]=4 87 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [2,0,0,0,0,0|1,0,0]=3 88 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [2,0,0,0,0,0|0,0,0]=2 89 B7R0.7 CCCC(=O)OCC CNP0232050.0 [2,0,0,0,0,0|0,0,2]=4 90 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [2,0,0,0,0,0|1,0,0]=3 91 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [2,0,0,0,0,0|1,0,0]=3 92 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [2,0,0,0,0,0|1,0,0]=3 93 B7R0.7 CCOC(=O)CNC CNP0575591.0 [2,0,0,0,0,0|1,0,1]=4 94 B7R0.7 CCOC(=O)CSC CNP0330528.0 [2,0,0,0,0,0|1,0,1]=4 95 B7R0.7 CCOC(=O)OCC CNP0167765.0 [2,0,0,0,0,0|1,0,1]=4 96 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [2,0,0,0,0,0|1,0,0]=3 97 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [2,0,0,0,0,0|0,0,0]=2 98 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [2,0,0,0,0,0|0,0,0]=2 99 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [2,0,0,0,0,0|0,0,2]=4 100 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [2,0,0,0,0,0|0,0,2]=4 101 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [2,0,0,0,0,0|0,0,2]=4 102 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [2,0,0,0,0,0|0,0,2]=4 103 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [2,0,0,0,0,0|0,0,2]=4 104 B9R0.18 C=CCOC(=O)OCCO CNP0325066.0 [1,1,0,0,0,0|1,0,1]=4 105 B9R0.18 CCCCC(=O)C=CC=O CNP0505457.0 [1,1,0,0,0,0|2,0,0]=4 106 B9R0.18 CSC=CC(=O)NCCO CNP0211261.0 [1,1,0,0,0,0|2,0,0]=4 107 B9R0.35 C/C=C/[C@H](C)C(=O)OCC CNP0248214.1 [1,1,0,0,0,0|0,0,1]=3 108 B9R0.35 C=C=CC(C)C(=O)OCC CNP0002840.0 [1,1,0,0,0,0|0,0,2]=4 109 B9R0.35 C=CCC(C)C(=O)OCC CNP0139800.0 [1,1,0,0,0,0|0,0,2]=4 110 B9R0.35 CCC=C(C)C(=O)OCC CNP0154719.0 [1,1,0,0,0,0|0,0,1]=3 111 B9R0.35 CCOC(=O)C(=O)OCC CNP0247070.0 [1,1,0,0,0,0|1,0,1]=4 112 B9R0.48 CCOC(=O)C=CC(=O)O CNP0272269.0 [1,1,0,0,0,0|1,0,0]=3 113 B9R0.48 CCOC(=O)C=CC(C)C CNP0167612.0 [1,1,0,0,0,0|0,0,1]=3 114 B9R0.48 CCOC(=O)C=CN(C)C CNP0336666.0 [1,1,0,0,0,0|1,0,0]=3 115 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [1,1,0,0,0,0|0,0,2]=4 116 B9R0.2 CCCC=CC=CC(=O)N CNP0194584.0 [1,1,0,0,0,0|2,0,0]=4 117 B9R0.2 CCCC=CC=CC(=O)O CNP0529774.0 [1,1,0,0,0,0|2,0,0]=4 118 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [1,1,0,0,0,0|1,0,1]=4 119 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [1,1,0,0,0,0|1,0,1]=4 120 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [1,1,0,0,0,0|2,0,0]=4 121 B9R0.45 CCCCC=CC=CCO CNP0116173.0 [1,1,0,0,0,0|1,0,1]=4 122 B9R0.1 CC(=O)C=CC=C(C)CO CNP0040353.0 [1,1,0,0,0,0|2,0,0]=4 123 B9R0.1 CC=C(C)C=CC=C(C)C CNP0248120.0 [1,1,0,0,0,0|1,0,1]=4 124 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [1,1,0,0,0,0|0,0,2]=4 125 B9R0.1 CC[C@@H](C)/C=C/C=C(C)C CNP0154756.1 [1,1,0,0,0,0|1,0,1]=4 126 B9R0.1 CC[C@@H](C)/C=C\C=C(C)C CNP0154756.2 [1,1,0,0,0,0|1,0,1]=4 127 B9R0.24 CC[C@@H](C)/C=C/C(=O)OC CNP0273478.2 [1,1,0,0,0,0|0,0,2]=4 128 B9R0.24 CC[C@@H](C)C=CC(=O)OC CNP0273478.1 [1,1,0,0,0,0|0,0,2]=4 129 B9R0.24 COC(=O)C=CC(=O)OC CNP0328522.0 [1,1,0,0,0,0|1,0,0]=3 130 B11R0.4 C=CCC=CCCC(=O)OCC CNP0209435.0 [0,2,0,0,0,0|0,0,2]=4 131 B11R0.4 CC=CC=CC=CC(=O)OCC CNP0412321.0 [0,2,0,0,0,0|0,0,0]=2 132 B11R0.4 CC=CC=CCOC(=O)CCC CNP0328344.0 [0,2,0,0,0,0|1,0,0]=3 133 B11R0.4 CCCC=CCCC(=O)OCC CNP0257239.0 [0,2,0,0,0,0|0,0,2]=4 134 B11R0.4 CCCCC=CCC(=O)OCC CNP0229476.0 [0,2,0,0,0,0|0,0,2]=4 135 B11R0.4 CCCCCC=CC(=O)OCC CNP0259768.0 [0,2,0,0,0,0|0,0,2]=4 136 B11R0.5 CCCCC(=CC(=O)OCC)Br CNP0310959.0 [0,2,0,0,0,0|0,0,2]=4 137 B11R0.62 CCOC(=O)C=CC(=O)OCC CNP0127859.0 [0,2,0,0,0,0|0,0,1]=3 138 B11R0.1 CCOC(=O)C=C(C)NC(=O)C CNP0059456.0 [0,2,0,0,0,0|1,0,0]=3 139 B11R0.59 CCOC(=O)C(=COC(=O)C)C CNP0055976.0 [0,2,0,0,0,0|1,0,0]=3 140 B11R0.59 CCOC(=O)C(=NNC(=O)C)C CNP0268978.0 [0,2,0,0,0,0|2,0,0]=4 141 B11R0.154 CC=CC=CC(=O)CC(O)CO CNP0289529.0 [0,2,0,0,0,0|1,0,0]=3 142 B11R0.43 CCOC(=O)C(=O)CC(=O)CC CNP0113615.0 [0,2,0,0,0,0|0,0,2]=4 143 B11R0.140 CCCC=CC(=O)OCCCC CNP0076599.0 [0,2,0,0,0,0|0,0,2]=4 144 B9R1.2 CNC1=CC(=O)CCC1 CNP0160818.0 [1,0,0,1,0,0|2,0,0]=4 145 B9R1.2 COC1=CC(=O)OCC1 CNP0195461.0 [1,0,0,1,0,0|1,0,0]=3 146 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,0,0,1,0,0|2,0,0]=4 147 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [1,0,0,1,0,0|2,0,0]=4 148 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,0,0,1,0,0|2,0,0]=4 149 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,0,0,1,0,0|1,0,0]=3 150 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [1,0,0,1,0,0|2,0,0]=4 151 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [1,0,0,1,0,0|2,0,0]=4 152 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,0,0,1,0,0|2,0,0]=4 153 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [1,0,0,1,0,0|2,0,0]=4 154 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [1,0,0,1,0,0|1,0,1]=4 155 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [1,0,0,1,0,0|1,1,0]=4 156 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [1,0,0,1,0,0|2,0,0]=4 157 B9R1.22 COC1=CC(=O)O[C@H]1O CNP0399896.1 [1,0,0,1,0,0|2,0,0]=4 158 B9R1.27 CCN1C(=O)C=CC1=O CNP0447617.0 [1,0,0,1,0,0|2,0,0]=4 159 B9R1.48 CC1=CC=CC=C(O1)C CNP0612010.0 [1,0,0,1,0,0|1,0,1]=4 160 B9R1.50 C=C1C=CC=CCCC1 CNP0503411.0 [1,0,0,1,0,0|2,0,0]=4 161 B9R1.69 CC1C=CC(=O)CC1C CNP0611987.0 [1,0,0,1,0,0|1,0,1]=4 162 B9R1.69 C[C@@H]1CC(=O)C=CC1=O CNP0273693.1 [1,0,0,1,0,0|2,0,0]=4 163 B9R1.69 C[C@@H]1OC(=O)C=C[C@H]1O CNP0277618.1 [1,0,0,1,0,0|1,0,1]=4 164 B9R1.69 C[C@H]1OC(=O)C=C[C@@H]1O CNP0277618.2 [1,0,0,1,0,0|1,0,1]=4 165 B9R1.69 C[C@H]1OC(=O)C=C[C@H]1O CNP0277618.3 [1,0,0,1,0,0|1,0,1]=4 166 B9R1.14 CCN1C=CC=C1C=O CNP0138436.0 [1,0,0,1,0,0|2,0,0]=4 167 B9R1.1 O=CC1=CC=C(OC1)O CNP0334419.0 [1,0,0,1,0,0|1,0,1]=4 168 B9R1.3 C=C1C=CC=C([C@@H]1N)C CNP0587426.1 [1,0,0,1,0,0|2,0,0]=4 169 B9R1.3 CC1=CC=CC(=C1C)C CNP0219925.0 [1,0,0,1,0,0|1,0,1]=4 170 B9R1.3 CC1=CC=CC(=C1C)N CNP0330285.0 [1,0,0,1,0,0|1,0,1]=4 171 B9R1.3 CC1=CC=CC(=C1C)O CNP0282533.0 [1,0,0,1,0,0|0,0,2]=4 172 B9R1.3 CC1=CC=CC(=O)C1=O CNP0588286.0 [1,0,0,1,0,0|1,0,1]=4 173 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [1,0,0,1,0,0|1,0,0]=3 174 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [1,0,0,1,0,0|1,0,0]=3 175 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [1,0,0,1,0,0|1,0,0]=3 176 B9R1.11 CCC(=O)C1=NC=CS1 CNP0135536.0 [1,0,0,1,0,0|2,0,0]=4 177 B9R1.11 COC(=O)C1=CC=CN1 CNP0239045.0 [1,0,0,1,0,0|1,0,0]=3 178 B9R1.11 COC(=O)C1=CC=CO1 CNP0272116.0 [1,0,0,1,0,0|1,0,0]=3 179 B9R1.11 COC(=O)C1=COC=C1 CNP0209204.0 [1,0,0,1,0,0|1,0,1]=4 180 B9R1.11 COC(=O)C1=NNC=C1 CNP0060175.0 [1,0,0,1,0,0|2,0,0]=4 181 B9R1.11 COC(=O)N1C=CCC1 CNP0029534.0 [1,0,0,1,0,0|1,0,1]=4 182 B9R1.11 COC(=O)[C@@H]1C=CCC1 CNP0166268.1 [1,0,0,1,0,0|0,0,2]=4 183 B9R1.11 CSC(=O)C1=CC=CO1 CNP0002776.0 [1,0,0,1,0,0|1,1,0]=4 184 B9R1.11 O=C(CO)C1=CC=CO1 CNP0312445.0 [1,0,0,1,0,0|2,0,0]=4 185 B9R1.21 CCC1=CC=C(O1)C=O CNP0610543.0 [1,0,0,1,0,0|1,0,1]=4 186 B9R1.21 COC1=CC=C(O1)C=O CNP0184831.0 [1,0,0,1,0,0|1,0,1]=4 187 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [0,1,0,1,0,0|1,0,1]=4 188 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [0,1,0,1,0,0|0,0,1]=3 189 B11R1.16 CCOC(=O)C1=CC=CC=N1 CNP0298485.0 [0,1,0,1,0,0|0,0,1]=3 190 B11R1.16 CCOC(=O)C1=CC=CN=C1 CNP0104896.0 [0,1,0,1,0,0|0,0,1]=3 191 B11R1.24 CC1=CC=CC(=C1)OCCBr CNP0342337.0 [0,1,0,1,0,0|1,0,0]=3 192 B11R1.30 CCOC(=O)CC1=CNC=N1 CNP0326437.0 [0,1,0,1,0,0|1,0,1]=4 193 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [0,1,0,1,0,0|0,0,2]=4 194 B11R1.199 CCOC(=O)C1=C(SN=N1)C CNP0358713.0 [0,1,0,1,0,0|2,0,0]=4 195 B11R1.464 CCC1=C(C=C(C=C1C)C)C CNP0246344.0 [0,1,0,1,0,0|2,0,0]=4 196 B11R1.464 CCC1=C(C=C(C=C1C)O)C CNP0365832.0 [0,1,0,1,0,0|2,0,0]=4 197 B11R1.464 CCC1=C(C=C(C=C1Cl)C)C CNP0233565.0 [0,1,0,1,0,0|2,0,0]=4 198 B11R1.464 CCN1C(=NC(=CC1=O)C)C CNP0482502.0 [0,1,0,1,0,0|2,0,0]=4 199 B11R1.1251 C/C=C/[C@@]1(CCOC(=O)C1)O CNP0458974.2 [0,1,0,1,0,0|0,0,2]=4 200 B11R1.1251 C/C=C/[C@]1(CCOC(=O)C1)O CNP0458974.1 [0,1,0,1,0,0|0,0,2]=4 201 B11R1.15 CCOC(=O)C1=CC(=CN1)C CNP0301824.0 [0,1,0,1,0,0|1,0,0]=3 202 B11R1.15 CCOC(=O)C1=CNC(=O)N1 CNP0282738.0 [0,1,0,1,0,0|2,0,0]=4 203 B11R1.15 CCOC(=O)C1=CSC(=N1)C CNP0046767.0 [0,1,0,1,0,0|1,0,0]=3 204 B11R1.15 CCOC(=O)C1=NC(=O)N=C1 CNP0041998.0 [0,1,0,1,0,0|2,0,0]=4 205 B11R1.15 CCOC(=O)C1=NOC(=C1)C CNP0240524.0 [0,1,0,1,0,0|2,0,0]=4 206 B11R1.157 CC(=O)NC1=CC(=O)CCC1 CNP0181658.0 [0,1,0,1,0,0|2,0,0]=4 207 B11R1.157 CC(=O)OC1=CC(=O)CCC1 CNP0126229.0 [0,1,0,1,0,0|2,0,0]=4 208 B11R1.157 CC(=O)OC1=CC=CC(=C1)C CNP0423566.0 [0,1,0,1,0,0|1,0,1]=4 209 B11R1.166 CC(=O)C1=CC=C(OC1O)C CNP0457804.0 [0,1,0,1,0,0|2,0,0]=4 210 B11R1.166 CC(=O)C1=CNC(=O)C[C@@H]1C CNP0280551.1 [0,1,0,1,0,0|2,0,0]=4 211 B11R1.166 CC(=O)C1=CNC(=O)C[C@H]1C CNP0280551.2 [0,1,0,1,0,0|2,0,0]=4 212 B11R1.27 C/C=C/C=C/C1=NC[C@H](C1)C CNP0119018.1 [0,1,0,1,0,0|2,0,0]=4 213 B11R1.13 CCCC1=CC=CC(=C1C)C CNP0310285.0 [0,1,0,1,0,0|2,0,0]=4 214 B11R1.13 CCOC1=CC=CC(=C1C)C CNP0186598.0 [0,1,0,1,0,0|1,0,0]=3 215 B11R1.13 CCOC1=CC=CC(=C1C)O CNP0350443.0 [0,1,0,1,0,0|2,0,0]=4 216 B11R1.29 C=CCOC(=O)C1=CC=CO1 CNP0002876.0 [0,1,0,1,0,0|1,0,1]=4 217 B11R1.29 CCCCC(=O)C1=CC=CO1 CNP0002605.0 [0,1,0,1,0,0|2,0,0]=4 218 B11R1.29 CCCOC(=O)C1=CC=CO1 CNP0083141.0 [0,1,0,1,0,0|1,0,0]=3 219 B11R1.29 COCNC(=O)C1=CC=CN1 CNP0458701.0 [0,1,0,1,0,0|2,0,0]=4 220 B11R1.72 CCC1=C(C(=O)C=CC1=O)C CNP0115905.0 [0,1,0,1,0,0|1,0,0]=3 221 B11R1.72 CCC1=C(C=CC(=C1C)O)O CNP0216521.0 [0,1,0,1,0,0|1,0,1]=4 222 B11R1.72 COC1=C(C(=O)C=CC1=O)C CNP0331227.0 [0,1,0,1,0,0|2,0,0]=4 223 B11R1.182 CCCC1=CC(=CC=C1C)C CNP0284162.0 [0,1,0,1,0,0|2,0,0]=4 224 B11R1.182 CCOC1=CC(=CC=C1C)C CNP0288250.0 [0,1,0,1,0,0|1,0,0]=3 225 B11R1.182 CCOC1=CC(=O)C=CC1=O CNP0125200.0 [0,1,0,1,0,0|2,0,0]=4 226 B11R1.598 C/C=C/C1=C(C(=O)C[C@@H]1O)Br CNP0525642.1 [0,1,0,1,0,0|2,0,0]=4 227 B11R1.598 C/C=C/C1=C(C(=O)C[C@@H]1O)Cl CNP0356442.1 [0,1,0,1,0,0|2,0,0]=4 228 B11R1.28 CC=CC=CC1=NCCCC1 CNP0411181.0 [0,1,0,1,0,0|2,0,0]=4 229 B11R1.83 CCOC1=CC=C(C=C1)C=O CNP0125855.0 [0,1,0,1,0,0|2,0,0]=4 230 B11R1.23 COC(=O)C1=CC(=O)OCC1 CNP0435092.0 [0,1,0,1,0,0|1,0,0]=3 231 B11R1.31 CCC(=O)C(=O)C1=CC=CN1 CNP0132557.0 [0,1,0,1,0,0|2,0,0]=4 232 B11R1.31 CCC(=O)C(=O)C1=CC=CO1 CNP0113129.0 [0,1,0,1,0,0|2,0,0]=4 233 B11R1.186 C/C=C/C1=CC(=O)[C@@H]([C@H]1O)O CNP0176967.1 [0,1,0,1,0,0|2,0,0]=4 234 B11R1.186 C/C=C/C1=CC(=O)[C@H]([C@@H]1O)O CNP0176967.3 [0,1,0,1,0,0|2,0,0]=4 235 B11R1.186 C/C=C/C1=CC(=O)[C@H]([C@H]1O)O CNP0176967.2 [0,1,0,1,0,0|2,0,0]=4 236 B11R1.186 CC=CC1=CC(=O)[C@@H]([C@@H]1O)O CNP0176967.4 [0,1,0,1,0,0|2,0,0]=4 237 B11R1.192 CCCC1=CC=C(C(=C1)C)C CNP0295102.0 [0,1,0,1,0,0|2,0,0]=4 238 B11R1.214 CCOCC1=CC=C(N1)C=O CNP0163239.0 [0,1,0,1,0,0|2,0,0]=4 239 B11R1.465 CC=CCC1=C(CCC1=O)C CNP0359607.0 [0,1,0,1,0,0|1,0,1]=4 240 B11R1.605 CCCC1=C(C=CC=C1C)C CNP0181300.0 [0,1,0,1,0,0|2,0,0]=4 241 B11R1.605 CCCC1=C(C=CC=C1O)C CNP0602938.0 [0,1,0,1,0,0|1,0,1]=4 242 B11R1.605 CCOC1=C(C=CC=C1C)C CNP0305995.0 [0,1,0,1,0,0|1,0,0]=3 243 B11R2.36 CC1=CC=C2CCCC2=C1 CNP0170611.0 [0,0,0,2,0,0|2,0,0]=4 244 B11R2.36 CC1=CC=C2CCCC2=N1 CNP0269261.0 [0,0,0,2,0,0|2,0,0]=4 245 B11R2.106 CC1=CC=CC2=C1CCC2 CNP0306723.0 [0,0,0,2,0,0|2,0,0]=4 246 B11R2.106 OC1=CC=CC2=C1CCC2 CNP0204315.0 [0,0,0,2,0,0|1,0,1]=4 247 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [0,0,0,2,0,0|0,0,2]=4