0 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.4 CN1CCCC(C1)F 2230a_100000697950_200000210301 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.4 CN1CCCC(C1)F 269982a_100000697950_200000210301 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.4 CN1CCCC(C1)F 34a_100000697950_200000210301 [0,0,0,0,0,0|2,0,1]=3 15 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [0,0,0,0,0,0|1,0,2]=3 16 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [0,0,0,0,0,0|1,0,2]=3 17 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,0,0,0|2,0,0]=2 19 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [0,0,0,0,0,0|2,0,2]=4 20 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [0,0,0,0,0,0|2,0,2]=4 21 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [0,0,0,0,0,0|2,0,0]=2 25 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [0,0,0,0,0,0|2,0,0]=2 27 B8R1.4 [13CH3]N1CCCC(C1)F 2230a_100000697950_200025704644 [0,0,0,0,0,0|2,0,1]=3 28 B8R1.4 [13CH3]N1CCCC(C1)F 269982a_100000697950_200025704644 [0,0,0,0,0,0|2,0,1]=3 29 B8R1.4 [13CH3]N1CCCC(C1)F 34a_100000697950_200025704644 [0,0,0,0,0,0|2,0,1]=3 30 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [0,0,0,0,0,0|1,0,2]=3 31 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [0,0,0,0,0,0|1,0,2]=3 32 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,0,0,0|2,0,0]=2 34 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [0,0,0,0,0,0|2,0,2]=4 35 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [0,0,0,0,0,0|2,0,2]=4 36 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [1,0,0,0,0,0|1,0,1]=3 37 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [1,0,0,0,0,0|1,0,1]=3 38 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [1,0,0,0,0,0|1,0,1]=3 39 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [1,0,0,0,0,0|2,0,0]=3 41 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.3 CN1CCOCC1 2230a_100015191051_200000210301 [1,0,0,0,0,0|2,0,1]=4 43 B7R1.3 CN1CCOCC1 269982a_100015191051_200000210301 [1,0,0,0,0,0|2,0,1]=4 44 B7R1.3 CN1CCOCC1 34a_100015191051_200000210301 [1,0,0,0,0,0|2,0,1]=4 45 B7R1.3 CN1CCSCC1 2230a_100000737611_200000210301 [1,0,0,0,0,0|2,0,1]=4 46 B7R1.3 CN1CCSCC1 269982a_100000737611_200000210301 [1,0,0,0,0,0|2,0,1]=4 47 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [1,0,0,0,0,0|1,0,1]=3 48 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [1,0,0,0,0,0|1,0,1]=3 49 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [1,0,0,0,0,0|1,0,1]=3 50 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [1,0,0,0,0,0|2,0,0]=3 51 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.3 [13CH3]N1CCOCC1 2230a_100015191051_200025704644 [1,0,0,0,0,0|2,0,1]=4 54 B7R1.3 [13CH3]N1CCOCC1 269982a_100015191051_200025704644 [1,0,0,0,0,0|2,0,1]=4 55 B7R1.3 [13CH3]N1CCOCC1 34a_100015191051_200025704644 [1,0,0,0,0,0|2,0,1]=4 56 B7R1.3 [13CH3]N1CCSCC1 2230a_100000737611_200025704644 [1,0,0,0,0,0|2,0,1]=4 57 B7R1.3 [13CH3]N1CCSCC1 269982a_100000737611_200025704644 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.2 C#CC1CCCN(C1)C 2230a_100015191679_200000210301 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.2 C#CC1CCCN(C1)C 269982a_100015191679_200000210301 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.2 C#CC1CCCN(C1)C 34a_100015191679_200000210301 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.2 C#CC1CCCN(C1)[13CH3] 2230a_100015191679_200025704644 [0,1,0,0,0,0|2,0,1]=4 62 B9R1.2 C#CC1CCCN(C1)[13CH3] 269982a_100015191679_200025704644 [0,1,0,0,0,0|2,0,1]=4 63 B9R1.2 C#CC1CCCN(C1)[13CH3] 34a_100015191679_200025704644 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [0,1,0,0,0,0|1,0,1]=3 65 B9R1.2 CC1=CCCN(C1)CF 269982a_100000725631_100015361967 [0,1,0,0,0,0|2,0,1]=4 66 B9R1.2 CC1=CCCN(C1)CF 34a_100000725631_100015361967 [0,1,0,0,0,0|2,0,1]=4 67 B9R1.2 CC1CC(CCO1)O[13CH3] 34a_100011986385_200025704644 [0,1,0,0,0,0|1,0,2]=4 68 B9R1.2 CC1CC(CCO1)O[13CH3] 7a_100011986385_200025704644 [0,1,0,0,0,0|1,0,2]=4 69 B9R1.2 CC1CCCC(C1)N[13CH3] 2230a_100011194320_200025704644 [0,1,0,0,0,0|1,0,1]=3 70 B9R1.2 CC1CCCC(C1)N[13CH3] 34a_100011194320_200025704644 [0,1,0,0,0,0|1,0,1]=3 71 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [0,1,0,0,0,0|0,0,2]=3 72 B9R1.2 CC1CN(CCO1)CF 269982a_100000729577_100015361967 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.2 CC1CN(CCO1)CF 34a_100000729577_100015361967 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.2 CCC1CN(CCO1)C 2230a_100000736320_200000210301 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.2 CCC1CN(CCO1)C 269982a_100000736320_200000210301 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.2 CCC1CN(CCO1)C 34a_100000736320_200000210301 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.2 CCC1CN(CCO1)[13CH3] 2230a_100000736320_200025704644 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.2 CCC1CN(CCO1)[13CH3] 269982a_100000736320_200025704644 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.2 CCC1CN(CCO1)[13CH3] 34a_100000736320_200025704644 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.2 CCN1CCC=C(C1)C 2230a_100000725631_100000210202 [0,1,0,0,0,0|2,0,1]=4 81 B9R1.2 CCN1CCC=C(C1)C 269982a_100000725631_100000204670 [0,1,0,0,0,0|2,0,1]=4 82 B9R1.2 CCN1CCC=C(C1)C 34a_100000725631_100000210202 [0,1,0,0,0,0|2,0,1]=4 83 B9R1.2 CCN1CCCC(C1)F 2230a_100000697950_100000210202 [0,1,0,0,0,0|2,0,1]=4 84 B9R1.2 CCN1CCCC(C1)F 269982a_100000697950_100000204670 [0,1,0,0,0,0|2,0,1]=4 85 B9R1.2 CCN1CCCC(C1)F 34a_100000697950_100000210202 [0,1,0,0,0,0|2,0,1]=4 86 B9R1.2 CCN1CCCC(C1)O 2230a_100000211013_100000210202 [0,1,0,0,0,0|1,0,2]=4 87 B9R1.2 CCN1CCCC(C1)O 269982a_100000211013_100000204670 [0,1,0,0,0,0|1,0,2]=4 88 B9R1.2 CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210202 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.2 CCN1CCC[C@@H](C1)C 269982a_100000717927_100000204670 [0,1,0,0,0,0|2,0,0]=3 90 B9R1.2 CCN1CCC[C@@H](C1)C 34a_100000717927_100000210202 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.2 CCN1CCOC(C1)C 2230a_100000729577_100000210202 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.2 CCN1CCOC(C1)C 269982a_100000729577_100000204670 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.2 CCN1CCOC(C1)C 34a_100000729577_100000210202 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.2 CN1CCCC(C1)C#N 2230a_100016989302_200000210301 [0,1,0,0,0,0|2,0,1]=4 97 B9R1.2 CN1CCCC(C1)C#N 269982a_206835378768_200000210301 [0,1,0,0,0,0|2,0,1]=4 98 B9R1.2 CN1CCCC(C1)CF 2230a_100016992999_200000210301 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.2 CN1CCCC(C1)CF 269982a_100016992999_200000210301 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.2 CN1CCCC(C1)CF 34a_100016992999_200000210301 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.2 CN1CCCC(C1)CO 2230a_100000211344_200000210301 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.2 CN1CCCC(C1)CO 269982a_100000211344_200000210301 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.2 CN1CCCC(C1)CO 34a_100000211344_200000210301 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.2 CN1CCO[C@@H](C1)CO 2230a_100015189573_200000210301 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.2 CN1CCO[C@@H](C1)CO 269982a_100015189573_200000210301 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.2 CN1CCO[C@@H](C1)CO 34a_100015189573_200000210301 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.2 CNC1CCCC(C1)C 2230a_100011194320_200000210301 [0,1,0,0,0,0|1,0,1]=3 108 B9R1.2 CNC1CCCC(C1)C 270004a_106832991635_100000183594 [0,1,0,0,0,0|1,0,1]=3 109 B9R1.2 CNC1CCCC(C1)C 34a_100011194320_200000210301 [0,1,0,0,0,0|1,0,1]=3 110 B9R1.2 CNC1CCCC(C1)O 2230a_100015190357_200000210301 [0,1,0,0,0,0|0,0,2]=3 111 B9R1.2 CNC1CCCC(C1)O 270004a_106832991635_100012613340 [0,1,0,0,0,0|0,0,2]=3 112 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,1,0,0,0,0|1,0,0]=2 113 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,1,0,0,0,0|1,0,0]=2 114 B9R1.2 CNC1CCN[C@@H](C1)C 270004a_106832991635_100016994030 [0,1,0,0,0,0|2,0,1]=4 115 B9R1.2 CNC1CCOC(C1)C 270004a_106832991635_100000755752 [0,1,0,0,0,0|2,0,1]=4 116 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [0,1,0,0,0,0|1,0,1]=3 117 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,1,0,0,0,0|0,0,0]=1 118 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [0,1,0,0,0,0|0,0,2]=3 119 B9R1.2 COC1CCCN(C1)C 2230a_100000695604_200000210301 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.2 COC1CCCN(C1)C 269982a_100000695604_200000210301 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.2 COC1CCCN(C1)C 34a_100000695604_200000210301 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.2 COC1CCCN(C1)[13CH3] 2230a_100000695604_200025704644 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.2 COC1CCCN(C1)[13CH3] 269982a_100000695604_200025704644 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.2 COC1CCCN(C1)[13CH3] 34a_100000695604_200025704644 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.2 COC1CCOC(C1)C 34a_100011986385_200000210301 [0,1,0,0,0,0|1,0,2]=4 126 B9R1.2 COC1CCOC(C1)C 7a_100011986385_200000210301 [0,1,0,0,0,0|1,0,2]=4 127 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,1,0,0,0,0|1,0,0]=2 128 B9R1.2 C[C@H]1CCCN(C1)CF 269982a_100000717927_100015361967 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.2 C[C@H]1CCCN(C1)CF 34a_100000717927_100015361967 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.2 FCN1CCCC(C1)F 269982a_100000697950_100015361967 [0,1,0,0,0,0|2,0,1]=4 131 B9R1.2 FCN1CCCC(C1)F 34a_100000697950_100015361967 [0,1,0,0,0,0|2,0,1]=4 132 B9R1.2 OC1CCCN(C1)CF 269982a_100000211013_100015361967 [0,1,0,0,0,0|1,0,2]=4 133 B9R1.2 [13CH3]N1CCCC(C1)C#N 2230a_100016989302_200025704644 [0,1,0,0,0,0|2,0,1]=4 134 B9R1.2 [13CH3]N1CCCC(C1)C#N 269982a_206835378768_200025704644 [0,1,0,0,0,0|2,0,1]=4 135 B9R1.2 [13CH3]N1CCCC(C1)CF 2230a_100016992999_200025704644 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.2 [13CH3]N1CCCC(C1)CF 269982a_100016992999_200025704644 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.2 [13CH3]N1CCCC(C1)CF 34a_100016992999_200025704644 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.2 [13CH3]N1CCCC(C1)CO 2230a_100000211344_200025704644 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.2 [13CH3]N1CCCC(C1)CO 269982a_100000211344_200025704644 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.2 [13CH3]N1CCCC(C1)CO 34a_100000211344_200025704644 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 2230a_100015189573_200025704644 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 269982a_100015189573_200025704644 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 34a_100015189573_200025704644 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.2 [13CH3]NC1CCCC(C1)O 2230a_100015190357_200025704644 [0,1,0,0,0,0|0,0,2]=3 145 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,1,0,0,0,0|1,0,0]=2 146 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,1,0,0,0,0|1,0,0]=2 147 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,1,0,0,0,0|0,0,0]=1 148 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,1,0,0,0,0|1,0,0]=2 149 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,1,0,0,0,0|2,0,0]=3 154 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.3 CC1CCCC(N1C)C 2230a_100000210447_200000210301 [0,1,0,0,0,0|2,0,1]=4 156 B9R1.3 CC1CCCC(N1C)C 269982a_100000210447_200000210301 [0,1,0,0,0,0|2,0,1]=4 157 B9R1.3 CC1CCCC(N1C)C 34a_100000210447_200000210301 [0,1,0,0,0,0|2,0,1]=4 158 B9R1.3 CC1CCCC(N1[13CH3])C 2230a_100000210447_200025704644 [0,1,0,0,0,0|2,0,1]=4 159 B9R1.3 CC1CCCC(N1[13CH3])C 269982a_100000210447_200025704644 [0,1,0,0,0,0|2,0,1]=4 160 B9R1.3 CC1CCCC(N1[13CH3])C 34a_100000210447_200025704644 [0,1,0,0,0,0|2,0,1]=4 161 B9R1.34 CC1CC(CN(C1)C)C 2230a_100000210448_200000210301 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.34 CC1CC(CN(C1)C)C 269982a_100000210448_200000210301 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.34 CC1CC(CN(C1)C)C 34a_100000210448_200000210301 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.34 CC1CC(CN(C1)[13CH3])C 2230a_100000210448_200025704644 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.34 CC1CC(CN(C1)[13CH3])C 269982a_100000210448_200025704644 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.34 CC1CC(CN(C1)[13CH3])C 34a_100000210448_200025704644 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.34 CC1CN(CC(O1)C)C 2230a_100000210032_200000210301 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.34 CC1CN(CC(O1)C)C 269982a_100000210032_200000210301 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.34 CC1CN(CC(O1)C)C 34a_100000210032_200000210301 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.34 CC1CN(CC(O1)C)[13CH3] 2230a_100000210032_200025704644 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.34 CC1CN(CC(O1)C)[13CH3] 269982a_100000210032_200025704644 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.34 CC1CN(CC(O1)C)[13CH3] 34a_100000210032_200025704644 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.66 CC1(CCCN(C1)[13CH3])C 2230a_100000716857_200025704644 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.66 CC1(CCCN(C1)[13CH3])C 269982a_100000716857_200025704644 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.66 CC1(CCCN(C1)[13CH3])C 34a_100000716857_200025704644 [0,1,0,0,0,0|2,0,0]=3 176 B9R1.66 CC1(CCCN(C1)[13CH3])O 2230a_100000695535_200025704644 [0,1,0,0,0,0|2,0,0]=3 177 B9R1.66 CC1(CCCN(C1)[13CH3])O 269982a_100000695535_200025704644 [0,1,0,0,0,0|2,0,0]=3 178 B9R1.66 CC1(CN(CCO1)[13CH3])C 2230a_100000738910_200025704644 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.66 CC1(CN(CCO1)[13CH3])C 269982a_100000738910_200025704644 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.66 CC1(CN(CCO1)[13CH3])C 34a_100000738910_200025704644 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.66 CN1CCCC(C1)(C)C 2230a_100000716857_200000210301 [0,1,0,0,0,0|2,0,0]=3 182 B9R1.66 CN1CCCC(C1)(C)C 269982a_100000716857_200000210301 [0,1,0,0,0,0|2,0,0]=3 183 B9R1.66 CN1CCCC(C1)(C)C 34a_100000716857_200000210301 [0,1,0,0,0,0|2,0,0]=3 184 B9R1.66 CN1CCCC(C1)(C)O 2230a_100000695535_200000210301 [0,1,0,0,0,0|2,0,0]=3 185 B9R1.66 CN1CCCC(C1)(C)O 269982a_100000695535_200000210301 [0,1,0,0,0,0|2,0,0]=3 186 B9R1.66 CN1CCCC(C1)(F)F 2230a_100000732682_200000210301 [0,1,0,0,0,0|2,0,1]=4 187 B9R1.66 CN1CCCC(C1)(F)F 269982a_100000732682_200000210301 [0,1,0,0,0,0|2,0,1]=4 188 B9R1.66 CN1CCCC(C1)(F)F 34a_100000732682_200000210301 [0,1,0,0,0,0|2,0,1]=4 189 B9R1.66 CN1CCOC(C1)(C)C 2230a_100000738910_200000210301 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.66 CN1CCOC(C1)(C)C 269982a_100000738910_200000210301 [0,1,0,0,0,0|3,0,0]=4 191 B9R1.66 CN1CCOC(C1)(C)C 34a_100000738910_200000210301 [0,1,0,0,0,0|3,0,0]=4 192 B9R1.66 [13CH3]N1CCCC(C1)(F)F 2230a_100000732682_200025704644 [0,1,0,0,0,0|2,0,1]=4 193 B9R1.66 [13CH3]N1CCCC(C1)(F)F 269982a_100000732682_200025704644 [0,1,0,0,0,0|2,0,1]=4 194 B9R1.66 [13CH3]N1CCCC(C1)(F)F 34a_100000732682_200025704644 [0,1,0,0,0,0|2,0,1]=4 195 B9R1.69 CC1CCN(CC1O)C 2230a_100000696640_200000210301 [0,1,0,0,0,0|1,0,2]=4 196 B9R1.69 CC1CCN(CC1O)C 269982a_100000696640_200000210301 [0,1,0,0,0,0|1,0,2]=4 197 B9R1.69 CC1CCN(CC1O)[13CH3] 2230a_100000696640_200025704644 [0,1,0,0,0,0|1,0,2]=4 198 B9R1.69 CC1CCN(CC1O)[13CH3] 269982a_100000696640_200025704644 [0,1,0,0,0,0|1,0,2]=4 199 B9R1.69 CC1CN(CCC1O)C 2230a_100011998114_200000210301 [0,1,0,0,0,0|2,0,0]=3 200 B9R1.69 CC1CN(CCC1O)C 269982a_100011998114_200000210301 [0,1,0,0,0,0|2,0,0]=3 201 B9R1.69 CC1CN(CCC1O)[13CH3] 2230a_100011998114_200025704644 [0,1,0,0,0,0|2,0,0]=3 202 B9R1.69 CC1CN(CCC1O)[13CH3] 269982a_100011998114_200025704644 [0,1,0,0,0,0|2,0,0]=3 203 B9R1.69 CN1CCN(C(=O)C1)C 2230a_100000187256_200000210301 [0,1,0,0,0,0|2,0,0]=3 204 B9R1.69 CN1CCN(C(=O)C1)C 269982a_100000187256_200000210301 [0,1,0,0,0,0|2,0,0]=3 205 B9R1.69 CN1CCN(CC1=O)[13CH3] 2230a_100000187256_200025704644 [0,1,0,0,0,0|2,0,0]=3 206 B9R1.69 CN1CCN(CC1=O)[13CH3] 269982a_100000187256_200025704644 [0,1,0,0,0,0|2,0,0]=3 207 B9R1.69 CN1CC[C@H]([C@H](C1)F)O 2230a_200016994291_200000210301 [0,1,0,0,0,0|2,0,1]=4 208 B9R1.69 CN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_200000210301 [0,1,0,0,0,0|2,0,1]=4 209 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200000210301 [0,1,0,0,0,0|1,0,2]=4 210 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200000210301 [0,1,0,0,0,0|1,0,2]=4 211 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 2230a_100016991869_200000210301 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 269982a_100016991869_200000210301 [0,1,0,0,0,0|3,0,0]=4 213 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 34a_100016991869_200000210301 [0,1,0,0,0,0|3,0,0]=4 214 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 2230a_100016991869_200025704644 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 269982a_100016991869_200025704644 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 34a_100016991869_200025704644 [0,1,0,0,0,0|3,0,0]=4 217 B9R1.69 C[C@H]1CN(CCN1C)C 2230a_100012002466_200000210301 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.69 C[C@H]1CN(CCN1C)C 2230a_100020603432_200000210301 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.69 C[C@H]1CN(CCN1C)C 269982a_100012002466_200000210301 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.69 C[C@H]1CN(CCN1C)C 269982a_100020603432_200000210301 [0,1,0,0,0,0|3,0,0]=4 221 B9R1.69 C[C@H]1CN(CCN1C)[13CH3] 2230a_100020603432_200025704644 [0,1,0,0,0,0|3,0,0]=4 222 B9R1.69 C[C@H]1CN(CCN1C)[13CH3] 269982a_100020603432_200025704644 [0,1,0,0,0,0|3,0,0]=4 223 B9R1.69 C[C@H]1CN(CCN1[13CH3])C 2230a_100012002466_200025704644 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.69 C[C@H]1CN(CCN1[13CH3])C 269982a_100012002466_200025704644 [0,1,0,0,0,0|3,0,0]=4 225 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)F)O 2230a_200016994291_200025704644 [0,1,0,0,0,0|2,0,1]=4 226 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)F)O 269982a_200016994291_200025704644 [0,1,0,0,0,0|2,0,1]=4 227 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200025704644 [0,1,0,0,0,0|1,0,2]=4 228 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200025704644 [0,1,0,0,0,0|1,0,2]=4 229 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [0,0,1,0,0,0|0,0,2]=3 230 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [0,0,1,0,0,0|1,0,2]=4 231 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [0,0,1,0,0,0|1,0,2]=4 232 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [0,0,1,0,0,0|1,0,2]=4 233 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [0,0,1,0,0,0|1,0,2]=4 234 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [0,0,1,0,0,0|1,0,2]=4 235 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,0,1,0,0,0|0,0,2]=3 236 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,0,1,0,0,0|1,0,2]=4 237 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,0,1,0,0,0|2,0,0]=3 238 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,0,1,0,0,0|2,0,0]=3 239 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,0,1,0,0,0|2,0,0]=3 240 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,0,1,0,0,0|2,0,0]=3 241 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,0,1,0,0,0|2,0,0]=3 242 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,0,1,0,0,0|2,0,0]=3 243 B7R0.2 C=C(C)CN(C)CF 269982a_100000225649_100015361967 [0,0,1,0,0,0|3,0,0]=4 244 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,0,1,0,0,0|2,0,0]=3 245 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,0,1,0,0,0|2,0,0]=3 246 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,0,1,0,0,0|1,0,2]=4 247 B7R0.2 C=C(F)CN(C)CC 2230a_100000225621_100009893438 [0,0,1,0,0,0|2,0,1]=4 248 B7R0.2 C=C(F)CN(C)CC 269982a_100000225621_100009893438 [0,0,1,0,0,0|2,0,1]=4 249 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,0,1,0,0,0|0,0,2]=3 250 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [0,0,1,0,0,0|1,0,2]=4 251 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [0,0,1,0,0,0|1,0,2]=4 252 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [0,0,1,0,0,0|1,0,2]=4 253 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,0,1,0,0,0|0,0,2]=3 254 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,0,1,0,0,0|0,0,2]=3 255 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [0,0,1,0,0,0|1,0,2]=4 256 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,0,1,0,0,0|2,0,1]=4 257 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,0,1,0,0,0|1,0,0]=2 258 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [0,0,1,0,0,0|2,0,1]=4 259 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [0,0,1,0,0,0|2,0,1]=4 260 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [0,0,1,0,0,0|2,0,1]=4 261 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,0,1,0,0,0|2,0,0]=3 262 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,0,1,0,0,0|2,0,0]=3 263 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,0,1,0,0,0|2,0,0]=3 264 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,0,1,0,0,0|2,0,0]=3 265 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,0,1,0,0,0|2,0,0]=3 266 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,0,1,0,0,0|2,0,0]=3 267 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,0,1,0,0,0|2,0,0]=3 268 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,0,1,0,0,0|2,0,0]=3 269 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,0,1,0,0,0|1,0,0]=2 270 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,0,1,0,0,0|1,0,0]=2 271 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [0,0,1,0,0,0|2,0,1]=4 272 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,0,1,0,0,0|2,0,1]=4 273 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,0,1,0,0,0|2,0,1]=4 274 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,0,1,0,0,0|2,0,1]=4 275 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,0,1,0,0,0|2,0,1]=4 276 B7R0.2 CC(C)CN(C)CF 269982a_100000747067_100015361967 [0,0,1,0,0,0|3,0,0]=4 277 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,0,1,0,0,0|2,0,0]=3 278 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,0,1,0,0,0|2,0,0]=3 279 B7R0.2 CC(CN(C)C)S[13CH3] 62a_100020606517_200025704644 [0,0,1,0,0,0|3,0,0]=4 280 B7R0.2 CC(CN(C)C)S[13CH3] 62a_200025704644_100020606517 [0,0,1,0,0,0|3,0,0]=4 281 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,0,1,0,0,0|2,0,0]=3 282 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,0,1,0,0,0|0,0,2]=3 283 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,0,1,0,0,0|0,0,2]=3 284 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,0,1,0,0,0|0,0,2]=3 285 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,0,1,0,0,0|1,0,2]=4 286 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,0,1,0,0,0|1,0,2]=4 287 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,0,1,0,0,0|1,0,1]=3 288 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,0,1,0,0,0|2,0,1]=4 289 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,0,1,0,0,0|2,0,1]=4 290 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,0,1,0,0,0|2,0,1]=4 291 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,0,1,0,0,0|0,0,0]=1 292 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,0,1,0,0,0|0,0,0]=1 293 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,0,1,0,0,0|1,0,0]=2 294 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [0,0,1,0,0,0|2,0,0]=3 295 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,0,1,0,0,0|1,0,0]=2 296 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,0,1,0,0,0|1,0,0]=2 297 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,0,1,0,0,0|1,0,0]=2 298 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [0,0,1,0,0,0|3,0,0]=4 299 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,0,1,0,0,0|1,0,0]=2 300 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,0,1,0,0,0|1,0,0]=2 301 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,0,1,0,0,0|1,0,0]=2 302 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,0,1,0,0,0|1,0,0]=2 303 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,0,1,0,0,0|1,0,0]=2 304 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,0,1,0,0,0|0,0,0]=1 305 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,0,1,0,0,0|0,0,0]=1 306 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,0,1,0,0,0|0,0,0]=1 307 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,0,1,0,0,0|2,0,0]=3 308 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,0,1,0,0,0|2,0,0]=3 309 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,0,1,0,0,0|2,0,0]=3 310 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,0,1,0,0,0|2,0,0]=3 311 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,0,1,0,0,0|2,0,0]=3 312 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,0,1,0,0,0|2,0,0]=3 313 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,0,1,0,0,0|2,0,0]=3 314 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,0,1,0,0,0|1,0,0]=2 315 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,0,1,0,0,0|1,0,0]=2 316 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,0,1,0,0,0|1,0,0]=2 317 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,0,1,0,0,0|1,0,0]=2 318 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,0,1,0,0,0|2,0,1]=4 319 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,0,1,0,0,0|2,0,1]=4 320 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,0,1,0,0,0|2,0,1]=4 321 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,0,1,0,0,0|2,0,1]=4 322 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,0,1,0,0,0|2,0,1]=4 323 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,0,1,0,0,0|2,0,1]=4 324 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,0,1,0,0,0|2,0,1]=4 325 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,0,1,0,0,0|1,0,0]=2 326 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,0,1,0,0,0|1,0,0]=2 327 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,0,1,0,0,0|1,0,0]=2 328 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [0,0,1,0,0,0|1,0,2]=4 329 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [0,0,1,0,0,0|1,0,2]=4 330 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,0,1,0,0,0|1,0,0]=2 331 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,0,1,0,0,0|2,0,0]=3 332 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,0,1,0,0,0|2,0,0]=3 333 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,0,1,0,0,0|2,0,0]=3 334 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,0,1,0,0,0|2,0,0]=3 335 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,0,1,0,0,0|2,0,0]=3 336 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,0,1,0,0,0|1,0,0]=2 337 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,0,1,0,0,0|2,0,0]=3 338 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [0,0,1,0,0,0|2,0,0]=3 339 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [0,0,1,0,0,0|2,0,0]=3 340 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [0,0,1,0,0,0|2,0,0]=3 341 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [0,0,1,0,0,0|2,0,0]=3 342 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [0,0,1,0,0,0|2,0,0]=3 343 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [0,0,1,0,0,0|2,0,0]=3 344 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [0,0,1,0,0,0|1,0,2]=4 345 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [0,0,1,0,0,0|1,0,2]=4 346 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [0,0,1,0,0,0|1,0,2]=4 347 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [0,0,1,0,0,0|1,0,2]=4 348 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [0,0,1,0,0,0|1,0,2]=4 349 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [0,0,1,0,0,0|1,0,2]=4 350 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [0,0,1,0,0,0|1,0,2]=4 351 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [0,0,1,0,0,0|1,0,2]=4 352 B7R0.2 CCN(C)C[N+](=O)[O-] 269982a_100000225621_100000761209 [0,0,1,0,0,0|3,0,0]=4 353 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,0,1,0,0,0|2,0,0]=3 354 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [0,0,1,0,0,0|2,0,0]=3 355 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [0,0,1,0,0,0|2,0,0]=3 356 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [0,0,1,0,0,0|1,0,2]=4 357 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [0,0,1,0,0,0|1,0,2]=4 358 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,0,1,0,0,0|0,0,0]=1 359 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,0,1,0,0,0|2,0,0]=3 360 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,0,1,0,0,0|2,0,0]=3 361 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [0,0,1,0,0,0|2,0,0]=3 362 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,0,1,0,0,0|3,0,0]=4 363 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [0,0,1,0,0,0|3,0,0]=4 364 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [0,0,1,0,0,0|1,0,2]=4 365 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [0,0,1,0,0,0|1,0,2]=4 366 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [0,0,1,0,0,0|1,0,2]=4 367 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,0,1,0,0,0|2,0,1]=4 368 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,0,1,0,0,0|1,0,0]=2 369 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,0,1,0,0,0|1,0,0]=2 370 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,0,1,0,0,0|1,0,0]=2 371 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,0,1,0,0,0|1,0,0]=2 372 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,0,1,0,0,0|2,0,0]=3 373 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,0,1,0,0,0|2,0,0]=3 374 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,0,1,0,0,0|2,0,0]=3 375 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,0,1,0,0,0|2,0,0]=3 376 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,0,1,0,0,0|2,0,0]=3 377 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,0,1,0,0,0|2,0,0]=3 378 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,0,1,0,0,0|2,0,0]=3 379 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,0,1,0,0,0|2,0,0]=3 380 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [0,0,1,0,0,0|2,0,0]=3 381 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [0,0,1,0,0,0|2,0,0]=3 382 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [0,0,1,0,0,0|2,0,0]=3 383 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [0,0,1,0,0,0|2,0,0]=3 384 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,0,1,0,0,0|2,0,0]=3 385 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,0,1,0,0,0|2,0,0]=3 386 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,0,1,0,0,0|2,0,0]=3 387 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,0,1,0,0,0|2,0,0]=3 388 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,0,1,0,0,0|2,0,0]=3 389 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [0,0,1,0,0,0|2,0,1]=4 390 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [0,0,1,0,0,0|2,0,1]=4 391 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [0,0,1,0,0,0|2,0,1]=4 392 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [0,0,1,0,0,0|2,0,1]=4 393 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,0,1,0,0,0|2,0,1]=4 394 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,0,1,0,0,0|2,0,1]=4 395 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,0,1,0,0,0|2,0,1]=4 396 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,0,1,0,0,0|2,0,0]=3 397 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,0,1,0,0,0|2,0,0]=3 398 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,0,1,0,0,0|2,0,0]=3 399 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,0,1,0,0,0|2,0,0]=3 400 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,0,1,0,0,0|2,0,1]=4 401 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,0,1,0,0,0|2,0,1]=4 402 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,0,1,0,0,0|2,0,1]=4 403 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,0,1,0,0,0|2,0,1]=4 404 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,0,1,0,0,0|2,0,1]=4 405 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,0,1,0,0,0|2,0,1]=4 406 B7R0.2 CSC(C)CN(C)C 62a_100020606517_200000210301 [0,0,1,0,0,0|3,0,0]=4 407 B7R0.2 CSC(C)CN(C)C 62a_200000210301_100020606517 [0,0,1,0,0,0|3,0,0]=4 408 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,0,1,0,0,0|2,0,0]=3 409 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,0,1,0,0,0|2,0,0]=3 410 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [0,0,1,0,0,0|3,0,0]=4 411 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [0,0,1,0,0,0|3,0,0]=4 412 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,0,1,0,0,0|2,0,0]=3 413 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [0,0,1,0,0,0|2,0,0]=3 414 B7R0.2 O=C(CO)CC(F)F 1458a_100000210174_100011934356 [0,0,1,0,0,0|3,0,0]=4 415 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [0,0,1,0,0,0|3,0,0]=4 416 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [0,0,1,0,0,0|0,0,2]=3 417 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [0,0,1,0,0,0|0,0,2]=3 418 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [0,0,1,0,0,0|0,0,2]=3 419 B7R0.4 C#CCCCN(C)C 2230a_100102631434_100000731252 [0,0,1,0,0,0|2,0,1]=4 420 B7R0.4 C#CCCCN(C)C 269982a_100102631434_100011215417 [0,0,1,0,0,0|2,0,1]=4 421 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [0,0,1,0,0,0|1,0,2]=4 422 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [0,0,1,0,0,0|1,0,2]=4 423 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [0,0,1,0,0,0|1,0,2]=4 424 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [0,0,1,0,0,0|1,0,2]=4 425 B7R0.4 C#CCCNC(C)C 2230a_100138425928_100000688953 [0,0,1,0,0,0|2,0,1]=4 426 B7R0.4 C#CCCNC(C)C 34a_100000755551_100000210206 [0,0,1,0,0,0|2,0,1]=4 427 B7R0.4 C#CCCNC(C)C 34a_100138425928_100000688953 [0,0,1,0,0,0|2,0,1]=4 428 B7R0.4 C#CCCOC(C)C 34a_100000212225_100000688953 [0,0,1,0,0,0|2,0,1]=4 429 B7R0.4 C#CCCOC(C)C 34a_100011215631_100000210206 [0,0,1,0,0,0|2,0,1]=4 430 B7R0.4 C#CCCSC(C)C 62a_100000210206_100000688953 [0,0,1,0,0,0|2,0,1]=4 431 B7R0.4 C#CCCSC(C)C 62a_100000688953_100000210206 [0,0,1,0,0,0|2,0,1]=4 432 B7R0.4 C#CCNCC(C)C 2230a_100000210953_100000038162 [0,0,1,0,0,0|2,0,1]=4 433 B7R0.4 C#CCNCC(C)C 34a_100000210953_100000184674 [0,0,1,0,0,0|2,0,1]=4 434 B7R0.4 C#CCNCC(C)C 34a_100000212058_100000210624 [0,0,1,0,0,0|2,0,1]=4 435 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [0,0,1,0,0,0|1,0,2]=4 436 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [0,0,1,0,0,0|1,0,2]=4 437 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [0,0,1,0,0,0|1,0,2]=4 438 B7R0.4 C#CCOCC(C)C 34a_100000210247_100000210624 [0,0,1,0,0,0|2,0,1]=4 439 B7R0.4 C#CCOCC(C)C 34a_100000210257_100000184674 [0,0,1,0,0,0|2,0,1]=4 440 B7R0.4 C#CCSCC(C)C 62a_100000038162_100000210760 [0,0,1,0,0,0|2,0,1]=4 441 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [0,0,1,0,0,0|2,0,1]=4 442 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [0,0,1,0,0,0|2,0,1]=4 443 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [0,0,1,0,0,0|2,0,1]=4 444 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [0,0,1,0,0,0|2,0,1]=4 445 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [0,0,1,0,0,0|2,0,1]=4 446 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [0,0,1,0,0,0|2,0,1]=4 447 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,0,1,0,0,0|2,0,0]=3 448 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,0,1,0,0,0|2,0,0]=3 449 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,0,1,0,0,0|2,0,0]=3 450 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [0,0,1,0,0,0|3,0,0]=4 451 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,0,1,0,0,0|2,0,0]=3 452 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,0,1,0,0,0|2,0,0]=3 453 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [0,0,1,0,0,0|3,0,0]=4 454 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [0,0,1,0,0,0|3,0,0]=4 455 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [0,0,1,0,0,0|3,0,0]=4 456 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [0,0,1,0,0,0|3,0,0]=4 457 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [0,0,1,0,0,0|3,0,0]=4 458 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [0,0,1,0,0,0|1,0,2]=4 459 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [0,0,1,0,0,0|3,0,0]=4 460 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,0,1,0,0,0|2,0,0]=3 461 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,0,1,0,0,0|2,0,0]=3 462 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [0,0,1,0,0,0|3,0,0]=4 463 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [0,0,1,0,0,0|3,0,0]=4 464 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [0,0,1,0,0,0|3,0,0]=4 465 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [0,0,1,0,0,0|3,0,0]=4 466 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [0,0,1,0,0,0|1,0,2]=4 467 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [0,0,1,0,0,0|1,0,2]=4 468 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,0,1,0,0,0|2,0,0]=3 469 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,0,1,0,0,0|2,0,0]=3 470 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [0,0,1,0,0,0|3,0,0]=4 471 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [0,0,1,0,0,0|3,0,0]=4 472 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [0,0,1,0,0,0|3,0,0]=4 473 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [0,0,1,0,0,0|3,0,0]=4 474 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [0,0,1,0,0,0|3,0,0]=4 475 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [0,0,1,0,0,0|3,0,0]=4 476 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [0,0,1,0,0,0|3,0,0]=4 477 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [0,0,1,0,0,0|3,0,0]=4 478 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [0,0,1,0,0,0|2,0,1]=4 479 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [0,0,1,0,0,0|2,0,1]=4 480 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,0,1,0,0,0|2,0,1]=4 481 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,0,1,0,0,0|2,0,1]=4 482 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,0,1,0,0,0|0,0,2]=3 483 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,0,1,0,0,0|0,0,2]=3 484 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,0,1,0,0,0|0,0,2]=3 485 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [0,0,1,0,0,0|2,0,0]=3 486 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [0,0,1,0,0,0|2,0,0]=3 487 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [0,0,1,0,0,0|1,0,2]=4 488 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [0,0,1,0,0,0|1,0,2]=4 489 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [0,0,1,0,0,0|1,0,2]=4 490 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [0,0,1,0,0,0|1,0,2]=4 491 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [0,0,1,0,0,0|2,0,0]=3 492 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [0,0,1,0,0,0|2,0,0]=3 493 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [0,0,1,0,0,0|2,0,0]=3 494 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [0,0,1,0,0,0|2,0,0]=3 495 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [0,0,1,0,0,0|2,0,0]=3 496 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [0,0,1,0,0,0|2,0,0]=3 497 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [0,0,1,0,0,0|2,0,0]=3 498 B7R0.4 C=CCNCC(C)C 2230a_100000210953_100000210623 [0,0,1,0,0,0|2,0,0]=3 499 B7R0.4 C=CCNCC(C)C 2230a_100020586998_100000210760 [0,0,1,0,0,0|2,0,0]=3 500 B7R0.4 C=CCNCC(C)C 270004a_100020586998_100000210432 [0,0,1,0,0,0|2,0,0]=3 501 B7R0.4 C=CCNCC(C)C 34a_100000210953_100015514636 [0,0,1,0,0,0|2,0,0]=3 502 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [0,0,1,0,0,0|3,0,0]=4 503 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [0,0,1,0,0,0|3,0,0]=4 504 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [0,0,1,0,0,0|3,0,0]=4 505 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [0,0,1,0,0,0|3,0,0]=4 506 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [0,0,1,0,0,0|1,0,2]=4 507 B7R0.4 C=CCOCC(C)Br 34a_100012180447_100015514636 [0,0,1,0,0,0|3,0,0]=4 508 B7R0.4 C=CCOCC(C)C 34a_100000210257_100015514636 [0,0,1,0,0,0|2,0,0]=3 509 B7R0.4 C=CCOCC(C)C 34a_200000210373_100000210624 [0,0,1,0,0,0|2,0,0]=3 510 B7R0.4 C=CCOCC(C)F 34a_100015925927_100015514636 [0,0,1,0,0,0|3,0,0]=4 511 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [0,0,1,0,0,0|3,0,0]=4 512 B7R0.4 C=CCOC[C@@H](C)Cl 34a_100016084084_100015514636 [0,0,1,0,0,0|3,0,0]=4 513 B7R0.4 C=CCOC[C@@H](C)N 34a_100000737577_100015514636 [0,0,1,0,0,0|3,0,0]=4 514 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [0,0,1,0,0,0|3,0,0]=4 515 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [0,0,1,0,0,0|1,0,2]=4 516 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [0,0,1,0,0,0|1,0,2]=4 517 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [0,0,1,0,0,0|2,0,0]=3 518 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [0,0,1,0,0,0|2,0,0]=3 519 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [0,0,1,0,0,0|3,0,0]=4 520 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [0,0,1,0,0,0|3,0,0]=4 521 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [0,0,1,0,0,0|3,0,0]=4 522 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [0,0,1,0,0,0|3,0,0]=4 523 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,0,1,0,0,0|1,0,2]=4 524 B7R0.4 C=COCCN(C)C 2230a_100102631434_100000039644 [0,0,1,0,0,0|3,0,0]=4 525 B7R0.4 C=COCCN(C)C 269982a_100102631434_100000039644 [0,0,1,0,0,0|3,0,0]=4 526 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [0,0,1,0,0,0|1,0,2]=4 527 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [0,0,1,0,0,0|1,0,2]=4 528 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [0,0,1,0,0,0|1,0,2]=4 529 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [0,0,1,0,0,0|2,0,1]=4 530 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [0,0,1,0,0,0|2,0,1]=4 531 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [0,0,1,0,0,0|1,0,2]=4 532 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [0,0,1,0,0,0|1,0,1]=3 533 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [0,0,1,0,0,0|1,0,1]=3 534 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,0,1,0,0,0|1,0,0]=2 535 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,0,1,0,0,0|1,0,0]=2 536 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,0,1,0,0,0|1,0,0]=2 537 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,0,1,0,0,0|1,0,0]=2 538 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,0,1,0,0,0|1,0,0]=2 539 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,0,1,0,0,0|1,0,0]=2 540 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,0,1,0,0,0|1,0,0]=2 541 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [0,0,1,0,0,0|3,0,0]=4 542 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,0,1,0,0,0|2,0,0]=3 543 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,0,1,0,0,0|2,0,0]=3 544 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,0,1,0,0,0|2,0,0]=3 545 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,0,1,0,0,0|2,0,0]=3 546 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,0,1,0,0,0|2,0,1]=4 547 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,0,1,0,0,0|2,0,0]=3 548 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,0,1,0,0,0|2,0,0]=3 549 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,0,1,0,0,0|2,0,0]=3 550 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [0,0,1,0,0,0|2,0,1]=4 551 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [0,0,1,0,0,0|2,0,1]=4 552 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [0,0,1,0,0,0|2,0,1]=4 553 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [0,0,1,0,0,0|2,0,1]=4 554 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [0,0,1,0,0,0|2,0,1]=4 555 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,0,1,0,0,0|2,0,0]=3 556 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,0,1,0,0,0|2,0,0]=3 557 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,0,1,0,0,0|2,0,0]=3 558 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,0,1,0,0,0|2,0,0]=3 559 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,0,1,0,0,0|2,0,0]=3 560 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,0,1,0,0,0|2,0,0]=3 561 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,0,1,0,0,0|2,0,0]=3 562 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,0,1,0,0,0|2,0,0]=3 563 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,0,1,0,0,0|2,0,0]=3 564 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,0,1,0,0,0|2,0,0]=3 565 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [0,0,1,0,0,0|3,0,0]=4 566 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,0,1,0,0,0|2,0,0]=3 567 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,0,1,0,0,0|2,0,0]=3 568 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [0,0,1,0,0,0|3,0,0]=4 569 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [0,0,1,0,0,0|3,0,0]=4 570 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [0,0,1,0,0,0|2,0,0]=3 571 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [0,0,1,0,0,0|2,0,0]=3 572 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [0,0,1,0,0,0|2,0,0]=3 573 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [0,0,1,0,0,0|2,0,0]=3 574 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [0,0,1,0,0,0|2,0,0]=3 575 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [0,0,1,0,0,0|2,0,0]=3 576 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [0,0,1,0,0,0|2,0,0]=3 577 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [0,0,1,0,0,0|2,0,1]=4 578 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [0,0,1,0,0,0|2,0,1]=4 579 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [0,0,1,0,0,0|2,0,1]=4 580 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [0,0,1,0,0,0|2,0,1]=4 581 B7R0.4 CC(C)CNCC#N 2230a_100000210953_100011215382 [0,0,1,0,0,0|2,0,1]=4 582 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,0,1,0,0,0|1,0,0]=2 583 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,0,1,0,0,0|1,0,0]=2 584 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [0,0,1,0,0,0|2,0,1]=4 585 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [0,0,1,0,0,0|2,0,1]=4 586 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [0,0,1,0,0,0|2,0,1]=4 587 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [0,0,1,0,0,0|1,0,2]=4 588 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [0,0,1,0,0,0|1,0,2]=4 589 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [0,0,1,0,0,0|1,0,2]=4 590 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [0,0,1,0,0,0|1,0,2]=4 591 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [0,0,1,0,0,0|1,0,2]=4 592 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [0,0,1,0,0,0|1,0,0]=2 593 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [0,0,1,0,0,0|2,0,1]=4 594 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [0,0,1,0,0,0|2,0,1]=4 595 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [0,0,1,0,0,0|2,0,1]=4 596 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [0,0,1,0,0,0|1,0,2]=4 597 B7R0.4 CC(C)CSCC#N 62a_100000210624_100011215382 [0,0,1,0,0,0|2,0,1]=4 598 B7R0.4 CC(C)CSCC#N 62a_100011215382_100000210760 [0,0,1,0,0,0|2,0,1]=4 599 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [0,0,1,0,0,0|1,0,0]=2 600 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [0,0,1,0,0,0|1,0,0]=2 601 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [0,0,1,0,0,0|2,0,1]=4 602 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [0,0,1,0,0,0|2,0,1]=4 603 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [0,0,1,0,0,0|1,0,2]=4 604 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [0,0,1,0,0,0|1,0,2]=4 605 B7R0.4 CC(C)NCCC#N 2230a_100138425928_100011215226 [0,0,1,0,0,0|2,0,1]=4 606 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [0,0,1,0,0,0|2,0,1]=4 607 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [0,0,1,0,0,0|2,0,1]=4 608 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [0,0,1,0,0,0|2,0,1]=4 609 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [0,0,1,0,0,0|2,0,1]=4 610 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [0,0,1,0,0,0|1,0,2]=4 611 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [0,0,1,0,0,0|1,0,2]=4 612 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [0,0,1,0,0,0|3,0,0]=4 613 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [0,0,1,0,0,0|2,0,1]=4 614 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [0,0,1,0,0,0|2,0,1]=4 615 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [0,0,1,0,0,0|2,0,1]=4 616 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [0,0,1,0,0,0|2,0,1]=4 617 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [0,0,1,0,0,0|2,0,1]=4 618 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [0,0,1,0,0,0|1,0,2]=4 619 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [0,0,1,0,0,0|3,0,0]=4 620 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [0,0,1,0,0,0|3,0,0]=4 621 B7R0.4 CC(C)OCCON 34a_100000700252_100000210206 [0,0,1,0,0,0|3,0,0]=4 622 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [0,0,1,0,0,0|3,0,0]=4 623 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [0,0,1,0,0,0|3,0,0]=4 624 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [0,0,1,0,0,0|3,0,0]=4 625 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [0,0,1,0,0,0|3,0,0]=4 626 B7R0.4 CC(C)SCCC#N 62a_100000210206_100011215226 [0,0,1,0,0,0|2,0,1]=4 627 B7R0.4 CC(C)SCCC#N 62a_100011215226_100000210206 [0,0,1,0,0,0|2,0,1]=4 628 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [0,0,1,0,0,0|2,0,1]=4 629 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [0,0,1,0,0,0|2,0,1]=4 630 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [0,0,1,0,0,0|1,0,2]=4 631 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [0,0,1,0,0,0|1,0,2]=4 632 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [0,0,1,0,0,0|3,0,0]=4 633 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [0,0,1,0,0,0|3,0,0]=4 634 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [0,0,1,0,0,0|3,0,0]=4 635 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [0,0,1,0,0,0|3,0,0]=4 636 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [0,0,1,0,0,0|3,0,0]=4 637 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [0,0,1,0,0,0|3,0,0]=4 638 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [0,0,1,0,0,0|2,0,0]=3 639 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,0,1,0,0,0|1,0,2]=4 640 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,0,1,0,0,0|1,0,2]=4 641 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [0,0,1,0,0,0|2,0,0]=3 642 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [0,0,1,0,0,0|2,0,0]=3 643 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [0,0,1,0,0,0|2,0,0]=3 644 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [0,0,1,0,0,0|2,0,0]=3 645 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,0,1,0,0,0|0,0,2]=3 646 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,0,1,0,0,0|0,0,2]=3 647 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,0,1,0,0,0|0,0,2]=3 648 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [0,0,1,0,0,0|2,0,1]=4 649 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [0,0,1,0,0,0|2,0,1]=4 650 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [0,0,1,0,0,0|2,0,1]=4 651 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [0,0,1,0,0,0|2,0,1]=4 652 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [0,0,1,0,0,0|2,0,1]=4 653 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [0,0,1,0,0,0|0,0,2]=3 654 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [0,0,1,0,0,0|2,0,1]=4 655 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [0,0,1,0,0,0|0,0,2]=3 656 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [0,0,1,0,0,0|0,0,2]=3 657 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,0,1,0,0,0|0,0,2]=3 658 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,0,1,0,0,0|0,0,2]=3 659 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,0,1,0,0,0|0,0,0]=1 660 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,0,1,0,0,0|0,0,0]=1 661 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,0,1,0,0,0|0,0,0]=1 662 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [0,0,1,0,0,0|2,0,0]=3 663 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [0,0,1,0,0,0|2,0,0]=3 664 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [0,0,1,0,0,0|2,0,0]=3 665 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [0,0,1,0,0,0|2,0,0]=3 666 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [0,0,1,0,0,0|2,0,0]=3 667 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [0,0,1,0,0,0|2,0,0]=3 668 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,0,1,0,0,0|1,0,0]=2 669 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,0,1,0,0,0|1,0,0]=2 670 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,0,1,0,0,0|1,0,0]=2 671 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,0,1,0,0,0|1,0,0]=2 672 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [0,0,1,0,0,0|2,0,1]=4 673 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [0,0,1,0,0,0|2,0,1]=4 674 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [0,0,1,0,0,0|2,0,1]=4 675 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [0,0,1,0,0,0|2,0,1]=4 676 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [0,0,1,0,0,0|2,0,1]=4 677 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [0,0,1,0,0,0|2,0,1]=4 678 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [0,0,1,0,0,0|2,0,1]=4 679 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [0,0,1,0,0,0|2,0,1]=4 680 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [0,0,1,0,0,0|2,0,1]=4 681 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,0,1,0,0,0|2,0,0]=3 682 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,0,1,0,0,0|2,0,0]=3 683 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [0,0,1,0,0,0|2,0,1]=4 684 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [0,0,1,0,0,0|2,0,1]=4 685 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [0,0,1,0,0,0|2,0,1]=4 686 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,0,1,0,0,0|1,0,2]=4 687 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,0,1,0,0,0|1,0,2]=4 688 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,0,1,0,0,0|2,0,0]=3 689 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,0,1,0,0,0|1,0,0]=2 690 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,0,1,0,0,0|1,0,0]=2 691 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,0,1,0,0,0|2,0,0]=3 692 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,0,1,0,0,0|1,0,0]=2 693 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,0,1,0,0,0|2,0,0]=3 694 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [0,0,1,0,0,0|2,0,1]=4 695 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [0,0,1,0,0,0|2,0,1]=4 696 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [0,0,1,0,0,0|2,0,1]=4 697 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [0,0,1,0,0,0|2,0,1]=4 698 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [0,0,1,0,0,0|1,0,2]=4 699 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [0,0,1,0,0,0|2,0,1]=4 700 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [0,0,1,0,0,0|2,0,1]=4 701 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [0,0,1,0,0,0|1,0,2]=4 702 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [0,0,1,0,0,0|3,0,0]=4 703 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,0,1,0,0,0|1,0,0]=2 704 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,0,1,0,0,0|2,0,0]=3 705 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,0,1,0,0,0|2,0,0]=3 706 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,0,1,0,0,0|1,0,0]=2 707 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,0,1,0,0,0|2,0,0]=3 708 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,0,1,0,0,0|2,0,0]=3 709 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [0,0,1,0,0,0|2,0,1]=4 710 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [0,0,1,0,0,0|2,0,1]=4 711 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [0,0,1,0,0,0|1,0,2]=4 712 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [0,0,1,0,0,0|1,0,2]=4 713 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [0,0,1,0,0,0|1,0,2]=4 714 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [0,0,1,0,0,0|1,0,2]=4 715 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [0,0,1,0,0,0|3,0,0]=4 716 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [0,0,1,0,0,0|2,0,1]=4 717 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [0,0,1,0,0,0|2,0,1]=4 718 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,0,1,0,0,0|2,0,0]=3 719 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [0,0,1,0,0,0|2,0,1]=4 720 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [0,0,1,0,0,0|2,0,1]=4 721 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [0,0,1,0,0,0|1,0,2]=4 722 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [0,0,1,0,0,0|1,0,2]=4 723 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,0,1,0,0,0|3,0,0]=4 724 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,0,1,0,0,0|1,0,2]=4 725 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,0,1,0,0,0|1,0,2]=4 726 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [0,0,1,0,0,0|2,0,1]=4 727 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [0,0,1,0,0,0|2,0,1]=4 728 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,0,1,0,0,0|1,0,0]=2 729 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,0,1,0,0,0|1,0,0]=2 730 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,0,1,0,0,0|1,0,0]=2 731 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,0,1,0,0,0|1,0,0]=2 732 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,0,1,0,0,0|2,0,0]=3 733 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,0,1,0,0,0|2,0,0]=3 734 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,0,1,0,0,0|2,0,0]=3 735 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,0,1,0,0,0|1,0,0]=2 736 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [0,0,1,0,0,0|2,0,1]=4 737 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [0,0,1,0,0,0|2,0,1]=4 738 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [0,0,1,0,0,0|2,0,1]=4 739 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [0,0,1,0,0,0|2,0,1]=4 740 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,0,1,0,0,0|1,0,2]=4 741 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [0,0,1,0,0,0|3,0,0]=4 742 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [0,0,1,0,0,0|3,0,0]=4 743 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [0,0,1,0,0,0|2,0,1]=4 744 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [0,0,1,0,0,0|2,0,0]=3 745 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [0,0,1,0,0,0|2,0,1]=4 746 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [0,0,1,0,0,0|2,0,1]=4 747 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,0,1,0,0,0|1,0,0]=2 748 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,0,1,0,0,0|1,0,0]=2 749 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,0,1,0,0,0|1,0,0]=2 750 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,0,1,0,0,0|1,0,0]=2 751 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,0,1,0,0,0|2,0,0]=3 752 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,0,1,0,0,0|2,0,0]=3 753 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,0,1,0,0,0|1,0,0]=2 754 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [0,0,1,0,0,0|2,0,1]=4 755 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [0,0,1,0,0,0|2,0,1]=4 756 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [0,0,1,0,0,0|1,0,2]=4 757 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [0,0,1,0,0,0|1,0,2]=4 758 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [0,0,1,0,0,0|3,0,0]=4 759 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [0,0,1,0,0,0|3,0,0]=4 760 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [0,0,1,0,0,0|3,0,0]=4 761 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,0,1,0,0,0|2,0,0]=3 762 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,0,1,0,0,0|2,0,0]=3 763 B7R0.4 CN(C)CCCC#N 2230a_100102631434_100000687738 [0,0,1,0,0,0|2,0,1]=4 764 B7R0.4 CN(C)CCCC#N 269982a_100102631434_100000687738 [0,0,1,0,0,0|2,0,1]=4 765 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [0,0,1,0,0,0|1,0,0]=2 766 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [0,0,1,0,0,0|1,0,0]=2 767 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [0,0,1,0,0,0|2,0,1]=4 768 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [0,0,1,0,0,0|2,0,1]=4 769 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [0,0,1,0,0,0|1,0,2]=4 770 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [0,0,1,0,0,0|1,0,2]=4 771 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [0,0,1,0,0,0|1,0,2]=4 772 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [0,0,1,0,0,0|1,0,2]=4 773 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [0,0,1,0,0,0|3,0,0]=4 774 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [0,0,1,0,0,0|1,0,2]=4 775 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [0,0,1,0,0,0|1,0,2]=4 776 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [0,0,1,0,0,0|2,0,1]=4 777 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [0,0,1,0,0,0|2,0,1]=4 778 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [0,0,1,0,0,0|2,0,1]=4 779 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,0,1,0,0,0|1,0,0]=2 780 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,0,1,0,0,0|1,0,0]=2 781 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,0,1,0,0,0|2,0,0]=3 782 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,0,1,0,0,0|2,0,0]=3 783 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,0,1,0,0,0|2,0,0]=3 784 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [0,0,1,0,0,0|2,0,0]=3 785 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [0,0,1,0,0,0|2,0,0]=3 786 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [0,0,1,0,0,0|2,0,0]=3 787 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [0,0,1,0,0,0|2,0,0]=3 788 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [0,0,1,0,0,0|2,0,0]=3 789 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,0,1,0,0,0|1,0,2]=4 790 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,0,1,0,0,0|1,0,2]=4 791 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,0,1,0,0,0|1,0,2]=4 792 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [0,0,1,0,0,0|3,0,0]=4 793 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [0,0,1,0,0,0|2,0,0]=3 794 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,0,1,0,0,0|2,0,0]=3 795 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,0,1,0,0,0|2,0,0]=3 796 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,0,1,0,0,0|2,0,0]=3 797 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [0,0,1,0,0,0|3,0,0]=4 798 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [0,0,1,0,0,0|3,0,0]=4 799 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [0,0,1,0,0,0|3,0,0]=4 800 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [0,0,1,0,0,0|2,0,0]=3 801 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [0,0,1,0,0,0|2,0,0]=3 802 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,0,1,0,0,0|3,0,0]=4 803 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,0,1,0,0,0|3,0,0]=4 804 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [0,0,1,0,0,0|3,0,0]=4 805 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [0,0,1,0,0,0|3,0,0]=4 806 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [0,0,1,0,0,0|3,0,0]=4 807 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [0,0,1,0,0,0|3,0,0]=4 808 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [0,0,1,0,0,0|3,0,0]=4 809 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [0,0,1,0,0,0|3,0,0]=4 810 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [0,0,1,0,0,0|3,0,0]=4 811 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [0,0,1,0,0,0|3,0,0]=4 812 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [0,0,1,0,0,0|3,0,0]=4 813 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [0,0,1,0,0,0|3,0,0]=4 814 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,0,1,0,0,0|1,0,2]=4 815 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,0,1,0,0,0|1,0,2]=4 816 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [0,0,1,0,0,0|2,0,1]=4 817 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,0,1,0,0,0|1,0,0]=2 818 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,0,1,0,0,0|1,0,0]=2 819 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,0,1,0,0,0|1,0,0]=2 820 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,0,1,0,0,0|1,0,0]=2 821 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,0,1,0,0,0|1,0,0]=2 822 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,0,1,0,0,0|2,0,0]=3 823 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,0,1,0,0,0|1,0,0]=2 824 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [0,0,1,0,0,0|2,0,0]=3 825 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [0,0,1,0,0,0|2,0,0]=3 826 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [0,0,1,0,0,0|2,0,0]=3 827 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,0,1,0,0,0|1,0,2]=4 828 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [0,0,1,0,0,0|3,0,0]=4 829 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [0,0,1,0,0,0|3,0,0]=4 830 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [0,0,1,0,0,0|3,0,0]=4 831 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [0,0,1,0,0,0|3,0,0]=4 832 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [0,0,1,0,0,0|3,0,0]=4 833 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [0,0,1,0,0,0|3,0,0]=4 834 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [0,0,1,0,0,0|3,0,0]=4 835 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,0,1,0,0,0|2,0,0]=3 836 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,0,1,0,0,0|2,0,0]=3 837 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,0,1,0,0,0|2,0,0]=3 838 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,0,1,0,0,0|2,0,0]=3 839 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,0,1,0,0,0|3,0,0]=4 840 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [0,0,1,0,0,0|3,0,0]=4 841 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [0,0,1,0,0,0|3,0,0]=4 842 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [0,0,1,0,0,0|3,0,0]=4 843 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [0,0,1,0,0,0|3,0,0]=4 844 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,0,1,0,0,0|2,0,0]=3 845 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,0,1,0,0,0|3,0,0]=4 846 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,0,1,0,0,0|3,0,0]=4 847 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [0,0,1,0,0,0|3,0,0]=4 848 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [0,0,1,0,0,0|3,0,0]=4 849 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [0,0,1,0,0,0|3,0,0]=4 850 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [0,0,1,0,0,0|3,0,0]=4 851 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [0,0,1,0,0,0|3,0,0]=4 852 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [0,0,1,0,0,0|3,0,0]=4 853 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [0,0,1,0,0,0|3,0,0]=4 854 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [0,0,1,0,0,0|3,0,0]=4 855 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [0,0,1,0,0,0|3,0,0]=4 856 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [0,0,1,0,0,0|3,0,0]=4 857 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,0,1,0,0,0|3,0,0]=4 858 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,0,1,0,0,0|3,0,0]=4 859 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [0,0,1,0,0,0|3,0,0]=4 860 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,0,1,0,0,0|3,0,0]=4 861 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,0,1,0,0,0|3,0,0]=4 862 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,0,1,0,0,0|3,0,0]=4 863 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,0,1,0,0,0|3,0,0]=4 864 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [0,0,1,0,0,0|3,0,0]=4 865 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [0,0,1,0,0,0|3,0,0]=4 866 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [0,0,1,0,0,0|2,0,0]=3 867 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [0,0,1,0,0,0|2,0,1]=4 868 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [0,0,1,0,0,0|2,0,1]=4 869 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,0,1,0,0,0|1,0,0]=2 870 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,0,1,0,0,0|1,0,0]=2 871 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,0,1,0,0,0|1,0,0]=2 872 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,0,1,0,0,0|2,0,0]=3 873 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,0,1,0,0,0|2,0,0]=3 874 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,0,1,0,0,0|1,0,0]=2 875 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [0,0,1,0,0,0|2,0,0]=3 876 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [0,0,1,0,0,0|2,0,0]=3 877 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,0,1,0,0,0|1,0,2]=4 878 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,0,1,0,0,0|1,0,2]=4 879 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [0,0,1,0,0,0|3,0,0]=4 880 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,0,1,0,0,0|2,0,0]=3 881 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,0,1,0,0,0|2,0,0]=3 882 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,0,1,0,0,0|2,0,0]=3 883 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,0,1,0,0,0|2,0,0]=3 884 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,0,1,0,0,0|2,0,0]=3 885 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,0,1,0,0,0|2,0,0]=3 886 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [0,0,1,0,0,0|3,0,0]=4 887 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [0,0,1,0,0,0|3,0,0]=4 888 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [0,0,1,0,0,0|3,0,0]=4 889 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [0,0,1,0,0,0|3,0,0]=4 890 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [0,0,1,0,0,0|3,0,0]=4 891 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,0,1,0,0,0|2,0,0]=3 892 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,0,1,0,0,0|2,0,0]=3 893 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,0,1,0,0,0|3,0,0]=4 894 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,0,1,0,0,0|3,0,0]=4 895 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [0,0,1,0,0,0|3,0,0]=4 896 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [0,0,1,0,0,0|3,0,0]=4 897 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [0,0,1,0,0,0|3,0,0]=4 898 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [0,0,1,0,0,0|3,0,0]=4 899 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [0,0,1,0,0,0|3,0,0]=4 900 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [0,0,1,0,0,0|3,0,0]=4 901 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [0,0,1,0,0,0|3,0,0]=4 902 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [0,0,1,0,0,0|3,0,0]=4 903 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [0,0,1,0,0,0|3,0,0]=4 904 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,0,1,0,0,0|3,0,0]=4 905 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,0,1,0,0,0|3,0,0]=4 906 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [0,0,1,0,0,0|3,0,0]=4 907 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [0,0,1,0,0,0|3,0,0]=4 908 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,0,1,0,0,0|2,0,0]=3 909 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [0,0,1,0,0,0|3,0,0]=4 910 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,0,1,0,0,0|3,0,0]=4 911 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,0,1,0,0,0|3,0,0]=4 912 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,0,1,0,0,0|3,0,0]=4 913 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,0,1,0,0,0|3,0,0]=4 914 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [0,0,1,0,0,0|3,0,0]=4 915 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [0,0,1,0,0,0|3,0,0]=4 916 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [0,0,1,0,0,0|2,0,0]=3 917 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [0,0,1,0,0,0|2,0,0]=3 918 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [0,0,1,0,0,0|2,0,0]=3 919 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [0,0,1,0,0,0|2,0,0]=3 920 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,0,1,0,0,0|3,0,0]=4 921 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,0,1,0,0,0|3,0,0]=4 922 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,0,1,0,0,0|3,0,0]=4 923 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,0,1,0,0,0|3,0,0]=4 924 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,0,1,0,0,0|3,0,0]=4 925 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,0,1,0,0,0|3,0,0]=4 926 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,0,1,0,0,0|3,0,0]=4 927 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,0,1,0,0,0|3,0,0]=4 928 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,0,1,0,0,0|3,0,0]=4 929 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,0,1,0,0,0|3,0,0]=4 930 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,0,1,0,0,0|3,0,0]=4 931 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,0,1,0,0,0|3,0,0]=4 932 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,0,1,0,0,0|3,0,0]=4 933 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,0,1,0,0,0|3,0,0]=4 934 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,0,1,0,0,0|3,0,0]=4 935 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [0,0,1,0,0,0|3,0,0]=4 936 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,0,1,0,0,0|3,0,0]=4 937 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,0,1,0,0,0|3,0,0]=4 938 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,0,1,0,0,0|3,0,0]=4 939 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,0,1,0,0,0|3,0,0]=4 940 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [0,0,1,0,0,0|3,0,0]=4 941 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [0,0,1,0,0,0|3,0,0]=4 942 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [0,0,1,0,0,0|3,0,0]=4 943 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,0,1,0,0,0|3,0,0]=4 944 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,0,1,0,0,0|3,0,0]=4 945 B7R0.4 O=CCNCC(F)F 34a_100000765723_200009817547 [0,0,1,0,0,0|3,0,0]=4 946 B7R0.4 O=CCOCC(F)F 34a_100000743014_200009817547 [0,0,1,0,0,0|3,0,0]=4 947 B7R0.4 O=CCSCC(F)F 62a_100011934356_200015260668 [0,0,1,0,0,0|3,0,0]=4 948 B7R0.4 O=CCSCC(F)F 62a_200015260668_100011934356 [0,0,1,0,0,0|3,0,0]=4 949 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [0,0,1,0,0,0|1,0,1]=3 950 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,0,1,0,0,0|1,0,0]=2 951 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [0,0,1,0,0,0|3,0,0]=4 952 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,0,1,0,0,0|2,0,0]=3 953 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [0,0,1,0,0,0|2,0,1]=4 954 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,0,1,0,0,0|2,0,0]=3 955 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [0,0,1,0,0,0|3,0,0]=4 956 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [0,0,1,0,0,0|3,0,0]=4 957 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,0,1,0,0,0|3,0,0]=4 958 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,0,1,0,0,0|3,0,0]=4 959 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,0,1,0,0,0|2,0,0]=3 960 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,0,1,0,0,0|2,0,0]=3 961 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [0,0,1,0,0,0|3,0,0]=4 962 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [0,0,1,0,0,0|3,0,0]=4 963 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,0,1,0,0,0|3,0,0]=4 964 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,0,1,0,0,0|3,0,0]=4 965 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [0,0,1,0,0,0|0,0,2]=3 966 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [0,0,1,0,0,0|0,0,2]=3 967 B7R0.7 C#CCC(=O)CCF 1458a_100011220946_100011217306 [0,0,1,0,0,0|1,0,2]=4 968 B7R0.7 C#CCC(=O)CCO 1458a_100011216618_100000184674 [0,0,1,0,0,0|1,0,2]=4 969 B7R0.7 C#CCC(=O)CCO 1458a_100011220946_100000211926 [0,0,1,0,0,0|1,0,2]=4 970 B7R0.7 C#CCC(=O)COC 1458a_100000210968_100000184674 [0,0,1,0,0,0|1,0,2]=4 971 B7R0.7 C#CCC(=O)CSC 1458a_100000184570_100000184674 [0,0,1,0,0,0|1,0,2]=4 972 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [0,0,1,0,0,0|1,0,2]=4 973 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [0,0,1,0,0,0|2,0,1]=4 974 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [0,0,1,0,0,0|2,0,1]=4 975 B7R0.7 C#CCN(C)CC=O 2230a_100000225692_200015260668 [0,0,1,0,0,0|1,0,2]=4 976 B7R0.7 C#CCN(C)CC=O 34a_100000225692_200009817547 [0,0,1,0,0,0|1,0,2]=4 977 B7R0.7 C#CCN(C)CCC 2230a_100000225692_100000210303 [0,0,1,0,0,0|2,0,1]=4 978 B7R0.7 C#CCN(C)CCC 2230a_100000747261_100000038162 [0,0,1,0,0,0|2,0,1]=4 979 B7R0.7 C#CCN(C)CCC 34a_100000225692_100000210303 [0,0,1,0,0,0|2,0,1]=4 980 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,0,1,0,0,0|2,0,1]=4 981 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,0,1,0,0,0|0,0,2]=3 982 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,0,1,0,0,0|0,0,2]=3 983 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,0,1,0,0,0|1,0,2]=4 984 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,0,1,0,0,0|1,0,2]=4 985 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,0,1,0,0,0|1,0,2]=4 986 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,0,1,0,0,0|1,0,2]=4 987 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,0,1,0,0,0|1,0,2]=4 988 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,0,1,0,0,0|1,0,2]=4 989 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,0,1,0,0,0|1,0,2]=4 990 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,0,1,0,0,0|1,0,2]=4 991 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [0,0,1,0,0,0|2,0,0]=3 992 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [0,0,1,0,0,0|2,0,0]=3 993 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [0,0,1,0,0,0|2,0,0]=3 994 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [0,0,1,0,0,0|2,0,0]=3 995 B7R0.7 C=CCN(C)CC=O 2230a_100000225617_200015260668 [0,0,1,0,0,0|1,0,2]=4 996 B7R0.7 C=CCN(C)CC=O 269982a_100000225617_200015260668 [0,0,1,0,0,0|1,0,2]=4 997 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [0,0,1,0,0,0|2,0,0]=3 998 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [0,0,1,0,0,0|2,0,0]=3 999 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [0,0,1,0,0,0|2,0,0]=3 1000 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [0,0,1,0,0,0|2,0,0]=3 1001 B7R0.7 C=CCN(C)CCF 2230a_100000225617_100011217306 [0,0,1,0,0,0|3,0,0]=4 1002 B7R0.7 C=CCN(C)CCF 269982a_100000225617_100011217306 [0,0,1,0,0,0|3,0,0]=4 1003 B7R0.7 C=CCN(C)CCO 2230a_100000210263_100000210623 [0,0,1,0,0,0|3,0,0]=4 1004 B7R0.7 C=CCN(C)CCO 2230a_100000225617_100000211926 [0,0,1,0,0,0|3,0,0]=4 1005 B7R0.7 C=CCN(C)CCO 269982a_100000210263_100000210623 [0,0,1,0,0,0|3,0,0]=4 1006 B7R0.7 C=CCN(C)CCO 269982a_100000225617_100000211926 [0,0,1,0,0,0|3,0,0]=4 1007 B7R0.7 C=CCN(C)COC 2230a_100000225617_100000766300 [0,0,1,0,0,0|3,0,0]=4 1008 B7R0.7 C=CCN(C)COC 269982a_100000225617_100000766300 [0,0,1,0,0,0|3,0,0]=4 1009 B7R0.7 C=CCN(C)CSC 2230a_100000225617_100011218213 [0,0,1,0,0,0|3,0,0]=4 1010 B7R0.7 C=CCN(C)CSC 269982a_100000225617_100011218213 [0,0,1,0,0,0|3,0,0]=4 1011 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,0,1,0,0,0|2,0,0]=3 1012 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,0,1,0,0,0|2,0,0]=3 1013 B7R0.7 C=CC[C@@H](C)OCF 34a_100000731007_100015361967 [0,0,1,0,0,0|3,0,0]=4 1014 B7R0.7 C=CC[C@@H](C)OCF 7a_100000731007_100015361967 [0,0,1,0,0,0|3,0,0]=4 1015 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [0,0,1,0,0,0|3,0,0]=4 1016 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [0,0,1,0,0,0|3,0,0]=4 1017 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [0,0,1,0,0,0|0,0,2]=3 1018 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [0,0,1,0,0,0|1,0,2]=4 1019 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [0,0,1,0,0,0|1,0,2]=4 1020 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [0,0,1,0,0,0|2,0,1]=4 1021 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,0,1,0,0,0|0,0,2]=3 1022 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,0,1,0,0,0|1,0,2]=4 1023 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,0,1,0,0,0|1,0,2]=4 1024 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,0,1,0,0,0|1,0,2]=4 1025 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,0,1,0,0,0|1,0,2]=4 1026 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,0,1,0,0,0|1,0,2]=4 1027 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,0,1,0,0,0|1,0,2]=4 1028 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,0,1,0,0,0|1,0,2]=4 1029 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [0,0,1,0,0,0|1,0,1]=3 1030 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [0,0,1,0,0,0|1,0,1]=3 1031 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,0,1,0,0,0|0,0,0]=1 1032 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,0,1,0,0,0|1,0,0]=2 1033 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,0,1,0,0,0|1,0,0]=2 1034 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,0,1,0,0,0|1,0,0]=2 1035 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,0,1,0,0,0|1,0,0]=2 1036 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,0,1,0,0,0|1,0,0]=2 1037 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,0,1,0,0,0|1,0,0]=2 1038 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,0,1,0,0,0|1,0,0]=2 1039 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,0,1,0,0,0|1,0,0]=2 1040 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,0,1,0,0,0|1,0,0]=2 1041 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,0,1,0,0,0|1,0,0]=2 1042 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,0,1,0,0,0|1,0,0]=2 1043 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,0,1,0,0,0|1,0,0]=2 1044 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,0,1,0,0,0|1,0,0]=2 1045 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,0,1,0,0,0|1,0,0]=2 1046 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,0,1,0,0,0|2,0,0]=3 1047 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,0,1,0,0,0|2,0,0]=3 1048 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,0,1,0,0,0|2,0,0]=3 1049 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,0,1,0,0,0|2,0,0]=3 1050 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,0,1,0,0,0|2,0,0]=3 1051 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,0,1,0,0,0|2,0,0]=3 1052 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,0,1,0,0,0|2,0,0]=3 1053 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,0,1,0,0,0|2,0,0]=3 1054 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,0,1,0,0,0|2,0,0]=3 1055 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,0,1,0,0,0|2,0,0]=3 1056 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,0,1,0,0,0|2,0,0]=3 1057 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,0,1,0,0,0|2,0,0]=3 1058 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,0,1,0,0,0|2,0,0]=3 1059 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,0,1,0,0,0|2,0,0]=3 1060 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,0,1,0,0,0|2,0,1]=4 1061 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,0,1,0,0,0|2,0,1]=4 1062 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,0,1,0,0,0|2,0,1]=4 1063 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,0,1,0,0,0|2,0,1]=4 1064 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,0,1,0,0,0|2,0,1]=4 1065 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,0,1,0,0,0|2,0,1]=4 1066 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,0,1,0,0,0|2,0,1]=4 1067 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,0,1,0,0,0|2,0,1]=4 1068 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,0,1,0,0,0|2,0,1]=4 1069 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,0,1,0,0,0|2,0,1]=4 1070 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [0,0,1,0,0,0|2,0,1]=4 1071 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [0,0,1,0,0,0|2,0,1]=4 1072 B7R0.7 CCCN(C)CC#N 2230a_100000747261_100011215382 [0,0,1,0,0,0|2,0,1]=4 1073 B7R0.7 CCCN(C)CC#N 2230a_100000748184_100000210303 [0,0,1,0,0,0|2,0,1]=4 1074 B7R0.7 CCCN(C)CC#N 269982a_100000747261_100011214920 [0,0,1,0,0,0|2,0,1]=4 1075 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,0,1,0,0,0|1,0,0]=2 1076 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,0,1,0,0,0|1,0,0]=2 1077 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [0,0,1,0,0,0|2,0,0]=3 1078 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [0,0,1,0,0,0|2,0,0]=3 1079 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [0,0,1,0,0,0|2,0,0]=3 1080 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [0,0,1,0,0,0|2,0,0]=3 1081 B7R0.7 CCCN(C)CCF 2230a_100000747261_100011217306 [0,0,1,0,0,0|2,0,1]=4 1082 B7R0.7 CCCN(C)CCF 269982a_100000747261_100011217306 [0,0,1,0,0,0|2,0,1]=4 1083 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [0,0,1,0,0,0|1,0,2]=4 1084 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [0,0,1,0,0,0|1,0,2]=4 1085 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [0,0,1,0,0,0|1,0,2]=4 1086 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [0,0,1,0,0,0|1,0,2]=4 1087 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [0,0,1,0,0,0|1,0,2]=4 1088 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [0,0,1,0,0,0|1,0,2]=4 1089 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [0,0,1,0,0,0|3,0,0]=4 1090 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [0,0,1,0,0,0|3,0,0]=4 1091 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [0,0,1,0,0,0|3,0,0]=4 1092 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [0,0,1,0,0,0|3,0,0]=4 1093 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [0,0,1,0,0,0|2,0,0]=3 1094 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [0,0,1,0,0,0|2,0,0]=3 1095 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [0,0,1,0,0,0|1,0,2]=4 1096 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [0,0,1,0,0,0|1,0,2]=4 1097 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,0,1,0,0,0|2,0,1]=4 1098 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,0,1,0,0,0|2,0,1]=4 1099 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [0,0,1,0,0,0|2,0,1]=4 1100 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,0,1,0,0,0|2,0,0]=3 1101 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,0,1,0,0,0|2,0,0]=3 1102 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,0,1,0,0,0|2,0,0]=3 1103 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,0,1,0,0,0|2,0,0]=3 1104 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,0,1,0,0,0|2,0,0]=3 1105 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,0,1,0,0,0|2,0,0]=3 1106 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,0,1,0,0,0|2,0,0]=3 1107 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,0,1,0,0,0|2,0,0]=3 1108 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,0,1,0,0,0|2,0,0]=3 1109 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,0,1,0,0,0|2,0,0]=3 1110 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,0,1,0,0,0|2,0,0]=3 1111 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,0,1,0,0,0|2,0,0]=3 1112 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,0,1,0,0,0|2,0,0]=3 1113 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,0,1,0,0,0|2,0,0]=3 1114 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,0,1,0,0,0|2,0,0]=3 1115 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,0,1,0,0,0|2,0,0]=3 1116 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,0,1,0,0,0|2,0,0]=3 1117 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,0,1,0,0,0|2,0,0]=3 1118 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,0,1,0,0,0|2,0,0]=3 1119 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,0,1,0,0,0|2,0,0]=3 1120 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,0,1,0,0,0|3,0,0]=4 1121 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,0,1,0,0,0|3,0,0]=4 1122 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,0,1,0,0,0|3,0,0]=4 1123 B7R0.7 CCNC(C)CC#N 2230a_100015525214_100009813641 [0,0,1,0,0,0|2,0,1]=4 1124 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,0,1,0,0,0|1,0,2]=4 1125 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,0,1,0,0,0|3,0,0]=4 1126 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,0,1,0,0,0|3,0,0]=4 1127 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,0,1,0,0,0|3,0,0]=4 1128 B7R0.7 CCN[C@@H](C)CC#N 2230a_100016994482_100000210202 [0,0,1,0,0,0|2,0,1]=4 1129 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,0,1,0,0,0|1,0,2]=4 1130 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,0,1,0,0,0|1,0,2]=4 1131 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,0,1,0,0,0|3,0,0]=4 1132 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,0,1,0,0,0|2,0,0]=3 1133 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,0,1,0,0,0|2,0,0]=3 1134 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,0,1,0,0,0|2,0,0]=3 1135 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,0,1,0,0,0|2,0,0]=3 1136 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,0,1,0,0,0|2,0,0]=3 1137 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,0,1,0,0,0|2,0,0]=3 1138 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,0,1,0,0,0|2,0,0]=3 1139 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,0,1,0,0,0|2,0,0]=3 1140 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,0,1,0,0,0|2,0,1]=4 1141 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,0,1,0,0,0|1,0,2]=4 1142 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,0,1,0,0,0|3,0,0]=4 1143 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,0,1,0,0,0|3,0,0]=4 1144 B7R0.7 CCSC(C)CC#N 62a_100000210202_100009813641 [0,0,1,0,0,0|2,0,1]=4 1145 B7R0.7 CCSC(C)CC#N 62a_100009813641_100000210202 [0,0,1,0,0,0|2,0,1]=4 1146 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,0,1,0,0,0|1,0,2]=4 1147 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,0,1,0,0,0|1,0,2]=4 1148 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,0,1,0,0,0|3,0,0]=4 1149 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,0,1,0,0,0|3,0,0]=4 1150 B7R0.7 CN(CC#N)CC=O 2230a_100000748184_200015260668 [0,0,1,0,0,0|2,0,1]=4 1151 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [0,0,1,0,0,0|2,0,0]=3 1152 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [0,0,1,0,0,0|2,0,0]=3 1153 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,0,1,0,0,0|3,0,0]=4 1154 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,0,1,0,0,0|3,0,0]=4 1155 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,0,1,0,0,0|3,0,0]=4 1156 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,0,1,0,0,0|3,0,0]=4 1157 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,0,1,0,0,0|3,0,0]=4 1158 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [0,0,1,0,0,0|3,0,0]=4 1159 B7R0.7 COCC(=O)CC#N 1458a_100000210968_100011214920 [0,0,1,0,0,0|2,0,1]=4 1160 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,0,1,0,0,0|2,0,0]=3 1161 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,0,1,0,0,0|2,0,0]=3 1162 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,0,1,0,0,0|3,0,0]=4 1163 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [0,0,1,0,0,0|2,0,1]=4 1164 B7R0.7 CSCC(=O)CC#N 1458a_100000184570_100011214920 [0,0,1,0,0,0|2,0,1]=4 1165 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [0,0,1,0,0,0|2,0,0]=3 1166 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,0,1,0,0,0|2,0,0]=3 1167 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [0,0,1,0,0,0|3,0,0]=4 1168 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [0,0,1,0,0,0|3,0,0]=4 1169 B7R0.7 N#CCC(=O)CCF 1458a_100051588842_100011217306 [0,0,1,0,0,0|2,0,1]=4 1170 B7R0.7 N#CCC(=O)CCO 1458a_100011216618_100011214920 [0,0,1,0,0,0|2,0,1]=4 1171 B7R0.7 N#CCC(=O)CCO 1458a_100051588842_100000211926 [0,0,1,0,0,0|2,0,1]=4 1172 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [0,0,1,0,0,0|2,0,0]=3 1173 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [0,0,1,0,0,0|2,0,0]=3 1174 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [0,0,1,0,0,0|3,0,0]=4 1175 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [0,0,1,0,0,0|3,0,0]=4 1176 B9R2.39 CN1CC2CCC1C2 2230a_100000743476_200000210301 [0,0,0,1,0,0|2,0,0]=3 1177 B9R2.39 CN1CC2CCC1C2 269982a_100000743476_200000210301 [0,0,0,1,0,0|2,0,0]=3 1178 B9R2.39 CN1CC2CCC1C2 34a_100000743476_200000210301 [0,0,0,1,0,0|2,0,0]=3 1179 B9R2.39 CN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_200000210301 [0,0,0,1,0,0|3,0,0]=4 1180 B9R2.39 CN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_200000210301 [0,0,0,1,0,0|3,0,0]=4 1181 B9R2.39 CN1C[C@H]2C[C@@H]1CO2 34a_100016995552_200000210301 [0,0,0,1,0,0|3,0,0]=4 1182 B9R2.39 [13CH3]N1CC2CCC1C2 2230a_100000743476_200025704644 [0,0,0,1,0,0|2,0,0]=3 1183 B9R2.39 [13CH3]N1CC2CCC1C2 269982a_100000743476_200025704644 [0,0,0,1,0,0|2,0,0]=3 1184 B9R2.39 [13CH3]N1CC2CCC1C2 34a_100000743476_200025704644 [0,0,0,1,0,0|2,0,0]=3 1185 B9R2.39 [13CH3]N1C[C@H]2C[C@@H]1CO2 2230a_100016995552_200025704644 [0,0,0,1,0,0|3,0,0]=4 1186 B9R2.39 [13CH3]N1C[C@H]2C[C@@H]1CO2 269982a_100016995552_200025704644 [0,0,0,1,0,0|3,0,0]=4 1187 B9R2.39 [13CH3]N1C[C@H]2C[C@@H]1CO2 34a_100016995552_200025704644 [0,0,0,1,0,0|3,0,0]=4 1188 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [0,0,0,0,1,0|1,0,2]=4 1189 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [0,0,0,0,1,0|1,0,2]=4 1190 B7R1.2 CN1CC[C@@H](C1)F 2230a_100015203821_200000210301 [0,0,0,0,1,0|2,0,1]=4 1191 B7R1.2 CN1CC[C@@H](C1)F 269982a_100015203821_200000210301 [0,0,0,0,1,0|2,0,1]=4 1192 B7R1.2 CN1CC[C@@H](C1)F 34a_100015203821_200000210301 [0,0,0,0,1,0|2,0,1]=4 1193 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,0,0,0,1,0|2,0,0]=3 1194 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,0,0,0,1,0|2,0,0]=3 1195 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,0,0,0,1,0|2,0,0]=3 1196 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,0,0,0,1,0|2,0,0]=3 1197 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,0,0,0,1,0|2,0,0]=3 1198 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,0,0,0,1,0|2,0,0]=3 1199 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,0,0,0,1,0|2,0,0]=3 1200 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [0,0,0,0,1,0|1,0,2]=4 1201 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [0,0,0,0,1,0|1,0,2]=4 1202 B7R1.2 [13CH3]N1CC[C@@H](C1)F 2230a_100015203821_200025704644 [0,0,0,0,1,0|2,0,1]=4 1203 B7R1.2 [13CH3]N1CC[C@@H](C1)F 269982a_100015203821_200025704644 [0,0,0,0,1,0|2,0,1]=4 1204 B7R1.2 [13CH3]N1CC[C@@H](C1)F 34a_100015203821_200025704644 [0,0,0,0,1,0|2,0,1]=4 1205 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,0,0,0,1,0|2,0,0]=3 1206 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [0,0,0,0,1,0|3,0,0]=4 1207 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [0,0,0,0,1,0|3,0,0]=4 1208 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [0,0,0,0,1,0|3,0,0]=4 1209 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [0,0,0,0,1,0|3,0,0]=4 1210 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [0,0,0,0,1,0|3,0,0]=4 1211 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [0,0,0,0,1,0|3,0,0]=4 1212 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,0,0,0,1,0|2,0,0]=3 1213 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,0,0,0,1,0|2,0,0]=3 1214 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,0,0,0,1,0|2,0,0]=3 1215 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,0,0,0,1,0|2,0,0]=3 1216 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,0,0,0,1,0|2,0,0]=3 1217 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,0,0,0,1,0|2,0,0]=3 1218 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,0,0,0,1,0|2,0,0]=3 1219 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,0,0,0,1,0|2,0,0]=3 1220 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,0,0,0,1,0|2,0,0]=3 1221 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,0,0,0,1,0|2,0,0]=3 1222 B9R1.48 CN1CCCCC(C1)O 2230a_100025706797_200000210301 [0,0,0,0,0,1|1,0,2]=4 1223 B9R1.48 CN1CCCCC(C1)O 269982a_100025706797_200000210301 [0,0,0,0,0,1|1,0,2]=4 1224 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,0,0,0,0,1|1,0,0]=2 1225 B9R1.48 CN1CCOC[C@@H](C1)O 2230a_100016073750_200000210301 [0,0,0,0,0,1|1,0,2]=4 1226 B9R1.48 CN1CCOC[C@@H](C1)O 269982a_100016073750_200000210301 [0,0,0,0,0,1|1,0,2]=4 1227 B9R1.48 [13CH3]N1CCCCC(C1)O 2230a_100025706797_200025704644 [0,0,0,0,0,1|1,0,2]=4 1228 B9R1.48 [13CH3]N1CCCCC(C1)O 269982a_100025706797_200025704644 [0,0,0,0,0,1|1,0,2]=4 1229 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,0,0,0,0,1|1,0,0]=2 1230 B9R1.48 [13CH3]N1CCOC[C@@H](C1)O 2230a_100016073750_200025704644 [0,0,0,0,0,1|1,0,2]=4 1231 B9R1.48 [13CH3]N1CCOC[C@@H](C1)O 269982a_100016073750_200025704644 [0,0,0,0,0,1|1,0,2]=4 1232 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [0,0,0,0,0,1|2,0,0]=3 1233 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [0,0,0,0,0,1|2,0,0]=3 1234 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [0,0,0,0,0,1|2,0,0]=3 1235 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [0,0,0,0,0,1|2,0,0]=3 1236 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [0,0,0,0,0,1|2,0,0]=3 1237 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [0,0,0,0,0,1|2,0,0]=3 1238 B9R1.49 CN1CCCC(CC1)O 2230a_100015186869_200000210301 [0,0,0,0,0,1|1,0,2]=4 1239 B9R1.49 CN1CCCC(CC1)O 269982a_100015186869_200000210301 [0,0,0,0,0,1|1,0,2]=4 1240 B9R1.49 CN1CCCN(CC1)C 2230a_100000211313_200000210301 [0,0,0,0,0,1|3,0,0]=4 1241 B9R1.49 CN1CCCN(CC1)C 269982a_100000211313_200000210301 [0,0,0,0,0,1|3,0,0]=4 1242 B9R1.49 CN1CCCN(CC1)[13CH3] 2230a_100000211313_200025704644 [0,0,0,0,0,1|3,0,0]=4 1243 B9R1.49 CN1CCCN(CC1)[13CH3] 269982a_100000211313_200025704644 [0,0,0,0,0,1|3,0,0]=4 1244 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,0,0,0,1|2,0,0]=3 1245 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,0,0,0,1|2,0,0]=3 1246 B9R1.49 [13CH3]N1CCCC(CC1)O 2230a_100015186869_200025704644 [0,0,0,0,0,1|1,0,2]=4 1247 B9R1.49 [13CH3]N1CCCC(CC1)O 269982a_100015186869_200025704644 [0,0,0,0,0,1|1,0,2]=4 1248 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,0,0,0,1|2,0,0]=3 1249 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,0,0,0,1|2,0,0]=3 1250 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,0,1,0,0,0|0,0,2]=4 1251 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [1,0,1,0,0,0|0,0,2]=4 1252 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [1,0,1,0,0,0|0,0,2]=4 1253 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [1,0,1,0,0,0|1,0,1]=4 1254 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [1,0,1,0,0,0|1,0,1]=4 1255 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,1,0,0,0|0,0,2]=4 1256 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [1,0,1,0,0,0|1,0,1]=4 1257 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [1,0,1,0,0,0|1,0,1]=4 1258 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [1,0,1,0,0,0|1,0,1]=4 1259 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [1,0,1,0,0,0|1,0,1]=4 1260 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [1,0,1,0,0,0|1,0,1]=4 1261 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [1,0,1,0,0,0|1,0,1]=4 1262 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,0,1,0,0,0|0,0,2]=4 1263 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,0,1,0,0,0|0,0,2]=4 1264 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [1,0,1,0,0,0|1,0,1]=4 1265 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [1,0,1,0,0,0|1,0,1]=4 1266 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [1,0,1,0,0,0|1,0,1]=4 1267 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [1,0,1,0,0,0|1,0,1]=4 1268 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [1,0,1,0,0,0|1,0,1]=4 1269 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [1,0,1,0,0,0|1,0,1]=4 1270 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [1,0,1,0,0,0|1,0,1]=4 1271 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [1,0,1,0,0,0|1,0,1]=4 1272 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,0,1,0,0,0|0,0,2]=4 1273 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [1,0,1,0,0,0|2,0,0]=4 1274 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [1,0,1,0,0,0|1,0,1]=4 1275 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,1,0,0,0|0,0,2]=4 1276 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [1,0,1,0,0,0|1,0,1]=4 1277 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [1,0,1,0,0,0|1,0,1]=4 1278 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,0,1,0,0,0|1,0,0]=3 1279 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,0,1,0,0,0|1,0,0]=3 1280 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,0,1,0,0,0|1,0,0]=3 1281 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,0,1,0,0,0|1,0,0]=3 1282 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,0,1,0,0,0|1,0,0]=3 1283 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,0,1,0,0,0|1,0,0]=3 1284 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,0,1,0,0,0|1,0,0]=3 1285 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,0,1,0,0,0|1,0,0]=3 1286 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,0,1,0,0,0|1,0,0]=3 1287 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,0,1,0,0,0|1,0,0]=3 1288 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,0,1,0,0,0|1,0,0]=3 1289 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,0,1,0,0,0|1,0,0]=3 1290 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,0,1,0,0,0|2,0,0]=4 1291 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,0,1,0,0,0|1,0,0]=3 1292 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,0,1,0,0,0|1,0,0]=3 1293 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,0,1,0,0,0|1,0,0]=3 1294 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,0,1,0,0,0|1,0,0]=3 1295 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,0,1,0,0,0|1,0,0]=3 1296 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,0,1,0,0,0|1,0,0]=3 1297 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,0,1,0,0,0|1,0,0]=3 1298 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,0,1,0,0,0|1,0,0]=3 1299 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,0,1,0,0,0|1,0,0]=3 1300 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,0,1,0,0,0|1,0,0]=3 1301 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,0,1,0,0,0|1,0,0]=3 1302 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [1,0,1,0,0,0|2,0,0]=4 1303 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [1,0,1,0,0,0|2,0,0]=4 1304 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [1,0,1,0,0,0|2,0,0]=4 1305 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [1,0,1,0,0,0|2,0,0]=4 1306 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [1,0,1,0,0,0|2,0,0]=4 1307 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [1,0,1,0,0,0|2,0,0]=4 1308 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [1,0,1,0,0,0|2,0,0]=4 1309 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [1,0,1,0,0,0|2,0,0]=4 1310 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [1,0,1,0,0,0|2,0,0]=4 1311 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [1,0,1,0,0,0|2,0,0]=4 1312 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,1,0,0,0|0,0,0]=2 1313 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,1,0,0,0|0,0,0]=2 1314 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,0,1,0,0,0|1,0,0]=3 1315 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,1,0,0,0|1,0,0]=3 1316 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,0,1,0,0,0|1,0,0]=3 1317 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,0,1,0,0,0|1,0,0]=3 1318 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,0,1,0,0,0|1,0,0]=3 1319 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,0,1,0,0,0|1,0,0]=3 1320 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,0,1,0,0,0|1,0,1]=4 1321 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,0,1,0,0,0|1,0,1]=4 1322 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,0,1,0,0,0|1,0,1]=4 1323 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,0,1,0,0,0|1,0,1]=4 1324 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,0,1,0,0,0|1,0,1]=4 1325 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,0,1,0,0,0|1,0,1]=4 1326 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,0,1,0,0,0|1,0,1]=4 1327 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,0,1,0,0,0|1,0,1]=4 1328 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,0,1,0,0,0|1,0,1]=4 1329 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,0,1,0,0,0|1,0,1]=4 1330 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,0,1,0,0,0|1,0,1]=4 1331 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,0,1,0,0,0|1,0,1]=4 1332 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,0,1,0,0,0|1,0,1]=4 1333 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,0,1,0,0,0|1,0,1]=4 1334 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,0,1,0,0,0|1,0,1]=4 1335 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,0,1,0,0,0|1,0,1]=4 1336 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,0,1,0,0,0|1,0,1]=4 1337 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,0,1,0,0,0|1,0,1]=4 1338 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,0,1,0,0,0|1,0,1]=4 1339 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,0,1,0,0,0|1,0,1]=4 1340 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,0,1,0,0,0|1,0,1]=4 1341 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [1,0,1,0,0,0|2,0,0]=4 1342 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,0,1,0,0,0|1,0,1]=4 1343 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,0,1,0,0,0|1,0,1]=4 1344 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [1,0,1,0,0,0|1,0,0]=3 1345 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [1,0,1,0,0,0|1,0,0]=3 1346 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [1,0,1,0,0,0|2,0,0]=4 1347 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [1,0,1,0,0,0|2,0,0]=4 1348 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [1,0,1,0,0,0|2,0,0]=4 1349 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [1,0,1,0,0,0|2,0,0]=4 1350 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,1,0,0,0|1,0,0]=3 1351 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,1,0,0,0|1,0,0]=3 1352 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,1,0,0,0|1,0,0]=3 1353 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,0,1,0,0,0|2,0,0]=4 1354 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,0,1,0,0,0|2,0,0]=4 1355 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,0,1,0,0,0|2,0,0]=4 1356 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,0,1,0,0,0|2,0,0]=4 1357 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,0,1,0,0,0|2,0,0]=4 1358 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,0,1,0,0,0|2,0,0]=4 1359 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,0,1,0,0,0|2,0,0]=4 1360 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,0,1,0,0,0|2,0,0]=4 1361 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,0,1,0,0,0|1,0,1]=4 1362 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,0,1,0,0,0|1,0,1]=4 1363 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [1,0,1,0,0,0|1,0,1]=4 1364 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [1,0,1,0,0,0|1,0,1]=4 1365 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,0,1,0,0,0|1,0,1]=4 1366 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,0,1,0,0,0|1,0,1]=4 1367 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,0,1,0,0,0|2,0,0]=4 1368 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,0,1,0,0,0|2,0,0]=4 1369 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,0,1,0,0,0|2,0,0]=4 1370 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,0,1,0,0,0|1,0,1]=4 1371 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,0,1,0,0,0|1,0,1]=4 1372 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,0,1,0,0,0|1,0,1]=4 1373 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,0,1,0,0,0|1,0,1]=4 1374 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,0,1,0,0,0|1,0,1]=4 1375 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,0,1,0,0,0|1,0,1]=4 1376 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,0,1,0,0,0|1,0,0]=3 1377 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,0,1,0,0,0|1,0,0]=3 1378 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,0,1,0,0,0|1,0,0]=3 1379 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,0,1,0,0,0|1,0,0]=3 1380 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,0,1,0,0,0|1,0,0]=3 1381 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,0,1,0,0,0|1,0,0]=3 1382 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,0,1,0,0,0|1,0,0]=3 1383 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,0,1,0,0,0|1,0,0]=3 1384 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,0,1,0,0,0|1,0,0]=3 1385 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,0,1,0,0,0|1,0,0]=3 1386 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,0,1,0,0,0|2,0,0]=4 1387 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,0,1,0,0,0|2,0,0]=4 1388 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,0,1,0,0,0|2,0,0]=4 1389 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,0,1,0,0,0|2,0,0]=4 1390 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,0,1,0,0,0|2,0,0]=4 1391 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,0,1,0,0,0|2,0,0]=4 1392 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,0,1,0,0,0|2,0,0]=4 1393 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,0,1,0,0,0|2,0,0]=4 1394 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,0,1,0,0,0|2,0,0]=4 1395 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,0,1,0,0,0|2,0,0]=4 1396 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,0,1,0,0,0|2,0,0]=4 1397 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,0,1,0,0,0|2,0,0]=4 1398 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,0,1,0,0,0|2,0,0]=4 1399 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,0,1,0,0,0|2,0,0]=4 1400 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,0,1,0,0,0|2,0,0]=4 1401 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,0,1,0,0,0|2,0,0]=4 1402 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,0,1,0,0,0|2,0,0]=4 1403 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [1,0,1,0,0,0|2,0,0]=4 1404 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [1,0,1,0,0,0|2,0,0]=4 1405 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [1,0,1,0,0,0|2,0,0]=4 1406 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [1,0,1,0,0,0|2,0,0]=4 1407 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [1,0,1,0,0,0|2,0,0]=4 1408 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,0,1,0,0,0|2,0,0]=4 1409 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,0,1,0,0,0|2,0,0]=4 1410 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,0,1,0,0,0|2,0,0]=4 1411 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,0,1,0,0,0|2,0,0]=4 1412 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,0,1,0,0,0|2,0,0]=4 1413 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,0,1,0,0,0|2,0,0]=4 1414 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,0,1,0,0,0|2,0,0]=4 1415 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [1,0,1,0,0,0|1,0,1]=4 1416 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [1,0,1,0,0,0|1,0,1]=4 1417 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [1,0,1,0,0,0|1,0,1]=4 1418 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [1,0,1,0,0,0|1,0,1]=4 1419 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [1,0,1,0,0,0|2,0,0]=4 1420 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [1,0,1,0,0,0|2,0,0]=4 1421 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,0,1,0,0,0|2,0,0]=4 1422 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,0,1,0,0,0|2,0,0]=4 1423 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,0,1,0,0,0|2,0,0]=4 1424 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,0,1,0,0,0|2,0,0]=4 1425 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [1,0,1,0,0,0|2,0,0]=4 1426 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,0,1,0,0,0|2,0,0]=4 1427 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,0,1,0,0,0|2,0,0]=4 1428 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [1,0,1,0,0,0|2,0,0]=4 1429 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [1,0,1,0,0,0|2,0,0]=4 1430 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [1,0,1,0,0,0|2,0,0]=4 1431 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [1,0,1,0,0,0|2,0,0]=4 1432 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [1,0,1,0,0,0|2,0,0]=4 1433 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [1,0,1,0,0,0|2,0,0]=4 1434 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [1,0,1,0,0,0|2,0,0]=4 1435 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [1,0,1,0,0,0|1,0,1]=4 1436 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [1,0,1,0,0,0|2,0,0]=4 1437 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [1,0,1,0,0,0|2,0,0]=4 1438 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [1,0,1,0,0,0|2,0,0]=4 1439 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [1,0,1,0,0,0|2,0,0]=4 1440 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,0,1,0,0,0|2,0,0]=4 1441 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,0,1,0,0,0|1,0,1]=4 1442 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,0,1,0,0,0|1,0,1]=4 1443 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,0,1,0,0,0|1,0,1]=4 1444 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,0,1,0,0,0|1,0,1]=4 1445 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,0,1,0,0,0|2,0,0]=4 1446 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,0,1,0,0,0|2,0,0]=4 1447 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,0,1,0,0,0|2,0,0]=4 1448 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,0,1,0,0,0|0,0,2]=4 1449 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [1,0,1,0,0,0|2,0,0]=4 1450 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [1,0,1,0,0,0|2,0,0]=4 1451 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [1,0,1,0,0,0|2,0,0]=4 1452 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [1,0,1,0,0,0|2,0,0]=4 1453 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [1,0,1,0,0,0|2,0,0]=4 1454 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [1,0,1,0,0,0|2,0,0]=4 1455 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,0,1,0,0,0|0,0,2]=4 1456 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,0,1,0,0,0|0,0,2]=4 1457 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,0,1,0,0,0|0,0,0]=2 1458 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,0,1,0,0,0|0,0,0]=2 1459 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,0,1,0,0,0|1,0,0]=3 1460 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [1,0,1,0,0,0|2,0,0]=4 1461 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,0,1,0,0,0|1,0,0]=3 1462 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,0,1,0,0,0|1,0,0]=3 1463 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,0,1,0,0,0|1,0,0]=3 1464 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,0,1,0,0,0|1,0,0]=3 1465 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,0,1,0,0,0|1,0,0]=3 1466 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,0,1,0,0,0|1,0,0]=3 1467 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,0,1,0,0,0|1,0,0]=3 1468 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,0,1,0,0,0|0,0,0]=2 1469 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [1,0,1,0,0,0|2,0,0]=4 1470 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [1,0,1,0,0,0|2,0,0]=4 1471 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [1,0,1,0,0,0|2,0,0]=4 1472 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [1,0,1,0,0,0|2,0,0]=4 1473 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [1,0,1,0,0,0|2,0,0]=4 1474 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [1,0,1,0,0,0|2,0,0]=4 1475 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [1,0,1,0,0,0|2,0,0]=4 1476 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [1,0,1,0,0,0|2,0,0]=4 1477 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [1,0,1,0,0,0|2,0,0]=4 1478 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [1,0,1,0,0,0|2,0,0]=4 1479 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,0,1,0,0,0|2,0,0]=4 1480 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,0,1,0,0,0|1,0,0]=3 1481 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [1,0,1,0,0,0|2,0,0]=4 1482 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [1,0,1,0,0,0|2,0,0]=4 1483 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,0,1,0,0,0|2,0,0]=4 1484 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,0,1,0,0,0|1,0,0]=3 1485 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,0,1,0,0,0|1,0,0]=3 1486 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,0,1,0,0,0|0,0,2]=4 1487 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,0,1,0,0,0|0,0,2]=4 1488 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,0,1,0,0,0|0,0,2]=4 1489 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,1,0,0,0|0,0,2]=4 1490 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [1,0,1,0,0,0|1,0,1]=4 1491 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,0,1,0,0,0|2,0,0]=4 1492 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,0,1,0,0,0|2,0,0]=4 1493 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,0,1,0,0,0|2,0,0]=4 1494 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,0,1,0,0,0|2,0,0]=4 1495 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,0,1,0,0,0|2,0,0]=4 1496 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,0,1,0,0,0|2,0,0]=4 1497 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,0,1,0,0,0|2,0,0]=4 1498 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,0,1,0,0,0|2,0,0]=4 1499 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,0,1,0,0,0|2,0,0]=4 1500 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,0,1,0,0,0|2,0,0]=4 1501 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,0,1,0,0,0|2,0,0]=4 1502 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,0,1,0,0,0|2,0,0]=4 1503 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,0,1,0,0,0|2,0,0]=4 1504 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,0,1,0,0,0|2,0,0]=4 1505 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,0,1,0,0,0|2,0,0]=4 1506 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,1,0,0,0|0,0,2]=4 1507 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,1,0,0,0|0,0,2]=4 1508 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,1,0,0,0|0,0,2]=4 1509 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [1,0,1,0,0,0|1,0,1]=4 1510 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [1,0,1,0,0,0|1,0,1]=4 1511 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [1,0,1,0,0,0|1,0,1]=4 1512 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [1,0,1,0,0,0|1,0,1]=4 1513 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [1,0,1,0,0,0|1,0,1]=4 1514 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [1,0,1,0,0,0|1,0,1]=4 1515 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [1,0,1,0,0,0|1,0,1]=4 1516 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [1,0,1,0,0,0|1,0,1]=4 1517 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [1,0,1,0,0,0|1,0,1]=4 1518 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [1,0,1,0,0,0|1,0,1]=4 1519 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [1,0,1,0,0,0|1,0,1]=4 1520 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [1,0,1,0,0,0|1,0,1]=4 1521 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [1,0,1,0,0,0|1,0,1]=4 1522 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,0,1,0,0,0|0,0,2]=4 1523 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,0,1,0,0,0|1,0,1]=4 1524 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,0,1,0,0,0|1,0,1]=4 1525 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,1,0,0,0|1,0,0]=3 1526 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,1,0,0,0|1,0,0]=3 1527 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,1,0,0,0|1,0,0]=3 1528 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,1,0,0,0|1,0,0]=3 1529 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,1,0,0,0|1,0,0]=3 1530 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,1,0,0,0|1,0,0]=3 1531 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,0,1,0,0,0|2,0,0]=4 1532 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,1,0,0,0|2,0,0]=4 1533 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,1,0,0,0|2,0,0]=4 1534 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,1,0,0,0|2,0,0]=4 1535 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,1,0,0,0|2,0,0]=4 1536 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,1,0,0,0|2,0,0]=4 1537 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,1,0,0,0|2,0,0]=4 1538 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,1,0,0,0|2,0,0]=4 1539 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,1,0,0,0|2,0,0]=4 1540 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,0,1,0,0,0|1,0,1]=4 1541 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,0,1,0,0,0|1,0,1]=4 1542 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,0,1,0,0,0|1,0,1]=4 1543 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,0,1,0,0,0|1,0,1]=4 1544 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [1,0,1,0,0,0|2,0,0]=4 1545 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [1,0,1,0,0,0|2,0,0]=4 1546 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [1,0,1,0,0,0|2,0,0]=4 1547 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [1,0,1,0,0,0|2,0,0]=4 1548 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,0,1,0,0,0|1,0,0]=3 1549 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,0,1,0,0,0|1,0,0]=3 1550 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [1,0,1,0,0,0|2,0,0]=4 1551 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [1,0,1,0,0,0|2,0,0]=4 1552 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [1,0,1,0,0,0|2,0,0]=4 1553 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,0,1,0,0,0|1,0,1]=4 1554 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,0,1,0,0,0|1,0,1]=4 1555 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,0,1,0,0,0|1,0,1]=4 1556 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,0,1,0,0,0|1,0,1]=4 1557 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,0,1,0,0,0|1,0,0]=3 1558 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [1,0,1,0,0,0|2,0,0]=4 1559 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [1,0,1,0,0,0|2,0,0]=4 1560 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [1,0,1,0,0,0|2,0,0]=4 1561 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,0,1,0,0,0|1,0,1]=4 1562 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,0,1,0,0,0|1,0,0]=3 1563 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,0,1,0,0,0|1,0,0]=3 1564 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [1,0,1,0,0,0|2,0,0]=4 1565 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [1,0,1,0,0,0|2,0,0]=4 1566 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,0,1,0,0,0|1,0,1]=4 1567 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,0,1,0,0,0|1,0,1]=4 1568 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,1,0,0,0|0,0,2]=4 1569 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,1,0,0,0|0,0,2]=4 1570 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,1,0,0,0|0,0,2]=4 1571 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [1,0,1,0,0,0|1,0,1]=4 1572 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,0,1,0,0,0|0,0,2]=4 1573 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,0,1,0,0,0|0,0,2]=4 1574 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,1,0,0,0|0,0,2]=4 1575 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,1,0,0,0|0,0,2]=4 1576 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,1,0,0,0|0,0,0]=2 1577 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,1,0,0,0|0,0,0]=2 1578 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,1,0,0,0|0,0,0]=2 1579 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,0,1,0,0,0|1,0,1]=4 1580 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,0,1,0,0,0|1,0,1]=4 1581 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,0,1,0,0,0|1,0,1]=4 1582 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,0,1,0,0,0|1,0,1]=4 1583 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,0,1,0,0,0|1,0,1]=4 1584 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,0,1,0,0,0|1,0,1]=4 1585 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,1,0,0,0|1,0,0]=3 1586 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,1,0,0,0|1,0,0]=3 1587 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,1,0,0,0|1,0,0]=3 1588 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,1,0,0,0|1,0,0]=3 1589 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,0,1,0,0,0|1,0,1]=4 1590 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,0,1,0,0,0|1,0,1]=4 1591 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,0,1,0,0,0|1,0,1]=4 1592 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,0,1,0,0,0|1,0,1]=4 1593 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,0,1,0,0,0|1,0,1]=4 1594 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,0,1,0,0,0|1,0,1]=4 1595 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,1,0,0,0|2,0,0]=4 1596 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,1,0,0,0|2,0,0]=4 1597 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,1,0,0,0|2,0,0]=4 1598 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,0,1,0,0,0|1,0,0]=3 1599 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,0,1,0,0,0|1,0,0]=3 1600 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,0,1,0,0,0|1,0,0]=3 1601 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,0,1,0,0,0|1,0,0]=3 1602 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,0,1,0,0,0|2,0,0]=4 1603 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,0,1,0,0,0|2,0,0]=4 1604 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,0,1,0,0,0|2,0,0]=4 1605 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,0,1,0,0,0|2,0,0]=4 1606 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,1,0,0,0|2,0,0]=4 1607 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,1,0,0,0|1,0,0]=3 1608 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,1,0,0,0|1,0,0]=3 1609 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,1,0,0,0|2,0,0]=4 1610 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,1,0,0,0|1,0,0]=3 1611 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,1,0,0,0|2,0,0]=4 1612 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,0,1,0,0,0|2,0,0]=4 1613 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,0,1,0,0,0|1,0,0]=3 1614 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,0,1,0,0,0|1,0,0]=3 1615 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,0,1,0,0,0|2,0,0]=4 1616 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,0,1,0,0,0|2,0,0]=4 1617 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,0,1,0,0,0|2,0,0]=4 1618 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,0,1,0,0,0|2,0,0]=4 1619 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,0,1,0,0,0|2,0,0]=4 1620 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,0,1,0,0,0|2,0,0]=4 1621 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,1,0,0,0|1,0,0]=3 1622 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,1,0,0,0|2,0,0]=4 1623 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,1,0,0,0|2,0,0]=4 1624 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,1,0,0,0|1,0,0]=3 1625 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,1,0,0,0|2,0,0]=4 1626 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,1,0,0,0|2,0,0]=4 1627 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,0,1,0,0,0|1,0,0]=3 1628 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,0,1,0,0,0|1,0,0]=3 1629 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,0,1,0,0,0|2,0,0]=4 1630 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,0,1,0,0,0|2,0,0]=4 1631 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,0,1,0,0,0|2,0,0]=4 1632 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,0,1,0,0,0|2,0,0]=4 1633 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [1,0,1,0,0,0|2,0,0]=4 1634 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [1,0,1,0,0,0|2,0,0]=4 1635 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,0,1,0,0,0|1,0,1]=4 1636 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,0,1,0,0,0|1,0,1]=4 1637 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,0,1,0,0,0|1,0,1]=4 1638 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,0,1,0,0,0|1,0,1]=4 1639 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,0,1,0,0,0|1,0,1]=4 1640 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,0,1,0,0,0|1,0,1]=4 1641 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,1,0,0,0|1,0,0]=3 1642 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,1,0,0,0|2,0,0]=4 1643 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,1,0,0,0|2,0,0]=4 1644 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,1,0,0,0|2,0,0]=4 1645 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,0,1,0,0,0|1,0,1]=4 1646 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,0,1,0,0,0|1,0,1]=4 1647 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,0,1,0,0,0|1,0,1]=4 1648 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,0,1,0,0,0|1,0,1]=4 1649 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,1,0,0,0|2,0,0]=4 1650 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,1,0,0,0|1,0,0]=3 1651 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,1,0,0,0|1,0,0]=3 1652 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,1,0,0,0|1,0,0]=3 1653 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,1,0,0,0|1,0,0]=3 1654 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,1,0,0,0|2,0,0]=4 1655 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,1,0,0,0|2,0,0]=4 1656 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,1,0,0,0|2,0,0]=4 1657 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,1,0,0,0|1,0,0]=3 1658 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,0,1,0,0,0|1,0,1]=4 1659 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,0,1,0,0,0|1,0,1]=4 1660 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,0,1,0,0,0|1,0,1]=4 1661 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,1,0,0,0|2,0,0]=4 1662 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,1,0,0,0|1,0,0]=3 1663 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,1,0,0,0|1,0,0]=3 1664 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,1,0,0,0|1,0,0]=3 1665 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,1,0,0,0|1,0,0]=3 1666 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,1,0,0,0|2,0,0]=4 1667 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,1,0,0,0|2,0,0]=4 1668 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,1,0,0,0|1,0,0]=3 1669 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,0,1,0,0,0|1,0,1]=4 1670 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,0,1,0,0,0|1,0,1]=4 1671 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,1,0,0,0|2,0,0]=4 1672 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,1,0,0,0|2,0,0]=4 1673 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,0,1,0,0,0|1,0,1]=4 1674 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,1,0,0,0|2,0,0]=4 1675 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,1,0,0,0|2,0,0]=4 1676 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,1,0,0,0|2,0,0]=4 1677 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,1,0,0,0|2,0,0]=4 1678 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,0,1,0,0,0|1,0,1]=4 1679 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,0,1,0,0,0|1,0,1]=4 1680 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,0,1,0,0,0|1,0,1]=4 1681 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,0,1,0,0,0|1,0,1]=4 1682 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,0,1,0,0,0|1,0,1]=4 1683 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,0,1,0,0,0|1,0,1]=4 1684 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [1,0,1,0,0,0|1,0,1]=4 1685 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [1,0,1,0,0,0|1,0,1]=4 1686 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [1,0,1,0,0,0|1,0,1]=4 1687 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [1,0,1,0,0,0|1,0,1]=4 1688 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [1,0,1,0,0,0|1,0,1]=4 1689 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [1,0,1,0,0,0|1,0,1]=4 1690 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [1,0,1,0,0,0|1,0,1]=4 1691 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,0,1,0,0,0|1,0,1]=4 1692 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,0,1,0,0,0|1,0,1]=4 1693 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,0,1,0,0,0|1,0,1]=4 1694 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,0,1,0,0,0|1,0,1]=4 1695 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,0,1,0,0,0|1,0,1]=4 1696 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,0,1,0,0,0|1,0,1]=4 1697 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,0,1,0,0,0|1,0,1]=4 1698 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,0,1,0,0,0|1,0,1]=4 1699 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,0,1,0,0,0|1,0,1]=4 1700 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [1,0,1,0,0,0|1,0,1]=4 1701 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [1,0,1,0,0,0|1,0,1]=4 1702 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,1,0,0,0|1,0,1]=4 1703 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,1,0,0,0|1,0,1]=4 1704 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,0,1,0,0,0|1,0,1]=4 1705 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,0,1,0,0,0|1,0,1]=4 1706 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,0,1,0,0,0|1,0,1]=4 1707 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,0,1,0,0,0|1,0,1]=4 1708 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,0,1,0,0,0|1,0,1]=4 1709 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,0,1,0,0,0|1,0,1]=4 1710 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,0,1,0,0,0|1,0,1]=4 1711 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,0,1,0,0,0|1,0,1]=4 1712 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,0,1,0,0,0|1,0,1]=4 1713 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,0,1,0,0,0|1,0,1]=4 1714 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,0,1,0,0,0|1,0,1]=4 1715 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,0,1,0,0,0|1,0,1]=4 1716 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,0,1,0,0,0|1,0,1]=4 1717 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,0,1,0,0,0|1,0,1]=4 1718 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,0,1,0,0,0|1,0,1]=4 1719 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,0,1,0,0,0|1,0,1]=4 1720 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,0,1,0,0,0|1,0,1]=4 1721 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,0,1,0,0,0|1,0,1]=4 1722 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,0,1,0,0,0|1,0,1]=4 1723 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,0,1,0,0,0|1,0,1]=4 1724 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,0,1,0,0,0|1,0,1]=4 1725 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,0,1,0,0,0|2,0,0]=4 1726 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,0,1,0,0,0|1,0,0]=3 1727 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,0,1,0,0,0|1,0,0]=3 1728 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,0,1,0,0,0|1,0,0]=3 1729 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,0,1,0,0,0|1,0,0]=3 1730 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,0,1,0,0,0|1,0,0]=3 1731 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,0,1,0,0,0|1,0,0]=3 1732 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,0,1,0,0,0|1,0,0]=3 1733 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,0,1,0,0,0|1,0,0]=3 1734 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,0,1,0,0,0|1,0,0]=3 1735 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,0,1,0,0,0|1,0,0]=3 1736 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,1,0,0,0|1,0,0]=3 1737 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,1,0,0,0|1,0,0]=3 1738 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,1,0,0,0|1,0,0]=3 1739 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,1,0,0,0|1,0,0]=3 1740 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,1,0,0,0|1,0,1]=4 1741 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,1,0,0,0|1,0,1]=4 1742 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,1,0,0,0|1,0,1]=4 1743 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,1,0,0,0|1,0,1]=4 1744 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,1,0,0,0|1,0,1]=4 1745 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,1,0,0,0|1,0,1]=4 1746 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,1,0,0,0|1,0,1]=4 1747 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,1,0,0,0|1,0,1]=4 1748 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [1,0,1,0,0,0|2,0,0]=4 1749 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,1,0,0,0|2,0,0]=4 1750 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,1,0,0,0|2,0,0]=4 1751 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,0,1,0,0,0|1,0,0]=3 1752 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [1,0,1,0,0,0|2,0,0]=4 1753 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,0,1,0,0,0|1,0,0]=3 1754 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [1,0,1,0,0,0|2,0,0]=4 1755 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [1,0,1,0,0,0|2,0,0]=4 1756 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,0,1,0,0,0|2,0,0]=4 1757 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [1,0,1,0,0,0|2,0,0]=4 1758 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,1,0,0,0|1,0,0]=3 1759 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,1,0,0,0|1,0,0]=3 1760 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,0,1,0,0,0|1,0,0]=3 1761 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [1,0,1,0,0,0|2,0,0]=4 1762 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [1,0,1,0,0,0|2,0,0]=4 1763 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,0,1,0,0,0|2,0,0]=4 1764 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,0,1,0,0,0|2,0,0]=4 1765 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [1,0,1,0,0,0|2,0,0]=4 1766 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [1,0,1,0,0,0|2,0,0]=4 1767 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [1,0,1,0,0,0|2,0,0]=4 1768 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [1,0,1,0,0,0|2,0,0]=4 1769 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [1,0,1,0,0,0|2,0,0]=4 1770 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [1,0,1,0,0,0|2,0,0]=4 1771 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,0,1,0,0,0|2,0,0]=4 1772 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,0,1,0,0,0|2,0,0]=4 1773 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,0,1,0,0,0|2,0,0]=4 1774 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,0,1,0,0,0|2,0,0]=4 1775 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,0,1,0,0,0|2,0,0]=4 1776 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,0,1,0,0,0|2,0,0]=4 1777 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,0,1,0,0,0|2,0,0]=4 1778 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,0,1,0,0,0|2,0,0]=4 1779 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,0,1,0,0,0|2,0,0]=4 1780 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,0,1,0,0,0|2,0,0]=4 1781 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,0,1,0,0,0|2,0,0]=4 1782 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,0,1,0,0,0|2,0,0]=4 1783 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,0,1,0,0,0|2,0,0]=4 1784 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,0,1,0,0,0|2,0,0]=4 1785 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,0,1,0,0,0|2,0,0]=4 1786 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,0,1,0,0,0|2,0,0]=4 1787 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,0,1,0,0,0|2,0,0]=4 1788 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,0,1,0,0,0|2,0,0]=4 1789 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,0,1,0,0,0|2,0,0]=4 1790 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,0,1,0,0,0|2,0,0]=4 1791 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,0,1,0,0,0|2,0,0]=4 1792 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,0,1,0,0,0|2,0,0]=4 1793 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,0,1,0,0,0|2,0,0]=4 1794 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,0,1,0,0,0|2,0,0]=4 1795 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,0,1,0,0,0|2,0,0]=4 1796 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,0,1,0,0,0|2,0,0]=4 1797 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,0,1,0,0,0|2,0,0]=4 1798 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,0,1,0,0,0|2,0,0]=4 1799 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,0,1,0,0,0|2,0,0]=4 1800 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,0,1,0,0,0|2,0,0]=4 1801 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,0,1,0,0,0|2,0,0]=4 1802 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,0,1,0,0,0|2,0,0]=4 1803 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,0,1,0,0,0|2,0,0]=4 1804 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,0,1,0,0,0|2,0,0]=4 1805 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,0,1,0,0,0|2,0,0]=4 1806 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,0,1,0,0,0|2,0,0]=4 1807 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,0,1,0,0,0|2,0,0]=4 1808 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,0,1,0,0,0|2,0,0]=4 1809 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,0,1,0,0,0|2,0,0]=4 1810 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,0,1,0,0,0|2,0,0]=4 1811 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,0,1,0,0,0|2,0,0]=4 1812 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,0,1,0,0,0|1,0,0]=3 1813 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,0,1,0,0,0|1,0,0]=3 1814 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [1,0,1,0,0,0|2,0,0]=4 1815 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [1,0,1,0,0,0|2,0,0]=4 1816 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [1,0,1,0,0,0|2,0,0]=4 1817 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [1,0,1,0,0,0|2,0,0]=4 1818 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [1,0,1,0,0,0|2,0,0]=4 1819 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [1,0,1,0,0,0|2,0,0]=4 1820 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [1,0,1,0,0,0|2,0,0]=4 1821 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [1,0,1,0,0,0|2,0,0]=4 1822 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [1,0,1,0,0,0|2,0,0]=4 1823 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [1,0,1,0,0,0|2,0,0]=4 1824 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [1,0,1,0,0,0|2,0,0]=4 1825 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [1,0,1,0,0,0|2,0,0]=4 1826 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [1,0,1,0,0,0|2,0,0]=4 1827 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [1,0,1,0,0,0|2,0,0]=4 1828 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [1,0,1,0,0,0|2,0,0]=4 1829 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [1,0,1,0,0,0|2,0,0]=4 1830 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [1,0,1,0,0,0|2,0,0]=4 1831 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [1,0,1,0,0,0|2,0,0]=4 1832 B6R0.6 COCCCCF 34a_100011995726_200000210301 [1,0,1,0,0,0|2,0,0]=4 1833 B6R0.6 COCCCCF 34a_100138415774_100000729493 [1,0,1,0,0,0|2,0,0]=4 1834 B6R0.6 COCCCCF 7a_100011995726_200000210301 [1,0,1,0,0,0|2,0,0]=4 1835 B6R0.6 COCCCCI 34a_200012148704_200000210301 [1,0,1,0,0,0|2,0,0]=4 1836 B6R0.6 COCCCCN 34a_100000750430_200000210301 [1,0,1,0,0,0|2,0,0]=4 1837 B6R0.6 COCCCCO 34a_100138415774_100011216708 [1,0,1,0,0,0|2,0,0]=4 1838 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [1,0,1,0,0,0|2,0,0]=4 1839 B6R0.6 COCCCOC 34a_100000740835_200000210301 [1,0,1,0,0,0|2,0,0]=4 1840 B6R0.6 COCCCOC 34a_100138415774_100000740836 [1,0,1,0,0,0|2,0,0]=4 1841 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [1,0,1,0,0,0|2,0,0]=4 1842 B6R0.6 COCCCSC 34a_100000690336_200000210301 [1,0,1,0,0,0|2,0,0]=4 1843 B6R0.6 COCCCSC 62a_100000709357_200000210301 [1,0,1,0,0,0|2,0,0]=4 1844 B6R0.6 COCCCSC 62a_200000210301_100000709357 [1,0,1,0,0,0|2,0,0]=4 1845 B6R0.6 COCCCSC 7a_100000690336_200000210301 [1,0,1,0,0,0|2,0,0]=4 1846 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [1,0,1,0,0,0|2,0,0]=4 1847 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [1,0,1,0,0,0|2,0,0]=4 1848 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [1,0,1,0,0,0|2,0,0]=4 1849 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [1,0,1,0,0,0|2,0,0]=4 1850 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,0,1,0,0,0|1,0,0]=3 1851 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,0,1,0,0,0|1,0,0]=3 1852 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [1,0,1,0,0,0|2,0,0]=4 1853 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [1,0,1,0,0,0|2,0,0]=4 1854 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,0,1,0,0,0|2,0,0]=4 1855 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,0,1,0,0,0|2,0,0]=4 1856 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [1,0,1,0,0,0|2,0,0]=4 1857 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [1,0,1,0,0,0|2,0,0]=4 1858 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [1,0,1,0,0,0|2,0,0]=4 1859 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,0,1,0,0,0|2,0,0]=4 1860 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,0,1,0,0,0|2,0,0]=4 1861 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [1,0,1,0,0,0|2,0,0]=4 1862 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [1,0,1,0,0,0|2,0,0]=4 1863 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,0,1,0,0,0|2,0,0]=4 1864 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,0,1,0,0,0|2,0,0]=4 1865 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [1,0,1,0,0,0|2,0,0]=4 1866 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,0,1,0,0,0|2,0,0]=4 1867 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,0,1,0,0,0|2,0,0]=4 1868 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,0,1,0,0,0|2,0,0]=4 1869 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,0,1,0,0,0|2,0,0]=4 1870 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [1,0,1,0,0,0|2,0,0]=4 1871 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [1,0,1,0,0,0|2,0,0]=4 1872 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [1,0,1,0,0,0|2,0,0]=4 1873 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [1,0,1,0,0,0|2,0,0]=4 1874 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [1,0,1,0,0,0|2,0,0]=4 1875 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [1,0,1,0,0,0|2,0,0]=4 1876 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [1,0,1,0,0,0|2,0,0]=4 1877 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [1,0,1,0,0,0|2,0,0]=4 1878 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [1,0,1,0,0,0|2,0,0]=4 1879 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,0,1,0,0,0|1,0,0]=3 1880 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,0,1,0,0,0|1,0,0]=3 1881 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [1,0,1,0,0,0|2,0,0]=4 1882 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [1,0,1,0,0,0|2,0,0]=4 1883 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,0,1,0,0,0|2,0,0]=4 1884 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,0,1,0,0,0|2,0,0]=4 1885 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [0,1,1,0,0,0|1,0,1]=4 1886 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [0,1,1,0,0,0|2,0,0]=4 1887 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [0,1,1,0,0,0|2,0,0]=4 1888 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,1,1,0,0,0|2,0,0]=4 1889 B8R0.2 CC(C)C(C)C(=O)CF 1458a_100000755409_100015361967 [0,1,1,0,0,0|1,0,0]=3 1890 B8R0.2 CC(C)N(C)C(=O)CO 240690a_200000211004_100000210174 [0,1,1,0,0,0|2,0,0]=4 1891 B8R0.2 CC(C)N(C)C(=O)CO 527a_200000211004_100000210174 [0,1,1,0,0,0|2,0,0]=4 1892 B8R0.2 CC(C)[C@@H](O)C(=O)CF 1458a_100000691806_100015361967 [0,1,1,0,0,0|1,0,0]=3 1893 B8R0.2 CCC(=O)C(=O)N(C)C 1458a_100011218876_100000210202 [0,1,1,0,0,0|1,0,1]=4 1894 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,1,1,0,0,0|1,0,1]=4 1895 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,1,1,0,0,0|1,0,1]=4 1896 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [0,1,1,0,0,0|0,0,0]=2 1897 B8R0.2 CCC(=O)C(C)N(C)C 2230a_100102631434_100000742827 [0,1,1,0,0,0|1,0,0]=3 1898 B8R0.2 CCC(=O)C(C)N(C)C 269982a_100102631434_100000742827 [0,1,1,0,0,0|1,0,0]=3 1899 B8R0.2 CCC(=O)N(C)C(C)C 11a_200000211004_100000210414 [0,1,1,0,0,0|1,0,0]=3 1900 B8R0.2 CCC(=O)N(C)C(C)C 1626a_200000211004_100000210414 [0,1,1,0,0,0|1,0,0]=3 1901 B8R0.2 CCC(=O)N(C)C(C)C 240690a_200000211004_100000210414 [0,1,1,0,0,0|1,0,0]=3 1902 B8R0.2 CCC(=O)N(C)C(C)C 527a_200000211004_100000210414 [0,1,1,0,0,0|1,0,0]=3 1903 B8R0.2 CCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210202 [0,1,1,0,0,0|1,0,0]=3 1904 B8R0.2 CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210202 [0,1,1,0,0,0|0,0,0]=2 1905 B8R0.2 CCC(C)C(C)N(C)C 270004a_100102631434_100000210599 [0,1,1,0,0,0|2,0,0]=4 1906 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,1,1,0,0,0|1,0,0]=3 1907 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,1,1,0,0,0|1,0,0]=3 1908 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,1,1,0,0,0|1,0,0]=3 1909 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,1,1,0,0,0|1,0,0]=3 1910 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,1,1,0,0,0|1,0,0]=3 1911 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,1,1,0,0,0|1,0,0]=3 1912 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,1,1,0,0,0|1,0,0]=3 1913 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100000225621_100000702099 [0,1,1,0,0,0|2,0,0]=4 1914 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100020603310_200000210301 [0,1,1,0,0,0|2,0,0]=4 1915 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100000225621_100000184083 [0,1,1,0,0,0|2,0,0]=4 1916 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100020603310_200000210301 [0,1,1,0,0,0|2,0,0]=4 1917 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,1,1,0,0,0|2,0,0]=4 1918 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,1,1,0,0,0|1,0,0]=3 1919 B8R0.2 CCN(C)C(C)C(C)C 2230a_100000228512_100000210202 [0,1,1,0,0,0|2,0,0]=4 1920 B8R0.2 CCN(C)C(C)C(C)C 2230a_100000746363_200000210301 [0,1,1,0,0,0|2,0,0]=4 1921 B8R0.2 CCN(C)C(C)C(C)C 269982a_100000228512_100000204670 [0,1,1,0,0,0|2,0,0]=4 1922 B8R0.2 CCN(C)C(C)C(C)C 269982a_100000746363_200000210301 [0,1,1,0,0,0|2,0,0]=4 1923 B8R0.2 CCN(C)C(F)C(=O)N 2230a_100000225621_100009813875 [0,1,1,0,0,0|2,0,0]=4 1924 B8R0.2 CCN(C)C(F)C(=O)N 269982a_100000225621_100009813875 [0,1,1,0,0,0|2,0,0]=4 1925 B8R0.2 CCN([13CH3])C(C)C(=O)N 2230a_100020603310_200025704644 [0,1,1,0,0,0|2,0,0]=4 1926 B8R0.2 CCN([13CH3])C(C)C(=O)N 269982a_100020603310_200025704644 [0,1,1,0,0,0|2,0,0]=4 1927 B8R0.2 CCN([13CH3])C(C)C(C)C 2230a_100000746363_200025704644 [0,1,1,0,0,0|2,0,0]=4 1928 B8R0.2 CCN([13CH3])C(C)C(C)C 269982a_100000746363_200025704644 [0,1,1,0,0,0|2,0,0]=4 1929 B8R0.2 CNC(=O)C(=O)C(C)C 1458a_100011218921_100000210206 [0,1,1,0,0,0|1,0,1]=4 1930 B8R0.2 CNC(=O)C(C)C(C)C 11a_106832991635_100000755409 [0,1,1,0,0,0|1,0,0]=3 1931 B8R0.2 CNC(=O)C(C)C(C)C 1626a_100102657272_100000755409 [0,1,1,0,0,0|1,0,0]=3 1932 B8R0.2 CNC(=O)C(C)C(C)C 240690a_100102657272_100000755409 [0,1,1,0,0,0|1,0,0]=3 1933 B8R0.2 CNC(=O)C(C)C(C)C 527a_100102657272_100000755409 [0,1,1,0,0,0|1,0,0]=3 1934 B8R0.2 CNC(=O)C(C)N(C)C 2230a_100102631434_100000731044 [0,1,1,0,0,0|2,0,0]=4 1935 B8R0.2 CNC(=O)C(C)N(C)C 269982a_100102631434_100000209862 [0,1,1,0,0,0|2,0,0]=4 1936 B8R0.2 CNC(=O)C(F)N(C)C 2230a_100102631434_100009813575 [0,1,1,0,0,0|2,0,0]=4 1937 B8R0.2 CNC(=O)C(F)N(C)C 269982a_100102631434_100009813575 [0,1,1,0,0,0|2,0,0]=4 1938 B8R0.2 CNC(=O)N(C)C(C)C 2708a_100102657272_200000211004 [0,1,1,0,0,0|2,0,0]=4 1939 B8R0.2 CNC(=O)N(C)C(C)C 273464a_100102657272_200000211004 [0,1,1,0,0,0|2,0,0]=4 1940 B8R0.2 CNC(=O)[C@H](C)N(C)C 240690a_100102657272_100009822176 [0,1,1,0,0,0|2,0,0]=4 1941 B8R0.2 CNC(=O)[C@H](C)N(C)C 527a_100102657272_100009822176 [0,1,1,0,0,0|2,0,0]=4 1942 B8R0.2 CNC(=O)[C@H](O)C(C)C 240690a_100102657272_100000691806 [0,1,1,0,0,0|1,0,0]=3 1943 B8R0.2 COC(=O)C(C)N(C)C 2230a_100000725243_200000210301 [0,1,1,0,0,0|2,0,0]=4 1944 B8R0.2 COC(=O)C(C)N(C)C 2230a_100102631434_100000211248 [0,1,1,0,0,0|2,0,0]=4 1945 B8R0.2 COC(=O)C(C)N(C)C 269982a_100000725243_200000210301 [0,1,1,0,0,0|2,0,0]=4 1946 B8R0.2 COC(=O)C(C)N(C)C 269982a_100102631434_100000211248 [0,1,1,0,0,0|2,0,0]=4 1947 B8R0.2 COC(=O)C(C)N(C)[13CH3] 2230a_100000725243_200025704644 [0,1,1,0,0,0|2,0,0]=4 1948 B8R0.2 COC(=O)C(C)N(C)[13CH3] 269982a_100000725243_200025704644 [0,1,1,0,0,0|2,0,0]=4 1949 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [0,1,1,0,0,0|2,0,0]=4 1950 B8R0.2 C[C@@H](C(=O)CF)N(C)C 1458a_100009822176_100015361967 [0,1,1,0,0,0|2,0,0]=4 1951 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [0,1,1,0,0,0|2,0,0]=4 1952 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,1,1,0,0,0|2,0,0]=4 1953 B8R0.5 C#CCC(=O)CC(C)C 1458a_100000210554_100000184674 [0,1,1,0,0,0|0,0,1]=3 1954 B8R0.5 C#CCC(=O)CC(C)C 1458a_100011220946_100000210624 [0,1,1,0,0,0|0,0,1]=3 1955 B8R0.5 C#CCC(=O)CC(C)O 1458a_100011220946_100011218427 [0,1,1,0,0,0|1,0,1]=4 1956 B8R0.5 C#CCC(=O)CN(C)C 1458a_100000750896_100000184674 [0,1,1,0,0,0|1,0,1]=4 1957 B8R0.5 C#CCC(=O)C[C@@H](C)O 1458a_100011933948_100000184674 [0,1,1,0,0,0|1,0,1]=4 1958 B8R0.5 C#CCC(=O)C[S+](C)C 1458a_200159257847_100000184674 [0,1,1,0,0,0|1,0,1]=4 1959 B8R0.5 C#CCC(=O)NC(C)C 1626a_100138425928_100011220946 [0,1,1,0,0,0|1,0,1]=4 1960 B8R0.5 C#CCC(=O)NC(C)C 527a_100138425928_100011220946 [0,1,1,0,0,0|1,0,1]=4 1961 B8R0.5 C=C(C)CC(=O)CCC 1458a_100000211992_100000748629 [0,1,1,0,0,0|0,0,2]=4 1962 B8R0.5 C=C(C)CC(=O)CCO 1458a_100011216618_100000748629 [0,1,1,0,0,0|0,0,2]=4 1963 B8R0.5 C=C(C)CC(=O)COC 1458a_100000210968_100000748629 [0,1,1,0,0,0|0,0,2]=4 1964 B8R0.5 C=C(C)CC(=O)CSC 1458a_100000184570_100000748629 [0,1,1,0,0,0|0,0,2]=4 1965 B8R0.5 C=C(C)CN(C)CCC 2230a_100000225649_100000210303 [0,1,1,0,0,0|2,0,0]=4 1966 B8R0.5 C=C(C)CN(C)CCC 2230a_100000747261_100000748629 [0,1,1,0,0,0|2,0,0]=4 1967 B8R0.5 C=C(C)CN(C)CCC 269982a_100000225649_100000210303 [0,1,1,0,0,0|2,0,0]=4 1968 B8R0.5 C=C(C)CN(C)CCC 269982a_100000747261_100000748629 [0,1,1,0,0,0|2,0,0]=4 1969 B8R0.5 C=C(C)CN(C)CCF 2230a_100000225649_100011217306 [0,1,1,0,0,0|2,0,0]=4 1970 B8R0.5 C=C(C)CN(C)CCF 269982a_100000225649_100011217306 [0,1,1,0,0,0|2,0,0]=4 1971 B8R0.5 C=C(C)CN(C)CCO 2230a_100000210263_100000748629 [0,1,1,0,0,0|2,0,0]=4 1972 B8R0.5 C=C(C)CN(C)CCO 2230a_100000225649_100000211926 [0,1,1,0,0,0|2,0,0]=4 1973 B8R0.5 C=C(C)CN(C)CCO 269982a_100000210263_100000748629 [0,1,1,0,0,0|2,0,0]=4 1974 B8R0.5 C=C(C)CN(C)CCO 269982a_100000225649_100000211926 [0,1,1,0,0,0|2,0,0]=4 1975 B8R0.5 C=C(C)CN(C)COC 2230a_100000225649_100000766300 [0,1,1,0,0,0|2,0,0]=4 1976 B8R0.5 C=C(C)CN(C)COC 269982a_100000225649_100000766300 [0,1,1,0,0,0|2,0,0]=4 1977 B8R0.5 C=C(C)CN(C)CSC 2230a_100000225649_100011218213 [0,1,1,0,0,0|2,0,0]=4 1978 B8R0.5 C=C(C)CN(C)CSC 269982a_100000225649_100011218213 [0,1,1,0,0,0|2,0,0]=4 1979 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,1,1,0,0,0|0,0,2]=4 1980 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,1,1,0,0,0|0,0,2]=4 1981 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [0,1,1,0,0,0|0,0,1]=3 1982 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [0,1,1,0,0,0|0,0,1]=3 1983 B8R0.5 C=CCC(=O)CC(C)O 1458a_100000210193_100011218427 [0,1,1,0,0,0|1,0,1]=4 1984 B8R0.5 C=CCC(=O)CN(C)C 1458a_100000750896_100000210623 [0,1,1,0,0,0|1,0,1]=4 1985 B8R0.5 C=CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210623 [0,1,1,0,0,0|1,0,1]=4 1986 B8R0.5 C=CCC(=O)C[S+](C)C 1458a_200159257847_100000210623 [0,1,1,0,0,0|1,0,1]=4 1987 B8R0.5 C=CCC(=O)NC(C)C 11a_100138425928_100000210193 [0,1,1,0,0,0|1,0,1]=4 1988 B8R0.5 C=CCC(=O)NC(C)C 1626a_100138425928_100000210193 [0,1,1,0,0,0|1,0,1]=4 1989 B8R0.5 C=CCC(=O)NC(C)C 240690a_100138425928_100000210193 [0,1,1,0,0,0|1,0,1]=4 1990 B8R0.5 C=CCC(=O)NC(C)C 527a_100138425928_100000210193 [0,1,1,0,0,0|1,0,1]=4 1991 B8R0.5 CC#CC(=O)CC(C)C 1458a_100000763181_100000210624 [0,1,1,0,0,0|0,0,1]=3 1992 B8R0.5 CC#CC(=O)CC(C)O 1458a_100000763181_100011218427 [0,1,1,0,0,0|1,0,1]=4 1993 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [0,1,1,0,0,0|0,0,2]=4 1994 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [0,1,1,0,0,0|0,0,2]=4 1995 B8R0.5 CC(=O)N[C@@H](C)CC#N 11a_100016994482_100015343762 [0,1,1,0,0,0|1,0,1]=4 1996 B8R0.5 CC(=O)N[C@@H](C)CC#N 1626a_100016994482_100015343762 [0,1,1,0,0,0|1,0,1]=4 1997 B8R0.5 CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100015343762 [0,1,1,0,0,0|1,0,1]=4 1998 B8R0.5 CC(=O)N[C@@H](C)CC#N 527a_100016994482_100103153847 [0,1,1,0,0,0|1,0,1]=4 1999 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,1,1,0,0,0|1,0,0]=3 2000 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,1,1,0,0,0|1,0,0]=3 2001 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [0,1,1,0,0,0|2,0,0]=4 2002 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [0,1,1,0,0,0|2,0,0]=4 2003 B8R0.5 CC(C)CC(=O)C=CBr 1458a_100016273825_100000210624 [0,1,1,0,0,0|0,0,2]=4 2004 B8R0.5 CC(C)CC(=O)C=CCl 1458a_200016279998_100000210624 [0,1,1,0,0,0|0,0,2]=4 2005 B8R0.5 CC(C)CC(=O)C=CI 1458a_100016256311_100000210624 [0,1,1,0,0,0|0,0,2]=4 2006 B8R0.5 CC(C)CC(=O)CC#N 1458a_100000210554_100011214920 [0,1,1,0,0,0|0,0,1]=3 2007 B8R0.5 CC(C)CC(=O)CC#N 1458a_100051588842_100000210624 [0,1,1,0,0,0|0,0,1]=3 2008 B8R0.5 CC(C)CC(=O)CCF 1458a_100000210554_100011217306 [0,1,1,0,0,0|0,0,0]=2 2009 B8R0.5 CC(C)CC(=O)CCO 1458a_100000210554_100000211926 [0,1,1,0,0,0|0,0,0]=2 2010 B8R0.5 CC(C)CC(=O)CCO 1458a_100011216618_100000210624 [0,1,1,0,0,0|0,0,0]=2 2011 B8R0.5 CC(C)CN(C)CCF 2230a_100000747067_100011217306 [0,1,1,0,0,0|2,0,0]=4 2012 B8R0.5 CC(C)CN(C)CCF 269982a_100000747067_100011217306 [0,1,1,0,0,0|2,0,0]=4 2013 B8R0.5 CC(C)CN(C)CCO 2230a_100000210263_100000210760 [0,1,1,0,0,0|2,0,0]=4 2014 B8R0.5 CC(C)CN(C)CCO 2230a_100000747067_100000211926 [0,1,1,0,0,0|2,0,0]=4 2015 B8R0.5 CC(C)CN(C)CCO 2230a_100015185251_200000210301 [0,1,1,0,0,0|2,0,0]=4 2016 B8R0.5 CC(C)CN(C)CCO 269982a_100000210263_100000210624 [0,1,1,0,0,0|2,0,0]=4 2017 B8R0.5 CC(C)CN(C)CCO 269982a_100000747067_100000211926 [0,1,1,0,0,0|2,0,0]=4 2018 B8R0.5 CC(C)CN(C)CCO 269982a_100015185251_200000210301 [0,1,1,0,0,0|2,0,0]=4 2019 B8R0.5 CC(C)CN(C)CCO 270004a_100000210263_100000210432 [0,1,1,0,0,0|2,0,0]=4 2020 B8R0.5 CC(C)CN([13CH3])CCO 2230a_100015185251_200025704644 [0,1,1,0,0,0|2,0,0]=4 2021 B8R0.5 CC(C)CN([13CH3])CCO 269982a_100015185251_200025704644 [0,1,1,0,0,0|2,0,0]=4 2022 B8R0.5 CC(C)C[C@H](N)CO[13CH3] 34a_100011830311_200025704644 [0,1,1,0,0,0|1,0,1]=4 2023 B8R0.5 CC(C)NC(=O)CC#N 1626a_100138425928_100051588842 [0,1,1,0,0,0|1,0,1]=4 2024 B8R0.5 CC(C)NC(=O)CC#N 240690a_100138425928_100051588842 [0,1,1,0,0,0|1,0,1]=4 2025 B8R0.5 CC(C)NC(=O)CCO 240690a_100138425928_100011216618 [0,1,1,0,0,0|1,0,0]=3 2026 B8R0.5 CC(C)NC(=O)CN[13CH3] 2230a_100000168517_200025704644 [0,1,1,0,0,0|1,0,0]=3 2027 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_100000183996_200025704644 [0,1,1,0,0,0|1,0,0]=3 2028 B8R0.5 CC(C)NC(=O)CS[13CH3] 62a_200025704644_100000183996 [0,1,1,0,0,0|1,0,0]=3 2029 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_100011215430_200025704644 [0,1,1,0,0,0|1,0,0]=3 2030 B8R0.5 CC(C)OC(=O)CS[13CH3] 62a_200025704644_100011215430 [0,1,1,0,0,0|1,0,0]=3 2031 B8R0.5 CC(CS[13CH3])CN(C)C 62a_100015348159_200025704644 [0,1,1,0,0,0|2,0,0]=4 2032 B8R0.5 CC(CS[13CH3])CN(C)C 62a_200025704644_100015348159 [0,1,1,0,0,0|2,0,0]=4 2033 B8R0.5 CC(O)CC(=O)CC#N 1458a_100051588842_100011218427 [0,1,1,0,0,0|1,0,1]=4 2034 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [0,1,1,0,0,0|1,0,0]=3 2035 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,1,1,0,0,0|0,0,1]=3 2036 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [0,1,1,0,0,0|1,0,1]=4 2037 B8R0.5 CC=CC(=O)NC(C)C 11a_100138425928_100000210699 [0,1,1,0,0,0|1,0,1]=4 2038 B8R0.5 CC=CC(=O)NC(C)C 1626a_100138425928_100000210699 [0,1,1,0,0,0|1,0,1]=4 2039 B8R0.5 CC=CC(=O)NC(C)C 240690a_100138425928_100000210699 [0,1,1,0,0,0|1,0,1]=4 2040 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,1,1,0,0,0|0,0,2]=4 2041 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,1,1,0,0,0|0,0,2]=4 2042 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [0,1,1,0,0,0|0,0,2]=4 2043 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,1,1,0,0,0|1,0,1]=4 2044 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [0,1,1,0,0,0|0,0,0]=2 2045 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [0,1,1,0,0,0|0,0,0]=2 2046 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [0,1,1,0,0,0|1,0,0]=3 2047 B8R0.5 CCCC(=O)CC(F)F 1458a_100000211992_100011934356 [0,1,1,0,0,0|2,0,0]=4 2048 B8R0.5 CCCC(=O)CN(C)C 1458a_100000750896_100000210303 [0,1,1,0,0,0|1,0,0]=3 2049 B8R0.5 CCCC(=O)CN(C)C 2230a_100102631434_100000747444 [0,1,1,0,0,0|1,0,0]=3 2050 B8R0.5 CCCC(=O)CN(C)C 269982a_100102631434_100000747444 [0,1,1,0,0,0|1,0,0]=3 2051 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [0,1,1,0,0,0|1,0,0]=3 2052 B8R0.5 CCCC(=O)C[S+](C)C 1458a_200159257847_100000210303 [0,1,1,0,0,0|1,0,0]=3 2053 B8R0.5 CCCC(=O)NC(C)C 11a_100138425928_100000211992 [0,1,1,0,0,0|1,0,0]=3 2054 B8R0.5 CCCC(=O)NC(C)C 1626a_100138425928_100000211992 [0,1,1,0,0,0|1,0,0]=3 2055 B8R0.5 CCCC(=O)NC(C)C 240690a_100138425928_100000211992 [0,1,1,0,0,0|1,0,0]=3 2056 B8R0.5 CCCC(=O)NC(C)C 527a_100138425928_100000211992 [0,1,1,0,0,0|1,0,0]=3 2057 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,1,1,0,0,0|0,0,0]=2 2058 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,1,1,0,0,0|0,0,0]=2 2059 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,1,1,0,0,0|0,0,0]=2 2060 B8R0.5 CCCC(C)CN(C)C 2230a_100102631434_100011216630 [0,1,1,0,0,0|2,0,0]=4 2061 B8R0.5 CCCC(C)CN(C)C 269982a_100102631434_100011216630 [0,1,1,0,0,0|2,0,0]=4 2062 B8R0.5 CCCC(C)CN(C)C 270004a_100102631434_100000243154 [0,1,1,0,0,0|2,0,0]=4 2063 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,1,1,0,0,0|1,0,0]=3 2064 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,1,1,0,0,0|1,0,0]=3 2065 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,1,1,0,0,0|1,0,0]=3 2066 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,1,1,0,0,0|1,0,0]=3 2067 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,1,1,0,0,0|2,0,0]=4 2068 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,1,1,0,0,0|2,0,0]=4 2069 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,1,1,0,0,0|2,0,0]=4 2070 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,1,1,0,0,0|2,0,0]=4 2071 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,1,1,0,0,0|2,0,0]=4 2072 B8R0.5 CCCN(C)CC(C)C 2230a_100000747067_100000210303 [0,1,1,0,0,0|2,0,0]=4 2073 B8R0.5 CCCN(C)CC(C)C 2230a_100000747261_100000210760 [0,1,1,0,0,0|2,0,0]=4 2074 B8R0.5 CCCN(C)CC(C)C 269982a_100000747067_100000210303 [0,1,1,0,0,0|2,0,0]=4 2075 B8R0.5 CCCN(C)CC(C)C 269982a_100000747261_100000210624 [0,1,1,0,0,0|2,0,0]=4 2076 B8R0.5 CCCN(C)CC(C)C 270004a_100000747261_100000210432 [0,1,1,0,0,0|2,0,0]=4 2077 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,1,1,0,0,0|2,0,0]=4 2078 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,1,1,0,0,0|2,0,0]=4 2079 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [0,1,1,0,0,0|0,0,2]=4 2080 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [0,1,1,0,0,0|0,0,2]=4 2081 B8R0.5 CCNC(=O)CC(=O)C 1458a_100000070787_100000183381 [0,1,1,0,0,0|1,0,1]=4 2082 B8R0.5 CCNC(=O)CC(C)C 11a_100015525214_100000210554 [0,1,1,0,0,0|0,0,0]=2 2083 B8R0.5 CCNC(=O)CC(C)C 240690a_100015525214_100000210554 [0,1,1,0,0,0|0,0,0]=2 2084 B8R0.5 CCNC(=O)CC(C)C 527a_100015525214_100000210554 [0,1,1,0,0,0|0,0,0]=2 2085 B8R0.5 CCNC(=O)CN(C)C 11a_100015525214_100000750896 [0,1,1,0,0,0|1,0,0]=3 2086 B8R0.5 CCNC(=O)CN(C)C 2230a_100000741943_200000210301 [0,1,1,0,0,0|1,0,0]=3 2087 B8R0.5 CCNC(=O)CN(C)C 2230a_100102631434_100000183381 [0,1,1,0,0,0|1,0,0]=3 2088 B8R0.5 CCNC(=O)CN(C)C 240690a_100015525214_100000750896 [0,1,1,0,0,0|1,0,0]=3 2089 B8R0.5 CCNC(=O)CN(C)C 269982a_100000741943_200000210301 [0,1,1,0,0,0|1,0,0]=3 2090 B8R0.5 CCNC(=O)CN(C)C 269982a_100102631434_100000183381 [0,1,1,0,0,0|1,0,0]=3 2091 B8R0.5 CCNC(=O)CN(C)C 527a_100015525214_100000750896 [0,1,1,0,0,0|1,0,0]=3 2092 B8R0.5 CCNC(=O)CN(C)[13CH3] 2230a_100000741943_200025704644 [0,1,1,0,0,0|1,0,0]=3 2093 B8R0.5 CCNC(=O)CN(C)[13CH3] 269982a_100000741943_200025704644 [0,1,1,0,0,0|1,0,0]=3 2094 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [0,1,1,0,0,0|1,0,0]=3 2095 B8R0.5 CCNC(=O)C[S+](C)C 11a_100015525214_200159257847 [0,1,1,0,0,0|1,0,0]=3 2096 B8R0.5 CCNC(=O)C[S+](C)C 240690a_100015525214_200159257847 [0,1,1,0,0,0|1,0,0]=3 2097 B8R0.5 CCNC(=O)C[S+](C)C 527a_100015525214_200159257847 [0,1,1,0,0,0|1,0,0]=3 2098 B8R0.5 CCNC(=O)NC(C)C 2708a_100015525214_100138425928 [0,1,1,0,0,0|1,0,0]=3 2099 B8R0.5 CCNC(=O)NC(C)C 2708a_100138425928_100015525214 [0,1,1,0,0,0|1,0,0]=3 2100 B8R0.5 CCNC(=O)NC(C)C 273464a_100138425928_100015525214 [0,1,1,0,0,0|1,0,0]=3 2101 B8R0.5 CCNC(=O)NC(C)C 512a_100015525214_100138425928 [0,1,1,0,0,0|1,0,0]=3 2102 B8R0.5 CCNC(=O)NC(C)C 512a_100138425928_100015525214 [0,1,1,0,0,0|1,0,0]=3 2103 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [0,1,1,0,0,0|1,0,1]=4 2104 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [0,1,1,0,0,0|1,0,1]=4 2105 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000070787_100000188475 [0,1,1,0,0,0|1,0,1]=4 2106 B8R0.5 CCOC(=O)CC(=O)C 1458a_100000243816_200000210301 [0,1,1,0,0,0|1,0,1]=4 2107 B8R0.5 CCOC(=O)CC(=O)[13CH3] 1458a_100000243816_200025704644 [0,1,1,0,0,0|1,0,1]=4 2108 B8R0.5 CCOC(=O)CN(C)C 2230a_100000220588_200000210301 [0,1,1,0,0,0|1,0,0]=3 2109 B8R0.5 CCOC(=O)CN(C)C 2230a_100102631434_100000188475 [0,1,1,0,0,0|1,0,0]=3 2110 B8R0.5 CCOC(=O)CN(C)C 269982a_100102631434_100000188475 [0,1,1,0,0,0|1,0,0]=3 2111 B8R0.5 CCOC(=O)CN(C)[13CH3] 2230a_100000220588_200025704644 [0,1,1,0,0,0|1,0,0]=3 2112 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [0,1,1,0,0,0|1,0,1]=4 2113 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,1,1,0,0,0|1,0,1]=4 2114 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,1,1,0,0,0|1,0,1]=4 2115 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,1,1,0,0,0|1,0,1]=4 2116 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,1,1,0,0,0|0,0,0]=2 2117 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,1,1,0,0,0|0,0,0]=2 2118 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [0,1,1,0,0,0|1,0,1]=4 2119 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [0,1,1,0,0,0|1,0,1]=4 2120 B8R0.5 CCSC(C)CN(C)C 62a_100000210202_100020606517 [0,1,1,0,0,0|2,0,0]=4 2121 B8R0.5 CCSC(C)CN(C)C 62a_100020606517_100000210202 [0,1,1,0,0,0|2,0,0]=4 2122 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,1,1,0,0,0|1,0,0]=3 2123 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,1,1,0,0,0|1,0,0]=3 2124 B8R0.5 CN(C)CC(=O)CC#N 1458a_100000750896_100011214920 [0,1,1,0,0,0|1,0,1]=4 2125 B8R0.5 CN(C)CC(=O)CCF 1458a_100000750896_100011217306 [0,1,1,0,0,0|1,0,0]=3 2126 B8R0.5 CN(C)CC(=O)CCO 1458a_100000750896_100000211926 [0,1,1,0,0,0|1,0,0]=3 2127 B8R0.5 CN(C)CC(=O)NCO 2230a_100102631434_100000185155 [0,1,1,0,0,0|2,0,0]=4 2128 B8R0.5 CN(C)CC(=O)NCO 269982a_100102631434_100000185155 [0,1,1,0,0,0|2,0,0]=4 2129 B8R0.5 CN(CCF)CC(=O)N 2230a_100000739694_100011217306 [0,1,1,0,0,0|2,0,0]=4 2130 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,1,1,0,0,0|2,0,0]=4 2131 B8R0.5 CN(CCO)CC(=O)N 2230a_100000210263_100000747473 [0,1,1,0,0,0|2,0,0]=4 2132 B8R0.5 CN(CCO)CC(=O)N 2230a_100000739694_100000211926 [0,1,1,0,0,0|2,0,0]=4 2133 B8R0.5 CN(CCO)CC(=O)N 269982a_100000210263_100000187820 [0,1,1,0,0,0|2,0,0]=4 2134 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,1,1,0,0,0|2,0,0]=4 2135 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,1,1,0,0,0|2,0,0]=4 2136 B8R0.5 CN(CCO)CC(=O)[O-] 269982a_100000210263_100020667443 [0,1,1,0,0,0|2,0,0]=4 2137 B8R0.5 CNCC(=O)NC(C)C 2230a_100000168517_200000210301 [0,1,1,0,0,0|1,0,0]=3 2138 B8R0.5 CNCC(=O)NC(C)C 2230a_106832991635_100000183996 [0,1,1,0,0,0|1,0,0]=3 2139 B8R0.5 CNCC(=O)NC(C)C 34a_100102657272_100000183996 [0,1,1,0,0,0|1,0,0]=3 2140 B8R0.5 CNCC(=O)NC(C)C 7a_106832991635_100000183996 [0,1,1,0,0,0|1,0,0]=3 2141 B8R0.5 CNCC(=O)OC(C)C 2230a_106832991635_100011215430 [0,1,1,0,0,0|1,0,0]=3 2142 B8R0.5 CNCC(=O)OC(C)C 34a_100102657272_100011215430 [0,1,1,0,0,0|1,0,0]=3 2143 B8R0.5 CNCC(=O)OC(C)C 7a_106832991635_100011215430 [0,1,1,0,0,0|1,0,0]=3 2144 B8R0.5 CNCC(C)CN(C)C 2230a_106832991635_100015348159 [0,1,1,0,0,0|2,0,0]=4 2145 B8R0.5 CNCC(C)CN(C)C 7a_106832991635_100015348159 [0,1,1,0,0,0|2,0,0]=4 2146 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,1,1,0,0,0|2,0,0]=4 2147 B8R0.5 CNNC(=O)CC(C)C 22a_100016993582_100000210554 [0,1,1,0,0,0|1,0,0]=3 2148 B8R0.5 CNNC(=O)CN(C)C 22a_100016993582_100000750896 [0,1,1,0,0,0|2,0,0]=4 2149 B8R0.5 CNNC(=O)C[C@@H](C)O 22a_100016993582_100011933948 [0,1,1,0,0,0|2,0,0]=4 2150 B8R0.5 CNNC(=O)C[S+](C)C 22a_100016993582_200159257847 [0,1,1,0,0,0|2,0,0]=4 2151 B8R0.5 CNNC(=O)NC(C)C 273464a_100138425928_100016993582 [0,1,1,0,0,0|2,0,0]=4 2152 B8R0.5 CNNC(=O)NC(C)C 512a_100016993582_100138425928 [0,1,1,0,0,0|2,0,0]=4 2153 B8R0.5 CNNC(=O)NC(C)C 512a_100138425928_100016993582 [0,1,1,0,0,0|2,0,0]=4 2154 B8R0.5 COCC(=O)CC(C)C 1458a_100000210968_100000210624 [0,1,1,0,0,0|0,0,0]=2 2155 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [0,1,1,0,0,0|1,0,0]=3 2156 B8R0.5 COCC(=O)CC(F)F 1458a_100000210968_100011934356 [0,1,1,0,0,0|2,0,0]=4 2157 B8R0.5 COCC(=O)NC(C)C 11a_100138425928_100000210968 [0,1,1,0,0,0|1,0,0]=3 2158 B8R0.5 COCC(=O)NC(C)C 1626a_100138425928_100000210968 [0,1,1,0,0,0|1,0,0]=3 2159 B8R0.5 COCC(=O)NC(C)C 240690a_100138425928_100000210968 [0,1,1,0,0,0|1,0,0]=3 2160 B8R0.5 COCC(=O)NC(C)C 34a_100138415774_100000183996 [0,1,1,0,0,0|1,0,0]=3 2161 B8R0.5 COCC(=O)NC(C)C 527a_100138425928_100000210968 [0,1,1,0,0,0|1,0,0]=3 2162 B8R0.5 COCC(=O)OC(C)C 34a_100138415774_100011215430 [0,1,1,0,0,0|1,0,0]=3 2163 B8R0.5 COCN(C)CC(=O)N 2230a_100000739694_100000766300 [0,1,1,0,0,0|2,0,0]=4 2164 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [0,1,1,0,0,0|2,0,0]=4 2165 B8R0.5 COCN(C)CC(C)C 2230a_100000747067_100000766300 [0,1,1,0,0,0|2,0,0]=4 2166 B8R0.5 COCN(C)CC(C)C 269982a_100000747067_100000766300 [0,1,1,0,0,0|2,0,0]=4 2167 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [0,1,1,0,0,0|1,0,0]=3 2168 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [0,1,1,0,0,0|1,0,0]=3 2169 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [0,1,1,0,0,0|1,0,0]=3 2170 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [0,1,1,0,0,0|1,0,0]=3 2171 B8R0.5 COC[C@@H](N)CC(C)C 34a_100011830311_200000210301 [0,1,1,0,0,0|1,0,1]=4 2172 B8R0.5 CSCC(=O)CC(C)C 1458a_100000184570_100000210624 [0,1,1,0,0,0|0,0,0]=2 2173 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [0,1,1,0,0,0|1,0,0]=3 2174 B8R0.5 CSCC(=O)CC(F)F 1458a_100000184570_100011934356 [0,1,1,0,0,0|2,0,0]=4 2175 B8R0.5 CSCC(=O)NC(C)C 11a_100138425928_100000184570 [0,1,1,0,0,0|1,0,0]=3 2176 B8R0.5 CSCC(=O)NC(C)C 1626a_100138425928_100000184570 [0,1,1,0,0,0|1,0,0]=3 2177 B8R0.5 CSCC(=O)NC(C)C 240690a_100138425928_100000184570 [0,1,1,0,0,0|1,0,0]=3 2178 B8R0.5 CSCC(=O)NC(C)C 527a_100138425928_100000184570 [0,1,1,0,0,0|1,0,0]=3 2179 B8R0.5 CSCC(=O)NC(C)C 62a_100000183996_200000210301 [0,1,1,0,0,0|1,0,0]=3 2180 B8R0.5 CSCC(=O)NC(C)C 62a_200000210301_100000183996 [0,1,1,0,0,0|1,0,0]=3 2181 B8R0.5 CSCC(=O)OC(C)C 62a_100011215430_200000210301 [0,1,1,0,0,0|1,0,0]=3 2182 B8R0.5 CSCC(=O)OC(C)C 62a_200000210301_100011215430 [0,1,1,0,0,0|1,0,0]=3 2183 B8R0.5 CSCC(C)CN(C)C 62a_100015348159_200000210301 [0,1,1,0,0,0|2,0,0]=4 2184 B8R0.5 CSCC(C)CN(C)C 62a_200000210301_100015348159 [0,1,1,0,0,0|2,0,0]=4 2185 B8R0.5 CSCN(C)CC(=O)N 2230a_100000739694_100011218213 [0,1,1,0,0,0|2,0,0]=4 2186 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,1,1,0,0,0|2,0,0]=4 2187 B8R0.5 CSCN(C)CC(C)C 2230a_100000747067_100011218213 [0,1,1,0,0,0|2,0,0]=4 2188 B8R0.5 CSCN(C)CC(C)C 269982a_100000747067_100011218213 [0,1,1,0,0,0|2,0,0]=4 2189 B8R0.5 C[C@@H](O)CC(=O)CC#N 1458a_100011933948_100011214920 [0,1,1,0,0,0|1,0,1]=4 2190 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [0,1,1,0,0,0|1,0,0]=3 2191 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [0,1,1,0,0,0|1,0,0]=3 2192 B8R0.5 C[S+](C)CC(=O)CC#N 1458a_200159257847_100011214920 [0,1,1,0,0,0|1,0,1]=4 2193 B8R0.5 C[S+](C)CC(=O)CCF 1458a_200159257847_100011217306 [0,1,1,0,0,0|1,0,0]=3 2194 B8R0.5 C[S+](C)CC(=O)CCO 1458a_200159257847_100000211926 [0,1,1,0,0,0|1,0,0]=3 2195 B8R0.5 O=C(CCO)CC(F)F 1458a_100011216618_100011934356 [0,1,1,0,0,0|2,0,0]=4 2196 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,1,1,0,0,0|2,0,0]=4 2197 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,1,1,0,0,0|2,0,0]=4 2198 B8R0.16 C=C(C)CN(CC)CC 2230a_100000211296_100000210202 [0,1,1,0,0,0|2,0,0]=4 2199 B8R0.16 C=C(C)CN(CC)CC 2230a_100000724800_100000748629 [0,1,1,0,0,0|2,0,0]=4 2200 B8R0.16 C=C(C)CN(CC)CC 269956a_100000042499_100000748629 [0,1,1,0,0,0|2,0,0]=4 2201 B8R0.16 C=C(C)CN(CC)CC 269982a_100000211296_100000204670 [0,1,1,0,0,0|2,0,0]=4 2202 B8R0.16 C=C(C)CN(CC)CC 269982a_100000724800_100000748629 [0,1,1,0,0,0|2,0,0]=4 2203 B8R0.16 C=C(C)CN(CC)CF 269982a_100000211296_100015361967 [0,1,1,0,0,0|2,0,0]=4 2204 B8R0.16 CC(=O)NC(CO)CO 240690a_100000759517_100015343762 [0,1,1,0,0,0|2,0,0]=4 2205 B8R0.16 CC(=O)NC(CO)CO 527a_100000759517_100103153847 [0,1,1,0,0,0|2,0,0]=4 2206 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [0,1,1,0,0,0|0,0,0]=2 2207 B8R0.16 CCC(CC)CN(C)C 2230a_100102631434_100011215472 [0,1,1,0,0,0|2,0,0]=4 2208 B8R0.16 CCC(CC)CN(C)C 269982a_100102631434_100011215472 [0,1,1,0,0,0|2,0,0]=4 2209 B8R0.16 CCC(CC)CN(C)C 270004a_100102631434_100000211137 [0,1,1,0,0,0|2,0,0]=4 2210 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [0,1,1,0,0,0|1,0,0]=3 2211 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [0,1,1,0,0,0|1,0,0]=3 2212 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [0,1,1,0,0,0|1,0,0]=3 2213 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [0,1,1,0,0,0|1,0,0]=3 2214 B8R0.16 CCN(CC)CC(=O)C 1458a_100000758533_200000210301 [0,1,1,0,0,0|1,0,0]=3 2215 B8R0.16 CCN(CC)CC(=O)N 2230a_100000724800_100000747473 [0,1,1,0,0,0|2,0,0]=4 2216 B8R0.16 CCN(CC)CC(=O)N 269956a_100000042499_100000187820 [0,1,1,0,0,0|2,0,0]=4 2217 B8R0.16 CCN(CC)CC(=O)N 269982a_100000724800_100000187820 [0,1,1,0,0,0|2,0,0]=4 2218 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [0,1,1,0,0,0|2,0,0]=4 2219 B8R0.16 CCN(CC)CC(=O)[13CH3] 1458a_100000758533_200025704644 [0,1,1,0,0,0|1,0,0]=3 2220 B8R0.16 CCN(CC)CC(=O)[O-] 269956a_100000042499_100020667443 [0,1,1,0,0,0|2,0,0]=4 2221 B8R0.16 CCN(CC)CC(=O)[O-] 269982a_100000724800_100020667443 [0,1,1,0,0,0|2,0,0]=4 2222 B8R0.16 CCN(CC)CC(C)C 2230a_100000724800_100000210760 [0,1,1,0,0,0|2,0,0]=4 2223 B8R0.16 CCN(CC)CC(C)C 2230a_100000738554_100000210202 [0,1,1,0,0,0|2,0,0]=4 2224 B8R0.16 CCN(CC)CC(C)C 269956a_100000042499_100000210760 [0,1,1,0,0,0|2,0,0]=4 2225 B8R0.16 CCN(CC)CC(C)C 269982a_100000724800_100000210624 [0,1,1,0,0,0|2,0,0]=4 2226 B8R0.16 CCN(CC)CC(C)C 269982a_100000738554_100000204670 [0,1,1,0,0,0|2,0,0]=4 2227 B8R0.16 CCN(CC)CC(C)C 270004a_100000724800_100000210432 [0,1,1,0,0,0|2,0,0]=4 2228 B8R0.16 CCN(CF)CC(=O)O 269956a_100000746405_100015361967 [0,1,1,0,0,0|2,0,0]=4 2229 B8R0.16 CCN(CF)CC(C)C 269982a_100000738554_100015361967 [0,1,1,0,0,0|2,0,0]=4 2230 B8R0.16 CCN(CO)CC(=O)[O-] 269956a_100016989150_100000210202 [0,1,1,0,0,0|2,0,0]=4 2231 B8R0.16 CC[C@@H](CO)NC(=O)C 240690a_100000709445_100015343762 [0,1,1,0,0,0|1,0,0]=3 2232 B8R0.16 CC[C@@H](CO)NC(=O)C 527a_100000709445_100103153847 [0,1,1,0,0,0|1,0,0]=3 2233 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,1,1,0,0,0|1,0,0]=3 2234 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,1,1,0,0,0|1,0,0]=3 2235 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [0,1,1,0,0,0|2,0,0]=4 2236 B8R0.16 COC(CC(=O)C)OC 1458a_100000070787_100000751394 [0,1,1,0,0,0|1,0,0]=3 2237 B8R0.16 COC(CC(=O)C)OC 1458a_100000082724_200000210301 [0,1,1,0,0,0|1,0,0]=3 2238 B8R0.16 COC(CC(=O)[13CH3])OC 1458a_100000082724_200025704644 [0,1,1,0,0,0|1,0,0]=3 2239 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [0,1,1,0,0,0|2,0,0]=4 2240 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [0,1,1,0,0,0|0,0,1]=3 2241 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [0,1,1,0,0,0|1,0,1]=4 2242 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [0,1,1,0,0,0|0,0,1]=3 2243 B8R0.19 C#CC(=O)C[C@@H](C)CO 1458a_100000211873_100000059175 [0,1,1,0,0,0|0,0,2]=4 2244 B8R0.19 C#CC(C)NC(=O)CC 11a_100000707721_100000210414 [0,1,1,0,0,0|1,0,1]=4 2245 B8R0.19 C#CC(C)NC(=O)CC 1626a_100000707721_100000210414 [0,1,1,0,0,0|1,0,1]=4 2246 B8R0.19 C#CC(C)NC(=O)CC 240690a_100000707721_100000210414 [0,1,1,0,0,0|1,0,1]=4 2247 B8R0.19 C#CC(C)NC(=O)CC 527a_100000707721_100000210414 [0,1,1,0,0,0|1,0,1]=4 2248 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,1,1,0,0,0|0,0,1]=3 2249 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [0,1,1,0,0,0|1,0,1]=4 2250 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,1,1,0,0,0|0,0,1]=3 2251 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [0,1,1,0,0,0|0,0,2]=4 2252 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [0,1,1,0,0,0|1,0,1]=4 2253 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [0,1,1,0,0,0|1,0,1]=4 2254 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,1,1,0,0,0|0,0,1]=3 2255 B8R0.19 C=CC(C)CC(=O)CF 1458a_100011934298_100015361967 [0,1,1,0,0,0|0,0,2]=4 2256 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [0,1,1,0,0,0|0,0,2]=4 2257 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [0,1,1,0,0,0|0,0,2]=4 2258 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [0,1,1,0,0,0|0,0,2]=4 2259 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [0,1,1,0,0,0|0,0,2]=4 2260 B8R0.19 CCC(=CC(=O)CF)C 1458a_100020758463_100015361967 [0,1,1,0,0,0|0,0,2]=4 2261 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,1,1,0,0,0|0,0,2]=4 2262 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,1,1,0,0,0|0,0,2]=4 2263 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,1,1,0,0,0|0,0,2]=4 2264 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,1,1,0,0,0|0,0,2]=4 2265 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,1,1,0,0,0|1,0,1]=4 2266 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,1,1,0,0,0|1,0,1]=4 2267 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,1,1,0,0,0|1,0,1]=4 2268 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,1,1,0,0,0|1,0,1]=4 2269 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,1,1,0,0,0|1,0,1]=4 2270 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,1,1,0,0,0|0,0,0]=2 2271 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,1,1,0,0,0|0,0,0]=2 2272 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,1,1,0,0,0|1,0,0]=3 2273 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,1,1,0,0,0|1,0,0]=3 2274 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,1,1,0,0,0|1,0,0]=3 2275 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,1,1,0,0,0|1,0,0]=3 2276 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,1,1,0,0,0|0,0,0]=2 2277 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,1,1,0,0,0|0,0,0]=2 2278 B8R0.19 CCC(=O)NC(C)C#N 11a_100000737613_100000210414 [0,1,1,0,0,0|1,0,1]=4 2279 B8R0.19 CCC(=O)NC(C)C#N 1626a_100000737613_100000210414 [0,1,1,0,0,0|1,0,1]=4 2280 B8R0.19 CCC(=O)NC(C)C#N 527a_100000737613_100000210414 [0,1,1,0,0,0|1,0,1]=4 2281 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,1,1,0,0,0|1,0,0]=3 2282 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,1,1,0,0,0|1,0,0]=3 2283 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,1,1,0,0,0|1,0,0]=3 2284 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,1,1,0,0,0|1,0,0]=3 2285 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [0,1,1,0,0,0|1,0,0]=3 2286 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [0,1,1,0,0,0|1,0,0]=3 2287 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [0,1,1,0,0,0|1,0,0]=3 2288 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [0,1,1,0,0,0|1,0,0]=3 2289 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,1,1,0,0,0|1,0,0]=3 2290 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,1,1,0,0,0|1,0,0]=3 2291 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,1,1,0,0,0|0,0,0]=2 2292 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,1,1,0,0,0|0,0,0]=2 2293 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,1,1,0,0,0|0,0,0]=2 2294 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,1,1,0,0,0|0,0,0]=2 2295 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,1,1,0,0,0|0,0,0]=2 2296 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,1,1,0,0,0|0,0,0]=2 2297 B8R0.19 CCC(C)CC(C)NC 2230a_100000763565_200000210301 [0,1,1,0,0,0|1,0,1]=4 2298 B8R0.19 CCC(C)CC(C)NC 270004a_106832991635_100011710205 [0,1,1,0,0,0|1,0,1]=4 2299 B8R0.19 CCC(C)CC(C)N[13CH3] 2230a_100000763565_200025704644 [0,1,1,0,0,0|1,0,1]=4 2300 B8R0.19 CCC(C)CN(C)CC 2230a_100000225621_100000748023 [0,1,1,0,0,0|2,0,0]=4 2301 B8R0.19 CCC(C)CN(C)CC 2230a_100000753921_100000210202 [0,1,1,0,0,0|2,0,0]=4 2302 B8R0.19 CCC(C)CN(C)CC 269982a_100000225621_100000748023 [0,1,1,0,0,0|2,0,0]=4 2303 B8R0.19 CCC(C)CN(C)CC 269982a_100000753921_100000204670 [0,1,1,0,0,0|2,0,0]=4 2304 B8R0.19 CCC(C)CN(C)CF 269982a_100000753921_100015361967 [0,1,1,0,0,0|2,0,0]=4 2305 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,1,1,0,0,0|1,0,0]=3 2306 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,1,1,0,0,0|1,0,0]=3 2307 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,1,1,0,0,0|1,0,0]=3 2308 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,1,1,0,0,0|1,0,0]=3 2309 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,1,1,0,0,0|1,0,0]=3 2310 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,1,1,0,0,0|1,0,0]=3 2311 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,1,1,0,0,0|1,0,0]=3 2312 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,1,1,0,0,0|1,0,0]=3 2313 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,1,1,0,0,0|1,0,0]=3 2314 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,1,1,0,0,0|1,0,0]=3 2315 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,1,1,0,0,0|1,0,0]=3 2316 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,1,1,0,0,0|1,0,0]=3 2317 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [0,1,1,0,0,0|1,0,0]=3 2318 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [0,1,1,0,0,0|1,0,0]=3 2319 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [0,1,1,0,0,0|1,0,0]=3 2320 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [0,1,1,0,0,0|1,0,0]=3 2321 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [0,1,1,0,0,0|1,0,0]=3 2322 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [0,1,1,0,0,0|1,0,0]=3 2323 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,1,1,0,0,0|1,0,0]=3 2324 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,1,1,0,0,0|1,0,0]=3 2325 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,1,1,0,0,0|1,0,0]=3 2326 B8R0.19 CCN(C)C[C@@H](C)CO 2230a_100000225621_100000059175 [0,1,1,0,0,0|2,0,0]=4 2327 B8R0.19 CCN(C)C[C@@H](C)CO 269982a_100000225621_100000059175 [0,1,1,0,0,0|2,0,0]=4 2328 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,1,1,0,0,0|0,0,0]=2 2329 B8R0.19 CC[C@H](C)CN(C)CC 2230a_100000225621_100009816398 [0,1,1,0,0,0|2,0,0]=4 2330 B8R0.19 CC[C@H](C)CN(C)CC 269982a_100000225621_100009816398 [0,1,1,0,0,0|2,0,0]=4 2331 B8R0.19 CNC(=O)N[C@H](C)CF 2708a_100102657272_100102880703 [0,1,1,0,0,0|2,0,0]=4 2332 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102657272_100102880703 [0,1,1,0,0,0|2,0,0]=4 2333 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102880703_100102657272 [0,1,1,0,0,0|2,0,0]=4 2334 B8R0.19 CNC(=O)N[C@H](C)CF 512a_100102880703_100102657272 [0,1,1,0,0,0|2,0,0]=4 2335 B8R0.19 CNC(=O)N[C@H](C)CF 512a_106832991638_100102880703 [0,1,1,0,0,0|2,0,0]=4 2336 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [0,1,1,0,0,0|2,0,0]=4 2337 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [0,1,1,0,0,0|2,0,0]=4 2338 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [0,1,1,0,0,0|2,0,0]=4 2339 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [0,1,1,0,0,0|2,0,0]=4 2340 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,1,1,0,0,0|1,0,0]=3 2341 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,1,1,0,0,0|1,0,0]=3 2342 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,1,1,0,0,0|1,0,0]=3 2343 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,1,1,0,0,0|1,0,0]=3 2344 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,1,1,0,0,0|1,0,0]=3 2345 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,1,1,0,0,0|1,0,0]=3 2346 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,1,1,0,0,0|1,0,0]=3 2347 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,1,1,0,0,0|1,0,0]=3 2348 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,1,1,0,0,0|1,0,0]=3 2349 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [0,1,1,0,0,0|2,0,0]=4 2350 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [0,1,1,0,0,0|2,0,0]=4 2351 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [0,1,1,0,0,0|2,0,0]=4 2352 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [0,1,1,0,0,0|2,0,0]=4 2353 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,1,1,0,0,0|0,0,1]=3 2354 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [0,1,1,0,0,0|1,0,1]=4 2355 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [0,1,1,0,0,0|1,0,1]=4 2356 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [0,1,1,0,0,0|1,0,1]=4 2357 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [0,1,1,0,0,0|0,0,2]=4 2358 B8R0.23 C=C(C)CC(=O)C(C)F 1458a_100000062450_100000748629 [0,1,1,0,0,0|0,0,2]=4 2359 B8R0.23 C=C(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748629 [0,1,1,0,0,0|0,0,2]=4 2360 B8R0.23 C=C(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748629 [0,1,1,0,0,0|0,0,2]=4 2361 B8R0.23 C=C(C)CN(C)C(C)C 2230a_100000225649_100000210206 [0,1,1,0,0,0|2,0,0]=4 2362 B8R0.23 C=C(C)CN(C)C(C)C 269982a_100000225649_100000210206 [0,1,1,0,0,0|2,0,0]=4 2363 B8R0.23 C=C(C)CN(C)C(C)C 269982a_200000211004_100000748629 [0,1,1,0,0,0|2,0,0]=4 2364 B8R0.23 CC(=CC(=O)C(C)C)C 1458a_100000211388_100000210206 [0,1,1,0,0,0|0,0,2]=4 2365 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [0,1,1,0,0,0|1,0,1]=4 2366 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,1,1,0,0,0|1,0,1]=4 2367 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,1,1,0,0,0|1,0,1]=4 2368 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,1,1,0,0,0|1,0,0]=3 2369 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,1,1,0,0,0|1,0,1]=4 2370 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,1,1,0,0,0|1,0,0]=3 2371 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,1,1,0,0,0|1,0,1]=4 2372 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,1,1,0,0,0|1,0,0]=3 2373 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,1,1,0,0,0|1,0,0]=3 2374 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,1,1,0,0,0|1,0,0]=3 2375 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,1,1,0,0,0|1,0,0]=3 2376 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,1,1,0,0,0|1,0,1]=4 2377 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,1,1,0,0,0|1,0,1]=4 2378 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,1,1,0,0,0|1,0,1]=4 2379 B8R0.23 CC(=O)OC(C)N(C)C 269982a_100102631434_100009818208 [0,1,1,0,0,0|2,0,0]=4 2380 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,1,1,0,0,0|1,0,1]=4 2381 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,1,1,0,0,0|1,0,1]=4 2382 B8R0.23 CC(C)C(=O)CC(F)F 1458a_100000210198_100011934356 [0,1,1,0,0,0|2,0,0]=4 2383 B8R0.23 CC(C)C(=O)CN(C)C 1458a_100000750896_100000210206 [0,1,1,0,0,0|1,0,0]=3 2384 B8R0.23 CC(C)C(=O)CN(C)C 2230a_100102631434_100000753385 [0,1,1,0,0,0|1,0,0]=3 2385 B8R0.23 CC(C)C(=O)CN(C)C 269982a_100102631434_100000753385 [0,1,1,0,0,0|1,0,0]=3 2386 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,1,1,0,0,0|1,0,0]=3 2387 B8R0.23 CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000210206 [0,1,1,0,0,0|1,0,0]=3 2388 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [0,1,1,0,0,0|0,0,0]=2 2389 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [0,1,1,0,0,0|0,0,0]=2 2390 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [0,1,1,0,0,0|0,0,0]=2 2391 B8R0.23 CC(C)CC(=O)C(O)O 1458a_100000233687_100000210624 [0,1,1,0,0,0|1,0,0]=3 2392 B8R0.23 CC(C)CC(=O)N(C)C 11a_100102631434_100000210554 [0,1,1,0,0,0|1,0,0]=3 2393 B8R0.23 CC(C)CC(=O)N(C)C 1626a_100102631434_100000210554 [0,1,1,0,0,0|1,0,0]=3 2394 B8R0.23 CC(C)CC(=O)N(C)C 240690a_100102631434_100000210554 [0,1,1,0,0,0|1,0,0]=3 2395 B8R0.23 CC(C)CC(=O)N(C)C 527a_100102631434_100000210554 [0,1,1,0,0,0|1,0,0]=3 2396 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,1,1,0,0,0|0,0,0]=2 2397 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,1,1,0,0,0|0,0,0]=2 2398 B8R0.23 CC(C)CN(C)C(C)C 2230a_100000737641_200000210301 [0,1,1,0,0,0|2,0,0]=4 2399 B8R0.23 CC(C)CN(C)C(C)C 2230a_100000747067_100000210206 [0,1,1,0,0,0|2,0,0]=4 2400 B8R0.23 CC(C)CN(C)C(C)C 269982a_100000737641_200000210301 [0,1,1,0,0,0|2,0,0]=4 2401 B8R0.23 CC(C)CN(C)C(C)C 269982a_100000747067_100000210206 [0,1,1,0,0,0|2,0,0]=4 2402 B8R0.23 CC(C)CN(C)C(C)C 269982a_200000211004_100000210624 [0,1,1,0,0,0|2,0,0]=4 2403 B8R0.23 CC(C)CN(C)C(C)C 270004a_200000211004_100000210432 [0,1,1,0,0,0|2,0,0]=4 2404 B8R0.23 CC(C)CN([13CH3])C(C)C 2230a_100000737641_200025704644 [0,1,1,0,0,0|2,0,0]=4 2405 B8R0.23 CC(C)CN([13CH3])C(C)C 269982a_100000737641_200025704644 [0,1,1,0,0,0|2,0,0]=4 2406 B8R0.23 CC(C)N(C)CC(=O)N 2230a_100000739694_100000210206 [0,1,1,0,0,0|2,0,0]=4 2407 B8R0.23 CC(C)N(C)CC(=O)N 269982a_200000211004_100000187820 [0,1,1,0,0,0|2,0,0]=4 2408 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,1,1,0,0,0|2,0,0]=4 2409 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,1,1,0,0,0|1,0,0]=3 2410 B8R0.23 CC(C)N(C)CC(=O)[O-] 269982a_200000211004_100020667443 [0,1,1,0,0,0|2,0,0]=4 2411 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,1,1,0,0,0|1,0,1]=4 2412 B8R0.23 CC(C)NC(=O)C(C)C 11a_100138425928_100000210198 [0,1,1,0,0,0|1,0,0]=3 2413 B8R0.23 CC(C)NC(=O)C(C)C 1626a_100138425928_100000210198 [0,1,1,0,0,0|1,0,0]=3 2414 B8R0.23 CC(C)NC(=O)C(C)C 240690a_100138425928_100000210198 [0,1,1,0,0,0|1,0,0]=3 2415 B8R0.23 CC(C)NC(=O)C(C)C 527a_100138425928_100000210198 [0,1,1,0,0,0|1,0,0]=3 2416 B8R0.23 CC(C)NC(=O)C(C)F 11a_100138425928_100000062450 [0,1,1,0,0,0|1,0,0]=3 2417 B8R0.23 CC(C)NC(=O)C(C)F 1626a_100138425928_100000062450 [0,1,1,0,0,0|1,0,0]=3 2418 B8R0.23 CC(C)NC(=O)C(C)F 240690a_100138425928_100000062450 [0,1,1,0,0,0|1,0,0]=3 2419 B8R0.23 CC(C)NC(=O)C(C)F 527a_100138425928_100000062450 [0,1,1,0,0,0|1,0,0]=3 2420 B8R0.23 CC(C)NC(=O)C(F)F 11a_100138425928_100000210393 [0,1,1,0,0,0|2,0,0]=4 2421 B8R0.23 CC(C)NC(=O)C(F)F 1626a_100138425928_100000210393 [0,1,1,0,0,0|2,0,0]=4 2422 B8R0.23 CC(C)NC(=O)C(F)F 240690a_100138425928_100000210393 [0,1,1,0,0,0|2,0,0]=4 2423 B8R0.23 CC(C)NC(=O)C(F)F 527a_100138425928_100000210393 [0,1,1,0,0,0|2,0,0]=4 2424 B8R0.23 CC(C)NC(=O)C(O)O 240690a_100138425928_100000233687 [0,1,1,0,0,0|2,0,0]=4 2425 B8R0.23 CC(C)NC(=O)N(C)C 2708a_100138425928_100102631434 [0,1,1,0,0,0|2,0,0]=4 2426 B8R0.23 CC(C)NC(=O)[C@@H](C)O 240690a_100138425928_100000717761 [0,1,1,0,0,0|1,0,0]=3 2427 B8R0.23 CC(C)NC(=O)[C@H](C)O 1626a_100138425928_217856618621 [0,1,1,0,0,0|1,0,0]=3 2428 B8R0.23 CC(C)NC(=O)[C@H](C)O 240690a_100138425928_217856618621 [0,1,1,0,0,0|1,0,0]=3 2429 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,1,1,0,0,0|1,0,0]=3 2430 B8R0.23 CC(F)C(=O)CC(F)F 1458a_100000062450_100011934356 [0,1,1,0,0,0|2,0,0]=4 2431 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,1,1,0,0,0|1,0,0]=3 2432 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [0,1,1,0,0,0|1,0,0]=3 2433 B8R0.23 CC(O)CC(=O)C(O)O 1458a_100000233687_100011218427 [0,1,1,0,0,0|2,0,0]=4 2434 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [0,1,1,0,0,0|1,0,0]=3 2435 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [0,1,1,0,0,0|1,0,0]=3 2436 B8R0.23 CN(C)C(=O)C[S+](C)C 11a_100102631434_200159257847 [0,1,1,0,0,0|2,0,0]=4 2437 B8R0.23 CN(C)C(=O)C[S+](C)C 1626a_100102631434_200159257847 [0,1,1,0,0,0|2,0,0]=4 2438 B8R0.23 CN(C)C(=O)C[S+](C)C 240690a_100102631434_200159257847 [0,1,1,0,0,0|2,0,0]=4 2439 B8R0.23 CN(C)C(=O)C[S+](C)C 527a_100102631434_200159257847 [0,1,1,0,0,0|2,0,0]=4 2440 B8R0.23 CN(C)CC(=O)N(C)C 11a_100102631434_100000750896 [0,1,1,0,0,0|2,0,0]=4 2441 B8R0.23 CN(C)CC(=O)N(C)C 2230a_100000185065_200000210301 [0,1,1,0,0,0|2,0,0]=4 2442 B8R0.23 CN(C)CC(=O)N(C)C 2230a_100102631434_100000185267 [0,1,1,0,0,0|2,0,0]=4 2443 B8R0.23 CN(C)CC(=O)N(C)C 240690a_100102631434_100000750896 [0,1,1,0,0,0|2,0,0]=4 2444 B8R0.23 CN(C)CC(=O)N(C)C 269982a_100102631434_100000185267 [0,1,1,0,0,0|2,0,0]=4 2445 B8R0.23 CN(C)CC(=O)N(C)C 527a_100102631434_100000750896 [0,1,1,0,0,0|2,0,0]=4 2446 B8R0.23 CN([13CH3])CC(=O)N(C)C 2230a_100000185065_200025704644 [0,1,1,0,0,0|2,0,0]=4 2447 B8R0.23 C[C@@H](O)C(=O)CC(F)F 1458a_100000717761_100011934356 [0,1,1,0,0,0|2,0,0]=4 2448 B8R0.23 C[C@@H](O)CC(=O)N(C)C 240690a_100102631434_100011933948 [0,1,1,0,0,0|2,0,0]=4 2449 B8R0.23 C[C@H](O)C(=O)CC(F)F 1458a_217856618621_100011934356 [0,1,1,0,0,0|2,0,0]=4 2450 B8R0.24 CC(C)(C)CC(=O)CF 1458a_100000211214_100015361967 [0,1,1,0,0,0|1,0,0]=3 2451 B8R0.24 CC(C)(C)NC(=O)CO 240690a_100000715429_100000210174 [0,1,1,0,0,0|2,0,0]=4 2452 B8R0.24 CC(C)(C)NC(=O)CO 527a_100000715429_100000210174 [0,1,1,0,0,0|2,0,0]=4 2453 B8R0.24 CC(C)(O)CC(=O)CF 1458a_100000693243_100015361967 [0,1,1,0,0,0|1,0,0]=3 2454 B8R0.24 CCC(=O)CC(C)(C)C 1458a_100000211214_100000210202 [0,1,1,0,0,0|0,0,0]=2 2455 B8R0.24 CCC(=O)CC(C)(C)O 1458a_100000693243_100000210202 [0,1,1,0,0,0|0,0,0]=2 2456 B8R0.24 CCC(=O)CC(F)(F)F 1458a_100000245130_100000210202 [0,1,1,0,0,0|2,0,0]=4 2457 B8R0.24 CCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210202 [0,1,1,0,0,0|2,0,0]=4 2458 B8R0.24 CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210202 [0,1,1,0,0,0|1,0,0]=3 2459 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100000210414_100000233785 [0,1,1,0,0,0|0,1,0]=3 2460 B8R0.24 CCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210202 [0,1,1,0,0,0|0,1,0]=3 2461 B8R0.24 CCC(=O)NC(C)(C)C 11a_100000715429_100000210414 [0,1,1,0,0,0|1,0,0]=3 2462 B8R0.24 CCC(=O)NC(C)(C)C 1626a_100000715429_100000210414 [0,1,1,0,0,0|1,0,0]=3 2463 B8R0.24 CCC(=O)NC(C)(C)C 240690a_100000715429_100000210414 [0,1,1,0,0,0|1,0,0]=3 2464 B8R0.24 CCC(=O)NC(C)(C)C 527a_100000715429_100000210414 [0,1,1,0,0,0|1,0,0]=3 2465 B8R0.24 CCC(C)NS(=O)(=O)C 40a_100000209981_100000738038 [0,1,1,0,0,0|2,0,0]=4 2466 B8R0.24 CCN(C)CC(C)(C)C 2230a_100000732750_200000210301 [0,1,1,0,0,0|2,0,0]=4 2467 B8R0.24 CCN(C)CC(C)(C)C 2230a_100000742839_100000210202 [0,1,1,0,0,0|2,0,0]=4 2468 B8R0.24 CCN(C)CC(C)(C)C 269982a_100000732750_200000210301 [0,1,1,0,0,0|2,0,0]=4 2469 B8R0.24 CCN(C)CC(C)(C)C 269982a_100000742839_100000204670 [0,1,1,0,0,0|2,0,0]=4 2470 B8R0.24 CCN(C)CC(C)(C)O 2230a_100000755687_200000210301 [0,1,1,0,0,0|2,0,0]=4 2471 B8R0.24 CCN(C)CC(C)(C)O 2230a_100000755907_100000210202 [0,1,1,0,0,0|2,0,0]=4 2472 B8R0.24 CCN(C)CC(C)(C)O 269982a_100000755687_200000210301 [0,1,1,0,0,0|2,0,0]=4 2473 B8R0.24 CCN(C)CC(C)(C)O 269982a_100000755907_100000204670 [0,1,1,0,0,0|2,0,0]=4 2474 B8R0.24 CCN([13CH3])CC(C)(C)C 2230a_100000732750_200025704644 [0,1,1,0,0,0|2,0,0]=4 2475 B8R0.24 CCN([13CH3])CC(C)(C)C 269982a_100000732750_200025704644 [0,1,1,0,0,0|2,0,0]=4 2476 B8R0.24 CCN([13CH3])CC(C)(C)O 2230a_100000755687_200025704644 [0,1,1,0,0,0|2,0,0]=4 2477 B8R0.24 CCN([13CH3])CC(C)(C)O 269982a_100000755687_200025704644 [0,1,1,0,0,0|2,0,0]=4 2478 B8R0.24 CNC(=O)CC(C)(C)C 11a_106832991635_100000211214 [0,1,1,0,0,0|1,0,0]=3 2479 B8R0.24 CNC(=O)CC(C)(C)C 1626a_100102657272_100000211214 [0,1,1,0,0,0|1,0,0]=3 2480 B8R0.24 CNC(=O)CC(C)(C)C 240690a_100102657272_100000211214 [0,1,1,0,0,0|1,0,0]=3 2481 B8R0.24 CNC(=O)CC(C)(C)C 527a_100102657272_100000211214 [0,1,1,0,0,0|1,0,0]=3 2482 B8R0.24 CNC(=O)CC(C)(C)O 527a_100102657272_100000693243 [0,1,1,0,0,0|1,0,0]=3 2483 B8R0.24 CNC(=O)C[N+](C)(C)C 11a_106832991635_100000033712 [0,1,1,0,0,0|2,0,0]=4 2484 B8R0.24 CNC(=O)C[N+](C)(C)C 1626a_100102657272_100000033712 [0,1,1,0,0,0|2,0,0]=4 2485 B8R0.24 CNC(=O)C[N+](C)(C)C 240690a_100102657272_100000033712 [0,1,1,0,0,0|2,0,0]=4 2486 B8R0.24 CNC(=O)C[N+](C)(C)C 527a_100102657272_100000033712 [0,1,1,0,0,0|2,0,0]=4 2487 B8R0.24 CNC(=O)C[Si](C)(C)C 11a_106832991635_100011218504 [0,1,1,0,0,0|1,1,0]=4 2488 B8R0.24 CNC(=O)C[Si](C)(C)C 1626a_100102657272_100011218504 [0,1,1,0,0,0|1,1,0]=4 2489 B8R0.24 CNC(=O)NC(C)(C)C 2708a_100102657272_100000715429 [0,1,1,0,0,0|2,0,0]=4 2490 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100000715429_100102657272 [0,1,1,0,0,0|2,0,0]=4 2491 B8R0.24 CNC(=O)NC(C)(C)C 273464a_100102657272_100000715429 [0,1,1,0,0,0|2,0,0]=4 2492 B8R0.24 CNC(=O)NC(C)(C)C 512a_100000715429_100102657272 [0,1,1,0,0,0|2,0,0]=4 2493 B8R0.24 C[N+](C)(C)CC(=O)CF 1458a_100000033712_100015361967 [0,1,1,0,0,0|2,0,0]=4 2494 B8R0.24 C[Si](C)(C)CC(=O)CF 1458a_100011218504_100015361967 [0,1,1,0,0,0|1,1,0]=4 2495 B8R0.24 C[Si](C)(C)CC(=O)CO 1458a_100000210174_100000233785 [0,1,1,0,0,0|1,1,0]=4 2496 B8R0.34 CC(=O)CC(C)(C)O[13CH3] 7a_100000210262_200025704644 [0,1,1,0,0,0|1,0,0]=3 2497 B8R0.34 CC(=O)NC(C)(C)CO 240690a_100000210608_100015343762 [0,1,1,0,0,0|2,0,0]=4 2498 B8R0.34 CC(=O)NC(C)(C)CO 527a_100020618417_100103153847 [0,1,1,0,0,0|2,0,0]=4 2499 B8R0.34 CC(C)(CC(=O)N)N[13CH3] 2230a_100000763158_200025704644 [0,1,1,0,0,0|2,0,0]=4 2500 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [0,1,1,0,0,0|2,0,0]=4 2501 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [0,1,1,0,0,0|0,0,0]=2 2502 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [0,1,1,0,0,0|0,0,0]=2 2503 B8R0.34 CCC(C)(C)NC(=O)C 11a_100000211385_100015343762 [0,1,1,0,0,0|1,0,0]=3 2504 B8R0.34 CCC(C)(C)NC(=O)C 1626a_100000211385_100015343762 [0,1,1,0,0,0|1,0,0]=3 2505 B8R0.34 CCC(C)(C)NC(=O)C 240690a_100000211385_100015343762 [0,1,1,0,0,0|1,0,0]=3 2506 B8R0.34 CCC(C)(C)NC(=O)C 527a_100000211385_100103153847 [0,1,1,0,0,0|1,0,0]=3 2507 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [0,1,1,0,0,0|0,0,0]=2 2508 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [0,1,1,0,0,0|0,0,0]=2 2509 B8R0.34 CCS(=O)(=O)CC(=O)C 1458a_100000744335_200000210301 [0,1,1,0,0,0|2,0,0]=4 2510 B8R0.34 CCS(=O)(=O)CC(=O)[13CH3] 1458a_100000744335_200025704644 [0,1,1,0,0,0|2,0,0]=4 2511 B8R0.34 CCS(=O)(=O)NC(C)C 270084a_100138425928_100000211323 [0,1,1,0,0,0|2,0,0]=4 2512 B8R0.34 CCS(=O)(=O)NC(C)C 274078a_100138425928_100000211323 [0,1,1,0,0,0|2,0,0]=4 2513 B8R0.34 CNC(C)(C)CC(=O)N 2230a_100000763158_200000210301 [0,1,1,0,0,0|2,0,0]=4 2514 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [0,1,1,0,0,0|2,0,0]=4 2515 B8R0.34 CNS(=O)(=O)CC(C)C 270084a_100102657272_100000748289 [0,1,1,0,0,0|2,0,0]=4 2516 B8R0.34 CNS(=O)(=O)CC(C)C 274078a_100102657272_100000748289 [0,1,1,0,0,0|2,0,0]=4 2517 B8R0.34 COC(C)(C)CC(=O)C 7a_100000210262_200000210301 [0,1,1,0,0,0|1,0,0]=3 2518 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,1,1,0,0,0|0,0,1]=3 2519 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [0,1,1,0,0,0|1,0,1]=4 2520 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [0,1,1,0,0,0|1,0,1]=4 2521 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [0,1,1,0,0,0|1,0,1]=4 2522 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [0,1,1,0,0,0|1,0,1]=4 2523 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [0,1,1,0,0,0|1,0,1]=4 2524 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,1,1,0,0,0|0,0,2]=4 2525 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,1,1,0,0,0|0,0,2]=4 2526 B8R0.6 C#CCCCC(=O)CF 1458a_100000690238_100015361967 [0,1,1,0,0,0|0,0,2]=4 2527 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [0,1,1,0,0,0|0,0,2]=4 2528 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [0,1,1,0,0,0|0,0,2]=4 2529 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [0,1,1,0,0,0|0,0,2]=4 2530 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [0,1,1,0,0,0|0,0,2]=4 2531 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [0,1,1,0,0,0|0,0,2]=4 2532 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,1,1,0,0,0|0,0,1]=3 2533 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [0,1,1,0,0,0|1,0,1]=4 2534 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,1,1,0,0,0|1,0,1]=4 2535 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [0,1,1,0,0,0|1,0,1]=4 2536 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [0,1,1,0,0,0|1,0,1]=4 2537 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [0,1,1,0,0,0|1,0,1]=4 2538 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,1,1,0,0,0|1,0,1]=4 2539 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,1,1,0,0,0|1,0,1]=4 2540 B8R0.6 C=CC(C)COCC=O 34a_100011215527_200009817547 [0,1,1,0,0,0|1,0,1]=4 2541 B8R0.6 C=CC(C)COCC=O 7a_100011215527_200015260668 [0,1,1,0,0,0|1,0,1]=4 2542 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,1,1,0,0,0|0,0,2]=4 2543 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,1,1,0,0,0|0,0,2]=4 2544 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [0,1,1,0,0,0|0,0,2]=4 2545 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,1,1,0,0,0|0,0,2]=4 2546 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [0,1,1,0,0,0|0,0,2]=4 2547 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [0,1,1,0,0,0|0,0,2]=4 2548 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [0,1,1,0,0,0|0,0,2]=4 2549 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [0,1,1,0,0,0|0,0,2]=4 2550 B8R0.6 C=CCCCN(C)CC 2230a_100000225621_100011713584 [0,1,1,0,0,0|2,0,0]=4 2551 B8R0.6 C=CCCCN(C)CC 269982a_100000225621_100000757094 [0,1,1,0,0,0|2,0,0]=4 2552 B8R0.6 C=CCCNC(C)CC 2230a_100000209981_100000754431 [0,1,1,0,0,0|2,0,0]=4 2553 B8R0.6 C=CCCNC(C)CC 2230a_100015191253_100000758301 [0,1,1,0,0,0|2,0,0]=4 2554 B8R0.6 C=CCCNC(C)CO 2230a_100015191253_100012180447 [0,1,1,0,0,0|2,0,0]=4 2555 B8R0.6 C=CCCN[C@H](C)CO 2230a_100000737577_100000754431 [0,1,1,0,0,0|2,0,0]=4 2556 B8R0.6 C=CCCOC(C)CC 34a_100011205117_100011215416 [0,1,1,0,0,0|2,0,0]=4 2557 B8R0.6 C=CCCOC(C)CC 7a_100000210228_100000754431 [0,1,1,0,0,0|2,0,0]=4 2558 B8R0.6 C=CCCOC(C)CF 34a_100016041109_100000754431 [0,1,1,0,0,0|2,0,0]=4 2559 B8R0.6 C=CCCOC(C)CF 7a_100016041109_100000754431 [0,1,1,0,0,0|2,0,0]=4 2560 B8R0.6 C=CCCOC(C)CN 34a_100000210904_100000754431 [0,1,1,0,0,0|2,0,0]=4 2561 B8R0.6 C=CCCOC(C)CO 34a_100011205117_100012180447 [0,1,1,0,0,0|2,0,0]=4 2562 B8R0.6 C=CCCSC(C)CC 62a_100000754431_100000758301 [0,1,1,0,0,0|2,0,0]=4 2563 B8R0.6 C=CCCSC(C)CC 62a_100000758301_100000754431 [0,1,1,0,0,0|2,0,0]=4 2564 B8R0.6 C=CCCSC(C)CO 62a_100012180447_100000754431 [0,1,1,0,0,0|2,0,0]=4 2565 B8R0.6 C=CCCSC(C)OC 62a_100000754431_100009879195 [0,1,1,0,0,0|2,0,0]=4 2566 B8R0.6 C=CCCSC(C)OC 62a_100009879195_100000754431 [0,1,1,0,0,0|2,0,0]=4 2567 B8R0.6 C=CCCS[C@H](C)CO 62a_100000754431_100016084084 [0,1,1,0,0,0|2,0,0]=4 2568 B8R0.6 C=CCCS[C@H](C)CO 62a_100016084084_100000754431 [0,1,1,0,0,0|2,0,0]=4 2569 B8R0.6 C=CCNCC(C)CC 2230a_100020586998_100000748023 [0,1,1,0,0,0|2,0,0]=4 2570 B8R0.6 C=CCNCC(C)CC 2230a_100020588543_100000210623 [0,1,1,0,0,0|2,0,0]=4 2571 B8R0.6 C=CCNCC(C)CC 270004a_100020586998_100000243153 [0,1,1,0,0,0|2,0,0]=4 2572 B8R0.6 C=CCNCC(C)CO 34a_100000744482_100015514636 [0,1,1,0,0,0|2,0,0]=4 2573 B8R0.6 C=CCNC[C@@H](C)CC 2230a_100020586998_100009816398 [0,1,1,0,0,0|2,0,0]=4 2574 B8R0.6 C=CCNC[C@@H](C)CO 2230a_100020586998_100000059175 [0,1,1,0,0,0|2,0,0]=4 2575 B8R0.6 C=CCNC[C@@H](C)OC 2230a_100020591295_100000210623 [0,1,1,0,0,0|2,0,0]=4 2576 B8R0.6 C=CCOCC(C)CC 34a_200000210373_100000748023 [0,1,1,0,0,0|2,0,0]=4 2577 B8R0.6 C=CCOCC(C)CN 34a_100000744482_100015514636 [0,1,1,0,0,0|2,0,0]=4 2578 B8R0.6 C=CCOCC(C)OC 34a_100000690652_100015514636 [0,1,1,0,0,0|2,0,0]=4 2579 B8R0.6 C=CCOC[C@@H](C)CC 34a_200000210373_100009816398 [0,1,1,0,0,0|2,0,0]=4 2580 B8R0.6 C=CCOC[C@@H](C)CC 7a_100009816381_100015514636 [0,1,1,0,0,0|2,0,0]=4 2581 B8R0.6 C=CCOC[C@@H](C)CO 34a_200000210373_100000059175 [0,1,1,0,0,0|2,0,0]=4 2582 B8R0.6 C=CCSCC(C)CC 62a_100000210623_100000748023 [0,1,1,0,0,0|2,0,0]=4 2583 B8R0.6 C=CCSCC(C)CC 62a_100000748023_100000210623 [0,1,1,0,0,0|2,0,0]=4 2584 B8R0.6 C=CCSC[C@@H](C)CC 62a_100000210623_100009816398 [0,1,1,0,0,0|2,0,0]=4 2585 B8R0.6 C=CCSC[C@@H](C)CC 62a_100009816398_100000210623 [0,1,1,0,0,0|2,0,0]=4 2586 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000059175_100000210623 [0,1,1,0,0,0|2,0,0]=4 2587 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000210623_100000059175 [0,1,1,0,0,0|2,0,0]=4 2588 B8R0.6 CC(CN)COCC=O 34a_100000744482_200009817547 [0,1,1,0,0,0|1,0,0]=3 2589 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [0,1,1,0,0,0|1,0,0]=3 2590 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,1,1,0,0,0|0,0,2]=4 2591 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [0,1,1,0,0,0|0,0,2]=4 2592 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,1,1,0,0,0|0,0,2]=4 2593 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,1,1,0,0,0|0,0,2]=4 2594 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,1,1,0,0,0|0,0,2]=4 2595 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,1,1,0,0,0|0,0,2]=4 2596 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,1,1,0,0,0|0,0,2]=4 2597 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,1,1,0,0,0|0,0,2]=4 2598 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [0,1,1,0,0,0|0,0,2]=4 2599 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [0,1,1,0,0,0|0,0,2]=4 2600 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,1,1,0,0,0|1,0,1]=4 2601 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,1,1,0,0,0|1,0,1]=4 2602 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,1,1,0,0,0|1,0,0]=3 2603 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,1,1,0,0,0|1,0,0]=3 2604 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,1,1,0,0,0|1,0,0]=3 2605 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,1,1,0,0,0|1,0,0]=3 2606 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,1,1,0,0,0|1,0,0]=3 2607 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,1,1,0,0,0|1,0,0]=3 2608 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,1,1,0,0,0|2,0,0]=4 2609 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,1,1,0,0,0|2,0,0]=4 2610 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,1,1,0,0,0|2,0,0]=4 2611 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,1,1,0,0,0|2,0,0]=4 2612 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,1,1,0,0,0|2,0,0]=4 2613 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,1,1,0,0,0|2,0,0]=4 2614 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,1,1,0,0,0|2,0,0]=4 2615 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,1,1,0,0,0|2,0,0]=4 2616 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,1,1,0,0,0|2,0,0]=4 2617 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,1,1,0,0,0|2,0,0]=4 2618 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,1,1,0,0,0|2,0,0]=4 2619 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,1,1,0,0,0|2,0,0]=4 2620 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,1,1,0,0,0|2,0,0]=4 2621 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,1,1,0,0,0|2,0,0]=4 2622 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,1,1,0,0,0|2,0,0]=4 2623 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,1,1,0,0,0|2,0,0]=4 2624 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,1,1,0,0,0|2,0,0]=4 2625 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,1,1,0,0,0|2,0,0]=4 2626 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,1,1,0,0,0|2,0,0]=4 2627 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,1,1,0,0,0|2,0,0]=4 2628 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,1,1,0,0,0|2,0,0]=4 2629 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,1,1,0,0,0|2,0,0]=4 2630 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,1,1,0,0,0|2,0,0]=4 2631 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,1,1,0,0,0|2,0,0]=4 2632 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,1,1,0,0,0|2,0,0]=4 2633 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,1,1,0,0,0|2,0,0]=4 2634 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,1,1,0,0,0|2,0,0]=4 2635 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,1,1,0,0,0|2,0,0]=4 2636 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,1,1,0,0,0|2,0,0]=4 2637 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,1,1,0,0,0|2,0,0]=4 2638 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,1,1,0,0,0|2,0,0]=4 2639 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,1,1,0,0,0|2,0,0]=4 2640 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,1,1,0,0,0|2,0,0]=4 2641 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [0,1,1,0,0,0|2,0,0]=4 2642 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [0,1,1,0,0,0|2,0,0]=4 2643 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [0,1,1,0,0,0|1,0,0]=3 2644 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [0,1,1,0,0,0|1,0,0]=3 2645 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [0,1,1,0,0,0|1,0,0]=3 2646 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [0,1,1,0,0,0|2,0,0]=4 2647 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [0,1,1,0,0,0|2,0,0]=4 2648 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [0,1,1,0,0,0|2,0,0]=4 2649 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,1,1,0,0,0|0,0,2]=4 2650 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [0,1,1,0,0,0|0,0,2]=4 2651 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [0,1,1,0,0,0|0,0,2]=4 2652 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,1,1,0,0,0|0,0,2]=4 2653 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,1,1,0,0,0|0,0,2]=4 2654 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,1,1,0,0,0|0,0,2]=4 2655 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,1,1,0,0,0|0,0,2]=4 2656 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,1,1,0,0,0|0,0,2]=4 2657 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,1,1,0,0,0|0,0,0]=2 2658 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,1,1,0,0,0|0,0,0]=2 2659 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,1,1,0,0,0|0,0,0]=2 2660 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,1,1,0,0,0|0,0,0]=2 2661 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,1,1,0,0,0|0,0,0]=2 2662 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,1,1,0,0,0|0,0,0]=2 2663 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,1,1,0,0,0|0,0,0]=2 2664 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,1,1,0,0,0|0,0,0]=2 2665 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [0,1,1,0,0,0|1,0,1]=4 2666 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [0,1,1,0,0,0|1,0,1]=4 2667 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [0,1,1,0,0,0|1,0,1]=4 2668 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [0,1,1,0,0,0|1,0,1]=4 2669 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [0,1,1,0,0,0|1,0,1]=4 2670 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [0,1,1,0,0,0|1,0,1]=4 2671 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,1,1,0,0,0|0,0,2]=4 2672 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,1,1,0,0,0|0,0,2]=4 2673 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,1,1,0,0,0|0,0,2]=4 2674 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,1,1,0,0,0|0,0,2]=4 2675 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,1,1,0,0,0|0,0,2]=4 2676 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,1,1,0,0,0|0,1,1]=4 2677 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,1,1,0,0,0|0,1,1]=4 2678 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,1,1,0,0,0|0,1,1]=4 2679 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,1,1,0,0,0|0,1,1]=4 2680 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [0,1,1,0,0,0|2,0,0]=4 2681 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [0,1,1,0,0,0|2,0,0]=4 2682 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [0,1,1,0,0,0|2,0,0]=4 2683 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [0,1,1,0,0,0|2,0,0]=4 2684 B8R0.6 CCCCCN(C)CF 269982a_100000223495_100015361967 [0,1,1,0,0,0|2,0,0]=4 2685 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,1,1,0,0,0|1,0,0]=3 2686 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,1,1,0,0,0|1,0,0]=3 2687 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,1,1,0,0,0|1,0,0]=3 2688 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,1,1,0,0,0|1,0,0]=3 2689 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,1,1,0,0,0|1,0,0]=3 2690 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,1,1,0,0,0|1,0,0]=3 2691 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,1,1,0,0,0|1,0,0]=3 2692 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,1,1,0,0,0|1,0,0]=3 2693 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,1,1,0,0,0|1,0,0]=3 2694 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,1,1,0,0,0|1,0,0]=3 2695 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,1,1,0,0,0|1,0,0]=3 2696 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,1,1,0,0,0|1,0,0]=3 2697 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,1,1,0,0,0|1,0,0]=3 2698 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,1,1,0,0,0|2,0,0]=4 2699 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,1,1,0,0,0|2,0,0]=4 2700 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [0,1,1,0,0,0|2,0,0]=4 2701 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [0,1,1,0,0,0|2,0,0]=4 2702 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [0,1,1,0,0,0|2,0,0]=4 2703 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,1,1,0,0,0|1,0,0]=3 2704 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,1,1,0,0,0|1,0,0]=3 2705 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,1,1,0,0,0|1,0,0]=3 2706 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,1,1,0,0,0|1,0,0]=3 2707 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,1,1,0,0,0|1,0,0]=3 2708 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,1,1,0,0,0|1,0,0]=3 2709 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,1,1,0,0,0|1,0,0]=3 2710 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,1,1,0,0,0|1,0,0]=3 2711 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,1,1,0,0,0|1,0,0]=3 2712 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,1,1,0,0,0|1,0,0]=3 2713 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,1,1,0,0,0|1,0,0]=3 2714 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,1,1,0,0,0|1,0,0]=3 2715 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,1,1,0,0,0|1,0,0]=3 2716 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,1,1,0,0,0|1,0,0]=3 2717 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,1,1,0,0,0|1,0,0]=3 2718 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,1,1,0,0,0|1,0,0]=3 2719 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,1,1,0,0,0|1,0,0]=3 2720 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,1,1,0,0,0|1,0,0]=3 2721 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,1,1,0,0,0|1,0,0]=3 2722 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,1,1,0,0,0|1,0,0]=3 2723 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,1,1,0,0,0|1,0,0]=3 2724 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,1,1,0,0,0|1,0,0]=3 2725 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [0,1,1,0,0,0|1,0,0]=3 2726 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [0,1,1,0,0,0|1,0,0]=3 2727 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,1,1,0,0,0|1,0,0]=3 2728 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,1,1,0,0,0|1,0,0]=3 2729 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,1,1,0,0,0|1,0,0]=3 2730 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,1,1,0,0,0|1,0,0]=3 2731 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,1,1,0,0,0|1,0,0]=3 2732 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,1,1,0,0,0|1,0,0]=3 2733 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,1,1,0,0,0|1,0,0]=3 2734 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,1,1,0,0,0|1,0,0]=3 2735 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,1,1,0,0,0|1,0,0]=3 2736 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,1,1,0,0,0|1,0,0]=3 2737 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,1,1,0,0,0|1,0,0]=3 2738 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,1,1,0,0,0|1,0,0]=3 2739 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,1,1,0,0,0|1,0,0]=3 2740 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,1,1,0,0,0|1,0,0]=3 2741 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,1,1,0,0,0|1,0,0]=3 2742 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,1,1,0,0,0|1,0,0]=3 2743 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,1,1,0,0,0|1,0,0]=3 2744 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,1,1,0,0,0|1,0,0]=3 2745 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,1,1,0,0,0|1,0,0]=3 2746 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,1,1,0,0,0|1,0,0]=3 2747 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,1,1,0,0,0|1,0,0]=3 2748 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,1,1,0,0,0|1,0,0]=3 2749 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,1,1,0,0,0|1,0,0]=3 2750 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,1,1,0,0,0|1,0,0]=3 2751 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,1,1,0,0,0|1,0,0]=3 2752 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,1,1,0,0,0|1,0,0]=3 2753 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,1,1,0,0,0|1,0,0]=3 2754 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,1,1,0,0,0|2,0,0]=4 2755 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [0,1,1,0,0,0|1,0,0]=3 2756 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [0,1,1,0,0,0|1,0,0]=3 2757 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [0,1,1,0,0,0|1,0,0]=3 2758 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [0,1,1,0,0,0|1,0,1]=4 2759 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [0,1,1,0,0,0|1,0,1]=4 2760 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [0,1,1,0,0,0|1,0,1]=4 2761 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [0,1,1,0,0,0|1,0,1]=4 2762 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,1,1,0,0,0|1,0,0]=3 2763 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,1,1,0,0,0|1,0,0]=3 2764 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,1,1,0,0,0|1,0,0]=3 2765 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,1,1,0,0,0|1,0,0]=3 2766 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,1,1,0,0,0|1,0,0]=3 2767 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,1,1,0,0,0|1,0,0]=3 2768 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,1,1,0,0,0|1,0,0]=3 2769 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,1,1,0,0,0|1,0,0]=3 2770 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,1,1,0,0,0|1,0,0]=3 2771 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,1,1,0,0,0|1,0,0]=3 2772 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,1,1,0,0,0|1,0,0]=3 2773 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,1,1,0,0,0|1,0,0]=3 2774 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,1,1,0,0,0|1,0,0]=3 2775 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,1,1,0,0,0|1,0,0]=3 2776 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,1,1,0,0,0|1,0,0]=3 2777 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,1,1,0,0,0|1,0,0]=3 2778 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [0,1,1,0,0,0|2,0,0]=4 2779 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [0,1,1,0,0,0|2,0,0]=4 2780 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [0,1,1,0,0,0|2,0,0]=4 2781 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [0,1,1,0,0,0|2,0,0]=4 2782 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [0,1,1,0,0,0|2,0,0]=4 2783 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [0,1,1,0,0,0|2,0,0]=4 2784 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,1,1,0,0,0|2,0,0]=4 2785 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,1,1,0,0,0|2,0,0]=4 2786 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,1,1,0,0,0|2,0,0]=4 2787 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [0,1,1,0,0,0|2,0,0]=4 2788 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [0,1,1,0,0,0|2,0,0]=4 2789 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [0,1,1,0,0,0|2,0,0]=4 2790 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [0,1,1,0,0,0|2,0,0]=4 2791 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,1,1,0,0,0|2,0,0]=4 2792 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,1,1,0,0,0|2,0,0]=4 2793 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,1,1,0,0,0|2,0,0]=4 2794 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,1,1,0,0,0|2,0,0]=4 2795 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [0,1,1,0,0,0|2,0,0]=4 2796 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [0,1,1,0,0,0|2,0,0]=4 2797 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [0,1,1,0,0,0|2,0,0]=4 2798 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,1,1,0,0,0|2,0,0]=4 2799 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,1,1,0,0,0|2,0,0]=4 2800 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [0,1,1,0,0,0|2,0,0]=4 2801 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [0,1,1,0,0,0|2,0,0]=4 2802 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [0,1,1,0,0,0|2,0,0]=4 2803 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [0,1,1,0,0,0|2,0,0]=4 2804 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,1,1,0,0,0|2,0,0]=4 2805 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,1,1,0,0,0|2,0,0]=4 2806 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,1,1,0,0,0|2,0,0]=4 2807 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,1,1,0,0,0|2,0,0]=4 2808 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,1,1,0,0,0|2,0,0]=4 2809 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,1,1,0,0,0|2,0,0]=4 2810 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,1,1,0,0,0|2,0,0]=4 2811 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,1,1,0,0,0|2,0,0]=4 2812 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,1,1,0,0,0|2,0,0]=4 2813 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,1,1,0,0,0|2,0,0]=4 2814 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [0,1,1,0,0,0|2,0,0]=4 2815 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [0,1,1,0,0,0|2,0,0]=4 2816 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [0,1,1,0,0,0|2,0,0]=4 2817 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [0,1,1,0,0,0|2,0,0]=4 2818 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [0,1,1,0,0,0|2,0,0]=4 2819 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [0,1,1,0,0,0|2,0,0]=4 2820 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [0,1,1,0,0,0|2,0,0]=4 2821 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [0,1,1,0,0,0|2,0,0]=4 2822 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [0,1,1,0,0,0|2,0,0]=4 2823 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [0,1,1,0,0,0|2,0,0]=4 2824 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [0,1,1,0,0,0|2,0,0]=4 2825 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [0,1,1,0,0,0|2,0,0]=4 2826 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [0,1,1,0,0,0|2,0,0]=4 2827 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [0,1,1,0,0,0|2,0,0]=4 2828 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [0,1,1,0,0,0|2,0,0]=4 2829 B8R0.6 CNC(C)CCCC#N 270004a_106832991635_200000032708 [0,1,1,0,0,0|1,0,1]=4 2830 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [0,1,1,0,0,0|2,0,0]=4 2831 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,1,1,0,0,0|1,0,0]=3 2832 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,1,1,0,0,0|1,0,0]=3 2833 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,1,1,0,0,0|1,0,0]=3 2834 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,1,1,0,0,0|1,0,0]=3 2835 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,1,1,0,0,0|1,0,0]=3 2836 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,1,1,0,0,0|1,0,0]=3 2837 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,1,1,0,0,0|1,0,0]=3 2838 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,1,1,0,0,0|1,0,0]=3 2839 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [0,1,1,0,0,0|2,0,0]=4 2840 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [0,1,1,0,0,0|2,0,0]=4 2841 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [0,1,1,0,0,0|2,0,0]=4 2842 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,1,1,0,0,0|1,0,0]=3 2843 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,1,1,0,0,0|1,0,0]=3 2844 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,1,1,0,0,0|1,0,0]=3 2845 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,1,1,0,0,0|1,0,0]=3 2846 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [0,1,1,0,0,0|2,0,0]=4 2847 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [0,1,1,0,0,0|2,0,0]=4 2848 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,1,1,0,0,0|2,0,0]=4 2849 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,1,1,0,0,0|2,0,0]=4 2850 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,1,1,0,0,0|2,0,0]=4 2851 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,1,1,0,0,0|2,0,0]=4 2852 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,1,1,0,0,0|2,0,0]=4 2853 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,1,1,0,0,0|2,0,0]=4 2854 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,1,1,0,0,0|2,0,0]=4 2855 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,1,1,0,0,0|2,0,0]=4 2856 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,1,1,0,0,0|2,0,0]=4 2857 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,1,1,0,0,0|2,0,0]=4 2858 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,1,1,0,0,0|2,0,0]=4 2859 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,1,1,0,0,0|2,0,0]=4 2860 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,1,1,0,0,0|2,0,0]=4 2861 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [0,1,1,0,0,0|1,0,0]=3 2862 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,1,1,0,0,0|1,0,0]=3 2863 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,1,1,0,0,0|1,0,0]=3 2864 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [0,1,1,0,0,0|2,0,0]=4 2865 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,1,1,0,0,0|1,0,0]=3 2866 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [0,1,1,0,0,0|2,0,0]=4 2867 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [0,1,1,0,0,0|2,0,0]=4 2868 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [0,1,1,0,0,0|2,0,0]=4 2869 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [0,1,1,0,0,0|2,0,0]=4 2870 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [0,1,1,0,0,0|2,0,0]=4 2871 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,1,1,0,0,0|2,0,0]=4 2872 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,1,1,0,0,0|2,0,0]=4 2873 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,1,1,0,0,0|2,0,0]=4 2874 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,1,1,0,0,0|2,0,0]=4 2875 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,1,1,0,0,0|2,0,0]=4 2876 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,1,1,0,0,0|2,0,0]=4 2877 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [0,1,1,0,0,0|1,0,0]=3 2878 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,1,1,0,0,0|1,0,0]=3 2879 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,1,1,0,0,0|2,0,0]=4 2880 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,1,1,0,0,0|2,0,0]=4 2881 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [0,1,1,0,0,0|2,0,0]=4 2882 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [0,1,1,0,0,0|1,0,0]=3 2883 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [0,1,1,0,0,0|1,0,0]=3 2884 B8R0.6 N#CCCCC(=O)CF 1458a_100000075515_100015361967 [0,1,1,0,0,0|1,0,1]=4 2885 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [0,1,1,0,0,0|1,0,1]=4 2886 B8R0.6 NC[C@@H](F)COCC=O 34a_100015665980_200009817547 [0,1,1,0,0,0|2,0,0]=4 2887 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,1,1,0,0,0|1,0,0]=3 2888 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [0,1,1,0,0,0|2,0,0]=4 2889 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,1,1,0,0,0|1,0,0]=3 2890 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,1,1,0,0,0|1,0,0]=3 2891 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,1,1,0,0,0|2,0,0]=4 2892 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,1,1,0,0,0|2,0,0]=4 2893 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,1,1,0,0,0|2,0,0]=4 2894 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,1,1,0,0,0|2,0,0]=4 2895 B8R0.6 O=CCNC[C@@H](F)CO 34a_100015665980_200009817547 [0,1,1,0,0,0|2,0,0]=4 2896 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [0,1,1,0,0,0|2,0,0]=4 2897 B8R0.6 O=CCOCC(Cl)CCl 34a_100000033668_200009817547 [0,1,1,0,0,0|2,0,0]=4 2898 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [0,1,1,0,0,0|2,0,0]=4 2899 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [0,1,1,0,0,0|2,0,0]=4 2900 B8R0.6 O=CCSC[C@@H](O)CF 62a_100015614560_200015260668 [0,1,1,0,0,0|2,0,0]=4 2901 B8R0.6 O=CCSC[C@@H](O)CF 62a_200015260668_100015614560 [0,1,1,0,0,0|2,0,0]=4 2902 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [0,1,1,0,0,0|2,0,0]=4 2903 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [0,1,1,0,0,0|2,0,0]=4 2904 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [0,1,1,0,0,0|2,0,0]=4 2905 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [0,1,1,0,0,0|0,0,1]=3 2906 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [0,1,1,0,0,0|0,0,1]=3 2907 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [0,1,1,0,0,0|0,0,1]=3 2908 B8R0.7 C#CCCCNC(=O)C 11a_100000718082_100015343762 [0,1,1,0,0,0|0,0,2]=4 2909 B8R0.7 C#CCCCNC(=O)C 1626a_100000718082_100015343762 [0,1,1,0,0,0|0,0,2]=4 2910 B8R0.7 C#CCCCNC(=O)C 240690a_100000718082_100015343762 [0,1,1,0,0,0|0,0,2]=4 2911 B8R0.7 C#CCCCNC(=O)C 527a_100000718082_100103153847 [0,1,1,0,0,0|0,0,2]=4 2912 B8R0.7 C#CCCCNC(C)C 2230a_100138425928_100000731252 [0,1,1,0,0,0|1,0,1]=4 2913 B8R0.7 C#CCCCNC(C)C 34a_100000718082_100000210206 [0,1,1,0,0,0|1,0,1]=4 2914 B8R0.7 C#CCCCNC(C)C 34a_100138425928_100000695029 [0,1,1,0,0,0|1,0,1]=4 2915 B8R0.7 C#CCCCOC(C)C 34a_100000212225_100000695029 [0,1,1,0,0,0|1,0,1]=4 2916 B8R0.7 C#CCCCOC(C)C 34a_100000215630_100000210206 [0,1,1,0,0,0|1,0,1]=4 2917 B8R0.7 C#CCCCOC(C)C 7a_100000215630_100000210206 [0,1,1,0,0,0|1,0,1]=4 2918 B8R0.7 C#CCCCSC(C)C 62a_100000210206_100011215417 [0,1,1,0,0,0|1,0,1]=4 2919 B8R0.7 C#CCCCSC(C)C 62a_100011215417_100000210206 [0,1,1,0,0,0|1,0,1]=4 2920 B8R0.7 C#CCCNCC(C)C 2230a_100000210953_100000688953 [0,1,1,0,0,0|1,0,1]=4 2921 B8R0.7 C#CCCNCC(C)C 34a_100000210953_100000688953 [0,1,1,0,0,0|1,0,1]=4 2922 B8R0.7 C#CCCNCC(C)C 34a_100000755551_100000210624 [0,1,1,0,0,0|1,0,1]=4 2923 B8R0.7 C#CCCOCC(=O)C 34a_100000211253_100000688953 [0,1,1,0,0,0|0,0,2]=4 2924 B8R0.7 C#CCCOCC(C)C 34a_100000210257_100000688953 [0,1,1,0,0,0|1,0,1]=4 2925 B8R0.7 C#CCCOCC(C)C 34a_100011215631_100000210624 [0,1,1,0,0,0|1,0,1]=4 2926 B8R0.7 C#CCCSCC(C)C 62a_100000210624_100000688953 [0,1,1,0,0,0|1,0,1]=4 2927 B8R0.7 C#CCCSCC(C)C 62a_100000688953_100000210760 [0,1,1,0,0,0|1,0,1]=4 2928 B8R0.7 C#CCNCCC(C)C 34a_100000212058_100000210312 [0,1,1,0,0,0|1,0,1]=4 2929 B8R0.7 C#CCOCCC(=O)C 1458a_100000070787_100010402529 [0,1,1,0,0,0|0,0,2]=4 2930 B8R0.7 C#CCOCCC(=O)C 1458a_100000693358_200000210301 [0,1,1,0,0,0|0,0,2]=4 2931 B8R0.7 C#CCOCCC(=O)C 34a_100000759926_100000184674 [0,1,1,0,0,0|0,0,2]=4 2932 B8R0.7 C#CCOCCC(=O)C 7a_100000759926_100000038162 [0,1,1,0,0,0|0,0,2]=4 2933 B8R0.7 C#CCOCCC(=O)[13CH3] 1458a_100000693358_200025704644 [0,1,1,0,0,0|0,0,2]=4 2934 B8R0.7 C#CCOCCC(C)C 34a_100000210247_100000210312 [0,1,1,0,0,0|1,0,1]=4 2935 B8R0.7 C#CCOCCC(C)C 34a_100000210254_100000184674 [0,1,1,0,0,0|1,0,1]=4 2936 B8R0.7 C#CCOCCC(C)C 7a_100000210254_100000038162 [0,1,1,0,0,0|1,0,1]=4 2937 B8R0.7 C#CCSCCC(=O)C 62a_100000038162_100000053229 [0,1,1,0,0,0|0,0,2]=4 2938 B8R0.7 C#CCSCCC(C)C 62a_100000038162_100000210312 [0,1,1,0,0,0|1,0,1]=4 2939 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [0,1,1,0,0,0|1,0,1]=4 2940 B8R0.7 C/C=C/CNCC(C)C 34a_100000210953_100102629194 [0,1,1,0,0,0|1,0,1]=4 2941 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [0,1,1,0,0,0|0,0,2]=4 2942 B8R0.7 C/C=C/COCC(C)C 34a_100000210257_100102629194 [0,1,1,0,0,0|1,0,1]=4 2943 B8R0.7 C/C=C/COCC(C)C 34a_100016270725_100000210624 [0,1,1,0,0,0|1,0,1]=4 2944 B8R0.7 C/C=C/CSCC(C)C 62a_100000210624_100102629194 [0,1,1,0,0,0|1,0,1]=4 2945 B8R0.7 C/C=C/CSCC(C)C 62a_100102629194_100000210760 [0,1,1,0,0,0|1,0,1]=4 2946 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [0,1,1,0,0,0|1,0,1]=4 2947 B8R0.7 C=C(C)CCNCCF 34a_100000724931_100000730704 [0,1,1,0,0,0|2,0,0]=4 2948 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [0,1,1,0,0,0|2,0,0]=4 2949 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [0,1,1,0,0,0|2,0,0]=4 2950 B8R0.7 C=C(C)CCOCC=O 34a_100000764851_200009817547 [0,1,1,0,0,0|0,0,2]=4 2951 B8R0.7 C=C(C)CCOCCBr 34a_100000211926_100000730704 [0,1,1,0,0,0|2,0,0]=4 2952 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [0,1,1,0,0,0|1,0,0]=3 2953 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [0,1,1,0,0,0|1,0,0]=3 2954 B8R0.7 C=C(C)CCOCCF 34a_100000764851_100011217306 [0,1,1,0,0,0|2,0,0]=4 2955 B8R0.7 C=C(C)CCOCCN 34a_100000210304_100000730704 [0,1,1,0,0,0|2,0,0]=4 2956 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [0,1,1,0,0,0|2,0,0]=4 2957 B8R0.7 C=C(C)CCOCSC 34a_100000764851_100011218213 [0,1,1,0,0,0|2,0,0]=4 2958 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [0,1,1,0,0,0|0,0,2]=4 2959 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [0,1,1,0,0,0|0,0,2]=4 2960 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [0,1,1,0,0,0|1,0,0]=3 2961 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [0,1,1,0,0,0|1,0,0]=3 2962 B8R0.7 C=C(C)CCSCCF 62a_100000730704_100011217306 [0,1,1,0,0,0|2,0,0]=4 2963 B8R0.7 C=C(C)CCSCCF 62a_100011217306_100000730704 [0,1,1,0,0,0|2,0,0]=4 2964 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [0,1,1,0,0,0|2,0,0]=4 2965 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [0,1,1,0,0,0|2,0,0]=4 2966 B8R0.7 C=C(C)CCSCOC 62a_100000730704_100000766300 [0,1,1,0,0,0|2,0,0]=4 2967 B8R0.7 C=C(C)CCSCOC 62a_100000766300_100000730704 [0,1,1,0,0,0|2,0,0]=4 2968 B8R0.7 C=C(C)CCSCSC 62a_100000730704_100011218213 [0,1,1,0,0,0|2,0,0]=4 2969 B8R0.7 C=C(C)CCSCSC 62a_100011218213_100000730704 [0,1,1,0,0,0|2,0,0]=4 2970 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [0,1,1,0,0,0|1,0,0]=3 2971 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [0,1,1,0,0,0|1,0,0]=3 2972 B8R0.7 C=C(C)CNCCCF 2230a_100015189416_100000748629 [0,1,1,0,0,0|2,0,0]=4 2973 B8R0.7 C=C(C)CNCCCF 34a_100015189416_100000748629 [0,1,1,0,0,0|2,0,0]=4 2974 B8R0.7 C=C(C)CNCCOC 2230a_100000209980_100000748629 [0,1,1,0,0,0|2,0,0]=4 2975 B8R0.7 C=C(C)CNCCSC 2230a_100020590264_100000748629 [0,1,1,0,0,0|2,0,0]=4 2976 B8R0.7 C=C(C)COCCCBr 34a_100011217188_100000748629 [0,1,1,0,0,0|2,0,0]=4 2977 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [0,1,1,0,0,0|1,0,0]=3 2978 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [0,1,1,0,0,0|1,0,0]=3 2979 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [0,1,1,0,0,0|1,0,0]=3 2980 B8R0.7 C=C(C)COCCCCl 34a_100000230001_100000748629 [0,1,1,0,0,0|2,0,0]=4 2981 B8R0.7 C=C(C)COCCCF 34a_100000210245_100011934791 [0,1,1,0,0,0|2,0,0]=4 2982 B8R0.7 C=C(C)COCCCF 34a_100000759539_100000748629 [0,1,1,0,0,0|2,0,0]=4 2983 B8R0.7 C=C(C)COCCCN 34a_100000182051_100000748629 [0,1,1,0,0,0|2,0,0]=4 2984 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [0,1,1,0,0,0|2,0,0]=4 2985 B8R0.7 C=C(C)COCCOC 34a_100000210237_100000748629 [0,1,1,0,0,0|2,0,0]=4 2986 B8R0.7 C=C(C)COCCOC 34a_100000210245_100011201679 [0,1,1,0,0,0|2,0,0]=4 2987 B8R0.7 C=C(C)COCCSC 34a_100000210245_100000212216 [0,1,1,0,0,0|2,0,0]=4 2988 B8R0.7 C=C(C)COCCSC 34a_100000230434_100000748629 [0,1,1,0,0,0|2,0,0]=4 2989 B8R0.7 C=C(C)COCCSC 7a_100000230434_100000748629 [0,1,1,0,0,0|2,0,0]=4 2990 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [0,1,1,0,0,0|1,0,0]=3 2991 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [0,1,1,0,0,0|1,0,0]=3 2992 B8R0.7 C=C(C)CSCCCF 62a_100000748629_100011934791 [0,1,1,0,0,0|2,0,0]=4 2993 B8R0.7 C=C(C)CSCCCF 62a_100011934791_100000211660 [0,1,1,0,0,0|2,0,0]=4 2994 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [0,1,1,0,0,0|2,0,0]=4 2995 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [0,1,1,0,0,0|2,0,0]=4 2996 B8R0.7 C=C(C)CSCCOC 62a_100000233755_100000211660 [0,1,1,0,0,0|2,0,0]=4 2997 B8R0.7 C=C(C)CSCCOC 62a_100000748629_100000233755 [0,1,1,0,0,0|2,0,0]=4 2998 B8R0.7 C=C(C)CSCCSC 62a_100000212216_100000211660 [0,1,1,0,0,0|2,0,0]=4 2999 B8R0.7 C=C(C)CSCCSC 62a_100000748629_100000751147 [0,1,1,0,0,0|2,0,0]=4 3000 B8R0.7 C=C(C)CSCOCC 62a_100000739092_100000211660 [0,1,1,0,0,0|2,0,0]=4 3001 B8R0.7 C=C(C)CSCOCC 62a_100000748629_100000739092 [0,1,1,0,0,0|2,0,0]=4 3002 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [0,1,1,0,0,0|1,0,1]=4 3003 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [0,1,1,0,0,0|1,0,1]=4 3004 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [0,1,1,0,0,0|1,0,1]=4 3005 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [0,1,1,0,0,0|1,0,1]=4 3006 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [0,1,1,0,0,0|1,0,1]=4 3007 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [0,1,1,0,0,0|1,0,1]=4 3008 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [0,1,1,0,0,0|1,0,1]=4 3009 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,1,1,0,0,0|0,0,1]=3 3010 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,1,1,0,0,0|0,0,1]=3 3011 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,1,1,0,0,0|0,0,1]=3 3012 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [0,1,1,0,0,0|2,0,0]=4 3013 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [0,1,1,0,0,0|2,0,0]=4 3014 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [0,1,1,0,0,0|2,0,0]=4 3015 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [0,1,1,0,0,0|2,0,0]=4 3016 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [0,1,1,0,0,0|2,0,0]=4 3017 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [0,1,1,0,0,0|2,0,0]=4 3018 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [0,1,1,0,0,0|0,0,2]=4 3019 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [0,1,1,0,0,0|0,0,2]=4 3020 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [0,1,1,0,0,0|0,0,2]=4 3021 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [0,1,1,0,0,0|0,0,2]=4 3022 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [0,1,1,0,0,0|1,0,0]=3 3023 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [0,1,1,0,0,0|1,0,0]=3 3024 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [0,1,1,0,0,0|1,0,0]=3 3025 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [0,1,1,0,0,0|1,0,0]=3 3026 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [0,1,1,0,0,0|1,0,0]=3 3027 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [0,1,1,0,0,0|1,0,0]=3 3028 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [0,1,1,0,0,0|1,0,0]=3 3029 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [0,1,1,0,0,0|1,0,0]=3 3030 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [0,1,1,0,0,0|1,0,0]=3 3031 B8R0.7 C=CCCNCC(C)C 2230a_100000210953_100000754431 [0,1,1,0,0,0|1,0,0]=3 3032 B8R0.7 C=CCCNCC(C)C 2230a_100015191253_100000210760 [0,1,1,0,0,0|1,0,0]=3 3033 B8R0.7 C=CCCNCC(C)C 270004a_100015191253_100000210432 [0,1,1,0,0,0|1,0,0]=3 3034 B8R0.7 C=CCCNCC(C)C 34a_100000210953_100000754431 [0,1,1,0,0,0|1,0,0]=3 3035 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [0,1,1,0,0,0|2,0,0]=4 3036 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [0,1,1,0,0,0|2,0,0]=4 3037 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [0,1,1,0,0,0|2,0,0]=4 3038 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [0,1,1,0,0,0|2,0,0]=4 3039 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [0,1,1,0,0,0|0,0,2]=4 3040 B8R0.7 C=CCCOCC(C)Br 34a_100012180447_100000754431 [0,1,1,0,0,0|2,0,0]=4 3041 B8R0.7 C=CCCOCC(C)C 34a_100000210257_100000754431 [0,1,1,0,0,0|1,0,0]=3 3042 B8R0.7 C=CCCOCC(C)C 34a_100011205117_100000210624 [0,1,1,0,0,0|1,0,0]=3 3043 B8R0.7 C=CCCOCC(C)F 34a_100015925927_100000754431 [0,1,1,0,0,0|2,0,0]=4 3044 B8R0.7 C=CCCOCC(C)O 34a_100011205117_100011218427 [0,1,1,0,0,0|2,0,0]=4 3045 B8R0.7 C=CCCOC[C@@H](C)Cl 34a_100016084084_100000754431 [0,1,1,0,0,0|2,0,0]=4 3046 B8R0.7 C=CCCOC[C@@H](C)N 34a_100000737577_100000754431 [0,1,1,0,0,0|2,0,0]=4 3047 B8R0.7 C=CCCOC[C@@H](C)O 34a_100011205117_100009817552 [0,1,1,0,0,0|2,0,0]=4 3048 B8R0.7 C=CCCSCC(C)C 62a_100000210624_100000754431 [0,1,1,0,0,0|1,0,0]=3 3049 B8R0.7 C=CCCSCC(C)C 62a_100000754431_100000210760 [0,1,1,0,0,0|1,0,0]=3 3050 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [0,1,1,0,0,0|2,0,0]=4 3051 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [0,1,1,0,0,0|2,0,0]=4 3052 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [0,1,1,0,0,0|2,0,0]=4 3053 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [0,1,1,0,0,0|2,0,0]=4 3054 B8R0.7 C=CCNCCC(C)C 2230a_100020586998_100000210312 [0,1,1,0,0,0|1,0,0]=3 3055 B8R0.7 C=CCNCCC(C)O 2230a_100020586998_100012276601 [0,1,1,0,0,0|2,0,0]=4 3056 B8R0.7 C=CCNCCC(C)O 2230a_200000755665_100000210623 [0,1,1,0,0,0|2,0,0]=4 3057 B8R0.7 C=CCNCOC(C)C 2230a_100020586998_100000709892 [0,1,1,0,0,0|2,0,0]=4 3058 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [0,1,1,0,0,0|0,0,2]=4 3059 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [0,1,1,0,0,0|0,0,2]=4 3060 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [0,1,1,0,0,0|0,0,2]=4 3061 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [0,1,1,0,0,0|0,0,2]=4 3062 B8R0.7 C=CCOCCC(C)Br 34a_100009893172_100015514636 [0,1,1,0,0,0|2,0,0]=4 3063 B8R0.7 C=CCOCCC(C)C 34a_100000210254_100015514636 [0,1,1,0,0,0|1,0,0]=3 3064 B8R0.7 C=CCOCCC(C)C 34a_200000210373_100000210312 [0,1,1,0,0,0|1,0,0]=3 3065 B8R0.7 C=CCOCCC(C)C 7a_100000210254_100015514636 [0,1,1,0,0,0|1,0,0]=3 3066 B8R0.7 C=CCOCCC(C)O 34a_200000210373_100012276601 [0,1,1,0,0,0|2,0,0]=4 3067 B8R0.7 C=CCOCC[C@@H](C)N 34a_100000706166_100015514636 [0,1,1,0,0,0|2,0,0]=4 3068 B8R0.7 C=CCOCOC(C)C 34a_200000210373_100000709892 [0,1,1,0,0,0|2,0,0]=4 3069 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [0,1,1,0,0,0|0,0,2]=4 3070 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [0,1,1,0,0,0|0,0,2]=4 3071 B8R0.7 C=CCSCCC(C)C 62a_100000210312_100000210623 [0,1,1,0,0,0|1,0,0]=3 3072 B8R0.7 C=CCSCCC(C)C 62a_100000210623_100000210312 [0,1,1,0,0,0|1,0,0]=3 3073 B8R0.7 C=CCSCCC(C)O 62a_100000210623_100012276601 [0,1,1,0,0,0|2,0,0]=4 3074 B8R0.7 C=CCSCCC(C)O 62a_100012276601_100000210623 [0,1,1,0,0,0|2,0,0]=4 3075 B8R0.7 C=CCSCCN(C)C 62a_100000210623_100000755713 [0,1,1,0,0,0|2,0,0]=4 3076 B8R0.7 C=CCSCOC(C)C 62a_100000210623_100000709892 [0,1,1,0,0,0|2,0,0]=4 3077 B8R0.7 C=CCSCOC(C)C 62a_100000709892_100000210623 [0,1,1,0,0,0|2,0,0]=4 3078 B8R0.7 C=COCCNC(C)C 2230a_100138425928_100000039644 [0,1,1,0,0,0|2,0,0]=4 3079 B8R0.7 C=COCCNC(C)C 34a_100138425928_100000039644 [0,1,1,0,0,0|2,0,0]=4 3080 B8R0.7 C=COCCOC(C)C 34a_100000033082_100000210206 [0,1,1,0,0,0|2,0,0]=4 3081 B8R0.7 C=COCCOC(C)C 34a_100000212225_100000039644 [0,1,1,0,0,0|2,0,0]=4 3082 B8R0.7 C=COCCSC(C)C 62a_100000039644_100000210206 [0,1,1,0,0,0|2,0,0]=4 3083 B8R0.7 C=COCCSC(C)C 62a_100000210206_100000039644 [0,1,1,0,0,0|2,0,0]=4 3084 B8R0.7 CC#CCOCC(=O)C 34a_100000211253_100000748600 [0,1,1,0,0,0|0,0,2]=4 3085 B8R0.7 CC(=CCNCC=O)C 34a_100000718196_200009817547 [0,1,1,0,0,0|0,0,2]=4 3086 B8R0.7 CC(=CCOCC=O)C 34a_100000753907_200009817547 [0,1,1,0,0,0|0,0,2]=4 3087 B8R0.7 CC(=CCSCC=O)C 62a_100000761012_200015260668 [0,1,1,0,0,0|0,0,2]=4 3088 B8R0.7 CC(=CCSCC=O)C 62a_200015260668_100000761012 [0,1,1,0,0,0|0,0,2]=4 3089 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [0,1,1,0,0,0|0,0,1]=3 3090 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,1,1,0,0,0|0,0,0]=2 3091 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,1,1,0,0,0|0,0,0]=2 3092 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,1,1,0,0,0|0,0,0]=2 3093 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,1,1,0,0,0|0,0,0]=2 3094 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,1,1,0,0,0|0,0,0]=2 3095 B8R0.7 CC(=O)CCCN=[N+]=[N-] 1458a_100010262590_200000210301 [0,1,1,0,0,0|2,0,0]=4 3096 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [0,1,1,0,0,0|1,0,0]=3 3097 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [0,1,1,0,0,0|1,0,0]=3 3098 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,1,1,0,0,0|1,0,0]=3 3099 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,1,1,0,0,0|1,0,0]=3 3100 B8R0.7 CC(=O)CCOCC#N 1458a_100000070787_200000047693 [0,1,1,0,0,0|1,0,1]=4 3101 B8R0.7 CC(=O)CCOCC#N 7a_100000759926_100011215382 [0,1,1,0,0,0|1,0,1]=4 3102 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [0,1,1,0,0,0|1,0,1]=4 3103 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [0,1,1,0,0,0|1,0,1]=4 3104 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,1,1,0,0,0|1,0,0]=3 3105 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,1,1,0,0,0|1,0,0]=3 3106 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,1,1,0,0,0|1,0,0]=3 3107 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,1,1,0,0,0|1,0,0]=3 3108 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,1,1,0,0,0|1,0,0]=3 3109 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,1,1,0,0,0|1,0,0]=3 3110 B8R0.7 CC(=O)CCSCC#N 62a_100000053229_100011215382 [0,1,1,0,0,0|1,0,1]=4 3111 B8R0.7 CC(=O)CCSCC#N 62a_100011215382_100000053229 [0,1,1,0,0,0|1,0,1]=4 3112 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [0,1,1,0,0,0|1,0,1]=4 3113 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [0,1,1,0,0,0|1,0,1]=4 3114 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,1,1,0,0,0|1,0,0]=3 3115 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,1,1,0,0,0|1,0,0]=3 3116 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,1,1,0,0,0|1,0,0]=3 3117 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,1,1,0,0,0|1,0,0]=3 3118 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,1,1,0,0,0|1,0,0]=3 3119 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,1,1,0,0,0|1,0,0]=3 3120 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,1,1,0,0,0|1,0,0]=3 3121 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,1,1,0,0,0|1,0,0]=3 3122 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [0,1,1,0,0,0|1,0,0]=3 3123 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [0,1,1,0,0,0|1,0,0]=3 3124 B8R0.7 CC(=O)NCCOCF 34a_100000158858_100015361967 [0,1,1,0,0,0|2,0,0]=4 3125 B8R0.7 CC(=O)NCCSCF 62a_100000189650_100015361967 [0,1,1,0,0,0|2,0,0]=4 3126 B8R0.7 CC(=O)NCCSCF 62a_100015361967_100000189650 [0,1,1,0,0,0|2,0,0]=4 3127 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,1,1,0,0,0|1,0,0]=3 3128 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,1,1,0,0,0|1,0,0]=3 3129 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [0,1,1,0,0,0|2,0,0]=4 3130 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [0,1,1,0,0,0|2,0,0]=4 3131 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [0,1,1,0,0,0|2,0,0]=4 3132 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [0,1,1,0,0,0|2,0,0]=4 3133 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [0,1,1,0,0,0|2,0,0]=4 3134 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [0,1,1,0,0,0|2,0,0]=4 3135 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [0,1,1,0,0,0|2,0,0]=4 3136 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [0,1,1,0,0,0|2,0,0]=4 3137 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [0,1,1,0,0,0|2,0,0]=4 3138 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [0,1,1,0,0,0|2,0,0]=4 3139 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,1,1,0,0,0|1,0,0]=3 3140 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,1,1,0,0,0|1,0,0]=3 3141 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [0,1,1,0,0,0|1,1,0]=4 3142 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [0,1,1,0,0,0|1,1,0]=4 3143 B8R0.7 CC(Br)CCOCC=O 34a_100009893172_200009817547 [0,1,1,0,0,0|1,0,0]=3 3144 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [0,1,1,0,0,0|0,0,2]=4 3145 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [0,1,1,0,0,0|0,0,2]=4 3146 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [0,1,1,0,0,0|0,1,1]=4 3147 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [0,1,1,0,0,0|0,1,1]=4 3148 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [0,1,1,0,0,0|1,0,1]=4 3149 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [0,1,1,0,0,0|1,0,1]=4 3150 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [0,1,1,0,0,0|1,0,1]=4 3151 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [0,1,1,0,0,0|1,0,1]=4 3152 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [0,1,1,0,0,0|1,0,1]=4 3153 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [0,1,1,0,0,0|1,0,1]=4 3154 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [0,1,1,0,0,0|1,0,1]=4 3155 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [0,1,1,0,0,0|0,0,2]=4 3156 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [0,1,1,0,0,0|0,0,2]=4 3157 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [0,1,1,0,0,0|0,0,2]=4 3158 B8R0.7 CC(C)CCOCC#N 7a_100000210254_100011215382 [0,1,1,0,0,0|1,0,1]=4 3159 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [0,1,1,0,0,0|0,0,0]=2 3160 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [0,1,1,0,0,0|0,0,0]=2 3161 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [0,1,1,0,0,0|1,0,1]=4 3162 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [0,1,1,0,0,0|1,0,1]=4 3163 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [0,1,1,0,0,0|1,0,1]=4 3164 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [0,1,1,0,0,0|1,0,1]=4 3165 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [0,1,1,0,0,0|0,0,2]=4 3166 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [0,1,1,0,0,0|0,0,2]=4 3167 B8R0.7 CC(C)CCSCC#N 62a_100000210312_100011215382 [0,1,1,0,0,0|1,0,1]=4 3168 B8R0.7 CC(C)CCSCC#N 62a_100011215382_100000210312 [0,1,1,0,0,0|1,0,1]=4 3169 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [0,1,1,0,0,0|0,0,0]=2 3170 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [0,1,1,0,0,0|0,0,0]=2 3171 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [0,1,1,0,0,0|1,0,1]=4 3172 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [0,1,1,0,0,0|1,0,1]=4 3173 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [0,1,1,0,0,0|0,0,2]=4 3174 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [0,1,1,0,0,0|0,0,2]=4 3175 B8R0.7 CC(C)CNCCC#N 2230a_100000210953_100011215226 [0,1,1,0,0,0|1,0,1]=4 3176 B8R0.7 CC(C)CNCCC#N 270004a_100000720768_100000210432 [0,1,1,0,0,0|1,0,1]=4 3177 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [0,1,1,0,0,0|1,0,1]=4 3178 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [0,1,1,0,0,0|1,0,1]=4 3179 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [0,1,1,0,0,0|1,0,1]=4 3180 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [0,1,1,0,0,0|1,0,1]=4 3181 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [0,1,1,0,0,0|1,0,1]=4 3182 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [0,1,1,0,0,0|0,0,2]=4 3183 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [0,1,1,0,0,0|0,0,2]=4 3184 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [0,1,1,0,0,0|0,0,2]=4 3185 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [0,1,1,0,0,0|2,0,0]=4 3186 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [0,1,1,0,0,0|1,0,1]=4 3187 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [0,1,1,0,0,0|1,0,1]=4 3188 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [0,1,1,0,0,0|1,0,1]=4 3189 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [0,1,1,0,0,0|1,0,1]=4 3190 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [0,1,1,0,0,0|1,0,1]=4 3191 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [0,1,1,0,0,0|0,0,2]=4 3192 B8R0.7 CC(C)COCCON 34a_100000700252_100000210624 [0,1,1,0,0,0|2,0,0]=4 3193 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [0,1,1,0,0,0|2,0,0]=4 3194 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [0,1,1,0,0,0|2,0,0]=4 3195 B8R0.7 CC(C)CSCCC#N 62a_100000210624_100011215226 [0,1,1,0,0,0|1,0,1]=4 3196 B8R0.7 CC(C)CSCCC#N 62a_100011215226_100000210760 [0,1,1,0,0,0|1,0,1]=4 3197 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [0,1,1,0,0,0|1,0,1]=4 3198 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [0,1,1,0,0,0|1,0,1]=4 3199 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [0,1,1,0,0,0|0,0,2]=4 3200 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [0,1,1,0,0,0|0,0,2]=4 3201 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [0,1,1,0,0,0|2,0,0]=4 3202 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [0,1,1,0,0,0|2,0,0]=4 3203 B8R0.7 CC(C)NCCCC#N 2230a_100138425928_100000687738 [0,1,1,0,0,0|1,0,1]=4 3204 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [0,1,1,0,0,0|0,0,0]=2 3205 B8R0.7 CC(C)NCCCCF 2230a_100138425928_100000729493 [0,1,1,0,0,0|1,0,1]=4 3206 B8R0.7 CC(C)NCCCCF 34a_100138425928_100000729493 [0,1,1,0,0,0|1,0,1]=4 3207 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [0,1,1,0,0,0|0,0,2]=4 3208 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [0,1,1,0,0,0|0,0,2]=4 3209 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [0,1,1,0,0,0|0,0,2]=4 3210 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [0,1,1,0,0,0|0,0,2]=4 3211 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [0,1,1,0,0,0|2,0,0]=4 3212 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [0,1,1,0,0,0|1,0,1]=4 3213 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [0,1,1,0,0,0|1,0,1]=4 3214 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [0,1,1,0,0,0|1,0,1]=4 3215 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [0,1,1,0,0,0|1,0,1]=4 3216 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [0,1,1,0,0,0|1,0,1]=4 3217 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [0,1,1,0,0,0|1,0,1]=4 3218 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [0,1,1,0,0,0|1,0,1]=4 3219 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [0,1,1,0,0,0|1,0,1]=4 3220 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [0,1,1,0,0,0|0,0,2]=4 3221 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [0,1,1,0,0,0|2,0,0]=4 3222 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [0,1,1,0,0,0|2,0,0]=4 3223 B8R0.7 CC(C)OCSCC=O 62a_100000709892_200015260668 [0,1,1,0,0,0|1,0,0]=3 3224 B8R0.7 CC(C)OCSCC=O 62a_200015260668_100000709892 [0,1,1,0,0,0|1,0,0]=3 3225 B8R0.7 CC(C)SCCCC#N 62a_100000210206_100000687738 [0,1,1,0,0,0|1,0,1]=4 3226 B8R0.7 CC(C)SCCCC#N 62a_100000687738_100000210206 [0,1,1,0,0,0|1,0,1]=4 3227 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [0,1,1,0,0,0|0,0,0]=2 3228 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [0,1,1,0,0,0|0,0,0]=2 3229 B8R0.7 CC(C)SCCCCF 62a_100000210206_100000729493 [0,1,1,0,0,0|1,0,1]=4 3230 B8R0.7 CC(C)SCCCCF 62a_100000729493_100000210206 [0,1,1,0,0,0|1,0,1]=4 3231 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [0,1,1,0,0,0|0,0,2]=4 3232 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [0,1,1,0,0,0|0,0,2]=4 3233 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [0,1,1,0,0,0|1,0,0]=3 3234 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [0,1,1,0,0,0|1,0,0]=3 3235 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [0,1,1,0,0,0|1,0,0]=3 3236 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,1,1,0,0,0|0,0,1]=3 3237 B8R0.7 CC=CCNCC(C)C 2230a_100000210953_100000070051 [0,1,1,0,0,0|1,0,1]=4 3238 B8R0.7 CC=CCNCC(C)C 34a_100000210953_100000070051 [0,1,1,0,0,0|1,0,1]=4 3239 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [0,1,1,0,0,0|0,0,2]=4 3240 B8R0.7 CC=CCOCC(C)C 34a_100000210257_100000070051 [0,1,1,0,0,0|1,0,1]=4 3241 B8R0.7 CC=CCSCC(C)C 62a_100000070051_100000210760 [0,1,1,0,0,0|1,0,1]=4 3242 B8R0.7 CC=CCSCC(C)C 62a_100000210624_100000070051 [0,1,1,0,0,0|1,0,1]=4 3243 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,1,1,0,0,0|0,0,1]=3 3244 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,1,1,0,0,0|0,0,1]=3 3245 B8R0.7 CCCC=NNC(=O)C 4a_100000189765_100000185831 [0,1,1,0,0,0|1,0,1]=4 3246 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,1,1,0,0,0|0,0,1]=3 3247 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,1,1,0,0,0|0,0,1]=3 3248 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,1,1,0,0,0|0,0,0]=2 3249 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,1,1,0,0,0|0,0,0]=2 3250 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,1,1,0,0,0|0,0,0]=2 3251 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [0,1,1,0,0,0|2,0,0]=4 3252 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [0,1,1,0,0,0|2,0,0]=4 3253 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [0,1,1,0,0,0|2,0,0]=4 3254 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [0,1,1,0,0,0|2,0,0]=4 3255 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [0,1,1,0,0,0|2,0,0]=4 3256 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [0,1,1,0,0,0|2,0,0]=4 3257 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,1,1,0,0,0|0,0,0]=2 3258 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,1,1,0,0,0|0,0,0]=2 3259 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,1,1,0,0,0|0,0,0]=2 3260 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,1,1,0,0,0|0,0,0]=2 3261 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [0,1,1,0,0,0|1,0,1]=4 3262 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [0,1,1,0,0,0|1,0,1]=4 3263 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [0,1,1,0,0,0|1,0,1]=4 3264 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [0,1,1,0,0,0|1,0,1]=4 3265 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [0,1,1,0,0,0|1,0,1]=4 3266 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [0,1,1,0,0,0|1,0,1]=4 3267 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [0,1,1,0,0,0|1,0,1]=4 3268 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [0,1,1,0,0,0|1,0,1]=4 3269 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,1,1,0,0,0|1,0,0]=3 3270 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,1,1,0,0,0|1,0,0]=3 3271 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,1,1,0,0,0|1,0,0]=3 3272 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,1,1,0,0,0|1,0,0]=3 3273 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [0,1,1,0,0,0|1,0,1]=4 3274 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [0,1,1,0,0,0|1,0,1]=4 3275 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [0,1,1,0,0,0|1,0,1]=4 3276 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [0,1,1,0,0,0|1,0,1]=4 3277 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [0,1,1,0,0,0|1,0,1]=4 3278 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [0,1,1,0,0,0|0,0,2]=4 3279 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [0,1,1,0,0,0|0,0,2]=4 3280 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [0,1,1,0,0,0|0,0,2]=4 3281 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [0,1,1,0,0,0|0,0,2]=4 3282 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [0,1,1,0,0,0|0,0,2]=4 3283 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [0,1,1,0,0,0|0,0,2]=4 3284 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [0,1,1,0,0,0|1,0,0]=3 3285 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,1,1,0,0,0|0,0,0]=2 3286 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,1,1,0,0,0|0,0,0]=2 3287 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,1,1,0,0,0|0,0,0]=2 3288 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,1,1,0,0,0|1,0,0]=3 3289 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,1,1,0,0,0|1,0,0]=3 3290 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,1,1,0,0,0|0,0,0]=2 3291 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,1,1,0,0,0|1,0,0]=3 3292 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [0,1,1,0,0,0|1,0,1]=4 3293 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [0,1,1,0,0,0|1,0,1]=4 3294 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [0,1,1,0,0,0|1,0,1]=4 3295 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [0,1,1,0,0,0|1,0,1]=4 3296 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [0,1,1,0,0,0|1,0,1]=4 3297 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [0,1,1,0,0,0|0,0,2]=4 3298 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [0,1,1,0,0,0|0,0,2]=4 3299 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [0,1,1,0,0,0|2,0,0]=4 3300 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [0,1,1,0,0,0|2,0,0]=4 3301 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [0,1,1,0,0,0|1,0,1]=4 3302 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [0,1,1,0,0,0|1,0,1]=4 3303 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [0,1,1,0,0,0|0,0,2]=4 3304 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [0,1,1,0,0,0|0,0,2]=4 3305 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [0,1,1,0,0,0|2,0,0]=4 3306 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,1,1,0,0,0|0,0,0]=2 3307 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,1,1,0,0,0|1,0,0]=3 3308 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,1,1,0,0,0|1,0,0]=3 3309 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,1,1,0,0,0|0,0,0]=2 3310 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,1,1,0,0,0|1,0,0]=3 3311 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,1,1,0,0,0|1,0,0]=3 3312 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [0,1,1,0,0,0|1,0,1]=4 3313 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [0,1,1,0,0,0|1,0,1]=4 3314 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [0,1,1,0,0,0|0,0,2]=4 3315 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [0,1,1,0,0,0|0,0,2]=4 3316 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [0,1,1,0,0,0|0,0,2]=4 3317 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [0,1,1,0,0,0|0,0,2]=4 3318 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [0,1,1,0,0,0|2,0,0]=4 3319 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [0,1,1,0,0,0|1,0,1]=4 3320 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [0,1,1,0,0,0|1,0,1]=4 3321 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [0,1,1,0,0,0|0,0,2]=4 3322 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,1,1,0,0,0|2,0,0]=4 3323 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [0,1,1,0,0,0|1,0,1]=4 3324 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [0,1,1,0,0,0|1,0,1]=4 3325 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,1,1,0,0,0|0,0,0]=2 3326 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,1,1,0,0,0|0,0,0]=2 3327 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,1,1,0,0,0|0,0,0]=2 3328 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,1,1,0,0,0|1,0,0]=3 3329 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,1,1,0,0,0|1,0,0]=3 3330 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,1,1,0,0,0|1,0,0]=3 3331 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [0,1,1,0,0,0|1,0,1]=4 3332 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [0,1,1,0,0,0|1,0,1]=4 3333 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [0,1,1,0,0,0|1,0,1]=4 3334 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [0,1,1,0,0,0|1,0,1]=4 3335 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [0,1,1,0,0,0|0,0,2]=4 3336 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [0,1,1,0,0,0|2,0,0]=4 3337 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [0,1,1,0,0,0|2,0,0]=4 3338 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [0,1,1,0,0,0|1,0,1]=4 3339 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [0,1,1,0,0,0|1,0,0]=3 3340 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [0,1,1,0,0,0|1,0,1]=4 3341 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [0,1,1,0,0,0|1,0,1]=4 3342 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,1,1,0,0,0|0,0,0]=2 3343 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,1,1,0,0,0|0,0,0]=2 3344 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,1,1,0,0,0|1,0,0]=3 3345 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,1,1,0,0,0|1,0,0]=3 3346 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [0,1,1,0,0,0|1,0,1]=4 3347 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [0,1,1,0,0,0|1,0,1]=4 3348 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [0,1,1,0,0,0|0,0,2]=4 3349 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [0,1,1,0,0,0|0,0,2]=4 3350 B8R0.7 CCCSCCN(C)C 62a_100000210303_100000755713 [0,1,1,0,0,0|2,0,0]=4 3351 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,1,1,0,0,0|1,0,0]=3 3352 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,1,1,0,0,0|1,0,0]=3 3353 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [0,1,1,0,0,0|1,0,1]=4 3354 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,1,1,0,0,0|1,0,0]=3 3355 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [0,1,1,0,0,0|1,0,1]=4 3356 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [0,1,1,0,0,0|1,0,1]=4 3357 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [0,1,1,0,0,0|1,0,1]=4 3358 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [0,1,1,0,0,0|0,0,2]=4 3359 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [0,1,1,0,0,0|1,0,0]=3 3360 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [0,1,1,0,0,0|1,0,0]=3 3361 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [0,1,1,0,0,0|1,0,0]=3 3362 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [0,1,1,0,0,0|2,0,0]=4 3363 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [0,1,1,0,0,0|2,0,0]=4 3364 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [0,1,1,0,0,0|1,0,1]=4 3365 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,1,1,0,0,0|0,0,0]=2 3366 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,1,1,0,0,0|0,0,0]=2 3367 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,1,1,0,0,0|0,0,0]=2 3368 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,1,1,0,0,0|0,0,0]=2 3369 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,1,1,0,0,0|1,0,0]=3 3370 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [0,1,1,0,0,0|1,0,1]=4 3371 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [0,1,1,0,0,0|1,0,1]=4 3372 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [0,1,1,0,0,0|1,0,1]=4 3373 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [0,1,1,0,0,0|0,0,2]=4 3374 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [0,1,1,0,0,0|2,0,0]=4 3375 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [0,1,1,0,0,0|2,0,0]=4 3376 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [0,1,1,0,0,0|2,0,0]=4 3377 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [0,1,1,0,0,0|1,0,0]=3 3378 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [0,1,1,0,0,0|1,0,0]=3 3379 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [0,1,1,0,0,0|1,0,0]=3 3380 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [0,1,1,0,0,0|1,0,0]=3 3381 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [0,1,1,0,0,0|1,0,0]=3 3382 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [0,1,1,0,0,0|2,0,0]=4 3383 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [0,1,1,0,0,0|1,0,0]=3 3384 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [0,1,1,0,0,0|2,0,0]=4 3385 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [0,1,1,0,0,0|2,0,0]=4 3386 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,1,1,0,0,0|2,0,0]=4 3387 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [0,1,1,0,0,0|2,0,0]=4 3388 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [0,1,1,0,0,0|2,0,0]=4 3389 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [0,1,1,0,0,0|2,0,0]=4 3390 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [0,1,1,0,0,0|2,0,0]=4 3391 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [0,1,1,0,0,0|1,0,1]=4 3392 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [0,1,1,0,0,0|1,0,1]=4 3393 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,1,1,0,0,0|0,0,0]=2 3394 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,1,1,0,0,0|0,0,0]=2 3395 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,1,1,0,0,0|1,0,0]=3 3396 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,1,1,0,0,0|1,0,0]=3 3397 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [0,1,1,0,0,0|1,0,1]=4 3398 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [0,1,1,0,0,0|1,0,1]=4 3399 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [0,1,1,0,0,0|0,0,2]=4 3400 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [0,1,1,0,0,0|0,0,2]=4 3401 B8R0.7 CCSCCCN(C)C 62a_100000210202_100000757444 [0,1,1,0,0,0|2,0,0]=4 3402 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [0,1,1,0,0,0|1,0,0]=3 3403 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [0,1,1,0,0,0|1,0,0]=3 3404 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [0,1,1,0,0,0|1,0,0]=3 3405 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [0,1,1,0,0,0|1,0,0]=3 3406 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [0,1,1,0,0,0|1,0,0]=3 3407 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [0,1,1,0,0,0|1,0,0]=3 3408 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [0,1,1,0,0,0|2,0,0]=4 3409 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [0,1,1,0,0,0|2,0,0]=4 3410 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [0,1,1,0,0,0|1,0,0]=3 3411 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [0,1,1,0,0,0|1,0,0]=3 3412 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [0,1,1,0,0,0|2,0,0]=4 3413 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [0,1,1,0,0,0|2,0,0]=4 3414 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [0,1,1,0,0,0|1,0,0]=3 3415 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [0,1,1,0,0,0|1,0,0]=3 3416 B8R0.7 CN(C)CCCCCF 2230a_100102631434_100000729378 [0,1,1,0,0,0|2,0,0]=4 3417 B8R0.7 CN(C)CCCCCF 269982a_100102631434_100000729378 [0,1,1,0,0,0|2,0,0]=4 3418 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [0,1,1,0,0,0|2,0,0]=4 3419 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [0,1,1,0,0,0|2,0,0]=4 3420 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [0,1,1,0,0,0|2,0,0]=4 3421 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [0,1,1,0,0,0|2,0,0]=4 3422 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [0,1,1,0,0,0|2,0,0]=4 3423 B8R0.7 CN(C)CCSCC=O 62a_200015260668_100000755713 [0,1,1,0,0,0|1,0,0]=3 3424 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [0,1,1,0,0,0|2,0,0]=4 3425 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [0,1,1,0,0,0|2,0,0]=4 3426 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,1,1,0,0,0|0,0,0]=2 3427 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,1,1,0,0,0|0,0,0]=2 3428 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,1,1,0,0,0|1,0,0]=3 3429 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [0,1,1,0,0,0|1,0,1]=4 3430 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [0,1,1,0,0,0|1,0,1]=4 3431 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [0,1,1,0,0,0|1,0,1]=4 3432 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [0,1,1,0,0,0|1,0,0]=3 3433 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [0,1,1,0,0,0|1,0,0]=3 3434 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [0,1,1,0,0,0|1,0,0]=3 3435 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [0,1,1,0,0,0|1,1,0]=4 3436 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [0,1,1,0,0,0|1,1,0]=4 3437 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [0,1,1,0,0,0|1,1,0]=4 3438 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [0,1,1,0,0,0|2,0,0]=4 3439 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [0,1,1,0,0,0|2,0,0]=4 3440 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [0,1,1,0,0,0|2,0,0]=4 3441 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,1,1,0,0,0|1,0,0]=3 3442 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,1,1,0,0,0|1,0,0]=3 3443 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,1,1,0,0,0|1,0,0]=3 3444 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [0,1,1,0,0,0|2,0,0]=4 3445 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [0,1,1,0,0,0|2,0,0]=4 3446 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [0,1,1,0,0,0|2,0,0]=4 3447 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,1,1,0,0,0|2,0,0]=4 3448 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,1,1,0,0,0|0,0,0]=2 3449 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,1,1,0,0,0|0,0,0]=2 3450 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,1,1,0,0,0|1,0,0]=3 3451 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,1,1,0,0,0|1,0,0]=3 3452 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [0,1,1,0,0,0|0,0,2]=4 3453 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [0,1,1,0,0,0|0,0,2]=4 3454 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [0,1,1,0,0,0|0,0,2]=4 3455 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [0,1,1,0,0,0|2,0,0]=4 3456 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [0,1,1,0,0,0|2,0,0]=4 3457 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [0,1,1,0,0,0|2,0,0]=4 3458 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [0,1,1,0,0,0|2,0,0]=4 3459 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [0,1,1,0,0,0|1,0,0]=3 3460 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [0,1,1,0,0,0|1,0,0]=3 3461 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [0,1,1,0,0,0|1,0,0]=3 3462 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [0,1,1,0,0,0|1,0,0]=3 3463 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [0,1,1,0,0,0|2,0,0]=4 3464 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [0,1,1,0,0,0|2,0,0]=4 3465 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [0,1,1,0,0,0|2,0,0]=4 3466 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [0,1,1,0,0,0|2,0,0]=4 3467 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [0,1,1,0,0,0|1,0,0]=3 3468 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [0,1,1,0,0,0|1,1,0]=4 3469 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [0,1,1,0,0,0|2,0,0]=4 3470 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [0,1,1,0,0,0|2,0,0]=4 3471 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,1,1,0,0,0|1,0,0]=3 3472 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [0,1,1,0,0,0|2,0,0]=4 3473 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [0,1,1,0,0,0|2,0,0]=4 3474 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,1,1,0,0,0|2,0,0]=4 3475 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,1,1,0,0,0|2,0,0]=4 3476 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,1,1,0,0,0|2,0,0]=4 3477 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [0,1,1,0,0,0|2,0,0]=4 3478 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [0,1,1,0,0,0|2,0,0]=4 3479 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [0,1,1,0,0,0|2,0,0]=4 3480 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [0,1,1,0,0,0|2,0,0]=4 3481 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [0,1,1,0,0,0|2,0,0]=4 3482 B8R0.7 COCCNNC(=O)C 22a_100000741390_100000070787 [0,1,1,0,0,0|2,0,0]=4 3483 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,1,1,0,0,0|1,0,0]=3 3484 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,1,1,0,0,0|1,0,0]=3 3485 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [0,1,1,0,0,0|2,0,0]=4 3486 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [0,1,1,0,0,0|2,0,0]=4 3487 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,1,1,0,0,0|1,0,0]=3 3488 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [0,1,1,0,0,0|2,0,0]=4 3489 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [0,1,1,0,0,0|2,0,0]=4 3490 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [0,1,1,0,0,0|2,0,0]=4 3491 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [0,1,1,0,0,0|2,0,0]=4 3492 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [0,1,1,0,0,0|2,0,0]=4 3493 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [0,1,1,0,0,0|2,0,0]=4 3494 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [0,1,1,0,0,0|2,0,0]=4 3495 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [0,1,1,0,0,0|2,0,0]=4 3496 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [0,1,1,0,0,0|2,0,0]=4 3497 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [0,1,1,0,0,0|2,0,0]=4 3498 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [0,1,1,0,0,0|2,0,0]=4 3499 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [0,1,1,0,0,0|2,0,0]=4 3500 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [0,1,1,0,0,0|2,0,0]=4 3501 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,1,1,0,0,0|1,0,0]=3 3502 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,1,1,0,0,0|1,0,0]=3 3503 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [0,1,1,0,0,0|2,0,0]=4 3504 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [0,1,1,0,0,0|2,0,0]=4 3505 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [0,1,1,0,0,0|2,0,0]=4 3506 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [0,1,1,0,0,0|2,0,0]=4 3507 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [0,1,1,0,0,0|2,0,0]=4 3508 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [0,1,1,0,0,0|2,0,0]=4 3509 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,1,1,0,0,0|0,0,0]=2 3510 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,1,1,0,0,0|0,0,0]=2 3511 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [0,1,1,0,0,0|0,1,1]=4 3512 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [0,1,1,0,0,0|0,1,1]=4 3513 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [0,1,1,0,0,0|2,0,0]=4 3514 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,1,1,0,0,0|1,0,0]=3 3515 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,1,1,0,0,0|1,0,0]=3 3516 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,1,1,0,0,0|1,0,0]=3 3517 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,1,1,0,0,0|1,0,0]=3 3518 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [0,1,1,0,0,0|2,0,0]=4 3519 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,1,1,0,0,0|1,0,0]=3 3520 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,1,1,0,0,0|1,0,0]=3 3521 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [0,1,1,0,0,0|1,1,0]=4 3522 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [0,1,1,0,0,0|1,1,0]=4 3523 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [0,1,1,0,0,0|2,0,0]=4 3524 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [0,1,1,0,0,0|2,0,0]=4 3525 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,1,1,0,0,0|1,0,0]=3 3526 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,1,1,0,0,0|1,0,0]=3 3527 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [0,1,1,0,0,0|2,0,0]=4 3528 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [0,1,1,0,0,0|2,0,0]=4 3529 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,1,1,0,0,0|2,0,0]=4 3530 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [0,1,1,0,0,0|2,0,0]=4 3531 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [0,1,1,0,0,0|2,0,0]=4 3532 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [0,1,1,0,0,0|2,0,0]=4 3533 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [0,1,1,0,0,0|2,0,0]=4 3534 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,1,1,0,0,0|1,0,0]=3 3535 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [0,1,1,0,0,0|2,0,0]=4 3536 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [0,1,1,0,0,0|2,0,0]=4 3537 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [0,1,1,0,0,0|2,0,0]=4 3538 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [0,1,1,0,0,0|2,0,0]=4 3539 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [0,1,1,0,0,0|2,0,0]=4 3540 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [0,1,1,0,0,0|2,0,0]=4 3541 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [0,1,1,0,0,0|2,0,0]=4 3542 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [0,1,1,0,0,0|2,0,0]=4 3543 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,1,1,0,0,0|2,0,0]=4 3544 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,1,1,0,0,0|2,0,0]=4 3545 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,1,1,0,0,0|2,0,0]=4 3546 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,1,1,0,0,0|2,0,0]=4 3547 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [0,1,1,0,0,0|2,0,0]=4 3548 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [0,1,1,0,0,0|2,0,0]=4 3549 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [0,1,1,0,0,0|1,0,0]=3 3550 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [0,1,1,0,0,0|2,0,0]=4 3551 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [0,1,1,0,0,0|2,0,0]=4 3552 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,1,1,0,0,0|1,0,0]=3 3553 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,1,1,0,0,0|1,0,0]=3 3554 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [0,1,1,0,0,0|2,0,0]=4 3555 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [0,1,1,0,0,0|2,0,0]=4 3556 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [0,1,1,0,0,0|2,0,0]=4 3557 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [0,1,1,0,0,0|2,0,0]=4 3558 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [0,1,1,0,0,0|2,0,0]=4 3559 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [0,1,1,0,0,0|2,0,0]=4 3560 B8R0.7 C[C@@H](N)CCOCC=O 34a_100000706166_200009817547 [0,1,1,0,0,0|1,0,0]=3 3561 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [0,1,1,0,0,0|2,0,0]=4 3562 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [0,1,1,0,0,0|2,0,0]=4 3563 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [0,1,1,0,0,0|2,0,0]=4 3564 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [0,1,1,0,0,0|2,0,0]=4 3565 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,1,1,0,0,0|2,0,0]=4 3566 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,1,1,0,0,0|2,0,0]=4 3567 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [0,1,1,0,0,0|2,0,0]=4 3568 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [0,1,1,0,0,0|2,0,0]=4 3569 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [0,1,1,0,0,0|2,0,0]=4 3570 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [0,1,1,0,0,0|2,0,0]=4 3571 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [0,1,1,0,0,0|2,0,0]=4 3572 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [0,1,1,0,0,0|2,0,0]=4 3573 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [0,1,1,0,0,0|2,0,0]=4 3574 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,1,1,0,0,0|2,0,0]=4 3575 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,1,1,0,0,0|2,0,0]=4 3576 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [0,1,1,0,0,0|2,0,0]=4 3577 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [0,1,1,0,0,0|2,0,0]=4 3578 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [0,1,1,0,0,0|2,0,0]=4 3579 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,1,1,0,0,0|2,0,0]=4 3580 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [0,1,1,0,0,0|2,0,0]=4 3581 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [0,1,1,0,0,0|2,0,0]=4 3582 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [0,1,1,0,0,0|2,0,0]=4 3583 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [0,1,1,0,0,0|2,0,0]=4 3584 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [0,1,1,0,0,0|2,0,0]=4 3585 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [0,1,1,0,0,0|2,0,0]=4 3586 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [0,1,1,0,0,0|2,0,0]=4 3587 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [0,1,1,0,0,0|2,0,0]=4 3588 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [0,1,1,0,0,0|2,0,0]=4 3589 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [0,1,1,0,0,0|2,0,0]=4 3590 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,1,1,0,0,0|2,0,0]=4 3591 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,1,1,0,0,0|2,0,0]=4 3592 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [0,1,1,0,0,0|2,0,0]=4 3593 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [0,1,1,0,0,0|2,0,0]=4 3594 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [0,1,1,0,0,0|2,0,0]=4 3595 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [0,1,1,0,0,0|2,0,0]=4 3596 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [0,1,1,0,0,0|2,0,0]=4 3597 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [0,1,1,0,0,0|2,0,0]=4 3598 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [0,1,1,0,0,0|2,0,0]=4 3599 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [0,1,1,0,0,0|2,0,0]=4 3600 B8R0.7 O=CCOCCC(F)F 34a_100103093639_200009817547 [0,1,1,0,0,0|2,0,0]=4 3601 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,1,1,0,0,0|0,0,0]=2 3602 B8R0.7 [13CH3]C(=O)CCCN=[N+]=[N-] 1458a_100010262590_200025704644 [0,1,1,0,0,0|2,0,0]=4 3603 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,1,1,0,0,0|1,0,0]=3 3604 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,1,1,0,0,0|1,0,0]=3 3605 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,1,1,0,0,0|2,0,0]=4 3606 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,1,1,0,0,0|1,0,0]=3 3607 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,1,1,0,0,0|1,0,0]=3 3608 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [0,1,1,0,0,0|2,0,0]=4 3609 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [0,1,1,0,0,0|2,0,0]=4 3610 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [0,1,1,0,0,0|2,0,0]=4 3611 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [0,1,1,0,0,0|2,0,0]=4 3612 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,1,1,0,0,0|1,0,1]=4 3613 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [0,1,1,0,0,0|2,0,0]=4 3614 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [0,1,1,0,0,0|1,0,1]=4 3615 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [0,1,1,0,0,0|1,0,1]=4 3616 B8R0.8 C=CCCC(C)N(C)C 270004a_100102631434_100000762624 [0,1,1,0,0,0|2,0,0]=4 3617 B8R0.8 C=CCCN(C)C(C)C 2230a_100020639649_100000210206 [0,1,1,0,0,0|2,0,0]=4 3618 B8R0.8 C=CCCN(C)C(C)C 269982a_100020639649_100000210206 [0,1,1,0,0,0|2,0,0]=4 3619 B8R0.8 C=CCCN(C)C(C)C 269982a_200000211004_100000754431 [0,1,1,0,0,0|2,0,0]=4 3620 B8R0.8 C=CCNC(C)C(C)C 2230a_100000211541_100000210623 [0,1,1,0,0,0|2,0,0]=4 3621 B8R0.8 C=CCOC(C)C(C)C 7a_100000748068_100015514636 [0,1,1,0,0,0|2,0,0]=4 3622 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [0,1,1,0,0,0|2,0,0]=4 3623 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [0,1,1,0,0,0|2,0,0]=4 3624 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,1,1,0,0,0|2,0,0]=4 3625 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,1,1,0,0,0|2,0,0]=4 3626 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,1,1,0,0,0|2,0,0]=4 3627 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,1,1,0,0,0|2,0,0]=4 3628 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,1,1,0,0,0|2,0,0]=4 3629 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,1,1,0,0,0|2,0,0]=4 3630 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,1,1,0,0,0|2,0,0]=4 3631 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,1,1,0,0,0|2,0,0]=4 3632 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,1,1,0,0,0|2,0,0]=4 3633 B8R0.8 CC(C)C(C)NCC=O 2230a_100000211541_200015260668 [0,1,1,0,0,0|1,0,0]=3 3634 B8R0.8 CC(C)C(C)OCC=O 7a_100000748068_200015260668 [0,1,1,0,0,0|1,0,0]=3 3635 B8R0.8 CC(C)C(N)CCO[13CH3] 34a_100161115045_200025704644 [0,1,1,0,0,0|2,0,0]=4 3636 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,1,1,0,0,0|0,0,2]=4 3637 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,1,1,0,0,0|0,0,2]=4 3638 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,1,1,0,0,0|0,0,0]=2 3639 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,1,1,0,0,0|0,0,0]=2 3640 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,1,1,0,0,0|0,0,0]=2 3641 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [0,1,1,0,0,0|2,0,0]=4 3642 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [0,1,1,0,0,0|2,0,0]=4 3643 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [0,1,1,0,0,0|2,0,0]=4 3644 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,1,1,0,0,0|0,0,0]=2 3645 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,1,1,0,0,0|0,0,0]=2 3646 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,1,1,0,0,0|1,0,0]=3 3647 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,1,1,0,0,0|1,0,0]=3 3648 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,1,1,0,0,0|1,0,0]=3 3649 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,1,1,0,0,0|1,0,0]=3 3650 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,1,1,0,0,0|1,0,1]=4 3651 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,1,1,0,0,0|1,0,1]=4 3652 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,1,1,0,0,0|2,0,0]=4 3653 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,1,1,0,0,0|2,0,0]=4 3654 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,1,1,0,0,0|2,0,0]=4 3655 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,1,1,0,0,0|1,0,0]=3 3656 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,1,1,0,0,0|2,0,0]=4 3657 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,1,1,0,0,0|2,0,0]=4 3658 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,1,1,0,0,0|2,0,0]=4 3659 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,1,1,0,0,0|2,0,0]=4 3660 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,1,1,0,0,0|2,0,0]=4 3661 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,1,1,0,0,0|2,0,0]=4 3662 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,1,1,0,0,0|1,0,0]=3 3663 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,1,1,0,0,0|1,0,0]=3 3664 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,1,1,0,0,0|2,0,0]=4 3665 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,1,1,0,0,0|2,0,0]=4 3666 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,1,1,0,0,0|2,0,0]=4 3667 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,1,1,0,0,0|2,0,0]=4 3668 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,1,1,0,0,0|2,0,0]=4 3669 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,1,1,0,0,0|2,0,0]=4 3670 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,1,1,0,0,0|2,0,0]=4 3671 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,1,1,0,0,0|2,0,0]=4 3672 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,1,1,0,0,0|1,0,1]=4 3673 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,1,1,0,0,0|1,0,0]=3 3674 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,1,1,0,0,0|1,0,0]=3 3675 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,1,1,0,0,0|2,0,0]=4 3676 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,1,1,0,0,0|1,0,1]=4 3677 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,1,1,0,0,0|1,0,1]=4 3678 B8R0.8 COCCC(N)C(C)C 34a_100161115045_200000210301 [0,1,1,0,0,0|2,0,0]=4 3679 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [0,1,1,0,0,0|2,0,0]=4 3680 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [0,1,1,0,0,0|2,0,0]=4 3681 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [0,1,1,0,0,0|2,0,0]=4 3682 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [0,1,1,0,0,0|2,0,0]=4 3683 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [0,1,1,0,0,0|2,0,0]=4 3684 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [0,1,1,0,0,0|2,0,0]=4 3685 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,1,1,0,0,0|1,0,0]=3 3686 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,1,1,0,0,0|1,0,0]=3 3687 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [0,1,1,0,0,0|2,0,0]=4 3688 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [0,1,1,0,0,0|2,0,0]=4 3689 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [0,1,1,0,0,0|2,0,0]=4 3690 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [0,1,1,0,0,0|2,0,0]=4 3691 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,1,1,0,0,0|2,0,0]=4 3692 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,1,1,0,0,0|2,0,0]=4 3693 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,1,1,0,0,0|2,0,0]=4 3694 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,1,1,0,0,0|1,0,1]=4 3695 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,1,1,0,0,0|1,0,1]=4 3696 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [0,1,1,0,0,0|2,0,0]=4 3697 B8R0.9 C=C(C)CCN(C)CC 2230a_100000225621_100000730704 [0,1,1,0,0,0|2,0,0]=4 3698 B8R0.9 C=C(C)CCN(C)CC 269982a_100000225621_100000730704 [0,1,1,0,0,0|2,0,0]=4 3699 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [0,1,1,0,0,0|2,0,0]=4 3700 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [0,1,1,0,0,0|2,0,0]=4 3701 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [0,1,1,0,0,0|2,0,0]=4 3702 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [0,1,1,0,0,0|2,0,0]=4 3703 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [0,1,1,0,0,0|2,0,0]=4 3704 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,1,1,0,0,0|1,0,1]=4 3705 B8R0.9 C=CC(C)COC(C)C 34a_100011215527_100000210206 [0,1,1,0,0,0|2,0,0]=4 3706 B8R0.9 C=CC(C)COC(C)C 7a_100011215527_100000210206 [0,1,1,0,0,0|2,0,0]=4 3707 B8R0.9 C=CC(C)OCC(C)C 34a_100000695699_100000210624 [0,1,1,0,0,0|2,0,0]=4 3708 B8R0.9 C=CC(C)SCC(C)C 62a_100011215867_100000210760 [0,1,1,0,0,0|2,0,0]=4 3709 B8R0.9 C=CC(O)CNC(C)C 2230a_100138425928_100000730141 [0,1,1,0,0,0|2,0,0]=4 3710 B8R0.9 C=CC(O)CNC(C)C 34a_100138425928_100000730141 [0,1,1,0,0,0|2,0,0]=4 3711 B8R0.9 C=CC(O)COC(C)C 34a_100000212225_100000730141 [0,1,1,0,0,0|2,0,0]=4 3712 B8R0.9 C=CC(O)CSC(C)C 62a_100000210206_100000730141 [0,1,1,0,0,0|2,0,0]=4 3713 B8R0.9 C=CC(O)CSC(C)C 62a_100000730141_100000210206 [0,1,1,0,0,0|2,0,0]=4 3714 B8R0.9 C=C[C@H](N)COC(C)C 34a_100016989147_100000210206 [0,1,1,0,0,0|2,0,0]=4 3715 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,1,1,0,0,0|2,0,0]=4 3716 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,1,1,0,0,0|2,0,0]=4 3717 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,1,1,0,0,0|2,0,0]=4 3718 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [0,1,1,0,0,0|2,0,0]=4 3719 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [0,1,1,0,0,0|2,0,0]=4 3720 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [0,1,1,0,0,0|2,0,0]=4 3721 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [0,1,1,0,0,0|2,0,0]=4 3722 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [0,1,1,0,0,0|2,0,0]=4 3723 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,1,1,0,0,0|2,0,0]=4 3724 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,1,1,0,0,0|2,0,0]=4 3725 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,1,1,0,0,0|2,0,0]=4 3726 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,1,1,0,0,0|2,0,0]=4 3727 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,1,1,0,0,0|1,0,1]=4 3728 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,1,1,0,0,0|1,0,1]=4 3729 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,1,1,0,0,0|1,0,1]=4 3730 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,1,1,0,0,0|1,0,1]=4 3731 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,1,1,0,0,0|1,0,1]=4 3732 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,1,1,0,0,0|1,0,1]=4 3733 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,1,1,0,0,0|0,0,0]=2 3734 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,1,1,0,0,0|0,0,0]=2 3735 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,1,1,0,0,0|1,0,0]=3 3736 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,1,1,0,0,0|1,0,0]=3 3737 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,1,1,0,0,0|1,0,0]=3 3738 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,1,1,0,0,0|1,0,0]=3 3739 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,1,1,0,0,0|2,0,0]=4 3740 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,1,1,0,0,0|2,0,0]=4 3741 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,1,1,0,0,0|2,0,0]=4 3742 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [0,1,1,0,0,0|2,0,0]=4 3743 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,1,1,0,0,0|1,0,0]=3 3744 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,1,1,0,0,0|2,0,0]=4 3745 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,1,1,0,0,0|2,0,0]=4 3746 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,1,1,0,0,0|2,0,0]=4 3747 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,1,1,0,0,0|2,0,0]=4 3748 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,1,1,0,0,0|2,0,0]=4 3749 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,1,1,0,0,0|1,0,0]=3 3750 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,1,1,0,0,0|1,0,0]=3 3751 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,1,1,0,0,0|1,0,0]=3 3752 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,1,1,0,0,0|1,0,0]=3 3753 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,1,1,0,0,0|1,0,0]=3 3754 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [0,1,1,0,0,0|2,0,0]=4 3755 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [0,1,1,0,0,0|2,0,0]=4 3756 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [0,1,1,0,0,0|2,0,0]=4 3757 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [0,1,1,0,0,0|2,0,0]=4 3758 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,1,1,0,0,0|1,0,0]=3 3759 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [0,1,1,0,0,0|2,0,0]=4 3760 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [0,1,1,0,0,0|2,0,0]=4 3761 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,1,1,0,0,0|1,0,0]=3 3762 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,1,1,0,0,0|1,0,0]=3 3763 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,1,1,0,0,0|1,0,1]=4 3764 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,1,1,0,0,0|1,0,1]=4 3765 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [0,1,1,0,0,0|2,0,0]=4 3766 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [0,1,1,0,0,0|2,0,0]=4 3767 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [0,1,1,0,0,0|2,0,0]=4 3768 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [0,1,1,0,0,0|2,0,0]=4 3769 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [0,1,1,0,0,0|2,0,0]=4 3770 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,1,1,0,0,0|1,0,1]=4 3771 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,1,1,0,0,0|1,0,1]=4 3772 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,1,1,0,0,0|2,0,0]=4 3773 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,1,1,0,0,0|2,0,0]=4 3774 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,1,1,0,0,0|2,0,0]=4 3775 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [0,1,1,0,0,0|2,0,0]=4 3776 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [0,1,1,0,0,0|2,0,0]=4 3777 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [0,1,1,0,0,0|2,0,0]=4 3778 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [0,1,1,0,0,0|2,0,0]=4 3779 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,1,1,0,0,0|2,0,0]=4 3780 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,1,1,0,0,0|2,0,0]=4 3781 B8R0.21 C=CCCNC(C)(C)C 2230a_100000715429_100000754431 [0,1,1,0,0,0|2,0,0]=4 3782 B8R0.21 C=CCCOC(C)(C)C 34a_100011205117_100000210625 [0,1,1,0,0,0|2,0,0]=4 3783 B8R0.21 C=CCCOC(C)(C)C 34a_100015890283_100000754431 [0,1,1,0,0,0|2,0,0]=4 3784 B8R0.21 C=CCCOC(C)(C)C 7a_100015890283_100000754431 [0,1,1,0,0,0|2,0,0]=4 3785 B8R0.21 C=CCCSC(C)(C)C 62a_100000211941_100000754431 [0,1,1,0,0,0|2,0,0]=4 3786 B8R0.21 C=CCCSC(C)(C)C 62a_100000754431_100000211941 [0,1,1,0,0,0|2,0,0]=4 3787 B8R0.21 C=CCNCC(C)(C)C 2230a_100000743828_100000210623 [0,1,1,0,0,0|2,0,0]=4 3788 B8R0.21 C=CCNCC(C)(C)C 270004a_100020586998_100011204126 [0,1,1,0,0,0|2,0,0]=4 3789 B8R0.21 C=CCNCC(C)(C)F 2230a_100020643315_100000210623 [0,1,1,0,0,0|2,0,0]=4 3790 B8R0.21 C=CCNCC(C)(C)O 2230a_100000751335_100000210623 [0,1,1,0,0,0|2,0,0]=4 3791 B8R0.21 C=CCOCC(C)(C)C 34a_200000210373_100011219605 [0,1,1,0,0,0|2,0,0]=4 3792 B8R0.21 C=CCOCC(C)(C)F 34a_100000716592_100015514636 [0,1,1,0,0,0|2,0,0]=4 3793 B8R0.21 C=CCOCC(C)(C)F 34a_200000210373_100011997219 [0,1,1,0,0,0|2,0,0]=4 3794 B8R0.21 C=CCOCC(C)(C)O 34a_200000210373_100000764493 [0,1,1,0,0,0|2,0,0]=4 3795 B8R0.21 C=CCSCC(C)(C)C 62a_100000210623_100011219605 [0,1,1,0,0,0|2,0,0]=4 3796 B8R0.21 C=CCSCC(C)(C)C 62a_100011219605_100000210623 [0,1,1,0,0,0|2,0,0]=4 3797 B8R0.21 C=CCSCC(C)(C)F 62a_100000210623_100011997219 [0,1,1,0,0,0|2,0,0]=4 3798 B8R0.21 C=CCSCC(C)(C)F 62a_100011997219_100000210623 [0,1,1,0,0,0|2,0,0]=4 3799 B8R0.21 C=CCSCC(C)(C)O 62a_100000210623_100000764493 [0,1,1,0,0,0|2,0,0]=4 3800 B8R0.21 C=CCSCC(C)(C)O 62a_100000764493_100000210623 [0,1,1,0,0,0|2,0,0]=4 3801 B8R0.21 CC(C)(C)CNCC=O 2230a_100000743828_200015260668 [0,1,1,0,0,0|1,0,0]=3 3802 B8R0.21 CC(C)(C)CSCC=O 62a_100011219605_200015260668 [0,1,1,0,0,0|1,0,0]=3 3803 B8R0.21 CC(C)(C)CSCC=O 62a_200015260668_100011219605 [0,1,1,0,0,0|1,0,0]=3 3804 B8R0.21 CC(C)(F)CNCC=O 2230a_100020643315_200015260668 [0,1,1,0,0,0|1,0,0]=3 3805 B8R0.21 CC(C)(F)COCC=O 34a_100000716592_200009817547 [0,1,1,0,0,0|1,0,0]=3 3806 B8R0.21 CC(C)(F)CSCC=O 62a_100011997219_200015260668 [0,1,1,0,0,0|1,0,0]=3 3807 B8R0.21 CC(C)(F)CSCC=O 62a_200015260668_100011997219 [0,1,1,0,0,0|1,0,0]=3 3808 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_100009888830_200025704644 [0,1,1,0,0,0|2,0,0]=4 3809 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_200025704644_100009888830 [0,1,1,0,0,0|2,0,0]=4 3810 B8R0.21 CC(C)(O)CNCC=O 2230a_100000751335_200015260668 [0,1,1,0,0,0|1,0,0]=3 3811 B8R0.21 CC(C)(O)CSCC=O 62a_100000764493_200015260668 [0,1,1,0,0,0|1,0,0]=3 3812 B8R0.21 CC(C)(O)CSCC=O 62a_200015260668_100000764493 [0,1,1,0,0,0|1,0,0]=3 3813 B8R0.21 CC(F)(F)COCC=O 34a_100000068830_200009817547 [0,1,1,0,0,0|2,0,0]=4 3814 B8R0.21 CCCCNS(=O)(=O)C 40a_100000102301_100000738038 [0,1,1,0,0,0|2,0,0]=4 3815 B8R0.21 CCNCCS(=O)(=O)C 2230a_100000740961_100000210202 [0,1,1,0,0,0|2,0,0]=4 3816 B8R0.21 CCNCCS(=O)(=O)C 2230a_100015525214_100000731031 [0,1,1,0,0,0|2,0,0]=4 3817 B8R0.21 CCNCCS(=O)(=O)C 34a_100000740961_100000210202 [0,1,1,0,0,0|2,0,0]=4 3818 B8R0.21 CCOCCS(=O)(=O)C 34a_100000211924_100000210202 [0,1,1,0,0,0|2,0,0]=4 3819 B8R0.21 CCOCCS(=O)(=O)C 34a_100121572206_100000731031 [0,1,1,0,0,0|2,0,0]=4 3820 B8R0.21 CCOCCS(=O)(=O)C 7a_100000211924_100000210202 [0,1,1,0,0,0|2,0,0]=4 3821 B8R0.21 CCSCCS(=O)(=O)C 62a_100000210202_100000230027 [0,1,1,0,0,0|2,0,0]=4 3822 B8R0.21 CCSCCS(=O)(=O)C 62a_100000731031_100000210202 [0,1,1,0,0,0|2,0,0]=4 3823 B8R0.21 CNCCCC(C)(C)O 2230a_106832991635_100009888830 [0,1,1,0,0,0|2,0,0]=4 3824 B8R0.21 CNCCCC(C)(C)O 34a_100102657272_100009888830 [0,1,1,0,0,0|2,0,0]=4 3825 B8R0.21 CNCCCC(C)(C)O 7a_106832991635_100009888830 [0,1,1,0,0,0|2,0,0]=4 3826 B8R0.21 CNCCCS(=O)(=O)C 2230a_100000742409_200000210301 [0,1,1,0,0,0|2,0,0]=4 3827 B8R0.21 CNCCCS(=O)(=O)C 2230a_106832991635_100000754308 [0,1,1,0,0,0|2,0,0]=4 3828 B8R0.21 CNCCCS(=O)(=O)C 34a_100000742409_200000210301 [0,1,1,0,0,0|2,0,0]=4 3829 B8R0.21 CNCCCS(=O)(=O)C 34a_100102657272_100000754308 [0,1,1,0,0,0|2,0,0]=4 3830 B8R0.21 CNCCCS(=O)(=O)C 7a_106832991635_100000754308 [0,1,1,0,0,0|2,0,0]=4 3831 B8R0.21 COCCCC(C)(C)O 34a_100138415774_100009888830 [0,1,1,0,0,0|2,0,0]=4 3832 B8R0.21 COCCCS(=O)(=O)C 34a_100000689940_200000210301 [0,1,1,0,0,0|2,0,0]=4 3833 B8R0.21 COCCCS(=O)(=O)C 34a_100138415774_100000754308 [0,1,1,0,0,0|2,0,0]=4 3834 B8R0.21 COCCCS(=O)(=O)C 7a_100000689940_200000210301 [0,1,1,0,0,0|2,0,0]=4 3835 B8R0.21 CS(=O)(=O)CCCN[13CH3] 2230a_100000742409_200025704644 [0,1,1,0,0,0|2,0,0]=4 3836 B8R0.21 CS(=O)(=O)CCCN[13CH3] 34a_100000742409_200025704644 [0,1,1,0,0,0|2,0,0]=4 3837 B8R0.21 CS(=O)(=O)CCCO[13CH3] 34a_100000689940_200025704644 [0,1,1,0,0,0|2,0,0]=4 3838 B8R0.21 CS(=O)(=O)CCCO[13CH3] 7a_100000689940_200025704644 [0,1,1,0,0,0|2,0,0]=4 3839 B8R0.21 CS(=O)(=O)CCCS[13CH3] 62a_100000754308_200025704644 [0,1,1,0,0,0|2,0,0]=4 3840 B8R0.21 CS(=O)(=O)CCCS[13CH3] 62a_200025704644_100000754308 [0,1,1,0,0,0|2,0,0]=4 3841 B8R0.21 CSCCCC(C)(C)O 62a_100009888830_200000210301 [0,1,1,0,0,0|2,0,0]=4 3842 B8R0.21 CSCCCC(C)(C)O 62a_200000210301_100009888830 [0,1,1,0,0,0|2,0,0]=4 3843 B8R0.21 CSCCCS(=O)(=O)C 62a_100000754308_200000210301 [0,1,1,0,0,0|2,0,0]=4 3844 B8R0.21 CSCCCS(=O)(=O)C 62a_200000210301_100000754308 [0,1,1,0,0,0|2,0,0]=4 3845 B8R0.21 C[N+](C)(C)CSCC=O 62a_200000036245_200015260668 [0,1,1,0,0,0|2,0,0]=4 3846 B8R0.21 C[N+](C)(C)CSCC=O 62a_200015260668_200000036245 [0,1,1,0,0,0|2,0,0]=4 3847 B8R0.21 C[Si](C)(C)CSCC=O 62a_100000037933_200015260668 [0,1,1,0,0,0|1,1,0]=4 3848 B8R0.21 C[Si](C)(C)CSCC=O 62a_200015260668_100000037933 [0,1,1,0,0,0|1,1,0]=4 3849 B8R0.28 C=C(Br)CCOC(C)C 34a_100009813270_100000210206 [0,1,1,0,0,0|2,0,0]=4 3850 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [0,1,1,0,0,0|2,0,0]=4 3851 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [0,1,1,0,0,0|2,0,0]=4 3852 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [0,1,1,0,0,0|2,0,0]=4 3853 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [0,1,1,0,0,0|2,0,0]=4 3854 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [0,1,1,0,0,0|2,0,0]=4 3855 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [0,1,1,0,0,0|2,0,0]=4 3856 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [0,1,1,0,0,0|2,0,0]=4 3857 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [0,1,1,0,0,0|2,0,0]=4 3858 B8R0.28 C=C(C)CNCC(C)O 2230a_100000210904_100000748629 [0,1,1,0,0,0|2,0,0]=4 3859 B8R0.28 C=C(C)CNCC(C)O 34a_100000210904_100000748629 [0,1,1,0,0,0|2,0,0]=4 3860 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [0,1,1,0,0,0|1,0,1]=4 3861 B8R0.28 C=C(C)COCC(C)Br 34a_100012180447_100000748629 [0,1,1,0,0,0|2,0,0]=4 3862 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [0,1,1,0,0,0|2,0,0]=4 3863 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [0,1,1,0,0,0|2,0,0]=4 3864 B8R0.28 C=C(C)COCC(C)F 34a_100015925927_100000748629 [0,1,1,0,0,0|2,0,0]=4 3865 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [0,1,1,0,0,0|2,0,0]=4 3866 B8R0.28 C=C(C)COC[C@@H](C)Cl 34a_100016084084_100000748629 [0,1,1,0,0,0|2,0,0]=4 3867 B8R0.28 C=C(C)COC[C@@H](C)N 34a_100000737577_100000748629 [0,1,1,0,0,0|2,0,0]=4 3868 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [0,1,1,0,0,0|2,0,0]=4 3869 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [0,1,1,0,0,0|2,0,0]=4 3870 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [0,1,1,0,0,0|2,0,0]=4 3871 B8R0.28 C=C(C)CSCC(C)O 62a_100000748629_100011218427 [0,1,1,0,0,0|2,0,0]=4 3872 B8R0.28 C=C(C)CSCC(C)O 62a_100011218427_100000211660 [0,1,1,0,0,0|2,0,0]=4 3873 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100000748629_100009817552 [0,1,1,0,0,0|2,0,0]=4 3874 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100009817552_100000211660 [0,1,1,0,0,0|2,0,0]=4 3875 B8R0.28 C=C(F)CNCC(C)C 2230a_100000210953_100009893438 [0,1,1,0,0,0|2,0,0]=4 3876 B8R0.28 C=C(F)CNCC(C)C 34a_100000210953_100009893438 [0,1,1,0,0,0|2,0,0]=4 3877 B8R0.28 C=C(F)COCC(C)C 34a_100000210257_100009893438 [0,1,1,0,0,0|2,0,0]=4 3878 B8R0.28 C=C(F)COCC(C)C 34a_200010262243_100000210624 [0,1,1,0,0,0|2,0,0]=4 3879 B8R0.28 C=C(F)CSCC(C)C 62a_100000042424_100000210760 [0,1,1,0,0,0|2,0,0]=4 3880 B8R0.28 C=C(F)CSCC(C)C 62a_100000210624_100000042424 [0,1,1,0,0,0|2,0,0]=4 3881 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,1,1,0,0,0|0,0,2]=4 3882 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,1,1,0,0,0|0,0,2]=4 3883 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,1,1,0,0,0|0,0,1]=3 3884 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,1,1,0,0,0|1,0,1]=4 3885 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,1,1,0,0,0|0,0,0]=2 3886 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,1,1,0,0,0|0,0,0]=2 3887 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,1,1,0,0,0|0,0,0]=2 3888 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,1,1,0,0,0|1,0,0]=3 3889 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,1,1,0,0,0|1,0,0]=3 3890 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [0,1,1,0,0,0|2,0,0]=4 3891 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,1,1,0,0,0|1,0,1]=4 3892 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,1,1,0,0,0|1,0,1]=4 3893 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,1,1,0,0,0|1,0,1]=4 3894 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,1,1,0,0,0|1,0,0]=3 3895 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,1,1,0,0,0|1,0,0]=3 3896 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,1,1,0,0,0|1,0,0]=3 3897 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,1,1,0,0,0|1,0,1]=4 3898 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,1,1,0,0,0|1,0,0]=3 3899 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,1,1,0,0,0|1,0,0]=3 3900 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,1,1,0,0,0|1,0,0]=3 3901 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,1,1,0,0,0|1,0,0]=3 3902 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,1,1,0,0,0|1,0,0]=3 3903 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,1,1,0,0,0|1,0,0]=3 3904 B8R0.28 CC(=O)COCC(F)F 34a_100000211253_100011934356 [0,1,1,0,0,0|2,0,0]=4 3905 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,1,1,0,0,0|1,0,0]=3 3906 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,1,1,0,0,0|1,0,1]=4 3907 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,1,1,0,0,0|1,0,0]=3 3908 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,1,1,0,0,0|1,0,0]=3 3909 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,1,1,0,0,0|1,0,0]=3 3910 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,1,1,0,0,0|1,0,0]=3 3911 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,1,1,0,0,0|1,0,0]=3 3912 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,1,1,0,0,0|1,0,0]=3 3913 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [0,1,1,0,0,0|2,0,0]=4 3914 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [0,1,1,0,0,0|2,0,0]=4 3915 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [0,1,1,0,0,0|2,0,0]=4 3916 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [0,1,1,0,0,0|2,0,0]=4 3917 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [0,1,1,0,0,0|2,0,0]=4 3918 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [0,1,1,0,0,0|2,0,0]=4 3919 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [0,1,1,0,0,0|2,0,0]=4 3920 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [0,1,1,0,0,0|2,0,0]=4 3921 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [0,1,1,0,0,0|2,0,0]=4 3922 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [0,1,1,0,0,0|2,0,0]=4 3923 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [0,1,1,0,0,0|2,0,0]=4 3924 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,1,1,0,0,0|1,0,1]=4 3925 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [0,1,1,0,0,0|2,0,0]=4 3926 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [0,1,1,0,0,0|2,0,0]=4 3927 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,1,1,0,0,0|0,0,2]=4 3928 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,1,1,0,0,0|0,0,0]=2 3929 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [0,1,1,0,0,0|2,0,0]=4 3930 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [0,1,1,0,0,0|2,0,0]=4 3931 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,1,1,0,0,0|1,0,0]=3 3932 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,1,1,0,0,0|1,0,0]=3 3933 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,1,1,0,0,0|1,0,0]=3 3934 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,1,1,0,0,0|1,0,0]=3 3935 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,1,1,0,0,0|1,0,0]=3 3936 B8R0.28 CC(C)CNC[N+](=O)[O-] 34a_100000210953_100000761209 [0,1,1,0,0,0|2,0,0]=4 3937 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,1,1,0,0,0|1,0,0]=3 3938 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,1,1,0,0,0|1,0,0]=3 3939 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,1,1,0,0,0|1,0,0]=3 3940 B8R0.28 CC(C)COC[N+](=O)[O-] 34a_100000210257_100000761209 [0,1,1,0,0,0|2,0,0]=4 3941 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,1,1,0,0,0|1,0,0]=3 3942 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,1,1,0,0,0|1,0,0]=3 3943 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,1,1,0,0,0|1,0,0]=3 3944 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,1,1,0,0,0|1,0,0]=3 3945 B8R0.28 CC(C)CSC[N+](=O)[O-] 62a_100000210624_100000761209 [0,1,1,0,0,0|2,0,0]=4 3946 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,1,1,0,0,0|1,0,0]=3 3947 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,1,1,0,0,0|1,0,0]=3 3948 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [0,1,1,0,0,0|2,0,0]=4 3949 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,1,1,0,0,0|1,0,0]=3 3950 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,1,1,0,0,0|1,0,0]=3 3951 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,1,1,0,0,0|1,0,0]=3 3952 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,1,1,0,0,0|1,0,0]=3 3953 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,1,1,0,0,0|1,0,0]=3 3954 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [0,1,1,0,0,0|2,0,0]=4 3955 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [0,1,1,0,0,0|2,0,0]=4 3956 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [0,1,1,0,0,0|2,0,0]=4 3957 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [0,1,1,0,0,0|2,0,0]=4 3958 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,1,1,0,0,0|2,0,0]=4 3959 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,1,1,0,0,0|2,0,0]=4 3960 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,1,1,0,0,0|2,0,0]=4 3961 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,1,1,0,0,0|2,0,0]=4 3962 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,1,1,0,0,0|2,0,0]=4 3963 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,1,1,0,0,0|2,0,0]=4 3964 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,1,1,0,0,0|2,0,0]=4 3965 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,1,1,0,0,0|2,0,0]=4 3966 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,1,1,0,0,0|2,0,0]=4 3967 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,1,1,0,0,0|1,0,0]=3 3968 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,1,1,0,0,0|1,0,0]=3 3969 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [0,1,1,0,0,0|2,0,0]=4 3970 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [0,1,1,0,0,0|2,0,0]=4 3971 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [0,1,1,0,0,0|2,0,0]=4 3972 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,1,1,0,0,0|1,0,0]=3 3973 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [0,1,1,0,0,0|2,0,0]=4 3974 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [0,1,1,0,0,0|2,0,0]=4 3975 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [0,1,1,0,0,0|2,0,0]=4 3976 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [0,1,1,0,0,0|2,0,0]=4 3977 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,1,1,0,0,0|2,0,0]=4 3978 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,1,1,0,0,0|2,0,0]=4 3979 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,1,1,0,0,0|2,0,0]=4 3980 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,1,1,0,0,0|2,0,0]=4 3981 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,1,1,0,0,0|2,0,0]=4 3982 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,1,1,0,0,0|2,0,0]=4 3983 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [0,1,1,0,0,0|2,0,0]=4 3984 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [0,1,1,0,0,0|0,0,2]=4 3985 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [0,1,1,0,0,0|0,0,2]=4 3986 B8R0.1 C#CCC(=O)CCCF 1458a_100011220946_100011934791 [0,1,1,0,0,0|0,0,2]=4 3987 B8R0.1 C#CCC(=O)CCCO 1458a_100011220946_100011215043 [0,1,1,0,0,0|0,0,2]=4 3988 B8R0.1 C#CCC(=O)CCOC 1458a_100000749529_100000184674 [0,1,1,0,0,0|0,0,2]=4 3989 B8R0.1 C#CCC(=O)CCOC 1458a_100011220946_100000233755 [0,1,1,0,0,0|0,0,2]=4 3990 B8R0.1 C#CCC(=O)CCSC 1458a_100000174002_100000184674 [0,1,1,0,0,0|0,0,2]=4 3991 B8R0.1 C#CCC(=O)CCSC 1458a_100011220946_100000751147 [0,1,1,0,0,0|0,0,2]=4 3992 B8R0.1 C#CCC(=O)COCC 1458a_100000211967_100000184674 [0,1,1,0,0,0|0,0,2]=4 3993 B8R0.1 C#CCC(=O)CSCC 1458a_100000230394_100000184674 [0,1,1,0,0,0|0,0,2]=4 3994 B8R0.1 C#CCC(=O)NCCC 1626a_100020643023_100011220946 [0,1,1,0,0,0|0,0,2]=4 3995 B8R0.1 C#CCC(=O)NCCC 527a_100020643023_100011220946 [0,1,1,0,0,0|0,0,2]=4 3996 B8R0.1 C#CCC(C)OCC=O 34a_100000685586_200009817547 [0,1,1,0,0,0|0,0,2]=4 3997 B8R0.1 C#CCC(C)OCC=O 7a_100000685586_200015260668 [0,1,1,0,0,0|0,0,2]=4 3998 B8R0.1 C#CCC(C)OCCC 34a_100000685586_100000210303 [0,1,1,0,0,0|1,0,1]=4 3999 B8R0.1 C#CCC(C)OCCC 7a_100000685586_100000210303 [0,1,1,0,0,0|1,0,1]=4 4000 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [0,1,1,0,0,0|0,0,1]=3 4001 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [0,1,1,0,0,0|0,0,1]=3 4002 B8R0.1 C#CCCC(=O)CCF 1458a_100000692101_100011217306 [0,1,1,0,0,0|1,0,1]=4 4003 B8R0.1 C#CCCC(=O)CCO 1458a_100000692101_100000211926 [0,1,1,0,0,0|1,0,1]=4 4004 B8R0.1 C#CCCC(=O)CCO 1458a_100011216618_100000753159 [0,1,1,0,0,0|1,0,1]=4 4005 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [0,1,1,0,0,0|1,0,1]=4 4006 B8R0.1 C#CCCC(=O)CSC 1458a_100000184570_100000753159 [0,1,1,0,0,0|1,0,1]=4 4007 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [0,1,1,0,0,0|1,0,1]=4 4008 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [0,1,1,0,0,0|1,0,1]=4 4009 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [0,1,1,0,0,0|1,0,1]=4 4010 B8R0.1 C#CCNC(=O)CCC 11a_100000212058_100000211992 [0,1,1,0,0,0|0,0,2]=4 4011 B8R0.1 C#CCNC(=O)CCC 1626a_100000212058_100000211992 [0,1,1,0,0,0|0,0,2]=4 4012 B8R0.1 C#CCNC(=O)CCC 240690a_100000212058_100000211992 [0,1,1,0,0,0|0,0,2]=4 4013 B8R0.1 C#CCNC(=O)CCC 527a_100000212058_100000211992 [0,1,1,0,0,0|0,0,2]=4 4014 B8R0.1 C#CCNC(C)CCC 2230a_100000741246_100000038162 [0,1,1,0,0,0|1,0,1]=4 4015 B8R0.1 C#CCNC(C)CCC 34a_100000212058_100000766640 [0,1,1,0,0,0|1,0,1]=4 4016 B8R0.1 C#CCOC(C)CCC 34a_100000210247_100000766640 [0,1,1,0,0,0|1,0,1]=4 4017 B8R0.1 C#CCOC(C)CCC 34a_100000764384_100000184674 [0,1,1,0,0,0|1,0,1]=4 4018 B8R0.1 C#CCOC(C)CCC 7a_100000764384_100000038162 [0,1,1,0,0,0|1,0,1]=4 4019 B8R0.1 C#CCSC(C)CCC 62a_100000038162_100000766640 [0,1,1,0,0,0|1,0,1]=4 4020 B8R0.1 C/C=C/C(C)OCC=O 34a_200102604097_200009817547 [0,1,1,0,0,0|0,0,2]=4 4021 B8R0.1 C/C=C/C(C)OCCC 34a_200102604097_100000210303 [0,1,1,0,0,0|1,0,1]=4 4022 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,1,1,0,0,0|0,0,1]=3 4023 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,1,1,0,0,0|1,0,1]=4 4024 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,1,1,0,0,0|1,0,1]=4 4025 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,1,1,0,0,0|1,0,1]=4 4026 B8R0.1 C/C=C/CN(C)CCC 269982a_100000747261_100102629194 [0,1,1,0,0,0|2,0,0]=4 4027 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,1,1,0,0,0|0,0,2]=4 4028 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,1,1,0,0,0|0,0,2]=4 4029 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [0,1,1,0,0,0|0,0,2]=4 4030 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,1,1,0,0,0|0,0,2]=4 4031 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,1,1,0,0,0|0,0,2]=4 4032 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,1,1,0,0,0|0,0,2]=4 4033 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,1,1,0,0,0|0,0,2]=4 4034 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,1,1,0,0,0|0,0,2]=4 4035 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [0,1,1,0,0,0|0,0,2]=4 4036 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [0,1,1,0,0,0|0,0,2]=4 4037 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,1,1,0,0,0|0,0,2]=4 4038 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,1,1,0,0,0|0,0,2]=4 4039 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,1,1,0,0,0|0,0,2]=4 4040 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,1,1,0,0,0|0,0,2]=4 4041 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [0,1,1,0,0,0|1,0,0]=3 4042 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [0,1,1,0,0,0|1,0,0]=3 4043 B8R0.1 C=CCC(C)COCF 34a_100009832082_100015361967 [0,1,1,0,0,0|2,0,0]=4 4044 B8R0.1 C=CCC(C)COCF 7a_100009832082_100015361967 [0,1,1,0,0,0|2,0,0]=4 4045 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,1,1,0,0,0|0,0,1]=3 4046 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,1,1,0,0,0|0,0,1]=3 4047 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [0,1,1,0,0,0|1,0,1]=4 4048 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,1,1,0,0,0|1,0,1]=4 4049 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,1,1,0,0,0|1,0,1]=4 4050 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,1,1,0,0,0|1,0,1]=4 4051 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,1,1,0,0,0|1,0,1]=4 4052 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,1,1,0,0,0|1,0,1]=4 4053 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,1,1,0,0,0|1,0,1]=4 4054 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,1,1,0,0,0|1,0,1]=4 4055 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [0,1,1,0,0,0|2,0,0]=4 4056 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [0,1,1,0,0,0|2,0,0]=4 4057 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [0,1,1,0,0,0|2,0,0]=4 4058 B8R0.1 C=CCCN(C)CC=O 2230a_100020639649_200015260668 [0,1,1,0,0,0|1,0,1]=4 4059 B8R0.1 C=CCCN(C)CC=O 269982a_100020639649_200015260668 [0,1,1,0,0,0|1,0,1]=4 4060 B8R0.1 C=CCCN(C)CCC 2230a_100000747261_100000754431 [0,1,1,0,0,0|2,0,0]=4 4061 B8R0.1 C=CCCN(C)CCC 2230a_100020639649_100000210303 [0,1,1,0,0,0|2,0,0]=4 4062 B8R0.1 C=CCCN(C)CCC 269982a_100000747261_100000754431 [0,1,1,0,0,0|2,0,0]=4 4063 B8R0.1 C=CCCN(C)CCC 269982a_100020639649_100000210303 [0,1,1,0,0,0|2,0,0]=4 4064 B8R0.1 C=CCN(C)CCCC 2230a_100000207549_100000210623 [0,1,1,0,0,0|2,0,0]=4 4065 B8R0.1 C=CCN(C)CCCC 2230a_100000225617_100000210211 [0,1,1,0,0,0|2,0,0]=4 4066 B8R0.1 C=CCN(C)CCCC 269982a_100000207549_100000210623 [0,1,1,0,0,0|2,0,0]=4 4067 B8R0.1 C=CCN(C)CCCC 269982a_100000225617_100000210211 [0,1,1,0,0,0|2,0,0]=4 4068 B8R0.1 C=CCN(C)CCCF 2230a_100000225617_100011934791 [0,1,1,0,0,0|2,0,0]=4 4069 B8R0.1 C=CCN(C)CCCF 269982a_100000225617_100011934791 [0,1,1,0,0,0|2,0,0]=4 4070 B8R0.1 C=CCN(C)CCCO 2230a_100000213112_100000210623 [0,1,1,0,0,0|2,0,0]=4 4071 B8R0.1 C=CCN(C)CCCO 2230a_100000225617_100000230001 [0,1,1,0,0,0|2,0,0]=4 4072 B8R0.1 C=CCN(C)CCCO 269982a_100000213112_100000210623 [0,1,1,0,0,0|2,0,0]=4 4073 B8R0.1 C=CCN(C)CCCO 269982a_100000225617_100011215043 [0,1,1,0,0,0|2,0,0]=4 4074 B8R0.1 C=CCN(C)CCOC 2230a_100000225617_100011201679 [0,1,1,0,0,0|2,0,0]=4 4075 B8R0.1 C=CCN(C)CCOC 2230a_100000743101_100000210623 [0,1,1,0,0,0|2,0,0]=4 4076 B8R0.1 C=CCN(C)CCOC 269982a_100000225617_100000233755 [0,1,1,0,0,0|2,0,0]=4 4077 B8R0.1 C=CCN(C)CCOC 269982a_100000743101_100000210623 [0,1,1,0,0,0|2,0,0]=4 4078 B8R0.1 C=CCN(C)CCSC 2230a_100000225617_100000751147 [0,1,1,0,0,0|2,0,0]=4 4079 B8R0.1 C=CCN(C)CCSC 2230a_100000686725_100000210623 [0,1,1,0,0,0|2,0,0]=4 4080 B8R0.1 C=CCN(C)CCSC 269982a_100000225617_100000212216 [0,1,1,0,0,0|2,0,0]=4 4081 B8R0.1 C=CCN(C)CCSC 269982a_100000686725_100000210623 [0,1,1,0,0,0|2,0,0]=4 4082 B8R0.1 C=CCN(C)COCC 269982a_100000225617_100000739092 [0,1,1,0,0,0|2,0,0]=4 4083 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [0,1,1,0,0,0|0,0,2]=4 4084 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [0,1,1,0,0,0|0,0,2]=4 4085 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [0,1,1,0,0,0|0,0,2]=4 4086 B8R0.1 C=CCNC(C)CCC 2230a_100000741246_100000210623 [0,1,1,0,0,0|1,0,0]=3 4087 B8R0.1 C=CCNC(C)CCC 2230a_100020586998_100000766640 [0,1,1,0,0,0|1,0,0]=3 4088 B8R0.1 C=CCNC(C)CCC 270004a_100020586998_100000211909 [0,1,1,0,0,0|1,0,0]=3 4089 B8R0.1 C=CCNC(C)CCO 2230a_100020586998_100009893172 [0,1,1,0,0,0|2,0,0]=4 4090 B8R0.1 C=CCNC(C)COC 2230a_100020586998_100000765312 [0,1,1,0,0,0|2,0,0]=4 4091 B8R0.1 C=CCNC(C)COC 270004a_100020586998_100000749346 [0,1,1,0,0,0|2,0,0]=4 4092 B8R0.1 C=CCNC(C)CSC 270004a_100020586998_100011216314 [0,1,1,0,0,0|2,0,0]=4 4093 B8R0.1 C=CCN[C@H](C)CCO 2230a_100000706166_100000210623 [0,1,1,0,0,0|2,0,0]=4 4094 B8R0.1 C=CCN[C@H](C)CCO 34a_100000706166_100015514636 [0,1,1,0,0,0|2,0,0]=4 4095 B8R0.1 C=CCN[C@H](C)COC 2230a_100000764878_100000210623 [0,1,1,0,0,0|2,0,0]=4 4096 B8R0.1 C=CCOC(C)CCBr 34a_100012276601_100015514636 [0,1,1,0,0,0|2,0,0]=4 4097 B8R0.1 C=CCOC(C)CCC 34a_100000764384_100015514636 [0,1,1,0,0,0|1,0,0]=3 4098 B8R0.1 C=CCOC(C)CCC 34a_200000210373_100000766640 [0,1,1,0,0,0|1,0,0]=3 4099 B8R0.1 C=CCOC(C)CCC 7a_100000764384_100015514636 [0,1,1,0,0,0|1,0,0]=3 4100 B8R0.1 C=CCOC(C)CCO 34a_200000210373_100009893172 [0,1,1,0,0,0|2,0,0]=4 4101 B8R0.1 C=CCOC(C)COC 34a_200000210373_100000765312 [0,1,1,0,0,0|2,0,0]=4 4102 B8R0.1 C=CCO[C@H](C)COC 34a_100011934205_100015514636 [0,1,1,0,0,0|2,0,0]=4 4103 B8R0.1 C=CCSC(C)CCC 62a_100000210623_100000766640 [0,1,1,0,0,0|1,0,0]=3 4104 B8R0.1 C=CCSC(C)CCC 62a_100000766640_100000210623 [0,1,1,0,0,0|1,0,0]=3 4105 B8R0.1 C=CCSC(C)CCO 62a_100000210623_100009893172 [0,1,1,0,0,0|2,0,0]=4 4106 B8R0.1 C=CCSC(C)CCO 62a_100009893172_100000210623 [0,1,1,0,0,0|2,0,0]=4 4107 B8R0.1 C=CCSC(C)COC 62a_100000210623_100000765312 [0,1,1,0,0,0|2,0,0]=4 4108 B8R0.1 C=CCSC(C)COC 62a_100000765312_100000210623 [0,1,1,0,0,0|2,0,0]=4 4109 B8R0.1 C=CC[C@@H](C)OCC=O 34a_100000731007_200009817547 [0,1,1,0,0,0|0,0,2]=4 4110 B8R0.1 C=CC[C@@H](C)OCC=O 7a_100000731007_200015260668 [0,1,1,0,0,0|0,0,2]=4 4111 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [0,1,1,0,0,0|1,0,0]=3 4112 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [0,1,1,0,0,0|1,0,0]=3 4113 B8R0.1 C=CC[C@@H](C)OCCF 34a_100000731007_100011217306 [0,1,1,0,0,0|2,0,0]=4 4114 B8R0.1 C=CC[C@@H](C)OCCF 7a_100000731007_100011217306 [0,1,1,0,0,0|2,0,0]=4 4115 B8R0.1 C=CC[C@@H](C)OCCO 34a_100000731007_100000211926 [0,1,1,0,0,0|2,0,0]=4 4116 B8R0.1 C=CC[C@@H](C)OCCO 7a_100000731007_100000211926 [0,1,1,0,0,0|2,0,0]=4 4117 B8R0.1 C=CC[C@@H](C)OCSC 34a_100000731007_100011218213 [0,1,1,0,0,0|2,0,0]=4 4118 B8R0.1 C=CC[C@@H](N)COCC 34a_100020615467_100000210202 [0,1,1,0,0,0|2,0,0]=4 4119 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,1,1,0,0,0|0,0,2]=4 4120 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [0,1,1,0,0,0|0,0,2]=4 4121 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [0,1,1,0,0,0|0,0,2]=4 4122 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [0,1,1,0,0,0|0,0,2]=4 4123 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [0,1,1,0,0,0|0,0,2]=4 4124 B8R0.1 CC#CC(C)OCC=O 34a_100011216543_200009817547 [0,1,1,0,0,0|0,0,2]=4 4125 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [0,1,1,0,0,0|0,0,1]=3 4126 B8R0.1 CC#CCC(=O)CCO 1458a_100011216618_100000748600 [0,1,1,0,0,0|1,0,1]=4 4127 B8R0.1 CC#CCC(=O)COC 1458a_100000210968_100000748600 [0,1,1,0,0,0|1,0,1]=4 4128 B8R0.1 CC#CCC(=O)CSC 1458a_100000184570_100000748600 [0,1,1,0,0,0|1,0,1]=4 4129 B8R0.1 CC(CC#N)SCC=O 62a_100009813641_200015260668 [0,1,1,0,0,0|1,0,1]=4 4130 B8R0.1 CC(CC#N)SCC=O 62a_200015260668_100009813641 [0,1,1,0,0,0|1,0,1]=4 4131 B8R0.1 CC(CCBr)OCC=O 34a_100012276601_200009817547 [0,1,1,0,0,0|1,0,0]=3 4132 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [0,1,1,0,0,0|1,0,0]=3 4133 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [0,1,1,0,0,0|1,0,0]=3 4134 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,1,1,0,0,0|0,0,2]=4 4135 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,1,1,0,0,0|0,0,2]=4 4136 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,1,1,0,0,0|0,0,2]=4 4137 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,1,1,0,0,0|0,0,2]=4 4138 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,1,1,0,0,0|0,0,2]=4 4139 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,1,1,0,0,0|0,0,2]=4 4140 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,1,1,0,0,0|0,0,2]=4 4141 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,1,1,0,0,0|0,0,2]=4 4142 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,1,1,0,0,0|0,0,1]=3 4143 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,1,1,0,0,0|0,0,1]=3 4144 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [0,1,1,0,0,0|1,0,1]=4 4145 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,1,1,0,0,0|1,0,1]=4 4146 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,1,1,0,0,0|1,0,1]=4 4147 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,1,1,0,0,0|1,0,1]=4 4148 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,1,1,0,0,0|1,0,1]=4 4149 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,1,1,0,0,0|1,0,1]=4 4150 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,1,1,0,0,0|1,0,1]=4 4151 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,1,1,0,0,0|1,0,1]=4 4152 B8R0.1 CC=CCN(C)CCC 2230a_100000747261_100000070051 [0,1,1,0,0,0|2,0,0]=4 4153 B8R0.1 CC=NNC(=O)CCC 4a_100000189770_200000210099 [0,1,1,0,0,0|1,0,1]=4 4154 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [0,1,1,0,0,0|0,0,1]=3 4155 B8R0.1 CCC#CC(=O)CCF 1458a_100011827653_100011217306 [0,1,1,0,0,0|1,0,1]=4 4156 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [0,1,1,0,0,0|1,0,1]=4 4157 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,1,1,0,0,0|0,0,1]=3 4158 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [0,1,1,0,0,0|1,0,1]=4 4159 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,1,1,0,0,0|1,0,1]=4 4160 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,1,1,0,0,0|1,0,1]=4 4161 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,1,1,0,0,0|1,0,1]=4 4162 B8R0.1 CCCC(=NNCC)C 4a_100000756455_100000211909 [0,1,1,0,0,0|2,0,0]=4 4163 B8R0.1 CCCC(=O)C#CCO 1458a_100000049017_100000210303 [0,1,1,0,0,0|0,0,2]=4 4164 B8R0.1 CCCC(=O)C=COC 1458a_100016268678_100000210303 [0,1,1,0,0,0|0,0,2]=4 4165 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [0,1,1,0,0,0|0,0,1]=3 4166 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [0,1,1,0,0,0|0,0,1]=3 4167 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,1,1,0,0,0|0,0,0]=2 4168 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,1,1,0,0,0|0,0,0]=2 4169 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,1,1,0,0,0|0,0,0]=2 4170 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,1,1,0,0,0|0,0,0]=2 4171 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,1,1,0,0,0|0,0,0]=2 4172 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,1,1,0,0,0|0,0,0]=2 4173 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,1,1,0,0,0|0,0,0]=2 4174 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,1,1,0,0,0|0,0,0]=2 4175 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,1,1,0,0,0|0,0,0]=2 4176 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,1,1,0,0,0|0,0,0]=2 4177 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,1,1,0,0,0|0,0,0]=2 4178 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [0,1,1,0,0,0|1,0,0]=3 4179 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [0,1,1,0,0,0|1,0,0]=3 4180 B8R0.1 CCCC(=O)NCC#N 1626a_100000734998_100000211992 [0,1,1,0,0,0|1,0,1]=4 4181 B8R0.1 CCCC(=O)NCC#N 527a_100000734998_100000211992 [0,1,1,0,0,0|1,0,1]=4 4182 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,1,1,0,0,0|1,0,0]=3 4183 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,1,1,0,0,0|1,0,0]=3 4184 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,1,1,0,0,0|1,0,0]=3 4185 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,1,1,0,0,0|1,0,0]=3 4186 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,1,1,0,0,0|1,0,0]=3 4187 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,1,1,0,0,0|1,0,0]=3 4188 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [0,1,1,0,0,0|1,0,0]=3 4189 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,1,1,0,0,0|1,0,0]=3 4190 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,1,1,0,0,0|1,0,0]=3 4191 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,1,1,0,0,0|1,0,0]=3 4192 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,1,1,0,0,0|1,0,0]=3 4193 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,1,1,0,0,0|1,0,0]=3 4194 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [0,1,1,0,0,0|0,0,2]=4 4195 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [0,1,1,0,0,0|0,0,2]=4 4196 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [0,1,1,0,0,0|0,0,2]=4 4197 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [0,1,1,0,0,0|0,0,2]=4 4198 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [0,1,1,0,0,0|1,0,1]=4 4199 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [0,1,1,0,0,0|1,0,1]=4 4200 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [0,1,1,0,0,0|1,0,1]=4 4201 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [0,1,1,0,0,0|1,0,1]=4 4202 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [0,1,1,0,0,0|1,0,1]=4 4203 B8R0.1 CCCC(C)COCF 34a_100000688023_100015361967 [0,1,1,0,0,0|1,0,1]=4 4204 B8R0.1 CCCC(C)COCF 7a_100000688023_100015361967 [0,1,1,0,0,0|1,0,1]=4 4205 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [0,1,1,0,0,0|1,0,1]=4 4206 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [0,1,1,0,0,0|1,0,1]=4 4207 B8R0.1 CCCC(C)CSCF 62a_100011216630_100015361967 [0,1,1,0,0,0|1,0,1]=4 4208 B8R0.1 CCCC(C)CSCF 62a_100015361967_100011216630 [0,1,1,0,0,0|1,0,1]=4 4209 B8R0.1 CCCC(C)NCC#N 2230a_100000741246_100011215382 [0,1,1,0,0,0|1,0,1]=4 4210 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [0,1,1,0,0,0|0,0,0]=2 4211 B8R0.1 CCCC(C)NCCF 2230a_100000741246_100011217306 [0,1,1,0,0,0|1,0,1]=4 4212 B8R0.1 CCCC(C)NCCF 34a_100000724931_100000766640 [0,1,1,0,0,0|1,0,1]=4 4213 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [0,1,1,0,0,0|0,0,2]=4 4214 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [0,1,1,0,0,0|0,0,2]=4 4215 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [0,1,1,0,0,0|0,0,2]=4 4216 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [0,1,1,0,0,0|0,0,2]=4 4217 B8R0.1 CCCC(C)NCOC 2230a_100000741246_100000766300 [0,1,1,0,0,0|2,0,0]=4 4218 B8R0.1 CCCC(C)NCSC 2230a_100000741246_100011218213 [0,1,1,0,0,0|2,0,0]=4 4219 B8R0.1 CCCC(C)OCC#N 7a_100000764384_100011215382 [0,1,1,0,0,0|1,0,1]=4 4220 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [0,1,1,0,0,0|0,0,0]=2 4221 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [0,1,1,0,0,0|0,0,0]=2 4222 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [0,1,1,0,0,0|1,0,1]=4 4223 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [0,1,1,0,0,0|1,0,1]=4 4224 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [0,1,1,0,0,0|1,0,1]=4 4225 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [0,1,1,0,0,0|1,0,1]=4 4226 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [0,1,1,0,0,0|0,0,2]=4 4227 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [0,1,1,0,0,0|0,0,2]=4 4228 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [0,1,1,0,0,0|2,0,0]=4 4229 B8R0.1 CCCC(C)SCC#N 62a_100000766640_100011215382 [0,1,1,0,0,0|1,0,1]=4 4230 B8R0.1 CCCC(C)SCC#N 62a_100011215382_100000766640 [0,1,1,0,0,0|1,0,1]=4 4231 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [0,1,1,0,0,0|0,0,0]=2 4232 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [0,1,1,0,0,0|0,0,0]=2 4233 B8R0.1 CCCC(C)SCCF 62a_100000766640_100011217306 [0,1,1,0,0,0|1,0,1]=4 4234 B8R0.1 CCCC(C)SCCF 62a_100011217306_100000766640 [0,1,1,0,0,0|1,0,1]=4 4235 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [0,1,1,0,0,0|0,0,2]=4 4236 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [0,1,1,0,0,0|0,0,2]=4 4237 B8R0.1 CCCC(C)SCOC 62a_100000766300_100000766640 [0,1,1,0,0,0|2,0,0]=4 4238 B8R0.1 CCCC(C)SCOC 62a_100000766640_100000766300 [0,1,1,0,0,0|2,0,0]=4 4239 B8R0.1 CCCC(C)SCSC 62a_100000766640_100011218213 [0,1,1,0,0,0|2,0,0]=4 4240 B8R0.1 CCCC(C)SCSC 62a_100011218213_100000766640 [0,1,1,0,0,0|2,0,0]=4 4241 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [0,1,1,0,0,0|1,0,1]=4 4242 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [0,1,1,0,0,0|1,0,1]=4 4243 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,1,1,0,0,0|0,0,0]=2 4244 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,1,1,0,0,0|0,0,0]=2 4245 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,1,1,0,0,0|1,0,0]=3 4246 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,1,1,0,0,0|1,0,0]=3 4247 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,1,1,0,0,0|1,0,0]=3 4248 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,1,1,0,0,0|1,0,0]=3 4249 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,1,1,0,0,0|1,0,0]=3 4250 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,1,1,0,0,0|1,0,0]=3 4251 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,1,1,0,0,0|1,0,0]=3 4252 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,1,1,0,0,0|1,0,0]=3 4253 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,1,1,0,0,0|2,0,0]=4 4254 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [0,1,1,0,0,0|2,0,0]=4 4255 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [0,1,1,0,0,0|2,0,0]=4 4256 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [0,1,1,0,0,0|2,0,0]=4 4257 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [0,1,1,0,0,0|2,0,0]=4 4258 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [0,1,1,0,0,0|1,0,0]=3 4259 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [0,1,1,0,0,0|1,0,0]=3 4260 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [0,1,1,0,0,0|2,0,0]=4 4261 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [0,1,1,0,0,0|2,0,0]=4 4262 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [0,1,1,0,0,0|2,0,0]=4 4263 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [0,1,1,0,0,0|2,0,0]=4 4264 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [0,1,1,0,0,0|2,0,0]=4 4265 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [0,1,1,0,0,0|2,0,0]=4 4266 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [0,1,1,0,0,0|2,0,0]=4 4267 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [0,1,1,0,0,0|2,0,0]=4 4268 B8R0.1 CCCN(C)CCCF 2230a_100000747261_100011934791 [0,1,1,0,0,0|2,0,0]=4 4269 B8R0.1 CCCN(C)CCCF 269982a_100000747261_100011934791 [0,1,1,0,0,0|2,0,0]=4 4270 B8R0.1 CCCN(C)CCCO 2230a_100000213112_100000210303 [0,1,1,0,0,0|2,0,0]=4 4271 B8R0.1 CCCN(C)CCCO 2230a_100000747261_100000230001 [0,1,1,0,0,0|2,0,0]=4 4272 B8R0.1 CCCN(C)CCCO 269982a_100000213112_100000210303 [0,1,1,0,0,0|2,0,0]=4 4273 B8R0.1 CCCN(C)CCCO 269982a_100000747261_100011215043 [0,1,1,0,0,0|2,0,0]=4 4274 B8R0.1 CCCN(C)CCOC 2230a_100000743101_100000210303 [0,1,1,0,0,0|2,0,0]=4 4275 B8R0.1 CCCN(C)CCOC 2230a_100000747261_100011201679 [0,1,1,0,0,0|2,0,0]=4 4276 B8R0.1 CCCN(C)CCOC 2230a_200011192371_200000210301 [0,1,1,0,0,0|2,0,0]=4 4277 B8R0.1 CCCN(C)CCOC 269982a_100000743101_100000210303 [0,1,1,0,0,0|2,0,0]=4 4278 B8R0.1 CCCN(C)CCOC 269982a_100000747261_100000233755 [0,1,1,0,0,0|2,0,0]=4 4279 B8R0.1 CCCN(C)CCOC 269982a_200011192371_200000210301 [0,1,1,0,0,0|2,0,0]=4 4280 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [0,1,1,0,0,0|2,0,0]=4 4281 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [0,1,1,0,0,0|2,0,0]=4 4282 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [0,1,1,0,0,0|2,0,0]=4 4283 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [0,1,1,0,0,0|2,0,0]=4 4284 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [0,1,1,0,0,0|2,0,0]=4 4285 B8R0.1 CCCN([13CH3])CCOC 2230a_200011192371_200025704644 [0,1,1,0,0,0|2,0,0]=4 4286 B8R0.1 CCCN([13CH3])CCOC 269982a_200011192371_200025704644 [0,1,1,0,0,0|2,0,0]=4 4287 B8R0.1 CCCNC(=O)CC#N 1626a_100020643023_100051588842 [0,1,1,0,0,0|1,0,1]=4 4288 B8R0.1 CCCNC(=O)CC#N 240690a_100020643023_100051588842 [0,1,1,0,0,0|1,0,1]=4 4289 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,1,1,0,0,0|0,0,0]=2 4290 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,1,1,0,0,0|0,0,0]=2 4291 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,1,1,0,0,0|0,0,0]=2 4292 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,1,1,0,0,0|0,0,0]=2 4293 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,1,1,0,0,0|1,0,0]=3 4294 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,1,1,0,0,0|1,0,0]=3 4295 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,1,1,0,0,0|1,0,0]=3 4296 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,1,1,0,0,0|1,0,0]=3 4297 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,1,1,0,0,0|1,0,0]=3 4298 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,1,1,0,0,0|1,0,0]=3 4299 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,1,1,0,0,0|1,0,0]=3 4300 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,1,1,0,0,0|1,0,0]=3 4301 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,1,1,0,0,0|1,0,0]=3 4302 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,1,1,0,0,0|1,0,0]=3 4303 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,1,1,0,0,0|1,0,0]=3 4304 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,1,1,0,0,0|1,0,0]=3 4305 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,1,1,0,0,0|1,0,0]=3 4306 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,1,1,0,0,0|1,0,0]=3 4307 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,1,1,0,0,0|1,0,0]=3 4308 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,1,1,0,0,0|1,0,0]=3 4309 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,1,1,0,0,0|1,0,0]=3 4310 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,1,1,0,0,0|1,0,0]=3 4311 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,1,1,0,0,0|1,0,0]=3 4312 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,1,1,0,0,0|1,0,0]=3 4313 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,1,1,0,0,0|1,0,0]=3 4314 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,1,1,0,0,0|1,0,0]=3 4315 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,1,1,0,0,0|1,0,0]=3 4316 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,1,1,0,0,0|1,0,0]=3 4317 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,1,1,0,0,0|1,0,0]=3 4318 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [0,1,1,0,0,0|2,0,0]=4 4319 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [0,1,1,0,0,0|2,0,0]=4 4320 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [0,1,1,0,0,0|2,0,0]=4 4321 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [0,1,1,0,0,0|1,0,1]=4 4322 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [0,1,1,0,0,0|1,0,1]=4 4323 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [0,1,1,0,0,0|2,0,0]=4 4324 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [0,1,1,0,0,0|2,0,0]=4 4325 B8R0.1 CCCN[C@@H](C)CC#N 2230a_100016994482_100000210303 [0,1,1,0,0,0|1,0,1]=4 4326 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [0,1,1,0,0,0|0,0,2]=4 4327 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [0,1,1,0,0,0|0,0,2]=4 4328 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [0,1,1,0,0,0|2,0,0]=4 4329 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,1,1,0,0,0|1,0,0]=3 4330 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,1,1,0,0,0|1,0,0]=3 4331 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,1,1,0,0,0|1,0,0]=3 4332 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,1,1,0,0,0|1,0,0]=3 4333 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,1,1,0,0,0|1,0,0]=3 4334 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,1,1,0,0,0|1,0,0]=3 4335 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,1,1,0,0,0|1,0,0]=3 4336 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,1,1,0,0,0|1,0,0]=3 4337 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [0,1,1,0,0,0|1,0,1]=4 4338 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [0,1,1,0,0,0|1,0,1]=4 4339 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [0,1,1,0,0,0|1,0,1]=4 4340 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [0,1,1,0,0,0|1,0,1]=4 4341 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [0,1,1,0,0,0|0,0,2]=4 4342 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [0,1,1,0,0,0|2,0,0]=4 4343 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [0,1,1,0,0,0|2,0,0]=4 4344 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [0,1,1,0,0,0|2,0,0]=4 4345 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [0,1,1,0,0,0|2,0,0]=4 4346 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [0,1,1,0,0,0|2,0,0]=4 4347 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [0,1,1,0,0,0|2,0,0]=4 4348 B8R0.1 CCCSC(C)CC#N 62a_100000210303_100009813641 [0,1,1,0,0,0|1,0,1]=4 4349 B8R0.1 CCCSC(C)CC#N 62a_100009813641_100000210303 [0,1,1,0,0,0|1,0,1]=4 4350 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [0,1,1,0,0,0|1,0,1]=4 4351 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [0,1,1,0,0,0|1,0,1]=4 4352 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [0,1,1,0,0,0|0,0,2]=4 4353 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [0,1,1,0,0,0|0,0,2]=4 4354 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [0,1,1,0,0,0|2,0,0]=4 4355 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [0,1,1,0,0,0|2,0,0]=4 4356 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [0,1,1,0,0,0|1,0,1]=4 4357 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [0,1,1,0,0,0|1,0,1]=4 4358 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [0,1,1,0,0,0|1,0,1]=4 4359 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [0,1,1,0,0,0|1,0,1]=4 4360 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [0,1,1,0,0,0|1,0,1]=4 4361 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [0,1,1,0,0,0|1,0,1]=4 4362 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,1,1,0,0,0|1,0,0]=3 4363 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,1,1,0,0,0|1,0,0]=3 4364 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,1,1,0,0,0|1,0,0]=3 4365 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,1,1,0,0,0|1,0,0]=3 4366 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,1,1,0,0,0|1,0,0]=3 4367 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,1,1,0,0,0|1,0,0]=3 4368 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,1,1,0,0,0|1,0,0]=3 4369 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,1,1,0,0,0|1,0,0]=3 4370 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,1,1,0,0,0|1,0,0]=3 4371 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,1,1,0,0,0|1,0,0]=3 4372 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,1,1,0,0,0|1,0,0]=3 4373 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,1,1,0,0,0|1,0,0]=3 4374 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,1,1,0,0,0|1,0,0]=3 4375 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,1,1,0,0,0|1,0,0]=3 4376 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,1,1,0,0,0|1,0,0]=3 4377 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,1,1,0,0,0|1,0,0]=3 4378 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,1,1,0,0,0|1,0,0]=3 4379 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,1,1,0,0,0|1,0,0]=3 4380 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,1,1,0,0,0|1,0,0]=3 4381 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,1,1,0,0,0|1,0,0]=3 4382 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,1,1,0,0,0|1,0,0]=3 4383 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,1,1,0,0,0|1,0,0]=3 4384 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,1,1,0,0,0|1,0,0]=3 4385 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [0,1,1,0,0,0|2,0,0]=4 4386 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [0,1,1,0,0,0|2,0,0]=4 4387 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,1,1,0,0,0|2,0,0]=4 4388 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,1,1,0,0,0|2,0,0]=4 4389 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,1,1,0,0,0|2,0,0]=4 4390 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,1,1,0,0,0|2,0,0]=4 4391 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,1,1,0,0,0|2,0,0]=4 4392 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,1,1,0,0,0|2,0,0]=4 4393 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,1,1,0,0,0|2,0,0]=4 4394 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,1,1,0,0,0|2,0,0]=4 4395 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,1,1,0,0,0|1,0,0]=3 4396 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,1,1,0,0,0|1,0,0]=3 4397 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [0,1,1,0,0,0|2,0,0]=4 4398 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,1,1,0,0,0|1,0,0]=3 4399 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [0,1,1,0,0,0|2,0,0]=4 4400 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [0,1,1,0,0,0|2,0,0]=4 4401 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [0,1,1,0,0,0|2,0,0]=4 4402 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [0,1,1,0,0,0|2,0,0]=4 4403 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [0,1,1,0,0,0|2,0,0]=4 4404 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [0,1,1,0,0,0|2,0,0]=4 4405 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,1,1,0,0,0|1,0,0]=3 4406 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,1,1,0,0,0|1,0,0]=3 4407 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,1,1,0,0,0|1,0,0]=3 4408 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,1,1,0,0,0|1,0,0]=3 4409 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,1,1,0,0,0|1,0,0]=3 4410 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,1,1,0,0,0|1,0,0]=3 4411 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,1,1,0,0,0|1,0,0]=3 4412 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,1,1,0,0,0|1,0,0]=3 4413 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,1,1,0,0,0|1,0,0]=3 4414 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,1,1,0,0,0|1,0,0]=3 4415 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,1,1,0,0,0|2,0,0]=4 4416 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,1,1,0,0,0|2,0,0]=4 4417 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,1,1,0,0,0|2,0,0]=4 4418 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,1,1,0,0,0|2,0,0]=4 4419 B8R0.1 CCOCC(=O)CC#N 1458a_100000211967_100011214920 [0,1,1,0,0,0|1,0,1]=4 4420 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [0,1,1,0,0,0|1,0,0]=3 4421 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,1,1,0,0,0|1,0,0]=3 4422 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,1,1,0,0,0|2,0,0]=4 4423 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [0,1,1,0,0,0|2,0,0]=4 4424 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,1,1,0,0,0|1,0,0]=3 4425 B8R0.1 CCOCC(C)CCN 34a_106354213184_100000210202 [0,1,1,0,0,0|1,0,1]=4 4426 B8R0.1 CCSCC(=O)CC#N 1458a_100000230394_100011214920 [0,1,1,0,0,0|1,0,1]=4 4427 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [0,1,1,0,0,0|1,0,0]=3 4428 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,1,1,0,0,0|1,0,0]=3 4429 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [0,1,1,0,0,0|2,0,0]=4 4430 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [0,1,1,0,0,0|2,0,0]=4 4431 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [0,1,1,0,0,0|2,0,0]=4 4432 B8R0.1 CN(CC=O)CCC#N 2230a_100000184479_200015260668 [0,1,1,0,0,0|1,0,1]=4 4433 B8R0.1 CN(CC=O)CCCO 2230a_100000213112_200015260668 [0,1,1,0,0,0|1,0,0]=3 4434 B8R0.1 CN(CC=O)CCCO 269982a_100000213112_200015260668 [0,1,1,0,0,0|1,0,0]=3 4435 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [0,1,1,0,0,0|2,0,0]=4 4436 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [0,1,1,0,0,0|2,0,0]=4 4437 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [0,1,1,0,0,0|2,0,0]=4 4438 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [0,1,1,0,0,0|2,0,0]=4 4439 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [0,1,1,0,0,0|2,0,0]=4 4440 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [0,1,1,0,0,0|1,0,1]=4 4441 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,1,1,0,0,0|1,0,0]=3 4442 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,1,1,0,0,0|1,0,0]=3 4443 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,1,1,0,0,0|1,0,0]=3 4444 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [0,1,1,0,0,0|2,0,0]=4 4445 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [0,1,1,0,0,0|2,0,0]=4 4446 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [0,1,1,0,0,0|2,0,0]=4 4447 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [0,1,1,0,0,0|2,0,0]=4 4448 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,1,1,0,0,0|2,0,0]=4 4449 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,1,1,0,0,0|2,0,0]=4 4450 B8R0.1 COCC(C)SCC=O 62a_100000765312_200015260668 [0,1,1,0,0,0|1,0,0]=3 4451 B8R0.1 COCC(C)SCC=O 62a_200015260668_100000765312 [0,1,1,0,0,0|1,0,0]=3 4452 B8R0.1 COCCC(=O)CC#N 1458a_100000749529_100011214920 [0,1,1,0,0,0|1,0,1]=4 4453 B8R0.1 COCCC(=O)CC#N 1458a_100051588842_100000233755 [0,1,1,0,0,0|1,0,1]=4 4454 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [0,1,1,0,0,0|1,0,0]=3 4455 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,1,1,0,0,0|1,0,0]=3 4456 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,1,1,0,0,0|1,0,0]=3 4457 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,1,1,0,0,0|1,0,0]=3 4458 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,1,1,0,0,0|1,0,0]=3 4459 B8R0.1 COCCN(C)CC=O 2230a_100000743101_200015260668 [0,1,1,0,0,0|1,0,0]=3 4460 B8R0.1 COCCN(C)CC=O 269982a_100000743101_200015260668 [0,1,1,0,0,0|1,0,0]=3 4461 B8R0.1 COC[C@@H](C)NCC=O 2230a_100000764878_200015260668 [0,1,1,0,0,0|1,0,0]=3 4462 B8R0.1 COC[C@@H](C)OCC=O 34a_100011934205_200009817547 [0,1,1,0,0,0|1,0,0]=3 4463 B8R0.1 CSCC(=O)CCC#N 1458a_100000184570_100011215226 [0,1,1,0,0,0|1,0,1]=4 4464 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,1,1,0,0,0|1,0,0]=3 4465 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,1,1,0,0,0|1,0,0]=3 4466 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [0,1,1,0,0,0|2,0,0]=4 4467 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [0,1,1,0,0,0|2,0,0]=4 4468 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [0,1,1,0,0,0|2,0,0]=4 4469 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [0,1,1,0,0,0|2,0,0]=4 4470 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [0,1,1,0,0,0|2,0,0]=4 4471 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [0,1,1,0,0,0|2,0,0]=4 4472 B8R0.1 CSCCC(=O)CC#N 1458a_100000174002_100011214920 [0,1,1,0,0,0|1,0,1]=4 4473 B8R0.1 CSCCC(=O)CC#N 1458a_100051588842_100000751147 [0,1,1,0,0,0|1,0,1]=4 4474 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,1,1,0,0,0|1,0,0]=3 4475 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,1,1,0,0,0|1,0,0]=3 4476 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,1,1,0,0,0|1,0,0]=3 4477 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,1,1,0,0,0|1,0,0]=3 4478 B8R0.1 CSCCN(C)CC=O 2230a_100000686725_200015260668 [0,1,1,0,0,0|1,0,0]=3 4479 B8R0.1 CSCCN(C)CC=O 269982a_100000686725_200015260668 [0,1,1,0,0,0|1,0,0]=3 4480 B8R0.1 C[C@@H](CC#N)NCC=O 2230a_100016994482_200015260668 [0,1,1,0,0,0|1,0,1]=4 4481 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [0,1,1,0,0,0|2,0,0]=4 4482 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [0,1,1,0,0,0|2,0,0]=4 4483 B8R0.1 C[C@H](CCO)NCC=O 2230a_100000706166_200015260668 [0,1,1,0,0,0|1,0,0]=3 4484 B8R0.1 C[C@H](CCO)NCC=O 34a_100000706166_200009817547 [0,1,1,0,0,0|1,0,0]=3 4485 B8R0.1 N#CCC(=O)CCCF 1458a_100051588842_100011934791 [0,1,1,0,0,0|1,0,1]=4 4486 B8R0.1 N#CCC(=O)CCCO 1458a_100051588842_100011215043 [0,1,1,0,0,0|1,0,1]=4 4487 B8R0.1 N#CCCC(=O)CCF 1458a_100011934036_100011217306 [0,1,1,0,0,0|1,0,1]=4 4488 B8R0.1 N#CCCC(=O)CCO 1458a_100011216618_100011215226 [0,1,1,0,0,0|1,0,1]=4 4489 B8R0.1 N#CCCC(=O)CCO 1458a_100011934036_100000211926 [0,1,1,0,0,0|1,0,1]=4 4490 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,1,1,0,0,0|1,0,0]=3 4491 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,1,1,0,0,0|1,0,0]=3 4492 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [0,1,1,0,0,0|2,0,0]=4 4493 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,1,1,0,0,0|2,0,0]=4 4494 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [0,1,1,0,0,0|2,0,0]=4 4495 B8R0.3 C#CC(C)C(=O)CCC 1458a_100000211992_200000035995 [0,1,1,0,0,0|0,0,2]=4 4496 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011192722_100000184674 [0,1,1,0,0,0|0,0,2]=4 4497 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011220946_100000758301 [0,1,1,0,0,0|0,0,2]=4 4498 B8R0.3 C#CCC(=O)C(O)CC 1458a_100011196387_100000184674 [0,1,1,0,0,0|0,0,2]=4 4499 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [0,1,1,0,0,0|0,0,2]=4 4500 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,1,1,0,0,0|1,0,1]=4 4501 B8R0.3 C=CC(C)C(=O)CCC 1458a_100011216780_100000210303 [0,1,1,0,0,0|0,0,2]=4 4502 B8R0.3 C=CC(C)N(C)CCC 269982a_100000747261_100011215867 [0,1,1,0,0,0|2,0,0]=4 4503 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [0,1,1,0,0,0|0,0,2]=4 4504 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [0,1,1,0,0,0|0,0,2]=4 4505 B8R0.3 C=CCC(=O)C(O)CC 1458a_100011196387_100000210623 [0,1,1,0,0,0|0,0,2]=4 4506 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,1,1,0,0,0|1,0,1]=4 4507 B8R0.3 C=CCN(C)C(C)CC 2230a_100000225617_100000758301 [0,1,1,0,0,0|2,0,0]=4 4508 B8R0.3 C=CCN(C)C(C)CC 2230a_100000741768_100000210623 [0,1,1,0,0,0|2,0,0]=4 4509 B8R0.3 C=CCN(C)C(C)CC 269982a_100000225617_100000758301 [0,1,1,0,0,0|2,0,0]=4 4510 B8R0.3 C=CCN(C)C(C)CC 269982a_100000741768_100000210623 [0,1,1,0,0,0|2,0,0]=4 4511 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 34a_100015455354_100000210202 [0,1,1,0,0,0|2,0,0]=4 4512 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 7a_100015455354_100000210202 [0,1,1,0,0,0|2,0,0]=4 4513 B8R0.3 CC#CC(=O)C(C)CC 1458a_100000763181_100000758301 [0,1,1,0,0,0|0,0,2]=4 4514 B8R0.3 CC(CO)N(C)CC=O 2230a_100000693034_200015260668 [0,1,1,0,0,0|2,0,0]=4 4515 B8R0.3 CC(CO)N(C)CC=O 269982a_100000693034_200015260668 [0,1,1,0,0,0|2,0,0]=4 4516 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [0,1,1,0,0,0|0,0,2]=4 4517 B8R0.3 CCC(C)C(=O)CC#N 1458a_100011192722_100011214920 [0,1,1,0,0,0|1,0,1]=4 4518 B8R0.3 CCC(C)C(=O)CC#N 1458a_100051588842_100000758301 [0,1,1,0,0,0|1,0,1]=4 4519 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [0,1,1,0,0,0|1,0,0]=3 4520 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,1,1,0,0,0|1,0,0]=3 4521 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,1,1,0,0,0|1,0,0]=3 4522 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,1,1,0,0,0|1,0,0]=3 4523 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [0,1,1,0,0,0|1,0,0]=3 4524 B8R0.3 CCC(C)C(=O)NNC 22a_100016993582_100011192722 [0,1,1,0,0,0|2,0,0]=4 4525 B8R0.3 CCC(C)N(C)CC=O 2230a_100000741768_200015260668 [0,1,1,0,0,0|1,0,0]=3 4526 B8R0.3 CCC(C)N(C)CC=O 269982a_100000741768_200015260668 [0,1,1,0,0,0|1,0,0]=3 4527 B8R0.3 CCC(O)C(=O)CC#N 1458a_100011196387_100011214920 [0,1,1,0,0,0|1,0,1]=4 4528 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [0,1,1,0,0,0|1,0,0]=3 4529 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,1,1,0,0,0|1,0,0]=3 4530 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [0,1,1,0,0,0|2,0,0]=4 4531 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,1,1,0,0,0|1,0,1]=4 4532 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000211992_100000703298 [0,1,1,0,0,0|1,0,1]=4 4533 B8R0.3 CCCC(=O)C(C)C#N 1458a_100000753662_100000210303 [0,1,1,0,0,0|1,0,1]=4 4534 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,1,1,0,0,0|0,0,0]=2 4535 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,1,1,0,0,0|0,0,0]=2 4536 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,1,1,0,0,0|1,0,0]=3 4537 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,1,1,0,0,0|1,0,0]=3 4538 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,1,1,0,0,0|0,0,0]=2 4539 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,1,1,0,0,0|1,0,0]=3 4540 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,1,1,0,0,0|1,0,0]=3 4541 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,1,1,0,0,0|1,0,0]=3 4542 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,1,1,0,0,0|1,0,0]=3 4543 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,1,1,0,0,0|1,0,0]=3 4544 B8R0.3 CCCC(C)C(C)NC 270004a_106832991635_100011216282 [0,1,1,0,0,0|2,0,0]=4 4545 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [0,1,1,0,0,0|2,0,0]=4 4546 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [0,1,1,0,0,0|2,0,0]=4 4547 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [0,1,1,0,0,0|2,0,0]=4 4548 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [0,1,1,0,0,0|2,0,0]=4 4549 B8R0.3 CCCN(C)C(C)CC 2230a_100000741768_100000210303 [0,1,1,0,0,0|2,0,0]=4 4550 B8R0.3 CCCN(C)C(C)CC 2230a_100000747261_100000758301 [0,1,1,0,0,0|2,0,0]=4 4551 B8R0.3 CCCN(C)C(C)CC 2230a_200011216551_200000210301 [0,1,1,0,0,0|2,0,0]=4 4552 B8R0.3 CCCN(C)C(C)CC 269982a_100000741768_100000210303 [0,1,1,0,0,0|2,0,0]=4 4553 B8R0.3 CCCN(C)C(C)CC 269982a_100000747261_100000758301 [0,1,1,0,0,0|2,0,0]=4 4554 B8R0.3 CCCN(C)C(C)CC 269982a_200011216551_200000210301 [0,1,1,0,0,0|2,0,0]=4 4555 B8R0.3 CCCN([13CH3])C(C)CC 2230a_200011216551_200025704644 [0,1,1,0,0,0|2,0,0]=4 4556 B8R0.3 CCCN([13CH3])C(C)CC 269982a_200011216551_200025704644 [0,1,1,0,0,0|2,0,0]=4 4557 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [0,1,1,0,0,0|2,0,0]=4 4558 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [0,1,1,0,0,0|2,0,0]=4 4559 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [0,1,1,0,0,0|2,0,0]=4 4560 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [0,1,1,0,0,0|2,0,0]=4 4561 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [0,1,1,0,0,0|2,0,0]=4 4562 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [0,1,1,0,0,0|2,0,0]=4 4563 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [0,1,1,0,0,0|2,0,0]=4 4564 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [0,1,1,0,0,0|2,0,0]=4 4565 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [0,1,1,0,0,0|2,0,0]=4 4566 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [0,1,1,0,0,0|2,0,0]=4 4567 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [0,1,1,0,0,0|2,0,0]=4 4568 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [0,1,1,0,0,0|2,0,0]=4 4569 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [0,1,1,0,0,0|2,0,0]=4 4570 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [0,1,1,0,0,0|2,0,0]=4 4571 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [0,1,1,0,0,0|2,0,0]=4 4572 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [0,1,1,0,0,0|2,0,0]=4 4573 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [0,1,1,0,0,0|2,0,0]=4 4574 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,1,1,0,0,0|1,0,1]=4 4575 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [0,1,1,0,0,0|1,0,0]=3 4576 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [0,1,1,0,0,0|1,0,0]=3 4577 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [0,1,1,0,0,0|1,0,0]=3 4578 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [0,1,1,0,0,0|2,0,0]=4 4579 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [0,1,1,0,0,0|2,0,0]=4 4580 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [0,1,1,0,0,0|2,0,0]=4 4581 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [0,1,1,0,0,0|2,0,0]=4 4582 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [0,1,1,0,0,0|2,0,0]=4 4583 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [0,1,1,0,0,0|2,0,0]=4 4584 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [0,1,1,0,0,0|2,0,0]=4 4585 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [0,1,1,0,0,0|2,0,0]=4 4586 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [0,1,1,0,0,0|2,0,0]=4 4587 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [0,1,1,0,0,0|2,0,0]=4 4588 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [0,1,1,0,0,0|2,0,0]=4 4589 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [0,1,1,0,0,0|2,0,0]=4 4590 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [0,1,1,0,0,0|2,0,0]=4 4591 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [0,1,1,0,0,0|2,0,0]=4 4592 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [0,1,1,0,0,0|2,0,0]=4 4593 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [0,1,1,0,0,0|2,0,0]=4 4594 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [0,1,1,0,0,0|2,0,0]=4 4595 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [0,1,1,0,0,0|2,0,0]=4 4596 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,1,1,0,0,0|1,0,0]=3 4597 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [0,1,1,0,0,0|2,0,0]=4 4598 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [0,1,1,0,0,0|2,0,0]=4 4599 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [0,1,1,0,0,0|2,0,0]=4 4600 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,1,1,0,0,0|2,0,0]=4 4601 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,1,1,0,0,0|2,0,0]=4 4602 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,1,1,0,0,0|2,0,0]=4 4603 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,1,1,0,0,0|2,0,0]=4 4604 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,1,1,0,0,0|2,0,0]=4 4605 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,1,1,0,0,0|2,0,0]=4 4606 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,1,1,0,0,0|2,0,0]=4 4607 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,1,1,0,0,0|2,0,0]=4 4608 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,1,1,0,0,0|2,0,0]=4 4609 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,1,1,0,0,0|2,0,0]=4 4610 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,1,1,0,0,0|2,0,0]=4 4611 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,1,1,0,0,0|2,0,0]=4 4612 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,1,1,0,0,0|2,0,0]=4 4613 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,1,1,0,0,0|2,0,0]=4 4614 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,1,1,0,0,0|2,0,0]=4 4615 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,1,1,0,0,0|2,0,0]=4 4616 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,1,1,0,0,0|2,0,0]=4 4617 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,1,1,0,0,0|2,0,0]=4 4618 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [0,1,1,0,0,0|2,0,0]=4 4619 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [0,1,1,0,0,0|2,0,0]=4 4620 B8R0.3 COC(C)C(=O)CCF 1458a_100000743197_100011217306 [0,1,1,0,0,0|2,0,0]=4 4621 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [0,1,1,0,0,0|2,0,0]=4 4622 B8R0.3 CSC(C)C(=O)CCF 1458a_100000149566_100011217306 [0,1,1,0,0,0|2,0,0]=4 4623 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [0,1,1,0,0,0|2,0,0]=4 4624 B8R0.3 O=C(CCF)C(O)CO 1458a_100011215603_100011217306 [0,1,1,0,0,0|2,0,0]=4 4625 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [0,1,1,0,0,0|2,0,0]=4 4626 B8R0.22 C/C=C/C(CCC)OC 34a_200016264281_200000210301 [0,1,1,0,0,0|1,0,1]=4 4627 B8R0.22 C/C=C/C(CCC)OC 7a_200016264281_200000210301 [0,1,1,0,0,0|1,0,1]=4 4628 B8R0.22 C/C=C/C(CCC)O[13CH3] 34a_200016264281_200025704644 [0,1,1,0,0,0|1,0,1]=4 4629 B8R0.22 C/C=C/C(CCC)O[13CH3] 7a_200016264281_200025704644 [0,1,1,0,0,0|1,0,1]=4 4630 B8R0.22 C=CCC(CCC)OC 34a_100011215139_200000210301 [0,1,1,0,0,0|1,0,0]=3 4631 B8R0.22 C=CCC(CCC)OC 7a_100011215139_200000210301 [0,1,1,0,0,0|1,0,0]=3 4632 B8R0.22 C=CCC(CCC)O[13CH3] 34a_100011215139_200025704644 [0,1,1,0,0,0|1,0,0]=3 4633 B8R0.22 C=CCC(CCC)O[13CH3] 7a_100011215139_200025704644 [0,1,1,0,0,0|1,0,0]=3 4634 B8R0.22 C=CCN(CC)CCC 2230a_100000226822_100000210623 [0,1,1,0,0,0|2,0,0]=4 4635 B8R0.22 C=CCN(CC)CCC 269982a_100000226822_100000210623 [0,1,1,0,0,0|2,0,0]=4 4636 B8R0.22 C=CC[C@H](CO)NCC 2230a_100020615467_100000210202 [0,1,1,0,0,0|2,0,0]=4 4637 B8R0.22 CCCC(CCC)NC 2230a_100011207992_200000210301 [0,1,1,0,0,0|1,0,1]=4 4638 B8R0.22 CCCC(CCC)NC 270004a_106832991635_100000210088 [0,1,1,0,0,0|1,0,1]=4 4639 B8R0.22 CCCC(CCC)NC 34a_100011207992_200000210301 [0,1,1,0,0,0|1,0,1]=4 4640 B8R0.22 CCCC(CCC)NC 34a_100102657272_200011218217 [0,1,1,0,0,0|1,0,1]=4 4641 B8R0.22 CCCC(CCC)NC 7a_106832991635_200011218217 [0,1,1,0,0,0|1,0,1]=4 4642 B8R0.22 CCCC(CCC)N[13CH3] 2230a_100011207992_200025704644 [0,1,1,0,0,0|1,0,1]=4 4643 B8R0.22 CCCC(CCC)N[13CH3] 34a_100011207992_200025704644 [0,1,1,0,0,0|1,0,1]=4 4644 B8R0.22 CCCC(CCC)OC 34a_100138415774_200011218217 [0,1,1,0,0,0|0,0,2]=4 4645 B8R0.22 CCCC(CCC)OC 34a_200011218534_200000210301 [0,1,1,0,0,0|0,0,2]=4 4646 B8R0.22 CCCC(CCC)OC 7a_200011218534_200000210301 [0,1,1,0,0,0|0,0,2]=4 4647 B8R0.22 CCCC(CCC)O[13CH3] 34a_200011218534_200025704644 [0,1,1,0,0,0|0,0,2]=4 4648 B8R0.22 CCCC(CCC)O[13CH3] 7a_200011218534_200025704644 [0,1,1,0,0,0|0,0,2]=4 4649 B8R0.22 CCCC(CCC)SC 62a_200000210301_200011218217 [0,1,1,0,0,0|0,1,1]=4 4650 B8R0.22 CCCC(CCC)SC 62a_200011218217_200000210301 [0,1,1,0,0,0|0,1,1]=4 4651 B8R0.22 CCCC(CCC)S[13CH3] 62a_200011218217_200025704644 [0,1,1,0,0,0|0,1,1]=4 4652 B8R0.22 CCCC(CCC)S[13CH3] 62a_200025704644_200011218217 [0,1,1,0,0,0|0,1,1]=4 4653 B8R0.22 CCCN(CC)CC=O 2230a_100000226822_200015260668 [0,1,1,0,0,0|1,0,0]=3 4654 B8R0.22 CCCN(CC)CC=O 269982a_100000226822_200015260668 [0,1,1,0,0,0|1,0,0]=3 4655 B8R0.22 CCCN(CC)CCC 2230a_100000210455_100000210202 [0,1,1,0,0,0|2,0,0]=4 4656 B8R0.22 CCCN(CC)CCC 2230a_100000226822_100000210303 [0,1,1,0,0,0|2,0,0]=4 4657 B8R0.22 CCCN(CC)CCC 269982a_100000210455_100000204670 [0,1,1,0,0,0|2,0,0]=4 4658 B8R0.22 CCCN(CC)CCC 269982a_100000226822_100000210303 [0,1,1,0,0,0|2,0,0]=4 4659 B8R0.22 CCCN(CF)CCC 269982a_100000210455_100015361967 [0,1,1,0,0,0|2,0,0]=4 4660 B8R0.22 CCC[C@@H](CCO)NC 2230a_100015193777_200000210301 [0,1,1,0,0,0|0,0,2]=4 4661 B8R0.22 CCC[C@@H](CCO)NC 34a_100015193777_200000210301 [0,1,1,0,0,0|0,0,2]=4 4662 B8R0.22 CCC[C@@H](CCO)N[13CH3] 2230a_100015193777_200025704644 [0,1,1,0,0,0|0,0,2]=4 4663 B8R0.22 CCC[C@@H](CCO)N[13CH3] 34a_100015193777_200025704644 [0,1,1,0,0,0|0,0,2]=4 4664 B8R0.22 CCN(CC=O)CCO 2230a_100000210973_200015260668 [0,1,1,0,0,0|2,0,0]=4 4665 B8R0.22 CCN(CC=O)CCO 269982a_100000210973_200015260668 [0,1,1,0,0,0|2,0,0]=4 4666 B8R0.30 C=CCC(C)(C)OCC 7a_100011995686_100000210202 [0,1,1,0,0,0|2,0,0]=4 4667 B8R0.30 CCCC(C)(C)COC 7a_100011995695_200000210301 [0,1,1,0,0,0|2,0,0]=4 4668 B8R0.30 CCCC(C)(C)CO[13CH3] 7a_100011995695_200025704644 [0,1,1,0,0,0|2,0,0]=4 4669 B8R0.30 CCCS(=O)(=O)NCC 270084a_100015525214_100000211391 [0,1,1,0,0,0|2,0,0]=4 4670 B8R0.30 CCCS(=O)(=O)NCC 274078a_100015525214_100000211391 [0,1,1,0,0,0|2,0,0]=4 4671 B8R0.30 CCCS(=O)(=O)NCC 40a_100015525214_100000054278 [0,1,1,0,0,0|2,0,0]=4 4672 B8R1.2 CCN1CC=CCC1 2230a_100000698166_100000210202 [1,1,0,0,0,0|1,0,1]=4 4673 B8R1.2 CCN1CC=CCC1 269982a_100000698166_100000204670 [1,1,0,0,0,0|1,0,1]=4 4674 B8R1.2 CCN1CC=CCC1 34a_100000698166_100000210202 [1,1,0,0,0,0|1,0,1]=4 4675 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [1,1,0,0,0,0|2,0,0]=4 4676 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [1,1,0,0,0,0|2,0,0]=4 4677 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [1,1,0,0,0,0|2,0,0]=4 4678 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [1,1,0,0,0,0|0,0,1]=3 4679 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [1,1,0,0,0,0|0,0,1]=3 4680 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [1,1,0,0,0,0|0,0,1]=3 4681 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [1,1,0,0,0,0|0,0,1]=3 4682 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [1,1,0,0,0,0|0,0,1]=3 4683 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [1,1,0,0,0,0|0,0,1]=3 4684 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [1,1,0,0,0,0|0,0,1]=3 4685 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [1,1,0,0,0,0|1,0,0]=3 4686 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [1,1,0,0,0,0|1,0,0]=3 4687 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [1,1,0,0,0,0|1,0,0]=3 4688 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [1,1,0,0,0,0|1,0,0]=3 4689 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [1,1,0,0,0,0|1,0,0]=3 4690 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [1,1,0,0,0,0|1,0,0]=3 4691 B8R1.2 CNC1CCNCC1 270004a_106832991635_100015192401 [1,1,0,0,0,0|1,0,1]=4 4692 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [1,1,0,0,0,0|1,0,1]=4 4693 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [1,1,0,0,0,0|1,0,1]=4 4694 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [1,1,0,0,0,0|1,0,1]=4 4695 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [1,1,0,0,0,0|1,0,1]=4 4696 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [1,1,0,0,0,0|1,0,1]=4 4697 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [1,1,0,0,0,0|1,0,1]=4 4698 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [1,1,0,0,0,0|1,0,1]=4 4699 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [1,1,0,0,0,0|1,0,1]=4 4700 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [1,1,0,0,0,0|1,0,1]=4 4701 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [1,1,0,0,0,0|0,0,1]=3 4702 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [1,1,0,0,0,0|0,0,1]=3 4703 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,1,0,0,0,0|0,0,1]=3 4704 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,1,0,0,0,0|0,0,1]=3 4705 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,1,0,0,0,0|0,0,1]=3 4706 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [1,1,0,0,0,0|1,0,1]=4 4707 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [1,1,0,0,0,0|1,0,0]=3 4708 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [1,1,0,0,0,0|1,0,0]=3 4709 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [1,1,0,0,0,0|1,0,0]=3 4710 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [1,1,0,0,0,0|1,0,1]=4 4711 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [1,1,0,0,0,0|1,0,1]=4 4712 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [1,1,0,0,0,0|1,0,1]=4 4713 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [1,1,0,0,0,0|1,0,1]=4 4714 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [1,1,0,0,0,0|0,0,1]=3 4715 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [1,1,0,0,0,0|0,0,1]=3 4716 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,1,0,0,0,0|0,0,1]=3 4717 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,1,0,0,0,0|0,0,1]=3 4718 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [1,1,0,0,0,0|1,0,0]=3 4719 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [1,1,0,0,0,0|1,0,1]=4 4720 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [1,1,0,0,0,0|1,0,1]=4 4721 B8R1.2 FCN1CC=CCC1 269982a_100000698166_100015361967 [1,1,0,0,0,0|1,0,1]=4 4722 B8R1.2 FCN1CC=CCC1 34a_100000698166_100015361967 [1,1,0,0,0,0|1,0,1]=4 4723 B8R1.2 FCN1CCCOC1 269982a_100000131196_100015361967 [1,1,0,0,0,0|2,0,0]=4 4724 B8R1.2 FCN1CCCOC1 34a_100000131196_100015361967 [1,1,0,0,0,0|2,0,0]=4 4725 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [1,1,0,0,0,0|0,0,1]=3 4726 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [1,1,0,0,0,0|0,0,1]=3 4727 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [1,1,0,0,0,0|1,0,0]=3 4728 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [1,1,0,0,0,0|1,0,0]=3 4729 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [1,1,0,0,0,0|1,0,1]=4 4730 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [1,1,0,0,0,0|1,0,1]=4 4731 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [1,1,0,0,0,0|1,0,1]=4 4732 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [1,1,0,0,0,0|1,0,1]=4 4733 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [1,1,0,0,0,0|0,0,1]=3 4734 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [1,1,0,0,0,0|0,0,1]=3 4735 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,1,0,0,0,0|0,0,1]=3 4736 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,1,0,0,0,0|0,0,1]=3 4737 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [1,1,0,0,0,0|1,0,1]=4 4738 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [1,1,0,0,0,0|1,0,0]=3 4739 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [1,1,0,0,0,0|1,0,0]=3 4740 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [1,1,0,0,0,0|1,0,1]=4 4741 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [1,1,0,0,0,0|1,0,1]=4 4742 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [1,1,0,0,0,0|1,0,1]=4 4743 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [1,1,0,0,0,0|0,0,1]=3 4744 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [1,1,0,0,0,0|0,0,1]=3 4745 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,1,0,0,0,0|0,0,1]=3 4746 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,1,0,0,0,0|0,0,1]=3 4747 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [1,1,0,0,0,0|1,0,0]=3 4748 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [1,1,0,0,0,0|1,0,1]=4 4749 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [1,1,0,0,0,0|1,0,1]=4 4750 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [1,1,0,0,0,0|2,0,0]=4 4751 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [1,1,0,0,0,0|2,0,0]=4 4752 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [1,1,0,0,0,0|2,0,0]=4 4753 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [1,1,0,0,0,0|2,0,0]=4 4754 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [1,1,0,0,0,0|2,0,0]=4 4755 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [1,1,0,0,0,0|2,0,0]=4 4756 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [1,1,0,0,0,0|1,0,1]=4 4757 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [1,1,0,0,0,0|1,0,1]=4 4758 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [1,1,0,0,0,0|1,0,1]=4 4759 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [1,1,0,0,0,0|1,0,1]=4 4760 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [1,1,0,0,0,0|1,0,1]=4 4761 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [1,1,0,0,0,0|1,0,1]=4 4762 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [1,1,0,0,0,0|1,0,1]=4 4763 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [1,1,0,0,0,0|1,0,1]=4 4764 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [1,1,0,0,0,0|1,0,1]=4 4765 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [1,1,0,0,0,0|1,0,1]=4 4766 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [1,1,0,0,0,0|1,0,1]=4 4767 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [1,1,0,0,0,0|1,0,1]=4 4768 B8R1.3 CN1CCC(CC1)F 2230a_100015193889_200000210301 [1,1,0,0,0,0|1,0,1]=4 4769 B8R1.3 CN1CCC(CC1)F 269982a_100015193889_200000210301 [1,1,0,0,0,0|1,0,1]=4 4770 B8R1.3 CN1CCC(CC1)F 34a_100015193889_200000210301 [1,1,0,0,0,0|1,0,1]=4 4771 B8R1.3 CN1CCC(CC1)O 2230a_100025773856_200000210301 [1,1,0,0,0,0|1,0,1]=4 4772 B8R1.3 CN1CCC(CC1)O 269982a_100025773856_200000210301 [1,1,0,0,0,0|1,0,1]=4 4773 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [1,1,0,0,0,0|2,0,0]=4 4774 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [1,1,0,0,0,0|2,0,0]=4 4775 B8R1.3 [13CH3]N1CCC(CC1)F 2230a_100015193889_200025704644 [1,1,0,0,0,0|1,0,1]=4 4776 B8R1.3 [13CH3]N1CCC(CC1)F 269982a_100015193889_200025704644 [1,1,0,0,0,0|1,0,1]=4 4777 B8R1.3 [13CH3]N1CCC(CC1)F 34a_100015193889_200025704644 [1,1,0,0,0,0|1,0,1]=4 4778 B8R1.3 [13CH3]N1CCC(CC1)O 2230a_100025773856_200025704644 [1,1,0,0,0,0|1,0,1]=4 4779 B8R1.3 [13CH3]N1CCC(CC1)O 269982a_100025773856_200025704644 [1,1,0,0,0,0|1,0,1]=4 4780 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [1,1,0,0,0,0|2,0,0]=4 4781 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [1,1,0,0,0,0|2,0,0]=4 4782 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [1,1,0,0,0,0|1,0,1]=4 4783 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [1,1,0,0,0,0|1,0,1]=4 4784 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [1,1,0,0,0,0|1,0,1]=4 4785 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [1,1,0,0,0,0|1,0,1]=4 4786 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [1,1,0,0,0,0|1,0,1]=4 4787 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [1,1,0,0,0,0|1,0,1]=4 4788 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [1,1,0,0,0,0|2,0,0]=4 4789 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [1,1,0,0,0,0|2,0,0]=4 4790 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [1,1,0,0,0,0|2,0,0]=4 4791 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [1,1,0,0,0,0|2,0,0]=4 4792 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [1,1,0,0,0,0|2,0,0]=4 4793 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [1,1,0,0,0,0|2,0,0]=4 4794 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [0,1,0,0,1,0|0,0,2]=4 4795 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [0,1,0,0,1,0|2,0,0]=4 4796 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [0,1,0,0,1,0|2,0,0]=4 4797 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [0,1,0,0,1,0|2,0,0]=4 4798 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,1,0,0,1,0|2,0,0]=4 4799 B8R1.1 CN1CCC(C1)CO 2230a_100000748654_200000210301 [0,1,0,0,1,0|2,0,0]=4 4800 B8R1.1 CN1CCC(C1)CO 269982a_100000748654_200000210301 [0,1,0,0,1,0|2,0,0]=4 4801 B8R1.1 CN1CCC(C1)CO 34a_100000748654_200000210301 [0,1,0,0,1,0|2,0,0]=4 4802 B8R1.1 CN1CCC(C1)S[13CH3] 62a_200025704644_200012183744 [0,1,0,0,1,0|2,0,0]=4 4803 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [0,1,0,0,1,0|1,0,1]=4 4804 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [0,1,0,0,1,0|0,0,2]=4 4805 B8R1.1 CNC1CCN(C1)C 7a_106832991635_200012183744 [0,1,0,0,1,0|2,0,0]=4 4806 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,1,0,0,1,0|1,0,0]=3 4807 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,1,0,0,1,0|2,0,0]=4 4808 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [0,1,0,0,1,0|0,0,2]=4 4809 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,1,0,0,1,0|0,0,0]=2 4810 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [0,1,0,0,1,0|0,0,2]=4 4811 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,1,0,0,1,0|1,0,0]=3 4812 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,1,0,0,1,0|2,0,0]=4 4813 B8R1.1 CO[C@@H]1CCN(C1)C 2230a_100000766984_200000210301 [0,1,0,0,1,0|2,0,0]=4 4814 B8R1.1 CO[C@@H]1CCN(C1)C 269982a_100000766984_200000210301 [0,1,0,0,1,0|2,0,0]=4 4815 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 2230a_100000766984_200025704644 [0,1,0,0,1,0|2,0,0]=4 4816 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 269982a_100000766984_200025704644 [0,1,0,0,1,0|2,0,0]=4 4817 B8R1.1 CSC1CCN(C1)C 62a_200000210301_200012183744 [0,1,0,0,1,0|2,0,0]=4 4818 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,1,0,0,1,0|2,0,0]=4 4819 B8R1.1 C[C@@H]1CCN(C1)CF 269982a_100016987628_100015361967 [0,1,0,0,1,0|2,0,0]=4 4820 B8R1.1 C[C@@H]1CCN(C1)CF 34a_100016987628_100015361967 [0,1,0,0,1,0|2,0,0]=4 4821 B8R1.1 [13CH3]N1CCC(C1)CO 2230a_100000748654_200025704644 [0,1,0,0,1,0|2,0,0]=4 4822 B8R1.1 [13CH3]N1CCC(C1)CO 269982a_100000748654_200025704644 [0,1,0,0,1,0|2,0,0]=4 4823 B8R1.1 [13CH3]N1CCC(C1)CO 34a_100000748654_200025704644 [0,1,0,0,1,0|2,0,0]=4 4824 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,1,0,0,1,0|1,0,0]=3 4825 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [0,1,0,0,1,0|0,0,2]=4 4826 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,1,0,0,1,0|0,0,0]=2 4827 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,1,0,0,1,0|1,0,0]=3 4828 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,1,0,0,1,0|2,0,0]=4 4829 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 2230a_200015306588_200000210301 [0,1,0,0,1,0|2,0,0]=4 4830 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 269982a_200015306588_200000210301 [0,1,0,0,1,0|2,0,0]=4 4831 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 2230a_200015306588_200025704644 [0,1,0,0,1,0|2,0,0]=4 4832 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 269982a_200015306588_200025704644 [0,1,0,0,1,0|2,0,0]=4 4833 B8R1.51 CC1(CCN(C1)[13CH3])C 2230a_100000764714_200025704644 [0,1,0,0,1,0|2,0,0]=4 4834 B8R1.51 CC1(CCN(C1)[13CH3])C 269982a_100000764714_200025704644 [0,1,0,0,1,0|2,0,0]=4 4835 B8R1.51 CC1(CCN(C1)[13CH3])O 2230a_100000718628_200025704644 [0,1,0,0,1,0|2,0,0]=4 4836 B8R1.51 CC1(CCN(C1)[13CH3])O 269982a_100000718628_200025704644 [0,1,0,0,1,0|2,0,0]=4 4837 B8R1.51 CN1CCC(C1)(C)C 2230a_100000764714_200000210301 [0,1,0,0,1,0|2,0,0]=4 4838 B8R1.51 CN1CCC(C1)(C)C 269982a_100000764714_200000210301 [0,1,0,0,1,0|2,0,0]=4 4839 B8R1.51 CN1CCC(C1)(C)O 2230a_100000718628_200000210301 [0,1,0,0,1,0|2,0,0]=4 4840 B8R1.51 CN1CCC(C1)(C)O 269982a_100000718628_200000210301 [0,1,0,0,1,0|2,0,0]=4 4841 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [0,1,0,0,1,0|0,0,2]=4 4842 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [0,1,0,0,1,0|0,0,2]=4 4843 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [0,1,0,0,1,0|2,0,0]=4 4844 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [0,1,0,0,1,0|2,0,0]=4 4845 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [0,1,0,0,1,0|2,0,0]=4 4846 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [0,1,0,0,1,0|2,0,0]=4 4847 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [0,1,0,0,1,0|2,0,0]=4 4848 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [0,1,0,0,1,0|2,0,0]=4 4849 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [0,1,0,0,1,0|2,0,0]=4 4850 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [0,1,0,0,1,0|2,0,0]=4 4851 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [0,1,0,0,1,0|2,0,0]=4 4852 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [0,1,0,0,1,0|2,0,0]=4 4853 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [0,1,0,0,1,0|2,0,0]=4 4854 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [0,1,0,0,1,0|2,0,0]=4 4855 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [0,1,0,0,1,0|2,0,0]=4 4856 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [0,1,0,0,1,0|2,0,0]=4 4857 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,1,0,0,1,0|0,0,0]=2 4858 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,1,0,0,1,0|0,0,0]=2 4859 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,1,0,0,1,0|0,0,0]=2 4860 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [0,1,0,0,1,0|1,0,1]=4 4861 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,1,0,0,1,0|1,0,0]=3 4862 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,1,0,0,1,0|1,0,0]=3 4863 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,0,1,0|1,0,0]=3 4864 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,0,1,0|1,0,0]=3 4865 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,0,1,0|1,0,0]=3 4866 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [0,1,0,0,1,0|2,0,0]=4 4867 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [0,1,0,0,1,0|2,0,0]=4 4868 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,0,1,0|0,0,0]=2 4869 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,0,1,0|0,0,0]=2 4870 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [0,1,0,0,1,0|0,0,2]=4 4871 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [0,1,0,0,1,0|0,0,2]=4 4872 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,1,0,0,1,0|1,0,0]=3 4873 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [0,1,0,0,1,0|1,0,1]=4 4874 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [0,1,0,0,1,0|1,0,1]=4 4875 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,1,0,0,1,0|1,0,0]=3 4876 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,0,1,0|0,0,0]=2 4877 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,0,1,0|0,0,0]=2 4878 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,1,0,0,1,0|1,0,0]=3 4879 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,1,0,0,1,0|1,0,0]=3 4880 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [0,1,0,0,1,0|0,0,2]=4 4881 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [0,1,0,0,1,0|0,0,2]=4 4882 B8R1.11 C[C@@H]1CCCN1CF 269982a_100015189458_100015361967 [0,1,0,0,1,0|2,0,0]=4 4883 B8R1.11 C[C@@H]1CCCN1CF 34a_100015189458_100015361967 [0,1,0,0,1,0|2,0,0]=4 4884 B8R1.11 C[C@H]1CCCN1CF 269982a_100020605311_100015361967 [0,1,0,0,1,0|2,0,0]=4 4885 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [0,1,0,0,1,0|2,0,0]=4 4886 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [0,1,0,0,1,0|2,0,0]=4 4887 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [0,1,0,0,1,0|2,0,0]=4 4888 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,1,0,0,1,0|1,0,0]=3 4889 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,1,0,0,1,0|1,0,0]=3 4890 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [0,1,0,0,1,0|2,0,0]=4 4891 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [0,1,0,0,1,0|2,0,0]=4 4892 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,0,1,0|0,0,0]=2 4893 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [0,1,0,0,1,0|1,0,1]=4 4894 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [0,1,0,0,1,0|1,0,1]=4 4895 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,1,0,0,1,0|1,0,0]=3 4896 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,0,1,0|0,0,0]=2 4897 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,0,1,0|0,0,0]=2 4898 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,1,0,0,1,0|1,0,0]=3 4899 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,1,0,0,1,0|1,0,0]=3 4900 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [0,1,0,0,1,0|0,0,2]=4 4901 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [0,1,0,0,1,0|0,0,2]=4 4902 B8R1.19 CC1(CCCN1[13CH3])C 2230a_100000761399_200025704644 [0,1,0,0,1,0|2,0,0]=4 4903 B8R1.19 CC1(CCCN1[13CH3])C 269982a_100000761399_200025704644 [0,1,0,0,1,0|2,0,0]=4 4904 B8R1.19 CC1(CCCN1[13CH3])C 34a_100000761399_200025704644 [0,1,0,0,1,0|2,0,0]=4 4905 B8R1.19 CN1CCCC1(C)C 2230a_100000761399_200000210301 [0,1,0,0,1,0|2,0,0]=4 4906 B8R1.19 CN1CCCC1(C)C 269982a_100000761399_200000210301 [0,1,0,0,1,0|2,0,0]=4 4907 B8R1.19 CN1CCCC1(C)C 34a_100000761399_200000210301 [0,1,0,0,1,0|2,0,0]=4 4908 B10R1.162 CCN1CCCNC(=O)C1 2230a_100015190381_100000210202 [0,1,0,0,0,1|1,0,0]=3 4909 B10R1.162 CN1CCOCC(C1)CO 2230a_100103147999_200000210301 [0,1,0,0,0,1|2,0,0]=4 4910 B10R1.162 CN1CCOCC(C1)CO 269982a_100103147999_200000210301 [0,1,0,0,0,1|2,0,0]=4 4911 B10R1.162 CN1CCOCC(C1)CO 34a_100103147999_200000210301 [0,1,0,0,0,1|2,0,0]=4 4912 B10R1.162 [13CH3]N1CCOCC(C1)CO 2230a_100103147999_200025704644 [0,1,0,0,0,1|2,0,0]=4 4913 B10R1.162 [13CH3]N1CCOCC(C1)CO 269982a_100103147999_200025704644 [0,1,0,0,0,1|2,0,0]=4 4914 B10R1.162 [13CH3]N1CCOCC(C1)CO 34a_100103147999_200025704644 [0,1,0,0,0,1|2,0,0]=4 4915 B10R1.276 CC1(COCCN(C1)[13CH3])O 2230a_100011091861_200025704644 [0,1,0,0,0,1|2,0,0]=4 4916 B10R1.276 CC1(COCCN(C1)[13CH3])O 269982a_100011091861_200025704644 [0,1,0,0,0,1|2,0,0]=4 4917 B10R1.276 CN1CCOCC(C1)(C)O 2230a_100011091861_200000210301 [0,1,0,0,0,1|2,0,0]=4 4918 B10R1.276 CN1CCOCC(C1)(C)O 269982a_100011091861_200000210301 [0,1,0,0,0,1|2,0,0]=4 4919 B10R1.277 CC1CN(CCCN1C)C 269982a_100011935175_200000210301 [0,1,0,0,0,1|2,0,0]=4 4920 B10R1.277 CC1CN(CCCN1[13CH3])C 269982a_100011935175_200025704644 [0,1,0,0,0,1|2,0,0]=4 4921 B10R1.277 CN1CCCN(C(=O)C1)C 2230a_100000709885_200000210301 [0,1,0,0,0,1|1,0,0]=3 4922 B10R1.277 CN1CCCN(C(=O)C1)C 269982a_100000709885_200000210301 [0,1,0,0,0,1|1,0,0]=3 4923 B10R1.277 CN1CCCN(C(=O)C1)C 34a_100000709885_200000210301 [0,1,0,0,0,1|1,0,0]=3 4924 B10R1.277 CN1CCCN(CC1=O)[13CH3] 2230a_100000709885_200025704644 [0,1,0,0,0,1|1,0,0]=3 4925 B10R1.277 CN1CCCN(CC1=O)[13CH3] 269982a_100000709885_200025704644 [0,1,0,0,0,1|1,0,0]=3 4926 B10R1.277 CN1CCCN(CC1=O)[13CH3] 34a_100000709885_200025704644 [0,1,0,0,0,1|1,0,0]=3 4927 B10R1.197 CC1CCCN(CC1)CF 269982a_100025706717_100015361967 [0,1,0,0,0,1|2,0,0]=4 4928 B10R1.197 CC1CCCN(CC1)CF 34a_100025706717_100015361967 [0,1,0,0,0,1|2,0,0]=4 4929 B10R1.197 CCC1CCCN(CC1)C 2230a_100000757272_200000210301 [0,1,0,0,0,1|2,0,0]=4 4930 B10R1.197 CCC1CCCN(CC1)C 269982a_100000757272_200000210301 [0,1,0,0,0,1|2,0,0]=4 4931 B10R1.197 CCC1CCCN(CC1)C 34a_100000757272_200000210301 [0,1,0,0,0,1|2,0,0]=4 4932 B10R1.197 CCC1CCCN(CC1)[13CH3] 2230a_100000757272_200025704644 [0,1,0,0,0,1|2,0,0]=4 4933 B10R1.197 CCC1CCCN(CC1)[13CH3] 269982a_100000757272_200025704644 [0,1,0,0,0,1|2,0,0]=4 4934 B10R1.197 CCC1CCCN(CC1)[13CH3] 34a_100000757272_200025704644 [0,1,0,0,0,1|2,0,0]=4 4935 B10R1.197 CCN1CCCC(CC1)C 2230a_100025706717_100000210202 [0,1,0,0,0,1|2,0,0]=4 4936 B10R1.197 CCN1CCCC(CC1)C 269982a_100025706717_100000204670 [0,1,0,0,0,1|2,0,0]=4 4937 B10R1.197 CCN1CCCC(CC1)C 34a_100025706717_100000210202 [0,1,0,0,0,1|2,0,0]=4 4938 B10R1.197 CCN1CCNC(=O)CC1 2230a_100000698595_100000210202 [0,1,0,0,0,1|2,0,0]=4 4939 B10R1.197 CCN1CCNC(=O)CC1 269982a_100000698595_100000204670 [0,1,0,0,0,1|2,0,0]=4 4940 B10R1.197 COC1CCCN(CC1)C 2230a_100016993962_200000210301 [0,1,0,0,0,1|2,0,0]=4 4941 B10R1.197 COC1CCCN(CC1)C 269982a_100016993962_200000210301 [0,1,0,0,0,1|2,0,0]=4 4942 B10R1.197 COC1CCCN(CC1)C 34a_100016993962_200000210301 [0,1,0,0,0,1|2,0,0]=4 4943 B10R1.197 COC1CCCN(CC1)[13CH3] 2230a_100016993962_200025704644 [0,1,0,0,0,1|2,0,0]=4 4944 B10R1.197 COC1CCCN(CC1)[13CH3] 269982a_100016993962_200025704644 [0,1,0,0,0,1|2,0,0]=4 4945 B10R1.197 COC1CCCN(CC1)[13CH3] 34a_100016993962_200025704644 [0,1,0,0,0,1|2,0,0]=4 4946 B10R1.197 O=C1CCN(CCN1)CF 269982a_100000698595_100015361967 [0,1,0,0,0,1|2,0,0]=4 4947 B10R1.302 CC1(CCCN(CC1)[13CH3])O 2230a_100000723723_200025704644 [0,1,0,0,0,1|2,0,0]=4 4948 B10R1.302 CC1(CCCN(CC1)[13CH3])O 269982a_100000723723_200025704644 [0,1,0,0,0,1|2,0,0]=4 4949 B10R1.302 CC1(CCCN(CC1)[13CH3])O 34a_100000723723_200025704644 [0,1,0,0,0,1|2,0,0]=4 4950 B10R1.302 CN1CCCC(CC1)(C)O 2230a_100000723723_200000210301 [0,1,0,0,0,1|2,0,0]=4 4951 B10R1.302 CN1CCCC(CC1)(C)O 269982a_100000723723_200000210301 [0,1,0,0,0,1|2,0,0]=4 4952 B10R1.302 CN1CCCC(CC1)(C)O 34a_100000723723_200000210301 [0,1,0,0,0,1|2,0,0]=4 4953 B10R1.332 CN1CCC(=O)N(CC1)C 2230a_100020591582_200000210301 [0,1,0,0,0,1|2,0,0]=4 4954 B10R1.332 CN1CCC(=O)N(CC1)C 269982a_100020591582_200000210301 [0,1,0,0,0,1|2,0,0]=4 4955 B10R1.332 CN1CCC(=O)N(CC1)C 34a_100020591582_200000210301 [0,1,0,0,0,1|2,0,0]=4 4956 B10R1.332 CN1CCN(CCC1=O)[13CH3] 2230a_100020591582_200025704644 [0,1,0,0,0,1|2,0,0]=4 4957 B10R1.332 CN1CCN(CCC1=O)[13CH3] 269982a_100020591582_200025704644 [0,1,0,0,0,1|2,0,0]=4 4958 B10R1.332 CN1CCN(CCC1=O)[13CH3] 34a_100020591582_200025704644 [0,1,0,0,0,1|2,0,0]=4 4959 B10R1.332 C[C@H]1CNC(=O)CCN1C 2230a_102125656889_200000210301 [0,1,0,0,0,1|1,0,0]=3 4960 B10R1.332 C[C@H]1CNC(=O)CCN1C 269982a_102125656889_200000210301 [0,1,0,0,0,1|1,0,0]=3 4961 B10R1.332 C[C@H]1CNC(=O)CCN1C 34a_102125656889_200000210301 [0,1,0,0,0,1|1,0,0]=3 4962 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 2230a_102125656889_200025704644 [0,1,0,0,0,1|1,0,0]=3 4963 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 269982a_102125656889_200025704644 [0,1,0,0,0,1|1,0,0]=3 4964 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 34a_102125656889_200025704644 [0,1,0,0,0,1|1,0,0]=3 4965 B10R1.2 CC1C(=O)NCCN1CF 269982a_100000750721_100015361967 [0,2,0,0,0,0|2,0,0]=4 4966 B10R1.2 CC1C(=O)NCCN1CF 34a_100000750721_100015361967 [0,2,0,0,0,0|2,0,0]=4 4967 B10R1.2 CC1CCCC(C1C)N[13CH3] 2230a_100000211273_200025704644 [0,2,0,0,0,0|1,0,1]=4 4968 B10R1.2 CC1CCCC(C1C)N[13CH3] 34a_100000211273_200025704644 [0,2,0,0,0,0|1,0,1]=4 4969 B10R1.2 CC1CCCC(C1C)O[13CH3] 34a_100011217532_200025704644 [0,2,0,0,0,0|0,0,2]=4 4970 B10R1.2 CC1CCCC(C1C)O[13CH3] 7a_100011217532_200025704644 [0,2,0,0,0,0|0,0,2]=4 4971 B10R1.2 CCN1CCNC(=O)C1C 2230a_100000750721_100000210202 [0,2,0,0,0,0|2,0,0]=4 4972 B10R1.2 CCN1CCNC(=O)C1C 269982a_100000750721_100000204670 [0,2,0,0,0,0|2,0,0]=4 4973 B10R1.2 CCN1CCNC(=O)C1C 34a_100000750721_100000210202 [0,2,0,0,0,0|2,0,0]=4 4974 B10R1.2 CNC1CCCC(C1C)C 2230a_100000211273_200000210301 [0,2,0,0,0,0|1,0,1]=4 4975 B10R1.2 CNC1CCCC(C1C)C 34a_100000211273_200000210301 [0,2,0,0,0,0|1,0,1]=4 4976 B10R1.2 COC1CCCC(C1C)C 34a_100011217532_200000210301 [0,2,0,0,0,0|0,0,2]=4 4977 B10R1.2 COC1CCCC(C1C)C 7a_100011217532_200000210301 [0,2,0,0,0,0|0,0,2]=4 4978 B10R1.8 CC1CC(CN(C1)C)CO 2230a_200012821172_200000210301 [0,2,0,0,0,0|2,0,0]=4 4979 B10R1.8 CC1CC(CN(C1)C)CO 269982a_200012821172_200000210301 [0,2,0,0,0,0|2,0,0]=4 4980 B10R1.8 CC1CC(CN(C1)C)CO 34a_200012821172_200000210301 [0,2,0,0,0,0|2,0,0]=4 4981 B10R1.8 CC1CC(CN(C1)CF)C 269982a_100000210448_100015361967 [0,2,0,0,0,0|2,0,0]=4 4982 B10R1.8 CC1CC(CN(C1)CF)C 34a_100000210448_100015361967 [0,2,0,0,0,0|2,0,0]=4 4983 B10R1.8 CC1CC(CN(C1)[13CH3])CO 2230a_200012821172_200025704644 [0,2,0,0,0,0|2,0,0]=4 4984 B10R1.8 CC1CC(CN(C1)[13CH3])CO 269982a_200012821172_200025704644 [0,2,0,0,0,0|2,0,0]=4 4985 B10R1.8 CC1CC(CN(C1)[13CH3])CO 34a_200012821172_200025704644 [0,2,0,0,0,0|2,0,0]=4 4986 B10R1.8 CCN1CC(CC(C1)C)C 2230a_100000210448_100000210202 [0,2,0,0,0,0|2,0,0]=4 4987 B10R1.8 CCN1CC(CC(C1)C)C 269982a_100000210448_100000204670 [0,2,0,0,0,0|2,0,0]=4 4988 B10R1.8 CCN1CC(CC(C1)C)C 34a_100000210448_100000210202 [0,2,0,0,0,0|2,0,0]=4 4989 B10R1.8 CNC1CC(CC(C1)C)C 270004a_106832991635_100000753413 [0,2,0,0,0,0|1,0,1]=4 4990 B10R1.10 C#CCN1CCC[C@@H](C1)C 2230a_100000717927_100000038162 [0,2,0,0,0,0|2,0,0]=4 4991 B10R1.10 C#CCN1CCC[C@@H](C1)C 34a_100000717927_100000184674 [0,2,0,0,0,0|2,0,0]=4 4992 B10R1.10 C#CCN1CCNC(=O)C1 2230a_100000184651_100000038162 [0,2,0,0,0,0|2,0,0]=4 4993 B10R1.10 C#CCN1CCOC(=O)C1 2230a_100000131268_100000038162 [0,2,0,0,0,0|2,0,0]=4 4994 B10R1.10 C=CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210623 [0,2,0,0,0,0|2,0,0]=4 4995 B10R1.10 C=CCN1CCC[C@@H](C1)C 269982a_100000717927_100000210623 [0,2,0,0,0,0|2,0,0]=4 4996 B10R1.10 C=CCN1CCC[C@@H](C1)C 34a_100000717927_100015514636 [0,2,0,0,0,0|2,0,0]=4 4997 B10R1.10 C=CCN1CCNC(=O)C1 2230a_100000184651_100000210623 [0,2,0,0,0,0|2,0,0]=4 4998 B10R1.10 C=CCN1CCOC(=O)C1 2230a_100000131268_100000210623 [0,2,0,0,0,0|2,0,0]=4 4999 B10R1.10 CC1=CC(CCC1)OCF 34a_100011218613_100015361967 [0,2,0,0,0,0|1,0,1]=4 5000 B10R1.10 CC1CCCC(C1)NCF 34a_100011194320_100015361967 [0,2,0,0,0,0|1,0,1]=4 5001 B10R1.10 CC1CCCC(C1)OCF 34a_100000211399_100015361967 [0,2,0,0,0,0|0,0,2]=4 5002 B10R1.10 CC1CN(CCO1)CC=O 2230a_100000729577_200015260668 [0,2,0,0,0,0|2,0,0]=4 5003 B10R1.10 CC1CN(CCO1)CC=O 269982a_100000729577_200015260668 [0,2,0,0,0,0|2,0,0]=4 5004 B10R1.10 CC1CN(CCO1)CC=O 34a_100000729577_200009817547 [0,2,0,0,0,0|2,0,0]=4 5005 B10R1.10 CCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210303 [0,2,0,0,0,0|2,0,0]=4 5006 B10R1.10 CCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210303 [0,2,0,0,0,0|2,0,0]=4 5007 B10R1.10 CCCN1CCC[C@@H](C1)C 34a_100000717927_100000210303 [0,2,0,0,0,0|2,0,0]=4 5008 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [0,2,0,0,0,0|2,0,0]=4 5009 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,2,0,0,0,0|2,0,0]=4 5010 B10R1.10 CCNC1CCCC(C1)C 2230a_100011194320_100000210202 [0,2,0,0,0,0|1,0,1]=4 5011 B10R1.10 CCNC1CCCC(C1)C 270004a_100015525214_100000183594 [0,2,0,0,0,0|1,0,1]=4 5012 B10R1.10 CCNC1CCCC(C1)C 34a_100011194320_100000210202 [0,2,0,0,0,0|1,0,1]=4 5013 B10R1.10 CCNC1CCCC(C1)O 2230a_100015190357_100000210202 [0,2,0,0,0,0|0,0,2]=4 5014 B10R1.10 CCNC1CCCC(C1)O 270004a_100015525214_100012613340 [0,2,0,0,0,0|0,0,2]=4 5015 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [0,2,0,0,0,0|1,0,0]=3 5016 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [0,2,0,0,0,0|1,0,0]=3 5017 B10R1.10 CCOC1C=C(CCC1)C 34a_100011218613_100000210202 [0,2,0,0,0,0|1,0,1]=4 5018 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,2,0,0,0,0|0,0,0]=2 5019 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [0,2,0,0,0,0|0,0,2]=4 5020 B10R1.10 CCOC1CCCN(C1)C 2230a_100000745229_200000210301 [0,2,0,0,0,0|2,0,0]=4 5021 B10R1.10 CCOC1CCCN(C1)C 269982a_100000745229_200000210301 [0,2,0,0,0,0|2,0,0]=4 5022 B10R1.10 CCOC1CCCN(C1)C 34a_100000745229_200000210301 [0,2,0,0,0,0|2,0,0]=4 5023 B10R1.10 CCOC1CCCN(C1)[13CH3] 2230a_100000745229_200025704644 [0,2,0,0,0,0|2,0,0]=4 5024 B10R1.10 CCOC1CCCN(C1)[13CH3] 269982a_100000745229_200025704644 [0,2,0,0,0,0|2,0,0]=4 5025 B10R1.10 CCOC1CCCN(C1)[13CH3] 34a_100000745229_200025704644 [0,2,0,0,0,0|2,0,0]=4 5026 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [0,2,0,0,0,0|1,0,0]=3 5027 B10R1.10 CN1CCCC(C1)CC#N 2230a_100015183952_200000210301 [0,2,0,0,0,0|2,0,0]=4 5028 B10R1.10 CN1CCCC(C1)CC#N 34a_100015183952_200000210301 [0,2,0,0,0,0|2,0,0]=4 5029 B10R1.10 CN1CCCC(C1)CCO 2230a_100000752241_200000210301 [0,2,0,0,0,0|2,0,0]=4 5030 B10R1.10 CN1CCCC(C1)CCO 269982a_100000752241_200000210301 [0,2,0,0,0,0|2,0,0]=4 5031 B10R1.10 CN1CCCC(C1)CCO 34a_100000752241_200000210301 [0,2,0,0,0,0|2,0,0]=4 5032 B10R1.10 CN1CCCC(C1)CS[13CH3] 62a_100000752043_200025704644 [0,2,0,0,0,0|2,0,0]=4 5033 B10R1.10 CN1CCCC(C1)CS[13CH3] 62a_200025704644_100000752043 [0,2,0,0,0,0|2,0,0]=4 5034 B10R1.10 CNCC1CCCC(C1)O 2230a_100011254705_200000210301 [0,2,0,0,0,0|0,0,2]=4 5035 B10R1.10 CNCC1CCCN(C1)C 34a_100102657272_100015183302 [0,2,0,0,0,0|2,0,0]=4 5036 B10R1.10 CNCC1CCCN(C1)C 7a_106832991635_100000752043 [0,2,0,0,0,0|2,0,0]=4 5037 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [0,2,0,0,0,0|1,0,0]=3 5038 B10R1.10 COCC1CCCN(C1)C 2230a_100000755410_200000210301 [0,2,0,0,0,0|2,0,0]=4 5039 B10R1.10 COCC1CCCN(C1)C 269982a_100000755410_200000210301 [0,2,0,0,0,0|2,0,0]=4 5040 B10R1.10 COCC1CCCN(C1)C 34a_100000755410_200000210301 [0,2,0,0,0,0|2,0,0]=4 5041 B10R1.10 COCC1CCCN(C1)C 34a_100138415774_100015183302 [0,2,0,0,0,0|2,0,0]=4 5042 B10R1.10 COCC1CCCN(C1)[13CH3] 2230a_100000755410_200025704644 [0,2,0,0,0,0|2,0,0]=4 5043 B10R1.10 COCC1CCCN(C1)[13CH3] 269982a_100000755410_200025704644 [0,2,0,0,0,0|2,0,0]=4 5044 B10R1.10 COCC1CCCN(C1)[13CH3] 34a_100000755410_200025704644 [0,2,0,0,0,0|2,0,0]=4 5045 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [0,2,0,0,0,0|1,0,0]=3 5046 B10R1.10 COCC1COCC(=O)N1 34a_200000101122_200000210301 [0,2,0,0,0,0|2,0,0]=4 5047 B10R1.10 COCN1CCC[C@@H](C1)C 2230a_100000717927_100000766300 [0,2,0,0,0,0|1,0,1]=4 5048 B10R1.10 COCN1CCC[C@@H](C1)C 269982a_100000717927_100000766300 [0,2,0,0,0,0|1,0,1]=4 5049 B10R1.10 COCN1CCNC(=O)C1 2230a_100000184651_100000766300 [0,2,0,0,0,0|2,0,0]=4 5050 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [0,2,0,0,0,0|2,0,0]=4 5051 B10R1.10 CSCC1CCCN(C1)C 62a_100000752043_200000210301 [0,2,0,0,0,0|2,0,0]=4 5052 B10R1.10 CSCC1CCCN(C1)C 62a_200000210301_100000752043 [0,2,0,0,0,0|2,0,0]=4 5053 B10R1.10 CSCN1CCC[C@@H](C1)C 2230a_100000717927_100011218213 [0,2,0,0,0,0|1,1,0]=4 5054 B10R1.10 CSCN1CCC[C@@H](C1)C 269982a_100000717927_100011218213 [0,2,0,0,0,0|1,1,0]=4 5055 B10R1.10 CSCN1CCC[C@@H](C1)C 34a_100000717927_100011218213 [0,2,0,0,0,0|1,1,0]=4 5056 B10R1.10 CSCN1CCNC(=O)C1 2230a_100000184651_100011218213 [0,2,0,0,0,0|2,0,0]=4 5057 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [0,2,0,0,0,0|2,0,0]=4 5058 B10R1.10 C[C@H]1CCCN(C1)CC#N 2230a_100000717927_100011215382 [0,2,0,0,0,0|2,0,0]=4 5059 B10R1.10 C[C@H]1CCCN(C1)CC#N 269982a_100000717927_100011214920 [0,2,0,0,0,0|2,0,0]=4 5060 B10R1.10 C[C@H]1CCCN(C1)CC=O 2230a_100000717927_200015260668 [0,2,0,0,0,0|1,0,0]=3 5061 B10R1.10 C[C@H]1CCCN(C1)CC=O 269982a_100000717927_200015260668 [0,2,0,0,0,0|1,0,0]=3 5062 B10R1.10 C[C@H]1CCCN(C1)CC=O 34a_100000717927_200009817547 [0,2,0,0,0,0|1,0,0]=3 5063 B10R1.10 C[C@H]1CCCN(C1)CCF 2230a_100000717927_100011217306 [0,2,0,0,0,0|2,0,0]=4 5064 B10R1.10 C[C@H]1CCCN(C1)CCF 269982a_100000717927_100011217306 [0,2,0,0,0,0|2,0,0]=4 5065 B10R1.10 C[C@H]1CCCN(C1)CCF 34a_100000717927_100011217306 [0,2,0,0,0,0|2,0,0]=4 5066 B10R1.10 C[C@H]1CCCN(C1)CCO 2230a_100000717927_100000211926 [0,2,0,0,0,0|1,0,1]=4 5067 B10R1.10 C[C@H]1CCCN(C1)CCO 269982a_100000717927_100000211926 [0,2,0,0,0,0|1,0,1]=4 5068 B10R1.10 C[C@H]1CCCN(C1)CCO 34a_100000717927_100000211926 [0,2,0,0,0,0|1,0,1]=4 5069 B10R1.10 N#CCN1CCNC(=O)C1 2230a_100000184651_100011215382 [0,2,0,0,0,0|2,0,0]=4 5070 B10R1.10 N#CCN1CCOC(=O)C1 2230a_100000131268_100011215382 [0,2,0,0,0,0|2,0,0]=4 5071 B10R1.10 O=C1CC(CCN1)NCF 34a_100016994916_100015361967 [0,2,0,0,0,0|1,0,0]=3 5072 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [0,2,0,0,0,0|0,0,0]=2 5073 B10R1.10 O=C1CN(CCN1)CCF 2230a_100000184651_100011217306 [0,2,0,0,0,0|2,0,0]=4 5074 B10R1.10 O=C1CN(CCN1)CCO 2230a_100000184651_100000211926 [0,2,0,0,0,0|2,0,0]=4 5075 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [0,2,0,0,0,0|2,0,0]=4 5076 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [0,2,0,0,0,0|2,0,0]=4 5077 B10R1.10 O=C1C[C@@H](CCN1)OCF 34a_100015189427_100015361967 [0,2,0,0,0,0|1,0,0]=3 5078 B10R1.10 O=CCN1CCCC(C1)F 2230a_100000697950_200015260668 [0,2,0,0,0,0|2,0,0]=4 5079 B10R1.10 O=CCN1CCCC(C1)F 269982a_100000697950_200015260668 [0,2,0,0,0,0|2,0,0]=4 5080 B10R1.10 O=CCN1CCCC(C1)F 34a_100000697950_200009817547 [0,2,0,0,0,0|2,0,0]=4 5081 B10R1.10 O=CCN1CCCC(C1)O 2230a_100000211013_200015260668 [0,2,0,0,0,0|2,0,0]=4 5082 B10R1.10 O=CCN1CCCC(C1)O 269982a_100000211013_200015260668 [0,2,0,0,0,0|2,0,0]=4 5083 B10R1.10 O=CCN1CCNC(=O)C1 2230a_100000184651_200015260668 [0,2,0,0,0,0|2,0,0]=4 5084 B10R1.10 O=CCN1CCOC(=O)C1 2230a_100000131268_200015260668 [0,2,0,0,0,0|2,0,0]=4 5085 B10R1.10 [13CH3]N1CCCC(C1)CC#N 2230a_100015183952_200025704644 [0,2,0,0,0,0|2,0,0]=4 5086 B10R1.10 [13CH3]N1CCCC(C1)CC#N 34a_100015183952_200025704644 [0,2,0,0,0,0|2,0,0]=4 5087 B10R1.10 [13CH3]N1CCCC(C1)CCO 2230a_100000752241_200025704644 [0,2,0,0,0,0|2,0,0]=4 5088 B10R1.10 [13CH3]N1CCCC(C1)CCO 269982a_100000752241_200025704644 [0,2,0,0,0,0|2,0,0]=4 5089 B10R1.10 [13CH3]N1CCCC(C1)CCO 34a_100000752241_200025704644 [0,2,0,0,0,0|2,0,0]=4 5090 B10R1.10 [13CH3]NCC1CCCC(C1)O 2230a_100011254705_200025704644 [0,2,0,0,0,0|0,0,2]=4 5091 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [0,2,0,0,0,0|1,0,0]=3 5092 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [0,2,0,0,0,0|1,0,0]=3 5093 B10R1.10 [13CH3]OCC1COCC(=O)N1 34a_200000101122_200025704644 [0,2,0,0,0,0|2,0,0]=4 5094 B10R1.30 CC1CCC(C(C1)O[13CH3])C 34a_100011217446_200025704644 [0,2,0,0,0,0|0,0,2]=4 5095 B10R1.30 CC1CCC(C(C1)O[13CH3])C 7a_100011217446_200025704644 [0,2,0,0,0,0|0,0,2]=4 5096 B10R1.30 CNC1CC(CCC1C)C 269862a_106832991636_100000034887 [0,2,0,0,0,0|1,0,1]=4 5097 B10R1.30 CNC1CC(CCC1C)C 270004a_106832991635_100000034887 [0,2,0,0,0,0|1,0,1]=4 5098 B10R1.30 COC1CC(CCC1C)C 34a_100011217446_200000210301 [0,2,0,0,0,0|0,0,2]=4 5099 B10R1.30 COC1CC(CCC1C)C 7a_100011217446_200000210301 [0,2,0,0,0,0|0,0,2]=4 5100 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,2,0,0,0,0|0,0,1]=3 5101 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,2,0,0,0,0|0,0,2]=4 5102 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,2,0,0,0,0|1,0,1]=4 5103 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,2,0,0,0,0|1,0,0]=3 5104 B10R1.113 CC(=O)C1CSCC(=O)N1 1458a_100000045068_200000210301 [0,2,0,0,0,0|2,0,0]=4 5105 B10R1.113 CC(=O)N1CCCC(C1)F 11a_100000697950_100015343762 [0,2,0,0,0,0|2,0,0]=4 5106 B10R1.113 CC(=O)N1CCCC(C1)F 1626a_100000697950_100015343762 [0,2,0,0,0,0|2,0,0]=4 5107 B10R1.113 CC(=O)N1CCCC(C1)F 240690a_100000697950_100015343762 [0,2,0,0,0,0|2,0,0]=4 5108 B10R1.113 CC(=O)N1CCCC(C1)F 527a_100000697950_100103153847 [0,2,0,0,0,0|2,0,0]=4 5109 B10R1.113 CC(=O)N1CCCC(C1)O 240690a_100000211013_100015343762 [0,2,0,0,0,0|2,0,0]=4 5110 B10R1.113 CC(=O)N1CCCC(C1)O 527a_100000211013_100103153847 [0,2,0,0,0,0|2,0,0]=4 5111 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100015343762 [0,2,0,0,0,0|1,0,0]=3 5112 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100015343762 [0,2,0,0,0,0|1,0,0]=3 5113 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100103153847 [0,2,0,0,0,0|1,0,0]=3 5114 B10R1.113 CC(=O)N1CCNC(=O)C1 11a_100000184651_100015343762 [0,2,0,0,0,0|2,0,0]=4 5115 B10R1.113 CC(=O)N1CCNC(=O)C1 1626a_100000184651_100015343762 [0,2,0,0,0,0|2,0,0]=4 5116 B10R1.113 CC(=O)N1CCNC(=O)C1 240690a_100000184651_100015343762 [0,2,0,0,0,0|2,0,0]=4 5117 B10R1.113 CC(=O)N1CCNC(=O)C1 527a_100000184651_100103153847 [0,2,0,0,0,0|2,0,0]=4 5118 B10R1.113 CC(=O)N1CCOC(=O)C1 11a_100000131268_100015343762 [0,2,0,0,0,0|2,0,0]=4 5119 B10R1.113 CC(=O)N1CCOC(=O)C1 240690a_100000131268_100015343762 [0,2,0,0,0,0|2,0,0]=4 5120 B10R1.113 CC(=O)N1CCOC(=O)C1 527a_100000131268_100103153847 [0,2,0,0,0,0|2,0,0]=4 5121 B10R1.113 CC(=O)N1CCOC(C1)C 11a_100000729577_100015343762 [0,2,0,0,0,0|2,0,0]=4 5122 B10R1.113 CC(=O)N1CCOC(C1)C 1626a_100000729577_100015343762 [0,2,0,0,0,0|2,0,0]=4 5123 B10R1.113 CC(=O)N1CCOC(C1)C 240690a_100000729577_100015343762 [0,2,0,0,0,0|2,0,0]=4 5124 B10R1.113 CC(=O)N1CCOC(C1)C 527a_100000729577_100103153847 [0,2,0,0,0,0|2,0,0]=4 5125 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,2,0,0,0,0|1,0,0]=3 5126 B10R1.113 CC(C)N1CCC[C@@H](C1)C 2230a_100000717927_100000210206 [0,2,0,0,0,0|2,0,0]=4 5127 B10R1.113 CC(C)N1CCC[C@@H](C1)C 269982a_100000717927_100000210206 [0,2,0,0,0,0|2,0,0]=4 5128 B10R1.113 CC(C)N1CCC[C@@H](C1)C 34a_100000717927_100000210206 [0,2,0,0,0,0|2,0,0]=4 5129 B10R1.113 CC(C)N1CCNC(=O)C1 2230a_100000184651_100000210206 [0,2,0,0,0,0|2,0,0]=4 5130 B10R1.113 CC(C)N1CCOC(=O)C1 2230a_100000131268_100000210206 [0,2,0,0,0,0|2,0,0]=4 5131 B10R1.113 CC(O)C1CCCN(C1)C 2230a_100000740858_200000210301 [0,2,0,0,0,0|2,0,0]=4 5132 B10R1.113 CC(O)C1CCCN(C1)C 269982a_100000740858_200000210301 [0,2,0,0,0,0|2,0,0]=4 5133 B10R1.113 CC(O)C1CCCN(C1)C 34a_100000740858_200000210301 [0,2,0,0,0,0|2,0,0]=4 5134 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 2230a_100000740858_200025704644 [0,2,0,0,0,0|2,0,0]=4 5135 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 269982a_100000740858_200025704644 [0,2,0,0,0,0|2,0,0]=4 5136 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 34a_100000740858_200025704644 [0,2,0,0,0,0|2,0,0]=4 5137 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,2,0,0,0,0|0,0,1]=3 5138 B10R1.113 CC1CCCC(C1)N(C)C 270004a_100102631434_100000183594 [0,2,0,0,0,0|1,0,1]=4 5139 B10R1.113 CN(C)C1CCCC(C1)O 270004a_100102631434_100012613340 [0,2,0,0,0,0|0,0,2]=4 5140 B10R1.113 CN(C)C1CCCN(C1)[13CH3] 2230a_100011292519_200025704644 [0,2,0,0,0,0|2,0,0]=4 5141 B10R1.113 CN(C)C1CCCN(C1)[13CH3] 269982a_100011292519_200025704644 [0,2,0,0,0,0|2,0,0]=4 5142 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [0,2,0,0,0,0|1,0,1]=4 5143 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [0,2,0,0,0,0|1,0,1]=4 5144 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [0,2,0,0,0,0|1,0,1]=4 5145 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,2,0,0,0,0|1,0,1]=4 5146 B10R1.113 CN1CCCC(C1)N(C)C 2230a_100011292519_200000210301 [0,2,0,0,0,0|2,0,0]=4 5147 B10R1.113 CN1CCCC(C1)N(C)C 269982a_100011292519_200000210301 [0,2,0,0,0,0|2,0,0]=4 5148 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,2,0,0,0,0|0,0,2]=4 5149 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,2,0,0,0,0|1,0,0]=3 5150 B10R1.113 [13CH3]C(=O)C1CSCC(=O)N1 1458a_100000045068_200025704644 [0,2,0,0,0,0|2,0,0]=4 5151 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,2,0,0,0,0|1,0,0]=3 5152 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [0,2,0,0,0,0|1,0,1]=4 5153 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [0,2,0,0,0,0|1,0,1]=4 5154 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [0,2,0,0,0,0|1,0,1]=4 5155 B10R1.171 CC1(CCCC(C1)O[13CH3])C 7a_100011995757_200025704644 [0,2,0,0,0,0|0,0,2]=4 5156 B10R1.171 CC1(CCCN(C1)CF)C 269982a_100000716857_100015361967 [0,2,0,0,0,0|2,0,0]=4 5157 B10R1.171 CC1(CCCN(C1)CF)C 34a_100000716857_100015361967 [0,2,0,0,0,0|2,0,0]=4 5158 B10R1.171 CC1(CCCN(C1)CF)O 269982a_100000695535_100015361967 [0,2,0,0,0,0|2,0,0]=4 5159 B10R1.171 CCN1CCCC(C1)(C)C 2230a_100000716857_100000210202 [0,2,0,0,0,0|2,0,0]=4 5160 B10R1.171 CCN1CCCC(C1)(C)C 269982a_100000716857_100000204670 [0,2,0,0,0,0|2,0,0]=4 5161 B10R1.171 CCN1CCCC(C1)(C)C 34a_100000716857_100000210202 [0,2,0,0,0,0|2,0,0]=4 5162 B10R1.171 CCN1CCCC(C1)(C)O 2230a_100000695535_100000210202 [0,2,0,0,0,0|2,0,0]=4 5163 B10R1.171 CCN1CCCC(C1)(C)O 269982a_100000695535_100000204670 [0,2,0,0,0,0|2,0,0]=4 5164 B10R1.171 CNC1CCCC(C1)(C)C 270004a_106832991635_100000031663 [0,2,0,0,0,0|1,0,1]=4 5165 B10R1.171 COC1CCCC(C1)(C)C 7a_100011995757_200000210301 [0,2,0,0,0,0|0,0,2]=4 5166 B10R1.172 CCC1CCCC(C1)NC 270004a_106832991635_100000756783 [0,2,0,0,0,0|1,0,1]=4 5167 B10R1.172 CCC1CCCC(C1)OC 7a_100011985506_200000210301 [0,2,0,0,0,0|0,0,2]=4 5168 B10R1.172 CCC1CCCC(C1)O[13CH3] 7a_100011985506_200025704644 [0,2,0,0,0,0|0,0,2]=4 5169 B10R1.172 CCN1CCCC(C1)CF 2230a_100016992999_100000210202 [0,2,0,0,0,0|2,0,0]=4 5170 B10R1.172 CCN1CCCC(C1)CF 269982a_100016992999_100000204670 [0,2,0,0,0,0|2,0,0]=4 5171 B10R1.172 CCN1CCCC(C1)CF 34a_100016992999_100000210202 [0,2,0,0,0,0|2,0,0]=4 5172 B10R1.172 CCN1CCCC(C1)CO 2230a_100000211344_100000210202 [0,2,0,0,0,0|2,0,0]=4 5173 B10R1.172 CCN1CCCC(C1)CO 269982a_100000211344_100000204670 [0,2,0,0,0,0|2,0,0]=4 5174 B10R1.172 CCN1CCCC(C1)CO 34a_100000211344_100000210202 [0,2,0,0,0,0|2,0,0]=4 5175 B10R1.172 CCN1CCCC(C1)OC 2230a_100000695604_100000210202 [0,2,0,0,0,0|2,0,0]=4 5176 B10R1.172 CCN1CCCC(C1)OC 269982a_100000695604_100000204670 [0,2,0,0,0,0|2,0,0]=4 5177 B10R1.172 CCN1CCCC(C1)OC 34a_100000695604_100000210202 [0,2,0,0,0,0|2,0,0]=4 5178 B10R1.172 CCN1CCC[C@H](C1)NC 2230a_100025775482_200000210301 [0,2,0,0,0,0|2,0,0]=4 5179 B10R1.172 CCN1CCC[C@H](C1)N[13CH3] 2230a_100025775482_200025704644 [0,2,0,0,0,0|2,0,0]=4 5180 B10R1.172 CNC1CCCC(C1)C#N 270004a_106832991635_100000747296 [0,2,0,0,0,0|1,0,1]=4 5181 B10R1.172 CNC1CCCC(C1)SC 270004a_106832991635_100012138059 [0,2,0,0,0,0|0,1,1]=4 5182 B10R1.172 COC1CCCC(C1)CN 34a_100011254705_200000210301 [0,2,0,0,0,0|0,0,2]=4 5183 B10R1.172 COC1CCCN(C1)CF 269982a_100000695604_100015361967 [0,2,0,0,0,0|2,0,0]=4 5184 B10R1.172 COC1CCCN(C1)CF 34a_100000695604_100015361967 [0,2,0,0,0,0|2,0,0]=4 5185 B10R1.172 FCC1CCCN(C1)CF 269982a_100016992999_100015361967 [0,2,0,0,0,0|2,0,0]=4 5186 B10R1.172 FCC1CCCN(C1)CF 34a_100016992999_100015361967 [0,2,0,0,0,0|2,0,0]=4 5187 B10R1.172 OCC1CCCN(C1)CF 269982a_100000211344_100015361967 [0,2,0,0,0,0|2,0,0]=4 5188 B10R1.172 OCC1CCCN(C1)CF 34a_100000211344_100015361967 [0,2,0,0,0,0|2,0,0]=4 5189 B10R1.172 [13CH3]OC1CCCC(C1)CN 34a_100011254705_200025704644 [0,2,0,0,0,0|0,0,2]=4 5190 B10R1.176 CC1CCC(CC1C)O[13CH3] 34a_100011215933_200025704644 [0,2,0,0,0,0|0,0,2]=4 5191 B10R1.176 CC1CCC(CC1C)O[13CH3] 7a_100011215933_200025704644 [0,2,0,0,0,0|0,0,2]=4 5192 B10R1.176 CC1CN(CCC1O)CF 269982a_100011998114_100015361967 [0,2,0,0,0,0|2,0,0]=4 5193 B10R1.176 CCC1CCC(N(C1)C)C 2230a_100011219223_200000210301 [0,2,0,0,0,0|2,0,0]=4 5194 B10R1.176 CCC1CCC(N(C1)C)C 269982a_100011219223_200000210301 [0,2,0,0,0,0|2,0,0]=4 5195 B10R1.176 CCC1CCC(N(C1)C)C 34a_100011219223_200000210301 [0,2,0,0,0,0|2,0,0]=4 5196 B10R1.176 CCC1CCC(N(C1)[13CH3])C 2230a_100011219223_200025704644 [0,2,0,0,0,0|2,0,0]=4 5197 B10R1.176 CCC1CCC(N(C1)[13CH3])C 269982a_100011219223_200025704644 [0,2,0,0,0,0|2,0,0]=4 5198 B10R1.176 CCC1CCC(N(C1)[13CH3])C 34a_100011219223_200025704644 [0,2,0,0,0,0|2,0,0]=4 5199 B10R1.176 CCN1CCC(C(C1)C)O 2230a_100011998114_100000210202 [0,2,0,0,0,0|2,0,0]=4 5200 B10R1.176 CCN1CCC(C(C1)C)O 269982a_100011998114_100000204670 [0,2,0,0,0,0|2,0,0]=4 5201 B10R1.176 CCN1CCN(C(=O)C1)C 2230a_100000187256_100000210202 [0,2,0,0,0,0|2,0,0]=4 5202 B10R1.176 CCN1CCN(C(=O)C1)C 269982a_100000187256_100000204670 [0,2,0,0,0,0|2,0,0]=4 5203 B10R1.176 CN1CCC(CC1=O)N[13CH3] 2230a_100000126938_200025704644 [0,2,0,0,0,0|1,0,0]=3 5204 B10R1.176 CN1CCC(CC1=O)N[13CH3] 34a_100000126938_200025704644 [0,2,0,0,0,0|1,0,0]=3 5205 B10R1.176 CN1CCN(CC1=O)CF 269982a_100000187256_100015361967 [0,2,0,0,0,0|2,0,0]=4 5206 B10R1.176 CNC1CCC(C(C1)C)C 270004a_106832991635_100000759390 [0,2,0,0,0,0|1,0,1]=4 5207 B10R1.176 CNC1CCN(C(=O)C1)C 2230a_100000126938_200000210301 [0,2,0,0,0,0|1,0,0]=3 5208 B10R1.176 CNC1CCN(C(=O)C1)C 34a_100000126938_200000210301 [0,2,0,0,0,0|1,0,0]=3 5209 B10R1.176 COC1CCC(C(C1)C)C 34a_100011215933_200000210301 [0,2,0,0,0,0|0,0,2]=4 5210 B10R1.176 COC1CCC(C(C1)C)C 7a_100011215933_200000210301 [0,2,0,0,0,0|0,0,2]=4 5211 B10R1.485 CCC1(CCCN(C1)C)C 2230a_100000756310_200000210301 [0,2,0,0,0,0|2,0,0]=4 5212 B10R1.485 CCC1(CCCN(C1)C)C 269982a_100000756310_200000210301 [0,2,0,0,0,0|2,0,0]=4 5213 B10R1.485 CCC1(CCCN(C1)[13CH3])C 2230a_100000756310_200025704644 [0,2,0,0,0,0|2,0,0]=4 5214 B10R1.485 CCC1(CCCN(C1)[13CH3])C 269982a_100000756310_200025704644 [0,2,0,0,0,0|2,0,0]=4 5215 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 2230a_100000751695_200025704644 [0,2,0,0,0,0|2,0,0]=4 5216 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 269982a_100000751695_200025704644 [0,2,0,0,0,0|2,0,0]=4 5217 B10R1.114 CC1(C(=O)NCCN1[13CH3])C 34a_100000751695_200025704644 [0,2,0,0,0,0|2,0,0]=4 5218 B10R1.114 CN1CCNC(=O)C1(C)C 2230a_100000751695_200000210301 [0,2,0,0,0,0|2,0,0]=4 5219 B10R1.114 CN1CCNC(=O)C1(C)C 269982a_100000751695_200000210301 [0,2,0,0,0,0|2,0,0]=4 5220 B10R1.114 CN1CCNC(=O)C1(C)C 34a_100000751695_200000210301 [0,2,0,0,0,0|2,0,0]=4 5221 B10R1.119 CC1C(=O)N(CCN1C)C 2230a_100000708691_200000210301 [0,2,0,0,0,0|2,0,0]=4 5222 B10R1.119 CC1C(=O)N(CCN1C)C 269982a_100000708691_200000210301 [0,2,0,0,0,0|2,0,0]=4 5223 B10R1.119 CC1C(=O)N(CCN1C)C 34a_100000708691_200000210301 [0,2,0,0,0,0|2,0,0]=4 5224 B10R1.119 CC1C(=O)N(CCN1[13CH3])C 2230a_100000708691_200025704644 [0,2,0,0,0,0|2,0,0]=4 5225 B10R1.119 CC1C(=O)N(CCN1[13CH3])C 269982a_100000708691_200025704644 [0,2,0,0,0,0|2,0,0]=4 5226 B10R1.119 CC1C(=O)N(CCN1[13CH3])C 34a_100000708691_200025704644 [0,2,0,0,0,0|2,0,0]=4 5227 B10R1.245 CC1CCCC(C1O[13CH3])C 34a_100011218088_200025704644 [0,2,0,0,0,0|1,0,1]=4 5228 B10R1.245 CC1CCCC(C1O[13CH3])C 7a_100011218088_200025704644 [0,2,0,0,0,0|1,0,1]=4 5229 B10R1.245 CCC1C(=O)NCCN1C 2230a_100000187962_200000210301 [0,2,0,0,0,0|2,0,0]=4 5230 B10R1.245 CCC1C(=O)NCCN1C 269982a_100000187962_200000210301 [0,2,0,0,0,0|2,0,0]=4 5231 B10R1.245 CCC1C(=O)NCCN1C 34a_100000187962_200000210301 [0,2,0,0,0,0|2,0,0]=4 5232 B10R1.245 CCC1C(=O)NCCN1[13CH3] 2230a_100000187962_200025704644 [0,2,0,0,0,0|2,0,0]=4 5233 B10R1.245 CCC1C(=O)NCCN1[13CH3] 269982a_100000187962_200025704644 [0,2,0,0,0,0|2,0,0]=4 5234 B10R1.245 CCC1C(=O)NCCN1[13CH3] 34a_100000187962_200025704644 [0,2,0,0,0,0|2,0,0]=4 5235 B10R1.245 CNC1C(=O)CCCC1=O 2230a_106832991635_100009814513 [0,2,0,0,0,0|1,0,1]=4 5236 B10R1.245 CNC1C(=O)CCCC1=O 7a_106832991635_100009814513 [0,2,0,0,0,0|1,0,1]=4 5237 B10R1.245 CNC1C(CCCC1C)C 269862a_106832991636_100000211995 [0,2,0,0,0,0|1,0,1]=4 5238 B10R1.245 COC1C(CCCC1C)C 34a_100011218088_200000210301 [0,2,0,0,0,0|1,0,1]=4 5239 B10R1.245 COC1C(CCCC1C)C 7a_100011218088_200000210301 [0,2,0,0,0,0|1,0,1]=4 5240 B10R1.245 CSC1C(=O)CCCC1=O 62a_100009814513_200000210301 [0,2,0,0,0,0|1,0,1]=4 5241 B10R1.245 CSC1C(=O)CCCC1=O 62a_200000210301_100009814513 [0,2,0,0,0,0|1,0,1]=4 5242 B10R1.245 [13CH3]SC1C(=O)CCCC1=O 62a_100009814513_200025704644 [0,2,0,0,0,0|1,0,1]=4 5243 B10R1.245 [13CH3]SC1C(=O)CCCC1=O 62a_200025704644_100009814513 [0,2,0,0,0,0|1,0,1]=4 5244 B10R1.120 CC1(CN(CCC1O)[13CH3])C 2230a_100000709803_200025704644 [0,2,0,0,0,0|2,0,0]=4 5245 B10R1.120 CC1(CN(CCC1O)[13CH3])C 269982a_100000709803_200025704644 [0,2,0,0,0,0|2,0,0]=4 5246 B10R1.120 CC1(CN(CCC1O)[13CH3])C 34a_100000709803_200025704644 [0,2,0,0,0,0|2,0,0]=4 5247 B10R1.120 CN1CCC(C(C1)(C)C)O 2230a_100000709803_200000210301 [0,2,0,0,0,0|2,0,0]=4 5248 B10R1.120 CN1CCC(C(C1)(C)C)O 269982a_100000709803_200000210301 [0,2,0,0,0,0|2,0,0]=4 5249 B10R1.120 CN1CCC(C(C1)(C)C)O 34a_100000709803_200000210301 [0,2,0,0,0,0|2,0,0]=4 5250 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 34a_100011539931_200025704644 [0,2,0,0,0,0|1,0,1]=4 5251 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 7a_100011539931_200025704644 [0,2,0,0,0,0|1,0,1]=4 5252 B10R1.25 CCN1CCN(CC1=O)C 2230a_100000701330_200000210301 [0,2,0,0,0,0|2,0,0]=4 5253 B10R1.25 CCN1CCN(CC1=O)C 269982a_100000701330_200000210301 [0,2,0,0,0,0|2,0,0]=4 5254 B10R1.25 CCN1CCN(CC1=O)[13CH3] 2230a_100000701330_200025704644 [0,2,0,0,0,0|2,0,0]=4 5255 B10R1.25 CCN1CCN(CC1=O)[13CH3] 269982a_100000701330_200025704644 [0,2,0,0,0,0|2,0,0]=4 5256 B10R1.25 COC1CCC(CC1C)C 34a_100011539931_200000210301 [0,2,0,0,0,0|1,0,1]=4 5257 B10R1.25 COC1CCC(CC1C)C 7a_100011539931_200000210301 [0,2,0,0,0,0|1,0,1]=4 5258 B10R1.63 CC1CN(CCC1(F)F)C 2230a_100000732867_200000210301 [0,2,0,0,0,0|2,0,0]=4 5259 B10R1.63 CC1CN(CCC1(F)F)C 269982a_100000732867_200000210301 [0,2,0,0,0,0|2,0,0]=4 5260 B10R1.63 CC1CN(CCC1(F)F)C 34a_100000732867_200000210301 [0,2,0,0,0,0|2,0,0]=4 5261 B10R1.63 CC1CN(CCC1(F)F)[13CH3] 2230a_100000732867_200025704644 [0,2,0,0,0,0|2,0,0]=4 5262 B10R1.63 CC1CN(CCC1(F)F)[13CH3] 269982a_100000732867_200025704644 [0,2,0,0,0,0|2,0,0]=4 5263 B10R1.63 CC1CN(CCC1(F)F)[13CH3] 34a_100000732867_200025704644 [0,2,0,0,0,0|2,0,0]=4 5264 B10R1.118 C[C@H]1CN(C(=O)CN1C)C 2230a_100016994881_200000210301 [0,2,0,0,0,0|2,0,0]=4 5265 B10R1.118 C[C@H]1CN(C(=O)CN1C)C 269982a_100016994881_200000210301 [0,2,0,0,0,0|2,0,0]=4 5266 B10R1.118 C[C@H]1CN(C(=O)CN1C)C 34a_100016994881_200000210301 [0,2,0,0,0,0|2,0,0]=4 5267 B10R1.118 C[C@H]1CN(C(=O)CN1[13CH3])C 2230a_100016994881_200025704644 [0,2,0,0,0,0|2,0,0]=4 5268 B10R1.118 C[C@H]1CN(C(=O)CN1[13CH3])C 269982a_100016994881_200025704644 [0,2,0,0,0,0|2,0,0]=4 5269 B10R1.118 C[C@H]1CN(C(=O)CN1[13CH3])C 34a_100016994881_200025704644 [0,2,0,0,0,0|2,0,0]=4 5270 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [0,0,1,1,0,0|2,0,0]=4 5271 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [0,0,1,1,0,0|2,0,0]=4 5272 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [0,0,1,1,0,0|2,0,0]=4 5273 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [0,0,1,1,0,0|2,0,0]=4 5274 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [0,0,1,1,0,0|2,0,0]=4 5275 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [0,0,1,1,0,0|2,0,0]=4 5276 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,0,1,1,0,0|1,0,1]=4 5277 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,0,1,1,0,0|1,0,0]=3 5278 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,0,1,1,0,0|1,0,0]=3 5279 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,0,1,1,0,0|1,0,0]=3 5280 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [0,0,1,1,0,0|1,0,0]=3 5281 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,0,1,1,0,0|2,0,0]=4 5282 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,0,1,1,0,0|2,0,0]=4 5283 B8R1.34 C=C(C)CN1CCC1 269982a_100000754969_100000748629 [0,0,1,1,0,0|2,0,0]=4 5284 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [0,0,1,1,0,0|0,0,2]=4 5285 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,0,1,1,0,0|0,0,0]=2 5286 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,0,1,1,0,0|0,0,0]=2 5287 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,0,1,1,0,0|1,0,0]=3 5288 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [0,0,1,1,0,0|1,0,0]=3 5289 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [0,0,1,1,0,0|1,0,0]=3 5290 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [0,0,1,1,0,0|1,0,0]=3 5291 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [0,0,1,1,0,0|1,0,0]=3 5292 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [0,0,1,1,0,0|1,0,0]=3 5293 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [0,0,1,1,0,0|1,0,0]=3 5294 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [0,0,1,1,0,0|2,0,0]=4 5295 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [0,0,1,1,0,0|2,0,0]=4 5296 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [0,0,1,1,0,0|2,0,0]=4 5297 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [0,0,1,1,0,0|2,0,0]=4 5298 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [0,0,1,1,0,0|2,0,0]=4 5299 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [0,0,1,1,0,0|2,0,0]=4 5300 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [0,0,1,1,0,0|2,0,0]=4 5301 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [0,0,1,1,0,0|2,0,0]=4 5302 B8R1.34 CC(C)CN1CCC1 269982a_100000754969_100000210624 [0,0,1,1,0,0|2,0,0]=4 5303 B8R1.34 CN(C)CC1CCC1 2230a_100102631434_100000763275 [0,0,1,1,0,0|2,0,0]=4 5304 B8R1.34 CN(C)CC1CCC1 2230a_200000750244_200000210301 [0,0,1,1,0,0|2,0,0]=4 5305 B8R1.34 CN(C)CC1CCC1 269982a_100102631434_100000763275 [0,0,1,1,0,0|2,0,0]=4 5306 B8R1.34 CN(C)CC1CCC1 269982a_200000750244_200000210301 [0,0,1,1,0,0|2,0,0]=4 5307 B8R1.34 CN(C)CC1CCC1 34a_200000750244_200000210301 [0,0,1,1,0,0|2,0,0]=4 5308 B8R1.34 CN([13CH3])CC1CCC1 2230a_200000750244_200025704644 [0,0,1,1,0,0|2,0,0]=4 5309 B8R1.34 CN([13CH3])CC1CCC1 269982a_200000750244_200025704644 [0,0,1,1,0,0|2,0,0]=4 5310 B8R1.34 CN([13CH3])CC1CCC1 34a_200000750244_200025704644 [0,0,1,1,0,0|2,0,0]=4 5311 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [0,0,1,1,0,0|2,0,0]=4 5312 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [0,0,1,1,0,0|2,0,0]=4 5313 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [0,0,1,1,0,0|0,0,2]=4 5314 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,0,1,1,0,0|0,0,0]=2 5315 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [0,0,1,1,0,0|1,0,0]=3 5316 B8R1.40 C#CC(=O)CC1CC1 1458a_100000211873_100000742324 [0,0,1,1,0,0|0,0,2]=4 5317 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [0,0,1,1,0,0|0,0,2]=4 5318 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [0,0,1,1,0,0|0,0,0]=2 5319 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [0,0,1,1,0,0|0,0,0]=2 5320 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [0,0,1,1,0,0|1,0,0]=3 5321 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [0,0,1,1,0,0|1,0,0]=3 5322 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [0,0,1,1,0,0|1,0,0]=3 5323 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [0,0,1,1,0,0|1,0,0]=3 5324 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [0,0,1,1,0,0|1,0,0]=3 5325 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [0,0,1,1,0,0|1,0,0]=3 5326 B8R1.40 CCN(C)CC1CC1 2230a_100000225621_100000742324 [0,0,1,1,0,0|2,0,0]=4 5327 B8R1.40 CCN(C)CC1CC1 2230a_100000741881_100000210202 [0,0,1,1,0,0|2,0,0]=4 5328 B8R1.40 CCN(C)CC1CC1 269982a_100000225621_100000756562 [0,0,1,1,0,0|2,0,0]=4 5329 B8R1.40 CCN(C)CC1CC1 269982a_100000741881_100000204670 [0,0,1,1,0,0|2,0,0]=4 5330 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [0,0,1,1,0,0|1,0,0]=3 5331 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [0,0,1,1,0,0|1,0,0]=3 5332 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [0,0,1,1,0,0|1,0,0]=3 5333 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [0,0,1,1,0,0|1,0,0]=3 5334 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [0,0,1,1,0,0|2,0,0]=4 5335 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [0,0,1,1,0,0|2,0,0]=4 5336 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [0,0,1,1,0,0|2,0,0]=4 5337 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [0,0,1,1,0,0|2,0,0]=4 5338 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [0,0,1,1,0,0|2,0,0]=4 5339 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [0,0,1,1,0,0|1,0,0]=3 5340 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [0,0,1,1,0,0|1,0,0]=3 5341 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [0,0,1,1,0,0|2,0,0]=4 5342 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [0,0,1,1,0,0|2,0,0]=4 5343 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [0,0,1,1,0,0|2,0,0]=4 5344 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [0,0,1,1,0,0|2,0,0]=4 5345 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [0,0,1,1,0,0|2,0,0]=4 5346 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [0,0,1,1,0,0|0,0,0]=2 5347 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [0,0,1,1,0,0|1,0,0]=3 5348 B8R1.42 CC(=O)NC1(CC1)C 11a_100000757604_100015343762 [0,0,1,1,0,0|1,0,0]=3 5349 B8R1.42 CC(=O)NC1(CC1)C 1626a_100000757604_100015343762 [0,0,1,1,0,0|1,0,0]=3 5350 B8R1.42 CC(=O)NC1(CC1)C 240690a_100000757604_100015343762 [0,0,1,1,0,0|1,0,0]=3 5351 B8R1.42 CC(=O)NC1(CC1)C 527a_100000757604_100103153847 [0,0,1,1,0,0|1,0,0]=3 5352 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [0,0,1,1,0,0|0,0,0]=2 5353 B8R1.43 CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200000210301 [0,0,1,1,0,0|1,0,1]=4 5354 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,0,1,1,0,0|0,0,0]=2 5355 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,0,1,1,0,0|0,0,0]=2 5356 B8R1.43 [13CH3]C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200025704644 [0,0,1,1,0,0|1,0,1]=4 5357 B8R1.53 CCN1CC(C1)(C)C 2230a_100000753659_100000210202 [0,0,1,1,0,0|2,0,0]=4 5358 B8R1.53 CCN1CC(C1)(C)C 269982a_100000753659_100000204670 [0,0,1,1,0,0|2,0,0]=4 5359 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [0,0,1,1,0,0|1,0,0]=3 5360 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [0,0,1,1,0,0|0,0,0]=2 5361 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [0,0,1,1,0,0|1,0,0]=3 5362 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [0,0,1,1,0,0|1,0,0]=3 5363 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [0,0,1,1,0,0|1,0,0]=3 5364 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [0,0,1,1,0,0|1,0,0]=3 5365 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 11a_106832991635_100015396687 [0,0,1,1,0,0|2,0,0]=4 5366 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 240690a_100102657272_100015396687 [0,0,1,1,0,0|2,0,0]=4 5367 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 527a_100102657272_100015396687 [0,0,1,1,0,0|2,0,0]=4 5368 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [0,0,1,1,0,0|2,0,0]=4 5369 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [0,0,1,1,0,0|2,0,0]=4 5370 B8R1.83 O=C(CF)[C@@H]1C[C@@H]1F 1458a_100015396687_100015361967 [0,0,1,1,0,0|2,0,0]=4 5371 B8R1.6 C=C1CC(C1)CNC 2230a_100102567296_200000210301 [0,0,1,1,0,0|2,0,0]=4 5372 B8R1.6 C=C1CC(C1)CNC 34a_100102567296_200000210301 [0,0,1,1,0,0|2,0,0]=4 5373 B8R1.6 C=C1CC(C1)CN[13CH3] 2230a_100102567296_200025704644 [0,0,1,1,0,0|2,0,0]=4 5374 B8R1.6 C=C1CC(C1)CN[13CH3] 34a_100102567296_200025704644 [0,0,1,1,0,0|2,0,0]=4 5375 B8R1.6 C=C1CC(C1)COC 34a_100011011225_200000210301 [0,0,1,1,0,0|2,0,0]=4 5376 B8R1.6 C=C1CC(C1)CO[13CH3] 34a_100011011225_200025704644 [0,0,1,1,0,0|2,0,0]=4 5377 B8R1.6 C=C1CC(C1)NCC 2230a_100132301982_100000210202 [0,0,1,1,0,0|2,0,0]=4 5378 B8R1.6 C=CCN1CC(C1)C 2230a_100000702820_100000210623 [0,0,1,1,0,0|2,0,0]=4 5379 B8R1.6 C=CCN1CC(C1)C 269982a_100000702820_100000210623 [0,0,1,1,0,0|2,0,0]=4 5380 B8R1.6 C=CCN1CC(C1)C 34a_100000702820_100015514636 [0,0,1,1,0,0|2,0,0]=4 5381 B8R1.6 CC1CN(C1)CC=O 2230a_100000702820_200015260668 [0,0,1,1,0,0|1,0,0]=3 5382 B8R1.6 CC1CN(C1)CC=O 269982a_100000702820_200015260668 [0,0,1,1,0,0|1,0,0]=3 5383 B8R1.6 CC1CN(C1)CC=O 34a_100000702820_200009817547 [0,0,1,1,0,0|1,0,0]=3 5384 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [0,0,1,1,0,0|1,0,0]=3 5385 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [0,0,1,1,0,0|1,0,0]=3 5386 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [0,0,1,1,0,0|1,0,0]=3 5387 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [0,0,1,1,0,0|1,0,0]=3 5388 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [0,0,1,1,0,0|1,0,0]=3 5389 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [0,0,1,1,0,0|1,0,0]=3 5390 B8R1.6 O=C1CC(C1)SCF 62a_100009894365_100015361967 [0,0,1,1,0,0|2,0,0]=4 5391 B8R1.6 O=CCN1CC(C1)F 2230a_100000690557_200015260668 [0,0,1,1,0,0|2,0,0]=4 5392 B8R1.6 O=CCN1CC(C1)F 269982a_100000690557_200015260668 [0,0,1,1,0,0|2,0,0]=4 5393 B8R1.6 O=CCN1CC(C1)F 34a_100000690557_200009817547 [0,0,1,1,0,0|2,0,0]=4 5394 B8R1.6 O=CCN1CC(C1)O 269982a_100000749847_200015260668 [0,0,1,1,0,0|2,0,0]=4 5395 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [0,0,1,1,0,0|1,0,0]=3 5396 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [0,0,1,1,0,0|1,0,0]=3 5397 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [0,0,1,1,0,0|1,0,0]=3 5398 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,1,1,0,0|0,0,2]=4 5399 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,0,1,1,0,0|0,0,2]=4 5400 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,0,1,1,0,0|0,0,0]=2 5401 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,0,1,1,0,0|0,0,0]=2 5402 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,0,1,1,0,0|1,0,0]=3 5403 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,0,1,1,0,0|1,0,0]=3 5404 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,0,1,1,0,0|1,0,0]=3 5405 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,0,1,1,0,0|1,0,0]=3 5406 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,0,1,1,0,0|1,0,0]=3 5407 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [0,0,1,1,0,0|2,0,0]=4 5408 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [0,0,1,1,0,0|2,0,0]=4 5409 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [0,0,1,1,0,0|2,0,0]=4 5410 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,0,1,1,0,0|1,0,0]=3 5411 B8R1.7 CN(C)C1CCCC1 2230a_100000207505_200000210301 [0,0,1,1,0,0|2,0,0]=4 5412 B8R1.7 CN(C)C1CCCC1 2230a_100102631434_100000179811 [0,0,1,1,0,0|2,0,0]=4 5413 B8R1.7 CN(C)C1CCCC1 269982a_100000207505_200000210301 [0,0,1,1,0,0|2,0,0]=4 5414 B8R1.7 CN(C)C1CCCC1 269982a_100102631434_100000179811 [0,0,1,1,0,0|2,0,0]=4 5415 B8R1.7 CN(C)C1CCCC1 270004a_100102631434_100000210133 [0,0,1,1,0,0|2,0,0]=4 5416 B8R1.7 CN(C)C1CCCC1 34a_100000207505_200000210301 [0,0,1,1,0,0|2,0,0]=4 5417 B8R1.7 CN([13CH3])C1CCCC1 2230a_100000207505_200025704644 [0,0,1,1,0,0|2,0,0]=4 5418 B8R1.7 CN([13CH3])C1CCCC1 269982a_100000207505_200025704644 [0,0,1,1,0,0|2,0,0]=4 5419 B8R1.7 CN([13CH3])C1CCCC1 34a_100000207505_200025704644 [0,0,1,1,0,0|2,0,0]=4 5420 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,1,1,0,0|0,0,2]=4 5421 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,0,1,1,0,0|0,0,2]=4 5422 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,0,1,1,0,0|0,0,0]=2 5423 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,0,1,1,0,0|1,0,0]=3 5424 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,0,1,1,0,0|1,0,0]=3 5425 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,0,1,1,0,0|1,0,0]=3 5426 B8R1.9 O=CCN[C@@H]1C[C@@H]1F 2230a_100015190264_200015260668 [0,0,1,1,0,0|2,0,0]=4 5427 B8R1.9 O=CCN[C@@H]1C[C@H]1F 2230a_100025746932_200015260668 [0,0,1,1,0,0|2,0,0]=4 5428 B8R1.9 O=CCN[C@@H]1C[C@H]1F 34a_100025746932_200009817547 [0,0,1,1,0,0|2,0,0]=4 5429 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [0,0,1,1,0,0|2,0,0]=4 5430 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [0,0,1,1,0,0|2,0,0]=4 5431 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [0,0,1,1,0,0|2,0,0]=4 5432 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [0,0,1,1,0,0|2,0,0]=4 5433 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [0,0,1,1,0,0|2,0,0]=4 5434 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [0,0,1,1,0,0|2,0,0]=4 5435 B8R1.27 CC1(CC1CO[13CH3])C 34a_100000728257_200025704644 [0,0,1,1,0,0|2,0,0]=4 5436 B8R1.27 CC1(CC1CO[13CH3])C 7a_100000728257_200025704644 [0,0,1,1,0,0|2,0,0]=4 5437 B8R1.27 COCC1CC1(C)C 34a_100000728257_200000210301 [0,0,1,1,0,0|2,0,0]=4 5438 B8R1.27 COCC1CC1(C)C 7a_100000728257_200000210301 [0,0,1,1,0,0|2,0,0]=4 5439 B8R1.35 C=C(C)CNC1CC1 34a_100000212008_100000748629 [0,0,1,1,0,0|2,0,0]=4 5440 B8R1.35 C=C(C)COC1CC1 34a_100000210245_100000211595 [0,0,1,1,0,0|2,0,0]=4 5441 B8R1.35 C=C(C)CSC1CC1 62a_100000748629_100000211595 [0,0,1,1,0,0|2,0,0]=4 5442 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [0,0,1,1,0,0|0,0,2]=4 5443 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,0,1,1,0,0|0,0,0]=2 5444 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,0,1,1,0,0|0,0,0]=2 5445 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [0,0,1,1,0,0|1,0,0]=3 5446 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,0,1,1,0,0|1,0,0]=3 5447 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [0,0,1,1,0,0|1,0,0]=3 5448 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [0,0,1,1,0,0|1,0,0]=3 5449 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [0,0,1,1,0,0|1,0,0]=3 5450 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [0,0,1,1,0,0|1,0,0]=3 5451 B8R1.35 CC(=O)NNC1CC1 22a_100000701032_100000070787 [0,0,1,1,0,0|2,0,0]=4 5452 B8R1.35 CN(C)CCC1CC1 2230a_100102631434_100000694398 [0,0,1,1,0,0|2,0,0]=4 5453 B8R1.35 CN(C)CCC1CC1 269982a_100102631434_100000694398 [0,0,1,1,0,0|2,0,0]=4 5454 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [0,0,1,1,0,0|2,0,0]=4 5455 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [0,0,1,1,0,0|2,0,0]=4 5456 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,0,1,1,0,0|2,0,0]=4 5457 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [0,0,1,1,0,0|2,0,0]=4 5458 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [0,0,1,1,0,0|2,0,0]=4 5459 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [0,0,1,1,0,0|0,0,2]=4 5460 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,0,1,1,0,0|0,0,0]=2 5461 B8R1.36 C=CCCNC1CC1 34a_100000212008_100000754431 [0,0,1,1,0,0|2,0,0]=4 5462 B8R1.36 C=CCCOC1CC1 34a_100011205117_100000211595 [0,0,1,1,0,0|2,0,0]=4 5463 B8R1.36 C=CCCSC1CC1 62a_100000754431_100000211595 [0,0,1,1,0,0|2,0,0]=4 5464 B8R1.36 C=CCNCC1CC1 2230a_100000735609_100000210623 [0,0,1,1,0,0|2,0,0]=4 5465 B8R1.36 C=CCNCC1CC1 2230a_100020586998_100000742324 [0,0,1,1,0,0|2,0,0]=4 5466 B8R1.36 C=CCNCC1CC1 34a_100000735609_100015514636 [0,0,1,1,0,0|2,0,0]=4 5467 B8R1.36 C=CCOCC1CC1 34a_100000211283_100015514636 [0,0,1,1,0,0|2,0,0]=4 5468 B8R1.36 C=CCOCC1CC1 34a_200000210373_100000742324 [0,0,1,1,0,0|2,0,0]=4 5469 B8R1.36 C=CCSCC1CC1 62a_100000210623_100000742324 [0,0,1,1,0,0|2,0,0]=4 5470 B8R1.36 C=CCSCC1CC1 62a_100000756562_100000210623 [0,0,1,1,0,0|2,0,0]=4 5471 B8R1.36 O=CCNCC1CC1 2230a_100000735609_200015260668 [0,0,1,1,0,0|1,0,0]=3 5472 B8R1.36 O=CCNCC1CC1 34a_100000735609_200009817547 [0,0,1,1,0,0|1,0,0]=3 5473 B8R1.36 O=CCOCC1CC1 34a_100000211283_200009817547 [0,0,1,1,0,0|1,0,0]=3 5474 B8R1.36 O=CCOC[C@@H]1CO1 34a_100000757423_200009817547 [0,0,1,1,0,0|2,0,0]=4 5475 B8R1.36 O=CCSCC1CC1 62a_100000756562_200015260668 [0,0,1,1,0,0|1,0,0]=3 5476 B8R1.36 O=CCSCC1CC1 62a_200015260668_100000742324 [0,0,1,1,0,0|1,0,0]=3 5477 B8R1.36 O=CCSCC1CO1 62a_102125554688_200015260668 [0,0,1,1,0,0|2,0,0]=4 5478 B8R1.36 O=CCSCC1CO1 62a_200015260668_102125554688 [0,0,1,1,0,0|2,0,0]=4 5479 B8R1.36 O=CCSCC1CS1 62a_100000031435_200015260668 [0,0,1,1,0,0|2,0,0]=4 5480 B8R1.36 O=CCSCC1CS1 62a_200015260668_100000031435 [0,0,1,1,0,0|2,0,0]=4 5481 B8R1.36 O=CCSC[C@@H]1CO1 62a_100000745022_200015260668 [0,0,1,1,0,0|2,0,0]=4 5482 B8R1.36 O=CCSC[C@@H]1CO1 62a_200015260668_100000745022 [0,0,1,1,0,0|2,0,0]=4 5483 B8R1.8 C=CCN1CCCC1 2230a_100000188435_100000210623 [0,0,1,1,0,0|2,0,0]=4 5484 B8R1.8 C=CCN1CCCC1 269982a_100000188435_100000210623 [0,0,1,1,0,0|2,0,0]=4 5485 B8R1.8 CCCN1CC=CC1 269982a_100015195280_100000210303 [0,0,1,1,0,0|2,0,0]=4 5486 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [0,0,1,1,0,0|2,0,0]=4 5487 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [0,0,1,1,0,0|2,0,0]=4 5488 B8R1.8 CCNC1CC=CC1 2230a_100015188752_100000210202 [0,0,1,1,0,0|2,0,0]=4 5489 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [0,0,1,1,0,0|2,0,0]=4 5490 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [0,0,1,1,0,0|2,0,0]=4 5491 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [0,0,1,1,0,0|2,0,0]=4 5492 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [0,0,1,1,0,0|2,0,0]=4 5493 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [0,0,1,1,0,0|2,0,0]=4 5494 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [0,0,1,1,0,0|2,0,0]=4 5495 B8R1.8 COCC1CC=CC1 34a_100000688395_200000210301 [0,0,1,1,0,0|2,0,0]=4 5496 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [0,0,1,1,0,0|2,0,0]=4 5497 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [0,0,1,1,0,0|2,0,0]=4 5498 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [0,0,1,1,0,0|2,0,0]=4 5499 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [0,0,1,1,0,0|2,0,0]=4 5500 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [0,0,1,1,0,0|2,0,0]=4 5501 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [0,0,1,1,0,0|1,0,0]=3 5502 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [0,0,1,1,0,0|1,0,0]=3 5503 B8R1.8 O=CCN1CCSC1 2230a_100011215254_200015260668 [0,0,1,1,0,0|2,0,0]=4 5504 B8R1.8 O=CCN1CCSC1 269982a_100011215254_200015260668 [0,0,1,1,0,0|2,0,0]=4 5505 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [0,0,1,1,0,0|2,0,0]=4 5506 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [0,0,1,1,0,0|2,0,0]=4 5507 B8R1.8 [13CH3]OCC1CC=CC1 34a_100000688395_200025704644 [0,0,1,1,0,0|2,0,0]=4 5508 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [0,0,1,1,0,0|2,0,0]=4 5509 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [0,0,1,1,0,0|2,0,0]=4 5510 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [0,0,1,1,0,0|2,0,0]=4 5511 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [0,0,1,1,0,0|2,0,0]=4 5512 B8R1.37 C#CCC(=O)C1CC1 1458a_100000210395_100000184674 [0,0,1,1,0,0|0,0,2]=4 5513 B8R1.37 C=CCC(=O)C1CC1 1458a_100000210395_100000210623 [0,0,1,1,0,0|0,0,2]=4 5514 B8R1.37 C=CCN(C)C1CC1 2230a_100000226674_100000210623 [0,0,1,1,0,0|2,0,0]=4 5515 B8R1.37 C=CCN(C)C1CC1 269982a_100000225617_100000211595 [0,0,1,1,0,0|2,0,0]=4 5516 B8R1.37 C=CCN(C)C1CC1 269982a_100000226674_100000210623 [0,0,1,1,0,0|2,0,0]=4 5517 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [0,0,1,1,0,0|0,0,0]=2 5518 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [0,0,1,1,0,0|1,0,0]=3 5519 B8R1.37 CCCN(C)C1CC1 2230a_100000226674_100000210303 [0,0,1,1,0,0|2,0,0]=4 5520 B8R1.37 CCCN(C)C1CC1 2230a_100000765834_200000210301 [0,0,1,1,0,0|2,0,0]=4 5521 B8R1.37 CCCN(C)C1CC1 269982a_100000226674_100000210303 [0,0,1,1,0,0|2,0,0]=4 5522 B8R1.37 CCCN(C)C1CC1 269982a_100000747261_100000211595 [0,0,1,1,0,0|2,0,0]=4 5523 B8R1.37 CCCN(C)C1CC1 269982a_100000765834_200000210301 [0,0,1,1,0,0|2,0,0]=4 5524 B8R1.37 CCCN([13CH3])C1CC1 2230a_100000765834_200025704644 [0,0,1,1,0,0|2,0,0]=4 5525 B8R1.37 CCCN([13CH3])C1CC1 269982a_100000765834_200025704644 [0,0,1,1,0,0|2,0,0]=4 5526 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [0,0,1,1,0,0|1,0,0]=3 5527 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [0,0,1,1,0,0|1,0,0]=3 5528 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [0,0,1,1,0,0|1,0,0]=3 5529 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [0,0,1,1,0,0|2,0,0]=4 5530 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [0,0,1,1,0,0|2,0,0]=4 5531 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [0,0,1,1,0,0|2,0,0]=4 5532 B8R1.37 CN(CC=O)C1CC1 2230a_100000226674_200015260668 [0,0,1,1,0,0|1,0,0]=3 5533 B8R1.37 CN(CC=O)C1CC1 269982a_100000226674_200015260668 [0,0,1,1,0,0|1,0,0]=3 5534 B8R1.37 CNCC(=O)C1CC1 2230a_106832991635_100000746382 [0,0,1,1,0,0|1,0,0]=3 5535 B8R1.37 CNCC(=O)C1CC1 34a_100102657272_100000746382 [0,0,1,1,0,0|1,0,0]=3 5536 B8R1.37 CNCC(=O)C1CC1 7a_106832991635_100000746382 [0,0,1,1,0,0|1,0,0]=3 5537 B8R1.37 CNNC(=O)C1CC1 22a_100016993582_100000210395 [0,0,1,1,0,0|2,0,0]=4 5538 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [0,0,1,1,0,0|1,0,0]=3 5539 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [0,0,1,1,0,0|1,0,0]=3 5540 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [0,0,1,1,0,0|1,0,0]=3 5541 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [0,0,1,1,0,0|1,0,0]=3 5542 B8R1.37 N#CCC(=O)C1CC1 1458a_100000210395_100011214920 [0,0,1,1,0,0|1,0,1]=4 5543 B8R1.37 O=C(CCF)C1CC1 1458a_100000210395_100011217306 [0,0,1,1,0,0|1,0,0]=3 5544 B8R1.37 O=C(CCF)C1CO1 1458a_100000701028_100011217306 [0,0,1,1,0,0|2,0,0]=4 5545 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [0,0,1,1,0,0|1,0,0]=3 5546 B8R1.37 O=C(CCO)C1CO1 1458a_100000701028_100000211926 [0,0,1,1,0,0|2,0,0]=4 5547 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [0,0,1,1,0,0|1,0,0]=3 5548 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [0,0,1,1,0,0|1,0,0]=3 5549 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [0,0,1,1,0,0|1,0,0]=3 5550 B8R1.66 CC1(CCC1)CN[13CH3] 2230a_100000706607_200025704644 [0,0,1,1,0,0|2,0,0]=4 5551 B8R1.66 CC1(CCC1)CS[13CH3] 62a_100000726658_200025704644 [0,0,1,1,0,0|2,0,0]=4 5552 B8R1.66 CC1(CCC1)CS[13CH3] 62a_200025704644_100000726658 [0,0,1,1,0,0|2,0,0]=4 5553 B8R1.66 CNCC1(CCC1)C 2230a_100000706607_200000210301 [0,0,1,1,0,0|2,0,0]=4 5554 B8R1.66 CNCC1(CCC1)C 2230a_106832991635_100000726658 [0,0,1,1,0,0|2,0,0]=4 5555 B8R1.66 CNCC1(CCC1)C 34a_100102657272_100000726658 [0,0,1,1,0,0|2,0,0]=4 5556 B8R1.66 CNCC1(CCC1)C 7a_106832991635_100000726658 [0,0,1,1,0,0|2,0,0]=4 5557 B8R1.66 COCC1(CCC1)C 34a_100138415774_100000726658 [0,0,1,1,0,0|2,0,0]=4 5558 B8R1.66 CSCC1(CCC1)C 62a_100000726658_200000210301 [0,0,1,1,0,0|2,0,0]=4 5559 B8R1.66 CSCC1(CCC1)C 62a_200000210301_100000726658 [0,0,1,1,0,0|2,0,0]=4 5560 B8R2.18 CN1CC2CC2C1 2230a_100000741873_200000210301 [1,0,0,1,0,0|1,0,1]=4 5561 B8R2.18 CN1CC2CC2C1 269982a_100000741873_200000210301 [1,0,0,1,0,0|1,0,1]=4 5562 B8R2.18 CN1CC2CC2C1 34a_100000741873_200000210301 [1,0,0,1,0,0|1,0,1]=4 5563 B8R2.18 [13CH3]N1CC2CC2C1 2230a_100000741873_200025704644 [1,0,0,1,0,0|1,0,1]=4 5564 B8R2.18 [13CH3]N1CC2CC2C1 269982a_100000741873_200025704644 [1,0,0,1,0,0|1,0,1]=4 5565 B8R2.18 [13CH3]N1CC2CC2C1 34a_100000741873_200025704644 [1,0,0,1,0,0|1,0,1]=4 5566 B10R2.62 CN1CC2CCC1CC2 2230a_100000750499_200000210301 [0,1,0,1,0,0|2,0,0]=4 5567 B10R2.62 CN1CC2CCC1CC2 269982a_100000750499_200000210301 [0,1,0,1,0,0|2,0,0]=4 5568 B10R2.62 CN1CC2CCC1CC2 34a_100000750499_200000210301 [0,1,0,1,0,0|2,0,0]=4 5569 B10R2.62 [13CH3]N1CC2CCC1CC2 2230a_100000750499_200025704644 [0,1,0,1,0,0|2,0,0]=4 5570 B10R2.62 [13CH3]N1CC2CCC1CC2 269982a_100000750499_200025704644 [0,1,0,1,0,0|2,0,0]=4 5571 B10R2.62 [13CH3]N1CC2CCC1CC2 34a_100000750499_200025704644 [0,1,0,1,0,0|2,0,0]=4 5572 B10R2.99 CCN1CC2CCC1C2 2230a_100000743476_100000210202 [0,1,0,1,0,0|2,0,0]=4 5573 B10R2.99 CCN1CC2CCC1C2 269982a_100000743476_100000204670 [0,1,0,1,0,0|2,0,0]=4 5574 B10R2.99 CCN1CC2CCC1C2 34a_100000743476_100000210202 [0,1,0,1,0,0|2,0,0]=4 5575 B10R2.99 CNC1CC2CCC1C2 2230a_100000758229_200000210301 [0,1,0,1,0,0|1,0,1]=4 5576 B10R2.99 CNC1CC2CCC1C2 269862a_106832991636_100000223372 [0,1,0,1,0,0|1,0,1]=4 5577 B10R2.99 CNC1CC2CCC1C2 270004a_106832991635_100000223372 [0,1,0,1,0,0|1,0,1]=4 5578 B10R2.99 CNC1CC2CCC1C2 34a_100000758229_200000210301 [0,1,0,1,0,0|1,0,1]=4 5579 B10R2.99 CNC1CC2CCC1C2 34a_100102657272_100000727232 [0,1,0,1,0,0|1,0,1]=4 5580 B10R2.99 COC1CC2CCC1C2 34a_100000211339_200000210301 [0,1,0,1,0,0|0,0,2]=4 5581 B10R2.99 COC1CC2CCC1C2 34a_100138415774_100000727232 [0,1,0,1,0,0|0,0,2]=4 5582 B10R2.99 CSC1CC2CCC1C2 62a_100000727232_200000210301 [0,1,0,1,0,0|0,1,1]=4 5583 B10R2.99 CSC1CC2CCC1C2 62a_200000210301_100000727232 [0,1,0,1,0,0|0,1,1]=4 5584 B10R2.99 FCN1CC2CCC1C2 269982a_100000743476_100015361967 [0,1,0,1,0,0|2,0,0]=4 5585 B10R2.99 FCN1CC2CCC1C2 34a_100000743476_100015361967 [0,1,0,1,0,0|2,0,0]=4 5586 B10R2.99 [13CH3]NC1CC2CCC1C2 2230a_100000758229_200025704644 [0,1,0,1,0,0|1,0,1]=4 5587 B10R2.99 [13CH3]NC1CC2CCC1C2 34a_100000758229_200025704644 [0,1,0,1,0,0|1,0,1]=4 5588 B10R2.99 [13CH3]OC1CC2CCC1C2 34a_100000211339_200025704644 [0,1,0,1,0,0|0,0,2]=4 5589 B10R2.99 [13CH3]SC1CC2CCC1C2 62a_100000727232_200025704644 [0,1,0,1,0,0|0,1,1]=4 5590 B10R2.99 [13CH3]SC1CC2CCC1C2 62a_200025704644_100000727232 [0,1,0,1,0,0|0,1,1]=4 5591 B10R2.402 CNC1CCCC2C1C2 269862a_106832991636_100000697651 [0,1,0,1,0,0|1,0,1]=4 5592 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [0,0,1,0,1,0|0,0,2]=4 5593 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,0,1,0,1,0|0,0,2]=4 5594 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,0,1,0,1,0|0,0,2]=4 5595 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,0,1,0,1,0|0,0,2]=4 5596 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,0,1,0,1,0|0,0,2]=4 5597 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,0,1,0,1,0|2,0,0]=4 5598 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [0,0,1,0,1,0|0,0,2]=4 5599 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,0,1,0,1,0|0,0,2]=4 5600 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,0,1,0,1,0|0,0,2]=4 5601 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,0,1,0,1,0|1,0,1]=4 5602 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,0,1,0,1,0|1,0,1]=4 5603 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,0,1,0,1,0|1,0,0]=3 5604 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,0,1,0,1,0|1,0,0]=3 5605 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,0,1,0,1,0|1,0,0]=3 5606 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,0,1,0,1,0|2,0,0]=4 5607 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,0,1,0,1,0|1,0,1]=4 5608 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [0,0,1,0,1,0|1,0,0]=3 5609 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [0,0,1,0,1,0|1,0,0]=3 5610 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [0,0,1,0,1,0|2,0,0]=4 5611 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,0,1,0,1,0|2,0,0]=4 5612 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,0,1,0,1,0|2,0,0]=4 5613 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [0,0,1,0,1,0|0,0,0]=2 5614 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [0,0,1,0,1,0|0,0,0]=2 5615 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [0,0,1,0,1,0|1,0,0]=3 5616 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,0,1,0,1,0|2,0,0]=4 5617 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [0,0,1,0,1,0|1,0,0]=3 5618 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [0,0,1,0,1,0|1,0,0]=3 5619 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [0,0,1,0,1,0|1,0,0]=3 5620 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [0,0,1,0,1,0|1,0,0]=3 5621 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,0,1,0,1,0|1,0,0]=3 5622 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,0,1,0,1,0|1,0,0]=3 5623 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,0,1,0,1,0|0,0,0]=2 5624 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,0,1,0,1,0|0,0,0]=2 5625 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,0,1,0,1,0|0,0,0]=2 5626 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,0,1,0,1,0|2,0,0]=4 5627 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,0,1,0,1,0|2,0,0]=4 5628 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,0,1,0,1,0|2,0,0]=4 5629 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,0,1,0,1,0|2,0,0]=4 5630 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,0,1,0,1,0|2,0,0]=4 5631 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,0,1,0,1,0|2,0,0]=4 5632 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,0,1,0,1,0|1,0,0]=3 5633 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,0,1,0,1,0|1,0,0]=3 5634 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,0,1,0,1,0|1,0,0]=3 5635 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,0,1,0,1,0|1,0,0]=3 5636 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,0,1,0,1,0|1,0,0]=3 5637 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,0,1,0,1,0|1,0,0]=3 5638 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,0,1,0,1,0|2,0,0]=4 5639 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,0,1,0,1,0|2,0,0]=4 5640 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,0,1,0,1,0|2,0,0]=4 5641 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,0,1,0,1,0|2,0,0]=4 5642 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,0,1,0,1,0|2,0,0]=4 5643 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,0,1,0,1,0|2,0,0]=4 5644 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,0,1,0,1,0|2,0,0]=4 5645 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [0,0,1,0,1,0|2,0,0]=4 5646 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [0,0,1,0,1,0|2,0,0]=4 5647 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [0,0,1,0,1,0|1,0,0]=3 5648 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [0,0,1,0,1,0|1,0,0]=3 5649 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [0,0,1,0,1,0|1,0,0]=3 5650 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [0,0,1,0,1,0|1,0,0]=3 5651 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [0,0,1,0,1,0|2,0,0]=4 5652 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [0,0,1,0,1,0|2,0,0]=4 5653 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [0,0,1,0,1,0|2,0,0]=4 5654 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [0,0,1,0,1,0|2,0,0]=4 5655 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [0,0,1,0,1,0|2,0,0]=4 5656 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [0,0,1,0,1,0|2,0,0]=4 5657 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [0,0,1,0,1,0|2,0,0]=4 5658 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [0,0,1,0,1,0|2,0,0]=4 5659 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,0,1,0,1,0|1,0,0]=3 5660 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,0,1,0,1,0|1,0,0]=3 5661 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,0,1,0,1,0|2,0,0]=4 5662 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,0,1,0,1,0|2,0,0]=4 5663 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,0,1,0,1,0|2,0,0]=4 5664 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,0,1,0,1,0|2,0,0]=4 5665 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,0,1,0,1,0|2,0,0]=4 5666 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,0,1,0,1,0|2,0,0]=4 5667 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,0,1,0,1,0|1,0,0]=3 5668 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,0,1,0,1,0|1,0,0]=3 5669 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,0,1,0,1,0|2,0,0]=4 5670 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,0,1,0,1,0|1,0,0]=3 5671 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,0,1,0,1,0|2,0,0]=4 5672 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,0,1,0,1,0|2,0,0]=4 5673 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,0,1,0,1,0|2,0,0]=4 5674 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,0,1,0,1,0|1,0,0]=3 5675 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,0,1,0,1,0|1,0,0]=3 5676 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,0,1,0,1,0|1,0,0]=3 5677 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,0,1,0,1,0|2,0,0]=4 5678 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,0,1,0,1,0|2,0,0]=4 5679 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,0,1,0,1,0|1,0,0]=3 5680 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,0,1,0,1,0|2,0,0]=4 5681 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,0,1,0,1,0|2,0,0]=4 5682 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [0,0,1,0,1,0|2,0,0]=4 5683 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,0,1,0,1,0|2,0,0]=4 5684 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,0,1,0,1,0|2,0,0]=4 5685 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,0,1,0,1,0|2,0,0]=4 5686 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [0,0,1,0,1,0|2,0,0]=4 5687 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,0,1,0,1,0|2,0,0]=4 5688 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,0,1,0,1,0|2,0,0]=4 5689 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [1,0,0,0,1,0|1,0,1]=4 5690 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [1,0,0,0,1,0|1,0,0]=3 5691 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [1,0,0,0,1,0|1,0,0]=3 5692 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [1,0,0,0,1,0|2,0,0]=4 5693 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [1,0,0,0,1,0|2,0,0]=4 5694 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [1,0,0,0,1,0|1,0,1]=4 5695 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [1,0,0,0,1,0|1,0,0]=3 5696 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [1,0,0,0,1,0|1,0,0]=3 5697 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [1,0,0,0,1,0|2,0,0]=4 5698 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [1,0,0,0,1,0|2,0,0]=4 5699 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,0,0,0,2,0|2,0,0]=4 5700 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,0,0,0,2,0|2,0,0]=4 5701 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,0,0,0,2,0|2,0,0]=4 5702 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,0,0,0,2,0|2,0,0]=4 5703 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [0,0,0,0,2,0|2,0,0]=4 5704 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [0,0,0,0,2,0|2,0,0]=4 5705 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [0,0,0,0,2,0|2,0,0]=4 5706 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [0,0,0,0,2,0|2,0,0]=4 5707 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [0,0,0,0,2,0|2,0,0]=4 5708 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [0,0,0,0,2,0|2,0,0]=4