0 B9R1.69 CC1CCN(CC1O)C 2230a_100000696640_200000210301 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.69 CC1CCN(CC1O)C 269982a_100000696640_200000210301 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.69 CC1CCN(CC1O)[13CH3] 2230a_100000696640_200025704644 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.69 CC1CCN(CC1O)[13CH3] 269982a_100000696640_200025704644 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.69 CC1CN(CCC1O)C 2230a_100011998114_200000210301 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.69 CC1CN(CCC1O)C 269982a_100011998114_200000210301 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.69 CC1CN(CCC1O)[13CH3] 2230a_100011998114_200025704644 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.69 CC1CN(CCC1O)[13CH3] 269982a_100011998114_200025704644 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.69 CN1CC[C@H]([C@H](C1)F)O 2230a_200016994291_200000210301 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.69 CN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_200000210301 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200000210301 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200000210301 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 2230a_100016991869_200000210301 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 269982a_100016991869_200000210301 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 34a_100016991869_200000210301 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 2230a_100016991869_200025704644 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 269982a_100016991869_200025704644 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 34a_100016991869_200025704644 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.69 C[C@H]1CN(CCN1C)C 2230a_100012002466_200000210301 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.69 C[C@H]1CN(CCN1C)C 2230a_100020603432_200000210301 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.69 C[C@H]1CN(CCN1C)C 269982a_100012002466_200000210301 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.69 C[C@H]1CN(CCN1C)C 269982a_100020603432_200000210301 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.69 C[C@H]1CN(CCN1C)[13CH3] 2230a_100020603432_200025704644 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.69 C[C@H]1CN(CCN1C)[13CH3] 269982a_100020603432_200025704644 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.69 C[C@H]1CN(CCN1[13CH3])C 2230a_100012002466_200025704644 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.69 C[C@H]1CN(CCN1[13CH3])C 269982a_100012002466_200025704644 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)F)O 2230a_200016994291_200025704644 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)F)O 269982a_200016994291_200025704644 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200025704644 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200025704644 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.3 CN1CCC(CC1)F 2230a_100015193889_200000210301 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.3 CN1CCC(CC1)F 269982a_100015193889_200000210301 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.3 CN1CCC(CC1)F 34a_100015193889_200000210301 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.3 CN1CCC(CC1)O 2230a_100025773856_200000210301 [1,0,0,0,0,0|1,0,0]=2 46 B8R1.3 CN1CCC(CC1)O 269982a_100025773856_200000210301 [1,0,0,0,0,0|1,0,0]=2 47 B8R1.3 CN1CCN(CC1)C 2230a_100000188432_200000210301 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.3 CN1CCN(CC1)C 269982a_100000188432_200000210301 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.3 CN1CCN(CC1)[13CH3] 2230a_100000188432_200025704644 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.3 CN1CCN(CC1)[13CH3] 269982a_100000188432_200025704644 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.3 [13CH3]N1CCC(CC1)F 2230a_100015193889_200025704644 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.3 [13CH3]N1CCC(CC1)F 269982a_100015193889_200025704644 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.3 [13CH3]N1CCC(CC1)F 34a_100015193889_200025704644 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.3 [13CH3]N1CCC(CC1)O 2230a_100025773856_200025704644 [1,0,0,0,0,0|1,0,0]=2 57 B8R1.3 [13CH3]N1CCC(CC1)O 269982a_100025773856_200025704644 [1,0,0,0,0,0|1,0,0]=2 58 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.4 CN1CCCC(C1)F 2230a_100000697950_200000210301 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.4 CN1CCCC(C1)F 269982a_100000697950_200000210301 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.4 CN1CCCC(C1)F 34a_100000697950_200000210301 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [1,0,0,0,0,0|1,0,0]=2 70 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [1,0,0,0,0,0|1,0,0]=2 71 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.4 [13CH3]N1CCCC(C1)F 2230a_100000697950_200025704644 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.4 [13CH3]N1CCCC(C1)F 269982a_100000697950_200025704644 [1,0,0,0,0,0|2,0,0]=3 81 B8R1.4 [13CH3]N1CCCC(C1)F 34a_100000697950_200025704644 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [1,0,0,0,0,0|1,0,0]=2 83 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [1,0,0,0,0,0|1,0,0]=2 84 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [1,0,0,0,0,0|1,0,0]=2 87 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [1,0,0,0,0,0|1,0,0]=2 88 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [1,0,0,0,0,0|1,0,0]=2 89 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [1,0,0,0,0,0|1,0,0]=2 90 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [1,0,0,0,0,0|1,0,0]=2 91 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [1,0,0,0,0,0|1,0,0]=2 92 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [1,0,0,0,0,0|2,0,0]=3 93 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [1,0,0,0,0,0|2,0,0]=3 94 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [1,0,0,0,0,0|2,0,0]=3 96 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [1,0,0,0,0,0|2,0,0]=3 97 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.22 C[C@@H]1CN(C[C@@H](N1C)C)C 2230a_100009821712_200000210301 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.22 C[C@@H]1CN(C[C@@H](N1C)C)C 269982a_100009821712_200000210301 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.22 C[C@@H]1CN(C[C@@H](N1C)C)[13CH3] 2230a_100009821712_200025704644 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.22 C[C@@H]1CN(C[C@@H](N1C)C)[13CH3] 269982a_100009821712_200025704644 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 34a_100011539931_200025704644 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 7a_100011539931_200025704644 [0,1,0,0,0,0|1,0,0]=2 104 B10R1.25 CCN1CCN(CC1C)C 2230a_100000753023_200000210301 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.25 CCN1CCN(CC1C)C 269982a_100000753023_200000210301 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.25 CCN1CCN(CC1C)[13CH3] 2230a_100000753023_200025704644 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.25 CCN1CCN(CC1C)[13CH3] 269982a_100000753023_200025704644 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.25 CCN1CCN(C[C@@H]1C)C 2230a_100012002466_100000210202 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.25 CCN1CCN(C[C@@H]1C)C 269982a_100012002466_100000204670 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.25 COC1CCC(CC1C)C 34a_100011539931_200000210301 [0,1,0,0,0,0|1,0,0]=2 111 B10R1.25 COC1CCC(CC1C)C 7a_100011539931_200000210301 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)C 2230a_200015396376_200000210301 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)C 269982a_200015396376_200000210301 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)[13CH3] 2230a_200015396376_200025704644 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)[13CH3] 269982a_200015396376_200025704644 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.25 C[C@H]1CN(CCN1CF)C 269982a_100012002466_100015361967 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.30 CC1CCC(C(C1)O[13CH3])C 34a_100011217446_200025704644 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.30 CC1CCC(C(C1)O[13CH3])C 7a_100011217446_200025704644 [0,1,0,0,0,0|1,0,0]=2 119 B10R1.30 CCC1CN(CCN1C)C 2230a_100011941019_200000210301 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.30 CCC1CN(CCN1C)C 269982a_100011941019_200000210301 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.30 CCC1CN(CCN1[13CH3])C 2230a_100011941019_200025704644 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.30 CCC1CN(CCN1[13CH3])C 269982a_100011941019_200025704644 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.30 CCN1C[C@H](OC[C@H]1C)C 2230a_100016991869_100000210202 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.30 CCN1C[C@H](OC[C@H]1C)C 269982a_100016991869_100000204670 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.30 CCN1C[C@H](OC[C@H]1C)C 34a_100016991869_100000210202 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.30 CNC1CC(CCC1C)C 269862a_106832991636_100000034887 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.30 CNC1CC(CCC1C)C 270004a_106832991635_100000034887 [0,1,0,0,0,0|1,0,0]=2 128 B10R1.30 COC1CC(CCC1C)C 34a_100011217446_200000210301 [0,1,0,0,0,0|1,0,0]=2 129 B10R1.30 COC1CC(CCC1C)C 7a_100011217446_200000210301 [0,1,0,0,0,0|1,0,0]=2 130 B10R1.30 C[C@@H]1CN([C@@H](CO1)C)CF 269982a_100016991869_100015361967 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.30 C[C@@H]1CN([C@@H](CO1)C)CF 34a_100016991869_100015361967 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.63 CC1CN(CCC1(F)F)C 2230a_100000732867_200000210301 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.63 CC1CN(CCC1(F)F)C 269982a_100000732867_200000210301 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.63 CC1CN(CCC1(F)F)C 34a_100000732867_200000210301 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.63 CC1CN(CCC1(F)F)[13CH3] 2230a_100000732867_200025704644 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.63 CC1CN(CCC1(F)F)[13CH3] 269982a_100000732867_200025704644 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.63 CC1CN(CCC1(F)F)[13CH3] 34a_100000732867_200025704644 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.120 CC1(CC(CCN1[13CH3])O)C 2230a_100102422732_200025704644 [0,1,0,0,0,0|1,0,0]=2 139 B10R1.120 CC1(CC(CCN1[13CH3])O)C 269982a_100102422732_200025704644 [0,1,0,0,0,0|1,0,0]=2 140 B10R1.120 CC1(CN(CCC1O)[13CH3])C 2230a_100000709803_200025704644 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.120 CC1(CN(CCC1O)[13CH3])C 269982a_100000709803_200025704644 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.120 CC1(CN(CCC1O)[13CH3])C 34a_100000709803_200025704644 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.120 CN1CCC(C(C1)(C)C)O 2230a_100000709803_200000210301 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.120 CN1CCC(C(C1)(C)C)O 269982a_100000709803_200000210301 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.120 CN1CCC(C(C1)(C)C)O 34a_100000709803_200000210301 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.120 CN1CCC(CC1(C)C)O 2230a_100102422732_200000210301 [0,1,0,0,0,0|1,0,0]=2 147 B10R1.120 CN1CCC(CC1(C)C)O 269982a_100102422732_200000210301 [0,1,0,0,0,0|1,0,0]=2 148 B10R1.120 CN1CCN(C(C1)(C)C)C 2230a_200000695439_200000210301 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.120 CN1CCN(C(C1)(C)C)C 269982a_200000695439_200000210301 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.120 CN1CCN(C(C1)(C)C)[13CH3] 2230a_200000695439_200025704644 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.120 CN1CCN(C(C1)(C)C)[13CH3] 269982a_200000695439_200025704644 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.176 CC1CCC(CC1C)O[13CH3] 34a_100011215933_200025704644 [0,1,0,0,0,0|0,0,0]=1 153 B10R1.176 CC1CCC(CC1C)O[13CH3] 7a_100011215933_200025704644 [0,1,0,0,0,0|0,0,0]=1 154 B10R1.176 CC1CCN(CC1O)CF 269982a_100000696640_100015361967 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.176 CC1CN(CCC1O)CF 269982a_100011998114_100015361967 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.176 CCC1CCC(N(C1)C)C 2230a_100011219223_200000210301 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.176 CCC1CCC(N(C1)C)C 269982a_100011219223_200000210301 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.176 CCC1CCC(N(C1)C)C 34a_100011219223_200000210301 [0,1,0,0,0,0|2,0,0]=3 159 B10R1.176 CCC1CCC(N(C1)[13CH3])C 2230a_100011219223_200025704644 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.176 CCC1CCC(N(C1)[13CH3])C 269982a_100011219223_200025704644 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.176 CCC1CCC(N(C1)[13CH3])C 34a_100011219223_200025704644 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.176 CCN1CCC(C(C1)C)O 2230a_100011998114_100000210202 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.176 CCN1CCC(C(C1)C)O 269982a_100011998114_100000204670 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.176 CCN1CCC(C(C1)O)C 2230a_100000696640_100000210202 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.176 CCN1CCC(C(C1)O)C 269982a_100000696640_100000204670 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.176 CCN1CCN([C@H](C1)C)C 2230a_100020603432_100000210202 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.176 CCN1CCN([C@H](C1)C)C 269982a_100020603432_100000204670 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.176 CNC1CCC(C(C1)C)C 270004a_106832991635_100000759390 [0,1,0,0,0,0|1,0,0]=2 169 B10R1.176 COC1CCC(C(C1)C)C 34a_100011215933_200000210301 [0,1,0,0,0,0|0,0,0]=1 170 B10R1.176 COC1CCC(C(C1)C)C 7a_100011215933_200000210301 [0,1,0,0,0,0|0,0,0]=1 171 B10R1.176 C[C@H]1CN(CCN1C)CF 269982a_100020603432_100015361967 [0,1,0,0,0,0|3,0,0]=4 172 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,0,1,0,0,0|1,0,2]=4 173 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,0,1,0,0,0|1,0,2]=4 174 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,0,1,0,0,0|1,0,2]=4 175 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,0,1,0,0,0|1,0,2]=4 176 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,0,1,0,0,0|1,0,2]=4 177 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,0,1,0,0,0|1,0,2]=4 178 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,0,1,0,0,0|1,0,2]=4 179 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,0,1,0,0,0|1,0,2]=4 180 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,0,1,0,0,0|1,0,2]=4 181 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,0,1,0,0,0|1,0,2]=4 182 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,0,1,0,0,0|1,0,2]=4 183 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [0,0,1,0,0,0|2,0,0]=3 184 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [0,0,1,0,0,0|2,0,0]=3 185 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [0,0,1,0,0,0|2,0,0]=3 186 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [0,0,1,0,0,0|2,0,0]=3 187 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [0,0,1,0,0,0|2,0,0]=3 188 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [0,0,1,0,0,0|2,0,0]=3 189 B8R0.1 CCCC(C)COCC 34a_100000688023_100000210202 [0,0,1,0,0,0|2,0,0]=3 190 B8R0.1 CCCC(C)COCC 34a_100121572206_100011216630 [0,0,1,0,0,0|2,0,0]=3 191 B8R0.1 CCCC(C)COCC 7a_100000688023_100000210202 [0,0,1,0,0,0|2,0,0]=3 192 B8R0.1 CCCC(C)COCF 34a_100000688023_100015361967 [0,0,1,0,0,0|3,0,0]=4 193 B8R0.1 CCCC(C)COCF 7a_100000688023_100015361967 [0,0,1,0,0,0|3,0,0]=4 194 B8R0.1 CCCC(C)CSCC 62a_100000210202_100011216630 [0,0,1,0,0,0|2,0,0]=3 195 B8R0.1 CCCC(C)CSCC 62a_100011216630_100000210202 [0,0,1,0,0,0|2,0,0]=3 196 B8R0.1 CCCC(C)CSCF 62a_100011216630_100015361967 [0,0,1,0,0,0|3,0,0]=4 197 B8R0.1 CCCC(C)CSCF 62a_100015361967_100011216630 [0,0,1,0,0,0|3,0,0]=4 198 B8R0.1 CCCC(C)NCCF 2230a_100000741246_100011217306 [0,0,1,0,0,0|3,0,0]=4 199 B8R0.1 CCCC(C)NCCF 34a_100000724931_100000766640 [0,0,1,0,0,0|3,0,0]=4 200 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [0,0,1,0,0,0|3,0,0]=4 201 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [0,0,1,0,0,0|3,0,0]=4 202 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [0,0,1,0,0,0|3,0,0]=4 203 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [0,0,1,0,0,0|3,0,0]=4 204 B8R0.1 CCCC(C)NCOC 2230a_100000741246_100000766300 [0,0,1,0,0,0|3,0,0]=4 205 B8R0.1 CCCC(C)NCSC 2230a_100000741246_100011218213 [0,0,1,0,0,0|3,0,0]=4 206 B8R0.1 CCCC(C)OCCBr 34a_100000211926_100000766640 [0,0,1,0,0,0|3,0,0]=4 207 B8R0.1 CCCC(C)OCCF 34a_100000764384_100011217306 [0,0,1,0,0,0|3,0,0]=4 208 B8R0.1 CCCC(C)OCCF 7a_100000764384_100011217306 [0,0,1,0,0,0|3,0,0]=4 209 B8R0.1 CCCC(C)OCCN 34a_100000210304_100000766640 [0,0,1,0,0,0|3,0,0]=4 210 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [0,0,1,0,0,0|3,0,0]=4 211 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [0,0,1,0,0,0|3,0,0]=4 212 B8R0.1 CCCC(C)OCSC 34a_100000764384_100011218213 [0,0,1,0,0,0|3,0,0]=4 213 B8R0.1 CCCC(C)SCCF 62a_100000766640_100011217306 [0,0,1,0,0,0|3,0,0]=4 214 B8R0.1 CCCC(C)SCCF 62a_100011217306_100000766640 [0,0,1,0,0,0|3,0,0]=4 215 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [0,0,1,0,0,0|3,0,0]=4 216 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [0,0,1,0,0,0|3,0,0]=4 217 B8R0.1 CCCC(C)SCOC 62a_100000766300_100000766640 [0,0,1,0,0,0|3,0,0]=4 218 B8R0.1 CCCC(C)SCOC 62a_100000766640_100000766300 [0,0,1,0,0,0|3,0,0]=4 219 B8R0.1 CCCC(C)SCSC 62a_100000766640_100011218213 [0,0,1,0,0,0|3,0,0]=4 220 B8R0.1 CCCC(C)SCSC 62a_100011218213_100000766640 [0,0,1,0,0,0|3,0,0]=4 221 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,0,1,0,0,0|0,0,2]=3 222 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,0,1,0,0,0|0,0,2]=3 223 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,0,1,0,0,0|1,0,2]=4 224 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,0,1,0,0,0|1,0,2]=4 225 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,0,1,0,0,0|1,0,2]=4 226 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,0,1,0,0,0|1,0,2]=4 227 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,0,1,0,0,0|1,0,2]=4 228 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,0,1,0,0,0|1,0,2]=4 229 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,0,1,0,0,0|1,0,2]=4 230 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,0,1,0,0,0|1,0,2]=4 231 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [0,0,1,0,0,0|2,0,0]=3 232 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [0,0,1,0,0,0|2,0,0]=3 233 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [0,0,1,0,0,0|2,0,0]=3 234 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [0,0,1,0,0,0|2,0,0]=3 235 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [0,0,1,0,0,0|2,0,0]=3 236 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [0,0,1,0,0,0|2,0,0]=3 237 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [0,0,1,0,0,0|2,0,0]=3 238 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,0,1,0,0,0|2,0,0]=3 239 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,0,1,0,0,0|2,0,0]=3 240 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,0,1,0,0,0|2,0,0]=3 241 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [0,0,1,0,0,0|3,0,0]=4 242 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [0,0,1,0,0,0|3,0,0]=4 243 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [0,0,1,0,0,0|2,0,0]=3 244 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [0,0,1,0,0,0|2,0,0]=3 245 B8R0.1 CCCCC(C)SCF 62a_100015361967_200011215066 [0,0,1,0,0,0|3,0,0]=4 246 B8R0.1 CCCCC(C)SCF 62a_200011215066_100015361967 [0,0,1,0,0,0|3,0,0]=4 247 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [0,0,1,0,0,0|2,0,0]=3 248 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [0,0,1,0,0,0|2,0,0]=3 249 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [0,0,1,0,0,0|2,0,0]=3 250 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [0,0,1,0,0,0|2,0,0]=3 251 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [0,0,1,0,0,0|2,0,0]=3 252 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [0,0,1,0,0,0|2,0,0]=3 253 B8R0.1 CCCCN(C)CCF 2230a_100000207549_100011217306 [0,0,1,0,0,0|3,0,0]=4 254 B8R0.1 CCCCN(C)CCF 269982a_100000207549_100011217306 [0,0,1,0,0,0|3,0,0]=4 255 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [0,0,1,0,0,0|3,0,0]=4 256 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [0,0,1,0,0,0|3,0,0]=4 257 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [0,0,1,0,0,0|3,0,0]=4 258 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [0,0,1,0,0,0|3,0,0]=4 259 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [0,0,1,0,0,0|3,0,0]=4 260 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [0,0,1,0,0,0|3,0,0]=4 261 B8R0.1 CCCCN(C)COC 2230a_100000207549_100000766300 [0,0,1,0,0,0|3,0,0]=4 262 B8R0.1 CCCCN(C)COC 269982a_100000207549_100000766300 [0,0,1,0,0,0|3,0,0]=4 263 B8R0.1 CCCCN(C)CSC 2230a_100000207549_100011218213 [0,0,1,0,0,0|3,0,0]=4 264 B8R0.1 CCCCN(C)CSC 269982a_100000207549_100011218213 [0,0,1,0,0,0|3,0,0]=4 265 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [0,0,1,0,0,0|2,0,0]=3 266 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [0,0,1,0,0,0|2,0,0]=3 267 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [0,0,1,0,0,0|3,0,0]=4 268 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [0,0,1,0,0,0|3,0,0]=4 269 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [0,0,1,0,0,0|2,0,0]=3 270 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [0,0,1,0,0,0|2,0,0]=3 271 B8R0.1 CCCN(C)CCCF 2230a_100000747261_100011934791 [0,0,1,0,0,0|3,0,0]=4 272 B8R0.1 CCCN(C)CCCF 269982a_100000747261_100011934791 [0,0,1,0,0,0|3,0,0]=4 273 B8R0.1 CCCN(C)CCCO 2230a_100000213112_100000210303 [0,0,1,0,0,0|3,0,0]=4 274 B8R0.1 CCCN(C)CCCO 2230a_100000747261_100000230001 [0,0,1,0,0,0|3,0,0]=4 275 B8R0.1 CCCN(C)CCCO 269982a_100000213112_100000210303 [0,0,1,0,0,0|3,0,0]=4 276 B8R0.1 CCCN(C)CCCO 269982a_100000747261_100011215043 [0,0,1,0,0,0|3,0,0]=4 277 B8R0.1 CCCN(C)CCOC 2230a_100000743101_100000210303 [0,0,1,0,0,0|3,0,0]=4 278 B8R0.1 CCCN(C)CCOC 2230a_100000747261_100011201679 [0,0,1,0,0,0|3,0,0]=4 279 B8R0.1 CCCN(C)CCOC 2230a_200011192371_200000210301 [0,0,1,0,0,0|3,0,0]=4 280 B8R0.1 CCCN(C)CCOC 269982a_100000743101_100000210303 [0,0,1,0,0,0|3,0,0]=4 281 B8R0.1 CCCN(C)CCOC 269982a_100000747261_100000233755 [0,0,1,0,0,0|3,0,0]=4 282 B8R0.1 CCCN(C)CCOC 269982a_200011192371_200000210301 [0,0,1,0,0,0|3,0,0]=4 283 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [0,0,1,0,0,0|3,0,0]=4 284 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [0,0,1,0,0,0|3,0,0]=4 285 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [0,0,1,0,0,0|3,0,0]=4 286 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [0,0,1,0,0,0|3,0,0]=4 287 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [0,0,1,0,0,0|3,0,0]=4 288 B8R0.1 CCCN([13CH3])CCOC 2230a_200011192371_200025704644 [0,0,1,0,0,0|3,0,0]=4 289 B8R0.1 CCCN([13CH3])CCOC 269982a_200011192371_200025704644 [0,0,1,0,0,0|3,0,0]=4 290 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,0,1,0,0,0|1,0,2]=4 291 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,0,1,0,0,0|1,0,2]=4 292 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,0,1,0,0,0|1,0,2]=4 293 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,0,1,0,0,0|1,0,2]=4 294 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [0,0,1,0,0,0|2,0,0]=3 295 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [0,0,1,0,0,0|2,0,0]=3 296 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [0,0,1,0,0,0|3,0,0]=4 297 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [0,0,1,0,0,0|3,0,0]=4 298 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [0,0,1,0,0,0|3,0,0]=4 299 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [0,0,1,0,0,0|3,0,0]=4 300 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [0,0,1,0,0,0|3,0,0]=4 301 B8R0.1 CCCOC(C)CCBr 34a_100012276601_100000210303 [0,0,1,0,0,0|3,0,0]=4 302 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [0,0,1,0,0,0|2,0,0]=3 303 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [0,0,1,0,0,0|2,0,0]=3 304 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [0,0,1,0,0,0|2,0,0]=3 305 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [0,0,1,0,0,0|3,0,0]=4 306 B8R0.1 CCCOC(C)CNC 2230a_100015185124_200000210301 [0,0,1,0,0,0|3,0,0]=4 307 B8R0.1 CCCOC(C)CNC 34a_100015185124_200000210301 [0,0,1,0,0,0|3,0,0]=4 308 B8R0.1 CCCOC(C)CN[13CH3] 2230a_100015185124_200025704644 [0,0,1,0,0,0|3,0,0]=4 309 B8R0.1 CCCOC(C)CN[13CH3] 34a_100015185124_200025704644 [0,0,1,0,0,0|3,0,0]=4 310 B8R0.1 CCCOC(C)COC 34a_100000210258_100000765312 [0,0,1,0,0,0|3,0,0]=4 311 B8R0.1 CCCO[C@H](C)COC 34a_100011934205_100000210303 [0,0,1,0,0,0|3,0,0]=4 312 B8R0.1 CCCSC(C)CCC 62a_100000210303_100000766640 [0,0,1,0,0,0|2,0,0]=3 313 B8R0.1 CCCSC(C)CCC 62a_100000766640_100000210303 [0,0,1,0,0,0|2,0,0]=3 314 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [0,0,1,0,0,0|3,0,0]=4 315 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [0,0,1,0,0,0|3,0,0]=4 316 B8R0.1 CCCSC(C)COC 62a_100000210303_100000765312 [0,0,1,0,0,0|3,0,0]=4 317 B8R0.1 CCCSC(C)COC 62a_100000765312_100000210303 [0,0,1,0,0,0|3,0,0]=4 318 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [0,0,1,0,0,0|2,0,0]=3 319 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [0,0,1,0,0,0|2,0,0]=3 320 B8R0.1 CCC[C@H](N)COCC 34a_100000732646_100000210202 [0,0,1,0,0,0|2,0,0]=3 321 B8R0.1 CCC[C@H](N)COCF 34a_100000732646_100015361967 [0,0,1,0,0,0|3,0,0]=4 322 B8R0.1 CCNC(C)CCOC 270004a_100015525214_100000742357 [0,0,1,0,0,0|3,0,0]=4 323 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [0,0,1,0,0,0|3,0,0]=4 324 B8R0.1 CCNC(C)CSCC 270004a_100015525214_200011216171 [0,0,1,0,0,0|3,0,0]=4 325 B8R0.1 CCNCC(O)COC 2230a_100000756049_100000210202 [0,0,1,0,0,0|2,0,0]=3 326 B8R0.1 CCNCC(O)COC 34a_100000756049_100000210202 [0,0,1,0,0,0|2,0,0]=3 327 B8R0.1 CCNC[C@@H](O)CC#N 2230a_100015525214_100000001066 [0,0,1,0,0,0|2,0,1]=4 328 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [0,0,1,0,0,0|3,0,0]=4 329 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [0,0,1,0,0,0|3,0,0]=4 330 B8R0.1 CCOCC(C)CCN 34a_106354213184_100000210202 [0,0,1,0,0,0|3,0,0]=4 331 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [0,0,1,0,0,0|3,0,0]=4 332 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [0,0,1,0,0,0|3,0,0]=4 333 B8R0.1 CCOCC(N)COC 34a_100000724102_100000210202 [0,0,1,0,0,0|3,0,0]=4 334 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [0,0,1,0,0,0|2,0,0]=3 335 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [0,0,1,0,0,0|2,0,0]=3 336 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [0,0,1,0,0,0|2,0,0]=3 337 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [0,0,1,0,0,0|2,0,0]=3 338 B8R0.1 CCOCC(O)COC 34a_100121572206_100011215053 [0,0,1,0,0,0|2,0,0]=3 339 B8R0.1 CCSCC(O)COC 62a_100000210202_100011215053 [0,0,1,0,0,0|2,0,0]=3 340 B8R0.1 CCSCC(O)COC 62a_100011215053_100000210202 [0,0,1,0,0,0|2,0,0]=3 341 B8R0.1 CCSC[C@@H](O)CC#N 62a_100000001066_100000210202 [0,0,1,0,0,0|2,0,1]=4 342 B8R0.1 CCSC[C@@H](O)CC#N 62a_100000210202_100000001066 [0,0,1,0,0,0|2,0,1]=4 343 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [0,0,1,0,0,0|3,0,0]=4 344 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [0,0,1,0,0,0|3,0,0]=4 345 B8R0.1 COCC(O)CNCF 34a_100000756049_100015361967 [0,0,1,0,0,0|3,0,0]=4 346 B8R0.1 COCC(O)CSCF 62a_100011215053_100015361967 [0,0,1,0,0,0|3,0,0]=4 347 B8R0.1 COCC(O)CSCF 62a_100015361967_100011215053 [0,0,1,0,0,0|3,0,0]=4 348 B8R0.1 COC[C@@H](N)CCSC 34a_100011827619_200000210301 [0,0,1,0,0,0|3,0,0]=4 349 B8R0.1 CSCC[C@H](N)CO[13CH3] 34a_100011827619_200025704644 [0,0,1,0,0,0|3,0,0]=4 350 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [0,0,1,0,0,0|3,0,0]=4 351 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [0,0,1,0,0,0|3,0,0]=4 352 B8R0.3 C#CCN(C)C(C)CC 2230a_100000225692_100000758301 [0,0,1,0,0,0|2,0,1]=4 353 B8R0.3 C#CCN(C)C(C)CC 2230a_100000741768_100000038162 [0,0,1,0,0,0|2,0,1]=4 354 B8R0.3 C#CCN(C)C(C)CC 34a_100000225692_100011215416 [0,0,1,0,0,0|2,0,1]=4 355 B8R0.3 C=CC(C)N(C)CCO 269982a_100000210263_100011215867 [0,0,1,0,0,0|1,0,2]=4 356 B8R0.3 C=CCN(C)C(C)CC 2230a_100000225617_100000758301 [0,0,1,0,0,0|2,0,1]=4 357 B8R0.3 C=CCN(C)C(C)CC 2230a_100000741768_100000210623 [0,0,1,0,0,0|2,0,1]=4 358 B8R0.3 C=CCN(C)C(C)CC 269982a_100000225617_100000758301 [0,0,1,0,0,0|2,0,1]=4 359 B8R0.3 C=CCN(C)C(C)CC 269982a_100000741768_100000210623 [0,0,1,0,0,0|2,0,1]=4 360 B8R0.3 CC(C#N)N(C)CCO 2230a_100000210263_100000184139 [0,0,1,0,0,0|2,0,1]=4 361 B8R0.3 CC(C#N)N(C)CCO 269982a_100000210263_100000703298 [0,0,1,0,0,0|2,0,1]=4 362 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,0,1,0,0,0|2,0,1]=4 363 B8R0.3 CC(CCO)N(C)CF 269982a_100000731037_100015361967 [0,0,1,0,0,0|2,0,0]=3 364 B8R0.3 CC(CO)N(C)CCF 2230a_100000693034_100011217306 [0,0,1,0,0,0|3,0,0]=4 365 B8R0.3 CC(CO)N(C)CCF 269982a_100000693034_100011217306 [0,0,1,0,0,0|3,0,0]=4 366 B8R0.3 CC(CO)N(C)CCO 2230a_100000210263_100012180447 [0,0,1,0,0,0|2,0,0]=3 367 B8R0.3 CC(CO)N(C)CCO 2230a_100000693034_100000211926 [0,0,1,0,0,0|2,0,0]=3 368 B8R0.3 CC(CO)N(C)CCO 269982a_100000693034_100000211926 [0,0,1,0,0,0|2,0,0]=3 369 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,0,1,0,0,0|1,0,1]=3 370 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,0,1,0,0,0|2,0,1]=4 371 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,0,1,0,0,0|2,0,1]=4 372 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [0,0,1,0,0,0|2,0,1]=4 373 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,0,1,0,0,0|1,0,1]=3 374 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,0,1,0,0,0|1,0,1]=3 375 B8R0.3 CCC(C)C(C)OCF 7a_100011215189_100015361967 [0,0,1,0,0,0|2,0,0]=3 376 B8R0.3 CCC(C)N(C)CC#N 2230a_100000741768_100011215382 [0,0,1,0,0,0|2,0,1]=4 377 B8R0.3 CCC(C)N(C)CC#N 2230a_100000748184_100000758301 [0,0,1,0,0,0|2,0,1]=4 378 B8R0.3 CCC(C)N(C)CC#N 269982a_100000741768_100011214920 [0,0,1,0,0,0|2,0,1]=4 379 B8R0.3 CCC(C)N(C)CC=O 2230a_100000741768_200015260668 [0,0,1,0,0,0|1,0,2]=4 380 B8R0.3 CCC(C)N(C)CC=O 269982a_100000741768_200015260668 [0,0,1,0,0,0|1,0,2]=4 381 B8R0.3 CCC(C)N(C)CCF 2230a_100000741768_100011217306 [0,0,1,0,0,0|2,0,0]=3 382 B8R0.3 CCC(C)N(C)CCF 269982a_100000741768_100011217306 [0,0,1,0,0,0|2,0,0]=3 383 B8R0.3 CCC(C)N(C)CCO 2230a_100000210263_100000758301 [0,0,1,0,0,0|1,0,0]=2 384 B8R0.3 CCC(C)N(C)CCO 2230a_100000741768_100000211926 [0,0,1,0,0,0|1,0,0]=2 385 B8R0.3 CCC(C)N(C)CCO 269982a_100000210263_100000758301 [0,0,1,0,0,0|1,0,0]=2 386 B8R0.3 CCC(C)N(C)CCO 269982a_100000741768_100000211926 [0,0,1,0,0,0|1,0,0]=2 387 B8R0.3 CCC(C)N(C)COC 2230a_100000741768_100000766300 [0,0,1,0,0,0|3,0,0]=4 388 B8R0.3 CCC(C)N(C)COC 269982a_100000741768_100000766300 [0,0,1,0,0,0|3,0,0]=4 389 B8R0.3 CCC(C)N(C)CSC 2230a_100000741768_100011218213 [0,0,1,0,0,0|3,0,0]=4 390 B8R0.3 CCC(C)N(C)CSC 269982a_100000741768_100011218213 [0,0,1,0,0,0|3,0,0]=4 391 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,0,1,0,0,0|2,0,1]=4 392 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,0,1,0,0,0|2,0,1]=4 393 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,0,1,0,0,0|2,0,1]=4 394 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,0,1,0,0,0|2,0,1]=4 395 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,0,1,0,0,0|2,0,1]=4 396 B8R0.3 CCCC(C)C(C)NC 270004a_106832991635_100011216282 [0,0,1,0,0,0|2,0,0]=3 397 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [0,0,1,0,0,0|2,0,0]=3 398 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [0,0,1,0,0,0|2,0,0]=3 399 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [0,0,1,0,0,0|2,0,0]=3 400 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [0,0,1,0,0,0|2,0,0]=3 401 B8R0.3 CCCC(C)N(C)CC 2230a_100000225621_100000766640 [0,0,1,0,0,0|2,0,0]=3 402 B8R0.3 CCCC(C)N(C)CC 269982a_100000225621_100000766640 [0,0,1,0,0,0|2,0,0]=3 403 B8R0.3 CCCN(C)C(C)CC 2230a_100000741768_100000210303 [0,0,1,0,0,0|2,0,0]=3 404 B8R0.3 CCCN(C)C(C)CC 2230a_100000747261_100000758301 [0,0,1,0,0,0|2,0,0]=3 405 B8R0.3 CCCN(C)C(C)CC 2230a_200011216551_200000210301 [0,0,1,0,0,0|2,0,0]=3 406 B8R0.3 CCCN(C)C(C)CC 269982a_100000741768_100000210303 [0,0,1,0,0,0|2,0,0]=3 407 B8R0.3 CCCN(C)C(C)CC 269982a_100000747261_100000758301 [0,0,1,0,0,0|2,0,0]=3 408 B8R0.3 CCCN(C)C(C)CC 269982a_200011216551_200000210301 [0,0,1,0,0,0|2,0,0]=3 409 B8R0.3 CCCN(C)C(C)CO 2230a_100000693034_100000210303 [0,0,1,0,0,0|3,0,0]=4 410 B8R0.3 CCCN(C)C(C)CO 2230a_100000747261_100012180447 [0,0,1,0,0,0|3,0,0]=4 411 B8R0.3 CCCN(C)C(C)CO 2230a_100011303929_200000210301 [0,0,1,0,0,0|3,0,0]=4 412 B8R0.3 CCCN(C)C(C)CO 269982a_100000693034_100000210303 [0,0,1,0,0,0|3,0,0]=4 413 B8R0.3 CCCN(C)C(C)CO 269982a_100011303929_200000210301 [0,0,1,0,0,0|3,0,0]=4 414 B8R0.3 CCCN(C)C(C)OC 269982a_100000747261_100009879195 [0,0,1,0,0,0|3,0,0]=4 415 B8R0.3 CCCN(C)[C@H](C)CO 269982a_100000747261_100016084084 [0,0,1,0,0,0|3,0,0]=4 416 B8R0.3 CCCN([13CH3])C(C)CC 2230a_200011216551_200025704644 [0,0,1,0,0,0|2,0,0]=3 417 B8R0.3 CCCN([13CH3])C(C)CC 269982a_200011216551_200025704644 [0,0,1,0,0,0|2,0,0]=3 418 B8R0.3 CCCN([13CH3])C(C)CO 2230a_100011303929_200025704644 [0,0,1,0,0,0|3,0,0]=4 419 B8R0.3 CCCN([13CH3])C(C)CO 269982a_100011303929_200025704644 [0,0,1,0,0,0|3,0,0]=4 420 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [0,0,1,0,0,0|2,0,1]=4 421 B8R0.3 CCN(C)C(C)CC#N 2230a_100000225621_100009813641 [0,0,1,0,0,0|2,0,1]=4 422 B8R0.3 CCN(C)C(C)CC#N 269982a_100000225621_100009813641 [0,0,1,0,0,0|2,0,1]=4 423 B8R0.3 CCN(C)C(C)CCO 2230a_100000225621_100009893172 [0,0,1,0,0,0|1,0,0]=2 424 B8R0.3 CCN(C)C(C)CCO 2230a_100000731037_100000210202 [0,0,1,0,0,0|1,0,0]=2 425 B8R0.3 CCN(C)C(C)CCO 2230a_100011935059_200000210301 [0,0,1,0,0,0|1,0,0]=2 426 B8R0.3 CCN(C)C(C)CCO 269982a_100000225621_100009893172 [0,0,1,0,0,0|1,0,0]=2 427 B8R0.3 CCN(C)C(C)CCO 269982a_100000731037_100000204670 [0,0,1,0,0,0|1,0,0]=2 428 B8R0.3 CCN(C)C(C)CCO 269982a_100011935059_200000210301 [0,0,1,0,0,0|1,0,0]=2 429 B8R0.3 CCN(C)C(C)COC 2230a_100000225621_100000765312 [0,0,1,0,0,0|3,0,0]=4 430 B8R0.3 CCN(C)C(C)COC 269982a_100000225621_100000765312 [0,0,1,0,0,0|3,0,0]=4 431 B8R0.3 CCN(C)C(C)COC 7a_100000732741_200000210301 [0,0,1,0,0,0|3,0,0]=4 432 B8R0.3 CCN(C)C(C)CO[13CH3] 7a_100000732741_200025704644 [0,0,1,0,0,0|3,0,0]=4 433 B8R0.3 CCN([13CH3])C(C)CCO 2230a_100011935059_200025704644 [0,0,1,0,0,0|1,0,0]=2 434 B8R0.3 CCN([13CH3])C(C)CCO 269982a_100011935059_200025704644 [0,0,1,0,0,0|1,0,0]=2 435 B8R0.3 CCNC(C)C(C)CC 269862a_100015525214_100000210599 [0,0,1,0,0,0|2,0,0]=3 436 B8R0.3 CCNC(C)C(C)CC 270004a_100015525214_100000210599 [0,0,1,0,0,0|2,0,0]=3 437 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [0,0,1,0,0,0|2,0,0]=3 438 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [0,0,1,0,0,0|2,0,1]=4 439 B8R0.3 COC(C)N(C)CCO 269982a_100000210263_100009879195 [0,0,1,0,0,0|2,0,0]=3 440 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [0,0,1,0,0,0|2,0,1]=4 441 B8R0.3 C[C@H](CO)N(C)CCO 269982a_100000210263_100016084084 [0,0,1,0,0,0|2,0,0]=3 442 B8R0.8 C#CCCN(C)C(C)C 269982a_200000211004_100000730999 [0,0,1,0,0,0|2,0,1]=4 443 B8R0.8 C#CCNC(C)C(C)C 2230a_100000211541_100000038162 [0,0,1,0,0,0|2,0,1]=4 444 B8R0.8 C#CCOC(C)C(C)C 7a_100000748068_100000038162 [0,0,1,0,0,0|2,0,1]=4 445 B8R0.8 C=C(C)C(C)NCCO 269862a_100000210304_100011216138 [0,0,1,0,0,0|1,0,2]=4 446 B8R0.8 C=CCCC(C)N(C)C 270004a_100102631434_100000762624 [0,0,1,0,0,0|2,0,1]=4 447 B8R0.8 C=CCCN(C)C(C)C 2230a_100020639649_100000210206 [0,0,1,0,0,0|2,0,1]=4 448 B8R0.8 C=CCCN(C)C(C)C 269982a_100020639649_100000210206 [0,0,1,0,0,0|2,0,1]=4 449 B8R0.8 C=CCCN(C)C(C)C 269982a_200000211004_100000754431 [0,0,1,0,0,0|2,0,1]=4 450 B8R0.8 C=CCNC(C)C(C)C 2230a_100000211541_100000210623 [0,0,1,0,0,0|2,0,1]=4 451 B8R0.8 C=CCOC(C)C(C)C 7a_100000748068_100015514636 [0,0,1,0,0,0|2,0,1]=4 452 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,0,1,0,0,0|2,0,1]=4 453 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,0,1,0,0,0|2,0,1]=4 454 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,0,1,0,0,0|2,0,1]=4 455 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,0,1,0,0,0|2,0,1]=4 456 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,0,1,0,0,0|2,0,1]=4 457 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,0,1,0,0,0|2,0,1]=4 458 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,0,1,0,0,0|2,0,1]=4 459 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,0,1,0,0,0|1,0,1]=3 460 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [0,0,1,0,0,0|2,0,1]=4 461 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [0,0,1,0,0,0|2,0,1]=4 462 B8R0.8 CC(C)C(C)NCC#N 2230a_100000211541_100011215382 [0,0,1,0,0,0|2,0,1]=4 463 B8R0.8 CC(C)C(C)NCC=O 2230a_100000211541_200015260668 [0,0,1,0,0,0|1,0,2]=4 464 B8R0.8 CC(C)C(C)NCCF 2230a_100000211541_100011217306 [0,0,1,0,0,0|2,0,0]=3 465 B8R0.8 CC(C)C(C)NCCO 2230a_100000211541_100000211926 [0,0,1,0,0,0|1,0,0]=2 466 B8R0.8 CC(C)C(C)OCC#N 7a_100000748068_100011215382 [0,0,1,0,0,0|2,0,1]=4 467 B8R0.8 CC(C)C(C)OCC=O 7a_100000748068_200015260668 [0,0,1,0,0,0|1,0,2]=4 468 B8R0.8 CC(C)C(C)OCCF 7a_100000748068_100011217306 [0,0,1,0,0,0|2,0,0]=3 469 B8R0.8 CC(C)C(C)OCCO 7a_100000748068_100000211926 [0,0,1,0,0,0|1,0,0]=2 470 B8R0.8 CC(C)C(N)CCO[13CH3] 34a_100161115045_200025704644 [0,0,1,0,0,0|3,0,0]=4 471 B8R0.8 CC(C)C(O)CNCF 34a_100000759067_100015361967 [0,0,1,0,0,0|3,0,0]=4 472 B8R0.8 CC(C)N(C)CCC#N 2230a_100000184479_100000210206 [0,0,1,0,0,0|2,0,1]=4 473 B8R0.8 CC(C)N(C)CCC#N 269982a_200000211004_100011215226 [0,0,1,0,0,0|2,0,1]=4 474 B8R0.8 CC(C)N(C)CCCF 269982a_200000211004_100011934791 [0,0,1,0,0,0|2,0,0]=3 475 B8R0.8 CC(C)N(C)CCCO 2230a_100000182298_200000210301 [0,0,1,0,0,0|1,0,0]=2 476 B8R0.8 CC(C)N(C)CCCO 2230a_100000213112_100000210206 [0,0,1,0,0,0|1,0,0]=2 477 B8R0.8 CC(C)N(C)CCCO 269982a_100000182298_200000210301 [0,0,1,0,0,0|1,0,0]=2 478 B8R0.8 CC(C)N(C)CCCO 269982a_100000213112_100000210206 [0,0,1,0,0,0|1,0,0]=2 479 B8R0.8 CC(C)N(C)CCCO 269982a_200000211004_100011215043 [0,0,1,0,0,0|1,0,0]=2 480 B8R0.8 CC(C)N([13CH3])CCCO 2230a_100000182298_200025704644 [0,0,1,0,0,0|1,0,0]=2 481 B8R0.8 CC(C)N([13CH3])CCCO 269982a_100000182298_200025704644 [0,0,1,0,0,0|1,0,0]=2 482 B8R0.8 CC(C)[C@@H](N)COCF 34a_100011830312_100015361967 [0,0,1,0,0,0|3,0,0]=4 483 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,0,1,0,0,0|2,0,1]=4 484 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,0,1,0,0,0|2,0,1]=4 485 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,0,1,0,0,0|2,0,1]=4 486 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,0,1,0,0,0|2,0,1]=4 487 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,0,1,0,0,0|2,0,1]=4 488 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,0,1,0,0,0|2,0,1]=4 489 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [0,0,1,0,0,0|2,0,0]=3 490 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [0,0,1,0,0,0|2,0,0]=3 491 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [0,0,1,0,0,0|2,0,0]=3 492 B8R0.8 CCCCN(C)C(C)C 2230a_100000207398_200000210301 [0,0,1,0,0,0|2,0,0]=3 493 B8R0.8 CCCCN(C)C(C)C 2230a_100000207549_100000210206 [0,0,1,0,0,0|2,0,0]=3 494 B8R0.8 CCCCN(C)C(C)C 269982a_100000207398_200000210301 [0,0,1,0,0,0|2,0,0]=3 495 B8R0.8 CCCCN(C)C(C)C 269982a_100000207549_100000210206 [0,0,1,0,0,0|2,0,0]=3 496 B8R0.8 CCCCN(C)C(C)C 269982a_200000211004_100000210211 [0,0,1,0,0,0|2,0,0]=3 497 B8R0.8 CCCCN([13CH3])C(C)C 2230a_100000207398_200025704644 [0,0,1,0,0,0|2,0,0]=3 498 B8R0.8 CCCCN([13CH3])C(C)C 269982a_100000207398_200025704644 [0,0,1,0,0,0|2,0,0]=3 499 B8R0.8 CCCNC(C)C(C)C 2230a_100000211541_100000210303 [0,0,1,0,0,0|2,0,0]=3 500 B8R0.8 CCCOC(C)C(C)C 7a_100000748068_100000210303 [0,0,1,0,0,0|2,0,0]=3 501 B8R0.8 CCNCC(O)C(C)C 2230a_100000759067_100000210202 [0,0,1,0,0,0|3,0,0]=4 502 B8R0.8 CCNCC(O)C(C)C 34a_100000759067_100000210202 [0,0,1,0,0,0|3,0,0]=4 503 B8R0.8 CCOCN(C)C(C)C 269982a_200000211004_100000739092 [0,0,1,0,0,0|3,0,0]=4 504 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [0,0,1,0,0,0|3,0,0]=4 505 B8R0.8 CCSCC(C)N(C)C 270004a_100102631434_200011216171 [0,0,1,0,0,0|3,0,0]=4 506 B8R0.8 COCCC(C)N(C)C 270004a_100102631434_100000742357 [0,0,1,0,0,0|3,0,0]=4 507 B8R0.8 COCCC(N)C(C)C 34a_100161115045_200000210301 [0,0,1,0,0,0|3,0,0]=4 508 B8R0.8 COCCN(C)C(C)C 2230a_100000743101_100000210206 [0,0,1,0,0,0|3,0,0]=4 509 B8R0.8 COCCN(C)C(C)C 2230a_200000223778_200000210301 [0,0,1,0,0,0|3,0,0]=4 510 B8R0.8 COCCN(C)C(C)C 269982a_100000743101_100000210206 [0,0,1,0,0,0|3,0,0]=4 511 B8R0.8 COCCN(C)C(C)C 269982a_200000211004_100000233755 [0,0,1,0,0,0|3,0,0]=4 512 B8R0.8 COCCN(C)C(C)C 269982a_200000223778_200000210301 [0,0,1,0,0,0|3,0,0]=4 513 B8R0.8 COCCN([13CH3])C(C)C 2230a_200000223778_200025704644 [0,0,1,0,0,0|3,0,0]=4 514 B8R0.8 COCCN([13CH3])C(C)C 269982a_200000223778_200025704644 [0,0,1,0,0,0|3,0,0]=4 515 B8R0.8 COCNC(C)C(C)C 2230a_100000211541_100000766300 [0,0,1,0,0,0|3,0,0]=4 516 B8R0.8 CSCCC(C)N(C)C 270004a_100102631434_100011217047 [0,0,1,0,0,0|3,0,0]=4 517 B8R0.8 CSCCN(C)C(C)C 2230a_100000686725_100000210206 [0,0,1,0,0,0|3,0,0]=4 518 B8R0.8 CSCCN(C)C(C)C 269982a_100000686725_100000210206 [0,0,1,0,0,0|3,0,0]=4 519 B8R0.8 CSCCN(C)C(C)C 269982a_200000211004_100000212216 [0,0,1,0,0,0|3,0,0]=4 520 B8R0.8 CSCNC(C)C(C)C 2230a_100000211541_100011218213 [0,0,1,0,0,0|3,0,0]=4 521 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,0,1,0,0,0|2,0,1]=4 522 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,0,1,0,0,0|2,0,1]=4 523 B8R0.9 C#CC(C)NCC(C)O 2230a_100000707721_100011218427 [0,0,1,0,0,0|1,0,2]=4 524 B8R0.9 C#CC(C)NCC(C)O 34a_100000210904_200000035995 [0,0,1,0,0,0|1,0,2]=4 525 B8R0.9 C#CC(C)NCC(C)O 34a_100000707721_100011218427 [0,0,1,0,0,0|1,0,2]=4 526 B8R0.9 C#CC(C)NC[C@@H](C)O 2230a_100000707721_100009817552 [0,0,1,0,0,0|1,0,2]=4 527 B8R0.9 C#CC(C)NC[C@@H](C)O 34a_100000707721_100009817552 [0,0,1,0,0,0|1,0,2]=4 528 B8R0.9 C#CC(C)SCC(C)O 62a_200000035995_100011218427 [0,0,1,0,0,0|1,0,2]=4 529 B8R0.9 C#CC(C)SC[C@@H](C)O 62a_200000035995_100009817552 [0,0,1,0,0,0|1,0,2]=4 530 B8R0.9 C#C[C@@H](C)OCC(C)O 34a_100009815206_100011218427 [0,0,1,0,0,0|1,0,2]=4 531 B8R0.9 C#C[C@@H](C)OCC(C)O 7a_100009815206_100011218427 [0,0,1,0,0,0|1,0,2]=4 532 B8R0.9 C#C[C@@H](C)OC[C@@H](C)O 34a_100009815206_100009817552 [0,0,1,0,0,0|1,0,2]=4 533 B8R0.9 C#C[C@@H](C)OC[C@@H](C)O 7a_100009815206_100009817552 [0,0,1,0,0,0|1,0,2]=4 534 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [0,0,1,0,0,0|2,0,1]=4 535 B8R0.9 C=C(C)CCN(C)CC 2230a_100000225621_100000730704 [0,0,1,0,0,0|2,0,1]=4 536 B8R0.9 C=C(C)CCN(C)CC 269982a_100000225621_100000730704 [0,0,1,0,0,0|2,0,1]=4 537 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [0,0,1,0,0,0|2,0,1]=4 538 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [0,0,1,0,0,0|2,0,1]=4 539 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [0,0,1,0,0,0|2,0,1]=4 540 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [0,0,1,0,0,0|2,0,1]=4 541 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [0,0,1,0,0,0|2,0,1]=4 542 B8R0.9 C=CC(C)OCC(C)O 34a_100000695699_100011218427 [0,0,1,0,0,0|1,0,2]=4 543 B8R0.9 C=CC(C)OC[C@@H](C)O 34a_100000695699_100009817552 [0,0,1,0,0,0|1,0,2]=4 544 B8R0.9 C=CC(C)SCC(C)O 62a_100011215867_100011218427 [0,0,1,0,0,0|1,0,2]=4 545 B8R0.9 C=CC(C)SC[C@@H](C)O 62a_100011215867_100009817552 [0,0,1,0,0,0|1,0,2]=4 546 B8R0.9 CC(Br)COC(C)CO 34a_100012180447_100012180447 [0,0,1,0,0,0|3,0,0]=4 547 B8R0.9 CC(C#N)NC[C@@H](C)O 2230a_100000737613_100009817552 [0,0,1,0,0,0|2,0,1]=4 548 B8R0.9 CC(C#N)OC[C@@H](C)O 34a_100011218135_100009817552 [0,0,1,0,0,0|2,0,1]=4 549 B8R0.9 CC(C#N)SC[C@@H](C)O 62a_100000703298_100009817552 [0,0,1,0,0,0|2,0,1]=4 550 B8R0.9 CC(C#N)SC[C@@H](C)O 62a_100009817552_100000703298 [0,0,1,0,0,0|2,0,1]=4 551 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [0,0,1,0,0,0|2,0,0]=3 552 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,0,1,0,0,0|2,0,0]=3 553 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,0,1,0,0,0|2,0,0]=3 554 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,0,1,0,0,0|2,0,0]=3 555 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,0,1,0,0,0|2,0,0]=3 556 B8R0.9 CC(C)CCN(C)CF 269982a_100000742789_100015361967 [0,0,1,0,0,0|3,0,0]=4 557 B8R0.9 CC(C)CNC(C)CO 2230a_100000210953_100012180447 [0,0,1,0,0,0|3,0,0]=4 558 B8R0.9 CC(C)CNC(C)CO 34a_100000210953_100012180447 [0,0,1,0,0,0|3,0,0]=4 559 B8R0.9 CC(C)CN[C@H](C)CF 270004a_100102880703_100000210432 [0,0,1,0,0,0|3,0,0]=4 560 B8R0.9 CC(C)CN[C@H](C)CO 2230a_100000737577_100000210760 [0,0,1,0,0,0|3,0,0]=4 561 B8R0.9 CC(C)CN[C@H](C)CO 270004a_100000737577_100000210432 [0,0,1,0,0,0|3,0,0]=4 562 B8R0.9 CC(C)COC(C)CF 34a_100016041109_100000210624 [0,0,1,0,0,0|3,0,0]=4 563 B8R0.9 CC(C)COC(C)CF 7a_100016041109_100000210760 [0,0,1,0,0,0|3,0,0]=4 564 B8R0.9 CC(C)COC(C)CN 34a_100000210904_100000210624 [0,0,1,0,0,0|3,0,0]=4 565 B8R0.9 CC(C)COC(C)CO 34a_100000210257_100012180447 [0,0,1,0,0,0|3,0,0]=4 566 B8R0.9 CC(C)CSC(C)CO 62a_100012180447_100000210760 [0,0,1,0,0,0|3,0,0]=4 567 B8R0.9 CC(C)CS[C@H](C)CO 62a_100000210624_100016084084 [0,0,1,0,0,0|3,0,0]=4 568 B8R0.9 CC(C)CS[C@H](C)CO 62a_100016084084_100000210760 [0,0,1,0,0,0|3,0,0]=4 569 B8R0.9 CC(C)NC[C@@H](C)CO 2230a_100138425928_100000059175 [0,0,1,0,0,0|3,0,0]=4 570 B8R0.9 CC(C)NC[C@@H](C)CO 34a_100138425928_100000059175 [0,0,1,0,0,0|3,0,0]=4 571 B8R0.9 CC(C)OC[C@@H](C)CO 34a_100000212225_100000059175 [0,0,1,0,0,0|3,0,0]=4 572 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000059175_100000210206 [0,0,1,0,0,0|3,0,0]=4 573 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000210206_100000059175 [0,0,1,0,0,0|3,0,0]=4 574 B8R0.9 CC(CF)OC[C@@H](C)O 34a_100016041109_100009817552 [0,0,1,0,0,0|2,0,0]=3 575 B8R0.9 CC(CF)OC[C@@H](C)O 7a_100016041109_100009817552 [0,0,1,0,0,0|2,0,0]=3 576 B8R0.9 CC(CN)COC(C)C 34a_100000744482_100000210206 [0,0,1,0,0,0|3,0,0]=4 577 B8R0.9 CC(CN)OC[C@@H](C)O 34a_100000210904_100009817552 [0,0,1,0,0,0|2,0,0]=3 578 B8R0.9 CC(CO)CNC(C)C 34a_100000744482_100000210206 [0,0,1,0,0,0|3,0,0]=4 579 B8R0.9 CC(CO)OC[C@@H](C)Cl 34a_100016084084_100012180447 [0,0,1,0,0,0|3,0,0]=4 580 B8R0.9 CC(CO)OC[C@@H](C)N 34a_100000737577_100012180447 [0,0,1,0,0,0|3,0,0]=4 581 B8R0.9 CC(CO)SC[C@@H](C)O 62a_100012180447_100009817552 [0,0,1,0,0,0|2,0,0]=3 582 B8R0.9 CC(F)COC(C)CO 34a_100015925927_100012180447 [0,0,1,0,0,0|3,0,0]=4 583 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,0,1,0,0,0|2,0,1]=4 584 B8R0.9 CC(O)CNC(C)C#N 2230a_100000210904_100000184139 [0,0,1,0,0,0|2,0,1]=4 585 B8R0.9 CC(O)CNC(C)C#N 2230a_100000737613_100011218427 [0,0,1,0,0,0|2,0,1]=4 586 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [0,0,1,0,0,0|2,0,0]=3 587 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [0,0,1,0,0,0|2,0,0]=3 588 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [0,0,1,0,0,0|2,0,0]=3 589 B8R0.9 CC(O)COC(C)C#N 34a_100011218135_100011218427 [0,0,1,0,0,0|2,0,1]=4 590 B8R0.9 CC(O)COC(C)CF 34a_100016041109_100011218427 [0,0,1,0,0,0|2,0,0]=3 591 B8R0.9 CC(O)COC(C)CF 7a_100016041109_100011218427 [0,0,1,0,0,0|2,0,0]=3 592 B8R0.9 CC(O)COC(C)CN 34a_100000210904_100011218427 [0,0,1,0,0,0|2,0,0]=3 593 B8R0.9 CC(O)CSC(C)C#N 62a_100000703298_100011218427 [0,0,1,0,0,0|2,0,1]=4 594 B8R0.9 CC(O)CSC(C)C#N 62a_100011218427_100000703298 [0,0,1,0,0,0|2,0,1]=4 595 B8R0.9 CC(O)CSC(C)CO 62a_100012180447_100011218427 [0,0,1,0,0,0|2,0,0]=3 596 B8R0.9 CC(O)CS[C@H](C)CO 62a_100011218427_100016084084 [0,0,1,0,0,0|2,0,0]=3 597 B8R0.9 CC(O)CS[C@H](C)CO 62a_100016084084_100011218427 [0,0,1,0,0,0|2,0,0]=3 598 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,0,1,0,0,0|2,0,1]=4 599 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,0,1,0,0,0|2,0,1]=4 600 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,0,1,0,0,0|1,0,1]=3 601 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,0,1,0,0,0|2,0,1]=4 602 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,0,1,0,0,0|2,0,1]=4 603 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,0,1,0,0,0|2,0,1]=4 604 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,0,1,0,0,0|0,0,2]=3 605 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,0,1,0,0,0|0,0,2]=3 606 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,0,1,0,0,0|1,0,2]=4 607 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,0,1,0,0,0|1,0,2]=4 608 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,0,1,0,0,0|1,0,2]=4 609 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,0,1,0,0,0|1,0,2]=4 610 B8R0.9 CCC(C)CNC(C)C 2230a_100020588543_100000210206 [0,0,1,0,0,0|2,0,0]=3 611 B8R0.9 CCC(C)CNC(C)C 2230a_100138425928_100000748023 [0,0,1,0,0,0|2,0,0]=3 612 B8R0.9 CCC(C)CNC(C)C 34a_100138425928_100000748023 [0,0,1,0,0,0|2,0,0]=3 613 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [0,0,1,0,0,0|2,0,0]=3 614 B8R0.9 CCC(C)CSC(C)C 62a_100000210206_100000748023 [0,0,1,0,0,0|2,0,0]=3 615 B8R0.9 CCC(C)CSC(C)C 62a_100000748023_100000210206 [0,0,1,0,0,0|2,0,0]=3 616 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,0,1,0,0,0|2,0,1]=4 617 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [0,0,1,0,0,0|2,0,0]=3 618 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [0,0,1,0,0,0|2,0,0]=3 619 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [0,0,1,0,0,0|2,0,0]=3 620 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [0,0,1,0,0,0|2,0,0]=3 621 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [0,0,1,0,0,0|1,0,0]=2 622 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [0,0,1,0,0,0|1,0,0]=2 623 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [0,0,1,0,0,0|1,0,0]=2 624 B8R0.9 CCC(C)NCC(F)F 2230a_100000209981_100011934356 [0,0,1,0,0,0|3,0,0]=4 625 B8R0.9 CCC(C)NCC(F)F 34a_100000765723_100011215416 [0,0,1,0,0,0|3,0,0]=4 626 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [0,0,1,0,0,0|1,0,0]=2 627 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,0,1,0,0,0|1,0,2]=4 628 B8R0.9 CCC(C)OCC(C)Br 34a_100012180447_100011215416 [0,0,1,0,0,0|2,0,0]=3 629 B8R0.9 CCC(C)OCC(C)C 34a_100000210257_100011215416 [0,0,1,0,0,0|2,0,0]=3 630 B8R0.9 CCC(C)OCC(C)C 7a_100000210228_100000210760 [0,0,1,0,0,0|2,0,0]=3 631 B8R0.9 CCC(C)OCC(C)F 34a_100015925927_100011215416 [0,0,1,0,0,0|2,0,0]=3 632 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,0,1,0,0,0|1,0,0]=2 633 B8R0.9 CCC(C)OCC(F)F 34a_100000743014_100011215416 [0,0,1,0,0,0|3,0,0]=4 634 B8R0.9 CCC(C)OCC(F)F 7a_100000210228_100011934356 [0,0,1,0,0,0|3,0,0]=4 635 B8R0.9 CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215416 [0,0,1,0,0,0|2,0,0]=3 636 B8R0.9 CCC(C)OC[C@@H](C)N 34a_100000737577_100011215416 [0,0,1,0,0,0|2,0,0]=3 637 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,0,1,0,0,0|1,0,0]=2 638 B8R0.9 CCC(C)SCC(C)C 62a_100000210624_100000758301 [0,0,1,0,0,0|2,0,0]=3 639 B8R0.9 CCC(C)SCC(C)C 62a_100000758301_100000210760 [0,0,1,0,0,0|2,0,0]=3 640 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [0,0,1,0,0,0|1,0,0]=2 641 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [0,0,1,0,0,0|1,0,0]=2 642 B8R0.9 CCC(C)SCC(F)F 62a_100000758301_100011934356 [0,0,1,0,0,0|3,0,0]=4 643 B8R0.9 CCC(C)SCC(F)F 62a_100011934356_100000758301 [0,0,1,0,0,0|3,0,0]=4 644 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [0,0,1,0,0,0|1,0,0]=2 645 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [0,0,1,0,0,0|1,0,0]=2 646 B8R0.9 CCC(O)CNC(C)C 2230a_100011218483_100000210206 [0,0,1,0,0,0|3,0,0]=4 647 B8R0.9 CCC(O)CNC(C)C 2230a_100138425928_100011218378 [0,0,1,0,0,0|3,0,0]=4 648 B8R0.9 CCC(O)CNC(C)C 34a_100138425928_100011218378 [0,0,1,0,0,0|3,0,0]=4 649 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [0,0,1,0,0,0|3,0,0]=4 650 B8R0.9 CCC(O)CSC(C)C 62a_100000210206_100011218378 [0,0,1,0,0,0|3,0,0]=4 651 B8R0.9 CCC(O)CSC(C)C 62a_100011218378_100000210206 [0,0,1,0,0,0|3,0,0]=4 652 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,0,1,0,0,0|1,0,2]=4 653 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,0,1,0,0,0|1,0,2]=4 654 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,0,1,0,0,0|1,0,2]=4 655 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [0,0,1,0,0,0|2,0,0]=3 656 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [0,0,1,0,0,0|2,0,0]=3 657 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [0,0,1,0,0,0|2,0,0]=3 658 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [0,0,1,0,0,0|2,0,0]=3 659 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [0,0,1,0,0,0|2,0,0]=3 660 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [0,0,1,0,0,0|2,0,0]=3 661 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [0,0,1,0,0,0|1,0,0]=2 662 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [0,0,1,0,0,0|1,0,0]=2 663 B8R0.9 CCN(C)CCN(C)C 269982a_100000225618_100000204670 [0,0,1,0,0,0|3,0,0]=4 664 B8R0.9 CCN(C)CCN(C)C 269982a_100000225621_100000755713 [0,0,1,0,0,0|3,0,0]=4 665 B8R0.9 CCN(C)CCN(C)C 269982a_100000225870_200000210301 [0,0,1,0,0,0|3,0,0]=4 666 B8R0.9 CCN(C)COC(C)C 2230a_100000225621_100000709892 [0,0,1,0,0,0|3,0,0]=4 667 B8R0.9 CCN(C)COC(C)C 269982a_100000225621_100000709892 [0,0,1,0,0,0|3,0,0]=4 668 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [0,0,1,0,0,0|2,0,0]=3 669 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [0,0,1,0,0,0|2,0,0]=3 670 B8R0.9 CCN([13CH3])CCN(C)C 269982a_100000225870_200025704644 [0,0,1,0,0,0|3,0,0]=4 671 B8R0.9 CC[C@H](C)CNC(C)C 2230a_100138425928_100009816398 [0,0,1,0,0,0|2,0,0]=3 672 B8R0.9 CC[C@H](C)CNC(C)C 34a_100138425928_100009816398 [0,0,1,0,0,0|2,0,0]=3 673 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [0,0,1,0,0,0|2,0,0]=3 674 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [0,0,1,0,0,0|2,0,0]=3 675 B8R0.9 CC[C@H](C)CSC(C)C 62a_100000210206_100009816398 [0,0,1,0,0,0|2,0,0]=3 676 B8R0.9 CC[C@H](C)CSC(C)C 62a_100009816398_100000210206 [0,0,1,0,0,0|2,0,0]=3 677 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,0,1,0,0,0|2,0,1]=4 678 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [0,0,1,0,0,0|2,0,0]=3 679 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [0,0,1,0,0,0|2,0,0]=3 680 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [0,0,1,0,0,0|2,0,0]=3 681 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [0,0,1,0,0,0|2,0,0]=3 682 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,0,1,0,0,0|2,0,0]=3 683 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,0,1,0,0,0|2,0,0]=3 684 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,0,1,0,0,0|2,0,0]=3 685 B8R0.9 COC(C)COC(C)C 34a_100000690652_100000210206 [0,0,1,0,0,0|3,0,0]=4 686 B8R0.9 COC(C)SCC(C)C 62a_100000210624_100009879195 [0,0,1,0,0,0|3,0,0]=4 687 B8R0.9 COC(C)SCC(C)C 62a_100009879195_100000210760 [0,0,1,0,0,0|3,0,0]=4 688 B8R0.9 COC(C)SCC(C)O 62a_100009879195_100011218427 [0,0,1,0,0,0|2,0,0]=3 689 B8R0.9 COC(C)SCC(C)O 62a_100011218427_100009879195 [0,0,1,0,0,0|2,0,0]=3 690 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009817552_100009879195 [0,0,1,0,0,0|2,0,0]=3 691 B8R0.9 COC(C)SC[C@@H](C)O 62a_100009879195_100009817552 [0,0,1,0,0,0|2,0,0]=3 692 B8R0.9 CO[C@H](C)CNC(C)C 2230a_100020591295_100000210206 [0,0,1,0,0,0|3,0,0]=4 693 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,0,1,0,0,0|2,0,0]=3 694 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,0,1,0,0,0|2,0,0]=3 695 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [0,0,1,0,0,0|2,0,0]=3 696 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100009817552_100016084084 [0,0,1,0,0,0|2,0,0]=3 697 B8R0.9 C[C@H](CO)SC[C@@H](C)O 62a_100016084084_100009817552 [0,0,1,0,0,0|2,0,0]=3 698 B8R0.19 C=CC(O)CN(C)CC 2230a_100000225621_100000730141 [0,0,1,0,0,0|1,0,2]=4 699 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,0,1,0,0,0|0,0,2]=3 700 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,0,1,0,0,0|0,0,2]=3 701 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,0,1,0,0,0|1,0,1]=3 702 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,0,1,0,0,0|1,0,1]=3 703 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,0,1,0,0,0|1,0,2]=4 704 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,0,1,0,0,0|1,0,2]=4 705 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,0,1,0,0,0|0,0,2]=3 706 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,0,1,0,0,0|1,0,2]=4 707 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,0,1,0,0,0|1,0,2]=4 708 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,0,1,0,0,0|1,0,2]=4 709 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,0,1,0,0,0|1,0,2]=4 710 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,0,1,0,0,0|1,0,2]=4 711 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,0,1,0,0,0|1,0,2]=4 712 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,0,1,0,0,0|1,0,2]=4 713 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,0,1,0,0,0|1,0,2]=4 714 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,0,1,0,0,0|1,0,2]=4 715 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,0,1,0,0,0|1,0,2]=4 716 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,0,1,0,0,0|1,0,2]=4 717 B8R0.19 CCC(C)CC(C)NC 2230a_100000763565_200000210301 [0,0,1,0,0,0|2,0,0]=3 718 B8R0.19 CCC(C)CC(C)NC 270004a_106832991635_100011710205 [0,0,1,0,0,0|2,0,0]=3 719 B8R0.19 CCC(C)CC(C)N[13CH3] 2230a_100000763565_200025704644 [0,0,1,0,0,0|2,0,0]=3 720 B8R0.19 CCC(C)CN(C)CC 2230a_100000225621_100000748023 [0,0,1,0,0,0|2,0,0]=3 721 B8R0.19 CCC(C)CN(C)CC 2230a_100000753921_100000210202 [0,0,1,0,0,0|2,0,0]=3 722 B8R0.19 CCC(C)CN(C)CC 269982a_100000225621_100000748023 [0,0,1,0,0,0|2,0,0]=3 723 B8R0.19 CCC(C)CN(C)CC 269982a_100000753921_100000204670 [0,0,1,0,0,0|2,0,0]=3 724 B8R0.19 CCC(C)CN(C)CF 269982a_100000753921_100015361967 [0,0,1,0,0,0|3,0,0]=4 725 B8R0.19 CCC(C)NC(C)CC 2230a_100000209981_100000758301 [0,0,1,0,0,0|2,0,0]=3 726 B8R0.19 CCC(C)NC(C)CO 2230a_100000209981_100012180447 [0,0,1,0,0,0|3,0,0]=4 727 B8R0.19 CCC(C)N[C@H](C)CO 2230a_100000737577_100000758301 [0,0,1,0,0,0|3,0,0]=4 728 B8R0.19 CCC(C)OC(C)CC 7a_100000210228_100000758301 [0,0,1,0,0,0|2,0,0]=3 729 B8R0.19 CCC(C)OC(C)CF 34a_100016041109_100011215416 [0,0,1,0,0,0|3,0,0]=4 730 B8R0.19 CCC(C)OC(C)CF 7a_100016041109_100000758301 [0,0,1,0,0,0|3,0,0]=4 731 B8R0.19 CCC(C)OC(C)CN 34a_100000210904_100011215416 [0,0,1,0,0,0|3,0,0]=4 732 B8R0.19 CCC(C)OC(C)CO 7a_100000210228_100012180447 [0,0,1,0,0,0|3,0,0]=4 733 B8R0.19 CCC(C)SC(C)CC 62a_100000758301_100000758301 [0,0,1,0,0,0|2,0,0]=3 734 B8R0.19 CCC(C)SC(C)CO 62a_100012180447_100000758301 [0,0,1,0,0,0|3,0,0]=4 735 B8R0.19 CCC(C)SC(C)OC 62a_100000758301_100009879195 [0,0,1,0,0,0|3,0,0]=4 736 B8R0.19 CCC(C)SC(C)OC 62a_100009879195_100000758301 [0,0,1,0,0,0|3,0,0]=4 737 B8R0.19 CCC(C)S[C@H](C)CO 62a_100000758301_100016084084 [0,0,1,0,0,0|3,0,0]=4 738 B8R0.19 CCC(C)S[C@H](C)CO 62a_100016084084_100000758301 [0,0,1,0,0,0|3,0,0]=4 739 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,0,1,0,0,0|2,0,1]=4 740 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,0,1,0,0,0|2,0,1]=4 741 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,0,1,0,0,0|2,0,1]=4 742 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,0,1,0,0,0|2,0,1]=4 743 B8R0.19 CCC(O)CN(C)CC 2230a_100000225621_100011218378 [0,0,1,0,0,0|1,0,0]=2 744 B8R0.19 CCC(O)CN(C)CC 2230a_100011365200_200000210301 [0,0,1,0,0,0|1,0,0]=2 745 B8R0.19 CCC(O)CN(C)CC 269982a_100000225621_100011218378 [0,0,1,0,0,0|1,0,0]=2 746 B8R0.19 CCC(O)CN(C)CC 269982a_100011365200_200000210301 [0,0,1,0,0,0|1,0,0]=2 747 B8R0.19 CCC(O)CN([13CH3])CC 2230a_100011365200_200025704644 [0,0,1,0,0,0|1,0,0]=2 748 B8R0.19 CCC(O)CN([13CH3])CC 269982a_100011365200_200025704644 [0,0,1,0,0,0|1,0,0]=2 749 B8R0.19 CCN(C)CC(O)CO 2230a_100000225621_100011219619 [0,0,1,0,0,0|2,0,0]=3 750 B8R0.19 CCN(C)CC(O)CO 2230a_100011216503_100000210202 [0,0,1,0,0,0|2,0,0]=3 751 B8R0.19 CCN(C)CC(O)CO 269982a_100011216503_100000204670 [0,0,1,0,0,0|2,0,0]=3 752 B8R0.19 CCN(C)C[C@@H](C)CO 2230a_100000225621_100000059175 [0,0,1,0,0,0|3,0,0]=4 753 B8R0.19 CCN(C)C[C@@H](C)CO 269982a_100000225621_100000059175 [0,0,1,0,0,0|3,0,0]=4 754 B8R0.19 CCN(C)C[C@@H](O)CF 2230a_100000225621_100015614560 [0,0,1,0,0,0|2,0,0]=3 755 B8R0.19 CCN(C)C[C@@H](O)CO 2230a_100000225621_100009815848 [0,0,1,0,0,0|2,0,0]=3 756 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,0,1,0,0,0|1,0,2]=4 757 B8R0.19 CC[C@H](C)CN(C)CC 2230a_100000225621_100009816398 [0,0,1,0,0,0|2,0,0]=3 758 B8R0.19 CC[C@H](C)CN(C)CC 269982a_100000225621_100009816398 [0,0,1,0,0,0|2,0,0]=3 759 B8R0.19 CN(CF)CC(O)CO 269982a_100011216503_100015361967 [0,0,1,0,0,0|3,0,0]=4 760 B8R0.23 C=C(C)CN(C)C(C)C 2230a_100000225649_100000210206 [0,0,1,0,0,0|2,0,1]=4 761 B8R0.23 C=C(C)CN(C)C(C)C 269982a_100000225649_100000210206 [0,0,1,0,0,0|2,0,1]=4 762 B8R0.23 C=C(C)CN(C)C(C)C 269982a_200000211004_100000748629 [0,0,1,0,0,0|2,0,1]=4 763 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,0,1,0,0,0|2,0,1]=4 764 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,0,1,0,0,0|1,0,2]=4 765 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,0,1,0,0,0|1,0,2]=4 766 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [0,0,1,0,0,0|2,0,1]=4 767 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [0,0,1,0,0,0|2,0,1]=4 768 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,0,1,0,0,0|1,0,2]=4 769 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,0,1,0,0,0|1,0,2]=4 770 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,0,1,0,0,0|1,0,2]=4 771 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,0,1,0,0,0|1,0,2]=4 772 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,0,1,0,0,0|1,0,1]=3 773 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [0,0,1,0,0,0|2,0,1]=4 774 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [0,0,1,0,0,0|2,0,1]=4 775 B8R0.23 CC(C)CC(C)N(C)C 2230a_100000745462_200000210301 [0,0,1,0,0,0|2,0,0]=3 776 B8R0.23 CC(C)CC(C)N(C)C 2230a_100102631434_100000731052 [0,0,1,0,0,0|2,0,0]=3 777 B8R0.23 CC(C)CC(C)N(C)C 269982a_100000745462_200000210301 [0,0,1,0,0,0|2,0,0]=3 778 B8R0.23 CC(C)CC(C)N(C)C 269982a_100102631434_100000731052 [0,0,1,0,0,0|2,0,0]=3 779 B8R0.23 CC(C)CC(C)N(C)[13CH3] 2230a_100000745462_200025704644 [0,0,1,0,0,0|2,0,0]=3 780 B8R0.23 CC(C)CC(C)N(C)[13CH3] 269982a_100000745462_200025704644 [0,0,1,0,0,0|2,0,0]=3 781 B8R0.23 CC(C)CN(C)C(C)C 2230a_100000737641_200000210301 [0,0,1,0,0,0|2,0,0]=3 782 B8R0.23 CC(C)CN(C)C(C)C 2230a_100000747067_100000210206 [0,0,1,0,0,0|2,0,0]=3 783 B8R0.23 CC(C)CN(C)C(C)C 269982a_100000737641_200000210301 [0,0,1,0,0,0|2,0,0]=3 784 B8R0.23 CC(C)CN(C)C(C)C 269982a_100000747067_100000210206 [0,0,1,0,0,0|2,0,0]=3 785 B8R0.23 CC(C)CN(C)C(C)C 269982a_200000211004_100000210624 [0,0,1,0,0,0|2,0,0]=3 786 B8R0.23 CC(C)CN(C)C(C)C 270004a_200000211004_100000210432 [0,0,1,0,0,0|2,0,0]=3 787 B8R0.23 CC(C)CN([13CH3])C(C)C 2230a_100000737641_200025704644 [0,0,1,0,0,0|2,0,0]=3 788 B8R0.23 CC(C)CN([13CH3])C(C)C 269982a_100000737641_200025704644 [0,0,1,0,0,0|2,0,0]=3 789 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,0,1,0,0,0|2,0,1]=4 790 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,0,1,0,0,0|1,0,2]=4 791 B8R0.23 CC(C)N(C)CC(F)F 269982a_200000211004_100011934356 [0,0,1,0,0,0|3,0,0]=4 792 B8R0.23 CC(C)N(C)C[C@@H](C)O 269982a_200000211004_100009817552 [0,0,1,0,0,0|1,0,0]=2 793 B8R0.23 CC(C)NC(C)C(C)C 2230a_100000211541_100000210206 [0,0,1,0,0,0|2,0,0]=3 794 B8R0.23 CC(C)OC(C)C(C)C 7a_100000748068_100000210206 [0,0,1,0,0,0|2,0,0]=3 795 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,0,1,0,0,0|1,0,2]=4 796 B8R0.23 CC(CN(C)C)N(C)C 269982a_100102631434_100020606517 [0,0,1,0,0,0|3,0,0]=4 797 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,0,1,0,0,0|1,0,1]=3 798 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [0,0,1,0,0,0|2,0,1]=4 799 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [0,0,1,0,0,0|2,0,1]=4 800 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [0,0,1,0,0,0|2,0,1]=4 801 B8R0.23 CC(O)CN(C)C(C)C 2230a_100000227577_100000210206 [0,0,1,0,0,0|1,0,0]=2 802 B8R0.23 CC(O)CN(C)C(C)C 269982a_100000227577_100000210206 [0,0,1,0,0,0|1,0,0]=2 803 B8R0.23 CC(O)CN(C)C(C)C 269982a_200000211004_100011218427 [0,0,1,0,0,0|1,0,0]=2 804 B8R0.23 C[C@@H](O)CC(=O)N(C)C 240690a_100102631434_100011933948 [0,0,1,0,0,0|2,0,1]=4 805 B10R2.60 CN1C[C@@H]2C[C@H]1CN2C 2230a_100025763010_200000210301 [0,0,0,1,0,0|3,0,0]=4 806 B10R2.60 CN1C[C@@H]2C[C@H]1CN2C 269982a_100025763010_200000210301 [0,0,0,1,0,0|3,0,0]=4 807 B10R2.60 CN1C[C@@H]2C[C@H]1CN2[13CH3] 2230a_100025763010_200025704644 [0,0,0,1,0,0|3,0,0]=4 808 B10R2.60 CN1C[C@@H]2C[C@H]1CN2[13CH3] 269982a_100025763010_200025704644 [0,0,0,1,0,0|3,0,0]=4 809 B10R2.62 CN1CC2CCC1CC2 2230a_100000750499_200000210301 [0,0,0,1,0,0|2,0,0]=3 810 B10R2.62 CN1CC2CCC1CC2 269982a_100000750499_200000210301 [0,0,0,1,0,0|2,0,0]=3 811 B10R2.62 CN1CC2CCC1CC2 34a_100000750499_200000210301 [0,0,0,1,0,0|2,0,0]=3 812 B10R2.62 [13CH3]N1CC2CCC1CC2 2230a_100000750499_200025704644 [0,0,0,1,0,0|2,0,0]=3 813 B10R2.62 [13CH3]N1CC2CCC1CC2 269982a_100000750499_200025704644 [0,0,0,1,0,0|2,0,0]=3 814 B10R2.62 [13CH3]N1CC2CCC1CC2 34a_100000750499_200025704644 [0,0,0,1,0,0|2,0,0]=3 815 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 2230a_200015306588_200000210301 [0,0,0,0,1,0|3,0,0]=4 816 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 269982a_200015306588_200000210301 [0,0,0,0,1,0|3,0,0]=4 817 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 2230a_200015306588_200025704644 [0,0,0,0,1,0|3,0,0]=4 818 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 269982a_200015306588_200025704644 [0,0,0,0,1,0|3,0,0]=4 819 B8R1.50 CC1CCC(N1C)C 2230a_100000687148_200000210301 [0,0,0,0,1,0|2,0,0]=3 820 B8R1.50 CC1CCC(N1C)C 269982a_100000687148_200000210301 [0,0,0,0,1,0|2,0,0]=3 821 B8R1.50 CC1CCC(N1C)C 34a_100000687148_200000210301 [0,0,0,0,1,0|2,0,0]=3 822 B8R1.50 CC1CCC(N1[13CH3])C 2230a_100000687148_200025704644 [0,0,0,0,1,0|2,0,0]=3 823 B8R1.50 CC1CCC(N1[13CH3])C 269982a_100000687148_200025704644 [0,0,0,0,1,0|2,0,0]=3 824 B8R1.50 CC1CCC(N1[13CH3])C 34a_100000687148_200025704644 [0,0,0,0,1,0|2,0,0]=3 825 B10R1.277 CC1CN(CCCN1C)C 269982a_100011935175_200000210301 [0,0,0,0,0,1|3,0,0]=4 826 B10R1.277 CC1CN(CCCN1[13CH3])C 269982a_100011935175_200025704644 [0,0,0,0,0,1|3,0,0]=4 827 B10R1.332 C[C@H]1CNC(=O)CCN1C 2230a_102125656889_200000210301 [0,0,0,0,0,1|1,0,2]=4 828 B10R1.332 C[C@H]1CNC(=O)CCN1C 269982a_102125656889_200000210301 [0,0,0,0,0,1|1,0,2]=4 829 B10R1.332 C[C@H]1CNC(=O)CCN1C 34a_102125656889_200000210301 [0,0,0,0,0,1|1,0,2]=4 830 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 2230a_102125656889_200025704644 [0,0,0,0,0,1|1,0,2]=4 831 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 269982a_102125656889_200025704644 [0,0,0,0,0,1|1,0,2]=4 832 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 34a_102125656889_200025704644 [0,0,0,0,0,1|1,0,2]=4 833 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,1,0,0,0|1,0,0]=3 834 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,1,0,0,0|1,0,0]=3 835 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,1,0,0,0|1,0,0]=3 836 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,1,0,0,0|1,0,0]=3 837 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,1,0,0,0|1,0,0]=3 838 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,1,0,0,0|1,0,0]=3 839 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,1,0,0,0|1,0,0]=3 840 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,1,0,0,0|1,0,0]=3 841 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,1,0,0,0|1,0,0]=3 842 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,1,0,0,0|1,0,0]=3 843 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,1,0,0,0|1,0,0]=3 844 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,1,0,0,0|1,0,0]=3 845 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,1,0,0,0|1,0,0]=3 846 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,1,0,0,0|1,0,0]=3 847 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,1,0,0,0|1,0,0]=3 848 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,1,0,0,0|1,0,0]=3 849 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,1,0,0,0|1,0,0]=3 850 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,1,0,0,0|1,0,0]=3 851 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,1,0,0,0|1,0,0]=3 852 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,0,1,0,0,0|2,0,0]=4 853 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,0,1,0,0,0|2,0,0]=4 854 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,0,1,0,0,0|1,0,0]=3 855 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,0,1,0,0,0|1,0,0]=3 856 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [1,0,1,0,0,0|2,0,0]=4 857 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [1,0,1,0,0,0|2,0,0]=4 858 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,0,1,0,0,0|1,0,0]=3 859 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,0,1,0,0,0|1,0,0]=3 860 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [1,0,1,0,0,0|2,0,0]=4 861 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [1,0,1,0,0,0|2,0,0]=4 862 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [1,0,1,0,0,0|2,0,0]=4 863 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,0,1,0,0,0|2,0,0]=4 864 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,0,1,0,0,0|2,0,0]=4 865 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,0,1,0,0,0|2,0,0]=4 866 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,0,1,0,0,0|2,0,0]=4 867 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,0,1,0,0,0|2,0,0]=4 868 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,0,1,0,0,0|2,0,0]=4 869 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,0,1,0,0,0|2,0,0]=4 870 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,0,1,0,0,0|1,0,0]=3 871 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,0,1,0,0,0|1,0,0]=3 872 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,0,1,0,0,0|1,0,0]=3 873 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,0,1,0,0,0|2,0,0]=4 874 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,0,1,0,0,0|2,0,0]=4 875 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,0,1,0,0,0|2,0,0]=4 876 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,0,1,0,0,0|2,0,0]=4 877 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,0,1,0,0,0|2,0,0]=4 878 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,0,1,0,0,0|2,0,0]=4 879 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,0,1,0,0,0|2,0,0]=4 880 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,0,1,0,0,0|2,0,0]=4 881 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,0,1,0,0,0|2,0,0]=4 882 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,0,1,0,0,0|2,0,0]=4 883 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,0,1,0,0,0|2,0,0]=4 884 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,0,1,0,0,0|2,0,0]=4 885 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,0,1,0,0,0|2,0,0]=4 886 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,0,1,0,0,0|1,0,0]=3 887 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,0,1,0,0,0|1,0,0]=3 888 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [1,0,1,0,0,0|2,0,0]=4 889 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [1,0,1,0,0,0|2,0,0]=4 890 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,0,1,0,0,0|2,0,0]=4 891 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,0,1,0,0,0|2,0,0]=4 892 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,0,1,0,0,0|2,0,0]=4 893 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,0,1,0,0,0|2,0,0]=4 894 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,0,1,0,0,0|2,0,0]=4 895 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,0,1,0,0,0|2,0,0]=4 896 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [1,0,1,0,0,0|2,0,0]=4 897 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [1,0,1,0,0,0|2,0,0]=4 898 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,0,1,0,0,0|2,0,0]=4 899 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,0,1,0,0,0|2,0,0]=4 900 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [1,0,1,0,0,0|2,0,0]=4 901 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [1,0,1,0,0,0|2,0,0]=4 902 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [1,0,1,0,0,0|2,0,0]=4 903 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [1,0,1,0,0,0|2,0,0]=4 904 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,0,1,0,0,0|2,0,0]=4 905 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,0,1,0,0,0|2,0,0]=4 906 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,0,1,0,0,0|2,0,0]=4 907 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,0,1,0,0,0|2,0,0]=4 908 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,0,1,0,0,0|2,0,0]=4 909 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,0,1,0,0,0|2,0,0]=4 910 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,0,1,0,0,0|2,0,0]=4 911 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,0,1,0,0,0|2,0,0]=4 912 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,0,1,0,0,0|2,0,0]=4 913 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,0,1,0,0,0|2,0,0]=4 914 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,0,1,0,0,0|2,0,0]=4 915 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,0,1,0,0,0|2,0,0]=4 916 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,0,1,0,0,0|2,0,0]=4 917 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,0,1,0,0,0|2,0,0]=4 918 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,0,1,0,0,0|2,0,0]=4 919 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,0,1,0,0,0|2,0,0]=4 920 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,0,1,0,0,0|2,0,0]=4 921 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,0,1,0,0,0|2,0,0]=4 922 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,0,1,0,0,0|2,0,0]=4 923 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,0,1,0,0,0|2,0,0]=4 924 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,0,1,0,0,0|2,0,0]=4 925 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,0,1,0,0,0|2,0,0]=4 926 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,0,1,0,0,0|2,0,0]=4 927 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [1,0,1,0,0,0|2,0,0]=4 928 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [1,0,1,0,0,0|2,0,0]=4 929 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,0,1,0,0,0|2,0,0]=4 930 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,0,1,0,0,0|2,0,0]=4 931 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [1,0,1,0,0,0|2,0,0]=4 932 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [1,0,1,0,0,0|2,0,0]=4 933 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,0,1,0,0,0|2,0,0]=4 934 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,0,1,0,0,0|2,0,0]=4 935 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,0,1,0,0,0|2,0,0]=4 936 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,0,1,0,0,0|2,0,0]=4 937 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,0,1,0,0,0|2,0,0]=4 938 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,0,1,0,0,0|2,0,0]=4 939 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,0,1,0,0,0|2,0,0]=4 940 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,0,1,0,0,0|2,0,0]=4 941 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,0,1,0,0,0|2,0,0]=4 942 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,0,1,0,0,0|2,0,0]=4 943 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [1,0,1,0,0,0|2,0,0]=4 944 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,0,1,0,0,0|2,0,0]=4 945 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,0,1,0,0,0|2,0,0]=4 946 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,0,1,0,0,0|2,0,0]=4 947 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,0,1,0,0,0|2,0,0]=4 948 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,0,1,0,0,0|2,0,0]=4 949 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,0,1,0,0,0|2,0,0]=4 950 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,0,1,0,0,0|2,0,0]=4 951 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,0,1,0,0,0|2,0,0]=4 952 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,0,1,0,0,0|2,0,0]=4 953 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [1,0,1,0,0,0|2,0,0]=4 954 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [1,0,1,0,0,0|2,0,0]=4 955 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,0,1,0,0,0|2,0,0]=4 956 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,0,1,0,0,0|2,0,0]=4 957 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,0,1,0,0,0|2,0,0]=4 958 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,0,1,0,0,0|2,0,0]=4 959 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,0,1,0,0,0|2,0,0]=4 960 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,0,1,0,0,0|2,0,0]=4 961 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,0,1,0,0,0|2,0,0]=4 962 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,0,1,0,0,0|2,0,0]=4 963 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,0,1,0,0,0|2,0,0]=4 964 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,0,1,0,0,0|2,0,0]=4 965 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,0,1,0,0,0|2,0,0]=4 966 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,0,1,0,0,0|2,0,0]=4 967 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,0,1,0,0,0|2,0,0]=4 968 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,0,1,0,0,0|2,0,0]=4 969 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,0,1,0,0,0|2,0,0]=4 970 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,0,1,0,0,0|2,0,0]=4 971 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,0,1,0,0,0|2,0,0]=4 972 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,0,1,0,0,0|2,0,0]=4 973 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,0,1,0,0,0|2,0,0]=4 974 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,0,1,0,0,0|2,0,0]=4 975 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,0,1,0,0,0|2,0,0]=4 976 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,0,1,0,0,0|2,0,0]=4 977 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,0,1,0,0,0|2,0,0]=4 978 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,0,1,0,0,0|2,0,0]=4 979 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,0,1,0,0,0|2,0,0]=4 980 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,0,1,0,0,0|2,0,0]=4 981 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,0,1,0,0,0|2,0,0]=4 982 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,0,1,0,0,0|2,0,0]=4 983 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,0,1,0,0,0|2,0,0]=4 984 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,0,1,0,0,0|2,0,0]=4 985 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,0,1,0,0,0|2,0,0]=4 986 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,0,1,0,0,0|2,0,0]=4 987 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,0,1,0,0,0|2,0,0]=4 988 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,0,1,0,0,0|2,0,0]=4 989 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,0,1,0,0,0|2,0,0]=4 990 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,0,1,0,0,0|2,0,0]=4 991 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,0,1,0,0,0|2,0,0]=4 992 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,0,1,0,0,0|2,0,0]=4 993 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [1,0,1,0,0,0|2,0,0]=4 994 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [1,0,1,0,0,0|2,0,0]=4 995 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,0,1,0,0,0|2,0,0]=4 996 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,0,1,0,0,0|2,0,0]=4 997 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,0,1,0,0,0|2,0,0]=4 998 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,0,1,0,0,0|2,0,0]=4 999 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,0,1,0,0,0|2,0,0]=4 1000 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,0,1,0,0,0|2,0,0]=4 1001 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,0,1,0,0,0|2,0,0]=4 1002 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,0,1,0,0,0|2,0,0]=4 1003 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [1,0,1,0,0,0|2,0,0]=4 1004 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [1,0,1,0,0,0|2,0,0]=4 1005 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [1,0,1,0,0,0|2,0,0]=4 1006 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [1,0,1,0,0,0|2,0,0]=4 1007 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [1,0,1,0,0,0|2,0,0]=4 1008 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,0,1,0,0,0|2,0,0]=4 1009 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,0,1,0,0,0|2,0,0]=4 1010 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,0,1,0,0,0|2,0,0]=4 1011 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,0,1,0,0,0|2,0,0]=4 1012 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,0,1,0,0,0|2,0,0]=4 1013 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,0,1,0,0,0|2,0,0]=4 1014 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,0,1,0,0,0|2,0,0]=4 1015 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,0,1,0,0,0|2,0,0]=4 1016 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,0,1,0,0,0|2,0,0]=4 1017 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,0,1,0,0,0|2,0,0]=4 1018 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,0,1,0,0,0|2,0,0]=4 1019 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,0,1,0,0,0|2,0,0]=4 1020 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,0,1,0,0,0|2,0,0]=4 1021 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,0,1,0,0,0|2,0,0]=4 1022 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,0,1,0,0,0|2,0,0]=4 1023 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,0,1,0,0,0|2,0,0]=4 1024 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,0,1,0,0,0|2,0,0]=4 1025 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,0,1,0,0,0|2,0,0]=4 1026 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,0,1,0,0,0|2,0,0]=4 1027 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,0,1,0,0,0|2,0,0]=4 1028 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,0,1,0,0,0|2,0,0]=4 1029 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,0,1,0,0,0|2,0,0]=4 1030 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,0,1,0,0,0|2,0,0]=4 1031 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,0,1,0,0,0|2,0,0]=4 1032 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,0,1,0,0,0|2,0,0]=4 1033 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,0,1,0,0,0|2,0,0]=4 1034 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,0,1,0,0,0|2,0,0]=4 1035 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,0,1,0,0,0|2,0,0]=4 1036 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,0,1,0,0,0|2,0,0]=4 1037 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,0,1,0,0,0|2,0,0]=4 1038 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,0,1,0,0,0|2,0,0]=4 1039 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,0,1,0,0,0|2,0,0]=4 1040 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,0,1,0,0,0|2,0,0]=4 1041 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,0,1,0,0,0|2,0,0]=4 1042 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,0,1,0,0,0|2,0,0]=4 1043 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,0,1,0,0,0|2,0,0]=4 1044 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,0,1,0,0,0|2,0,0]=4 1045 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,0,1,0,0,0|2,0,0]=4 1046 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,0,1,0,0,0|2,0,0]=4 1047 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,0,1,0,0,0|2,0,0]=4 1048 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,0,1,0,0,0|2,0,0]=4 1049 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,0,1,0,0,0|2,0,0]=4 1050 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,0,1,0,0,0|2,0,0]=4 1051 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,0,1,0,0,0|2,0,0]=4 1052 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,0,1,0,0,0|2,0,0]=4 1053 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [1,0,1,0,0,0|2,0,0]=4 1054 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [1,0,1,0,0,0|2,0,0]=4 1055 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [1,0,1,0,0,0|2,0,0]=4 1056 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [1,0,1,0,0,0|2,0,0]=4 1057 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [1,0,1,0,0,0|2,0,0]=4 1058 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [1,0,1,0,0,0|2,0,0]=4 1059 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [1,0,1,0,0,0|2,0,0]=4 1060 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [1,0,1,0,0,0|2,0,0]=4 1061 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [1,0,1,0,0,0|2,0,0]=4 1062 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [1,0,1,0,0,0|2,0,0]=4 1063 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,1,0,0,0|1,0,1]=4 1064 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [1,0,1,0,0,0|1,0,0]=3 1065 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [1,0,1,0,0,0|1,0,0]=3 1066 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [1,0,1,0,0,0|1,0,0]=3 1067 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [1,0,1,0,0,0|1,0,0]=3 1068 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [1,0,1,0,0,0|2,0,0]=4 1069 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [1,0,1,0,0,0|2,0,0]=4 1070 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [1,0,1,0,0,0|2,0,0]=4 1071 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [1,0,1,0,0,0|2,0,0]=4 1072 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [1,0,1,0,0,0|1,0,0]=3 1073 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [1,0,1,0,0,0|1,0,0]=3 1074 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [1,0,1,0,0,0|1,0,0]=3 1075 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [1,0,1,0,0,0|2,0,0]=4 1076 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [1,0,1,0,0,0|2,0,0]=4 1077 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [1,0,1,0,0,0|2,0,0]=4 1078 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [1,0,1,0,0,0|2,0,0]=4 1079 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [1,0,1,0,0,0|2,0,0]=4 1080 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [1,0,1,0,0,0|1,0,0]=3 1081 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [1,0,1,0,0,0|2,0,0]=4 1082 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [1,0,1,0,0,0|2,0,0]=4 1083 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [1,0,1,0,0,0|1,0,0]=3 1084 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [1,0,1,0,0,0|1,0,0]=3 1085 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [1,0,1,0,0,0|2,0,0]=4 1086 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [1,0,1,0,0,0|2,0,0]=4 1087 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [1,0,1,0,0,0|2,0,0]=4 1088 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [1,0,1,0,0,0|2,0,0]=4 1089 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [1,0,1,0,0,0|2,0,0]=4 1090 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [1,0,1,0,0,0|2,0,0]=4 1091 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,1,0,0,0|0,0,2]=4 1092 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,1,0,0,0|0,0,2]=4 1093 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,0,1,0,0,0|1,0,0]=3 1094 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,0,1,0,0,0|1,0,0]=3 1095 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,0,1,0,0,0|1,0,0]=3 1096 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,0,1,0,0,0|1,0,0]=3 1097 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,0,1,0,0,0|1,0,0]=3 1098 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,0,1,0,0,0|1,0,0]=3 1099 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,0,1,0,0,0|1,0,0]=3 1100 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,0,1,0,0,0|1,0,0]=3 1101 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,0,1,0,0,0|1,0,0]=3 1102 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,0,1,0,0,0|1,0,0]=3 1103 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,0,1,0,0,0|1,0,0]=3 1104 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,0,1,0,0,0|1,0,0]=3 1105 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,0,1,0,0,0|1,0,0]=3 1106 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,0,1,0,0,0|1,0,0]=3 1107 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,0,1,0,0,0|1,0,0]=3 1108 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [1,0,1,0,0,0|1,0,0]=3 1109 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [1,0,1,0,0,0|1,0,0]=3 1110 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [1,0,1,0,0,0|1,0,0]=3 1111 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [1,0,1,0,0,0|1,0,0]=3 1112 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [1,0,1,0,0,0|1,0,0]=3 1113 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [1,0,1,0,0,0|1,0,0]=3 1114 B7R0.3 CCCCN(C)CF 269982a_100000207549_100015361967 [1,0,1,0,0,0|2,0,0]=4 1115 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [1,0,1,0,0,0|1,0,0]=3 1116 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [1,0,1,0,0,0|1,0,0]=3 1117 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [1,0,1,0,0,0|1,0,0]=3 1118 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [1,0,1,0,0,0|2,0,0]=4 1119 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,0,1,0,0,0|1,0,0]=3 1120 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,0,1,0,0,0|1,0,0]=3 1121 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [1,0,1,0,0,0|2,0,0]=4 1122 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [1,0,1,0,0,0|2,0,0]=4 1123 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [1,0,1,0,0,0|2,0,0]=4 1124 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [1,0,1,0,0,0|2,0,0]=4 1125 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [1,0,1,0,0,0|1,0,0]=3 1126 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [1,0,1,0,0,0|1,0,0]=3 1127 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [1,0,1,0,0,0|2,0,0]=4 1128 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [1,0,1,0,0,0|2,0,0]=4 1129 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [1,0,1,0,0,0|2,0,0]=4 1130 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [1,0,1,0,0,0|2,0,0]=4 1131 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [1,0,1,0,0,0|2,0,0]=4 1132 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [1,0,1,0,0,0|2,0,0]=4 1133 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [1,0,1,0,0,0|2,0,0]=4 1134 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [1,0,1,0,0,0|1,0,0]=3 1135 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [1,0,1,0,0,0|1,0,0]=3 1136 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [1,0,1,0,0,0|1,0,0]=3 1137 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [1,0,1,0,0,0|1,0,0]=3 1138 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [1,0,1,0,0,0|2,0,0]=4 1139 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [1,0,1,0,0,0|2,0,0]=4 1140 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [1,0,1,0,0,0|2,0,0]=4 1141 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [1,0,1,0,0,0|2,0,0]=4 1142 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [1,0,1,0,0,0|2,0,0]=4 1143 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [1,0,1,0,0,0|2,0,0]=4 1144 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [1,0,1,0,0,0|2,0,0]=4 1145 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [1,0,1,0,0,0|2,0,0]=4 1146 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [1,0,1,0,0,0|2,0,0]=4 1147 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [1,0,1,0,0,0|2,0,0]=4 1148 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [1,0,1,0,0,0|2,0,0]=4 1149 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [1,0,1,0,0,0|2,0,0]=4 1150 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [1,0,1,0,0,0|1,0,0]=3 1151 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [1,0,1,0,0,0|1,0,0]=3 1152 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [1,0,1,0,0,0|1,0,0]=3 1153 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [1,0,1,0,0,0|2,0,0]=4 1154 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [1,0,1,0,0,0|1,0,0]=3 1155 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [1,0,1,0,0,0|1,0,0]=3 1156 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [1,0,1,0,0,0|2,0,0]=4 1157 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [1,0,1,0,0,0|1,0,0]=3 1158 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [1,0,1,0,0,0|2,0,0]=4 1159 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [1,0,1,0,0,0|2,0,0]=4 1160 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [1,0,1,0,0,0|2,0,0]=4 1161 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [1,0,1,0,0,0|2,0,0]=4 1162 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [1,0,1,0,0,0|2,0,0]=4 1163 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,0,1,0,0,0|1,0,0]=3 1164 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [1,0,1,0,0,0|2,0,0]=4 1165 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [1,0,1,0,0,0|2,0,0]=4 1166 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [1,0,1,0,0,0|2,0,0]=4 1167 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [1,0,1,0,0,0|2,0,0]=4 1168 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [1,0,1,0,0,0|2,0,0]=4 1169 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [1,0,1,0,0,0|2,0,0]=4 1170 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [1,0,1,0,0,0|1,0,0]=3 1171 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [1,0,1,0,0,0|2,0,0]=4 1172 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [1,0,1,0,0,0|2,0,0]=4 1173 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,0,1,0,0,0|1,0,0]=3 1174 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,0,1,0,0,0|1,0,0]=3 1175 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [1,0,1,0,0,0|2,0,0]=4 1176 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [1,0,1,0,0,0|2,0,0]=4 1177 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [1,0,1,0,0,0|2,0,0]=4 1178 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [1,0,1,0,0,0|1,0,0]=3 1179 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [1,0,1,0,0,0|1,0,0]=3 1180 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [1,0,1,0,0,0|2,0,0]=4 1181 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [1,0,1,0,0,0|1,0,0]=3 1182 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [1,0,1,0,0,0|1,0,0]=3 1183 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [1,0,1,0,0,0|2,0,0]=4 1184 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [1,0,1,0,0,0|2,0,0]=4 1185 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [1,0,1,0,0,0|1,0,0]=3 1186 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [1,0,1,0,0,0|1,0,0]=3 1187 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [1,0,1,0,0,0|2,0,0]=4 1188 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [1,0,1,0,0,0|2,0,0]=4 1189 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [1,0,1,0,0,0|2,0,0]=4 1190 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [1,0,1,0,0,0|2,0,0]=4 1191 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [1,0,1,0,0,0|2,0,0]=4 1192 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [1,0,1,0,0,0|2,0,0]=4 1193 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [1,0,1,0,0,0|2,0,0]=4 1194 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [1,0,1,0,0,0|2,0,0]=4 1195 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [1,0,1,0,0,0|2,0,0]=4 1196 B7R0.3 CN(CF)CCCO 269982a_100000213112_100015361967 [1,0,1,0,0,0|2,0,0]=4 1197 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [1,0,1,0,0,0|2,0,0]=4 1198 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [1,0,1,0,0,0|2,0,0]=4 1199 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [1,0,1,0,0,0|2,0,0]=4 1200 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [1,0,1,0,0,0|2,0,0]=4 1201 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [1,0,1,0,0,0|2,0,0]=4 1202 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [1,0,1,0,0,0|2,0,0]=4 1203 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [1,0,1,0,0,0|2,0,0]=4 1204 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [1,0,1,0,0,0|2,0,0]=4 1205 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [1,0,1,0,0,0|2,0,0]=4 1206 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [1,0,1,0,0,0|2,0,0]=4 1207 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [1,0,1,0,0,0|2,0,0]=4 1208 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [1,0,1,0,0,0|2,0,0]=4 1209 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [1,0,1,0,0,0|2,0,0]=4 1210 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [1,0,1,0,0,0|2,0,0]=4 1211 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [1,0,1,0,0,0|2,0,0]=4 1212 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [1,0,1,0,0,0|2,0,0]=4 1213 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [1,0,1,0,0,0|0,0,2]=4 1214 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,0,1,0,0,0|1,0,1]=4 1215 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,0,1,0,0,0|1,0,1]=4 1216 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [1,0,1,0,0,0|2,0,0]=4 1217 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [1,0,1,0,0,0|2,0,0]=4 1218 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [1,0,1,0,0,0|2,0,0]=4 1219 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [1,0,1,0,0,0|2,0,0]=4 1220 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [1,0,1,0,0,0|2,0,0]=4 1221 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [1,0,1,0,0,0|2,0,0]=4 1222 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [1,0,1,0,0,0|2,0,0]=4 1223 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [1,0,1,0,0,0|2,0,0]=4 1224 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [1,0,1,0,0,0|2,0,0]=4 1225 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [1,0,1,0,0,0|2,0,0]=4 1226 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [1,0,1,0,0,0|2,0,0]=4 1227 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [1,0,1,0,0,0|2,0,0]=4 1228 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [1,0,1,0,0,0|2,0,0]=4 1229 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [1,0,1,0,0,0|2,0,0]=4 1230 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [1,0,1,0,0,0|2,0,0]=4 1231 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [1,0,1,0,0,0|2,0,0]=4 1232 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,0,1,0,0,0|2,0,0]=4 1233 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,0,1,0,0,0|2,0,0]=4 1234 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,0,1,0,0,0|2,0,0]=4 1235 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [1,0,1,0,0,0|2,0,0]=4 1236 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [1,0,1,0,0,0|2,0,0]=4 1237 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [1,0,1,0,0,0|2,0,0]=4 1238 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [1,0,1,0,0,0|2,0,0]=4 1239 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [1,0,1,0,0,0|2,0,0]=4 1240 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [1,0,1,0,0,0|2,0,0]=4 1241 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [1,0,1,0,0,0|2,0,0]=4 1242 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [1,0,1,0,0,0|2,0,0]=4 1243 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [1,0,1,0,0,0|2,0,0]=4 1244 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [1,0,1,0,0,0|2,0,0]=4 1245 B7R0.7 CCCN(C)CCF 2230a_100000747261_100011217306 [1,0,1,0,0,0|2,0,0]=4 1246 B7R0.7 CCCN(C)CCF 269982a_100000747261_100011217306 [1,0,1,0,0,0|2,0,0]=4 1247 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [1,0,1,0,0,0|1,0,0]=3 1248 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [1,0,1,0,0,0|1,0,0]=3 1249 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [1,0,1,0,0,0|1,0,0]=3 1250 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [1,0,1,0,0,0|1,0,0]=3 1251 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [1,0,1,0,0,0|1,0,0]=3 1252 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [1,0,1,0,0,0|1,0,0]=3 1253 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [1,0,1,0,0,0|2,0,0]=4 1254 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [1,0,1,0,0,0|2,0,0]=4 1255 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [1,0,1,0,0,0|1,0,0]=3 1256 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [1,0,1,0,0,0|1,0,0]=3 1257 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [1,0,1,0,0,0|2,0,0]=4 1258 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [1,0,1,0,0,0|2,0,0]=4 1259 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [1,0,1,0,0,0|1,0,0]=3 1260 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [1,0,1,0,0,0|1,0,0]=3 1261 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [1,0,1,0,0,0|1,0,0]=3 1262 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [1,0,1,0,0,0|2,0,0]=4 1263 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [1,0,1,0,0,0|1,0,0]=3 1264 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [1,0,1,0,0,0|1,0,0]=3 1265 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [1,0,1,0,0,0|1,0,0]=3 1266 B7R0.7 CN(CCO)CCF 2230a_100000210263_100011217306 [1,0,1,0,0,0|2,0,0]=4 1267 B7R0.7 CN(CCO)CCF 269982a_100000210263_100011217306 [1,0,1,0,0,0|2,0,0]=4 1268 B7R0.7 CN(CCO)CCO 2230a_100000210263_100000211926 [1,0,1,0,0,0|2,0,0]=4 1269 B7R0.7 CN(CCO)CCO 2230a_100000210587_200000210301 [1,0,1,0,0,0|2,0,0]=4 1270 B7R0.7 CN(CCO)CCO 269982a_100000210263_100000211926 [1,0,1,0,0,0|2,0,0]=4 1271 B7R0.7 CN(CCO)CCO 269982a_100000210587_200000210301 [1,0,1,0,0,0|2,0,0]=4 1272 B7R0.7 CNCC(O)COC 2230a_100000756049_200000210301 [1,0,1,0,0,0|2,0,0]=4 1273 B7R0.7 CNCC(O)COC 34a_100000756049_200000210301 [1,0,1,0,0,0|2,0,0]=4 1274 B7R0.7 CNCC(O)COC 34a_100102657272_100011215053 [1,0,1,0,0,0|2,0,0]=4 1275 B7R0.7 CNCC(O)COC 7a_106832991635_100011215053 [1,0,1,0,0,0|2,0,0]=4 1276 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [1,0,1,0,0,0|2,0,0]=4 1277 B7R0.7 COCC(O)CN[13CH3] 2230a_100000756049_200025704644 [1,0,1,0,0,0|2,0,0]=4 1278 B7R0.7 COCC(O)CN[13CH3] 34a_100000756049_200025704644 [1,0,1,0,0,0|2,0,0]=4 1279 B7R0.7 COCC(O)COC 34a_100138415774_100011215053 [1,0,1,0,0,0|2,0,0]=4 1280 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [1,0,1,0,0,0|2,0,0]=4 1281 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [1,0,1,0,0,0|2,0,0]=4 1282 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [1,0,1,0,0,0|2,0,0]=4 1283 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [1,0,1,0,0,0|2,0,0]=4 1284 B7R0.7 COCN(C)CCO 2230a_100000210263_100000766300 [1,0,1,0,0,0|2,0,0]=4 1285 B7R0.7 COCN(C)CCO 269982a_100000210263_100000766300 [1,0,1,0,0,0|2,0,0]=4 1286 B7R0.7 CSCN(C)CCO 2230a_100000210263_100011218213 [1,0,1,0,0,0|2,0,0]=4 1287 B7R0.7 CSCN(C)CCO 269982a_100000210263_100011218213 [1,0,1,0,0,0|2,0,0]=4 1288 B7R0.7 C[C@H](CCO)NCF 34a_100000706166_100015361967 [1,0,1,0,0,0|2,0,0]=4 1289 B7R0.7 [13CH3]N(CCO)CCO 2230a_100000210587_200025704644 [1,0,1,0,0,0|2,0,0]=4 1290 B7R0.7 [13CH3]N(CCO)CCO 269982a_100000210587_200025704644 [1,0,1,0,0,0|2,0,0]=4 1291 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,0,1,0,0,0|1,0,1]=4 1292 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [1,0,1,0,0,0|1,0,1]=4 1293 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [1,0,1,0,0,0|1,0,1]=4 1294 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [1,0,1,0,0,0|2,0,0]=4 1295 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [1,0,1,0,0,0|2,0,0]=4 1296 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [1,0,1,0,0,0|2,0,0]=4 1297 B7R0.5 CC(C)N(C)CCF 269982a_200000211004_100011217306 [1,0,1,0,0,0|2,0,0]=4 1298 B7R0.5 CC(C)N(C)CCO 2230a_100000210263_100000210206 [1,0,1,0,0,0|1,0,0]=3 1299 B7R0.5 CC(C)N(C)CCO 2230a_100000224655_200000210301 [1,0,1,0,0,0|1,0,0]=3 1300 B7R0.5 CC(C)N(C)CCO 269982a_100000210263_100000210206 [1,0,1,0,0,0|1,0,0]=3 1301 B7R0.5 CC(C)N(C)CCO 269982a_100000224655_200000210301 [1,0,1,0,0,0|1,0,0]=3 1302 B7R0.5 CC(C)N(C)CCO 269982a_200000211004_100000211926 [1,0,1,0,0,0|1,0,0]=3 1303 B7R0.5 CC(C)N([13CH3])CCO 2230a_100000224655_200025704644 [1,0,1,0,0,0|1,0,0]=3 1304 B7R0.5 CC(C)N([13CH3])CCO 269982a_100000224655_200025704644 [1,0,1,0,0,0|1,0,0]=3 1305 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [1,0,1,0,0,0|2,0,0]=4 1306 B7R0.5 CC(CCO)N(C)C 2230a_100000731037_200000210301 [1,0,1,0,0,0|1,0,0]=3 1307 B7R0.5 CC(CCO)N(C)C 2230a_100102631434_100009893172 [1,0,1,0,0,0|1,0,0]=3 1308 B7R0.5 CC(CCO)N(C)C 269982a_100000731037_200000210301 [1,0,1,0,0,0|1,0,0]=3 1309 B7R0.5 CC(CCO)N(C)C 269982a_100102631434_100009893172 [1,0,1,0,0,0|1,0,0]=3 1310 B7R0.5 CC(CCO)N(C)[13CH3] 2230a_100000731037_200025704644 [1,0,1,0,0,0|1,0,0]=3 1311 B7R0.5 CC(CCO)N(C)[13CH3] 269982a_100000731037_200025704644 [1,0,1,0,0,0|1,0,0]=3 1312 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,0,1,0,0,0|1,0,1]=4 1313 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,0,1,0,0,0|1,0,1]=4 1314 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,0,1,0,0,0|1,0,1]=4 1315 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,0,1,0,0,0|1,0,1]=4 1316 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,0,1,0,0,0|1,0,1]=4 1317 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [1,0,1,0,0,0|1,0,0]=3 1318 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [1,0,1,0,0,0|1,0,0]=3 1319 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [1,0,1,0,0,0|1,0,0]=3 1320 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [1,0,1,0,0,0|1,0,0]=3 1321 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [1,0,1,0,0,0|1,0,0]=3 1322 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [1,0,1,0,0,0|1,0,0]=3 1323 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [1,0,1,0,0,0|1,0,0]=3 1324 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [1,0,1,0,0,0|1,0,0]=3 1325 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [1,0,1,0,0,0|1,0,0]=3 1326 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [1,0,1,0,0,0|1,0,0]=3 1327 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [1,0,1,0,0,0|1,0,0]=3 1328 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [1,0,1,0,0,0|1,0,0]=3 1329 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [1,0,1,0,0,0|2,0,0]=4 1330 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [1,0,1,0,0,0|2,0,0]=4 1331 B7R0.5 COCC(C)N(C)C 2230a_100102631434_100000765312 [1,0,1,0,0,0|2,0,0]=4 1332 B7R0.5 COCC(C)N(C)C 269982a_100102631434_100000765312 [1,0,1,0,0,0|2,0,0]=4 1333 B7R0.5 COCC(C)N(C)C 270004a_100102631434_100000749346 [1,0,1,0,0,0|2,0,0]=4 1334 B7R0.5 COCN(C)C(C)C 269982a_200000211004_100000766300 [1,0,1,0,0,0|2,0,0]=4 1335 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [1,0,1,0,0,0|2,0,0]=4 1336 B7R0.5 CSCC(C)N(C)C 270004a_100102631434_100011216314 [1,0,1,0,0,0|2,0,0]=4 1337 B7R0.5 CSCN(C)C(C)C 269982a_200000211004_100011218213 [1,0,1,0,0,0|2,0,0]=4 1338 B7R0.10 CC(CO)N(C)CF 269982a_100000693034_100015361967 [1,0,1,0,0,0|2,0,0]=4 1339 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,0,1,0,0,0|1,0,1]=4 1340 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,0,1,0,0,0|1,0,1]=4 1341 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,0,1,0,0,0|1,0,1]=4 1342 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [1,0,1,0,0,0|1,0,0]=3 1343 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [1,0,1,0,0,0|1,0,0]=3 1344 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [1,0,1,0,0,0|1,0,0]=3 1345 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [1,0,1,0,0,0|1,0,0]=3 1346 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [1,0,1,0,0,0|1,0,0]=3 1347 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [1,0,1,0,0,0|1,0,0]=3 1348 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [1,0,1,0,0,0|1,0,0]=3 1349 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [1,0,1,0,0,0|1,0,0]=3 1350 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [1,0,1,0,0,0|1,0,0]=3 1351 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [1,0,1,0,0,0|1,0,0]=3 1352 B7R0.10 CCC(C)N(C)CF 269982a_100000741768_100015361967 [1,0,1,0,0,0|2,0,0]=4 1353 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [1,0,1,0,0,0|1,0,0]=3 1354 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [1,0,1,0,0,0|1,0,0]=3 1355 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [1,0,1,0,0,0|1,0,0]=3 1356 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [1,0,1,0,0,0|1,0,0]=3 1357 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [1,0,1,0,0,0|1,0,0]=3 1358 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [1,0,1,0,0,0|1,0,0]=3 1359 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [1,0,1,0,0,0|1,0,0]=3 1360 B7R0.10 CCN(C)C(C)OC 269982a_100000225621_100009879195 [1,0,1,0,0,0|2,0,0]=4 1361 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [1,0,1,0,0,0|1,0,0]=3 1362 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [1,0,1,0,0,0|1,0,0]=3 1363 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [1,0,1,0,0,0|1,0,0]=3 1364 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,1,0,0,0|1,0,1]=4 1365 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,1,0,0,0|1,0,1]=4 1366 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [1,0,1,0,0,0|2,0,0]=4 1367 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [1,0,1,0,0,0|2,0,0]=4 1368 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [1,0,1,0,0,0|2,0,0]=4 1369 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,0,1,0,0,0|2,0,0]=4 1370 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,0,1,0,0,0|2,0,0]=4 1371 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,0,1,0,0,0|2,0,0]=4 1372 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,0,1,0,0,0|2,0,0]=4 1373 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [1,0,1,0,0,0|2,0,0]=4 1374 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [1,0,1,0,0,0|2,0,0]=4 1375 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [1,0,1,0,0,0|2,0,0]=4 1376 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [1,0,1,0,0,0|2,0,0]=4 1377 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [1,0,1,0,0,0|2,0,0]=4 1378 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [1,0,1,0,0,0|2,0,0]=4 1379 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [1,0,1,0,0,0|2,0,0]=4 1380 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [1,0,1,0,0,0|1,0,0]=3 1381 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [1,0,1,0,0,0|1,0,0]=3 1382 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [1,0,1,0,0,0|1,0,0]=3 1383 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [1,0,1,0,0,0|1,0,0]=3 1384 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [1,0,1,0,0,0|1,0,0]=3 1385 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [1,0,1,0,0,0|2,0,0]=4 1386 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [1,0,1,0,0,0|2,0,0]=4 1387 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [1,0,1,0,0,0|2,0,0]=4 1388 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [1,0,1,0,0,0|1,0,0]=3 1389 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [1,0,1,0,0,0|2,0,0]=4 1390 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [1,0,1,0,0,0|2,0,0]=4 1391 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [1,0,1,0,0,0|1,0,0]=3 1392 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [1,0,1,0,0,0|1,0,0]=3 1393 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [1,0,1,0,0,0|2,0,0]=4 1394 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [1,0,1,0,0,0|2,0,0]=4 1395 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [1,0,1,0,0,0|2,0,0]=4 1396 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [1,0,1,0,0,0|2,0,0]=4 1397 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [1,0,1,0,0,0|1,0,0]=3 1398 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [1,0,1,0,0,0|1,0,0]=3 1399 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [1,0,1,0,0,0|2,0,0]=4 1400 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [1,0,1,0,0,0|2,0,0]=4 1401 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [1,0,1,0,0,0|2,0,0]=4 1402 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [1,0,1,0,0,0|2,0,0]=4 1403 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [1,0,1,0,0,0|2,0,0]=4 1404 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [1,0,1,0,0,0|1,0,0]=3 1405 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [1,0,1,0,0,0|2,0,0]=4 1406 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [1,0,1,0,0,0|2,0,0]=4 1407 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [1,0,1,0,0,0|1,0,0]=3 1408 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [1,0,1,0,0,0|1,0,0]=3 1409 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [1,0,1,0,0,0|2,0,0]=4 1410 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,0,1,0,0,0|1,0,0]=3 1411 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,0,1,0,0,0|1,0,0]=3 1412 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [1,0,1,0,0,0|2,0,0]=4 1413 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [1,0,1,0,0,0|2,0,0]=4 1414 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [1,0,1,0,0,0|2,0,0]=4 1415 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [1,0,1,0,0,0|2,0,0]=4 1416 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [1,0,1,0,0,0|2,0,0]=4 1417 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [1,0,1,0,0,0|2,0,0]=4 1418 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [1,0,1,0,0,0|2,0,0]=4 1419 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [1,0,1,0,0,0|2,0,0]=4 1420 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [1,0,1,0,0,0|2,0,0]=4 1421 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [1,0,1,0,0,0|2,0,0]=4 1422 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [1,0,1,0,0,0|2,0,0]=4 1423 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [1,0,1,0,0,0|2,0,0]=4 1424 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [1,0,1,0,0,0|2,0,0]=4 1425 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [1,0,1,0,0,0|2,0,0]=4 1426 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [1,0,1,0,0,0|2,0,0]=4 1427 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,1,0,0,0|0,0,2]=4 1428 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,1,0,0,0|0,0,2]=4 1429 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,1,0,0,0|0,0,2]=4 1430 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,0,1,0,0,0|2,0,0]=4 1431 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,0,1,0,0,0|2,0,0]=4 1432 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,0,1,0,0,0|2,0,0]=4 1433 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,0,1,0,0,0|2,0,0]=4 1434 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,0,1,0,0,0|2,0,0]=4 1435 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,0,1,0,0,0|2,0,0]=4 1436 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,0,1,0,0,0|2,0,0]=4 1437 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,0,1,0,0,0|2,0,0]=4 1438 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,0,1,0,0,0|2,0,0]=4 1439 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,0,1,0,0,0|2,0,0]=4 1440 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,0,1,0,0,0|2,0,0]=4 1441 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,0,1,0,0,0|2,0,0]=4 1442 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,0,1,0,0,0|2,0,0]=4 1443 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,0,1,0,0,0|2,0,0]=4 1444 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,0,1,0,0,0|2,0,0]=4 1445 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,0,1,0,0,0|2,0,0]=4 1446 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,0,1,0,0,0|2,0,0]=4 1447 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,0,1,0,0,0|2,0,0]=4 1448 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,0,1,0,0,0|1,0,0]=3 1449 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,0,1,0,0,0|1,0,0]=3 1450 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [1,0,1,0,0,0|2,0,0]=4 1451 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,0,1,0,0,0|2,0,0]=4 1452 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,0,1,0,0,0|2,0,0]=4 1453 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [1,0,1,0,0,0|2,0,0]=4 1454 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,0,1,0,0,0|1,0,0]=3 1455 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [1,0,1,0,0,0|2,0,0]=4 1456 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [1,0,1,0,0,0|2,0,0]=4 1457 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,0,1,0,0,0|1,0,0]=3 1458 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,0,1,0,0,0|2,0,0]=4 1459 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,0,1,0,0,0|2,0,0]=4 1460 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,0,1,0,0,0|1,0,0]=3 1461 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,0,1,0,0,0|1,0,0]=3 1462 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,0,1,0,0,0|1,0,0]=3 1463 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,0,1,0,0,0|1,0,0]=3 1464 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,0,1,0,0,0|2,0,0]=4 1465 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,0,1,0,0,0|2,0,0]=4 1466 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,0,1,0,0,0|1,0,0]=3 1467 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,0,1,0,0,0|1,0,0]=3 1468 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,0,1,0,0,0|2,0,0]=4 1469 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,0,1,0,0,0|2,0,0]=4 1470 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,0,1,0,0,0|2,0,0]=4 1471 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,0,1,0,0,0|2,0,0]=4 1472 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,0,1,0,0,0|1,0,0]=3 1473 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,0,1,0,0,0|2,0,0]=4 1474 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,0,1,0,0,0|2,0,0]=4 1475 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,0,1,0,0,0|2,0,0]=4 1476 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,0,1,0,0,0|1,0,0]=3 1477 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,0,1,0,0,0|1,0,0]=3 1478 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [1,0,1,0,0,0|2,0,0]=4 1479 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [1,0,1,0,0,0|2,0,0]=4 1480 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [1,0,1,0,0,0|1,0,0]=3 1481 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [1,0,1,0,0,0|1,0,0]=3 1482 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [1,0,1,0,0,0|1,0,0]=3 1483 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [1,0,1,0,0,0|1,0,0]=3 1484 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [1,0,1,0,0,0|1,0,0]=3 1485 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [1,0,1,0,0,0|1,0,0]=3 1486 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [1,0,1,0,0,0|2,0,0]=4 1487 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [1,0,1,0,0,0|2,0,0]=4 1488 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [1,0,1,0,0,0|2,0,0]=4 1489 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [1,0,1,0,0,0|2,0,0]=4 1490 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [1,0,1,0,0,0|2,0,0]=4 1491 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,0,1,0,0,0|1,0,0]=3 1492 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,0,1,0,0,0|1,0,0]=3 1493 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,0,1,0,0,0|1,0,0]=3 1494 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,0,1,0,0,0|2,0,0]=4 1495 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,0,1,0,0,0|2,0,0]=4 1496 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,0,1,0,0,0|2,0,0]=4 1497 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,0,1,0,0,0|1,0,0]=3 1498 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [1,0,1,0,0,0|2,0,0]=4 1499 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [1,0,1,0,0,0|2,0,0]=4 1500 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [1,0,1,0,0,0|2,0,0]=4 1501 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [1,0,1,0,0,0|2,0,0]=4 1502 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [1,0,1,0,0,0|2,0,0]=4 1503 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,0,1,0,0,0|2,0,0]=4 1504 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,0,1,0,0,0|2,0,0]=4 1505 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,0,1,0,0,0|1,0,0]=3 1506 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,0,1,0,0,0|1,0,0]=3 1507 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [1,0,1,0,0,0|2,0,0]=4 1508 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [1,0,1,0,0,0|2,0,0]=4 1509 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [1,0,1,0,0,0|2,0,0]=4 1510 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [1,0,1,0,0,0|2,0,0]=4 1511 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [1,0,1,0,0,0|2,0,0]=4 1512 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [1,0,1,0,0,0|2,0,0]=4 1513 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [1,0,1,0,0,0|2,0,0]=4 1514 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [1,0,1,0,0,0|2,0,0]=4 1515 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [1,0,1,0,0,0|2,0,0]=4 1516 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [1,0,1,0,0,0|2,0,0]=4 1517 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [1,0,1,0,0,0|2,0,0]=4 1518 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [1,0,1,0,0,0|2,0,0]=4 1519 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [1,0,1,0,0,0|2,0,0]=4 1520 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [1,0,1,0,0,0|2,0,0]=4 1521 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [1,0,1,0,0,0|2,0,0]=4 1522 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [1,0,1,0,0,0|2,0,0]=4 1523 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [1,0,1,0,0,0|2,0,0]=4 1524 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,1,0,0,0|1,0,1]=4 1525 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,0,1,0,0,0|0,0,2]=4 1526 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,0,1,0,0,0|0,0,2]=4 1527 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,0,1,0,0,0|1,0,1]=4 1528 B7R0.6 CC(Br)COC(C)C 34a_100012180447_100000210206 [1,0,1,0,0,0|2,0,0]=4 1529 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,0,1,0,0,0|0,0,2]=4 1530 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [1,0,1,0,0,0|2,0,0]=4 1531 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [1,0,1,0,0,0|2,0,0]=4 1532 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [1,0,1,0,0,0|2,0,0]=4 1533 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [1,0,1,0,0,0|2,0,0]=4 1534 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [1,0,1,0,0,0|2,0,0]=4 1535 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [1,0,1,0,0,0|2,0,0]=4 1536 B7R0.6 CC(C)CNC(C)C 2230a_100000210953_100000210206 [1,0,1,0,0,0|2,0,0]=4 1537 B7R0.6 CC(C)CNC(C)C 2230a_100138425928_100000210760 [1,0,1,0,0,0|2,0,0]=4 1538 B7R0.6 CC(C)CNC(C)C 34a_100000210953_100000210206 [1,0,1,0,0,0|2,0,0]=4 1539 B7R0.6 CC(C)CNC(C)C 34a_100138425928_100000210624 [1,0,1,0,0,0|2,0,0]=4 1540 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [1,0,1,0,0,0|2,0,0]=4 1541 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [1,0,1,0,0,0|2,0,0]=4 1542 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [1,0,1,0,0,0|2,0,0]=4 1543 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [1,0,1,0,0,0|2,0,0]=4 1544 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [1,0,1,0,0,0|1,0,0]=3 1545 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [1,0,1,0,0,0|1,0,0]=3 1546 B7R0.6 CC(C)OC[C@@H](C)Cl 34a_100016084084_100000210206 [1,0,1,0,0,0|2,0,0]=4 1547 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [1,0,1,0,0,0|2,0,0]=4 1548 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [1,0,1,0,0,0|1,0,0]=3 1549 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [1,0,1,0,0,0|1,0,0]=3 1550 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [1,0,1,0,0,0|1,0,0]=3 1551 B7R0.6 CC(F)COC(C)C 34a_100015925927_100000210206 [1,0,1,0,0,0|2,0,0]=4 1552 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [1,0,1,0,0,0|1,0,0]=3 1553 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [1,0,1,0,0,0|1,0,0]=3 1554 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [1,0,1,0,0,0|1,0,0]=3 1555 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [1,0,1,0,0,0|1,0,0]=3 1556 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [1,0,1,0,0,0|1,0,0]=3 1557 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [1,0,1,0,0,0|1,0,0]=3 1558 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [1,0,1,0,0,0|1,0,0]=3 1559 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [1,0,1,0,0,0|1,0,0]=3 1560 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [1,0,1,0,0,0|1,0,0]=3 1561 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [1,0,1,0,0,0|2,0,0]=4 1562 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [1,0,1,0,0,0|2,0,0]=4 1563 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [1,0,1,0,0,0|2,0,0]=4 1564 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [1,0,1,0,0,0|2,0,0]=4 1565 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [1,0,1,0,0,0|2,0,0]=4 1566 B7R0.2 CC(O)CN(C)CF 269982a_100000227577_100015361967 [1,0,1,0,0,0|2,0,0]=4 1567 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,0,1,0,0,0|0,0,2]=4 1568 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,0,1,0,0,0|0,0,2]=4 1569 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,0,1,0,0,0|1,0,1]=4 1570 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,0,1,0,0,0|1,0,1]=4 1571 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,0,1,0,0,0|0,0,2]=4 1572 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,0,1,0,0,0|0,0,2]=4 1573 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,0,1,0,0,0|0,0,2]=4 1574 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [1,0,1,0,0,0|2,0,0]=4 1575 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [1,0,1,0,0,0|2,0,0]=4 1576 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [1,0,1,0,0,0|2,0,0]=4 1577 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [1,0,1,0,0,0|2,0,0]=4 1578 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [1,0,1,0,0,0|2,0,0]=4 1579 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [1,0,1,0,0,0|2,0,0]=4 1580 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [1,0,1,0,0,0|2,0,0]=4 1581 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [1,0,1,0,0,0|2,0,0]=4 1582 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [1,0,1,0,0,0|2,0,0]=4 1583 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [1,0,1,0,0,0|2,0,0]=4 1584 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [1,0,1,0,0,0|2,0,0]=4 1585 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [1,0,1,0,0,0|2,0,0]=4 1586 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [1,0,1,0,0,0|2,0,0]=4 1587 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [1,0,1,0,0,0|2,0,0]=4 1588 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,0,1,0,0,0|1,0,1]=4 1589 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,0,1,0,0,0|1,0,1]=4 1590 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,0,1,0,0,0|1,0,1]=4 1591 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [1,0,1,0,0,0|1,0,0]=3 1592 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [1,0,1,0,0,0|1,0,0]=3 1593 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [1,0,1,0,0,0|2,0,0]=4 1594 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [1,0,1,0,0,0|2,0,0]=4 1595 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [1,0,1,0,0,0|2,0,0]=4 1596 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [1,0,1,0,0,0|2,0,0]=4 1597 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [1,0,1,0,0,0|2,0,0]=4 1598 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [1,0,1,0,0,0|2,0,0]=4 1599 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [1,0,1,0,0,0|1,0,0]=3 1600 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [1,0,1,0,0,0|1,0,0]=3 1601 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [1,0,1,0,0,0|1,0,0]=3 1602 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [1,0,1,0,0,0|1,0,0]=3 1603 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [1,0,1,0,0,0|1,0,0]=3 1604 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [1,0,1,0,0,0|1,0,0]=3 1605 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [1,0,1,0,0,0|1,0,0]=3 1606 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [1,0,1,0,0,0|1,0,0]=3 1607 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [1,0,1,0,0,0|2,0,0]=4 1608 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [1,0,1,0,0,0|2,0,0]=4 1609 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [1,0,1,0,0,0|1,0,0]=3 1610 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [1,0,1,0,0,0|1,0,0]=3 1611 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,0,1,0,0,0|0,0,2]=4 1612 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [1,0,1,0,0,0|2,0,0]=4 1613 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [1,0,1,0,0,0|2,0,0]=4 1614 B7R0.2 CN(C)CC(O)CO 2230a_100011216503_200000210301 [1,0,1,0,0,0|2,0,0]=4 1615 B7R0.2 CN(C)CC(O)CO 2230a_100102631434_100011219619 [1,0,1,0,0,0|2,0,0]=4 1616 B7R0.2 CN(C)CC(O)CO 269982a_100011216503_200000210301 [1,0,1,0,0,0|2,0,0]=4 1617 B7R0.2 CN(C)C[C@@H](O)CF 2230a_100102631434_100015614560 [1,0,1,0,0,0|2,0,0]=4 1618 B7R0.2 CN(C)C[C@@H](O)CO 2230a_100102631434_100009815848 [1,0,1,0,0,0|2,0,0]=4 1619 B7R0.2 CN([13CH3])CC(O)CO 2230a_100011216503_200025704644 [1,0,1,0,0,0|2,0,0]=4 1620 B7R0.2 CN([13CH3])CC(O)CO 269982a_100011216503_200025704644 [1,0,1,0,0,0|2,0,0]=4 1621 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [1,0,1,0,0,0|2,0,0]=4 1622 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [1,0,1,0,0,0|2,0,0]=4 1623 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [1,0,1,0,0,0|2,0,0]=4 1624 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [1,0,1,0,0,0|2,0,0]=4 1625 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [1,0,1,0,0,0|2,0,0]=4 1626 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [1,0,1,0,0,0|2,0,0]=4 1627 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [1,0,1,0,0,0|2,0,0]=4 1628 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [1,0,1,0,0,0|2,0,0]=4 1629 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [1,0,1,0,0,0|2,0,0]=4 1630 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [2,0,0,0,0,0|2,0,0]=4 1631 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [2,0,0,0,0,0|2,0,0]=4 1632 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [2,0,0,0,0,0|2,0,0]=4 1633 B7R1.3 CN1CCOCC1 2230a_100015191051_200000210301 [2,0,0,0,0,0|2,0,0]=4 1634 B7R1.3 CN1CCOCC1 269982a_100015191051_200000210301 [2,0,0,0,0,0|2,0,0]=4 1635 B7R1.3 CN1CCOCC1 34a_100015191051_200000210301 [2,0,0,0,0,0|2,0,0]=4 1636 B7R1.3 CN1CCSCC1 2230a_100000737611_200000210301 [2,0,0,0,0,0|2,0,0]=4 1637 B7R1.3 CN1CCSCC1 269982a_100000737611_200000210301 [2,0,0,0,0,0|2,0,0]=4 1638 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [2,0,0,0,0,0|2,0,0]=4 1639 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [2,0,0,0,0,0|2,0,0]=4 1640 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [2,0,0,0,0,0|2,0,0]=4 1641 B7R1.3 [13CH3]N1CCOCC1 2230a_100015191051_200025704644 [2,0,0,0,0,0|2,0,0]=4 1642 B7R1.3 [13CH3]N1CCOCC1 269982a_100015191051_200025704644 [2,0,0,0,0,0|2,0,0]=4 1643 B7R1.3 [13CH3]N1CCOCC1 34a_100015191051_200025704644 [2,0,0,0,0,0|2,0,0]=4 1644 B7R1.3 [13CH3]N1CCSCC1 2230a_100000737611_200025704644 [2,0,0,0,0,0|2,0,0]=4 1645 B7R1.3 [13CH3]N1CCSCC1 269982a_100000737611_200025704644 [2,0,0,0,0,0|2,0,0]=4 1646 B9R0.4 CC(C)C[C@H](N)CCO[13CH3] 34a_100161151251_200025704644 [0,1,1,0,0,0|2,0,0]=4 1647 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,1,1,0,0,0|0,0,2]=4 1648 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,1,1,0,0,0|0,0,2]=4 1649 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,1,1,0,0,0|0,0,2]=4 1650 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,1,1,0,0,0|0,0,2]=4 1651 B9R0.4 CCCCC(C)NC(C)C 2230a_100000126638_100000210206 [0,1,1,0,0,0|2,0,0]=4 1652 B9R0.4 CCCCC(C)NC(C)C 2230a_100138425928_200011215066 [0,1,1,0,0,0|2,0,0]=4 1653 B9R0.4 CCCCC(C)NC(C)C 34a_100138425928_200011215066 [0,1,1,0,0,0|2,0,0]=4 1654 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [0,1,1,0,0,0|2,0,0]=4 1655 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [0,1,1,0,0,0|2,0,0]=4 1656 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [0,1,1,0,0,0|2,0,0]=4 1657 B9R0.4 CCCCC(C)SC(C)C 62a_100000210206_200011215066 [0,1,1,0,0,0|2,0,0]=4 1658 B9R0.4 CCCCC(C)SC(C)C 62a_200011215066_100000210206 [0,1,1,0,0,0|2,0,0]=4 1659 B9R0.4 CCCCN(C)CC(C)C 2230a_100000207549_100000210760 [0,1,1,0,0,0|2,0,0]=4 1660 B9R0.4 CCCCN(C)CC(C)C 2230a_100000747067_100000210211 [0,1,1,0,0,0|2,0,0]=4 1661 B9R0.4 CCCCN(C)CC(C)C 269982a_100000207549_100000210624 [0,1,1,0,0,0|2,0,0]=4 1662 B9R0.4 CCCCN(C)CC(C)C 269982a_100000747067_100000210211 [0,1,1,0,0,0|2,0,0]=4 1663 B9R0.4 CCCCN(C)CC(C)C 270004a_100000207549_100000210432 [0,1,1,0,0,0|2,0,0]=4 1664 B9R0.4 CCCCN(C)CC(C)O 2230a_100000207549_100011218427 [0,1,1,0,0,0|2,0,0]=4 1665 B9R0.4 CCCCN(C)CC(C)O 2230a_100000227577_100000210211 [0,1,1,0,0,0|2,0,0]=4 1666 B9R0.4 CCCCN(C)CC(C)O 269982a_100000207549_100011218427 [0,1,1,0,0,0|2,0,0]=4 1667 B9R0.4 CCCCN(C)CC(C)O 269982a_100000227577_100000210211 [0,1,1,0,0,0|2,0,0]=4 1668 B9R0.4 CCCCN(C)C[C@@H](C)O 2230a_100000207549_100009817552 [0,1,1,0,0,0|2,0,0]=4 1669 B9R0.4 CCCCN(C)C[C@@H](C)O 269982a_100000207549_100009817552 [0,1,1,0,0,0|2,0,0]=4 1670 B9R0.4 CCCNC(C)CC(C)C 2230a_100000692259_100000210303 [0,1,1,0,0,0|2,0,0]=4 1671 B9R0.4 CCCOC(C)CC(C)C 34a_100000210258_100000731052 [0,1,1,0,0,0|2,0,0]=4 1672 B9R0.4 CCCOC(C)CC(C)C 34a_100000211805_100000210303 [0,1,1,0,0,0|2,0,0]=4 1673 B9R0.4 CCCOC(C)CC(C)C 7a_100000211805_100000210303 [0,1,1,0,0,0|2,0,0]=4 1674 B9R0.4 CCCSC(C)CC(C)C 62a_100000210303_100000731052 [0,1,1,0,0,0|2,0,0]=4 1675 B9R0.4 CCCSC(C)CC(C)C 62a_100000731052_100000210303 [0,1,1,0,0,0|2,0,0]=4 1676 B9R0.4 CCOC[C@@H](N)CC(C)C 34a_100011830311_100000210202 [0,1,1,0,0,0|2,0,0]=4 1677 B9R0.4 COCC[C@@H](N)CC(C)C 34a_100161151251_200000210301 [0,1,1,0,0,0|2,0,0]=4 1678 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,1,1,0,0,0|0,0,2]=4 1679 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,1,1,0,0,0|0,0,2]=4 1680 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,1,1,0,0,0|0,0,2]=4 1681 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,1,1,0,0,0|0,0,2]=4 1682 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,1,1,0,0,0|0,0,2]=4 1683 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,1,1,0,0,0|0,0,2]=4 1684 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,1,1,0,0,0|0,0,2]=4 1685 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,1,1,0,0,0|0,0,2]=4 1686 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,1,1,0,0,0|0,0,2]=4 1687 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,1,1,0,0,0|0,0,2]=4 1688 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [0,1,1,0,0,0|1,0,0]=3 1689 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [0,1,1,0,0,0|1,0,0]=3 1690 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [0,1,1,0,0,0|1,0,0]=3 1691 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [0,1,1,0,0,0|1,0,0]=3 1692 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [0,1,1,0,0,0|1,0,0]=3 1693 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [0,1,1,0,0,0|1,0,0]=3 1694 B9R0.5 CCCC(C)CCOCF 34a_100011217855_100015361967 [0,1,1,0,0,0|2,0,0]=4 1695 B9R0.5 CCCC(C)CCOCF 7a_100011217855_100015361967 [0,1,1,0,0,0|2,0,0]=4 1696 B9R0.5 CCCC(C)CNCCF 34a_100000724931_100011216630 [0,1,1,0,0,0|2,0,0]=4 1697 B9R0.5 CCCC(C)CNCCO 2230a_100016997473_100011216630 [0,1,1,0,0,0|2,0,0]=4 1698 B9R0.5 CCCC(C)CNCCO 270004a_100000210304_100000243154 [0,1,1,0,0,0|2,0,0]=4 1699 B9R0.5 CCCC(C)CNCCO 34a_100016990907_100011216630 [0,1,1,0,0,0|2,0,0]=4 1700 B9R0.5 CCCC(C)COCCBr 34a_100000211926_100011216630 [0,1,1,0,0,0|2,0,0]=4 1701 B9R0.5 CCCC(C)COCCF 34a_100000688023_100011217306 [0,1,1,0,0,0|2,0,0]=4 1702 B9R0.5 CCCC(C)COCCF 7a_100000688023_100011217306 [0,1,1,0,0,0|2,0,0]=4 1703 B9R0.5 CCCC(C)COCCN 34a_100000210304_100011216630 [0,1,1,0,0,0|2,0,0]=4 1704 B9R0.5 CCCC(C)COCCO 34a_100000688023_100000211926 [0,1,1,0,0,0|2,0,0]=4 1705 B9R0.5 CCCC(C)COCCO 7a_100000688023_100000211926 [0,1,1,0,0,0|2,0,0]=4 1706 B9R0.5 CCCC(C)COCSC 34a_100000688023_100011218213 [0,1,1,0,0,0|2,0,0]=4 1707 B9R0.5 CCCC(C)CSCCF 62a_100011216630_100011217306 [0,1,1,0,0,0|2,0,0]=4 1708 B9R0.5 CCCC(C)CSCCF 62a_100011217306_100011216630 [0,1,1,0,0,0|2,0,0]=4 1709 B9R0.5 CCCC(C)CSCCO 62a_100000211926_100011216630 [0,1,1,0,0,0|2,0,0]=4 1710 B9R0.5 CCCC(C)CSCCO 62a_100011216630_100000211926 [0,1,1,0,0,0|2,0,0]=4 1711 B9R0.5 CCCC(C)CSCOC 62a_100000766300_100011216630 [0,1,1,0,0,0|2,0,0]=4 1712 B9R0.5 CCCC(C)CSCOC 62a_100011216630_100000766300 [0,1,1,0,0,0|2,0,0]=4 1713 B9R0.5 CCCC(C)CSCSC 62a_100011216630_100011218213 [0,1,1,0,0,0|2,0,0]=4 1714 B9R0.5 CCCC(C)CSCSC 62a_100011218213_100011216630 [0,1,1,0,0,0|2,0,0]=4 1715 B9R0.5 CCCC(C)NCCCF 2230a_100000741246_100011934791 [0,1,1,0,0,0|2,0,0]=4 1716 B9R0.5 CCCC(C)NCCCF 2230a_100015189416_100000766640 [0,1,1,0,0,0|2,0,0]=4 1717 B9R0.5 CCCC(C)NCCCF 270004a_100015189416_100000211909 [0,1,1,0,0,0|2,0,0]=4 1718 B9R0.5 CCCC(C)NCCCF 34a_100015189416_100000766640 [0,1,1,0,0,0|2,0,0]=4 1719 B9R0.5 CCCC(C)NCCCO 2230a_100000741246_100000230001 [0,1,1,0,0,0|2,0,0]=4 1720 B9R0.5 CCCC(C)NCCCO 270004a_100000182051_100000211909 [0,1,1,0,0,0|2,0,0]=4 1721 B9R0.5 CCCC(C)NCCOC 2230a_100000209980_100000766640 [0,1,1,0,0,0|2,0,0]=4 1722 B9R0.5 CCCC(C)NCCOC 2230a_100000741246_100011201679 [0,1,1,0,0,0|2,0,0]=4 1723 B9R0.5 CCCC(C)NCCOC 270004a_100000209980_100000211909 [0,1,1,0,0,0|2,0,0]=4 1724 B9R0.5 CCCC(C)NCCSC 2230a_100000741246_100000751147 [0,1,1,0,0,0|2,0,0]=4 1725 B9R0.5 CCCC(C)NCCSC 2230a_100020590264_100000766640 [0,1,1,0,0,0|2,0,0]=4 1726 B9R0.5 CCCC(C)NCCSC 270004a_100020590264_100000211909 [0,1,1,0,0,0|2,0,0]=4 1727 B9R0.5 CCCC(C)OCCCBr 34a_100011217188_100000766640 [0,1,1,0,0,0|2,0,0]=4 1728 B9R0.5 CCCC(C)OCCCCl 34a_100000230001_100000766640 [0,1,1,0,0,0|2,0,0]=4 1729 B9R0.5 CCCC(C)OCCCF 34a_100000759539_100000766640 [0,1,1,0,0,0|2,0,0]=4 1730 B9R0.5 CCCC(C)OCCCF 34a_100000764384_100011934791 [0,1,1,0,0,0|2,0,0]=4 1731 B9R0.5 CCCC(C)OCCCF 7a_100000764384_100011934791 [0,1,1,0,0,0|2,0,0]=4 1732 B9R0.5 CCCC(C)OCCCN 34a_100000182051_100000766640 [0,1,1,0,0,0|2,0,0]=4 1733 B9R0.5 CCCC(C)OCCCO 34a_100000764384_100000230001 [0,1,1,0,0,0|2,0,0]=4 1734 B9R0.5 CCCC(C)OCCCO 7a_100000764384_100011215043 [0,1,1,0,0,0|2,0,0]=4 1735 B9R0.5 CCCC(C)OCCOC 34a_100000210237_100000766640 [0,1,1,0,0,0|2,0,0]=4 1736 B9R0.5 CCCC(C)OCCOC 34a_100000764384_100011201679 [0,1,1,0,0,0|2,0,0]=4 1737 B9R0.5 CCCC(C)OCCOC 7a_100000764384_100000233755 [0,1,1,0,0,0|2,0,0]=4 1738 B9R0.5 CCCC(C)OCCSC 34a_100000230434_100000766640 [0,1,1,0,0,0|2,0,0]=4 1739 B9R0.5 CCCC(C)OCCSC 34a_100000764384_100000212216 [0,1,1,0,0,0|2,0,0]=4 1740 B9R0.5 CCCC(C)OCCSC 7a_100000230434_100000766640 [0,1,1,0,0,0|2,0,0]=4 1741 B9R0.5 CCCC(C)OCCSC 7a_100000764384_100000212216 [0,1,1,0,0,0|2,0,0]=4 1742 B9R0.5 CCCC(C)SCCCF 62a_100000766640_100011934791 [0,1,1,0,0,0|2,0,0]=4 1743 B9R0.5 CCCC(C)SCCCF 62a_100011934791_100000766640 [0,1,1,0,0,0|2,0,0]=4 1744 B9R0.5 CCCC(C)SCCCO 62a_100000766640_100011215043 [0,1,1,0,0,0|2,0,0]=4 1745 B9R0.5 CCCC(C)SCCCO 62a_100011215043_100000766640 [0,1,1,0,0,0|2,0,0]=4 1746 B9R0.5 CCCC(C)SCCOC 62a_100000233755_100000766640 [0,1,1,0,0,0|2,0,0]=4 1747 B9R0.5 CCCC(C)SCCOC 62a_100000766640_100000233755 [0,1,1,0,0,0|2,0,0]=4 1748 B9R0.5 CCCC(C)SCCSC 62a_100000212216_100000766640 [0,1,1,0,0,0|2,0,0]=4 1749 B9R0.5 CCCC(C)SCCSC 62a_100000766640_100000751147 [0,1,1,0,0,0|2,0,0]=4 1750 B9R0.5 CCCC(C)SCOCC 62a_100000739092_100000766640 [0,1,1,0,0,0|2,0,0]=4 1751 B9R0.5 CCCC(C)SCOCC 62a_100000766640_100000739092 [0,1,1,0,0,0|2,0,0]=4 1752 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,1,1,0,0,0|0,0,2]=4 1753 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,1,1,0,0,0|0,0,2]=4 1754 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [0,1,1,0,0,0|2,0,0]=4 1755 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [0,1,1,0,0,0|2,0,0]=4 1756 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [0,1,1,0,0,0|2,0,0]=4 1757 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [0,1,1,0,0,0|2,0,0]=4 1758 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [0,1,1,0,0,0|2,0,0]=4 1759 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [0,1,1,0,0,0|2,0,0]=4 1760 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [0,1,1,0,0,0|2,0,0]=4 1761 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [0,1,1,0,0,0|2,0,0]=4 1762 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [0,1,1,0,0,0|2,0,0]=4 1763 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [0,1,1,0,0,0|2,0,0]=4 1764 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [0,1,1,0,0,0|2,0,0]=4 1765 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [0,1,1,0,0,0|2,0,0]=4 1766 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [0,1,1,0,0,0|2,0,0]=4 1767 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [0,1,1,0,0,0|2,0,0]=4 1768 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [0,1,1,0,0,0|2,0,0]=4 1769 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [0,1,1,0,0,0|2,0,0]=4 1770 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,1,1,0,0,0|0,0,2]=4 1771 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,1,1,0,0,0|0,0,2]=4 1772 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,1,1,0,0,0|0,0,2]=4 1773 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,1,1,0,0,0|0,0,2]=4 1774 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [0,1,1,0,0,0|1,0,0]=3 1775 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [0,1,1,0,0,0|1,0,0]=3 1776 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [0,1,1,0,0,0|1,0,0]=3 1777 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [0,1,1,0,0,0|1,0,0]=3 1778 B9R0.5 CCCCNC(C)CCO 2230a_100000102301_100009893172 [0,1,1,0,0,0|2,0,0]=4 1779 B9R0.5 CCCCNC(C)CCO 7a_106832991798_100009893172 [0,1,1,0,0,0|2,0,0]=4 1780 B9R0.5 CCCCNC(C)COC 2230a_100000102301_100000765312 [0,1,1,0,0,0|2,0,0]=4 1781 B9R0.5 CCCCNC(C)COC 270004a_100000102301_100000749346 [0,1,1,0,0,0|2,0,0]=4 1782 B9R0.5 CCCCNC(C)COC 7a_106832991798_100000765312 [0,1,1,0,0,0|2,0,0]=4 1783 B9R0.5 CCCCNC(C)CSC 270004a_100000102301_100011216314 [0,1,1,0,0,0|2,0,0]=4 1784 B9R0.5 CCCCN[C@H](C)CCO 2230a_100000706166_100000210211 [0,1,1,0,0,0|2,0,0]=4 1785 B9R0.5 CCCCN[C@H](C)CCO 34a_100000706166_100000210210 [0,1,1,0,0,0|2,0,0]=4 1786 B9R0.5 CCCCN[C@H](C)COC 2230a_100000764878_100000210211 [0,1,1,0,0,0|2,0,0]=4 1787 B9R0.5 CCCCOC(C)CCBr 34a_100012276601_100000210210 [0,1,1,0,0,0|2,0,0]=4 1788 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [0,1,1,0,0,0|1,0,0]=3 1789 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [0,1,1,0,0,0|1,0,0]=3 1790 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [0,1,1,0,0,0|1,0,0]=3 1791 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [0,1,1,0,0,0|1,0,0]=3 1792 B9R0.5 CCCCOC(C)CCO 34a_100000210227_100009893172 [0,1,1,0,0,0|2,0,0]=4 1793 B9R0.5 CCCCOC(C)CCO 7a_100000210227_100009893172 [0,1,1,0,0,0|2,0,0]=4 1794 B9R0.5 CCCCOC(C)COC 34a_100000210227_100000765312 [0,1,1,0,0,0|2,0,0]=4 1795 B9R0.5 CCCCOC(C)COC 7a_100000210227_100000765312 [0,1,1,0,0,0|2,0,0]=4 1796 B9R0.5 CCCCO[C@H](C)COC 34a_100011934205_100000210210 [0,1,1,0,0,0|2,0,0]=4 1797 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [0,1,1,0,0,0|1,0,0]=3 1798 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [0,1,1,0,0,0|1,0,0]=3 1799 B9R0.5 CCCCSC(C)CCO 62a_100000210211_100009893172 [0,1,1,0,0,0|2,0,0]=4 1800 B9R0.5 CCCCSC(C)CCO 62a_100009893172_100000210210 [0,1,1,0,0,0|2,0,0]=4 1801 B9R0.5 CCCCSC(C)COC 62a_100000210211_100000765312 [0,1,1,0,0,0|2,0,0]=4 1802 B9R0.5 CCCCSC(C)COC 62a_100000765312_100000210210 [0,1,1,0,0,0|2,0,0]=4 1803 B9R0.5 CCCN(C)CCCCF 2230a_100000747261_100000729493 [0,1,1,0,0,0|2,0,0]=4 1804 B9R0.5 CCCN(C)CCCCF 269982a_100000747261_100000729493 [0,1,1,0,0,0|2,0,0]=4 1805 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [0,1,1,0,0,0|2,0,0]=4 1806 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [0,1,1,0,0,0|2,0,0]=4 1807 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [0,1,1,0,0,0|2,0,0]=4 1808 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [0,1,1,0,0,0|2,0,0]=4 1809 B9R0.5 CCCN(C)CCCOC 2230a_100000224831_100000210303 [0,1,1,0,0,0|2,0,0]=4 1810 B9R0.5 CCCN(C)CCCOC 2230a_100000747261_100000740836 [0,1,1,0,0,0|2,0,0]=4 1811 B9R0.5 CCCN(C)CCCOC 269982a_100000224831_100000210303 [0,1,1,0,0,0|2,0,0]=4 1812 B9R0.5 CCCN(C)CCCOC 269982a_100000747261_100000740836 [0,1,1,0,0,0|2,0,0]=4 1813 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [0,1,1,0,0,0|2,0,0]=4 1814 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [0,1,1,0,0,0|2,0,0]=4 1815 B9R0.5 CCCN(C)CCSCC 2230a_100000747261_100000757381 [0,1,1,0,0,0|2,0,0]=4 1816 B9R0.5 CCCN(C)CCSCC 269982a_100000747261_100000757381 [0,1,1,0,0,0|2,0,0]=4 1817 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [0,1,1,0,0,0|1,0,0]=3 1818 B9R0.5 CCCNCC(O)COC 2230a_100000756049_100000210303 [0,1,1,0,0,0|1,0,0]=3 1819 B9R0.5 CCCNCC(O)COC 34a_100000756049_100000210303 [0,1,1,0,0,0|1,0,0]=3 1820 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,1,1,0,0,0|0,0,2]=4 1821 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [0,1,1,0,0,0|1,0,0]=3 1822 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [0,1,1,0,0,0|1,0,0]=3 1823 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [0,1,1,0,0,0|1,0,0]=3 1824 B9R0.5 CCCOCC(C)CCN 34a_106354213184_100000210303 [0,1,1,0,0,0|2,0,0]=4 1825 B9R0.5 CCCOCC(N)COC 34a_100000724102_100000210303 [0,1,1,0,0,0|2,0,0]=4 1826 B9R0.5 CCCOCC(O)COC 34a_100000210258_100011215053 [0,1,1,0,0,0|1,0,0]=3 1827 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [0,1,1,0,0,0|1,0,0]=3 1828 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,1,1,0,0,0|0,0,2]=4 1829 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,1,1,0,0,0|0,0,2]=4 1830 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,1,1,0,0,0|0,0,2]=4 1831 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [0,1,1,0,0,0|1,0,0]=3 1832 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [0,1,1,0,0,0|1,0,0]=3 1833 B9R0.5 CCCSCC(C)NCC 270004a_100015525214_100011343953 [0,1,1,0,0,0|2,0,0]=4 1834 B9R0.5 CCCSCC(O)COC 62a_100000210303_100011215053 [0,1,1,0,0,0|1,0,0]=3 1835 B9R0.5 CCCSCC(O)COC 62a_100011215053_100000210303 [0,1,1,0,0,0|1,0,0]=3 1836 B9R0.5 CCCSC[C@@H](O)CC#N 62a_100000001066_100000210303 [0,1,1,0,0,0|1,0,1]=4 1837 B9R0.5 CCCSC[C@@H](O)CC#N 62a_100000210303_100000001066 [0,1,1,0,0,0|1,0,1]=4 1838 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [0,1,1,0,0,0|1,0,0]=3 1839 B9R0.5 CCC[C@H](N)CCOCF 34a_100015193777_100015361967 [0,1,1,0,0,0|2,0,0]=4 1840 B9R0.5 CCC[C@H](N)COCCF 34a_100000732646_100011217306 [0,1,1,0,0,0|2,0,0]=4 1841 B9R0.5 CCC[C@H](N)COCCO 34a_100000732646_100000211926 [0,1,1,0,0,0|2,0,0]=4 1842 B9R0.5 CCC[C@H](N)COCSC 34a_100000732646_100011218213 [0,1,1,0,0,0|2,0,0]=4 1843 B9R0.5 CCNC(C)CCCSC 270004a_100015525214_100011399439 [0,1,1,0,0,0|2,0,0]=4 1844 B9R0.5 CCNC(C)CCOCC 270004a_100015525214_200011216536 [0,1,1,0,0,0|2,0,0]=4 1845 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [0,1,1,0,0,0|2,0,0]=4 1846 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [0,1,1,0,0,0|2,0,0]=4 1847 B9R0.5 COCC(O)CNCCF 2230a_100000756049_100011217306 [0,1,1,0,0,0|2,0,0]=4 1848 B9R0.5 COCC(O)CNCCF 34a_100000724931_100011215053 [0,1,1,0,0,0|2,0,0]=4 1849 B9R0.5 COCC(O)CNCCF 34a_100000756049_100011217306 [0,1,1,0,0,0|2,0,0]=4 1850 B9R0.5 COCC(O)CNCCO 2230a_100000756049_100000211926 [0,1,1,0,0,0|2,0,0]=4 1851 B9R0.5 COCC(O)CNCCO 34a_100000756049_100000211926 [0,1,1,0,0,0|2,0,0]=4 1852 B9R0.5 COCC(O)CNCCO 34a_100016990907_100011215053 [0,1,1,0,0,0|2,0,0]=4 1853 B9R0.5 COCC(O)CNCSC 2230a_100000756049_100011218213 [0,1,1,0,0,0|2,0,0]=4 1854 B9R0.5 COCC(O)CNCSC 34a_100000756049_100011218213 [0,1,1,0,0,0|2,0,0]=4 1855 B9R0.5 COCC(O)COCCBr 34a_100000211926_100011215053 [0,1,1,0,0,0|2,0,0]=4 1856 B9R0.5 COCC(O)COCCN 34a_100000210304_100011215053 [0,1,1,0,0,0|2,0,0]=4 1857 B9R0.5 COCC(O)CSCCF 62a_100011215053_100011217306 [0,1,1,0,0,0|2,0,0]=4 1858 B9R0.5 COCC(O)CSCCF 62a_100011217306_100011215053 [0,1,1,0,0,0|2,0,0]=4 1859 B9R0.5 COCC(O)CSCCO 62a_100000211926_100011215053 [0,1,1,0,0,0|2,0,0]=4 1860 B9R0.5 COCC(O)CSCCO 62a_100011215053_100000211926 [0,1,1,0,0,0|2,0,0]=4 1861 B9R0.5 COCC(O)CSCSC 62a_100011215053_100011218213 [0,1,1,0,0,0|2,0,0]=4 1862 B9R0.5 COCC(O)CSCSC 62a_100011218213_100011215053 [0,1,1,0,0,0|2,0,0]=4 1863 B9R0.5 COCNCC(O)COC 2230a_100000756049_100000766300 [0,1,1,0,0,0|2,0,0]=4 1864 B9R0.5 COCSCC(O)COC 62a_100000766300_100011215053 [0,1,1,0,0,0|2,0,0]=4 1865 B9R0.5 COCSCC(O)COC 62a_100011215053_100000766300 [0,1,1,0,0,0|2,0,0]=4 1866 B9R0.5 COC[C@@H](N)CCCCN 34a_100016993712_200000210301 [0,1,1,0,0,0|2,0,0]=4 1867 B9R0.5 [13CH3]OC[C@@H](N)CCCCN 34a_100016993712_200025704644 [0,1,1,0,0,0|2,0,0]=4 1868 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,1,1,0,0,0|1,0,1]=4 1869 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,1,1,0,0,0|0,0,2]=4 1870 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,1,1,0,0,0|0,0,2]=4 1871 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,1,1,0,0,0|0,0,2]=4 1872 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,1,1,0,0,0|1,0,1]=4 1873 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,1,1,0,0,0|1,0,1]=4 1874 B9R0.8 CCCCC(C)N(C)CC 2230a_100000225621_200011215066 [0,1,1,0,0,0|2,0,0]=4 1875 B9R0.8 CCCCC(C)N(C)CC 269982a_100000225621_200011215066 [0,1,1,0,0,0|2,0,0]=4 1876 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,1,1,0,0,0|0,0,1]=3 1877 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [0,1,1,0,0,0|1,0,1]=4 1878 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,1,1,0,0,0|1,0,1]=4 1879 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,1,1,0,0,0|1,0,1]=4 1880 B9R0.8 CCCCN(C)C(C)CC 2230a_100000207357_200000210301 [0,1,1,0,0,0|2,0,0]=4 1881 B9R0.8 CCCCN(C)C(C)CC 2230a_100000207549_100000758301 [0,1,1,0,0,0|2,0,0]=4 1882 B9R0.8 CCCCN(C)C(C)CC 2230a_100000741768_100000210211 [0,1,1,0,0,0|2,0,0]=4 1883 B9R0.8 CCCCN(C)C(C)CC 269982a_100000207357_200000210301 [0,1,1,0,0,0|2,0,0]=4 1884 B9R0.8 CCCCN(C)C(C)CC 269982a_100000207549_100000758301 [0,1,1,0,0,0|2,0,0]=4 1885 B9R0.8 CCCCN(C)C(C)CC 269982a_100000741768_100000210211 [0,1,1,0,0,0|2,0,0]=4 1886 B9R0.8 CCCCN([13CH3])C(C)CC 2230a_100000207357_200025704644 [0,1,1,0,0,0|2,0,0]=4 1887 B9R0.8 CCCCN([13CH3])C(C)CC 269982a_100000207357_200025704644 [0,1,1,0,0,0|2,0,0]=4 1888 B9R0.8 CCCNC(C)C(C)CC 269862a_100020643023_100000210599 [0,1,1,0,0,0|2,0,0]=4 1889 B9R0.8 CCCNC(C)C(C)CC 270004a_100020643023_100000210599 [0,1,1,0,0,0|2,0,0]=4 1890 B9R0.8 CCCOC(C)C(C)CC 7a_100011215189_100000210303 [0,1,1,0,0,0|2,0,0]=4 1891 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [0,1,1,0,0,0|0,0,2]=4 1892 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [0,1,1,0,0,0|0,0,2]=4 1893 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [0,1,1,0,0,0|0,0,2]=4 1894 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [0,1,1,0,0,0|0,0,2]=4 1895 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [0,1,1,0,0,0|0,0,2]=4 1896 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [0,1,1,0,0,0|0,0,2]=4 1897 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [0,1,1,0,0,0|0,0,2]=4 1898 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [0,1,1,0,0,0|0,0,2]=4 1899 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [0,1,1,0,0,0|0,0,2]=4 1900 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [0,1,1,0,0,0|0,0,2]=4 1901 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [0,1,1,0,0,0|0,0,2]=4 1902 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [0,1,1,0,0,0|0,0,2]=4 1903 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [0,1,1,0,0,0|0,0,2]=4 1904 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [0,1,1,0,0,0|1,0,0]=3 1905 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [0,1,1,0,0,0|1,0,0]=3 1906 B9R0.18 CCCCC(C)COCF 34a_100011995851_100015361967 [0,1,1,0,0,0|2,0,0]=4 1907 B9R0.18 CCCCC(C)COCF 7a_100011995851_100015361967 [0,1,1,0,0,0|2,0,0]=4 1908 B9R0.18 CCCCC(C)NCCC 2230a_100000126638_100000210303 [0,1,1,0,0,0|1,0,0]=3 1909 B9R0.18 CCCCC(C)NCCC 270004a_100020643023_100000210087 [0,1,1,0,0,0|1,0,0]=3 1910 B9R0.18 CCCCC(C)NCCF 2230a_100000126638_100011217306 [0,1,1,0,0,0|2,0,0]=4 1911 B9R0.18 CCCCC(C)NCCF 34a_100000724931_200011215066 [0,1,1,0,0,0|2,0,0]=4 1912 B9R0.18 CCCCC(C)NCCO 2230a_100000126638_100000211926 [0,1,1,0,0,0|2,0,0]=4 1913 B9R0.18 CCCCC(C)NCCO 2230a_100016997473_200011215066 [0,1,1,0,0,0|2,0,0]=4 1914 B9R0.18 CCCCC(C)NCCO 270004a_100000210304_100000210087 [0,1,1,0,0,0|2,0,0]=4 1915 B9R0.18 CCCCC(C)NCCO 34a_100016990907_200011215066 [0,1,1,0,0,0|2,0,0]=4 1916 B9R0.18 CCCCC(C)NCOC 2230a_100000126638_100000766300 [0,1,1,0,0,0|2,0,0]=4 1917 B9R0.18 CCCCC(C)NCSC 2230a_100000126638_100011218213 [0,1,1,0,0,0|2,0,0]=4 1918 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [0,1,1,0,0,0|2,0,0]=4 1919 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [0,1,1,0,0,0|1,0,0]=3 1920 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [0,1,1,0,0,0|1,0,0]=3 1921 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [0,1,1,0,0,0|1,0,0]=3 1922 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [0,1,1,0,0,0|2,0,0]=4 1923 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [0,1,1,0,0,0|2,0,0]=4 1924 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [0,1,1,0,0,0|2,0,0]=4 1925 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [0,1,1,0,0,0|2,0,0]=4 1926 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [0,1,1,0,0,0|2,0,0]=4 1927 B9R0.18 CCCCC(C)OCSC 34a_100000687866_100011218213 [0,1,1,0,0,0|2,0,0]=4 1928 B9R0.18 CCCCC(C)SCCC 62a_100000210303_200011215066 [0,1,1,0,0,0|1,0,0]=3 1929 B9R0.18 CCCCC(C)SCCC 62a_200011215066_100000210303 [0,1,1,0,0,0|1,0,0]=3 1930 B9R0.18 CCCCC(C)SCCF 62a_100011217306_200011215066 [0,1,1,0,0,0|2,0,0]=4 1931 B9R0.18 CCCCC(C)SCCF 62a_200011215066_100011217306 [0,1,1,0,0,0|2,0,0]=4 1932 B9R0.18 CCCCC(C)SCCO 62a_100000211926_200011215066 [0,1,1,0,0,0|2,0,0]=4 1933 B9R0.18 CCCCC(C)SCCO 62a_200011215066_100000211926 [0,1,1,0,0,0|2,0,0]=4 1934 B9R0.18 CCCCC(C)SCOC 62a_100000766300_200011215066 [0,1,1,0,0,0|2,0,0]=4 1935 B9R0.18 CCCCC(C)SCOC 62a_200011215066_100000766300 [0,1,1,0,0,0|2,0,0]=4 1936 B9R0.18 CCCCC(C)SCSC 62a_100011218213_200011215066 [0,1,1,0,0,0|2,0,0]=4 1937 B9R0.18 CCCCC(C)SCSC 62a_200011215066_100011218213 [0,1,1,0,0,0|2,0,0]=4 1938 B9R0.18 CCCCN(C)CCCC 2230a_100000207549_100000210211 [0,1,1,0,0,0|2,0,0]=4 1939 B9R0.18 CCCCN(C)CCCC 2230a_100000684618_200000210301 [0,1,1,0,0,0|2,0,0]=4 1940 B9R0.18 CCCCN(C)CCCC 269982a_100000207549_100000210211 [0,1,1,0,0,0|2,0,0]=4 1941 B9R0.18 CCCCN(C)CCCC 269982a_100000684618_200000210301 [0,1,1,0,0,0|2,0,0]=4 1942 B9R0.18 CCCCN(C)CCCF 2230a_100000207549_100011934791 [0,1,1,0,0,0|2,0,0]=4 1943 B9R0.18 CCCCN(C)CCCF 269982a_100000207549_100011934791 [0,1,1,0,0,0|2,0,0]=4 1944 B9R0.18 CCCCN(C)CCCO 2230a_100000207549_100000230001 [0,1,1,0,0,0|2,0,0]=4 1945 B9R0.18 CCCCN(C)CCCO 2230a_100000213112_100000210211 [0,1,1,0,0,0|2,0,0]=4 1946 B9R0.18 CCCCN(C)CCCO 269982a_100000207549_100011215043 [0,1,1,0,0,0|2,0,0]=4 1947 B9R0.18 CCCCN(C)CCCO 269982a_100000213112_100000210211 [0,1,1,0,0,0|2,0,0]=4 1948 B9R0.18 CCCCN(C)CCOC 2230a_100000207391_200000210301 [0,1,1,0,0,0|2,0,0]=4 1949 B9R0.18 CCCCN(C)CCOC 2230a_100000207549_100011201679 [0,1,1,0,0,0|2,0,0]=4 1950 B9R0.18 CCCCN(C)CCOC 2230a_100000743101_100000210211 [0,1,1,0,0,0|2,0,0]=4 1951 B9R0.18 CCCCN(C)CCOC 269982a_100000207391_200000210301 [0,1,1,0,0,0|2,0,0]=4 1952 B9R0.18 CCCCN(C)CCOC 269982a_100000207549_100000233755 [0,1,1,0,0,0|2,0,0]=4 1953 B9R0.18 CCCCN(C)CCOC 269982a_100000743101_100000210211 [0,1,1,0,0,0|2,0,0]=4 1954 B9R0.18 CCCCN(C)CCSC 2230a_100000207549_100000751147 [0,1,1,0,0,0|2,0,0]=4 1955 B9R0.18 CCCCN(C)CCSC 2230a_100000686725_100000210211 [0,1,1,0,0,0|2,0,0]=4 1956 B9R0.18 CCCCN(C)CCSC 269982a_100000207549_100000212216 [0,1,1,0,0,0|2,0,0]=4 1957 B9R0.18 CCCCN(C)CCSC 269982a_100000686725_100000210211 [0,1,1,0,0,0|2,0,0]=4 1958 B9R0.18 CCCCN(C)COCC 269982a_100000207549_100000739092 [0,1,1,0,0,0|2,0,0]=4 1959 B9R0.18 CCCCN([13CH3])CCCC 2230a_100000684618_200025704644 [0,1,1,0,0,0|2,0,0]=4 1960 B9R0.18 CCCCN([13CH3])CCCC 269982a_100000684618_200025704644 [0,1,1,0,0,0|2,0,0]=4 1961 B9R0.18 CCCCN([13CH3])CCOC 2230a_100000207391_200025704644 [0,1,1,0,0,0|2,0,0]=4 1962 B9R0.18 CCCCN([13CH3])CCOC 269982a_100000207391_200025704644 [0,1,1,0,0,0|2,0,0]=4 1963 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [0,1,1,0,0,0|1,0,0]=3 1964 B9R0.18 CCCC[C@H](N)COCF 34a_100011934283_100015361967 [0,1,1,0,0,0|2,0,0]=4 1965 B9R0.18 CCCNC(C)CCOC 270004a_100020643023_100000742357 [0,1,1,0,0,0|2,0,0]=4 1966 B9R0.18 CCCNC(C)CCSC 270004a_100020643023_100011217047 [0,1,1,0,0,0|2,0,0]=4 1967 B9R0.18 CCCNC(C)CSCC 270004a_100020643023_200011216171 [0,1,1,0,0,0|2,0,0]=4 1968 B9R0.18 CCCOC(C)CCCCl 34a_200000718107_100000210303 [0,1,1,0,0,0|2,0,0]=4 1969 B9R0.18 CCCOC(C)CCCCl 7a_200000718107_100000210303 [0,1,1,0,0,0|2,0,0]=4 1970 B9R0.18 CCCOC(C)CNCC 2230a_100015185124_100000210202 [0,1,1,0,0,0|2,0,0]=4 1971 B9R0.18 CCCOC(C)CNCC 34a_100015185124_100000210202 [0,1,1,0,0,0|2,0,0]=4 1972 B9R0.18 CCCOC(C)COCC 34a_100000718985_100000210303 [0,1,1,0,0,0|2,0,0]=4 1973 B9R0.18 CCCOC(C)COCC 7a_100000718985_100000210303 [0,1,1,0,0,0|2,0,0]=4 1974 B9R0.18 CCNCC(O)COCC 2230a_102515437182_100000210202 [0,1,1,0,0,0|1,0,0]=3 1975 B9R0.18 CCNCC(O)COCC 34a_102515437182_100000210202 [0,1,1,0,0,0|1,0,0]=3 1976 B9R0.18 CCNC[C@H](C)CCCO 2230a_100160569302_100000210202 [0,1,1,0,0,0|2,0,0]=4 1977 B9R0.18 CCNC[C@H](C)CCCO 34a_100160569302_100000210202 [0,1,1,0,0,0|2,0,0]=4 1978 B9R0.18 CCOCC(O)CNCF 34a_102515437182_100015361967 [0,1,1,0,0,0|2,0,0]=4 1979 B9R0.18 CCOC[C@@H](N)CCSC 34a_100011827619_100000210202 [0,1,1,0,0,0|2,0,0]=4 1980 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [0,1,1,0,0,0|0,0,2]=4 1981 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [0,1,1,0,0,0|0,0,2]=4 1982 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [0,1,1,0,0,0|0,0,2]=4 1983 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [0,1,1,0,0,0|0,0,2]=4 1984 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [0,1,1,0,0,0|0,0,2]=4 1985 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000210414_100011216630 [0,1,1,0,0,0|1,0,1]=4 1986 B9R0.34 CCCC(C)CC(=O)CC 1458a_100000748435_100000210202 [0,1,1,0,0,0|1,0,1]=4 1987 B9R0.34 CCCC(C)CN(C)CC 2230a_100000225621_100011216630 [0,1,1,0,0,0|2,0,0]=4 1988 B9R0.34 CCCC(C)CN(C)CC 269982a_100000225621_100011216630 [0,1,1,0,0,0|2,0,0]=4 1989 B9R0.34 CCCC(C)NC(C)CC 2230a_100000209981_100000766640 [0,1,1,0,0,0|2,0,0]=4 1990 B9R0.34 CCCC(C)NC(C)CC 2230a_100000741246_100000758301 [0,1,1,0,0,0|2,0,0]=4 1991 B9R0.34 CCCC(C)NC(C)CC 270004a_100000209981_100000211909 [0,1,1,0,0,0|2,0,0]=4 1992 B9R0.34 CCCC(C)OC(C)CC 34a_100000764384_100011215416 [0,1,1,0,0,0|2,0,0]=4 1993 B9R0.34 CCCC(C)OC(C)CC 7a_100000210228_100000766640 [0,1,1,0,0,0|2,0,0]=4 1994 B9R0.34 CCCC(C)OC(C)CC 7a_100000764384_100000758301 [0,1,1,0,0,0|2,0,0]=4 1995 B9R0.34 CCCC(C)SC(C)CC 62a_100000758301_100000766640 [0,1,1,0,0,0|2,0,0]=4 1996 B9R0.34 CCCC(C)SC(C)CC 62a_100000766640_100000758301 [0,1,1,0,0,0|2,0,0]=4 1997 B9R0.34 CCCN(C)CC(C)CC 2230a_100000747261_100000748023 [0,1,1,0,0,0|2,0,0]=4 1998 B9R0.34 CCCN(C)CC(C)CC 2230a_100000753921_100000210303 [0,1,1,0,0,0|2,0,0]=4 1999 B9R0.34 CCCN(C)CC(C)CC 269982a_100000747261_100000748023 [0,1,1,0,0,0|2,0,0]=4 2000 B9R0.34 CCCN(C)CC(C)CC 269982a_100000753921_100000210303 [0,1,1,0,0,0|2,0,0]=4 2001 B9R0.34 CCCN(C)CC(C)CC 270004a_100000747261_100000243153 [0,1,1,0,0,0|2,0,0]=4 2002 B9R0.34 CCCN(C)CC(O)CC 2230a_100000747261_100011218378 [0,1,1,0,0,0|2,0,0]=4 2003 B9R0.34 CCCN(C)CC(O)CC 269982a_100000747261_100011218378 [0,1,1,0,0,0|2,0,0]=4 2004 B9R0.34 CCCN(C)C[C@@H](C)CC 2230a_100000747261_100009816398 [0,1,1,0,0,0|2,0,0]=4 2005 B9R0.34 CCCN(C)C[C@@H](C)CC 269982a_100000747261_100009816398 [0,1,1,0,0,0|2,0,0]=4 2006 B9R0.34 CCN(C)CC(O)COC 2230a_100000739405_100000210202 [0,1,1,0,0,0|2,0,0]=4 2007 B9R0.34 CCN(C)CC(O)COC 269982a_100000739405_100000204670 [0,1,1,0,0,0|2,0,0]=4 2008 B9R0.34 CCNC(C)CC(C)CC 2230a_100000763565_100000210202 [0,1,1,0,0,0|2,0,0]=4 2009 B9R0.34 CCNC(C)CC(C)CC 270004a_100015525214_100011710205 [0,1,1,0,0,0|2,0,0]=4 2010 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [0,1,1,0,0,0|0,0,2]=4 2011 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [0,1,1,0,0,0|0,0,2]=4 2012 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [0,1,1,0,0,0|0,0,1]=3 2013 B9R0.35 CCCC(C)C(C)NCC 270004a_100015525214_100011216282 [0,1,1,0,0,0|2,0,0]=4 2014 B9R0.35 CCCC(C)C(C)OCC 34a_100000708338_100000210202 [0,1,1,0,0,0|2,0,0]=4 2015 B9R0.35 CCCC(C)C(C)OCC 7a_100000708338_100000210202 [0,1,1,0,0,0|2,0,0]=4 2016 B9R0.35 CCCC(C)N(C)CCC 2230a_100000747261_100000766640 [0,1,1,0,0,0|2,0,0]=4 2017 B9R0.35 CCCC(C)N(C)CCC 269982a_100000747261_100000766640 [0,1,1,0,0,0|2,0,0]=4 2018 B9R0.35 CCCC(C)N(C)CCC 270004a_100000747261_100000211909 [0,1,1,0,0,0|2,0,0]=4 2019 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [0,1,1,0,0,0|1,0,1]=4 2020 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,1,1,0,0,0|1,0,1]=4 2021 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [0,1,1,0,0,0|1,0,1]=4 2022 B9R0.40 C#CC(CCC)OCCC 34a_200011217317_100000210303 [0,1,1,0,0,0|2,0,0]=4 2023 B9R0.40 C#CC(CCC)OCCC 7a_200011217317_100000210303 [0,1,1,0,0,0|2,0,0]=4 2024 B9R0.40 C#CC(CCCC)OCC 34a_200011217967_100000210202 [0,1,1,0,0,0|2,0,0]=4 2025 B9R0.40 C#CC(CCCC)OCC 7a_200011217967_100000210202 [0,1,1,0,0,0|2,0,0]=4 2026 B9R0.40 C=CC(CCC)OCCC 34a_100011216692_100000210303 [0,1,1,0,0,0|2,0,0]=4 2027 B9R0.40 C=CC(CCC)OCCC 7a_100011216692_100000210303 [0,1,1,0,0,0|2,0,0]=4 2028 B9R0.40 C=CC(CCCC)OCC 34a_200011215037_100000210202 [0,1,1,0,0,0|2,0,0]=4 2029 B9R0.40 C=CC(CCCC)OCC 7a_200011215037_100000210202 [0,1,1,0,0,0|2,0,0]=4 2030 B9R0.40 C=CCC(CCCC)OC 34a_200011216941_200000210301 [0,1,1,0,0,0|0,0,2]=4 2031 B9R0.40 C=CCC(CCCC)OC 7a_200011216941_200000210301 [0,1,1,0,0,0|0,0,2]=4 2032 B9R0.40 C=CCC(CCCC)O[13CH3] 34a_200011216941_200025704644 [0,1,1,0,0,0|0,0,2]=4 2033 B9R0.40 C=CCC(CCCC)O[13CH3] 7a_200011216941_200025704644 [0,1,1,0,0,0|0,0,2]=4 2034 B9R0.40 CCCC(CCOC)SC 34a_100000032865_200000210301 [0,1,1,0,0,0|1,1,0]=4 2035 B9R0.40 CCCC(CCOC)SC 7a_100000032865_200000210301 [0,1,1,0,0,0|1,1,0]=4 2036 B9R0.40 CCCC(CCO[13CH3])SC 34a_100000032865_200025704644 [0,1,1,0,0,0|1,1,0]=4 2037 B9R0.40 CCCC(CCO[13CH3])SC 7a_100000032865_200025704644 [0,1,1,0,0,0|1,1,0]=4 2038 B9R0.40 CCCCC(CC)CNC 2230a_100000209976_200000210301 [0,1,1,0,0,0|2,0,0]=4 2039 B9R0.40 CCCCC(CC)CNC 2230a_106832991635_100000211942 [0,1,1,0,0,0|2,0,0]=4 2040 B9R0.40 CCCCC(CC)CNC 269862a_106832991636_100011219736 [0,1,1,0,0,0|2,0,0]=4 2041 B9R0.40 CCCCC(CC)CNC 270004a_106832991635_100011219736 [0,1,1,0,0,0|2,0,0]=4 2042 B9R0.40 CCCCC(CC)CNC 34a_100102657272_100000211942 [0,1,1,0,0,0|2,0,0]=4 2043 B9R0.40 CCCCC(CC)CNC 7a_106832991635_100000211942 [0,1,1,0,0,0|2,0,0]=4 2044 B9R0.40 CCCCC(CC)CN[13CH3] 2230a_100000209976_200025704644 [0,1,1,0,0,0|2,0,0]=4 2045 B9R0.40 CCCCC(CC)COC 34a_100000210273_200000210301 [0,1,1,0,0,0|2,0,0]=4 2046 B9R0.40 CCCCC(CC)COC 34a_100138415774_100000211942 [0,1,1,0,0,0|2,0,0]=4 2047 B9R0.40 CCCCC(CC)COC 7a_100000210273_200000210301 [0,1,1,0,0,0|2,0,0]=4 2048 B9R0.40 CCCCC(CC)CO[13CH3] 34a_100000210273_200025704644 [0,1,1,0,0,0|2,0,0]=4 2049 B9R0.40 CCCCC(CC)CO[13CH3] 7a_100000210273_200025704644 [0,1,1,0,0,0|2,0,0]=4 2050 B9R0.40 CCCCC(CC)CSC 62a_100000211942_200000210301 [0,1,1,0,0,0|2,0,0]=4 2051 B9R0.40 CCCCC(CC)CSC 62a_200000210301_100000211942 [0,1,1,0,0,0|2,0,0]=4 2052 B9R0.40 CCCCC(CC)CS[13CH3] 62a_100000211942_200025704644 [0,1,1,0,0,0|2,0,0]=4 2053 B9R0.40 CCCCC(CC)CS[13CH3] 62a_200025704644_100000211942 [0,1,1,0,0,0|2,0,0]=4 2054 B9R0.40 CCCCC(CC)NCC 270004a_100015525214_100000753412 [0,1,1,0,0,0|2,0,0]=4 2055 B9R0.40 CCCCC(CC)OCC 34a_100011215227_100000210202 [0,1,1,0,0,0|2,0,0]=4 2056 B9R0.40 CCCCC(CC)OCC 34a_100121572206_200011216223 [0,1,1,0,0,0|2,0,0]=4 2057 B9R0.40 CCCCC(CC)OCC 7a_100011215227_100000210202 [0,1,1,0,0,0|2,0,0]=4 2058 B9R0.40 CCCCC(CC)SCC 62a_100000210202_200011216223 [0,1,1,0,0,0|2,0,0]=4 2059 B9R0.40 CCCCC(CC)SCC 62a_200011216223_100000210202 [0,1,1,0,0,0|2,0,0]=4 2060 B9R0.40 CCCCC(CCC)NC 34a_100102657272_100000211913 [0,1,1,0,0,0|1,0,0]=3 2061 B9R0.40 CCCCC(CCC)NC 7a_106832991635_100000211913 [0,1,1,0,0,0|1,0,0]=3 2062 B9R0.40 CCCCC(CCC)OC 34a_100011215800_200000210301 [0,1,1,0,0,0|0,0,0]=2 2063 B9R0.40 CCCCC(CCC)OC 34a_100138415774_100000211913 [0,1,1,0,0,0|0,0,0]=2 2064 B9R0.40 CCCCC(CCC)OC 7a_100011215800_200000210301 [0,1,1,0,0,0|0,0,0]=2 2065 B9R0.40 CCCCC(CCC)O[13CH3] 34a_100011215800_200025704644 [0,1,1,0,0,0|0,0,0]=2 2066 B9R0.40 CCCCC(CCC)O[13CH3] 7a_100011215800_200025704644 [0,1,1,0,0,0|0,0,0]=2 2067 B9R0.40 CCCCC(CCC)SC 62a_100000211913_200000210301 [0,1,1,0,0,0|0,1,0]=3 2068 B9R0.40 CCCCC(CCC)SC 62a_200000210301_100000211913 [0,1,1,0,0,0|0,1,0]=3 2069 B9R0.40 CCCCC(CCC)S[13CH3] 62a_100000211913_200025704644 [0,1,1,0,0,0|0,1,0]=3 2070 B9R0.40 CCCCC(CCC)S[13CH3] 62a_200025704644_100000211913 [0,1,1,0,0,0|0,1,0]=3 2071 B9R0.40 CCCCN(CC)CCC 2230a_100000207695_100000210303 [0,1,1,0,0,0|2,0,0]=4 2072 B9R0.40 CCCCN(CC)CCC 2230a_100000226822_100000210211 [0,1,1,0,0,0|2,0,0]=4 2073 B9R0.40 CCCCN(CC)CCC 2230a_200000207744_100000210202 [0,1,1,0,0,0|2,0,0]=4 2074 B9R0.40 CCCCN(CC)CCC 269982a_100000207695_100000210303 [0,1,1,0,0,0|2,0,0]=4 2075 B9R0.40 CCCCN(CC)CCC 269982a_100000226822_100000210211 [0,1,1,0,0,0|2,0,0]=4 2076 B9R0.40 CCCCN(CC)CCC 269982a_200000207744_100000204670 [0,1,1,0,0,0|2,0,0]=4 2077 B9R0.40 CCCCN(CF)CCC 269982a_200000207744_100015361967 [0,1,1,0,0,0|2,0,0]=4 2078 B9R0.40 CCCC[C@@H](CO)NCC 2230a_100011934283_100000210202 [0,1,1,0,0,0|1,0,0]=3 2079 B9R0.40 CCCC[C@@H](CO)NCC 34a_100011934283_100000210202 [0,1,1,0,0,0|1,0,0]=3 2080 B9R0.40 CCCC[C@@H](CO)NCF 34a_100011934283_100015361967 [0,1,1,0,0,0|2,0,0]=4 2081 B9R0.40 CCCNC(CC)CCC 2230a_100000747048_100000210303 [0,1,1,0,0,0|2,0,0]=4 2082 B9R0.40 CCCNC(CC)CCC 270004a_100020643023_100000687865 [0,1,1,0,0,0|2,0,0]=4 2083 B9R0.40 CCCNC(CO)COC 2230a_100000724102_100000210303 [0,1,1,0,0,0|2,0,0]=4 2084 B9R0.40 CCCNC(CO)COC 34a_100000724102_100000210303 [0,1,1,0,0,0|2,0,0]=4 2085 B9R0.40 CCCN[C@H](CO)CCC 2230a_100000732646_100000210303 [0,1,1,0,0,0|1,0,0]=3 2086 B9R0.40 CCCN[C@H](CO)CCC 34a_100000732646_100000210303 [0,1,1,0,0,0|1,0,0]=3 2087 B9R0.40 CCCOC(C#N)CCC 34a_100000686963_100000210303 [0,1,1,0,0,0|2,0,0]=4 2088 B9R0.40 CCCOC(C#N)CCC 7a_100000686963_100000210303 [0,1,1,0,0,0|2,0,0]=4 2089 B9R0.40 CCCOC(CC)CCC 34a_100000687864_100000210303 [0,1,1,0,0,0|2,0,0]=4 2090 B9R0.40 CCCOC(CC)CCC 7a_100000687864_100000210303 [0,1,1,0,0,0|2,0,0]=4 2091 B9R0.40 CCCSC(CC)CCC 62a_100000210303_100011219200 [0,1,1,0,0,0|2,0,0]=4 2092 B9R0.40 CCCSC(CC)CCC 62a_100011219200_100000210303 [0,1,1,0,0,0|2,0,0]=4 2093 B9R0.40 CCC[C@@H](CO)NCCF 2230a_100000732646_100011217306 [0,1,1,0,0,0|2,0,0]=4 2094 B9R0.40 CCC[C@@H](CO)NCCF 34a_100000732646_100011217306 [0,1,1,0,0,0|2,0,0]=4 2095 B9R0.40 CCC[C@@H](CO)NCCO 2230a_100000732646_100000211926 [0,1,1,0,0,0|2,0,0]=4 2096 B9R0.40 CCC[C@@H](CO)NCCO 34a_100000732646_100000211926 [0,1,1,0,0,0|2,0,0]=4 2097 B9R0.40 CCC[C@@H](CO)NCOC 2230a_100000732646_100000766300 [0,1,1,0,0,0|2,0,0]=4 2098 B9R0.40 CCC[C@@H](CO)NCSC 2230a_100000732646_100011218213 [0,1,1,0,0,0|2,0,0]=4 2099 B9R0.40 CCC[C@@H](CO)NCSC 34a_100000732646_100011218213 [0,1,1,0,0,0|2,0,0]=4 2100 B9R0.40 CCN[C@H](CO)CCSC 2230a_100011827619_100000210202 [0,1,1,0,0,0|2,0,0]=4 2101 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [0,1,1,0,0,0|0,0,2]=4 2102 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [0,1,1,0,0,0|0,0,2]=4 2103 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,1,1,0,0,0|0,0,2]=4 2104 B9R0.48 CCCC(C)CNC(C)C 2230a_100138425928_100011216630 [0,1,1,0,0,0|2,0,0]=4 2105 B9R0.48 CCCC(C)CNC(C)C 34a_100138425928_100011216630 [0,1,1,0,0,0|2,0,0]=4 2106 B9R0.48 CCCC(C)COC(C)C 34a_100000212225_100011216630 [0,1,1,0,0,0|2,0,0]=4 2107 B9R0.48 CCCC(C)COC(C)C 34a_100000688023_100000210206 [0,1,1,0,0,0|2,0,0]=4 2108 B9R0.48 CCCC(C)COC(C)C 7a_100000688023_100000210206 [0,1,1,0,0,0|2,0,0]=4 2109 B9R0.48 CCCC(C)CSC(C)C 62a_100000210206_100011216630 [0,1,1,0,0,0|2,0,0]=4 2110 B9R0.48 CCCC(C)CSC(C)C 62a_100011216630_100000210206 [0,1,1,0,0,0|2,0,0]=4 2111 B9R0.48 CCCC(C)NCC(C)C 2230a_100000210953_100000766640 [0,1,1,0,0,0|2,0,0]=4 2112 B9R0.48 CCCC(C)NCC(C)C 2230a_100000741246_100000210760 [0,1,1,0,0,0|2,0,0]=4 2113 B9R0.48 CCCC(C)NCC(C)C 270004a_100000210953_100000211909 [0,1,1,0,0,0|2,0,0]=4 2114 B9R0.48 CCCC(C)NCC(C)C 270004a_100000741246_100000210432 [0,1,1,0,0,0|2,0,0]=4 2115 B9R0.48 CCCC(C)NCC(C)C 34a_100000210953_100000766640 [0,1,1,0,0,0|2,0,0]=4 2116 B9R0.48 CCCC(C)NCC(C)O 2230a_100000210904_100000766640 [0,1,1,0,0,0|2,0,0]=4 2117 B9R0.48 CCCC(C)NCC(C)O 2230a_100000741246_100011218427 [0,1,1,0,0,0|2,0,0]=4 2118 B9R0.48 CCCC(C)NCC(C)O 270004a_100000210904_100000211909 [0,1,1,0,0,0|2,0,0]=4 2119 B9R0.48 CCCC(C)NCC(C)O 34a_100000210904_100000766640 [0,1,1,0,0,0|2,0,0]=4 2120 B9R0.48 CCCC(C)NC[C@@H](C)O 2230a_100000741246_100009817552 [0,1,1,0,0,0|2,0,0]=4 2121 B9R0.48 CCCC(C)OCC(C)Br 34a_100012180447_100000766640 [0,1,1,0,0,0|2,0,0]=4 2122 B9R0.48 CCCC(C)OCC(C)C 34a_100000210257_100000766640 [0,1,1,0,0,0|2,0,0]=4 2123 B9R0.48 CCCC(C)OCC(C)C 34a_100000764384_100000210624 [0,1,1,0,0,0|2,0,0]=4 2124 B9R0.48 CCCC(C)OCC(C)C 7a_100000764384_100000210760 [0,1,1,0,0,0|2,0,0]=4 2125 B9R0.48 CCCC(C)OCC(C)F 34a_100015925927_100000766640 [0,1,1,0,0,0|2,0,0]=4 2126 B9R0.48 CCCC(C)OCC(C)O 34a_100000764384_100011218427 [0,1,1,0,0,0|2,0,0]=4 2127 B9R0.48 CCCC(C)OCC(C)O 7a_100000764384_100011218427 [0,1,1,0,0,0|2,0,0]=4 2128 B9R0.48 CCCC(C)OC[C@@H](C)Cl 34a_100016084084_100000766640 [0,1,1,0,0,0|2,0,0]=4 2129 B9R0.48 CCCC(C)OC[C@@H](C)N 34a_100000737577_100000766640 [0,1,1,0,0,0|2,0,0]=4 2130 B9R0.48 CCCC(C)OC[C@@H](C)O 34a_100000764384_100009817552 [0,1,1,0,0,0|2,0,0]=4 2131 B9R0.48 CCCC(C)OC[C@@H](C)O 7a_100000764384_100009817552 [0,1,1,0,0,0|2,0,0]=4 2132 B9R0.48 CCCC(C)SCC(C)C 62a_100000210624_100000766640 [0,1,1,0,0,0|2,0,0]=4 2133 B9R0.48 CCCC(C)SCC(C)C 62a_100000766640_100000210760 [0,1,1,0,0,0|2,0,0]=4 2134 B9R0.48 CCCC(C)SCC(C)O 62a_100000766640_100011218427 [0,1,1,0,0,0|2,0,0]=4 2135 B9R0.48 CCCC(C)SCC(C)O 62a_100011218427_100000766640 [0,1,1,0,0,0|2,0,0]=4 2136 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100000766640_100009817552 [0,1,1,0,0,0|2,0,0]=4 2137 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100009817552_100000766640 [0,1,1,0,0,0|2,0,0]=4 2138 B9R0.48 CCCN(C)CCC(C)C 2230a_100000742789_100000210303 [0,1,1,0,0,0|2,0,0]=4 2139 B9R0.48 CCCN(C)CCC(C)C 2230a_100000747261_100000210312 [0,1,1,0,0,0|2,0,0]=4 2140 B9R0.48 CCCN(C)CCC(C)C 269982a_100000742789_100000210303 [0,1,1,0,0,0|2,0,0]=4 2141 B9R0.48 CCCN(C)CCC(C)C 269982a_100000747261_100000210312 [0,1,1,0,0,0|2,0,0]=4 2142 B9R0.48 CCCN(C)CCC(C)O 2230a_100000747261_100012276601 [0,1,1,0,0,0|2,0,0]=4 2143 B9R0.48 CCCN(C)CCC(C)O 269982a_100000747261_100012276601 [0,1,1,0,0,0|2,0,0]=4 2144 B9R0.48 CCC[C@H](N)COC(C)C 34a_100000732646_100000210206 [0,1,1,0,0,0|2,0,0]=4 2145 B9R0.48 CCNC(C)CCC(C)C 2230a_100015525214_100011261404 [0,1,1,0,0,0|2,0,0]=4 2146 B9R0.48 CCNC(C)CCC(C)C 2230a_100138410893_100000210202 [0,1,1,0,0,0|2,0,0]=4 2147 B9R0.48 CCNC(C)CCC(C)C 270004a_100015525214_100000210476 [0,1,1,0,0,0|2,0,0]=4 2148 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,1,1,0,0,0|2,0,0]=4 2149 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,1,1,0,0,0|2,0,0]=4 2150 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,1,1,0,0,0|2,0,0]=4 2151 B9R0.48 CCSC(C)CCC(C)C 62a_100000210202_100011261404 [0,1,1,0,0,0|2,0,0]=4 2152 B9R0.48 CCSC(C)CCC(C)C 62a_100011261404_100000210202 [0,1,1,0,0,0|2,0,0]=4 2153 B9R0.48 COCC(O)CNC(C)C 2230a_100000756049_100000210206 [0,1,1,0,0,0|2,0,0]=4 2154 B9R0.48 COCC(O)CNC(C)C 34a_100000756049_100000210206 [0,1,1,0,0,0|2,0,0]=4 2155 B9R0.48 COCC(O)CNC(C)C 34a_100138425928_100011215053 [0,1,1,0,0,0|2,0,0]=4 2156 B9R0.48 COCC(O)COC(C)C 34a_100000212225_100011215053 [0,1,1,0,0,0|2,0,0]=4 2157 B9R0.48 COCC(O)CSC(C)C 62a_100000210206_100011215053 [0,1,1,0,0,0|2,0,0]=4 2158 B9R0.48 COCC(O)CSC(C)C 62a_100011215053_100000210206 [0,1,1,0,0,0|2,0,0]=4 2159 B9R0.66 CCCC(C)(C)COCC 7a_100011995695_100000210202 [0,1,1,0,0,0|2,0,0]=4 2160 B9R0.66 CCCCC(C)(C)COC 7a_200011995781_200000210301 [0,1,1,0,0,0|2,0,0]=4 2161 B9R0.66 CCCCC(C)(C)CO[13CH3] 7a_200011995781_200025704644 [0,1,1,0,0,0|2,0,0]=4 2162 B9R0.66 CCCCC(C)(C)OCC 7a_100011219641_100000210202 [0,1,1,0,0,0|2,0,0]=4 2163 B9R0.66 CCCOC(C)(C)CCC 7a_100000748436_100000210303 [0,1,1,0,0,0|2,0,0]=4 2164 B9R0.6 CC(=O)C(C)N(C)CCO 2230a_100000210263_100009814033 [0,1,1,0,0,0|1,0,1]=4 2165 B9R0.6 CC(=O)C(C)N(C)CCO 269982a_100000210263_100009814033 [0,1,1,0,0,0|1,0,1]=4 2166 B9R0.6 CC(=O)N(C)C(C)CCO 240690a_100000731037_100015343762 [0,1,1,0,0,0|1,0,1]=4 2167 B9R0.6 CC(=O)N(C)C(C)CCO 527a_100000731037_100103153847 [0,1,1,0,0,0|1,0,1]=4 2168 B9R0.6 CC(C)C(=O)C(C)CCO 1458a_100000210198_100009893172 [0,1,1,0,0,0|1,0,1]=4 2169 B9R0.6 CC(C)C(C)C(=O)CCO 1458a_100000755409_100000211926 [0,1,1,0,0,0|1,0,1]=4 2170 B9R0.6 CC(C)C(C)N(C)CCF 2230a_100000228512_100011217306 [0,1,1,0,0,0|2,0,0]=4 2171 B9R0.6 CC(C)C(C)N(C)CCF 269982a_100000228512_100011217306 [0,1,1,0,0,0|2,0,0]=4 2172 B9R0.6 CC(C)C(C)N(C)CCO 2230a_100000228512_100000211926 [0,1,1,0,0,0|1,0,0]=3 2173 B9R0.6 CC(C)C(C)N(C)CCO 269982a_100000228512_100000211926 [0,1,1,0,0,0|1,0,0]=3 2174 B9R0.6 CC(C)N(C)C(C)CCO 2230a_100000731037_100000210206 [0,1,1,0,0,0|1,0,0]=3 2175 B9R0.6 CC(C)N(C)C(C)CCO 269982a_100000731037_100000210206 [0,1,1,0,0,0|1,0,0]=3 2176 B9R0.6 CC(C)N(C)C(C)CCO 269982a_200000211004_100009893172 [0,1,1,0,0,0|1,0,0]=3 2177 B9R0.6 CC(CCO)C(=O)[C@@H](C)O 1458a_100000717761_100009893172 [0,1,1,0,0,0|1,0,1]=4 2178 B9R0.6 CC(CCO)C(=O)[C@H](C)O 1458a_217856618621_100009893172 [0,1,1,0,0,0|1,0,1]=4 2179 B9R0.6 CC(F)C(=O)C(C)CCO 1458a_100000062450_100009893172 [0,1,1,0,0,0|1,0,1]=4 2180 B9R0.6 CCCC(C)C(C)N(C)C 270004a_100102631434_100011216282 [0,1,1,0,0,0|2,0,0]=4 2181 B9R0.6 CCCC(C)N(C)C(C)C 269982a_200000211004_100000766640 [0,1,1,0,0,0|2,0,0]=4 2182 B9R0.6 CCCC(C)N(C)C(C)C 270004a_200000211004_100000211909 [0,1,1,0,0,0|2,0,0]=4 2183 B9R0.6 CCCN(C)C(C)C(C)C 2230a_100000228512_100000210303 [0,1,1,0,0,0|2,0,0]=4 2184 B9R0.6 CCCN(C)C(C)C(C)C 2230a_200015185082_200000210301 [0,1,1,0,0,0|2,0,0]=4 2185 B9R0.6 CCCN(C)C(C)C(C)C 269982a_100000228512_100000210303 [0,1,1,0,0,0|2,0,0]=4 2186 B9R0.6 CCCN(C)C(C)C(C)C 269982a_200015185082_200000210301 [0,1,1,0,0,0|2,0,0]=4 2187 B9R0.6 CCCN([13CH3])C(C)C(C)C 2230a_200015185082_200025704644 [0,1,1,0,0,0|2,0,0]=4 2188 B9R0.6 CCCN([13CH3])C(C)C(C)C 269982a_200015185082_200025704644 [0,1,1,0,0,0|2,0,0]=4 2189 B9R0.12 CCC(C)N(CC)CCF 2230a_100000732650_100011217306 [0,1,1,0,0,0|2,0,0]=4 2190 B9R0.12 CCC(C)N(CC)CCF 269982a_100000732650_100011217306 [0,1,1,0,0,0|2,0,0]=4 2191 B9R0.12 CCC(C)N(CC)CCO 2230a_100000210973_100000758301 [0,1,1,0,0,0|1,0,0]=3 2192 B9R0.12 CCC(C)N(CC)CCO 2230a_100000732650_100000211926 [0,1,1,0,0,0|1,0,0]=3 2193 B9R0.12 CCC(C)N(CC)CCO 269982a_100000210973_100000758301 [0,1,1,0,0,0|1,0,0]=3 2194 B9R0.12 CCC(C)N(CC)CCO 269982a_100000732650_100000211926 [0,1,1,0,0,0|1,0,0]=3 2195 B9R0.12 CCCC(CC)N(C)CC 269982a_100000225621_100011219200 [0,1,1,0,0,0|2,0,0]=4 2196 B9R0.12 CCCC(NC)C(C)CC 270004a_106832991635_100011218362 [0,1,1,0,0,0|1,0,0]=3 2197 B9R0.12 CCCC(OC)C(C)CC 34a_100011215975_200000210301 [0,1,1,0,0,0|1,0,0]=3 2198 B9R0.12 CCCC(OC)C(C)CC 7a_100011215975_200000210301 [0,1,1,0,0,0|1,0,0]=3 2199 B9R0.12 CCCC(O[13CH3])C(C)CC 34a_100011215975_200025704644 [0,1,1,0,0,0|1,0,0]=3 2200 B9R0.12 CCCC(O[13CH3])C(C)CC 7a_100011215975_200025704644 [0,1,1,0,0,0|1,0,0]=3 2201 B9R0.12 CCCN(CC)C(C)CC 2230a_100000226822_100000758301 [0,1,1,0,0,0|2,0,0]=4 2202 B9R0.12 CCCN(CC)C(C)CC 2230a_100000732650_100000210303 [0,1,1,0,0,0|2,0,0]=4 2203 B9R0.12 CCCN(CC)C(C)CC 2230a_200011216551_100000210202 [0,1,1,0,0,0|2,0,0]=4 2204 B9R0.12 CCCN(CC)C(C)CC 269982a_100000226822_100000758301 [0,1,1,0,0,0|2,0,0]=4 2205 B9R0.12 CCCN(CC)C(C)CC 269982a_100000732650_100000210303 [0,1,1,0,0,0|2,0,0]=4 2206 B9R0.12 CCCN(CC)C(C)CC 269982a_200011216551_100000204670 [0,1,1,0,0,0|2,0,0]=4 2207 B9R0.12 CCCN(CF)C(C)CC 269982a_200011216551_100015361967 [0,1,1,0,0,0|2,0,0]=4 2208 B9R0.12 CCN(CCO)C(C)CO 2230a_100000210973_100012180447 [0,1,1,0,0,0|2,0,0]=4 2209 B9R0.12 CCN(CCO)C(C)CO 2230a_100000731049_100000211926 [0,1,1,0,0,0|2,0,0]=4 2210 B9R0.12 CCN(CCO)C(C)CO 269982a_100000731049_100000211926 [0,1,1,0,0,0|2,0,0]=4 2211 B9R0.12 CCN(CCO)C(C)OC 269982a_100000210973_100009879195 [0,1,1,0,0,0|2,0,0]=4 2212 B9R0.12 CCN(CCO)[C@H](C)CO 269982a_100000210973_100016084084 [0,1,1,0,0,0|2,0,0]=4 2213 B9R0.12 CCN[C@H](CO)[C@@H](C)CC 2230a_100011827617_100000210202 [0,1,1,0,0,0|2,0,0]=4 2214 B9R0.19 CCC(C)(C)C(=O)CCO 1458a_100000749717_100000211926 [0,1,1,0,0,0|1,0,1]=4 2215 B9R0.19 CCC(C)(C)N(C)CCF 2230a_200000755171_100011217306 [0,1,1,0,0,0|2,0,0]=4 2216 B9R0.19 CCC(C)(C)N(C)CCF 269982a_200000755171_100011217306 [0,1,1,0,0,0|2,0,0]=4 2217 B9R0.19 CCC(C)(C)N(C)CCO 2230a_200000755171_100000211926 [0,1,1,0,0,0|1,0,0]=3 2218 B9R0.19 CCC(C)(C)N(C)CCO 269982a_100000210263_100000032637 [0,1,1,0,0,0|1,0,0]=3 2219 B9R0.19 CCC(C)(C)N(C)CCO 269982a_200000755171_100000211926 [0,1,1,0,0,0|1,0,0]=3 2220 B9R0.19 CCC(C)(O)C(=O)CCO 1458a_100011219770_100000211926 [0,1,1,0,0,0|1,0,1]=4 2221 B9R0.19 CCCC(C)C(C)(C)OC 7a_200011218223_200000210301 [0,1,1,0,0,0|2,0,0]=4 2222 B9R0.19 CCCC(C)C(C)(C)O[13CH3] 7a_200011218223_200025704644 [0,1,1,0,0,0|2,0,0]=4 2223 B9R0.19 CCCN(C)C(C)(C)CC 2230a_200000755171_100000210303 [0,1,1,0,0,0|2,0,0]=4 2224 B9R0.19 CCCN(C)C(C)(C)CC 269982a_100000747261_100000032637 [0,1,1,0,0,0|2,0,0]=4 2225 B9R0.19 CCCN(C)C(C)(C)CC 269982a_200000755171_100000210303 [0,1,1,0,0,0|2,0,0]=4 2226 B9R0.19 CN(CCO)C(C)(C)CO 269982a_100015204102_100000211926 [0,1,1,0,0,0|2,0,0]=4 2227 B9R0.23 CC(CO)N(C)C[C@@H](C)O 2230a_100000693034_100009817552 [0,1,1,0,0,0|2,0,0]=4 2228 B9R0.23 CC(CO)N(C)C[C@@H](C)O 269982a_100000693034_100009817552 [0,1,1,0,0,0|2,0,0]=4 2229 B9R0.23 CC(O)CN(C)C(C)CO 2230a_100000227577_100012180447 [0,1,1,0,0,0|2,0,0]=4 2230 B9R0.23 CC(O)CN(C)C(C)CO 2230a_100000693034_100011218427 [0,1,1,0,0,0|2,0,0]=4 2231 B9R0.23 CC(O)CN(C)C(C)CO 269982a_100000693034_100011218427 [0,1,1,0,0,0|2,0,0]=4 2232 B9R0.23 CC(O)CN(C)[C@H](C)CO 269982a_100000227577_100016084084 [0,1,1,0,0,0|2,0,0]=4 2233 B9R0.23 CCC(C)C(=O)CC(C)O 1458a_100011192722_100011218427 [0,1,1,0,0,0|1,0,1]=4 2234 B9R0.23 CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000758301 [0,1,1,0,0,0|1,0,1]=4 2235 B9R0.23 CCC(C)C(C)OC(C)C 7a_100011215189_100000210206 [0,1,1,0,0,0|2,0,0]=4 2236 B9R0.23 CCC(C)N(C)CC(=O)O 269956a_100000746989_100000758301 [0,1,1,0,0,0|1,0,1]=4 2237 B9R0.23 CCC(C)N(C)CC(C)C 2230a_100000741768_100000210760 [0,1,1,0,0,0|2,0,0]=4 2238 B9R0.23 CCC(C)N(C)CC(C)C 2230a_100000747067_100000758301 [0,1,1,0,0,0|2,0,0]=4 2239 B9R0.23 CCC(C)N(C)CC(C)C 269982a_100000741768_100000210624 [0,1,1,0,0,0|2,0,0]=4 2240 B9R0.23 CCC(C)N(C)CC(C)C 269982a_100000747067_100000758301 [0,1,1,0,0,0|2,0,0]=4 2241 B9R0.23 CCC(C)N(C)CC(C)C 270004a_100000741768_100000210432 [0,1,1,0,0,0|2,0,0]=4 2242 B9R0.23 CCC(C)N(C)CC(C)O 2230a_100000227577_100000758301 [0,1,1,0,0,0|1,0,0]=3 2243 B9R0.23 CCC(C)N(C)CC(C)O 2230a_100000741768_100011218427 [0,1,1,0,0,0|1,0,0]=3 2244 B9R0.23 CCC(C)N(C)CC(C)O 269982a_100000227577_100000758301 [0,1,1,0,0,0|1,0,0]=3 2245 B9R0.23 CCC(C)N(C)CC(C)O 269982a_100000741768_100011218427 [0,1,1,0,0,0|1,0,0]=3 2246 B9R0.23 CCC(C)N(C)CC(F)F 2230a_100000741768_100011934356 [0,1,1,0,0,0|2,0,0]=4 2247 B9R0.23 CCC(C)N(C)CC(F)F 269982a_100000741768_100011934356 [0,1,1,0,0,0|2,0,0]=4 2248 B9R0.23 CCC(C)N(C)C[C@@H](C)O 2230a_100000741768_100009817552 [0,1,1,0,0,0|1,0,0]=3 2249 B9R0.23 CCC(C)N(C)C[C@@H](C)O 269982a_100000741768_100009817552 [0,1,1,0,0,0|1,0,0]=3 2250 B9R0.23 CCN(C)C(C)CC(C)C 2230a_100000225621_100000731052 [0,1,1,0,0,0|2,0,0]=4 2251 B9R0.23 CCN(C)C(C)CC(C)C 2230a_100000745462_100000210202 [0,1,1,0,0,0|2,0,0]=4 2252 B9R0.23 CCN(C)C(C)CC(C)C 269982a_100000225621_100000731052 [0,1,1,0,0,0|2,0,0]=4 2253 B9R0.23 CCN(C)C(C)CC(C)C 269982a_100000745462_100000204670 [0,1,1,0,0,0|2,0,0]=4 2254 B9R0.23 COC(C)N(C)CC(C)O 269982a_100000227577_100009879195 [0,1,1,0,0,0|2,0,0]=4 2255 B9R0.27 CC(CO)N(C)C(C)CO 2230a_100000693034_100012180447 [0,1,1,0,0,0|2,0,0]=4 2256 B9R0.27 CC(CO)N(C)[C@H](C)CO 269982a_100000693034_100016084084 [0,1,1,0,0,0|2,0,0]=4 2257 B9R0.27 CCC(C)C(=O)C(O)CO 1458a_100011215603_100000758301 [0,1,1,0,0,0|1,0,1]=4 2258 B9R0.27 CCC(C)C(C)C(C)OC 7a_200011290770_200000210301 [0,1,1,0,0,0|2,0,0]=4 2259 B9R0.27 CCC(C)C(C)C(C)O[13CH3] 7a_200011290770_200025704644 [0,1,1,0,0,0|2,0,0]=4 2260 B9R0.27 CCC(C)N(C)C(=O)CO 240690a_100000741768_100000210174 [0,1,1,0,0,0|1,0,1]=4 2261 B9R0.27 CCC(C)N(C)C(=O)CO 527a_100000741768_100000210174 [0,1,1,0,0,0|1,0,1]=4 2262 B9R0.27 CCC(C)N(C)C(C)CC 2230a_100000741768_100000758301 [0,1,1,0,0,0|2,0,0]=4 2263 B9R0.27 CCC(C)N(C)C(C)CC 269982a_100000210998_200000210301 [0,1,1,0,0,0|2,0,0]=4 2264 B9R0.27 CCC(C)N(C)C(C)CC 269982a_100000741768_100000758301 [0,1,1,0,0,0|2,0,0]=4 2265 B9R0.27 CCC(C)N(C)C(C)CO 2230a_100000693034_100000758301 [0,1,1,0,0,0|1,0,0]=3 2266 B9R0.27 CCC(C)N(C)C(C)CO 2230a_100000741768_100012180447 [0,1,1,0,0,0|1,0,0]=3 2267 B9R0.27 CCC(C)N(C)C(C)CO 269982a_100000693034_100000758301 [0,1,1,0,0,0|1,0,0]=3 2268 B9R0.27 CCC(C)N(C)[C@H](C)CO 269982a_100000741768_100016084084 [0,1,1,0,0,0|1,0,0]=3 2269 B9R0.27 CCC(C)N([13CH3])C(C)CC 269982a_100000210998_200025704644 [0,1,1,0,0,0|2,0,0]=4 2270 B9R0.27 COC(C)N(C)C(C)CO 269982a_100000693034_100009879195 [0,1,1,0,0,0|2,0,0]=4 2271 B9R0.37 CCC(CC)C(=O)CCO 1458a_100000211163_100000211926 [0,1,1,0,0,0|1,0,1]=4 2272 B9R0.37 CCC(CC)C(=O)CCO 1458a_100011216618_100000210505 [0,1,1,0,0,0|1,0,1]=4 2273 B9R0.37 CCC(CC)N(C)CCF 2230a_100000737045_100011217306 [0,1,1,0,0,0|2,0,0]=4 2274 B9R0.37 CCC(CC)N(C)CCF 269982a_100000737045_100011217306 [0,1,1,0,0,0|2,0,0]=4 2275 B9R0.37 CCC(CC)N(C)CCO 2230a_100000737045_100000211926 [0,1,1,0,0,0|1,0,0]=3 2276 B9R0.37 CCC(CC)N(C)CCO 269982a_100000210263_100000210505 [0,1,1,0,0,0|1,0,0]=3 2277 B9R0.37 CCC(CC)N(C)CCO 269982a_100000737045_100000211926 [0,1,1,0,0,0|1,0,0]=3 2278 B9R0.37 CCC(CC)N(C)CCO 270004a_100000210263_100000210860 [0,1,1,0,0,0|1,0,0]=3 2279 B9R0.37 CCC(OC)C(=O)CCO 1458a_100000747056_100000211926 [0,1,1,0,0,0|1,0,1]=4 2280 B9R0.37 CCCC(C)C(CC)OC 34a_200011218412_200000210301 [0,1,1,0,0,0|1,0,0]=3 2281 B9R0.37 CCCC(C)C(CC)OC 7a_200011218412_200000210301 [0,1,1,0,0,0|1,0,0]=3 2282 B9R0.37 CCCC(C)C(CC)O[13CH3] 34a_200011218412_200025704644 [0,1,1,0,0,0|1,0,0]=3 2283 B9R0.37 CCCC(C)C(CC)O[13CH3] 7a_200011218412_200025704644 [0,1,1,0,0,0|1,0,0]=3 2284 B9R0.37 CCCC(C)N(CC)CC 2230a_100000724800_100000766640 [0,1,1,0,0,0|2,0,0]=4 2285 B9R0.37 CCCC(C)N(CC)CC 269956a_100000042499_100000766640 [0,1,1,0,0,0|2,0,0]=4 2286 B9R0.37 CCCC(C)N(CC)CC 269982a_100000724800_100000766640 [0,1,1,0,0,0|2,0,0]=4 2287 B9R0.37 CCCC(C)N(CC)CC 270004a_100000724800_100000211909 [0,1,1,0,0,0|2,0,0]=4 2288 B9R0.37 CCCN(C)C(CC)CC 2230a_100000737045_100000210303 [0,1,1,0,0,0|2,0,0]=4 2289 B9R0.37 CCCN(C)C(CC)CC 2230a_100015185089_200000210301 [0,1,1,0,0,0|2,0,0]=4 2290 B9R0.37 CCCN(C)C(CC)CC 269982a_100000737045_100000210303 [0,1,1,0,0,0|2,0,0]=4 2291 B9R0.37 CCCN(C)C(CC)CC 269982a_100000747261_100000210505 [0,1,1,0,0,0|2,0,0]=4 2292 B9R0.37 CCCN(C)C(CC)CC 269982a_100015185089_200000210301 [0,1,1,0,0,0|2,0,0]=4 2293 B9R0.37 CCCN(C)C(CC)CC 270004a_100000747261_100000210860 [0,1,1,0,0,0|2,0,0]=4 2294 B9R0.37 CCCN([13CH3])C(CC)CC 2230a_100015185089_200025704644 [0,1,1,0,0,0|2,0,0]=4 2295 B9R0.37 CCCN([13CH3])C(CC)CC 269982a_100015185089_200025704644 [0,1,1,0,0,0|2,0,0]=4 2296 B9R0.37 CCN(CC)C(C)CCO 2230a_100000724800_100009893172 [0,1,1,0,0,0|1,0,0]=3 2297 B9R0.37 CCN(CC)C(C)CCO 2230a_100011935059_100000210202 [0,1,1,0,0,0|1,0,0]=3 2298 B9R0.37 CCN(CC)C(C)CCO 269956a_100000042499_100009893172 [0,1,1,0,0,0|1,0,0]=3 2299 B9R0.37 CCN(CC)C(C)CCO 269982a_100000724800_100009893172 [0,1,1,0,0,0|1,0,0]=3 2300 B9R0.37 CCN(CC)C(C)CCO 269982a_100011935059_100000204670 [0,1,1,0,0,0|1,0,0]=3 2301 B9R0.37 CCN(CF)C(C)CCO 269982a_100011935059_100015361967 [0,1,1,0,0,0|1,0,0]=3 2302 B9R0.37 CCNC(C)C(CC)CC 269862a_100015525214_100011393642 [0,1,1,0,0,0|2,0,0]=4 2303 B9R0.37 CCNC(C)C(CC)CC 270004a_100015525214_100011393642 [0,1,1,0,0,0|2,0,0]=4 2304 B9R0.3 CC(C)(C)C(=O)CCCO 1458a_106744555173_100011215043 [0,1,1,0,0,0|1,0,1]=4 2305 B9R0.3 CC(C)(F)C(=O)CCCO 1458a_100000765255_100011215043 [0,1,1,0,0,0|1,0,1]=4 2306 B9R0.3 CC(C)(O)C(=O)CCCO 1458a_100000242741_100011215043 [0,1,1,0,0,0|1,0,1]=4 2307 B9R0.3 CC(NCCF)C(C)(C)O 269862a_100000724931_100000747739 [0,1,1,0,0,0|2,0,0]=4 2308 B9R0.3 CC(NCCO)C(C)(C)O 269862a_100000210304_100000747739 [0,1,1,0,0,0|1,0,0]=3 2309 B9R0.3 CCCCN(C)C(C)(C)C 269982a_100000207549_100000210625 [0,1,1,0,0,0|2,0,0]=4 2310 B9R0.3 CCCCN(C)C(C)(C)C 269982a_100011215553_100000210211 [0,1,1,0,0,0|2,0,0]=4 2311 B9R0.3 CCCNC(C)C(C)(C)O 269862a_100020643023_100000747739 [0,1,1,0,0,0|2,0,0]=4 2312 B9R0.3 CCCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210303 [0,1,1,0,0,0|2,0,0]=4 2313 B9R0.3 CCCN[C@H](C)C(C)(C)C 2230a_100025703359_100000210303 [0,1,1,0,0,0|2,0,0]=4 2314 B9R0.3 CN(CCCF)C(C)(C)C 269982a_100011215553_100011934791 [0,1,1,0,0,0|2,0,0]=4 2315 B9R0.3 CN(CCCO)C(C)(C)C 269982a_100000213112_100000210625 [0,1,1,0,0,0|1,0,0]=3 2316 B9R0.3 CN(CCCO)C(C)(C)C 269982a_100011215553_100011215043 [0,1,1,0,0,0|1,0,0]=3 2317 B9R0.3 C[C@@H](NCCF)C(C)(C)C 2230a_100025703359_100011217306 [0,1,1,0,0,0|2,0,0]=4 2318 B9R0.3 C[C@@H](NCCO)C(C)(C)C 2230a_100025703359_100000211926 [0,1,1,0,0,0|1,0,0]=3 2319 B9R0.3 C[C@H](NCCF)C(C)(C)O 2230a_100025708725_100011217306 [0,1,1,0,0,0|2,0,0]=4 2320 B9R0.3 C[C@H](NCCO)C(C)(C)O 2230a_100025708725_100000211926 [0,1,1,0,0,0|1,0,0]=3 2321 B9R0.7 CC(C)C(C)NCC(F)F 2230a_100000211541_100011934356 [0,1,1,0,0,0|2,0,0]=4 2322 B9R0.7 CC(C)C(C)NC[C@@H](C)O 2230a_100000211541_100009817552 [0,1,1,0,0,0|1,0,0]=3 2323 B9R0.7 CC(C)C(C)OCC(F)F 7a_100000748068_100011934356 [0,1,1,0,0,0|2,0,0]=4 2324 B9R0.7 CC(C)C(C)OC[C@@H](C)O 7a_100000748068_100009817552 [0,1,1,0,0,0|1,0,0]=3 2325 B9R0.7 CC(C)CCC(C)N(C)C 2230a_100102631434_100011261404 [0,1,1,0,0,0|2,0,0]=4 2326 B9R0.7 CC(C)CCC(C)N(C)C 269982a_100102631434_100011261404 [0,1,1,0,0,0|2,0,0]=4 2327 B9R0.7 CC(C)CCC(C)N(C)C 270004a_100102631434_100000210476 [0,1,1,0,0,0|2,0,0]=4 2328 B9R0.7 CC(C)CCN(C)C(C)C 2230a_100000742789_100000210206 [0,1,1,0,0,0|2,0,0]=4 2329 B9R0.7 CC(C)CCN(C)C(C)C 269982a_100000742789_100000210206 [0,1,1,0,0,0|2,0,0]=4 2330 B9R0.7 CC(C)CCN(C)C(C)C 269982a_200000211004_100000210312 [0,1,1,0,0,0|2,0,0]=4 2331 B9R0.7 CC(C)CNC(C)C(C)C 2230a_100000211541_100000210760 [0,1,1,0,0,0|2,0,0]=4 2332 B9R0.7 CC(C)CNC(C)C(C)C 270004a_100000211541_100000210432 [0,1,1,0,0,0|2,0,0]=4 2333 B9R0.7 CC(C)COC(C)C(C)C 7a_100000748068_100000210760 [0,1,1,0,0,0|2,0,0]=4 2334 B9R0.7 CC(O)CCC(=O)C(C)C 1458a_100000210198_100012276601 [0,1,1,0,0,0|1,0,1]=4 2335 B9R0.7 CC(O)CCN(C)C(C)C 269982a_200000211004_100012276601 [0,1,1,0,0,0|1,0,0]=3 2336 B9R0.7 CC(O)CNC(C)C(C)C 2230a_100000211541_100011218427 [0,1,1,0,0,0|1,0,0]=3 2337 B9R0.7 CC(O)COC(C)C(C)C 7a_100000748068_100011218427 [0,1,1,0,0,0|1,0,0]=3 2338 B9R0.13 C#CC(OCCO)C(C)C 34a_100011217124_100000211926 [0,1,1,0,0,0|1,0,1]=4 2339 B9R0.13 C#CC(OCCO)C(C)C 7a_100011217124_100000211926 [0,1,1,0,0,0|1,0,1]=4 2340 B9R0.13 C=CC(OCCO)C(C)C 34a_100000732651_100000211926 [0,1,1,0,0,0|1,0,1]=4 2341 B9R0.13 C=CC(OCCO)C(C)C 7a_100000732651_100000211926 [0,1,1,0,0,0|1,0,1]=4 2342 B9R0.13 CC(C)C(C#N)OCCO 34a_100000748901_100000211926 [0,1,1,0,0,0|1,0,1]=4 2343 B9R0.13 CC(C)C(C#N)OCCO 7a_100000748901_100000211926 [0,1,1,0,0,0|1,0,1]=4 2344 B9R0.13 CC(C)C(CN)COCF 34a_100000692819_100015361967 [0,1,1,0,0,0|2,0,0]=4 2345 B9R0.13 CC(C)C(CN)OCCF 34a_100000759067_100011217306 [0,1,1,0,0,0|2,0,0]=4 2346 B9R0.13 CC(C)C(CN)OCCO 34a_100000759067_100000211926 [0,1,1,0,0,0|1,0,0]=3 2347 B9R0.13 CC(C)C(CO)CNCF 34a_100000692819_100015361967 [0,1,1,0,0,0|2,0,0]=4 2348 B9R0.13 CC(C)N(CF)CCCO 269982a_100000182298_100015361967 [0,1,1,0,0,0|1,0,0]=3 2349 B9R0.13 CC(C)[C@H](CO)NCCF 2230a_100011830312_100011217306 [0,1,1,0,0,0|2,0,0]=4 2350 B9R0.13 CC(C)[C@H](CO)NCCF 34a_100011830312_100011217306 [0,1,1,0,0,0|2,0,0]=4 2351 B9R0.13 CC(C)[C@H](CO)NCCO 2230a_100011830312_100000211926 [0,1,1,0,0,0|1,0,0]=3 2352 B9R0.13 CC(C)[C@H](CO)NCCO 34a_100011830312_100000211926 [0,1,1,0,0,0|1,0,0]=3 2353 B9R0.13 CCC(COCF)C(C)C 34a_100011995916_100015361967 [0,1,1,0,0,0|2,0,0]=4 2354 B9R0.13 CCC(COCF)C(C)C 7a_100011995916_100015361967 [0,1,1,0,0,0|2,0,0]=4 2355 B9R0.13 CCC(NCCO)C(C)C 270004a_100000210304_100000210600 [0,1,1,0,0,0|1,0,0]=3 2356 B9R0.13 CCC(OCCF)C(C)C 34a_100011218073_100011217306 [0,1,1,0,0,0|2,0,0]=4 2357 B9R0.13 CCC(OCCF)C(C)C 7a_100011218073_100011217306 [0,1,1,0,0,0|2,0,0]=4 2358 B9R0.13 CCC(OCCO)C(C)C 34a_100011218073_100000211926 [0,1,1,0,0,0|1,0,0]=3 2359 B9R0.13 CCC(OCCO)C(C)C 7a_100011218073_100000211926 [0,1,1,0,0,0|1,0,0]=3 2360 B9R0.13 CCCCC(CC)N(C)C 269982a_100102631434_200011216223 [0,1,1,0,0,0|2,0,0]=4 2361 B9R0.13 CCCCC(CC)N(C)C 270004a_100102631434_100000753412 [0,1,1,0,0,0|2,0,0]=4 2362 B9R0.13 CCCCC(NC)C(C)C 270004a_106832991635_200011215219 [0,1,1,0,0,0|1,0,0]=3 2363 B9R0.13 CCCCN(CC)C(C)C 2230a_100000207398_100000210202 [0,1,1,0,0,0|2,0,0]=4 2364 B9R0.13 CCCCN(CC)C(C)C 2230a_100000207695_100000210206 [0,1,1,0,0,0|2,0,0]=4 2365 B9R0.13 CCCCN(CC)C(C)C 2230a_100000223864_100000210211 [0,1,1,0,0,0|2,0,0]=4 2366 B9R0.13 CCCCN(CC)C(C)C 269982a_100000207398_100000204670 [0,1,1,0,0,0|2,0,0]=4 2367 B9R0.13 CCCCN(CC)C(C)C 269982a_100000207695_100000210206 [0,1,1,0,0,0|2,0,0]=4 2368 B9R0.13 CCCCN(CC)C(C)C 269982a_100000223864_100000210211 [0,1,1,0,0,0|2,0,0]=4 2369 B9R0.13 CCCCN(CF)C(C)C 269982a_100000207398_100015361967 [0,1,1,0,0,0|2,0,0]=4 2370 B9R0.13 CCCNC(CC)C(C)C 270004a_100020643023_100000210600 [0,1,1,0,0,0|2,0,0]=4 2371 B9R0.13 CCCN[C@@H](CO)C(C)C 2230a_100011830312_100000210303 [0,1,1,0,0,0|2,0,0]=4 2372 B9R0.13 CCCN[C@@H](CO)C(C)C 34a_100011830312_100000210303 [0,1,1,0,0,0|2,0,0]=4 2373 B9R0.13 CCCOC(CC)C(C)C 34a_100011218073_100000210303 [0,1,1,0,0,0|2,0,0]=4 2374 B9R0.13 CCCOC(CC)C(C)C 7a_100011218073_100000210303 [0,1,1,0,0,0|2,0,0]=4 2375 B9R0.13 CCCOC(CN)C(C)C 34a_100000759067_100000210303 [0,1,1,0,0,0|2,0,0]=4 2376 B9R0.13 CCN(CCCF)C(C)C 2230a_100000223864_100011934791 [0,1,1,0,0,0|2,0,0]=4 2377 B9R0.13 CCN(CCCF)C(C)C 269982a_100000223864_100011934791 [0,1,1,0,0,0|2,0,0]=4 2378 B9R0.13 CCN(CCCO)C(C)C 2230a_100000182298_100000210202 [0,1,1,0,0,0|1,0,0]=3 2379 B9R0.13 CCN(CCCO)C(C)C 2230a_100000223864_100000230001 [0,1,1,0,0,0|1,0,0]=3 2380 B9R0.13 CCN(CCCO)C(C)C 269982a_100000182298_100000204670 [0,1,1,0,0,0|1,0,0]=3 2381 B9R0.13 CCN(CCCO)C(C)C 269982a_100000223864_100011215043 [0,1,1,0,0,0|1,0,0]=3 2382 B9R0.13 CCNCC(CC)C(C)C 269862a_100015525214_100011214906 [0,1,1,0,0,0|2,0,0]=4 2383 B9R0.13 CCNCC(CO)C(C)C 34a_100000692819_100000210202 [0,1,1,0,0,0|2,0,0]=4 2384 B9R0.13 CCOCC(CC)C(C)C 34a_100011995916_100000210202 [0,1,1,0,0,0|2,0,0]=4 2385 B9R0.13 CCOCC(CC)C(C)C 7a_100011995916_100000210202 [0,1,1,0,0,0|2,0,0]=4 2386 B9R0.13 CCOCC(CN)C(C)C 34a_100000692819_100000210202 [0,1,1,0,0,0|2,0,0]=4 2387 B9R0.13 CC[C@H](NCCO)[C@@H](C)O 2230a_100161114882_100000211926 [0,1,1,0,0,0|2,0,0]=4 2388 B9R0.13 CC[C@H](NCCO)[C@@H](C)O 34a_100161114882_100000211926 [0,1,1,0,0,0|2,0,0]=4 2389 B9R0.13 C[C@@H](O)[C@@H](CO)NCCO 2230a_100015196842_100000211926 [0,1,1,0,0,0|2,0,0]=4 2390 B9R0.13 C[C@@H](O)[C@@H](CO)NCCO 34a_100015196842_100000211926 [0,1,1,0,0,0|2,0,0]=4 2391 B9R0.42 CC(C)C(=O)C[C@@H](C)CO 1458a_100000210198_100000059175 [0,1,1,0,0,0|1,0,1]=4 2392 B9R0.42 CC(C)C(C)NC(=O)CO 240690a_100000211541_100000210174 [0,1,1,0,0,0|1,0,1]=4 2393 B9R0.42 CC(C)C(C)NC(=O)CO 527a_100000211541_100000210174 [0,1,1,0,0,0|1,0,1]=4 2394 B9R0.42 CC(C)N(C)CC(O)CO 2230a_100000702902_200000210301 [0,1,1,0,0,0|1,0,0]=3 2395 B9R0.42 CC(C)N(C)CC(O)CO 2230a_100011216503_100000210206 [0,1,1,0,0,0|1,0,0]=3 2396 B9R0.42 CC(C)N(C)CC(O)CO 269982a_100000702902_200000210301 [0,1,1,0,0,0|1,0,0]=3 2397 B9R0.42 CC(C)N(C)CC(O)CO 269982a_100011216503_100000210206 [0,1,1,0,0,0|1,0,0]=3 2398 B9R0.42 CC(C)N(C)C[C@@H](C)CO 269982a_200000211004_100000059175 [0,1,1,0,0,0|1,0,0]=3 2399 B9R0.42 CC(C)N([13CH3])CC(O)CO 2230a_100000702902_200025704644 [0,1,1,0,0,0|1,0,0]=3 2400 B9R0.42 CC(C)N([13CH3])CC(O)CO 269982a_100000702902_200025704644 [0,1,1,0,0,0|1,0,0]=3 2401 B9R0.42 CC(CO)NC(C)C(C)C 2230a_100000211541_100012180447 [0,1,1,0,0,0|1,0,0]=3 2402 B9R0.42 CC(CO)OC(C)C(C)C 7a_100000748068_100012180447 [0,1,1,0,0,0|1,0,0]=3 2403 B9R0.42 CCC(C)CC(C)N(C)C 270004a_100102631434_100011710205 [0,1,1,0,0,0|2,0,0]=4 2404 B9R0.42 CCC(C)CN(C)C(C)C 2230a_100000753921_100000210206 [0,1,1,0,0,0|2,0,0]=4 2405 B9R0.42 CCC(C)CN(C)C(C)C 269982a_100000753921_100000210206 [0,1,1,0,0,0|2,0,0]=4 2406 B9R0.42 CCC(C)CN(C)C(C)C 269982a_200000211004_100000748023 [0,1,1,0,0,0|2,0,0]=4 2407 B9R0.42 CCC(C)CN(C)C(C)C 270004a_200000211004_100000243153 [0,1,1,0,0,0|2,0,0]=4 2408 B9R0.42 CCC(C)NC(C)C(C)C 2230a_100000211541_100000758301 [0,1,1,0,0,0|2,0,0]=4 2409 B9R0.42 CCC(C)OC(C)C(C)C 7a_100000748068_100000758301 [0,1,1,0,0,0|2,0,0]=4 2410 B9R0.42 CCC(O)CN(C)C(C)C 269982a_200000211004_100011218378 [0,1,1,0,0,0|2,0,0]=4 2411 B9R0.42 CC[C@H](C)CN(C)C(C)C 269982a_200000211004_100009816398 [0,1,1,0,0,0|2,0,0]=4 2412 B9R0.47 C#CCCCN(C)C(C)C 269982a_200000211004_100011215417 [0,1,1,0,0,0|2,0,0]=4 2413 B9R0.47 C#CCCNC(C)C(C)C 2230a_100000211541_100000688953 [0,1,1,0,0,0|1,0,1]=4 2414 B9R0.47 C#CCCOC(C)C(C)C 7a_100000748068_100000688953 [0,1,1,0,0,0|1,0,1]=4 2415 B9R0.47 C=C(C)C(C)NCCCO 269862a_100000182051_100011216138 [0,1,1,0,0,0|0,0,2]=4 2416 B9R0.47 C=CCCCN(C)C(C)C 269982a_200000211004_100000757094 [0,1,1,0,0,0|2,0,0]=4 2417 B9R0.47 C=CCCNC(C)C(C)C 2230a_100000211541_100000754431 [0,1,1,0,0,0|1,0,1]=4 2418 B9R0.47 C=CCCOC(C)C(C)C 7a_100000748068_100000754431 [0,1,1,0,0,0|1,0,1]=4 2419 B9R0.47 CC(=NNCCO)C(C)C 4a_100000210001_100000211110 [0,1,1,0,0,0|1,0,1]=4 2420 B9R0.47 CC(=O)C(C)COCCO 34a_100000032740_100000211926 [0,1,1,0,0,0|1,0,1]=4 2421 B9R0.47 CC(=O)C(C)COCCO 7a_100000032740_100000211926 [0,1,1,0,0,0|1,0,1]=4 2422 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [0,1,1,0,0,0|1,0,1]=4 2423 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [0,1,1,0,0,0|1,0,1]=4 2424 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [0,1,1,0,0,0|1,0,1]=4 2425 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,1,1,0,0,0|1,0,1]=4 2426 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,1,1,0,0,0|1,0,1]=4 2427 B9R0.47 CC(C)C(=O)CNCCO 2230a_100016997473_100000753385 [0,1,1,0,0,0|1,0,1]=4 2428 B9R0.47 CC(C)C(=O)CNCCO 34a_100016990907_100000753385 [0,1,1,0,0,0|1,0,1]=4 2429 B9R0.47 CC(C)C(=O)COCCO 1458a_100000708028_100000210206 [0,1,1,0,0,0|1,0,1]=4 2430 B9R0.47 CC(C)C(=O)CSCCO 62a_100000211926_100000753385 [0,1,1,0,0,0|1,0,1]=4 2431 B9R0.47 CC(C)C(=O)CSCCO 62a_100000753385_100000211926 [0,1,1,0,0,0|1,0,1]=4 2432 B9R0.47 CC(C)C(=O)NCCCO 240690a_100000182051_100000210198 [0,1,1,0,0,0|1,0,1]=4 2433 B9R0.47 CC(C)C(=O)NCCCO 527a_100000182051_100000210198 [0,1,1,0,0,0|1,0,1]=4 2434 B9R0.47 CC(C)C(C)NCCC#N 2230a_100000211541_100011215226 [0,1,1,0,0,0|1,0,1]=4 2435 B9R0.47 CC(C)C(C)NCCCF 2230a_100000211541_100011934791 [0,1,1,0,0,0|1,0,0]=3 2436 B9R0.47 CC(C)C(C)NCCCO 2230a_100000211541_100000230001 [0,1,1,0,0,0|0,0,0]=2 2437 B9R0.47 CC(C)C(C)OCCC#N 7a_100000748068_100000184422 [0,1,1,0,0,0|1,0,1]=4 2438 B9R0.47 CC(C)C(C)OCCCF 7a_100000748068_100011934791 [0,1,1,0,0,0|1,0,0]=3 2439 B9R0.47 CC(C)C(C)OCCCO 7a_100000748068_100011215043 [0,1,1,0,0,0|0,0,0]=2 2440 B9R0.47 CC(C)C(N)CCOCF 34a_100161115045_100015361967 [0,1,1,0,0,0|2,0,0]=4 2441 B9R0.47 CC(C)C(O)CNCCF 2230a_100000759067_100011217306 [0,1,1,0,0,0|2,0,0]=4 2442 B9R0.47 CC(C)C(O)CNCCF 34a_100000759067_100011217306 [0,1,1,0,0,0|2,0,0]=4 2443 B9R0.47 CC(C)C(O)CNCCO 2230a_100000759067_100000211926 [0,1,1,0,0,0|1,0,0]=3 2444 B9R0.47 CC(C)C(O)CNCCO 34a_100000759067_100000211926 [0,1,1,0,0,0|1,0,0]=3 2445 B9R0.47 CC(C)N(C)CCCC#N 269982a_200000211004_100000687738 [0,1,1,0,0,0|2,0,0]=4 2446 B9R0.47 CC(C)N(C)CCCC=O 269982a_200000211004_200011292268 [0,1,1,0,0,0|1,0,1]=4 2447 B9R0.47 CC(C)N(C)CCCCF 269982a_200000211004_100000729493 [0,1,1,0,0,0|2,0,0]=4 2448 B9R0.47 CC(C)N(C)CCCCO 2230a_100000717598_100000210206 [0,1,1,0,0,0|1,0,0]=3 2449 B9R0.47 CC(C)N(C)CCCCO 2230a_100011521146_200000210301 [0,1,1,0,0,0|1,0,0]=3 2450 B9R0.47 CC(C)N(C)CCCCO 269982a_100000717598_100000210206 [0,1,1,0,0,0|1,0,0]=3 2451 B9R0.47 CC(C)N(C)CCCCO 269982a_100011521146_200000210301 [0,1,1,0,0,0|1,0,0]=3 2452 B9R0.47 CC(C)N(C)CCCCO 269982a_200000211004_100000210776 [0,1,1,0,0,0|1,0,0]=3 2453 B9R0.47 CC(C)N([13CH3])CCCCO 2230a_100011521146_200025704644 [0,1,1,0,0,0|1,0,0]=3 2454 B9R0.47 CC(C)N([13CH3])CCCCO 269982a_100011521146_200025704644 [0,1,1,0,0,0|1,0,0]=3 2455 B9R0.47 CC(C)[C@@H](N)COCCF 34a_100011830312_100011217306 [0,1,1,0,0,0|2,0,0]=4 2456 B9R0.47 CC(C)[C@@H](N)COCCO 34a_100011830312_100000211926 [0,1,1,0,0,0|1,0,0]=3 2457 B9R0.47 CC(CCCC#N)N(C)C 270004a_100102631434_200000032708 [0,1,1,0,0,0|2,0,0]=4 2458 B9R0.47 CCCCCC(C)N(C)C 2230a_100102631434_200011218191 [0,1,1,0,0,0|2,0,0]=4 2459 B9R0.47 CCCCCC(C)N(C)C 269982a_100102631434_200011218191 [0,1,1,0,0,0|2,0,0]=4 2460 B9R0.47 CCCCCC(C)N(C)C 270004a_100102631434_100000211708 [0,1,1,0,0,0|2,0,0]=4 2461 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223495_100000210206 [0,1,1,0,0,0|2,0,0]=4 2462 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223497_200000210301 [0,1,1,0,0,0|2,0,0]=4 2463 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223495_100000210206 [0,1,1,0,0,0|2,0,0]=4 2464 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223497_200000210301 [0,1,1,0,0,0|2,0,0]=4 2465 B9R0.47 CCCCCN(C)C(C)C 269982a_200000211004_100000210215 [0,1,1,0,0,0|2,0,0]=4 2466 B9R0.47 CCCCCN([13CH3])C(C)C 2230a_100000223497_200025704644 [0,1,1,0,0,0|2,0,0]=4 2467 B9R0.47 CCCCCN([13CH3])C(C)C 269982a_100000223497_200025704644 [0,1,1,0,0,0|2,0,0]=4 2468 B9R0.47 CCCCNC(C)C(C)C 2230a_100000211541_100000210211 [0,1,1,0,0,0|1,0,0]=3 2469 B9R0.47 CCCCOC(C)C(C)C 7a_100000748068_100000210211 [0,1,1,0,0,0|1,0,0]=3 2470 B9R0.47 CCCNCC(O)C(C)C 2230a_100000759067_100000210303 [0,1,1,0,0,0|2,0,0]=4 2471 B9R0.47 CCCNCC(O)C(C)C 34a_100000759067_100000210303 [0,1,1,0,0,0|2,0,0]=4 2472 B9R0.47 CCCOC[C@H](N)C(C)C 34a_100011830312_100000210303 [0,1,1,0,0,0|2,0,0]=4 2473 B9R0.47 CCCSCC(C)N(C)C 270004a_100102631434_100011343953 [0,1,1,0,0,0|2,0,0]=4 2474 B9R0.47 CCOCCC(C)N(C)C 270004a_100102631434_200011216536 [0,1,1,0,0,0|2,0,0]=4 2475 B9R0.47 CCOCCC(N)C(C)C 34a_100161115045_100000210202 [0,1,1,0,0,0|2,0,0]=4 2476 B9R0.47 CCOCCN(C)C(C)C 269982a_200000211004_100011215890 [0,1,1,0,0,0|2,0,0]=4 2477 B9R0.47 CCSCCN(C)C(C)C 269982a_200000211004_100000757381 [0,1,1,0,0,0|2,0,0]=4 2478 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [0,1,1,0,0,0|1,0,1]=4 2479 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [0,1,1,0,0,0|1,0,1]=4 2480 B9R0.47 COCCCN(C)C(C)C 2230a_100000224831_100000210206 [0,1,1,0,0,0|1,0,0]=3 2481 B9R0.47 COCCCN(C)C(C)C 269982a_100000224831_100000210206 [0,1,1,0,0,0|1,0,0]=3 2482 B9R0.47 COCCCN(C)C(C)C 269982a_200000211004_100000740836 [0,1,1,0,0,0|1,0,0]=3 2483 B9R0.47 COCCNC(C)C(C)C 2230a_100000211541_100011201679 [0,1,1,0,0,0|1,0,0]=3 2484 B9R0.47 COCCOC(C)C(C)C 7a_100000748068_100000233755 [0,1,1,0,0,0|1,0,0]=3 2485 B9R0.47 COCNCC(O)C(C)C 2230a_100000759067_100000766300 [0,1,1,0,0,0|2,0,0]=4 2486 B9R0.47 CSCCCC(C)N(C)C 270004a_100102631434_100011399439 [0,1,1,0,0,0|1,1,0]=4 2487 B9R0.47 CSCCNC(C)C(C)C 2230a_100000211541_100000751147 [0,1,1,0,0,0|1,1,0]=4 2488 B9R0.47 CSCCOC(C)C(C)C 7a_100000748068_100000212216 [0,1,1,0,0,0|1,1,0]=4 2489 B9R0.51 CC(C)C(C)(C)NCCF 2230a_200160471154_100011217306 [0,1,1,0,0,0|2,0,0]=4 2490 B9R0.51 CC(C)C(C)(C)NCCO 2230a_200160471154_100000211926 [0,1,1,0,0,0|1,0,0]=3 2491 B9R0.51 CC(C)C(C)(C)OCCF 7a_100011215261_100011217306 [0,1,1,0,0,0|2,0,0]=4 2492 B9R0.51 CC(C)C(C)(C)OCCO 7a_100011215261_100000211926 [0,1,1,0,0,0|1,0,0]=3 2493 B9R0.51 CCCNC(C)(C)C(C)C 2230a_200160471154_100000210303 [0,1,1,0,0,0|2,0,0]=4 2494 B9R0.51 CCCOC(C)(C)C(C)C 7a_100011215261_100000210303 [0,1,1,0,0,0|2,0,0]=4 2495 B9R0.51 CN(C)C(C)(C)SCCO 62a_100000211926_217856628674 [0,1,1,0,0,0|2,0,0]=4 2496 B9R0.51 CN(C)C(C)(C)SCCO 62a_217856628674_100000211926 [0,1,1,0,0,0|2,0,0]=4 2497 B9R0.21 CC(CF)OCC(C)(C)O 34a_100016041109_100000764493 [0,1,1,0,0,0|2,0,0]=4 2498 B9R0.21 CC(CF)OCC(C)(C)O 7a_100016041109_100000764493 [0,1,1,0,0,0|2,0,0]=4 2499 B9R0.21 CC(CN)OCC(C)(C)O 34a_100000210904_100000764493 [0,1,1,0,0,0|2,0,0]=4 2500 B9R0.21 CC(CO)NCC(C)(C)O 2230a_100000751335_100012180447 [0,1,1,0,0,0|2,0,0]=4 2501 B9R0.21 CC(CO)SCC(C)(C)O 62a_100012180447_100000764493 [0,1,1,0,0,0|2,0,0]=4 2502 B9R0.21 CCC(C)CNC(C)(C)C 2230a_100000715429_100000748023 [0,1,1,0,0,0|2,0,0]=4 2503 B9R0.21 CCC(C)COC(C)(C)C 34a_100015890283_100000748023 [0,1,1,0,0,0|2,0,0]=4 2504 B9R0.21 CCC(C)COC(C)(C)C 7a_100015890283_100000748023 [0,1,1,0,0,0|2,0,0]=4 2505 B9R0.21 CCC(C)CSC(C)(C)C 62a_100000211941_100000748023 [0,1,1,0,0,0|2,0,0]=4 2506 B9R0.21 CCC(C)CSC(C)(C)C 62a_100000748023_100000211941 [0,1,1,0,0,0|2,0,0]=4 2507 B9R0.21 CCC(C)NCC(C)(C)C 2230a_100000743828_100000758301 [0,1,1,0,0,0|2,0,0]=4 2508 B9R0.21 CCC(C)NCC(C)(C)C 270004a_100000209981_100011204126 [0,1,1,0,0,0|2,0,0]=4 2509 B9R0.21 CCC(C)NCC(C)(C)F 2230a_100020643315_100000758301 [0,1,1,0,0,0|2,0,0]=4 2510 B9R0.21 CCC(C)NCC(C)(C)O 2230a_100000751335_100000758301 [0,1,1,0,0,0|1,0,0]=3 2511 B9R0.21 CCC(C)OCC(C)(C)F 34a_100000716592_100011215416 [0,1,1,0,0,0|2,0,0]=4 2512 B9R0.21 CCC(C)OCC(C)(C)O 7a_100000210228_100000764493 [0,1,1,0,0,0|1,0,0]=3 2513 B9R0.21 CCC(C)OCC(C)(F)F 34a_100000068830_100011215416 [0,1,1,0,0,0|2,0,0]=4 2514 B9R0.21 CCC(C)SCC(C)(C)C 62a_100000758301_100011219605 [0,1,1,0,0,0|2,0,0]=4 2515 B9R0.21 CCC(C)SCC(C)(C)C 62a_100011219605_100000758301 [0,1,1,0,0,0|2,0,0]=4 2516 B9R0.21 CCC(C)SCC(C)(C)F 62a_100000758301_100011997219 [0,1,1,0,0,0|2,0,0]=4 2517 B9R0.21 CCC(C)SCC(C)(C)F 62a_100011997219_100000758301 [0,1,1,0,0,0|2,0,0]=4 2518 B9R0.21 CCC(C)SCC(C)(C)O 62a_100000758301_100000764493 [0,1,1,0,0,0|1,0,0]=3 2519 B9R0.21 CCC(C)SCC(C)(C)O 62a_100000764493_100000758301 [0,1,1,0,0,0|1,0,0]=3 2520 B9R0.21 CCN(C)CCC(C)(C)C 2230a_100000225621_100000755188 [0,1,1,0,0,0|2,0,0]=4 2521 B9R0.21 CCN(C)CCC(C)(C)C 269982a_100000225621_100000755188 [0,1,1,0,0,0|2,0,0]=4 2522 B9R0.21 CCN(C)CCC(C)(C)O 2230a_100000225621_100000702414 [0,1,1,0,0,0|1,0,0]=3 2523 B9R0.21 CC[C@H](C)CNC(C)(C)C 2230a_100000715429_100009816398 [0,1,1,0,0,0|2,0,0]=4 2524 B9R0.21 CC[C@H](C)COC(C)(C)C 34a_100015890283_100009816398 [0,1,1,0,0,0|2,0,0]=4 2525 B9R0.21 CC[C@H](C)COC(C)(C)C 7a_100015890283_100009816398 [0,1,1,0,0,0|2,0,0]=4 2526 B9R0.21 CC[C@H](C)CSC(C)(C)C 62a_100000211941_100009816398 [0,1,1,0,0,0|2,0,0]=4 2527 B9R0.21 CC[C@H](C)CSC(C)(C)C 62a_100009816398_100000211941 [0,1,1,0,0,0|2,0,0]=4 2528 B9R0.21 COC(C)SCC(C)(C)O 62a_100000764493_100009879195 [0,1,1,0,0,0|2,0,0]=4 2529 B9R0.21 COC(C)SCC(C)(C)O 62a_100009879195_100000764493 [0,1,1,0,0,0|2,0,0]=4 2530 B9R0.21 C[C@H](CO)SCC(C)(C)O 62a_100000764493_100016084084 [0,1,1,0,0,0|2,0,0]=4 2531 B9R0.21 C[C@H](CO)SCC(C)(C)O 62a_100016084084_100000764493 [0,1,1,0,0,0|2,0,0]=4 2532 B9R0.24 C#CC(C)NCC(C)CC 2230a_100000707721_100000748023 [0,1,1,0,0,0|2,0,0]=4 2533 B9R0.24 C#CC(C)NCC(C)CC 270004a_100000707721_100000243153 [0,1,1,0,0,0|2,0,0]=4 2534 B9R0.24 C#CC(C)NCC(C)CC 34a_100000707721_100000748023 [0,1,1,0,0,0|2,0,0]=4 2535 B9R0.24 C#CC(C)NC[C@@H](C)CC 2230a_100000707721_100009816398 [0,1,1,0,0,0|2,0,0]=4 2536 B9R0.24 C#CC(C)NC[C@@H](C)CC 34a_100000707721_100009816398 [0,1,1,0,0,0|2,0,0]=4 2537 B9R0.24 C#CC(C)SCC(C)CC 62a_200000035995_100000748023 [0,1,1,0,0,0|2,0,0]=4 2538 B9R0.24 C#CC(C)SC[C@@H](C)CC 62a_200000035995_100009816398 [0,1,1,0,0,0|2,0,0]=4 2539 B9R0.24 C#C[C@@H](C)OCC(C)CC 34a_100009815206_100000748023 [0,1,1,0,0,0|2,0,0]=4 2540 B9R0.24 C#C[C@@H](C)OCC(C)CC 7a_100009815206_100000748023 [0,1,1,0,0,0|2,0,0]=4 2541 B9R0.24 C#C[C@@H](C)OC[C@@H](C)CC 34a_100009815206_100009816398 [0,1,1,0,0,0|2,0,0]=4 2542 B9R0.24 C#C[C@@H](C)OC[C@@H](C)CC 7a_100009815206_100009816398 [0,1,1,0,0,0|2,0,0]=4 2543 B9R0.24 C=CC(C)COC(C)CC 34a_100011215527_100011215416 [0,1,1,0,0,0|2,0,0]=4 2544 B9R0.24 C=CC(C)COC(C)CC 7a_100011215527_100000758301 [0,1,1,0,0,0|2,0,0]=4 2545 B9R0.24 C=CC(C)OCC(C)CC 34a_100000695699_100000748023 [0,1,1,0,0,0|2,0,0]=4 2546 B9R0.24 C=CC(C)OC[C@@H](C)CC 34a_100000695699_100009816398 [0,1,1,0,0,0|2,0,0]=4 2547 B9R0.24 C=CC(C)SCC(C)CC 62a_100011215867_100000748023 [0,1,1,0,0,0|2,0,0]=4 2548 B9R0.24 C=CC(C)SC[C@@H](C)CC 62a_100011215867_100009816398 [0,1,1,0,0,0|2,0,0]=4 2549 B9R0.24 C=CC(O)CNC(C)CC 2230a_100000209981_100000730141 [0,1,1,0,0,0|1,0,1]=4 2550 B9R0.24 C=CC(O)COC(C)CC 7a_100000210228_100000730141 [0,1,1,0,0,0|1,0,1]=4 2551 B9R0.24 C=CC(O)CSC(C)CC 62a_100000730141_100000758301 [0,1,1,0,0,0|1,0,1]=4 2552 B9R0.24 C=CC(O)CSC(C)CC 62a_100000758301_100000730141 [0,1,1,0,0,0|1,0,1]=4 2553 B9R0.24 CC(CF)OCC(O)CO 34a_100016041109_100011219619 [0,1,1,0,0,0|2,0,0]=4 2554 B9R0.24 CC(CF)OCC(O)CO 7a_100016041109_100011219619 [0,1,1,0,0,0|2,0,0]=4 2555 B9R0.24 CC(CF)OC[C@@H](C)CO 34a_100016041109_100000059175 [0,1,1,0,0,0|2,0,0]=4 2556 B9R0.24 CC(CF)OC[C@@H](C)CO 7a_100016041109_100000059175 [0,1,1,0,0,0|2,0,0]=4 2557 B9R0.24 CC(CF)OC[C@@H](O)CF 34a_100016041109_100015614560 [0,1,1,0,0,0|2,0,0]=4 2558 B9R0.24 CC(CF)OC[C@@H](O)CF 7a_100016041109_100015614560 [0,1,1,0,0,0|2,0,0]=4 2559 B9R0.24 CC(CF)OC[C@@H](O)CO 34a_100016041109_100009815848 [0,1,1,0,0,0|2,0,0]=4 2560 B9R0.24 CC(CF)OC[C@@H](O)CO 7a_100016041109_100009815848 [0,1,1,0,0,0|2,0,0]=4 2561 B9R0.24 CC(CN)COC(C)CO 34a_100000744482_100012180447 [0,1,1,0,0,0|2,0,0]=4 2562 B9R0.24 CC(CN)OCC(O)CO 34a_100000210904_100011219619 [0,1,1,0,0,0|2,0,0]=4 2563 B9R0.24 CC(CN)OC[C@@H](C)CO 34a_100000210904_100000059175 [0,1,1,0,0,0|2,0,0]=4 2564 B9R0.24 CC(CN)OC[C@@H](O)CF 34a_100000210904_100015614560 [0,1,1,0,0,0|2,0,0]=4 2565 B9R0.24 CC(CN)OC[C@@H](O)CO 34a_100000210904_100009815848 [0,1,1,0,0,0|2,0,0]=4 2566 B9R0.24 CC(CO)CNC(C)CO 34a_100000744482_100012180447 [0,1,1,0,0,0|2,0,0]=4 2567 B9R0.24 CC(CO)NC[C@H](O)CO 2230a_100020644852_100012180447 [0,1,1,0,0,0|2,0,0]=4 2568 B9R0.24 CC(CO)SCC(O)CO 62a_100012180447_100011219619 [0,1,1,0,0,0|2,0,0]=4 2569 B9R0.24 CC(CO)SC[C@@H](C)CO 62a_100012180447_100000059175 [0,1,1,0,0,0|2,0,0]=4 2570 B9R0.24 CC(CO)SC[C@@H](O)CF 62a_100012180447_100015614560 [0,1,1,0,0,0|2,0,0]=4 2571 B9R0.24 CC(CO)SC[C@@H](O)CO 62a_100012180447_100009815848 [0,1,1,0,0,0|2,0,0]=4 2572 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [0,1,1,0,0,0|0,0,2]=4 2573 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [0,1,1,0,0,0|0,0,2]=4 2574 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [0,1,1,0,0,0|0,0,2]=4 2575 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [0,1,1,0,0,0|0,0,2]=4 2576 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [0,1,1,0,0,0|0,0,2]=4 2577 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [0,1,1,0,0,0|0,0,2]=4 2578 B9R0.24 CCC(C)CCC(C)OC 7a_200011216552_200000210301 [0,1,1,0,0,0|0,0,0]=2 2579 B9R0.24 CCC(C)CCC(C)O[13CH3] 7a_200011216552_200025704644 [0,1,1,0,0,0|0,0,0]=2 2580 B9R0.24 CCC(C)CNC(C)C#N 2230a_100000737613_100000748023 [0,1,1,0,0,0|2,0,0]=4 2581 B9R0.24 CCC(C)CNC(C)C#N 2230a_100020588543_100000184139 [0,1,1,0,0,0|2,0,0]=4 2582 B9R0.24 CCC(C)CNC(C)CC 2230a_100000209981_100000748023 [0,1,1,0,0,0|2,0,0]=4 2583 B9R0.24 CCC(C)CNC(C)CC 2230a_100020588543_100000758301 [0,1,1,0,0,0|2,0,0]=4 2584 B9R0.24 CCC(C)CNC(C)CC 270004a_100000209981_100000243153 [0,1,1,0,0,0|2,0,0]=4 2585 B9R0.24 CCC(C)CNC(C)CO 2230a_100020588543_100012180447 [0,1,1,0,0,0|1,0,0]=3 2586 B9R0.24 CCC(C)CN[C@H](C)CF 270004a_100102880703_100000243153 [0,1,1,0,0,0|2,0,0]=4 2587 B9R0.24 CCC(C)CN[C@H](C)CO 2230a_100000737577_100000748023 [0,1,1,0,0,0|1,0,0]=3 2588 B9R0.24 CCC(C)CN[C@H](C)CO 270004a_100000737577_100000243153 [0,1,1,0,0,0|1,0,0]=3 2589 B9R0.24 CCC(C)COC(C)C#N 34a_100011218135_100000748023 [0,1,1,0,0,0|2,0,0]=4 2590 B9R0.24 CCC(C)COC(C)CC 7a_100000210228_100000748023 [0,1,1,0,0,0|2,0,0]=4 2591 B9R0.24 CCC(C)COC(C)CF 34a_100016041109_100000748023 [0,1,1,0,0,0|2,0,0]=4 2592 B9R0.24 CCC(C)COC(C)CF 7a_100016041109_100000748023 [0,1,1,0,0,0|2,0,0]=4 2593 B9R0.24 CCC(C)COC(C)CN 34a_100000210904_100000748023 [0,1,1,0,0,0|2,0,0]=4 2594 B9R0.24 CCC(C)CSC(C)C#N 62a_100000703298_100000748023 [0,1,1,0,0,0|2,0,0]=4 2595 B9R0.24 CCC(C)CSC(C)C#N 62a_100000748023_100000703298 [0,1,1,0,0,0|2,0,0]=4 2596 B9R0.24 CCC(C)CSC(C)CC 62a_100000748023_100000758301 [0,1,1,0,0,0|2,0,0]=4 2597 B9R0.24 CCC(C)CSC(C)CC 62a_100000758301_100000748023 [0,1,1,0,0,0|2,0,0]=4 2598 B9R0.24 CCC(C)CSC(C)CO 62a_100012180447_100000748023 [0,1,1,0,0,0|1,0,0]=3 2599 B9R0.24 CCC(C)CSC(C)OC 62a_100000748023_100009879195 [0,1,1,0,0,0|1,0,0]=3 2600 B9R0.24 CCC(C)CSC(C)OC 62a_100009879195_100000748023 [0,1,1,0,0,0|1,0,0]=3 2601 B9R0.24 CCC(C)CS[C@H](C)CO 62a_100000748023_100016084084 [0,1,1,0,0,0|1,0,0]=3 2602 B9R0.24 CCC(C)CS[C@H](C)CO 62a_100016084084_100000748023 [0,1,1,0,0,0|1,0,0]=3 2603 B9R0.24 CCC(C)NCC(C)CO 34a_100000744482_100011215416 [0,1,1,0,0,0|1,0,0]=3 2604 B9R0.24 CCC(C)NCC(O)CO 2230a_100000209981_100011219619 [0,1,1,0,0,0|1,0,0]=3 2605 B9R0.24 CCC(C)NC[C@@H](C)CC 2230a_100000209981_100009816398 [0,1,1,0,0,0|2,0,0]=4 2606 B9R0.24 CCC(C)NC[C@@H](C)CO 2230a_100000209981_100000059175 [0,1,1,0,0,0|1,0,0]=3 2607 B9R0.24 CCC(C)NC[C@@H](C)OC 2230a_100020591295_100000758301 [0,1,1,0,0,0|1,0,0]=3 2608 B9R0.24 CCC(C)NC[C@@H](F)CO 34a_100015665980_100011215416 [0,1,1,0,0,0|2,0,0]=4 2609 B9R0.24 CCC(C)NC[C@@H](O)CF 2230a_100000209981_100015614560 [0,1,1,0,0,0|1,0,0]=3 2610 B9R0.24 CCC(C)NC[C@@H](O)CO 2230a_100000209981_100009815848 [0,1,1,0,0,0|1,0,0]=3 2611 B9R0.24 CCC(C)NC[C@H](O)CO 2230a_100020644852_100000758301 [0,1,1,0,0,0|1,0,0]=3 2612 B9R0.24 CCC(C)OCC(C)CN 34a_100000744482_100011215416 [0,1,1,0,0,0|2,0,0]=4 2613 B9R0.24 CCC(C)OCC(C)OC 34a_100000690652_100011215416 [0,1,1,0,0,0|1,0,0]=3 2614 B9R0.24 CCC(C)OCC(Cl)CCl 34a_100000033668_100011215416 [0,1,1,0,0,0|2,0,0]=4 2615 B9R0.24 CCC(C)OCC(O)CO 7a_100000210228_100011219619 [0,1,1,0,0,0|1,0,0]=3 2616 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100000210228_100009816398 [0,1,1,0,0,0|2,0,0]=4 2617 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100009816381_100000758301 [0,1,1,0,0,0|2,0,0]=4 2618 B9R0.24 CCC(C)OC[C@@H](C)CO 7a_100000210228_100000059175 [0,1,1,0,0,0|1,0,0]=3 2619 B9R0.24 CCC(C)OC[C@@H](O)CF 7a_100000210228_100015614560 [0,1,1,0,0,0|1,0,0]=3 2620 B9R0.24 CCC(C)OC[C@@H](O)CO 7a_100000210228_100009815848 [0,1,1,0,0,0|1,0,0]=3 2621 B9R0.24 CCC(C)OC[C@H](F)CN 34a_100015665980_100011215416 [0,1,1,0,0,0|2,0,0]=4 2622 B9R0.24 CCC(C)SCC(O)CO 62a_100000758301_100011219619 [0,1,1,0,0,0|1,0,0]=3 2623 B9R0.24 CCC(C)SCC(O)CO 62a_100011219619_100000758301 [0,1,1,0,0,0|1,0,0]=3 2624 B9R0.24 CCC(C)SC[C@@H](C)CC 62a_100000758301_100009816398 [0,1,1,0,0,0|2,0,0]=4 2625 B9R0.24 CCC(C)SC[C@@H](C)CC 62a_100009816398_100000758301 [0,1,1,0,0,0|2,0,0]=4 2626 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000059175_100000758301 [0,1,1,0,0,0|1,0,0]=3 2627 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000758301_100000059175 [0,1,1,0,0,0|1,0,0]=3 2628 B9R0.24 CCC(C)SC[C@@H](O)CF 62a_100000758301_100015614560 [0,1,1,0,0,0|1,0,0]=3 2629 B9R0.24 CCC(C)SC[C@@H](O)CF 62a_100015614560_100000758301 [0,1,1,0,0,0|1,0,0]=3 2630 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100000758301_100009815848 [0,1,1,0,0,0|1,0,0]=3 2631 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100009815848_100000758301 [0,1,1,0,0,0|1,0,0]=3 2632 B9R0.24 CCC(O)CNC(C)CC 2230a_100000209981_100011218378 [0,1,1,0,0,0|1,0,0]=3 2633 B9R0.24 CCC(O)CNC(C)CC 2230a_100011218483_100000758301 [0,1,1,0,0,0|1,0,0]=3 2634 B9R0.24 CCC(O)CNC(C)CO 2230a_100011218483_100012180447 [0,1,1,0,0,0|2,0,0]=4 2635 B9R0.24 CCC(O)CN[C@H](C)CO 2230a_100000737577_100011218378 [0,1,1,0,0,0|2,0,0]=4 2636 B9R0.24 CCC(O)COC(C)CC 7a_100000210228_100011218378 [0,1,1,0,0,0|1,0,0]=3 2637 B9R0.24 CCC(O)COC(C)CF 34a_100016041109_100011218378 [0,1,1,0,0,0|2,0,0]=4 2638 B9R0.24 CCC(O)COC(C)CF 7a_100016041109_100011218378 [0,1,1,0,0,0|2,0,0]=4 2639 B9R0.24 CCC(O)COC(C)CN 34a_100000210904_100011218378 [0,1,1,0,0,0|2,0,0]=4 2640 B9R0.24 CCC(O)CSC(C)CC 62a_100000758301_100011218378 [0,1,1,0,0,0|1,0,0]=3 2641 B9R0.24 CCC(O)CSC(C)CC 62a_100011218378_100000758301 [0,1,1,0,0,0|1,0,0]=3 2642 B9R0.24 CCC(O)CSC(C)CO 62a_100012180447_100011218378 [0,1,1,0,0,0|2,0,0]=4 2643 B9R0.24 CCC(O)CSC(C)OC 62a_100009879195_100011218378 [0,1,1,0,0,0|2,0,0]=4 2644 B9R0.24 CCC(O)CSC(C)OC 62a_100011218378_100009879195 [0,1,1,0,0,0|2,0,0]=4 2645 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100011218378_100016084084 [0,1,1,0,0,0|2,0,0]=4 2646 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100016084084_100011218378 [0,1,1,0,0,0|2,0,0]=4 2647 B9R0.24 CC[C@H](C)CNC(C)C#N 2230a_100000737613_100009816398 [0,1,1,0,0,0|2,0,0]=4 2648 B9R0.24 CC[C@H](C)CN[C@H](C)CO 2230a_100000737577_100009816398 [0,1,1,0,0,0|1,0,0]=3 2649 B9R0.24 CC[C@H](C)COC(C)C#N 34a_100011218135_100009816398 [0,1,1,0,0,0|2,0,0]=4 2650 B9R0.24 CC[C@H](C)COC(C)C#N 7a_100009816381_100000703298 [0,1,1,0,0,0|2,0,0]=4 2651 B9R0.24 CC[C@H](C)COC(C)CF 34a_100016041109_100009816398 [0,1,1,0,0,0|2,0,0]=4 2652 B9R0.24 CC[C@H](C)COC(C)CF 7a_100016041109_100009816398 [0,1,1,0,0,0|2,0,0]=4 2653 B9R0.24 CC[C@H](C)COC(C)CN 34a_100000210904_100009816398 [0,1,1,0,0,0|2,0,0]=4 2654 B9R0.24 CC[C@H](C)COC(C)CO 7a_100009816381_100012180447 [0,1,1,0,0,0|1,0,0]=3 2655 B9R0.24 CC[C@H](C)CSC(C)C#N 62a_100000703298_100009816398 [0,1,1,0,0,0|2,0,0]=4 2656 B9R0.24 CC[C@H](C)CSC(C)C#N 62a_100009816398_100000703298 [0,1,1,0,0,0|2,0,0]=4 2657 B9R0.24 CC[C@H](C)CSC(C)CO 62a_100012180447_100009816398 [0,1,1,0,0,0|1,0,0]=3 2658 B9R0.24 CC[C@H](C)CSC(C)OC 62a_100009816398_100009879195 [0,1,1,0,0,0|1,0,0]=3 2659 B9R0.24 CC[C@H](C)CSC(C)OC 62a_100009879195_100009816398 [0,1,1,0,0,0|1,0,0]=3 2660 B9R0.24 CC[C@H](C)CS[C@H](C)CO 62a_100009816398_100016084084 [0,1,1,0,0,0|1,0,0]=3 2661 B9R0.24 CC[C@H](C)CS[C@H](C)CO 62a_100016084084_100009816398 [0,1,1,0,0,0|1,0,0]=3 2662 B9R0.24 COC(C)COC(C)CO 34a_100000690652_100012180447 [0,1,1,0,0,0|2,0,0]=4 2663 B9R0.24 COC(C)SCC(O)CO 62a_100009879195_100011219619 [0,1,1,0,0,0|2,0,0]=4 2664 B9R0.24 COC(C)SCC(O)CO 62a_100011219619_100009879195 [0,1,1,0,0,0|2,0,0]=4 2665 B9R0.24 COC(C)SC[C@@H](C)CO 62a_100000059175_100009879195 [0,1,1,0,0,0|2,0,0]=4 2666 B9R0.24 COC(C)SC[C@@H](C)CO 62a_100009879195_100000059175 [0,1,1,0,0,0|2,0,0]=4 2667 B9R0.24 COC(C)SC[C@@H](O)CF 62a_100009879195_100015614560 [0,1,1,0,0,0|2,0,0]=4 2668 B9R0.24 COC(C)SC[C@@H](O)CF 62a_100015614560_100009879195 [0,1,1,0,0,0|2,0,0]=4 2669 B9R0.24 COC(C)SC[C@@H](O)CO 62a_100009815848_100009879195 [0,1,1,0,0,0|2,0,0]=4 2670 B9R0.24 COC(C)SC[C@@H](O)CO 62a_100009879195_100009815848 [0,1,1,0,0,0|2,0,0]=4 2671 B9R0.24 CO[C@H](C)CNC(C)CO 2230a_100020591295_100012180447 [0,1,1,0,0,0|2,0,0]=4 2672 B9R0.24 C[C@@H](CO)CN[C@H](C)CO 2230a_100000737577_100000059175 [0,1,1,0,0,0|2,0,0]=4 2673 B9R0.24 C[C@@H](CO)CS[C@H](C)CO 62a_100000059175_100016084084 [0,1,1,0,0,0|2,0,0]=4 2674 B9R0.24 C[C@@H](CO)CS[C@H](C)CO 62a_100016084084_100000059175 [0,1,1,0,0,0|2,0,0]=4 2675 B9R0.24 C[C@H](CO)NCC(O)CO 2230a_100000737577_100011219619 [0,1,1,0,0,0|2,0,0]=4 2676 B9R0.24 C[C@H](CO)NC[C@@H](O)CF 2230a_100000737577_100015614560 [0,1,1,0,0,0|2,0,0]=4 2677 B9R0.24 C[C@H](CO)NC[C@@H](O)CO 2230a_100000737577_100009815848 [0,1,1,0,0,0|2,0,0]=4 2678 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100011219619_100016084084 [0,1,1,0,0,0|2,0,0]=4 2679 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100016084084_100011219619 [0,1,1,0,0,0|2,0,0]=4 2680 B9R0.24 C[C@H](CO)SC[C@@H](O)CF 62a_100015614560_100016084084 [0,1,1,0,0,0|2,0,0]=4 2681 B9R0.24 C[C@H](CO)SC[C@@H](O)CF 62a_100016084084_100015614560 [0,1,1,0,0,0|2,0,0]=4 2682 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100009815848_100016084084 [0,1,1,0,0,0|2,0,0]=4 2683 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100016084084_100009815848 [0,1,1,0,0,0|2,0,0]=4 2684 B9R0.43 C#CC(CC)OCC(C)O 34a_100000758843_100011218427 [0,1,1,0,0,0|1,0,1]=4 2685 B9R0.43 C#CC(CC)OCC(C)O 7a_100000758843_100011218427 [0,1,1,0,0,0|1,0,1]=4 2686 B9R0.43 C#CC(CC)OC[C@@H](C)O 34a_100000758843_100009817552 [0,1,1,0,0,0|1,0,1]=4 2687 B9R0.43 C#CC(CC)OC[C@@H](C)O 7a_100000758843_100009817552 [0,1,1,0,0,0|1,0,1]=4 2688 B9R0.43 C=CC(CC)OCC(C)O 34a_100000766422_100011218427 [0,1,1,0,0,0|1,0,1]=4 2689 B9R0.43 C=CC(CC)OCC(C)O 7a_100000766422_100011218427 [0,1,1,0,0,0|1,0,1]=4 2690 B9R0.43 C=CC(CC)OC[C@@H](C)O 34a_100000766422_100009817552 [0,1,1,0,0,0|1,0,1]=4 2691 B9R0.43 C=CC(CC)OC[C@@H](C)O 7a_100000766422_100009817552 [0,1,1,0,0,0|1,0,1]=4 2692 B9R0.43 CC(O)CNC(CO)CO 2230a_100000759517_100011218427 [0,1,1,0,0,0|2,0,0]=4 2693 B9R0.43 CC(O)COC(CCl)CCl 7a_100000737055_100011218427 [0,1,1,0,0,0|2,0,0]=4 2694 B9R0.43 CC(O)COC(CF)CF 34a_100000032261_100011218427 [0,1,1,0,0,0|2,0,0]=4 2695 B9R0.43 CC(O)COC(CF)CF 7a_100000032261_100011218427 [0,1,1,0,0,0|2,0,0]=4 2696 B9R0.43 CC(O)COC(CN)CN 34a_100000031598_100011218427 [0,1,1,0,0,0|2,0,0]=4 2697 B9R0.43 CC(O)CO[C@@H](CF)CCl 34a_100015614560_100011218427 [0,1,1,0,0,0|2,0,0]=4 2698 B9R0.43 CC(O)CO[C@@H](CF)CCl 7a_100015614560_100011218427 [0,1,1,0,0,0|2,0,0]=4 2699 B9R0.43 CCC(CC)CNC(C)C 2230a_100102946423_100000210206 [0,1,1,0,0,0|2,0,0]=4 2700 B9R0.43 CCC(CC)CNC(C)C 2230a_100138425928_100011215472 [0,1,1,0,0,0|2,0,0]=4 2701 B9R0.43 CCC(CC)CNC(C)C 34a_100138425928_100011215472 [0,1,1,0,0,0|2,0,0]=4 2702 B9R0.43 CCC(CC)COC(C)C 34a_100000212225_100011215472 [0,1,1,0,0,0|2,0,0]=4 2703 B9R0.43 CCC(CC)COC(C)C 7a_100000703878_100000210206 [0,1,1,0,0,0|2,0,0]=4 2704 B9R0.43 CCC(CC)CSC(C)C 62a_100000210206_100011215472 [0,1,1,0,0,0|2,0,0]=4 2705 B9R0.43 CCC(CC)CSC(C)C 62a_100011215472_100000210206 [0,1,1,0,0,0|2,0,0]=4 2706 B9R0.43 CCC(CC)NCC(C)C 2230a_100000199018_100000210760 [0,1,1,0,0,0|2,0,0]=4 2707 B9R0.43 CCC(CC)NCC(C)C 270004a_100000199018_100000210432 [0,1,1,0,0,0|2,0,0]=4 2708 B9R0.43 CCC(CC)NCC(C)C 270004a_100000210953_100000210860 [0,1,1,0,0,0|2,0,0]=4 2709 B9R0.43 CCC(CC)NCC(C)O 2230a_100000199018_100011218427 [0,1,1,0,0,0|1,0,0]=3 2710 B9R0.43 CCC(CC)NCC(C)O 270004a_100000210904_100000210860 [0,1,1,0,0,0|1,0,0]=3 2711 B9R0.43 CCC(CC)NC[C@@H](C)O 2230a_100000199018_100009817552 [0,1,1,0,0,0|1,0,0]=3 2712 B9R0.43 CCC(CC)OCC(C)C 7a_100000688536_100000210760 [0,1,1,0,0,0|2,0,0]=4 2713 B9R0.43 CCC(CC)OCC(C)O 7a_100000688536_100011218427 [0,1,1,0,0,0|1,0,0]=3 2714 B9R0.43 CCC(CC)OC[C@@H](C)O 7a_100000688536_100009817552 [0,1,1,0,0,0|1,0,0]=3 2715 B9R0.43 CCC(CC)SCC(C)C 62a_100000210505_100000210760 [0,1,1,0,0,0|2,0,0]=4 2716 B9R0.43 CCC(CC)SCC(C)C 62a_100000210624_100000210505 [0,1,1,0,0,0|2,0,0]=4 2717 B9R0.43 CCC(CC)SCC(C)O 62a_100000210505_100011218427 [0,1,1,0,0,0|1,0,0]=3 2718 B9R0.43 CCC(CC)SCC(C)O 62a_100011218427_100000210505 [0,1,1,0,0,0|1,0,0]=3 2719 B9R0.43 CCC(CC)SC[C@@H](C)O 62a_100000210505_100009817552 [0,1,1,0,0,0|1,0,0]=3 2720 B9R0.43 CCC(CC)SC[C@@H](C)O 62a_100009817552_100000210505 [0,1,1,0,0,0|1,0,0]=3 2721 B9R0.43 CCC(CCC(C)C)OC 34a_100011216567_200000210301 [0,1,1,0,0,0|1,0,0]=3 2722 B9R0.43 CCC(CCC(C)C)OC 7a_100011216567_200000210301 [0,1,1,0,0,0|1,0,0]=3 2723 B9R0.43 CCC(CCC(C)C)O[13CH3] 34a_100011216567_200025704644 [0,1,1,0,0,0|1,0,0]=3 2724 B9R0.43 CCC(CCC(C)C)O[13CH3] 7a_100011216567_200025704644 [0,1,1,0,0,0|1,0,0]=3 2725 B9R0.43 CCC(COC(C)C)OC 34a_100011934954_100000210206 [0,1,1,0,0,0|2,0,0]=4 2726 B9R0.43 CCC(COC(C)C)OC 7a_100011934954_100000210206 [0,1,1,0,0,0|2,0,0]=4 2727 B9R0.43 CCN(CC)CCC(C)C 2230a_100000207693_100000210202 [0,1,1,0,0,0|2,0,0]=4 2728 B9R0.43 CCN(CC)CCC(C)C 2230a_100000724800_100000210312 [0,1,1,0,0,0|2,0,0]=4 2729 B9R0.43 CCN(CC)CCC(C)C 269956a_100000042499_100000210312 [0,1,1,0,0,0|2,0,0]=4 2730 B9R0.43 CCN(CC)CCC(C)C 269982a_100000207693_100000204670 [0,1,1,0,0,0|2,0,0]=4 2731 B9R0.43 CCN(CC)CCC(C)C 269982a_100000724800_100000210312 [0,1,1,0,0,0|2,0,0]=4 2732 B9R0.43 CCN(CC)CCC(C)O 2230a_100000724800_100012276601 [0,1,1,0,0,0|1,0,0]=3 2733 B9R0.43 CCN(CC)CCC(C)O 269956a_100000042499_100012276601 [0,1,1,0,0,0|1,0,0]=3 2734 B9R0.43 CCN(CC)CCC(C)O 269982a_100000724800_100012276601 [0,1,1,0,0,0|1,0,0]=3 2735 B9R0.43 CCN(CF)CCC(C)C 269982a_100000207693_100015361967 [0,1,1,0,0,0|2,0,0]=4 2736 B9R0.43 CC[C@@H](CO)NCC(C)C 2230a_100000709445_100000210760 [0,1,1,0,0,0|2,0,0]=4 2737 B9R0.43 CC[C@@H](CO)NCC(C)C 270004a_100000709445_100000210432 [0,1,1,0,0,0|2,0,0]=4 2738 B9R0.43 CC[C@@H](CO)NCC(C)O 2230a_100000709445_100011218427 [0,1,1,0,0,0|1,0,0]=3 2739 B9R0.43 CC[C@@H](CO)NC[C@@H](C)O 2230a_100000709445_100009817552 [0,1,1,0,0,0|1,0,0]=3 2740 B9R0.43 C[C@@H](O)CNC(CO)CO 2230a_100000759517_100009817552 [0,1,1,0,0,0|2,0,0]=4 2741 B9R0.43 C[C@@H](O)COC(CCl)CCl 7a_100000737055_100009817552 [0,1,1,0,0,0|2,0,0]=4 2742 B9R0.43 C[C@@H](O)COC(CF)CF 34a_100000032261_100009817552 [0,1,1,0,0,0|2,0,0]=4 2743 B9R0.43 C[C@@H](O)COC(CF)CF 7a_100000032261_100009817552 [0,1,1,0,0,0|2,0,0]=4 2744 B9R0.43 C[C@@H](O)COC(CN)CN 34a_100000031598_100009817552 [0,1,1,0,0,0|2,0,0]=4 2745 B9R0.43 C[C@@H](O)CO[C@@H](CF)CCl 34a_100015614560_100009817552 [0,1,1,0,0,0|2,0,0]=4 2746 B9R0.43 C[C@@H](O)CO[C@@H](CF)CCl 7a_100015614560_100009817552 [0,1,1,0,0,0|2,0,0]=4 2747 B9R0.64 CC(C)CCC(C)(C)O[13CH3] 7a_200011218267_200025704644 [0,1,1,0,0,0|2,0,0]=4 2748 B9R0.64 CC(C)CCC(C)(C)S[13CH3] 62a_200000037585_200025704644 [0,1,1,0,0,0|2,0,0]=4 2749 B9R0.64 CC(C)CCC(C)(C)S[13CH3] 62a_200025704644_200000037585 [0,1,1,0,0,0|2,0,0]=4 2750 B9R0.64 CC(O)CNC(C)(C)CO 2230a_100000210608_100011218427 [0,1,1,0,0,0|2,0,0]=4 2751 B9R0.64 CC(O)COC(C)(C)CCl 7a_100000764493_100011218427 [0,1,1,0,0,0|2,0,0]=4 2752 B9R0.64 CCC(C)(C)COC(C)C 7a_100000765029_100000210206 [0,1,1,0,0,0|2,0,0]=4 2753 B9R0.64 CCC(C)(C)NCC(C)C 2230a_100000211385_100000210760 [0,1,1,0,0,0|2,0,0]=4 2754 B9R0.64 CCC(C)(C)NCC(C)C 270004a_100000211385_100000210432 [0,1,1,0,0,0|2,0,0]=4 2755 B9R0.64 CCC(C)(C)NCC(C)O 2230a_100000211385_100011218427 [0,1,1,0,0,0|1,0,0]=3 2756 B9R0.64 CCC(C)(C)NC[C@@H](C)O 2230a_100000211385_100009817552 [0,1,1,0,0,0|1,0,0]=3 2757 B9R0.64 CCC(C)(C)OCC(C)C 7a_100000210230_100000210760 [0,1,1,0,0,0|2,0,0]=4 2758 B9R0.64 CCC(C)(C)OCC(C)O 7a_100000210230_100011218427 [0,1,1,0,0,0|1,0,0]=3 2759 B9R0.64 CCC(C)(C)OC[C@@H](C)O 7a_100000210230_100009817552 [0,1,1,0,0,0|1,0,0]=3 2760 B9R0.64 CCC(C)(C)SCC(C)C 62a_100000032637_100000210760 [0,1,1,0,0,0|2,0,0]=4 2761 B9R0.64 CCC(C)(C)SCC(C)C 62a_100000210624_100000032637 [0,1,1,0,0,0|2,0,0]=4 2762 B9R0.64 CCC(C)(C)SCC(C)O 62a_100000032637_100011218427 [0,1,1,0,0,0|1,0,0]=3 2763 B9R0.64 CCC(C)(C)SCC(C)O 62a_100011218427_100000032637 [0,1,1,0,0,0|1,0,0]=3 2764 B9R0.64 CCC(C)(C)SC[C@@H](C)O 62a_100000032637_100009817552 [0,1,1,0,0,0|1,0,0]=3 2765 B9R0.64 CCC(C)(C)SC[C@@H](C)O 62a_100009817552_100000032637 [0,1,1,0,0,0|1,0,0]=3 2766 B9R0.64 CNC(C)(C)CCC(C)C 34a_100102657272_200000037585 [0,1,1,0,0,0|2,0,0]=4 2767 B9R0.64 COC(C)(C)CCC(C)C 34a_100138415774_200000037585 [0,1,1,0,0,0|2,0,0]=4 2768 B9R0.64 COC(C)(C)CCC(C)C 7a_200011218267_200000210301 [0,1,1,0,0,0|2,0,0]=4 2769 B9R0.64 CSC(C)(C)CCC(C)C 62a_200000037585_200000210301 [0,1,1,0,0,0|2,0,0]=4 2770 B9R0.64 CSC(C)(C)CCC(C)C 62a_200000210301_200000037585 [0,1,1,0,0,0|2,0,0]=4 2771 B9R0.64 C[C@@H](O)CNC(C)(C)CO 2230a_100000210608_100009817552 [0,1,1,0,0,0|2,0,0]=4 2772 B9R0.64 C[C@@H](O)COC(C)(C)CCl 7a_100000764493_100009817552 [0,1,1,0,0,0|2,0,0]=4 2773 B9R0.22 CCC(=O)CC(C)(C)CC 1458a_200000763500_100000210202 [0,1,1,0,0,0|0,0,2]=4 2774 B9R0.22 CCC(=O)CC(C)(O)CC 1458a_200011219800_100000210202 [0,1,1,0,0,0|0,0,2]=4 2775 B9R0.22 CCC(C)NC(C)(C)CC 2230a_100000211385_100000758301 [0,1,1,0,0,0|2,0,0]=4 2776 B9R0.22 CCC(C)OC(C)(C)CC 7a_100000210228_100000210677 [0,1,1,0,0,0|2,0,0]=4 2777 B9R0.22 CCC(C)OC(C)(C)CC 7a_100000210230_100000758301 [0,1,1,0,0,0|2,0,0]=4 2778 B9R0.22 CCC(C)SC(C)(C)CC 62a_100000032637_100000758301 [0,1,1,0,0,0|2,0,0]=4 2779 B9R0.22 CCC(C)SC(C)(C)CC 62a_100000758301_100000032637 [0,1,1,0,0,0|2,0,0]=4 2780 B9R0.26 C#CC(CC)OC(C)CC 34a_100000758843_100011215416 [0,1,1,0,0,0|2,0,0]=4 2781 B9R0.26 C#CC(CC)OC(C)CC 7a_100000758843_100000758301 [0,1,1,0,0,0|2,0,0]=4 2782 B9R0.26 C=CC(CC)OC(C)CC 34a_100000766422_100011215416 [0,1,1,0,0,0|2,0,0]=4 2783 B9R0.26 C=CC(CC)OC(C)CC 7a_100000766422_100000758301 [0,1,1,0,0,0|2,0,0]=4 2784 B9R0.26 CCC(=O)CC(CC)CC 1458a_100000210414_100011215472 [0,1,1,0,0,0|0,0,2]=4 2785 B9R0.26 CCC(C)CC(CC)NC 270004a_106832991635_100000184709 [0,1,1,0,0,0|1,0,0]=3 2786 B9R0.26 CCC(C)CC(CC)OC 7a_200011216566_200000210301 [0,1,1,0,0,0|0,0,0]=2 2787 B9R0.26 CCC(C)CC(CC)O[13CH3] 7a_200011216566_200025704644 [0,1,1,0,0,0|0,0,0]=2 2788 B9R0.26 CCC(C)CN(CC)CC 2230a_100000724800_100000748023 [0,1,1,0,0,0|2,0,0]=4 2789 B9R0.26 CCC(C)CN(CC)CC 269956a_100000042499_100000748023 [0,1,1,0,0,0|2,0,0]=4 2790 B9R0.26 CCC(C)CN(CC)CC 269982a_100000724800_100000748023 [0,1,1,0,0,0|2,0,0]=4 2791 B9R0.26 CCC(C)CN(CC)CC 270004a_100000724800_100000243153 [0,1,1,0,0,0|2,0,0]=4 2792 B9R0.26 CCC(C)NC(CC)CC 2230a_100000199018_100000758301 [0,1,1,0,0,0|2,0,0]=4 2793 B9R0.26 CCC(C)NC(CC)CC 270004a_100000209981_100000210860 [0,1,1,0,0,0|2,0,0]=4 2794 B9R0.26 CCC(C)NC(CO)CO 2230a_100000759517_100000758301 [0,1,1,0,0,0|2,0,0]=4 2795 B9R0.26 CCC(C)N[C@@H](CC)CO 2230a_100000709445_100000758301 [0,1,1,0,0,0|1,0,0]=3 2796 B9R0.26 CCC(C)OC(CC)CC 7a_100000210228_100000210505 [0,1,1,0,0,0|2,0,0]=4 2797 B9R0.26 CCC(C)OC(CC)CC 7a_100000688536_100000758301 [0,1,1,0,0,0|2,0,0]=4 2798 B9R0.26 CCC(C)SC(CC)CC 62a_100000210505_100000758301 [0,1,1,0,0,0|2,0,0]=4 2799 B9R0.26 CCC(C)SC(CC)CC 62a_100000758301_100000210505 [0,1,1,0,0,0|2,0,0]=4 2800 B9R0.26 CCC(CC)CN(C)CC 2230a_100000225621_100011215472 [0,1,1,0,0,0|2,0,0]=4 2801 B9R0.26 CCC(CC)CN(C)CC 269982a_100000225621_100011215472 [0,1,1,0,0,0|2,0,0]=4 2802 B9R0.26 CCC(O)CN(CC)CC 2230a_100000724800_100011218378 [0,1,1,0,0,0|1,0,0]=3 2803 B9R0.26 CCC(O)CN(CC)CC 2230a_100011365200_100000210202 [0,1,1,0,0,0|1,0,0]=3 2804 B9R0.26 CCC(O)CN(CC)CC 269956a_100000042499_100011218378 [0,1,1,0,0,0|1,0,0]=3 2805 B9R0.26 CCC(O)CN(CC)CC 269982a_100000724800_100011218378 [0,1,1,0,0,0|1,0,0]=3 2806 B9R0.26 CCC(O)CN(CC)CC 269982a_100011365200_100000204670 [0,1,1,0,0,0|1,0,0]=3 2807 B9R0.26 CCC(O)CN(CC)CF 269982a_100011365200_100015361967 [0,1,1,0,0,0|1,0,0]=3 2808 B9R0.26 CCN(C)CC(OC)OC 2230a_100000225621_100000751394 [0,1,1,0,0,0|2,0,0]=4 2809 B9R0.26 CCN(C)CC(OC)OC 269982a_100000225562_100000204670 [0,1,1,0,0,0|2,0,0]=4 2810 B9R0.26 CCN(CC)CC(O)CO 2230a_100000724800_100011219619 [0,1,1,0,0,0|2,0,0]=4 2811 B9R0.26 CCN(CC)CC(O)CO 269956a_100000042499_100011219619 [0,1,1,0,0,0|2,0,0]=4 2812 B9R0.26 CCN(CC)C[C@@H](O)CF 2230a_100000724800_100015614560 [0,1,1,0,0,0|2,0,0]=4 2813 B9R0.26 CCN(CC)C[C@@H](O)CF 269956a_100000042499_100015614560 [0,1,1,0,0,0|2,0,0]=4 2814 B9R0.26 CCN(CC)C[C@@H](O)CO 2230a_100000724800_100009815848 [0,1,1,0,0,0|2,0,0]=4 2815 B9R0.26 CCN(CC)C[C@@H](O)CO 269956a_100000042499_100009815848 [0,1,1,0,0,0|2,0,0]=4 2816 B9R0.26 CC[C@@H](CO)NC(C)CO 2230a_100000709445_100012180447 [0,1,1,0,0,0|2,0,0]=4 2817 B9R0.26 CC[C@H](C)CN(CC)CC 2230a_100000724800_100009816398 [0,1,1,0,0,0|2,0,0]=4 2818 B9R0.26 CC[C@H](C)CN(CC)CC 269956a_100000042499_100009816398 [0,1,1,0,0,0|2,0,0]=4 2819 B9R0.26 CC[C@H](C)CN(CC)CC 269982a_100000724800_100009816398 [0,1,1,0,0,0|2,0,0]=4 2820 B9R0.26 CNC(C)CC(OC)OC 270004a_106832991635_100000210484 [0,1,1,0,0,0|2,0,0]=4 2821 B9R0.26 COC(C)CC(OC)OC 7a_100011018202_200000210301 [0,1,1,0,0,0|2,0,0]=4 2822 B9R0.26 COC(CC(C)O[13CH3])OC 7a_100011018202_200025704644 [0,1,1,0,0,0|2,0,0]=4 2823 B9R0.10 CC(C)CN(C)C(C)(C)C 2230a_100015183297_200000210301 [0,1,1,0,0,0|2,0,0]=4 2824 B9R0.10 CC(C)CN(C)C(C)(C)C 269982a_100000747067_100000210625 [0,1,1,0,0,0|2,0,0]=4 2825 B9R0.10 CC(C)CN(C)C(C)(C)C 269982a_100011215553_100000210624 [0,1,1,0,0,0|2,0,0]=4 2826 B9R0.10 CC(C)CN(C)C(C)(C)C 269982a_100015183297_200000210301 [0,1,1,0,0,0|2,0,0]=4 2827 B9R0.10 CC(C)CN(C)C(C)(C)C 270004a_100011215553_100000210432 [0,1,1,0,0,0|2,0,0]=4 2828 B9R0.10 CC(C)CN([13CH3])C(C)(C)C 2230a_100015183297_200025704644 [0,1,1,0,0,0|2,0,0]=4 2829 B9R0.10 CC(C)CN([13CH3])C(C)(C)C 269982a_100015183297_200025704644 [0,1,1,0,0,0|2,0,0]=4 2830 B9R0.10 CC(C)N[C@@H](C)C(C)(C)O 2230a_100025708725_100000210206 [0,1,1,0,0,0|2,0,0]=4 2831 B9R0.10 CC(C)N[C@H](C)C(C)(C)C 2230a_100025703359_100000210206 [0,1,1,0,0,0|2,0,0]=4 2832 B9R0.10 CC(O)CC(=O)C(C)(C)C 1458a_106744555173_100011218427 [0,1,1,0,0,0|1,0,1]=4 2833 B9R0.10 CC(O)CC(=O)C(C)(C)F 1458a_100000765255_100011218427 [0,1,1,0,0,0|1,0,1]=4 2834 B9R0.10 CC(O)CC(=O)C(C)(C)O 1458a_100000242741_100011218427 [0,1,1,0,0,0|1,0,1]=4 2835 B9R0.10 CC(O)CN(C)C(C)(C)C 269982a_100000227577_100000210625 [0,1,1,0,0,0|1,0,0]=3 2836 B9R0.10 CC(O)CN(C)C(C)(C)C 269982a_100011215553_100011218427 [0,1,1,0,0,0|1,0,0]=3 2837 B9R0.10 C[C@@H](O)CN(C)C(C)(C)C 269982a_100011215553_100009817552 [0,1,1,0,0,0|1,0,0]=3 2838 B9R0.11 CC(C)NC(C)(C)C(C)C 2230a_200160471154_100000210206 [0,1,1,0,0,0|2,0,0]=4 2839 B9R0.11 CC(C)OC(C)(C)C(C)C 7a_100011215261_100000210206 [0,1,1,0,0,0|2,0,0]=4 2840 B9R0.39 CC(C)C(CC(=O)O)N[13CH3] 269956a_100000695669_200025704644 [0,1,1,0,0,0|1,0,1]=4 2841 B9R0.39 CC(C)CC(O[13CH3])C(C)C 34a_200011219802_200025704644 [0,1,1,0,0,0|1,0,0]=3 2842 B9R0.39 CC(C)CC(O[13CH3])C(C)C 7a_200011219802_200025704644 [0,1,1,0,0,0|1,0,0]=3 2843 B9R0.39 CC(C)CN(CF)C(C)C 269982a_100000737641_100015361967 [0,1,1,0,0,0|2,0,0]=4 2844 B9R0.39 CC(C)N[C@@H](CO)C(C)C 2230a_100011830312_100000210206 [0,1,1,0,0,0|2,0,0]=4 2845 B9R0.39 CC(C)N[C@@H](CO)C(C)C 34a_100011830312_100000210206 [0,1,1,0,0,0|2,0,0]=4 2846 B9R0.39 CC(C)OC(CN)C(C)C 34a_100000759067_100000210206 [0,1,1,0,0,0|2,0,0]=4 2847 B9R0.39 CCC(OC(C)C)C(C)C 34a_100011218073_100000210206 [0,1,1,0,0,0|2,0,0]=4 2848 B9R0.39 CCC(OC(C)C)C(C)C 7a_100011218073_100000210206 [0,1,1,0,0,0|2,0,0]=4 2849 B9R0.39 CCN(CC(C)C)C(C)C 2230a_100000223864_100000210760 [0,1,1,0,0,0|2,0,0]=4 2850 B9R0.39 CCN(CC(C)C)C(C)C 2230a_100000737641_100000210202 [0,1,1,0,0,0|2,0,0]=4 2851 B9R0.39 CCN(CC(C)C)C(C)C 2230a_100000738554_100000210206 [0,1,1,0,0,0|2,0,0]=4 2852 B9R0.39 CCN(CC(C)C)C(C)C 269982a_100000223864_100000210624 [0,1,1,0,0,0|2,0,0]=4 2853 B9R0.39 CCN(CC(C)C)C(C)C 269982a_100000737641_100000204670 [0,1,1,0,0,0|2,0,0]=4 2854 B9R0.39 CCN(CC(C)C)C(C)C 269982a_100000738554_100000210206 [0,1,1,0,0,0|2,0,0]=4 2855 B9R0.39 CCN(CC(C)C)C(C)C 270004a_100000223864_100000210432 [0,1,1,0,0,0|2,0,0]=4 2856 B9R0.39 CCN(CC(C)O)C(C)C 2230a_100000223864_100011218427 [0,1,1,0,0,0|1,0,0]=3 2857 B9R0.39 CCN(CC(C)O)C(C)C 269982a_100000223864_100011218427 [0,1,1,0,0,0|1,0,0]=3 2858 B9R0.39 CCN(C[C@@H](C)O)C(C)C 2230a_100000223864_100009817552 [0,1,1,0,0,0|1,0,0]=3 2859 B9R0.39 CCN(C[C@@H](C)O)C(C)C 269982a_100000223864_100009817552 [0,1,1,0,0,0|1,0,0]=3 2860 B9R0.39 CCN(C[C@H](C)O)C(C)C 2230a_100000729506_100000210206 [0,1,1,0,0,0|1,0,0]=3 2861 B9R0.39 CCN(C[C@H](C)O)C(C)C 269982a_100000729506_100000210206 [0,1,1,0,0,0|1,0,0]=3 2862 B9R0.39 CNC(CC(=O)O)C(C)C 269956a_100000695669_200000210301 [0,1,1,0,0,0|1,0,1]=4 2863 B9R0.39 COC(CC(C)C)C(C)C 34a_200011219802_200000210301 [0,1,1,0,0,0|1,0,0]=3 2864 B9R0.39 COC(CC(C)C)C(C)C 7a_200011219802_200000210301 [0,1,1,0,0,0|1,0,0]=3 2865 B9R0.57 CC(C)C(=O)CC(C)(C)O 1458a_100000693243_100000210206 [0,1,1,0,0,0|1,0,1]=4 2866 B9R0.57 CC(C)N(C)CC(C)(C)C 2230a_100000742839_100000210206 [0,1,1,0,0,0|2,0,0]=4 2867 B9R0.57 CC(C)N(C)CC(C)(C)C 2230a_107254826865_200000210301 [0,1,1,0,0,0|2,0,0]=4 2868 B9R0.57 CC(C)N(C)CC(C)(C)C 269982a_100000742839_100000210206 [0,1,1,0,0,0|2,0,0]=4 2869 B9R0.57 CC(C)N(C)CC(C)(C)C 269982a_107254826865_200000210301 [0,1,1,0,0,0|2,0,0]=4 2870 B9R0.57 CC(C)N(C)CC(C)(C)C 270004a_200000211004_100011204126 [0,1,1,0,0,0|2,0,0]=4 2871 B9R0.57 CC(C)N(C)CC(C)(C)O 2230a_100000755907_100000210206 [0,1,1,0,0,0|1,0,0]=3 2872 B9R0.57 CC(C)N(C)CC(C)(C)O 269982a_100000755907_100000210206 [0,1,1,0,0,0|1,0,0]=3 2873 B9R0.57 CC(C)N([13CH3])CC(C)(C)C 2230a_107254826865_200025704644 [0,1,1,0,0,0|2,0,0]=4 2874 B9R0.57 CC(C)N([13CH3])CC(C)(C)C 269982a_107254826865_200025704644 [0,1,1,0,0,0|2,0,0]=4 2875 B9R0.79 CC(C)C(=O)C(C)C(C)C 1458a_100000755409_100000210206 [0,1,1,0,0,0|1,0,1]=4 2876 B9R0.79 CC(C)C(C)N(C)C(C)C 2230a_100000228512_100000210206 [0,1,1,0,0,0|2,0,0]=4 2877 B9R0.79 CC(C)C(C)N(C)C(C)C 269982a_100000228512_100000210206 [0,1,1,0,0,0|2,0,0]=4 2878 B9R0.79 CC(C)N(C)C(=O)[C@@H](C)O 240690a_200000211004_100000717761 [0,1,1,0,0,0|1,0,1]=4 2879 B9R0.79 CC(C)N(C)C(=O)[C@H](C)O 1626a_200000211004_217856618621 [0,1,1,0,0,0|1,0,1]=4 2880 B9R0.79 CC(C)N(C)C(=O)[C@H](C)O 240690a_200000211004_217856618621 [0,1,1,0,0,0|1,0,1]=4 2881 B9R1.1 C#CC1CCN(CC1)C 2230a_100016991398_200000210301 [1,1,0,0,0,0|2,0,0]=4 2882 B9R1.1 C#CC1CCN(CC1)C 269982a_100016991398_200000210301 [1,1,0,0,0,0|2,0,0]=4 2883 B9R1.1 C#CC1CCN(CC1)C 34a_100016991398_200000210301 [1,1,0,0,0,0|2,0,0]=4 2884 B9R1.1 C#CC1CCN(CC1)[13CH3] 2230a_100016991398_200025704644 [1,1,0,0,0,0|2,0,0]=4 2885 B9R1.1 C#CC1CCN(CC1)[13CH3] 269982a_100016991398_200025704644 [1,1,0,0,0,0|2,0,0]=4 2886 B9R1.1 C#CC1CCN(CC1)[13CH3] 34a_100016991398_200025704644 [1,1,0,0,0,0|2,0,0]=4 2887 B9R1.1 C=C1CCC(CC1)NC 270004a_106832991635_100010272673 [1,1,0,0,0,0|1,0,1]=4 2888 B9R1.1 CC1CCC(CC1)O[13CH3] 34a_100000210714_200025704644 [1,1,0,0,0,0|0,0,0]=2 2889 B9R1.1 CC1CCC(CC1)O[13CH3] 7a_100000210714_200025704644 [1,1,0,0,0,0|0,0,0]=2 2890 B9R1.1 CC1CCC(CC1)S[13CH3] 62a_200025704644_200011216234 [1,1,0,0,0,0|0,1,0]=3 2891 B9R1.1 CC1CCN(CC1)CF 269982a_100000188429_100015361967 [1,1,0,0,0,0|2,0,0]=4 2892 B9R1.1 CC1CCN(CC1)CF 34a_100000188429_100015361967 [1,1,0,0,0,0|2,0,0]=4 2893 B9R1.1 CCC1CCN(CC1)C 2230a_100000754474_200000210301 [1,1,0,0,0,0|2,0,0]=4 2894 B9R1.1 CCC1CCN(CC1)C 269982a_100000754474_200000210301 [1,1,0,0,0,0|2,0,0]=4 2895 B9R1.1 CCC1CCN(CC1)C 34a_100000754474_200000210301 [1,1,0,0,0,0|2,0,0]=4 2896 B9R1.1 CCC1CCN(CC1)[13CH3] 2230a_100000754474_200025704644 [1,1,0,0,0,0|2,0,0]=4 2897 B9R1.1 CCC1CCN(CC1)[13CH3] 269982a_100000754474_200025704644 [1,1,0,0,0,0|2,0,0]=4 2898 B9R1.1 CCC1CCN(CC1)[13CH3] 34a_100000754474_200025704644 [1,1,0,0,0,0|2,0,0]=4 2899 B9R1.1 CCN1CCC(CC1)C 2230a_100000188429_100000210202 [1,1,0,0,0,0|2,0,0]=4 2900 B9R1.1 CCN1CCC(CC1)C 269982a_100000188429_100000204670 [1,1,0,0,0,0|2,0,0]=4 2901 B9R1.1 CCN1CCC(CC1)C 34a_100000188429_100000210202 [1,1,0,0,0,0|2,0,0]=4 2902 B9R1.1 CCN1CCC(CC1)F 2230a_100015193889_100000210202 [1,1,0,0,0,0|2,0,0]=4 2903 B9R1.1 CCN1CCC(CC1)F 269982a_100015193889_100000204670 [1,1,0,0,0,0|2,0,0]=4 2904 B9R1.1 CCN1CCC(CC1)F 34a_100015193889_100000210202 [1,1,0,0,0,0|2,0,0]=4 2905 B9R1.1 CCN1CCC(CC1)O 2230a_100025773856_100000210202 [1,1,0,0,0,0|1,0,0]=3 2906 B9R1.1 CCN1CCC(CC1)O 269982a_100025773856_100000204670 [1,1,0,0,0,0|1,0,0]=3 2907 B9R1.1 CN1CCC(CC1)C#N 2230a_100000747632_200000210301 [1,1,0,0,0,0|2,0,0]=4 2908 B9R1.1 CN1CCC(CC1)CF 2230a_100015203933_200000210301 [1,1,0,0,0,0|2,0,0]=4 2909 B9R1.1 CN1CCC(CC1)CF 269982a_100015203933_200000210301 [1,1,0,0,0,0|2,0,0]=4 2910 B9R1.1 CN1CCC(CC1)CF 34a_100015203933_200000210301 [1,1,0,0,0,0|2,0,0]=4 2911 B9R1.1 CN1CCC(CC1)CO 2230a_100000738675_200000210301 [1,1,0,0,0,0|1,0,0]=3 2912 B9R1.1 CN1CCC(CC1)CO 269982a_100000738675_200000210301 [1,1,0,0,0,0|1,0,0]=3 2913 B9R1.1 CN1CCC(CC1)CO 34a_100000738675_200000210301 [1,1,0,0,0,0|1,0,0]=3 2914 B9R1.1 CN1CCC(CC1)S[13CH3] 62a_200025704644_100011215917 [1,1,0,0,0,0|1,1,0]=4 2915 B9R1.1 CNC1CCC(CC1)C 270004a_106832991635_100000185489 [1,1,0,0,0,0|1,0,0]=3 2916 B9R1.1 CNC1CCC(CC1)C 34a_100102657272_200011216234 [1,1,0,0,0,0|1,0,0]=3 2917 B9R1.1 CNC1CCC(CC1)O 270004a_106832991635_100000764474 [1,1,0,0,0,0|0,0,0]=2 2918 B9R1.1 CNC1CCN(CC1)C 270004a_106832991635_100000210137 [1,1,0,0,0,0|2,0,0]=4 2919 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_200000210301 [1,1,0,0,0,0|1,0,0]=3 2920 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_200000210301 [1,1,0,0,0,0|1,0,0]=3 2921 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [1,1,0,0,0,0|0,0,2]=4 2922 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [1,1,0,0,0,0|0,0,2]=4 2923 B9R1.1 COC1CCC(CC1)C 34a_100000210714_200000210301 [1,1,0,0,0,0|0,0,0]=2 2924 B9R1.1 COC1CCC(CC1)C 34a_100138415774_200011216234 [1,1,0,0,0,0|0,0,0]=2 2925 B9R1.1 COC1CCC(CC1)C 7a_100000210714_200000210301 [1,1,0,0,0,0|0,0,0]=2 2926 B9R1.1 COC1CCN(CC1)C 2230a_100000234800_200000210301 [1,1,0,0,0,0|1,0,0]=3 2927 B9R1.1 COC1CCN(CC1)C 269982a_100000234800_200000210301 [1,1,0,0,0,0|1,0,0]=3 2928 B9R1.1 COC1CCN(CC1)C 34a_100000234800_200000210301 [1,1,0,0,0,0|1,0,0]=3 2929 B9R1.1 COC1CCN(CC1)[13CH3] 2230a_100000234800_200025704644 [1,1,0,0,0,0|1,0,0]=3 2930 B9R1.1 COC1CCN(CC1)[13CH3] 269982a_100000234800_200025704644 [1,1,0,0,0,0|1,0,0]=3 2931 B9R1.1 COC1CCN(CC1)[13CH3] 34a_100000234800_200025704644 [1,1,0,0,0,0|1,0,0]=3 2932 B9R1.1 CO[C@H]1CC[C@H](CC1)N 34a_100020628982_200000210301 [1,1,0,0,0,0|1,0,0]=3 2933 B9R1.1 CSC1CCC(CC1)C 62a_200000210301_200011216234 [1,1,0,0,0,0|0,1,0]=3 2934 B9R1.1 CSC1CCN(CC1)C 2230a_100015202541_200000210301 [1,1,0,0,0,0|1,1,0]=4 2935 B9R1.1 CSC1CCN(CC1)C 269982a_100015202541_200000210301 [1,1,0,0,0,0|1,1,0]=4 2936 B9R1.1 CSC1CCN(CC1)C 34a_100015202541_200000210301 [1,1,0,0,0,0|1,1,0]=4 2937 B9R1.1 CSC1CCN(CC1)C 62a_200000210301_100011215917 [1,1,0,0,0,0|1,1,0]=4 2938 B9R1.1 CSC1CCN(CC1)[13CH3] 2230a_100015202541_200025704644 [1,1,0,0,0,0|1,1,0]=4 2939 B9R1.1 CSC1CCN(CC1)[13CH3] 269982a_100015202541_200025704644 [1,1,0,0,0,0|1,1,0]=4 2940 B9R1.1 CSC1CCN(CC1)[13CH3] 34a_100015202541_200025704644 [1,1,0,0,0,0|1,1,0]=4 2941 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 2230a_100020625639_200025704644 [1,1,0,0,0,0|1,0,0]=3 2942 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 34a_100020625639_200025704644 [1,1,0,0,0,0|1,0,0]=3 2943 B9R1.1 FCN1CCC(CC1)F 269982a_100015193889_100015361967 [1,1,0,0,0,0|2,0,0]=4 2944 B9R1.1 FCN1CCC(CC1)F 34a_100015193889_100015361967 [1,1,0,0,0,0|2,0,0]=4 2945 B9R1.1 OC1CCN(CC1)CF 269982a_100025773856_100015361967 [1,1,0,0,0,0|1,0,0]=3 2946 B9R1.1 [13CH3]N1CCC(CC1)C#N 2230a_100000747632_200025704644 [1,1,0,0,0,0|2,0,0]=4 2947 B9R1.1 [13CH3]N1CCC(CC1)CF 2230a_100015203933_200025704644 [1,1,0,0,0,0|2,0,0]=4 2948 B9R1.1 [13CH3]N1CCC(CC1)CF 269982a_100015203933_200025704644 [1,1,0,0,0,0|2,0,0]=4 2949 B9R1.1 [13CH3]N1CCC(CC1)CF 34a_100015203933_200025704644 [1,1,0,0,0,0|2,0,0]=4 2950 B9R1.1 [13CH3]N1CCC(CC1)CO 2230a_100000738675_200025704644 [1,1,0,0,0,0|1,0,0]=3 2951 B9R1.1 [13CH3]N1CCC(CC1)CO 269982a_100000738675_200025704644 [1,1,0,0,0,0|1,0,0]=3 2952 B9R1.1 [13CH3]N1CCC(CC1)CO 34a_100000738675_200025704644 [1,1,0,0,0,0|1,0,0]=3 2953 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [1,1,0,0,0,0|0,0,2]=4 2954 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [1,1,0,0,0,0|0,0,2]=4 2955 B9R1.1 [13CH3]O[C@H]1CC[C@H](CC1)N 34a_100020628982_200025704644 [1,1,0,0,0,0|1,0,0]=3 2956 B9R1.10 CC1(CCN(CC1)[13CH3])C 2230a_100000750138_200025704644 [1,1,0,0,0,0|2,0,0]=4 2957 B9R1.10 CC1(CCN(CC1)[13CH3])C 269982a_100000750138_200025704644 [1,1,0,0,0,0|2,0,0]=4 2958 B9R1.10 CC1(CCN(CC1)[13CH3])O 2230a_100000690209_200025704644 [1,1,0,0,0,0|1,0,0]=3 2959 B9R1.10 CC1(CCN(CC1)[13CH3])O 269982a_100000690209_200025704644 [1,1,0,0,0,0|1,0,0]=3 2960 B9R1.10 CN1CCC(CC1)(C)C 2230a_100000750138_200000210301 [1,1,0,0,0,0|2,0,0]=4 2961 B9R1.10 CN1CCC(CC1)(C)C 269982a_100000750138_200000210301 [1,1,0,0,0,0|2,0,0]=4 2962 B9R1.10 CN1CCC(CC1)(C)O 2230a_100000690209_200000210301 [1,1,0,0,0,0|1,0,0]=3 2963 B9R1.10 CN1CCC(CC1)(C)O 269982a_100000690209_200000210301 [1,1,0,0,0,0|1,0,0]=3 2964 B9R1.10 CN1CCC(CC1)(F)F 2230a_100000724815_200000210301 [1,1,0,0,0,0|2,0,0]=4 2965 B9R1.10 CN1CCC(CC1)(F)F 269982a_100000724815_200000210301 [1,1,0,0,0,0|2,0,0]=4 2966 B9R1.10 CN1CCC(CC1)(F)F 34a_100000724815_200000210301 [1,1,0,0,0,0|2,0,0]=4 2967 B9R1.10 CN1CCC(CC1)(O)O 269982a_100016987284_200000210301 [1,1,0,0,0,0|1,0,0]=3 2968 B9R1.10 [13CH3]N1CCC(CC1)(F)F 2230a_100000724815_200025704644 [1,1,0,0,0,0|2,0,0]=4 2969 B9R1.10 [13CH3]N1CCC(CC1)(F)F 269982a_100000724815_200025704644 [1,1,0,0,0,0|2,0,0]=4 2970 B9R1.10 [13CH3]N1CCC(CC1)(F)F 34a_100000724815_200025704644 [1,1,0,0,0,0|2,0,0]=4 2971 B9R1.10 [13CH3]N1CCC(CC1)(O)O 269982a_100016987284_200025704644 [1,1,0,0,0,0|1,0,0]=3 2972 B9R1.2 C#CC1CCCN(C1)C 2230a_100015191679_200000210301 [1,1,0,0,0,0|2,0,0]=4 2973 B9R1.2 C#CC1CCCN(C1)C 269982a_100015191679_200000210301 [1,1,0,0,0,0|2,0,0]=4 2974 B9R1.2 C#CC1CCCN(C1)C 34a_100015191679_200000210301 [1,1,0,0,0,0|2,0,0]=4 2975 B9R1.2 C#CC1CCCN(C1)[13CH3] 2230a_100015191679_200025704644 [1,1,0,0,0,0|2,0,0]=4 2976 B9R1.2 C#CC1CCCN(C1)[13CH3] 269982a_100015191679_200025704644 [1,1,0,0,0,0|2,0,0]=4 2977 B9R1.2 C#CC1CCCN(C1)[13CH3] 34a_100015191679_200025704644 [1,1,0,0,0,0|2,0,0]=4 2978 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [1,1,0,0,0,0|0,0,2]=4 2979 B9R1.2 CC1CC(CCO1)O[13CH3] 34a_100011986385_200025704644 [1,1,0,0,0,0|1,0,0]=3 2980 B9R1.2 CC1CC(CCO1)O[13CH3] 7a_100011986385_200025704644 [1,1,0,0,0,0|1,0,0]=3 2981 B9R1.2 CC1CCCC(C1)N[13CH3] 2230a_100011194320_200025704644 [1,1,0,0,0,0|1,0,0]=3 2982 B9R1.2 CC1CCCC(C1)N[13CH3] 34a_100011194320_200025704644 [1,1,0,0,0,0|1,0,0]=3 2983 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [1,1,0,0,0,0|0,0,0]=2 2984 B9R1.2 CCN1CCCC(C1)F 2230a_100000697950_100000210202 [1,1,0,0,0,0|2,0,0]=4 2985 B9R1.2 CCN1CCCC(C1)F 269982a_100000697950_100000204670 [1,1,0,0,0,0|2,0,0]=4 2986 B9R1.2 CCN1CCCC(C1)F 34a_100000697950_100000210202 [1,1,0,0,0,0|2,0,0]=4 2987 B9R1.2 CCN1CCCC(C1)O 2230a_100000211013_100000210202 [1,1,0,0,0,0|1,0,0]=3 2988 B9R1.2 CCN1CCCC(C1)O 269982a_100000211013_100000204670 [1,1,0,0,0,0|1,0,0]=3 2989 B9R1.2 CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210202 [1,1,0,0,0,0|2,0,0]=4 2990 B9R1.2 CCN1CCC[C@@H](C1)C 269982a_100000717927_100000204670 [1,1,0,0,0,0|2,0,0]=4 2991 B9R1.2 CCN1CCC[C@@H](C1)C 34a_100000717927_100000210202 [1,1,0,0,0,0|2,0,0]=4 2992 B9R1.2 CCN1CCOC(C1)O 2230a_100000688207_100000210202 [1,1,0,0,0,0|2,0,0]=4 2993 B9R1.2 CCN1CCOC(C1)O 269982a_100000688207_100000204670 [1,1,0,0,0,0|2,0,0]=4 2994 B9R1.2 CN1CCCC(C1)C#N 2230a_100016989302_200000210301 [1,1,0,0,0,0|2,0,0]=4 2995 B9R1.2 CN1CCCC(C1)C#N 269982a_206835378768_200000210301 [1,1,0,0,0,0|2,0,0]=4 2996 B9R1.2 CN1CCCC(C1)CF 2230a_100016992999_200000210301 [1,1,0,0,0,0|2,0,0]=4 2997 B9R1.2 CN1CCCC(C1)CF 269982a_100016992999_200000210301 [1,1,0,0,0,0|2,0,0]=4 2998 B9R1.2 CN1CCCC(C1)CF 34a_100016992999_200000210301 [1,1,0,0,0,0|2,0,0]=4 2999 B9R1.2 CN1CCCC(C1)CO 2230a_100000211344_200000210301 [1,1,0,0,0,0|1,0,0]=3 3000 B9R1.2 CN1CCCC(C1)CO 269982a_100000211344_200000210301 [1,1,0,0,0,0|1,0,0]=3 3001 B9R1.2 CN1CCCC(C1)CO 34a_100000211344_200000210301 [1,1,0,0,0,0|1,0,0]=3 3002 B9R1.2 CN1CCO[C@@H](C1)CO 2230a_100015189573_200000210301 [1,1,0,0,0,0|2,0,0]=4 3003 B9R1.2 CN1CCO[C@@H](C1)CO 269982a_100015189573_200000210301 [1,1,0,0,0,0|2,0,0]=4 3004 B9R1.2 CN1CCO[C@@H](C1)CO 34a_100015189573_200000210301 [1,1,0,0,0,0|2,0,0]=4 3005 B9R1.2 CNC1CCCC(C1)C 2230a_100011194320_200000210301 [1,1,0,0,0,0|1,0,0]=3 3006 B9R1.2 CNC1CCCC(C1)C 270004a_106832991635_100000183594 [1,1,0,0,0,0|1,0,0]=3 3007 B9R1.2 CNC1CCCC(C1)C 34a_100011194320_200000210301 [1,1,0,0,0,0|1,0,0]=3 3008 B9R1.2 CNC1CCCC(C1)O 2230a_100015190357_200000210301 [1,1,0,0,0,0|0,0,0]=2 3009 B9R1.2 CNC1CCCC(C1)O 270004a_106832991635_100012613340 [1,1,0,0,0,0|0,0,0]=2 3010 B9R1.2 CNC1CCN[C@@H](C1)C 270004a_106832991635_100016994030 [1,1,0,0,0,0|2,0,0]=4 3011 B9R1.2 CNC1CCOC(C1)C 270004a_106832991635_100000755752 [1,1,0,0,0,0|2,0,0]=4 3012 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [1,1,0,0,0,0|0,0,2]=4 3013 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [1,1,0,0,0,0|0,0,2]=4 3014 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [1,1,0,0,0,0|0,0,0]=2 3015 B9R1.2 COC1CCCN(C1)C 2230a_100000695604_200000210301 [1,1,0,0,0,0|1,0,0]=3 3016 B9R1.2 COC1CCCN(C1)C 269982a_100000695604_200000210301 [1,1,0,0,0,0|1,0,0]=3 3017 B9R1.2 COC1CCCN(C1)C 34a_100000695604_200000210301 [1,1,0,0,0,0|1,0,0]=3 3018 B9R1.2 COC1CCCN(C1)[13CH3] 2230a_100000695604_200025704644 [1,1,0,0,0,0|1,0,0]=3 3019 B9R1.2 COC1CCCN(C1)[13CH3] 269982a_100000695604_200025704644 [1,1,0,0,0,0|1,0,0]=3 3020 B9R1.2 COC1CCCN(C1)[13CH3] 34a_100000695604_200025704644 [1,1,0,0,0,0|1,0,0]=3 3021 B9R1.2 COC1CCOC(C1)C 34a_100011986385_200000210301 [1,1,0,0,0,0|1,0,0]=3 3022 B9R1.2 COC1CCOC(C1)C 7a_100011986385_200000210301 [1,1,0,0,0,0|1,0,0]=3 3023 B9R1.2 C[C@H]1CCCN(C1)CF 269982a_100000717927_100015361967 [1,1,0,0,0,0|2,0,0]=4 3024 B9R1.2 C[C@H]1CCCN(C1)CF 34a_100000717927_100015361967 [1,1,0,0,0,0|2,0,0]=4 3025 B9R1.2 FCN1CCCC(C1)F 269982a_100000697950_100015361967 [1,1,0,0,0,0|2,0,0]=4 3026 B9R1.2 FCN1CCCC(C1)F 34a_100000697950_100015361967 [1,1,0,0,0,0|2,0,0]=4 3027 B9R1.2 OC1CCCN(C1)CF 269982a_100000211013_100015361967 [1,1,0,0,0,0|1,0,0]=3 3028 B9R1.2 OC1CN(CCO1)CF 269982a_100000688207_100015361967 [1,1,0,0,0,0|2,0,0]=4 3029 B9R1.2 [13CH3]N1CCCC(C1)C#N 2230a_100016989302_200025704644 [1,1,0,0,0,0|2,0,0]=4 3030 B9R1.2 [13CH3]N1CCCC(C1)C#N 269982a_206835378768_200025704644 [1,1,0,0,0,0|2,0,0]=4 3031 B9R1.2 [13CH3]N1CCCC(C1)CF 2230a_100016992999_200025704644 [1,1,0,0,0,0|2,0,0]=4 3032 B9R1.2 [13CH3]N1CCCC(C1)CF 269982a_100016992999_200025704644 [1,1,0,0,0,0|2,0,0]=4 3033 B9R1.2 [13CH3]N1CCCC(C1)CF 34a_100016992999_200025704644 [1,1,0,0,0,0|2,0,0]=4 3034 B9R1.2 [13CH3]N1CCCC(C1)CO 2230a_100000211344_200025704644 [1,1,0,0,0,0|1,0,0]=3 3035 B9R1.2 [13CH3]N1CCCC(C1)CO 269982a_100000211344_200025704644 [1,1,0,0,0,0|1,0,0]=3 3036 B9R1.2 [13CH3]N1CCCC(C1)CO 34a_100000211344_200025704644 [1,1,0,0,0,0|1,0,0]=3 3037 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 2230a_100015189573_200025704644 [1,1,0,0,0,0|2,0,0]=4 3038 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 269982a_100015189573_200025704644 [1,1,0,0,0,0|2,0,0]=4 3039 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 34a_100015189573_200025704644 [1,1,0,0,0,0|2,0,0]=4 3040 B9R1.2 [13CH3]NC1CCCC(C1)O 2230a_100015190357_200025704644 [1,1,0,0,0,0|0,0,0]=2 3041 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [1,1,0,0,0,0|0,0,2]=4 3042 B9R1.3 CC1CCCC(N1C)C 2230a_100000210447_200000210301 [1,1,0,0,0,0|2,0,0]=4 3043 B9R1.3 CC1CCCC(N1C)C 269982a_100000210447_200000210301 [1,1,0,0,0,0|2,0,0]=4 3044 B9R1.3 CC1CCCC(N1C)C 34a_100000210447_200000210301 [1,1,0,0,0,0|2,0,0]=4 3045 B9R1.3 CC1CCCC(N1[13CH3])C 2230a_100000210447_200025704644 [1,1,0,0,0,0|2,0,0]=4 3046 B9R1.3 CC1CCCC(N1[13CH3])C 269982a_100000210447_200025704644 [1,1,0,0,0,0|2,0,0]=4 3047 B9R1.3 CC1CCCC(N1[13CH3])C 34a_100000210447_200025704644 [1,1,0,0,0,0|2,0,0]=4 3048 B9R1.34 CC1CC(CN(C1)C)C 2230a_100000210448_200000210301 [1,1,0,0,0,0|2,0,0]=4 3049 B9R1.34 CC1CC(CN(C1)C)C 269982a_100000210448_200000210301 [1,1,0,0,0,0|2,0,0]=4 3050 B9R1.34 CC1CC(CN(C1)C)C 34a_100000210448_200000210301 [1,1,0,0,0,0|2,0,0]=4 3051 B9R1.34 CC1CC(CN(C1)[13CH3])C 2230a_100000210448_200025704644 [1,1,0,0,0,0|2,0,0]=4 3052 B9R1.34 CC1CC(CN(C1)[13CH3])C 269982a_100000210448_200025704644 [1,1,0,0,0,0|2,0,0]=4 3053 B9R1.34 CC1CC(CN(C1)[13CH3])C 34a_100000210448_200025704644 [1,1,0,0,0,0|2,0,0]=4 3054 B9R1.66 CC1(CCCN(C1)[13CH3])C 2230a_100000716857_200025704644 [1,1,0,0,0,0|2,0,0]=4 3055 B9R1.66 CC1(CCCN(C1)[13CH3])C 269982a_100000716857_200025704644 [1,1,0,0,0,0|2,0,0]=4 3056 B9R1.66 CC1(CCCN(C1)[13CH3])C 34a_100000716857_200025704644 [1,1,0,0,0,0|2,0,0]=4 3057 B9R1.66 CC1(CCCN(C1)[13CH3])O 2230a_100000695535_200025704644 [1,1,0,0,0,0|1,0,0]=3 3058 B9R1.66 CC1(CCCN(C1)[13CH3])O 269982a_100000695535_200025704644 [1,1,0,0,0,0|1,0,0]=3 3059 B9R1.66 CN1CCCC(C1)(C)C 2230a_100000716857_200000210301 [1,1,0,0,0,0|2,0,0]=4 3060 B9R1.66 CN1CCCC(C1)(C)C 269982a_100000716857_200000210301 [1,1,0,0,0,0|2,0,0]=4 3061 B9R1.66 CN1CCCC(C1)(C)C 34a_100000716857_200000210301 [1,1,0,0,0,0|2,0,0]=4 3062 B9R1.66 CN1CCCC(C1)(C)O 2230a_100000695535_200000210301 [1,1,0,0,0,0|1,0,0]=3 3063 B9R1.66 CN1CCCC(C1)(C)O 269982a_100000695535_200000210301 [1,1,0,0,0,0|1,0,0]=3 3064 B9R1.66 CN1CCCC(C1)(F)F 2230a_100000732682_200000210301 [1,1,0,0,0,0|2,0,0]=4 3065 B9R1.66 CN1CCCC(C1)(F)F 269982a_100000732682_200000210301 [1,1,0,0,0,0|2,0,0]=4 3066 B9R1.66 CN1CCCC(C1)(F)F 34a_100000732682_200000210301 [1,1,0,0,0,0|2,0,0]=4 3067 B9R1.66 [13CH3]N1CCCC(C1)(F)F 2230a_100000732682_200025704644 [1,1,0,0,0,0|2,0,0]=4 3068 B9R1.66 [13CH3]N1CCCC(C1)(F)F 269982a_100000732682_200025704644 [1,1,0,0,0,0|2,0,0]=4 3069 B9R1.66 [13CH3]N1CCCC(C1)(F)F 34a_100000732682_200025704644 [1,1,0,0,0,0|2,0,0]=4 3070 B9R1.15 C#CC1CCCCN1C 2230a_200020621307_200000210301 [1,1,0,0,0,0|1,0,1]=4 3071 B9R1.15 C#CC1CCCCN1C 269982a_200020621307_200000210301 [1,1,0,0,0,0|1,0,1]=4 3072 B9R1.15 C#CC1CCCCN1C 34a_200020621307_200000210301 [1,1,0,0,0,0|1,0,1]=4 3073 B9R1.15 C#CC1CCCCN1[13CH3] 2230a_200020621307_200025704644 [1,1,0,0,0,0|1,0,1]=4 3074 B9R1.15 C#CC1CCCCN1[13CH3] 269982a_200020621307_200025704644 [1,1,0,0,0,0|1,0,1]=4 3075 B9R1.15 C#CC1CCCCN1[13CH3] 34a_200020621307_200025704644 [1,1,0,0,0,0|1,0,1]=4 3076 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [1,1,0,0,0,0|0,0,0]=2 3077 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [1,1,0,0,0,0|0,0,0]=2 3078 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [1,1,0,0,0,0|0,0,0]=2 3079 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [1,1,0,0,0,0|0,0,0]=2 3080 B9R1.15 CC1CCCCN1CF 269982a_100000211376_100015361967 [1,1,0,0,0,0|1,0,0]=3 3081 B9R1.15 CC1CCCCN1CF 34a_100000211376_100015361967 [1,1,0,0,0,0|1,0,0]=3 3082 B9R1.15 CC1CCNCC1O[13CH3] 34a_100000696640_200025704644 [1,1,0,0,0,0|1,0,0]=3 3083 B9R1.15 CC1CNCCC1O[13CH3] 34a_100011998114_200025704644 [1,1,0,0,0,0|1,0,0]=3 3084 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [1,1,0,0,0,0|1,0,0]=3 3085 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [1,1,0,0,0,0|1,0,0]=3 3086 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [1,1,0,0,0,0|1,0,0]=3 3087 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [1,1,0,0,0,0|1,0,0]=3 3088 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [1,1,0,0,0,0|1,0,0]=3 3089 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [1,1,0,0,0,0|1,0,0]=3 3090 B9R1.15 CCN1CCCCC1C 2230a_100000211376_100000210202 [1,1,0,0,0,0|1,0,0]=3 3091 B9R1.15 CCN1CCCCC1C 269982a_100000211376_100000204670 [1,1,0,0,0,0|1,0,0]=3 3092 B9R1.15 CCN1CCCCC1C 34a_100000211376_100000210202 [1,1,0,0,0,0|1,0,0]=3 3093 B9R1.15 CCN1CCOC[C@@H]1C 2230a_100009815349_100000210202 [1,1,0,0,0,0|2,0,0]=4 3094 B9R1.15 CCN1CCOC[C@@H]1C 269982a_100009815349_100000204670 [1,1,0,0,0,0|2,0,0]=4 3095 B9R1.15 CCN1CCOC[C@@H]1C 34a_100009815349_100000210202 [1,1,0,0,0,0|2,0,0]=4 3096 B9R1.15 CC[C@H]1COCCN1C 2230a_100016988097_200000210301 [1,1,0,0,0,0|2,0,0]=4 3097 B9R1.15 CC[C@H]1COCCN1C 269982a_100016988097_200000210301 [1,1,0,0,0,0|2,0,0]=4 3098 B9R1.15 CC[C@H]1COCCN1C 34a_100016988097_200000210301 [1,1,0,0,0,0|2,0,0]=4 3099 B9R1.15 CC[C@H]1COCCN1[13CH3] 2230a_100016988097_200025704644 [1,1,0,0,0,0|2,0,0]=4 3100 B9R1.15 CC[C@H]1COCCN1[13CH3] 269982a_100016988097_200025704644 [1,1,0,0,0,0|2,0,0]=4 3101 B9R1.15 CC[C@H]1COCCN1[13CH3] 34a_100016988097_200025704644 [1,1,0,0,0,0|2,0,0]=4 3102 B9R1.15 CN1CCCCC1C#N 34a_100016989756_200000210301 [1,1,0,0,0,0|1,0,1]=4 3103 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [1,1,0,0,0,0|1,0,0]=3 3104 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [1,1,0,0,0,0|1,0,0]=3 3105 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [1,1,0,0,0,0|1,0,0]=3 3106 B9R1.15 CN1CCOC[C@H]1CO 2230a_100000717676_200000210301 [1,1,0,0,0,0|2,0,0]=4 3107 B9R1.15 CN1CCOC[C@H]1CO 269982a_100000717676_200000210301 [1,1,0,0,0,0|2,0,0]=4 3108 B9R1.15 CN1CCOC[C@H]1CO 34a_100000717676_200000210301 [1,1,0,0,0,0|2,0,0]=4 3109 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [1,1,0,0,0,0|1,0,1]=4 3110 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [1,1,0,0,0,0|1,0,1]=4 3111 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [1,1,0,0,0,0|0,0,0]=2 3112 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [1,1,0,0,0,0|0,0,0]=2 3113 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [1,1,0,0,0,0|0,0,0]=2 3114 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [1,1,0,0,0,0|0,0,0]=2 3115 B9R1.15 CNC1CCCCC1F 34a_100102657272_100015423560 [1,1,0,0,0,0|1,0,0]=3 3116 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [1,1,0,0,0,0|1,0,0]=3 3117 B9R1.15 CNC1CCNCC1C 270004a_106832991635_100000703950 [1,1,0,0,0,0|1,0,0]=3 3118 B9R1.15 CNC1CCOCC1C 270004a_106832991635_100000755695 [1,1,0,0,0,0|1,0,0]=3 3119 B9R1.15 CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200000210301 [1,1,0,0,0,0|1,0,0]=3 3120 B9R1.15 CN[C@@H]1CCCC[C@H]1F 34a_100015195156_200000210301 [1,1,0,0,0,0|1,0,0]=3 3121 B9R1.15 CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200000210301 [1,1,0,0,0,0|2,0,0]=4 3122 B9R1.15 CN[C@H]1CCOC[C@@H]1F 2230a_100016994078_200000210301 [1,1,0,0,0,0|2,0,0]=4 3123 B9R1.15 CN[C@H]1CCOC[C@@H]1F 34a_100016994078_200000210301 [1,1,0,0,0,0|2,0,0]=4 3124 B9R1.15 CN[C@H]1COCC[C@@H]1O 2230a_100015739063_200000210301 [1,1,0,0,0,0|2,0,0]=4 3125 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [1,1,0,0,0,0|1,0,1]=4 3126 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [1,1,0,0,0,0|1,0,1]=4 3127 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [1,1,0,0,0,0|0,0,0]=2 3128 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [1,1,0,0,0,0|0,0,0]=2 3129 B9R1.15 COC1CCCCC1Cl 34a_100000038908_200000210301 [1,1,0,0,0,0|1,0,0]=3 3130 B9R1.15 COC1CCCCC1Cl 7a_100000038908_200000210301 [1,1,0,0,0,0|1,0,0]=3 3131 B9R1.15 COC1CCCCC1F 34a_100138415774_100015423560 [1,1,0,0,0,0|1,0,0]=3 3132 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [1,1,0,0,0,0|1,0,0]=3 3133 B9R1.15 COC1CCNCC1C 34a_100011998114_200000210301 [1,1,0,0,0,0|1,0,0]=3 3134 B9R1.15 COC1CNCCC1C 34a_100000696640_200000210301 [1,1,0,0,0,0|1,0,0]=3 3135 B9R1.15 CO[C@@H]1CCCC[C@H]1F 34a_100009816020_200000210301 [1,1,0,0,0,0|1,0,0]=3 3136 B9R1.15 CO[C@@H]1CCCC[C@H]1F 7a_100009816020_200000210301 [1,1,0,0,0,0|1,0,0]=3 3137 B9R1.15 CO[C@@H]1CCNC[C@@H]1F 34a_200016994291_200000210301 [1,1,0,0,0,0|2,0,0]=4 3138 B9R1.15 CO[C@H]1CCCC[C@H]1N 34a_100015191688_200000210301 [1,1,0,0,0,0|1,0,0]=3 3139 B9R1.15 CO[C@H]1CCOC[C@@H]1N 34a_100015739063_200000210301 [1,1,0,0,0,0|2,0,0]=4 3140 B9R1.15 CO[C@H]1COCC[C@H]1N 34a_100016994285_200000210301 [1,1,0,0,0,0|2,0,0]=4 3141 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [1,1,0,0,0,0|1,0,1]=4 3142 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [1,1,0,0,0,0|1,0,1]=4 3143 B9R1.15 CSC1CCCCC1F 62a_100015423560_200000210301 [1,1,0,0,0,0|1,0,0]=3 3144 B9R1.15 CSC1CCCCC1F 62a_200000210301_100015423560 [1,1,0,0,0,0|1,0,0]=3 3145 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [1,1,0,0,0,0|1,0,0]=3 3146 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [1,1,0,0,0,0|1,0,0]=3 3147 B9R1.15 C[C@H]1COCCN1CF 269982a_100009815349_100015361967 [1,1,0,0,0,0|2,0,0]=4 3148 B9R1.15 C[C@H]1COCCN1CF 34a_100009815349_100015361967 [1,1,0,0,0,0|2,0,0]=4 3149 B9R1.15 [13CH3]N1CCCCC1C#N 34a_100016989756_200025704644 [1,1,0,0,0,0|1,0,1]=4 3150 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [1,1,0,0,0,0|1,0,0]=3 3151 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [1,1,0,0,0,0|1,0,0]=3 3152 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [1,1,0,0,0,0|1,0,0]=3 3153 B9R1.15 [13CH3]N1CCOC[C@H]1CO 2230a_100000717676_200025704644 [1,1,0,0,0,0|2,0,0]=4 3154 B9R1.15 [13CH3]N1CCOC[C@H]1CO 269982a_100000717676_200025704644 [1,1,0,0,0,0|2,0,0]=4 3155 B9R1.15 [13CH3]N1CCOC[C@H]1CO 34a_100000717676_200025704644 [1,1,0,0,0,0|2,0,0]=4 3156 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 2230a_100015195156_200025704644 [1,1,0,0,0,0|1,0,0]=3 3157 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 34a_100015195156_200025704644 [1,1,0,0,0,0|1,0,0]=3 3158 B9R1.15 [13CH3]N[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200025704644 [1,1,0,0,0,0|2,0,0]=4 3159 B9R1.15 [13CH3]N[C@H]1CCOC[C@@H]1F 2230a_100016994078_200025704644 [1,1,0,0,0,0|2,0,0]=4 3160 B9R1.15 [13CH3]N[C@H]1CCOC[C@@H]1F 34a_100016994078_200025704644 [1,1,0,0,0,0|2,0,0]=4 3161 B9R1.15 [13CH3]N[C@H]1COCC[C@@H]1O 2230a_100015739063_200025704644 [1,1,0,0,0,0|2,0,0]=4 3162 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [1,1,0,0,0,0|1,0,1]=4 3163 B9R1.15 [13CH3]OC1CCCCC1Cl 34a_100000038908_200025704644 [1,1,0,0,0,0|1,0,0]=3 3164 B9R1.15 [13CH3]OC1CCCCC1Cl 7a_100000038908_200025704644 [1,1,0,0,0,0|1,0,0]=3 3165 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 34a_100009816020_200025704644 [1,1,0,0,0,0|1,0,0]=3 3166 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 7a_100009816020_200025704644 [1,1,0,0,0,0|1,0,0]=3 3167 B9R1.15 [13CH3]O[C@@H]1CCNC[C@@H]1F 34a_200016994291_200025704644 [1,1,0,0,0,0|2,0,0]=4 3168 B9R1.15 [13CH3]O[C@H]1CCCC[C@H]1N 34a_100015191688_200025704644 [1,1,0,0,0,0|1,0,0]=3 3169 B9R1.15 [13CH3]O[C@H]1CCOC[C@@H]1N 34a_100015739063_200025704644 [1,1,0,0,0,0|2,0,0]=4 3170 B9R1.15 [13CH3]O[C@H]1COCC[C@H]1N 34a_100016994285_200025704644 [1,1,0,0,0,0|2,0,0]=4 3171 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [1,1,0,0,0,0|1,0,1]=4 3172 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [1,1,0,0,0,0|1,0,1]=4 3173 B9R1.15 [13CH3]SC1CCCCC1F 62a_100015423560_200025704644 [1,1,0,0,0,0|1,0,0]=3 3174 B9R1.15 [13CH3]SC1CCCCC1F 62a_200025704644_100015423560 [1,1,0,0,0,0|1,0,0]=3 3175 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [1,1,0,0,0,0|1,0,0]=3 3176 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [1,1,0,0,0,0|1,0,0]=3 3177 B9R1.40 CC1(COCCN1[13CH3])C 2230a_100000724681_200025704644 [1,1,0,0,0,0|2,0,0]=4 3178 B9R1.40 CC1(COCCN1[13CH3])C 269982a_100000724681_200025704644 [1,1,0,0,0,0|2,0,0]=4 3179 B9R1.40 CC1(COCCN1[13CH3])C 34a_100000724681_200025704644 [1,1,0,0,0,0|2,0,0]=4 3180 B9R1.40 CN1CCOCC1(C)C 2230a_100000724681_200000210301 [1,1,0,0,0,0|2,0,0]=4 3181 B9R1.40 CN1CCOCC1(C)C 269982a_100000724681_200000210301 [1,1,0,0,0,0|2,0,0]=4 3182 B9R1.40 CN1CCOCC1(C)C 34a_100000724681_200000210301 [1,1,0,0,0,0|2,0,0]=4 3183 B9R1.22 CN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_200000210301 [0,1,0,0,1,0|1,0,0]=3 3184 B9R1.22 CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_200000210301 [0,1,0,0,1,0|1,0,0]=3 3185 B9R1.22 CN1C[C@H](C[C@H]1CO)F 2230a_100015204000_200000210301 [0,1,0,0,1,0|2,0,0]=4 3186 B9R1.22 CN1C[C@H](C[C@H]1CO)F 269982a_100015204000_200000210301 [0,1,0,0,1,0|2,0,0]=4 3187 B9R1.22 CN1C[C@H](C[C@H]1CO)F 34a_100015204000_200000210301 [0,1,0,0,1,0|2,0,0]=4 3188 B9R1.22 [13CH3]N1C[C@@H](C[C@H]1CO)O 2230a_100000707816_200025704644 [0,1,0,0,1,0|1,0,0]=3 3189 B9R1.22 [13CH3]N1C[C@@H](C[C@H]1CO)O 269982a_100000707816_200025704644 [0,1,0,0,1,0|1,0,0]=3 3190 B9R1.22 [13CH3]N1C[C@H](C[C@H]1CO)F 2230a_100015204000_200025704644 [0,1,0,0,1,0|2,0,0]=4 3191 B9R1.22 [13CH3]N1C[C@H](C[C@H]1CO)F 269982a_100015204000_200025704644 [0,1,0,0,1,0|2,0,0]=4 3192 B9R1.22 [13CH3]N1C[C@H](C[C@H]1CO)F 34a_100015204000_200025704644 [0,1,0,0,1,0|2,0,0]=4 3193 B9R1.27 CC1CCC(N1CF)C 269982a_100000687148_100015361967 [0,1,0,0,1,0|2,0,0]=4 3194 B9R1.27 CC1CCC(N1CF)C 34a_100000687148_100015361967 [0,1,0,0,1,0|2,0,0]=4 3195 B9R1.27 CCN1C(CCC1C)C 2230a_100000687148_100000210202 [0,1,0,0,1,0|2,0,0]=4 3196 B9R1.27 CCN1C(CCC1C)C 269982a_100000687148_100000204670 [0,1,0,0,1,0|2,0,0]=4 3197 B9R1.27 CCN1C(CCC1C)C 34a_100000687148_100000210202 [0,1,0,0,1,0|2,0,0]=4 3198 B9R1.106 CC1CCN(C1(C)C)C 2230a_102516457003_200000210301 [0,1,0,0,1,0|2,0,0]=4 3199 B9R1.106 CC1CCN(C1(C)C)C 269982a_102516457003_200000210301 [0,1,0,0,1,0|2,0,0]=4 3200 B9R1.106 CC1CCN(C1(C)C)C 34a_102516457003_200000210301 [0,1,0,0,1,0|2,0,0]=4 3201 B9R1.106 CC1CCN(C1(C)C)[13CH3] 2230a_102516457003_200025704644 [0,1,0,0,1,0|2,0,0]=4 3202 B9R1.106 CC1CCN(C1(C)C)[13CH3] 269982a_102516457003_200025704644 [0,1,0,0,1,0|2,0,0]=4 3203 B9R1.106 CC1CCN(C1(C)C)[13CH3] 34a_102516457003_200025704644 [0,1,0,0,1,0|2,0,0]=4 3204 B9R1.138 CC1CCC(N1C)(C)C 2230a_100015204717_200000210301 [0,1,0,0,1,0|2,0,0]=4 3205 B9R1.138 CC1CCC(N1C)(C)C 269982a_100015204717_200000210301 [0,1,0,0,1,0|2,0,0]=4 3206 B9R1.138 CC1CCC(N1C)(C)C 34a_100015204717_200000210301 [0,1,0,0,1,0|2,0,0]=4 3207 B9R1.138 CC1CCC(N1[13CH3])(C)C 2230a_100015204717_200025704644 [0,1,0,0,1,0|2,0,0]=4 3208 B9R1.138 CC1CCC(N1[13CH3])(C)C 269982a_100015204717_200025704644 [0,1,0,0,1,0|2,0,0]=4 3209 B9R1.138 CC1CCC(N1[13CH3])(C)C 34a_100015204717_200025704644 [0,1,0,0,1,0|2,0,0]=4 3210 B9R1.138 CC1N(CCC1(C)C)C 2230a_100102837566_200000210301 [0,1,0,0,1,0|2,0,0]=4 3211 B9R1.138 CC1N(CCC1(C)C)C 269982a_100102837566_200000210301 [0,1,0,0,1,0|2,0,0]=4 3212 B9R1.138 CC1N(CCC1(C)C)C 34a_100102837566_200000210301 [0,1,0,0,1,0|2,0,0]=4 3213 B9R1.138 CC1N(CCC1(C)C)[13CH3] 2230a_100102837566_200025704644 [0,1,0,0,1,0|2,0,0]=4 3214 B9R1.138 CC1N(CCC1(C)C)[13CH3] 269982a_100102837566_200025704644 [0,1,0,0,1,0|2,0,0]=4 3215 B9R1.138 CC1N(CCC1(C)C)[13CH3] 34a_100102837566_200025704644 [0,1,0,0,1,0|2,0,0]=4 3216 B11R1.649 CC1(CC(CCN(C1)[13CH3])O)C 2230a_100000061064_200025704644 [0,1,0,0,0,1|1,0,0]=3 3217 B11R1.649 CC1(CC(CCN(C1)[13CH3])O)C 269982a_100000061064_200025704644 [0,1,0,0,0,1|1,0,0]=3 3218 B11R1.649 CN1CCC(CC(C1)(C)C)O 2230a_100000061064_200000210301 [0,1,0,0,0,1|1,0,0]=3 3219 B11R1.649 CN1CCC(CC(C1)(C)C)O 269982a_100000061064_200000210301 [0,1,0,0,0,1|1,0,0]=3 3220 B11R1.38 CC1(CC(CCN1CF)O)C 269982a_100102422732_100015361967 [0,2,0,0,0,0|1,0,0]=3 3221 B11R1.38 CCN1CCC(CC1(C)C)O 2230a_100102422732_100000210202 [0,2,0,0,0,0|1,0,0]=3 3222 B11R1.38 CCN1CCC(CC1(C)C)O 269982a_100102422732_100000204670 [0,2,0,0,0,0|1,0,0]=3 3223 B11R1.38 COC1CCN(CC1(C)C)C 2230a_100015203941_200000210301 [0,2,0,0,0,0|2,0,0]=4 3224 B11R1.38 COC1CCN(CC1(C)C)C 269982a_100015203941_200000210301 [0,2,0,0,0,0|2,0,0]=4 3225 B11R1.38 COC1CCN(CC1(C)C)C 34a_100015203941_200000210301 [0,2,0,0,0,0|2,0,0]=4 3226 B11R1.38 COC1CCN(CC1(C)C)[13CH3] 2230a_100015203941_200025704644 [0,2,0,0,0,0|2,0,0]=4 3227 B11R1.38 COC1CCN(CC1(C)C)[13CH3] 269982a_100015203941_200025704644 [0,2,0,0,0,0|2,0,0]=4 3228 B11R1.38 COC1CCN(CC1(C)C)[13CH3] 34a_100015203941_200025704644 [0,2,0,0,0,0|2,0,0]=4 3229 B11R1.81 CC1CCC(C(C1)C)OCF 34a_100011539931_100015361967 [0,2,0,0,0,0|1,0,0]=3 3230 B11R1.81 CC1CCC(C(C1)C)OCF 7a_100011539931_100015361967 [0,2,0,0,0,0|1,0,0]=3 3231 B11R1.81 CCOC1CCC(CC1C)C 34a_100011539931_100000210202 [0,2,0,0,0,0|1,0,0]=3 3232 B11R1.81 CCOC1CCC(CC1C)C 7a_100011539931_100000210202 [0,2,0,0,0,0|1,0,0]=3 3233 B11R1.166 CN1CC(CCC1C(=O)O)O 269956a_100000089875_200000210301 [0,2,0,0,0,0|1,0,1]=4 3234 B11R1.166 [13CH3]N1CC(CCC1C(=O)O)O 269956a_100000089875_200025704644 [0,2,0,0,0,0|1,0,1]=4 3235 B11R1.279 CCN1CCC(C(C1)C)NC 270004a_106832991635_100000759811 [0,2,0,0,0,0|2,0,0]=4 3236 B11R1.167 CC1CCC(C(C1)N(C)C)C 270004a_100102631434_100000034887 [0,2,0,0,0,0|1,0,0]=3 3237 B11R1.182 CC1CCC(C(C1)OCF)C 34a_100011217446_100015361967 [0,2,0,0,0,0|1,0,0]=3 3238 B11R1.182 CC1CCC(C(C1)OCF)C 7a_100011217446_100015361967 [0,2,0,0,0,0|1,0,0]=3 3239 B11R1.182 CCNC1CC(CCC1C)C 269862a_100015525214_100000034887 [0,2,0,0,0,0|1,0,0]=3 3240 B11R1.182 CCNC1CC(CCC1C)C 270004a_100015525214_100000034887 [0,2,0,0,0,0|1,0,0]=3 3241 B11R1.182 CCOC1CC(CCC1C)C 34a_100011217446_100000210202 [0,2,0,0,0,0|1,0,0]=3 3242 B11R1.182 CCOC1CC(CCC1C)C 7a_100011217446_100000210202 [0,2,0,0,0,0|1,0,0]=3 3243 B11R1.280 CCC1CCC(N(C1)CC)C 2230a_100011219223_100000210202 [0,2,0,0,0,0|2,0,0]=4 3244 B11R1.280 CCC1CCC(N(C1)CC)C 269982a_100011219223_100000204670 [0,2,0,0,0,0|2,0,0]=4 3245 B11R1.280 CCC1CCC(N(C1)CC)C 34a_100011219223_100000210202 [0,2,0,0,0,0|2,0,0]=4 3246 B11R1.280 CCC1CCC(N(C1)CF)C 269982a_100011219223_100015361967 [0,2,0,0,0,0|2,0,0]=4 3247 B11R1.280 CCC1CCC(N(C1)CF)C 34a_100011219223_100015361967 [0,2,0,0,0,0|2,0,0]=4 3248 B11R1.281 CC1(C[C@H](CC[C@@H]1O)N[13CH3])C 2230a_206256553148_200025704644 [0,2,0,0,0,0|2,0,0]=4 3249 B11R1.281 CN[C@H]1CC[C@@H](C(C1)(C)C)O 2230a_206256553148_200000210301 [0,2,0,0,0,0|2,0,0]=4 3250 B11R1.21 CC1CC(CCN1C)N(C)C 2230a_206256037340_200000210301 [0,2,0,0,0,0|2,0,0]=4 3251 B11R1.21 CC1CC(CCN1C)N(C)C 269982a_206256037340_200000210301 [0,2,0,0,0,0|2,0,0]=4 3252 B11R1.21 CC1CC(CCN1[13CH3])N(C)C 2230a_206256037340_200025704644 [0,2,0,0,0,0|2,0,0]=4 3253 B11R1.21 CC1CC(CCN1[13CH3])N(C)C 269982a_206256037340_200025704644 [0,2,0,0,0,0|2,0,0]=4 3254 B11R1.21 CC1CCC(CC1C)N(C)C 270004a_100102631434_100000759390 [0,2,0,0,0,0|1,0,0]=3 3255 B11R1.192 CC1CCC(CC1C)OCF 34a_100011215933_100015361967 [0,2,0,0,0,0|0,0,0]=2 3256 B11R1.192 CC1CCC(CC1C)OCF 7a_100011215933_100015361967 [0,2,0,0,0,0|0,0,0]=2 3257 B11R1.192 CC1CCN(CC1O)CCO 2230a_100000696640_100000211926 [0,2,0,0,0,0|2,0,0]=4 3258 B11R1.192 CC1CCN(CC1O)CCO 269982a_100000696640_100000211926 [0,2,0,0,0,0|2,0,0]=4 3259 B11R1.192 CC1CN(CCC1O)CCO 2230a_100011998114_100000211926 [0,2,0,0,0,0|2,0,0]=4 3260 B11R1.192 CC1CN(CCC1O)CCO 269982a_100011998114_100000211926 [0,2,0,0,0,0|2,0,0]=4 3261 B11R1.192 CCNC1CCC(C(C1)C)C 270004a_100015525214_100000759390 [0,2,0,0,0,0|1,0,0]=3 3262 B11R1.192 CCOC1CCC(C(C1)C)C 34a_100011215933_100000210202 [0,2,0,0,0,0|0,0,0]=2 3263 B11R1.192 CCOC1CCC(C(C1)C)C 7a_100011215933_100000210202 [0,2,0,0,0,0|0,0,0]=2 3264 B11R1.192 COCN1CCC(C(C1)C)O 2230a_100011998114_100000766300 [0,2,0,0,0,0|2,0,0]=4 3265 B11R1.192 COCN1CCC(C(C1)C)O 269982a_100011998114_100000766300 [0,2,0,0,0,0|2,0,0]=4 3266 B11R1.192 COCN1CCC(C(C1)O)C 2230a_100000696640_100000766300 [0,2,0,0,0,0|2,0,0]=4 3267 B11R1.192 COCN1CCC(C(C1)O)C 269982a_100000696640_100000766300 [0,2,0,0,0,0|2,0,0]=4 3268 B11R1.192 COCN1CCN([C@H](C1)C)C 2230a_100020603432_100000766300 [0,2,0,0,0,0|2,0,0]=4 3269 B11R1.192 COCN1CCN([C@H](C1)C)C 269982a_100020603432_100000766300 [0,2,0,0,0,0|2,0,0]=4 3270 B11R1.192 C[C@H]1CN(CCN1C)CCO 2230a_100020603432_100000211926 [0,2,0,0,0,0|2,0,0]=4 3271 B11R1.192 C[C@H]1CN(CCN1C)CCO 269982a_100020603432_100000211926 [0,2,0,0,0,0|2,0,0]=4 3272 B9R1.7 CCCN1CC[C@H](C1)C 2230a_100016987628_100000210303 [0,0,1,1,0,0|2,0,0]=4 3273 B9R1.7 CCCN1CC[C@H](C1)C 269982a_100016987628_100000210303 [0,0,1,1,0,0|2,0,0]=4 3274 B9R1.7 CCCN1CC[C@H](C1)C 34a_100016987628_100000210303 [0,0,1,1,0,0|2,0,0]=4 3275 B9R1.7 CCNC1CCC(C1)C 270004a_100015525214_100011215218 [0,0,1,1,0,0|2,0,0]=4 3276 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [0,0,1,1,0,0|2,0,0]=4 3277 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [0,0,1,1,0,0|2,0,0]=4 3278 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [0,0,1,1,0,0|2,0,0]=4 3279 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [0,0,1,1,0,0|2,0,0]=4 3280 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [0,0,1,1,0,0|2,0,0]=4 3281 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [0,0,1,1,0,0|2,0,0]=4 3282 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [0,0,1,1,0,0|2,0,0]=4 3283 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [0,0,1,1,0,0|1,0,0]=3 3284 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [0,0,1,1,0,0|2,0,0]=4 3285 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [0,0,1,1,0,0|2,0,0]=4 3286 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [0,0,1,1,0,0|2,0,0]=4 3287 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [0,0,1,1,0,0|2,0,0]=4 3288 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [0,0,1,1,0,0|2,0,0]=4 3289 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [0,0,1,1,0,0|2,0,0]=4 3290 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [0,0,1,1,0,0|2,0,0]=4 3291 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [0,0,1,1,0,0|2,0,0]=4 3292 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [0,0,1,1,0,0|1,0,0]=3 3293 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [0,0,1,1,0,0|1,0,0]=3 3294 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [0,0,1,1,0,0|1,0,0]=3 3295 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [0,0,1,1,0,0|1,0,0]=3 3296 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [0,0,1,1,0,0|1,0,0]=3 3297 B9R1.8 CNC[C@H]1COCCO1 2230a_100010981119_200000210301 [0,0,1,1,0,0|2,0,0]=4 3298 B9R1.8 CNC[C@H]1COCCO1 34a_100010981119_200000210301 [0,0,1,1,0,0|2,0,0]=4 3299 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [0,0,1,1,0,0|2,0,0]=4 3300 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [0,0,1,1,0,0|2,0,0]=4 3301 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [0,0,1,1,0,0|2,0,0]=4 3302 B9R1.8 COCC1CCCCN1 34a_100000210821_200000210301 [0,0,1,1,0,0|2,0,0]=4 3303 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [0,0,1,1,0,0|1,0,0]=3 3304 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [0,0,1,1,0,0|1,0,0]=3 3305 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [0,0,1,1,0,0|1,0,0]=3 3306 B9R1.8 COC[C@@H]1CNCCO1 34a_100015189573_200000210301 [0,0,1,1,0,0|2,0,0]=4 3307 B9R1.8 COC[C@H]1COCCO1 34a_100009875890_200000210301 [0,0,1,1,0,0|2,0,0]=4 3308 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [0,0,1,1,0,0|2,0,0]=4 3309 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [0,0,1,1,0,0|2,0,0]=4 3310 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [0,0,1,1,0,0|1,0,0]=3 3311 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [0,0,1,1,0,0|1,0,0]=3 3312 B9R1.8 FCOC1CCCCO1 34a_100000033831_100015361967 [0,0,1,1,0,0|2,0,0]=4 3313 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [0,0,1,1,0,0|2,0,0]=4 3314 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [0,0,1,1,0,0|2,0,0]=4 3315 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [0,0,1,1,0,0|1,0,0]=3 3316 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [0,0,1,1,0,0|1,0,0]=3 3317 B9R1.8 [13CH3]NC[C@H]1COCCO1 2230a_100010981119_200025704644 [0,0,1,1,0,0|2,0,0]=4 3318 B9R1.8 [13CH3]NC[C@H]1COCCO1 34a_100010981119_200025704644 [0,0,1,1,0,0|2,0,0]=4 3319 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [0,0,1,1,0,0|2,0,0]=4 3320 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [0,0,1,1,0,0|2,0,0]=4 3321 B9R1.8 [13CH3]OCC1CCCCN1 34a_100000210821_200025704644 [0,0,1,1,0,0|2,0,0]=4 3322 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [0,0,1,1,0,0|1,0,0]=3 3323 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [0,0,1,1,0,0|1,0,0]=3 3324 B9R1.8 [13CH3]OC[C@@H]1CNCCO1 34a_100015189573_200025704644 [0,0,1,1,0,0|2,0,0]=4 3325 B9R1.8 [13CH3]OC[C@H]1COCCO1 34a_100009875890_200025704644 [0,0,1,1,0,0|2,0,0]=4 3326 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [0,0,1,1,0,0|2,0,0]=4 3327 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [0,0,1,1,0,0|2,0,0]=4 3328 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [0,0,1,1,0,0|1,0,0]=3 3329 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [0,0,1,1,0,0|1,0,0]=3 3330 B9R1.9 CCCCN1CC(C1)C 2230a_100000702820_100000210211 [0,0,1,1,0,0|2,0,0]=4 3331 B9R1.9 CCCCN1CC(C1)C 269982a_100000702820_100000210211 [0,0,1,1,0,0|2,0,0]=4 3332 B9R1.9 CCCCN1CC(C1)C 34a_100000702820_100000210210 [0,0,1,1,0,0|2,0,0]=4 3333 B9R1.12 CCCCN1CCCC1 2230a_100000188435_100000210211 [0,0,1,1,0,0|2,0,0]=4 3334 B9R1.12 CCCCN1CCCC1 269982a_100000188435_100000210211 [0,0,1,1,0,0|2,0,0]=4 3335 B9R1.12 CCCNC1CCCC1 2230a_100000211070_100000210303 [0,0,1,1,0,0|2,0,0]=4 3336 B9R1.12 CCCNC1CCCC1 270004a_100020643023_100000210133 [0,0,1,1,0,0|2,0,0]=4 3337 B9R1.12 CCCNC1CCCC1 34a_100000211070_100000210303 [0,0,1,1,0,0|2,0,0]=4 3338 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [0,0,1,1,0,0|2,0,0]=4 3339 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [0,0,1,1,0,0|2,0,0]=4 3340 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [0,0,1,1,0,0|2,0,0]=4 3341 B9R1.12 CCCOC1CCCO1 34a_100000085407_100000210303 [0,0,1,1,0,0|1,0,0]=3 3342 B9R1.12 CCCSC1CCCC1 62a_100000210303_100000179811 [0,0,1,1,0,0|2,0,0]=4 3343 B9R1.12 CCCSC1CCCC1 62a_100011217020_100000210303 [0,0,1,1,0,0|2,0,0]=4 3344 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [0,0,1,1,0,0|2,0,0]=4 3345 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [0,0,1,1,0,0|2,0,0]=4 3346 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [0,0,1,1,0,0|2,0,0]=4 3347 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [0,0,1,1,0,0|2,0,0]=4 3348 B9R1.12 CCNCC1CCCO1 2230a_100015525214_100000203698 [0,0,1,1,0,0|1,0,0]=3 3349 B9R1.12 CCNCC1OCCO1 2230a_100000036311_100000210202 [0,0,1,1,0,0|2,0,0]=4 3350 B9R1.12 CCNCC1OCCO1 2230a_100015525214_100000755774 [0,0,1,1,0,0|2,0,0]=4 3351 B9R1.12 CCNCC1OCCO1 34a_100000036311_100000210202 [0,0,1,1,0,0|2,0,0]=4 3352 B9R1.12 CCNC[C@@H]1CCCO1 2230a_100020590478_100000210202 [0,0,1,1,0,0|1,0,0]=3 3353 B9R1.12 CCNC[C@@H]1CCCO1 34a_100020590478_100000210202 [0,0,1,1,0,0|1,0,0]=3 3354 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [0,0,1,1,0,0|2,0,0]=4 3355 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [0,0,1,1,0,0|2,0,0]=4 3356 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [0,0,1,1,0,0|2,0,0]=4 3357 B9R1.12 CCOCC1CCCO1 34a_100000210270_100000210202 [0,0,1,1,0,0|1,0,0]=3 3358 B9R1.12 CCOCC1CCCO1 7a_100000210270_100000210202 [0,0,1,1,0,0|1,0,0]=3 3359 B9R1.12 CCOCC1COCO1 34a_100011216627_100000210202 [0,0,1,1,0,0|2,0,0]=4 3360 B9R1.12 CCOCC1OCCO1 34a_100000087154_100000210202 [0,0,1,1,0,0|2,0,0]=4 3361 B9R1.12 CCOCC1OCCO1 34a_100121572206_100000755774 [0,0,1,1,0,0|2,0,0]=4 3362 B9R1.12 CCOC[C@H]1CCCN1 34a_100000745186_100000210202 [0,0,1,1,0,0|2,0,0]=4 3363 B9R1.12 CCSCC1CCCC1 62a_100000210202_100000740388 [0,0,1,1,0,0|2,0,0]=4 3364 B9R1.12 CCSCC1CCCC1 62a_100000740388_100000210202 [0,0,1,1,0,0|2,0,0]=4 3365 B9R1.12 CCSCC1CCCO1 62a_100000203698_100000210202 [0,0,1,1,0,0|1,0,0]=3 3366 B9R1.12 CCSCC1CCCO1 62a_100000210202_100000203698 [0,0,1,1,0,0|1,0,0]=3 3367 B9R1.12 CCSCC1OCCO1 62a_100000210202_100000755774 [0,0,1,1,0,0|2,0,0]=4 3368 B9R1.12 CCSCC1OCCO1 62a_100000755774_100000210202 [0,0,1,1,0,0|2,0,0]=4 3369 B9R1.12 CNCCC1CCCC1 2230a_100000739158_200000210301 [0,0,1,1,0,0|2,0,0]=4 3370 B9R1.12 CNCCC1CCCC1 2230a_106832991635_100000760354 [0,0,1,1,0,0|2,0,0]=4 3371 B9R1.12 CNCCC1CCCC1 34a_100000739158_200000210301 [0,0,1,1,0,0|2,0,0]=4 3372 B9R1.12 CNCCC1CCCC1 34a_100102657272_100000760354 [0,0,1,1,0,0|2,0,0]=4 3373 B9R1.12 CNCCC1CCCC1 7a_106832991635_100000760354 [0,0,1,1,0,0|2,0,0]=4 3374 B9R1.12 CNCCC1OCCO1 2230a_100000034215_200000210301 [0,0,1,1,0,0|2,0,0]=4 3375 B9R1.12 CNCCC1OCCO1 2230a_106832991635_100000740749 [0,0,1,1,0,0|2,0,0]=4 3376 B9R1.12 CNCCC1OCCO1 34a_100000034215_200000210301 [0,0,1,1,0,0|2,0,0]=4 3377 B9R1.12 CNCCC1OCCO1 34a_100102657272_100000740749 [0,0,1,1,0,0|2,0,0]=4 3378 B9R1.12 CNCCC1OCCO1 7a_106832991635_100000740749 [0,0,1,1,0,0|2,0,0]=4 3379 B9R1.12 COCCC1CCCC1 34a_100000749090_200000210301 [0,0,1,1,0,0|2,0,0]=4 3380 B9R1.12 COCCC1CCCC1 34a_100138415774_100000760354 [0,0,1,1,0,0|2,0,0]=4 3381 B9R1.12 COCCC1CCCC1 7a_100000749090_200000210301 [0,0,1,1,0,0|2,0,0]=4 3382 B9R1.12 COCCC1OCCO1 34a_100138415774_100000740749 [0,0,1,1,0,0|2,0,0]=4 3383 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [0,0,1,1,0,0|2,0,0]=4 3384 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [0,0,1,1,0,0|2,0,0]=4 3385 B9R1.12 CSCCC1OCCO1 62a_200000210301_100000740749 [0,0,1,1,0,0|2,0,0]=4 3386 B9R1.12 CSCOC1CCCO1 34a_100000085407_100011218213 [0,0,1,1,0,0|2,0,0]=4 3387 B9R1.12 FCCOC1CCCO1 34a_100000085407_100011217306 [0,0,1,1,0,0|2,0,0]=4 3388 B9R1.12 FCNC[C@@H]1CCCO1 34a_100020590478_100015361967 [0,0,1,1,0,0|2,0,0]=4 3389 B9R1.12 FCOCC1CCCO1 34a_100000210270_100015361967 [0,0,1,1,0,0|2,0,0]=4 3390 B9R1.12 FCOCC1CCCO1 7a_100000210270_100015361967 [0,0,1,1,0,0|2,0,0]=4 3391 B9R1.12 FCSCC1CCCO1 62a_100000203698_100015361967 [0,0,1,1,0,0|2,0,0]=4 3392 B9R1.12 FCSCC1CCCO1 62a_100015361967_100000203698 [0,0,1,1,0,0|2,0,0]=4 3393 B9R1.12 OCCOC1CCCO1 34a_100000085407_100000211926 [0,0,1,1,0,0|2,0,0]=4 3394 B9R1.12 [13CH3]NCCC1CCCC1 2230a_100000739158_200025704644 [0,0,1,1,0,0|2,0,0]=4 3395 B9R1.12 [13CH3]NCCC1CCCC1 34a_100000739158_200025704644 [0,0,1,1,0,0|2,0,0]=4 3396 B9R1.12 [13CH3]NCCC1OCCO1 2230a_100000034215_200025704644 [0,0,1,1,0,0|2,0,0]=4 3397 B9R1.12 [13CH3]NCCC1OCCO1 34a_100000034215_200025704644 [0,0,1,1,0,0|2,0,0]=4 3398 B9R1.12 [13CH3]OCCC1CCCC1 34a_100000749090_200025704644 [0,0,1,1,0,0|2,0,0]=4 3399 B9R1.12 [13CH3]OCCC1CCCC1 7a_100000749090_200025704644 [0,0,1,1,0,0|2,0,0]=4 3400 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [0,0,1,1,0,0|2,0,0]=4 3401 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [0,0,1,1,0,0|2,0,0]=4 3402 B9R1.12 [13CH3]SCCC1OCCO1 62a_200025704644_100000740749 [0,0,1,1,0,0|2,0,0]=4 3403 B9R1.33 CCCN1CCC[C@@H]1C 2230a_100020605311_100000210303 [0,0,1,1,0,0|2,0,0]=4 3404 B9R1.33 CCCN1CCC[C@@H]1C 269982a_100020605311_100000210303 [0,0,1,1,0,0|2,0,0]=4 3405 B9R1.33 CCCN1CCC[C@H]1C 2230a_100015189458_100000210303 [0,0,1,1,0,0|2,0,0]=4 3406 B9R1.33 CCCN1CCC[C@H]1C 269982a_100015189458_100000210303 [0,0,1,1,0,0|2,0,0]=4 3407 B9R1.33 CCCN1CCC[C@H]1C 34a_100015189458_100000210303 [0,0,1,1,0,0|2,0,0]=4 3408 B9R1.33 CCNC1CCCC1C 269862a_100015525214_100000752053 [0,0,1,1,0,0|2,0,0]=4 3409 B9R1.33 CCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210202 [0,0,1,1,0,0|2,0,0]=4 3410 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [0,0,1,1,0,0|2,0,0]=4 3411 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [0,0,1,1,0,0|2,0,0]=4 3412 B9R1.33 CCOC1COCC1O 34a_100121572206_200000725654 [0,0,1,1,0,0|2,0,0]=4 3413 B9R1.33 CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210202 [0,0,1,1,0,0|2,0,0]=4 3414 B9R1.33 CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210202 [0,0,1,1,0,0|2,0,0]=4 3415 B9R1.33 CCSC1COCC1O 62a_100000210202_200000725654 [0,0,1,1,0,0|2,0,0]=4 3416 B9R1.33 CCSC1COCC1O 62a_200000725654_100000210202 [0,0,1,1,0,0|2,0,0]=4 3417 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_100000210202_200016002552 [0,0,1,1,0,0|1,0,0]=3 3418 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210202 [0,0,1,1,0,0|1,0,0]=3 3419 B9R1.33 O[C@@H]1CCC[C@H]1SCF 62a_100015361967_200016002552 [0,0,1,1,0,0|2,0,0]=4 3420 B9R1.33 O[C@@H]1CCC[C@H]1SCF 62a_200016002552_100015361967 [0,0,1,1,0,0|2,0,0]=4 3421 B9R1.48 CN1CCCCC(C1)O 2230a_100025706797_200000210301 [0,0,1,1,0,0|1,0,0]=3 3422 B9R1.48 CN1CCCCC(C1)O 269982a_100025706797_200000210301 [0,0,1,1,0,0|1,0,0]=3 3423 B9R1.48 CN1CCOC[C@@H](C1)O 2230a_100016073750_200000210301 [0,0,1,1,0,0|2,0,0]=4 3424 B9R1.48 CN1CCOC[C@@H](C1)O 269982a_100016073750_200000210301 [0,0,1,1,0,0|2,0,0]=4 3425 B9R1.48 [13CH3]N1CCCCC(C1)O 2230a_100025706797_200025704644 [0,0,1,1,0,0|1,0,0]=3 3426 B9R1.48 [13CH3]N1CCCCC(C1)O 269982a_100025706797_200025704644 [0,0,1,1,0,0|1,0,0]=3 3427 B9R1.48 [13CH3]N1CCOC[C@@H](C1)O 2230a_100016073750_200025704644 [0,0,1,1,0,0|2,0,0]=4 3428 B9R1.48 [13CH3]N1CCOC[C@@H](C1)O 269982a_100016073750_200025704644 [0,0,1,1,0,0|2,0,0]=4 3429 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [0,0,1,1,0,0|2,0,0]=4 3430 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [0,0,1,1,0,0|2,0,0]=4 3431 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [0,0,1,1,0,0|2,0,0]=4 3432 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [0,0,1,1,0,0|2,0,0]=4 3433 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [0,0,1,1,0,0|2,0,0]=4 3434 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [0,0,1,1,0,0|2,0,0]=4 3435 B9R1.49 CN1CCCC(CC1)O 2230a_100015186869_200000210301 [0,0,1,1,0,0|1,0,0]=3 3436 B9R1.49 CN1CCCC(CC1)O 269982a_100015186869_200000210301 [0,0,1,1,0,0|1,0,0]=3 3437 B9R1.49 [13CH3]N1CCCC(CC1)O 2230a_100015186869_200025704644 [0,0,1,1,0,0|1,0,0]=3 3438 B9R1.49 [13CH3]N1CCCC(CC1)O 269982a_100015186869_200025704644 [0,0,1,1,0,0|1,0,0]=3 3439 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [0,0,1,1,0,0|2,0,0]=4 3440 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [0,0,1,1,0,0|2,0,0]=4 3441 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [0,0,1,1,0,0|2,0,0]=4 3442 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [0,0,1,1,0,0|2,0,0]=4 3443 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [0,0,1,1,0,0|2,0,0]=4 3444 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [0,0,1,1,0,0|2,0,0]=4 3445 B9R1.58 CCCN1CC(C1)CC 2230a_100015205115_100000210303 [0,0,1,1,0,0|2,0,0]=4 3446 B9R1.58 CCCN1CC(C1)CC 269982a_100015205115_100000210303 [0,0,1,1,0,0|2,0,0]=4 3447 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [0,0,1,1,0,0|0,0,2]=4 3448 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [0,0,1,1,0,0|0,0,2]=4 3449 B9R1.73 CCCC(C)N1CCC1 269982a_100000754969_100000766640 [0,0,1,1,0,0|2,0,0]=4 3450 B9R1.73 CCCN(C)C1CCC1 2230a_100000758072_100000210303 [0,0,1,1,0,0|2,0,0]=4 3451 B9R1.73 CCCN(C)C1CCC1 269982a_100000747261_100000749161 [0,0,1,1,0,0|2,0,0]=4 3452 B9R1.73 CCCN(C)C1CCC1 269982a_100000758072_100000210303 [0,0,1,1,0,0|2,0,0]=4 3453 B9R1.73 CCCN(C)C1CCC1 270004a_100000747261_100000241760 [0,0,1,1,0,0|2,0,0]=4 3454 B9R1.73 CCCN(C)C1CCC1 34a_100000758072_100000210303 [0,0,1,1,0,0|2,0,0]=4 3455 B9R1.73 CCNC(C)C1CCC1 2230a_100016994624_100000210202 [0,0,1,1,0,0|2,0,0]=4 3456 B9R1.73 CCNC(C)C1CCC1 269862a_100015525214_100000760154 [0,0,1,1,0,0|2,0,0]=4 3457 B9R1.73 CCNC(C)C1CCC1 34a_100016994624_100000210202 [0,0,1,1,0,0|2,0,0]=4 3458 B9R1.73 CCOC(C)C1CCC1 34a_100000766398_100000210202 [0,0,1,1,0,0|2,0,0]=4 3459 B9R1.73 CCOC(C)C1CCC1 7a_100000766398_100000210202 [0,0,1,1,0,0|2,0,0]=4 3460 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [0,0,1,1,0,0|0,0,2]=4 3461 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [0,0,1,1,0,0|0,0,2]=4 3462 B9R1.75 CCCC(C)NC1CC1 34a_100000212008_100000766640 [0,0,1,1,0,0|2,0,0]=4 3463 B9R1.75 CCCC(C)OC1CC1 34a_100000764384_100000211595 [0,0,1,1,0,0|2,0,0]=4 3464 B9R1.75 CCCC(C)SC1CC1 62a_100000766640_100000211595 [0,0,1,1,0,0|2,0,0]=4 3465 B9R1.75 CCCN(C)CC1CC1 2230a_100000210729_200000210301 [0,0,1,1,0,0|2,0,0]=4 3466 B9R1.75 CCCN(C)CC1CC1 2230a_100000741881_100000210303 [0,0,1,1,0,0|2,0,0]=4 3467 B9R1.75 CCCN(C)CC1CC1 2230a_100000747261_100000742324 [0,0,1,1,0,0|2,0,0]=4 3468 B9R1.75 CCCN(C)CC1CC1 269982a_100000210729_200000210301 [0,0,1,1,0,0|2,0,0]=4 3469 B9R1.75 CCCN(C)CC1CC1 269982a_100000741881_100000210303 [0,0,1,1,0,0|2,0,0]=4 3470 B9R1.75 CCCN(C)CC1CC1 269982a_100000747261_100000756562 [0,0,1,1,0,0|2,0,0]=4 3471 B9R1.75 CCCN(C)CC1CC1 34a_100000210729_200000210301 [0,0,1,1,0,0|2,0,0]=4 3472 B9R1.75 CCCN([13CH3])CC1CC1 2230a_100000210729_200025704644 [0,0,1,1,0,0|2,0,0]=4 3473 B9R1.75 CCCN([13CH3])CC1CC1 269982a_100000210729_200025704644 [0,0,1,1,0,0|2,0,0]=4 3474 B9R1.75 CCCN([13CH3])CC1CC1 34a_100000210729_200025704644 [0,0,1,1,0,0|2,0,0]=4 3475 B9R1.75 CCNC(C)CC1CC1 270004a_100015525214_200000686933 [0,0,1,1,0,0|2,0,0]=4 3476 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [0,0,1,1,0,0|0,0,2]=4 3477 B9R1.100 CCCCN(C)C1CC1 2230a_100000226674_100000210211 [0,0,1,1,0,0|2,0,0]=4 3478 B9R1.100 CCCCN(C)C1CC1 269982a_100000207549_100000211595 [0,0,1,1,0,0|2,0,0]=4 3479 B9R1.100 CCCCN(C)C1CC1 269982a_100000226674_100000210211 [0,0,1,1,0,0|2,0,0]=4 3480 B9R1.100 CCCNC(C)C1CC1 2230a_100000700016_100000210303 [0,0,1,1,0,0|2,0,0]=4 3481 B9R1.100 CCCNC(C)C1CC1 269862a_100020643023_100000210639 [0,0,1,1,0,0|2,0,0]=4 3482 B9R1.100 CCCNC(C)C1CC1 34a_100000700016_100000210303 [0,0,1,1,0,0|2,0,0]=4 3483 B9R1.100 CCCOC(C)C1CC1 34a_100000744524_100000210303 [0,0,1,1,0,0|2,0,0]=4 3484 B9R1.100 CCCOC(C)C1CC1 7a_100000744524_100000210303 [0,0,1,1,0,0|2,0,0]=4 3485 B9R1.100 CCNCC(O)C1CC1 2230a_100000751198_100000210202 [0,0,1,1,0,0|1,0,0]=3 3486 B9R1.100 CCNCC(O)C1CC1 34a_100000751198_100000210202 [0,0,1,1,0,0|1,0,0]=3 3487 B9R1.100 CCOC[C@H](N)C1CC1 34a_100020623730_100000210202 [0,0,1,1,0,0|2,0,0]=4 3488 B9R1.100 OC(CNCF)C1CC1 34a_100000751198_100015361967 [0,0,1,1,0,0|2,0,0]=4 3489 B9R1.117 CCCNC1(CCC1)C 2230a_100000692455_100000210303 [0,0,1,1,0,0|2,0,0]=4 3490 B9R1.117 CCCNC1(CCC1)C 34a_100000692455_100000210303 [0,0,1,1,0,0|2,0,0]=4 3491 B9R1.117 CCCOC1(CCC1)C 34a_100000759064_100000210303 [0,0,1,1,0,0|2,0,0]=4 3492 B9R1.117 CCCOC1(CCC1)C 7a_100000759064_100000210303 [0,0,1,1,0,0|2,0,0]=4 3493 B9R1.117 CCNCC1(CCC1)C 2230a_100000706607_100000210202 [0,0,1,1,0,0|2,0,0]=4 3494 B9R1.117 CCNCC1(CCC1)C 2230a_100015525214_100000726658 [0,0,1,1,0,0|2,0,0]=4 3495 B9R1.117 CCNCC1(CCC1)O 2230a_100000752638_100000210202 [0,0,1,1,0,0|1,0,0]=3 3496 B9R1.117 CCNCC1(COC1)O 2230a_100010264505_100000210202 [0,0,1,1,0,0|2,0,0]=4 3497 B9R1.117 CCOCC1(CCC1)C 34a_100121572206_100000726658 [0,0,1,1,0,0|2,0,0]=4 3498 B9R1.117 CCSCC1(CCC1)C 62a_100000210202_100000726658 [0,0,1,1,0,0|2,0,0]=4 3499 B9R1.117 CCSCC1(CCC1)C 62a_100000726658_100000210202 [0,0,1,1,0,0|2,0,0]=4 3500 B9R1.134 CCOC1(CCCC1)C 34a_100000751722_100000210202 [0,0,1,1,0,0|2,0,0]=4 3501 B9R1.134 CCOC1(CCCC1)C 7a_100000751722_100000210202 [0,0,1,1,0,0|2,0,0]=4 3502 B9R1.134 CNCC1(CCCC1)O 2230a_100000737848_200000210301 [0,0,1,1,0,0|1,0,0]=3 3503 B9R1.134 COCC1(CCCC1)N 34a_100000749328_200000210301 [0,0,1,1,0,0|2,0,0]=4 3504 B9R1.134 [13CH3]NCC1(CCCC1)O 2230a_100000737848_200025704644 [0,0,1,1,0,0|1,0,0]=3 3505 B9R1.134 [13CH3]OCC1(CCCC1)N 34a_100000749328_200025704644 [0,0,1,1,0,0|2,0,0]=4 3506 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [0,0,1,1,0,0|0,0,2]=4 3507 B9R1.11 CC(N[13CH3])C1CCCC1 2230a_100015185923_200025704644 [0,0,1,1,0,0|2,0,0]=4 3508 B9R1.11 CC(N[13CH3])C1CCCC1 34a_100015185923_200025704644 [0,0,1,1,0,0|2,0,0]=4 3509 B9R1.11 CC(O[13CH3])C1CCCC1 34a_100011216366_200025704644 [0,0,1,1,0,0|2,0,0]=4 3510 B9R1.11 CC(O[13CH3])C1CCCC1 7a_100011216366_200025704644 [0,0,1,1,0,0|2,0,0]=4 3511 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [0,0,1,1,0,0|1,0,1]=4 3512 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [0,0,1,1,0,0|1,0,1]=4 3513 B9R1.11 CCC(C)N1CCCC1 2230a_100000188435_100000758301 [0,0,1,1,0,0|2,0,0]=4 3514 B9R1.11 CCC(C)N1CCCC1 269982a_100000188435_100000758301 [0,0,1,1,0,0|2,0,0]=4 3515 B9R1.11 CCC(C)N1CCSC1 2230a_100011215254_100000758301 [0,0,1,1,0,0|1,1,0]=4 3516 B9R1.11 CCC(C)N1CCSC1 269982a_100011215254_100000758301 [0,0,1,1,0,0|1,1,0]=4 3517 B9R1.11 CCN(C)C1CCCC1 2230a_100000207505_100000210202 [0,0,1,1,0,0|2,0,0]=4 3518 B9R1.11 CCN(C)C1CCCC1 2230a_100000225621_100000179811 [0,0,1,1,0,0|2,0,0]=4 3519 B9R1.11 CCN(C)C1CCCC1 269982a_100000207505_100000204670 [0,0,1,1,0,0|2,0,0]=4 3520 B9R1.11 CCN(C)C1CCCC1 269982a_100000225621_100000179811 [0,0,1,1,0,0|2,0,0]=4 3521 B9R1.11 CCN(C)C1CCCC1 34a_100000207505_100000210202 [0,0,1,1,0,0|2,0,0]=4 3522 B9R1.11 CCN(C)C1CCOC1 2230a_100000225621_100000731011 [0,0,1,1,0,0|1,0,0]=3 3523 B9R1.11 CCN(C)C1CCOC1 2230a_100016988252_100000210202 [0,0,1,1,0,0|1,0,0]=3 3524 B9R1.11 CCN(C)C1CCOC1 269982a_100000225621_100000731011 [0,0,1,1,0,0|1,0,0]=3 3525 B9R1.11 CCN(C)C1CCOC1 269982a_100016988252_100000204670 [0,0,1,1,0,0|1,0,0]=3 3526 B9R1.11 CCN(C)C1CCOC1 34a_100016988252_100000210202 [0,0,1,1,0,0|1,0,0]=3 3527 B9R1.11 CN(CF)C1CCOC1 269982a_100016988252_100015361967 [0,0,1,1,0,0|2,0,0]=4 3528 B9R1.11 CN(CF)C1CCOC1 34a_100016988252_100015361967 [0,0,1,1,0,0|2,0,0]=4 3529 B9R1.11 CNC(C)C1CCCC1 2230a_100015185923_200000210301 [0,0,1,1,0,0|2,0,0]=4 3530 B9R1.11 CNC(C)C1CCCC1 269862a_106832991636_100000749594 [0,0,1,1,0,0|2,0,0]=4 3531 B9R1.11 CNC(C)C1CCCC1 270004a_106832991635_100000749594 [0,0,1,1,0,0|2,0,0]=4 3532 B9R1.11 CNC(C)C1CCCC1 34a_100015185923_200000210301 [0,0,1,1,0,0|2,0,0]=4 3533 B9R1.11 COC(C)C1CCCC1 34a_100011216366_200000210301 [0,0,1,1,0,0|2,0,0]=4 3534 B9R1.11 COC(C)C1CCCC1 7a_100011216366_200000210301 [0,0,1,1,0,0|2,0,0]=4 3535 B9R1.74 CC1(CC1)C(=O)CCO 1458a_100000756474_100000211926 [0,0,1,1,0,0|1,0,1]=4 3536 B9R1.74 CCNC(C)C1(CC1)C 269862a_100015525214_100000184723 [0,0,1,1,0,0|2,0,0]=4 3537 B9R1.82 CCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210202 [0,0,1,1,0,0|1,0,1]=4 3538 B9R1.82 CCC(C)N1CC(C1)C 2230a_100000702820_100000758301 [0,0,1,1,0,0|2,0,0]=4 3539 B9R1.82 CCC(C)N1CC(C1)C 269982a_100000702820_100000758301 [0,0,1,1,0,0|2,0,0]=4 3540 B9R1.82 CCC(C)N1CC(C1)C 34a_100000702820_100011215416 [0,0,1,1,0,0|2,0,0]=4 3541 B9R1.82 CCC(C)N1CC(C1)F 2230a_100000690557_100000758301 [0,0,1,1,0,0|2,0,0]=4 3542 B9R1.82 CCC(C)N1CC(C1)F 269982a_100000690557_100000758301 [0,0,1,1,0,0|2,0,0]=4 3543 B9R1.82 CCC(C)N1CC(C1)F 34a_100000690557_100011215416 [0,0,1,1,0,0|2,0,0]=4 3544 B9R1.82 CCC(C)N1CC(C1)O 269982a_100000749847_100000758301 [0,0,1,1,0,0|1,0,0]=3 3545 B9R1.82 COC(C)N1CC(C1)O 269982a_100000749847_100009879195 [0,0,1,1,0,0|2,0,0]=4 3546 B9R1.82 C[C@H](CO)N1CC(C1)O 269982a_100000749847_100016084084 [0,0,1,1,0,0|2,0,0]=4 3547 B9R1.101 CCC(C)C(=O)C1CO1 1458a_100000701028_100000758301 [0,0,1,1,0,0|1,0,1]=4 3548 B9R1.101 CCC(C)N(C)C1CC1 2230a_100000226674_100000758301 [0,0,1,1,0,0|2,0,0]=4 3549 B9R1.101 CCC(C)N(C)C1CC1 269982a_100000226674_100000758301 [0,0,1,1,0,0|2,0,0]=4 3550 B9R1.101 CCC(C)N(C)C1CC1 269982a_100000741768_100000211595 [0,0,1,1,0,0|2,0,0]=4 3551 B9R1.101 CCN(C)C(C)C1CC1 2230a_200000232609_200000210301 [0,0,1,1,0,0|2,0,0]=4 3552 B9R1.101 CCN(C)C(C)C1CC1 269982a_200000232609_200000210301 [0,0,1,1,0,0|2,0,0]=4 3553 B9R1.101 CCN([13CH3])C(C)C1CC1 2230a_200000232609_200025704644 [0,0,1,1,0,0|2,0,0]=4 3554 B9R1.101 CCN([13CH3])C(C)C1CC1 269982a_200000232609_200025704644 [0,0,1,1,0,0|2,0,0]=4 3555 B9R1.135 C[C@H]1[C@H](CN1CCO)O 2230a_206633788156_100000211926 [0,0,1,1,0,0|2,0,0]=4 3556 B9R1.135 C[C@H]1[C@H](CN1CCO)O 269982a_206633788156_100000211926 [0,0,1,1,0,0|2,0,0]=4 3557 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,0,1,1,0,0|1,0,1]=4 3558 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,0,1,1,0,0|1,0,1]=4 3559 B9R1.6 CC(C)N1CCCOC1 2230a_100000131196_100000210206 [0,0,1,1,0,0|1,0,0]=3 3560 B9R1.6 CC(C)N1CCCOC1 269982a_100000131196_100000210206 [0,0,1,1,0,0|1,0,0]=3 3561 B9R1.6 CC(C)N1CCCOC1 34a_100000131196_100000210206 [0,0,1,1,0,0|1,0,0]=3 3562 B9R1.6 CN(C)C1CCCCC1 2230a_100000207522_200000210301 [0,0,1,1,0,0|2,0,0]=4 3563 B9R1.6 CN(C)C1CCCCC1 269982a_100000207522_200000210301 [0,0,1,1,0,0|2,0,0]=4 3564 B9R1.6 CN(C)C1CCCCC1 269982a_100102631434_100000210327 [0,0,1,1,0,0|2,0,0]=4 3565 B9R1.6 CN(C)C1CCCCC1 270004a_100102631434_100000210434 [0,0,1,1,0,0|2,0,0]=4 3566 B9R1.6 CN(C)C1CCCCC1 34a_100000207522_200000210301 [0,0,1,1,0,0|2,0,0]=4 3567 B9R1.6 CN(C)C1CCCOC1 269982a_100102631434_100000693364 [0,0,1,1,0,0|1,0,0]=3 3568 B9R1.6 CN(C)C1CCCOC1 270004a_100102631434_100000753404 [0,0,1,1,0,0|1,0,0]=3 3569 B9R1.6 CN(C)C1CCCSC1 270004a_100102631434_100000057913 [0,0,1,1,0,0|1,1,0]=4 3570 B9R1.6 CN([13CH3])C1CCCCC1 2230a_100000207522_200025704644 [0,0,1,1,0,0|2,0,0]=4 3571 B9R1.6 CN([13CH3])C1CCCCC1 269982a_100000207522_200025704644 [0,0,1,1,0,0|2,0,0]=4 3572 B9R1.6 CN([13CH3])C1CCCCC1 34a_100000207522_200025704644 [0,0,1,1,0,0|2,0,0]=4 3573 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,0,1,1,0,0|1,0,1]=4 3574 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,0,1,1,0,0|1,0,1]=4 3575 B9R1.35 CC(C)N1CCC(C1)O 2230a_100011215560_100000210206 [0,0,1,1,0,0|1,0,0]=3 3576 B9R1.35 CC(C)N1CCC(C1)O 269982a_100011215560_100000210206 [0,0,1,1,0,0|1,0,0]=3 3577 B9R1.35 CC(C)N1CC[C@@H](C1)F 2230a_100015203821_100000210206 [0,0,1,1,0,0|2,0,0]=4 3578 B9R1.35 CC(C)N1CC[C@@H](C1)F 269982a_100015203821_100000210206 [0,0,1,1,0,0|2,0,0]=4 3579 B9R1.35 CC(C)N1CC[C@@H](C1)F 34a_100015203821_100000210206 [0,0,1,1,0,0|2,0,0]=4 3580 B9R1.35 CC(C)N1CC[C@H](C1)C 2230a_100016987628_100000210206 [0,0,1,1,0,0|2,0,0]=4 3581 B9R1.35 CC(C)N1CC[C@H](C1)C 269982a_100016987628_100000210206 [0,0,1,1,0,0|2,0,0]=4 3582 B9R1.35 CC(C)N1CC[C@H](C1)C 34a_100016987628_100000210206 [0,0,1,1,0,0|2,0,0]=4 3583 B9R1.35 CC1CCC(C1)N(C)C 270004a_100102631434_100011215218 [0,0,1,1,0,0|2,0,0]=4 3584 B9R1.35 CN(C)C1CCC(C1)O 270004a_100102631434_100012614533 [0,0,1,1,0,0|1,0,0]=3 3585 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,0,1,1,0,0|1,0,1]=4 3586 B9R1.39 CC1CCN1CCCF 269982a_100000755817_100011934791 [0,0,1,1,0,0|2,0,0]=4 3587 B9R1.39 CC1CCN1CCCF 34a_100000755817_100011934791 [0,0,1,1,0,0|2,0,0]=4 3588 B9R1.39 CC1CCN1CCCO 269982a_100000755817_100011215043 [0,0,1,1,0,0|1,0,0]=3 3589 B9R1.39 CC1CCN1CCCO 34a_100000755817_100000230001 [0,0,1,1,0,0|1,0,0]=3 3590 B9R1.39 CCCCN1CCC1C 269982a_100000755817_100000210211 [0,0,1,1,0,0|2,0,0]=4 3591 B9R1.39 CCCCN1CCC1C 34a_100000755817_100000210210 [0,0,1,1,0,0|2,0,0]=4 3592 B9R1.77 CC1(CC1COCF)C 34a_100000728257_100015361967 [0,0,1,1,0,0|2,0,0]=4 3593 B9R1.77 CC1(CC1COCF)C 7a_100000728257_100015361967 [0,0,1,1,0,0|2,0,0]=4 3594 B9R1.77 CCOCC1CC1(C)C 34a_100000728257_100000210202 [0,0,1,1,0,0|2,0,0]=4 3595 B9R1.77 CCOCC1CC1(C)C 7a_100000728257_100000210202 [0,0,1,1,0,0|2,0,0]=4 3596 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [0,0,1,1,0,0|1,0,1]=4 3597 B9R1.95 CC(C)N1CC(C1)CF 269982a_100010363649_100000210206 [0,0,1,1,0,0|2,0,0]=4 3598 B9R1.95 CC(C)N1CC(C1)CF 34a_100010363649_100000210206 [0,0,1,1,0,0|2,0,0]=4 3599 B9R1.95 CC(C)N1CC(C1)CO 269982a_100016987283_100000210206 [0,0,1,1,0,0|1,0,0]=3 3600 B9R1.95 CC(C)N1CC(C1)CO 34a_100016987283_100000210206 [0,0,1,1,0,0|1,0,0]=3 3601 B9R1.95 CCC1CN(C1)C(C)C 2230a_100015205115_100000210206 [0,0,1,1,0,0|2,0,0]=4 3602 B9R1.95 CCC1CN(C1)C(C)C 269982a_100015205115_100000210206 [0,0,1,1,0,0|2,0,0]=4 3603 B9R1.95 CN(C)C1CC(C1)CO 269982a_100102631434_100009874164 [0,0,1,1,0,0|1,0,0]=3 3604 B9R1.95 CN(C)C1CC(C1)CO 270004a_100102631434_100000101936 [0,0,1,1,0,0|1,0,0]=3 3605 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [0,0,1,1,0,0|1,0,1]=4 3606 B9R1.110 CC(C)C(=O)C1CCO1 1458a_100000089072_100000210206 [0,0,1,1,0,0|1,0,1]=4 3607 B9R1.110 CC(C)N(C)C1CCC1 2230a_100000758072_100000210206 [0,0,1,1,0,0|2,0,0]=4 3608 B9R1.110 CC(C)N(C)C1CCC1 269982a_100000758072_100000210206 [0,0,1,1,0,0|2,0,0]=4 3609 B9R1.110 CC(C)N(C)C1CCC1 269982a_200000211004_100000749161 [0,0,1,1,0,0|2,0,0]=4 3610 B9R1.110 CC(C)N(C)C1CCC1 270004a_200000211004_100000241760 [0,0,1,1,0,0|2,0,0]=4 3611 B9R1.110 CC(C)N(C)C1CCC1 34a_100000758072_100000210206 [0,0,1,1,0,0|2,0,0]=4 3612 B9R1.112 CC(C)C(=O)CC1CO1 1458a_100000210198_100011216344 [0,0,1,1,0,0|1,0,1]=4 3613 B9R1.112 CC(C)C(=O)C[C@@H]1CO1 1458a_100000210198_100000745022 [0,0,1,1,0,0|1,0,1]=4 3614 B9R1.112 CC(C)N(C)CC1CC1 2230a_100000738798_200000210301 [0,0,1,1,0,0|2,0,0]=4 3615 B9R1.112 CC(C)N(C)CC1CC1 2230a_100000741881_100000210206 [0,0,1,1,0,0|2,0,0]=4 3616 B9R1.112 CC(C)N(C)CC1CC1 269982a_100000738798_200000210301 [0,0,1,1,0,0|2,0,0]=4 3617 B9R1.112 CC(C)N(C)CC1CC1 269982a_100000741881_100000210206 [0,0,1,1,0,0|2,0,0]=4 3618 B9R1.112 CC(C)N(C)CC1CC1 269982a_200000211004_100000756562 [0,0,1,1,0,0|2,0,0]=4 3619 B9R1.112 CC(C)N(C)CC1CC1 34a_100000738798_200000210301 [0,0,1,1,0,0|2,0,0]=4 3620 B9R1.112 CC(C)N(C)CC1CO1 269982a_200000211004_102125554688 [0,0,1,1,0,0|1,0,0]=3 3621 B9R1.112 CC(C)N(C)CC1CS1 269982a_200000211004_100000031435 [0,0,1,1,0,0|1,1,0]=4 3622 B9R1.112 CC(C)N(C)C[C@@H]1CO1 269982a_200000211004_100000745022 [0,0,1,1,0,0|1,0,0]=3 3623 B9R1.112 CC(C)N([13CH3])CC1CC1 2230a_100000738798_200025704644 [0,0,1,1,0,0|2,0,0]=4 3624 B9R1.112 CC(C)N([13CH3])CC1CC1 269982a_100000738798_200025704644 [0,0,1,1,0,0|2,0,0]=4 3625 B9R1.112 CC(C)N([13CH3])CC1CC1 34a_100000738798_200025704644 [0,0,1,1,0,0|2,0,0]=4 3626 B9R1.112 CC(CC1CC1)N(C)C 270004a_100102631434_200000686933 [0,0,1,1,0,0|2,0,0]=4 3627 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,0,1,1,0,0|1,0,1]=4 3628 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,0,1,1,0,0|1,0,1]=4 3629 B9R1.46 CC(C)OCC1CC1C 34a_100000744939_100000210206 [0,0,1,1,0,0|2,0,0]=4 3630 B9R1.46 CC(C)OCC1CC1C 7a_100000744939_100000210206 [0,0,1,1,0,0|2,0,0]=4 3631 B9R1.46 CC(O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100011218427 [0,0,1,1,0,0|2,0,0]=4 3632 B9R1.46 CC(O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100011218427 [0,0,1,1,0,0|2,0,0]=4 3633 B9R1.46 CC(O)CN[C@@H]1C[C@H]1F 34a_100025746932_100011218427 [0,0,1,1,0,0|2,0,0]=4 3634 B9R1.46 C[C@@H](O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100009817552 [0,0,1,1,0,0|2,0,0]=4 3635 B9R1.46 C[C@@H](O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100009817552 [0,0,1,1,0,0|2,0,0]=4 3636 B9R1.46 C[C@@H](O)CN[C@@H]1C[C@H]1F 34a_100025746932_100009817552 [0,0,1,1,0,0|2,0,0]=4 3637 B9R1.67 CC(C)CN1CCC1C 269982a_100000755817_100000210624 [0,0,1,1,0,0|2,0,0]=4 3638 B9R1.67 CC(C)CN1CCC1C 34a_100000755817_100000210624 [0,0,1,1,0,0|2,0,0]=4 3639 B9R1.67 CC(O)CN1CCC1C 269982a_100000755817_100011218427 [0,0,1,1,0,0|1,0,0]=3 3640 B9R1.67 CC(O)CN1CCC1C 34a_100000755817_100011218427 [0,0,1,1,0,0|1,0,0]=3 3641 B9R1.67 CC1CCN1C[C@@H](C)O 269982a_100000755817_100009817552 [0,0,1,1,0,0|1,0,0]=3 3642 B9R1.67 CC1CCN1C[C@@H](C)O 34a_100000755817_100009817552 [0,0,1,1,0,0|1,0,0]=3 3643 B9R1.78 CCC(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100000758301 [0,0,1,1,0,0|2,0,0]=4 3644 B9R1.78 CCC(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100000758301 [0,0,1,1,0,0|2,0,0]=4 3645 B9R1.78 CCC(C)N[C@@H]1C[C@H]1F 34a_100025746932_100011215416 [0,0,1,1,0,0|2,0,0]=4 3646 B9R1.80 CC(CF)OCC1CO1 34a_100016041109_102125554688 [0,0,1,1,0,0|2,0,0]=4 3647 B9R1.80 CC(CF)OCC1CO1 7a_100016041109_102125554688 [0,0,1,1,0,0|2,0,0]=4 3648 B9R1.80 CC(CF)OC[C@@H]1CO1 7a_100016041109_100000745022 [0,0,1,1,0,0|2,0,0]=4 3649 B9R1.80 CC(CN)OCC1CO1 34a_100000210904_102125554688 [0,0,1,1,0,0|2,0,0]=4 3650 B9R1.80 CC(CO)OC[C@@H]1CO1 34a_100000757423_100012180447 [0,0,1,1,0,0|2,0,0]=4 3651 B9R1.80 CC(CO)SCC1CO1 62a_100012180447_102125554688 [0,0,1,1,0,0|2,0,0]=4 3652 B9R1.80 CC(CO)SC[C@@H]1CO1 62a_100012180447_100000745022 [0,0,1,1,0,0|2,0,0]=4 3653 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [0,0,1,1,0,0|1,0,1]=4 3654 B9R1.80 CCC(C)CNC1CC1 34a_100000212008_100000748023 [0,0,1,1,0,0|2,0,0]=4 3655 B9R1.80 CCC(C)CSC1CC1 62a_100000748023_100000211595 [0,0,1,1,0,0|2,0,0]=4 3656 B9R1.80 CCC(C)NCC1CC1 2230a_100000209981_100000742324 [0,0,1,1,0,0|2,0,0]=4 3657 B9R1.80 CCC(C)NCC1CC1 2230a_100000735609_100000758301 [0,0,1,1,0,0|2,0,0]=4 3658 B9R1.80 CCC(C)NCC1CC1 269862a_100000209981_100000741477 [0,0,1,1,0,0|2,0,0]=4 3659 B9R1.80 CCC(C)NCC1CC1 34a_100000735609_100011215416 [0,0,1,1,0,0|2,0,0]=4 3660 B9R1.80 CCC(C)NCC1CO1 2230a_100000209981_100011216344 [0,0,1,1,0,0|1,0,0]=3 3661 B9R1.80 CCC(C)OCC1CC1 34a_100000211283_100011215416 [0,0,1,1,0,0|2,0,0]=4 3662 B9R1.80 CCC(C)OCC1CC1 7a_100000210228_100000742324 [0,0,1,1,0,0|2,0,0]=4 3663 B9R1.80 CCC(C)OCC1CO1 7a_100000210228_102125554688 [0,0,1,1,0,0|1,0,0]=3 3664 B9R1.80 CCC(C)OCC1CS1 7a_100000210228_100000031435 [0,0,1,1,0,0|1,1,0]=4 3665 B9R1.80 CCC(C)OC[C@@H]1CO1 34a_100000757423_100011215416 [0,0,1,1,0,0|1,0,0]=3 3666 B9R1.80 CCC(C)OC[C@@H]1CO1 7a_100000210228_100000745022 [0,0,1,1,0,0|1,0,0]=3 3667 B9R1.80 CCC(C)SCC1CC1 62a_100000756562_100000758301 [0,0,1,1,0,0|2,0,0]=4 3668 B9R1.80 CCC(C)SCC1CC1 62a_100000758301_100000742324 [0,0,1,1,0,0|2,0,0]=4 3669 B9R1.80 CCC(C)SCC1CO1 62a_100000758301_102125554688 [0,0,1,1,0,0|1,0,0]=3 3670 B9R1.80 CCC(C)SCC1CO1 62a_102125554688_100000758301 [0,0,1,1,0,0|1,0,0]=3 3671 B9R1.80 CCC(C)SCC1CS1 62a_100000031435_100000758301 [0,0,1,1,0,0|1,1,0]=4 3672 B9R1.80 CCC(C)SCC1CS1 62a_100000758301_100000031435 [0,0,1,1,0,0|1,1,0]=4 3673 B9R1.80 CCC(C)SC[C@@H]1CO1 62a_100000745022_100000758301 [0,0,1,1,0,0|1,0,0]=3 3674 B9R1.80 CCC(C)SC[C@@H]1CO1 62a_100000758301_100000745022 [0,0,1,1,0,0|1,0,0]=3 3675 B9R1.80 CCN(C)CCC1CC1 2230a_100000225621_100000694398 [0,0,1,1,0,0|2,0,0]=4 3676 B9R1.80 CCN(C)CCC1CC1 269982a_100000225621_100000694398 [0,0,1,1,0,0|2,0,0]=4 3677 B9R1.80 CCN(C)CCC1CO1 2230a_100000225621_100000732470 [0,0,1,1,0,0|1,0,0]=3 3678 B9R1.80 CCN(C)CCC1CO1 269982a_100000225621_100000732470 [0,0,1,1,0,0|1,0,0]=3 3679 B9R1.80 CC[C@H](C)CNC1CC1 34a_100000212008_100009816398 [0,0,1,1,0,0|2,0,0]=4 3680 B9R1.80 CC[C@H](C)CSC1CC1 62a_100009816398_100000211595 [0,0,1,1,0,0|2,0,0]=4 3681 B9R1.80 COC(C)SCC1CO1 62a_100009879195_102125554688 [0,0,1,1,0,0|2,0,0]=4 3682 B9R1.80 COC(C)SCC1CO1 62a_102125554688_100009879195 [0,0,1,1,0,0|2,0,0]=4 3683 B9R1.80 COC(C)SC[C@@H]1CO1 62a_100000745022_100009879195 [0,0,1,1,0,0|2,0,0]=4 3684 B9R1.80 COC(C)SC[C@@H]1CO1 62a_100009879195_100000745022 [0,0,1,1,0,0|2,0,0]=4 3685 B9R1.80 C[C@H](CO)NCC1CO1 2230a_100000737577_100011216344 [0,0,1,1,0,0|2,0,0]=4 3686 B9R1.80 C[C@H](CO)SCC1CO1 62a_100016084084_102125554688 [0,0,1,1,0,0|2,0,0]=4 3687 B9R1.80 C[C@H](CO)SCC1CO1 62a_102125554688_100016084084 [0,0,1,1,0,0|2,0,0]=4 3688 B9R1.80 C[C@H](CO)SC[C@@H]1CO1 62a_100000745022_100016084084 [0,0,1,1,0,0|2,0,0]=4 3689 B9R1.80 C[C@H](CO)SC[C@@H]1CO1 62a_100016084084_100000745022 [0,0,1,1,0,0|2,0,0]=4 3690 B9R1.84 CC(Br)COC1CCC1 34a_100012180447_100000749161 [0,0,1,1,0,0|2,0,0]=4 3691 B9R1.84 CC(C)CCN1CCC1 269982a_100000754969_100000210312 [0,0,1,1,0,0|2,0,0]=4 3692 B9R1.84 CC(C)CNC1CCC1 2230a_100000749019_100000210760 [0,0,1,1,0,0|2,0,0]=4 3693 B9R1.84 CC(C)CNC1CCC1 270004a_100000210953_100000241760 [0,0,1,1,0,0|2,0,0]=4 3694 B9R1.84 CC(C)CNC1CCC1 34a_100000210953_100000749161 [0,0,1,1,0,0|2,0,0]=4 3695 B9R1.84 CC(C)CNC1CCC1 34a_100000749019_100000210624 [0,0,1,1,0,0|2,0,0]=4 3696 B9R1.84 CC(C)COC1CCC1 34a_100000210257_100000749161 [0,0,1,1,0,0|2,0,0]=4 3697 B9R1.84 CC(C)COC1CCC1 34a_100000748187_100000210624 [0,0,1,1,0,0|2,0,0]=4 3698 B9R1.84 CC(C)CSC1CCC1 62a_100000210624_100000749161 [0,0,1,1,0,0|2,0,0]=4 3699 B9R1.84 CC(C)NCC1CCC1 2230a_100000738700_100000210206 [0,0,1,1,0,0|2,0,0]=4 3700 B9R1.84 CC(C)NCC1CCC1 2230a_100138425928_100000763275 [0,0,1,1,0,0|2,0,0]=4 3701 B9R1.84 CC(C)NCC1CCC1 34a_100000738700_100000210206 [0,0,1,1,0,0|2,0,0]=4 3702 B9R1.84 CC(C)NCC1CCC1 34a_100138425928_100000763275 [0,0,1,1,0,0|2,0,0]=4 3703 B9R1.84 CC(C)OCC1CCC1 34a_100000212225_100000763275 [0,0,1,1,0,0|2,0,0]=4 3704 B9R1.84 CC(C)OCC1CCC1 34a_100000760304_100000210206 [0,0,1,1,0,0|2,0,0]=4 3705 B9R1.84 CC(C)SCC1CCC1 62a_100000210206_100000763275 [0,0,1,1,0,0|2,0,0]=4 3706 B9R1.84 CC(C)SCC1CCC1 62a_100000763275_100000210206 [0,0,1,1,0,0|2,0,0]=4 3707 B9R1.84 CC(F)COC1CCC1 34a_100015925927_100000749161 [0,0,1,1,0,0|2,0,0]=4 3708 B9R1.84 CC(O)CCN1CCC1 269982a_100000754969_100012276601 [0,0,1,1,0,0|1,0,0]=3 3709 B9R1.84 CC(O)CNC1CCC1 2230a_100000749019_100011218427 [0,0,1,1,0,0|1,0,0]=3 3710 B9R1.84 CC(O)CNC1CCC1 270004a_100000210904_100000241760 [0,0,1,1,0,0|1,0,0]=3 3711 B9R1.84 CC(O)CNC1CCC1 34a_100000210904_100000749161 [0,0,1,1,0,0|1,0,0]=3 3712 B9R1.84 CC(O)CNC1CCC1 34a_100000749019_100011218427 [0,0,1,1,0,0|1,0,0]=3 3713 B9R1.84 CC(O)CNC1COC1 2230a_100016991112_100011218427 [0,0,1,1,0,0|2,0,0]=4 3714 B9R1.84 CC(O)CNC1COC1 34a_100000210904_100009818527 [0,0,1,1,0,0|2,0,0]=4 3715 B9R1.84 CC(O)COC1CCC1 34a_100000748187_100011218427 [0,0,1,1,0,0|1,0,0]=3 3716 B9R1.84 CC(O)COC1CSC1 7a_100000072292_100011218427 [0,0,1,1,0,0|2,0,0]=4 3717 B9R1.84 CC(O)CSC1CCC1 62a_100011218427_100000749161 [0,0,1,1,0,0|1,0,0]=3 3718 B9R1.84 CC(O)CSC1COC1 62a_100011218427_100009818527 [0,0,1,1,0,0|2,0,0]=4 3719 B9R1.84 C[C@@H](Cl)COC1CCC1 34a_100016084084_100000749161 [0,0,1,1,0,0|2,0,0]=4 3720 B9R1.84 C[C@@H](N)COC1CCC1 34a_100000737577_100000749161 [0,0,1,1,0,0|2,0,0]=4 3721 B9R1.84 C[C@@H](O)CNC1CCC1 2230a_100000749019_100009817552 [0,0,1,1,0,0|1,0,0]=3 3722 B9R1.84 C[C@@H](O)CNC1CCC1 34a_100000749019_100009817552 [0,0,1,1,0,0|1,0,0]=3 3723 B9R1.84 C[C@@H](O)CNC1COC1 2230a_100016991112_100009817552 [0,0,1,1,0,0|2,0,0]=4 3724 B9R1.84 C[C@@H](O)COC1CCC1 34a_100000748187_100009817552 [0,0,1,1,0,0|1,0,0]=3 3725 B9R1.84 C[C@@H](O)COC1CSC1 7a_100000072292_100009817552 [0,0,1,1,0,0|2,0,0]=4 3726 B9R1.84 C[C@@H](O)CSC1CCC1 62a_100009817552_100000749161 [0,0,1,1,0,0|1,0,0]=3 3727 B9R1.84 C[C@@H](O)CSC1COC1 62a_100009817552_100009818527 [0,0,1,1,0,0|2,0,0]=4 3728 B9R1.133 CC1(CCN(C1)CF)O 269982a_100000718628_100015361967 [0,0,1,1,0,0|2,0,0]=4 3729 B9R1.133 CCN1CCC(C1)(C)C 2230a_100000764714_100000210202 [0,0,1,1,0,0|2,0,0]=4 3730 B9R1.133 CCN1CCC(C1)(C)C 269982a_100000764714_100000204670 [0,0,1,1,0,0|2,0,0]=4 3731 B9R1.133 CCN1CCC(C1)(C)O 2230a_100000718628_100000210202 [0,0,1,1,0,0|1,0,0]=3 3732 B9R1.133 CCN1CCC(C1)(C)O 269982a_100000718628_100000204670 [0,0,1,1,0,0|1,0,0]=3 3733 B9R1.133 CNC1CCC(C1)(C)C 270004a_106832991635_100000759959 [0,0,1,1,0,0|2,0,0]=4 3734 B9R1.147 CC(C)CNC1(CC1)C 2230a_100000757604_100000210760 [0,0,1,1,0,0|2,0,0]=4 3735 B9R1.147 CC(C)COC1(CC1)C 7a_100011725673_100000210760 [0,0,1,1,0,0|2,0,0]=4 3736 B9R1.147 CC(C)NCC1(CC1)C 2230a_100000766693_100000210206 [0,0,1,1,0,0|2,0,0]=4 3737 B9R1.147 CC(C)OCC1(CC1)C 7a_100000698024_100000210206 [0,0,1,1,0,0|2,0,0]=4 3738 B9R1.147 CC(O)CNC1(CC1)C 2230a_100000757604_100011218427 [0,0,1,1,0,0|1,0,0]=3 3739 B9R1.147 CC(O)COC1(CC1)C 7a_100011725673_100011218427 [0,0,1,1,0,0|1,0,0]=3 3740 B9R1.147 C[C@@H](O)CNC1(CC1)C 2230a_100000757604_100009817552 [0,0,1,1,0,0|1,0,0]=3 3741 B9R1.147 C[C@@H](O)COC1(CC1)C 7a_100011725673_100009817552 [0,0,1,1,0,0|1,0,0]=3 3742 B9R1.21 CCC1CCC(C1)NC 270004a_106832991635_100011218773 [0,0,1,1,0,0|2,0,0]=4 3743 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [0,0,1,1,0,0|0,0,2]=4 3744 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [0,0,1,1,0,0|0,0,2]=4 3745 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [0,0,1,1,0,0|1,0,1]=4 3746 B9R1.79 CCC(C)CN1CCC1 269982a_100000754969_100000748023 [0,0,1,1,0,0|2,0,0]=4 3747 B9R1.79 CCC(C)NC1CCC1 2230a_100000749019_100000758301 [0,0,1,1,0,0|2,0,0]=4 3748 B9R1.79 CCC(C)NC1CCC1 270004a_100000209981_100000241760 [0,0,1,1,0,0|2,0,0]=4 3749 B9R1.79 CCC(C)NC1CCC1 34a_100000749019_100011215416 [0,0,1,1,0,0|2,0,0]=4 3750 B9R1.79 CCC(C)OC1CCC1 34a_100000748187_100011215416 [0,0,1,1,0,0|2,0,0]=4 3751 B9R1.79 CCC(C)SC1CCC1 62a_100000758301_100000749161 [0,0,1,1,0,0|2,0,0]=4 3752 B9R1.79 CCC(O)CN1CCC1 269982a_100000754969_100011218378 [0,0,1,1,0,0|1,0,0]=3 3753 B9R1.79 CCN(C)CC1CCC1 2230a_100000225621_100000763275 [0,0,1,1,0,0|2,0,0]=4 3754 B9R1.79 CCN(C)CC1CCC1 2230a_200000750244_100000210202 [0,0,1,1,0,0|2,0,0]=4 3755 B9R1.79 CCN(C)CC1CCC1 269982a_100000225621_100000763275 [0,0,1,1,0,0|2,0,0]=4 3756 B9R1.79 CCN(C)CC1CCC1 269982a_200000750244_100000204670 [0,0,1,1,0,0|2,0,0]=4 3757 B9R1.79 CCN(C)CC1CCC1 34a_200000750244_100000210202 [0,0,1,1,0,0|2,0,0]=4 3758 B9R1.79 CCN(C)CC1CCO1 2230a_100000225621_100000103362 [0,0,1,1,0,0|1,0,0]=3 3759 B9R1.79 CCN(C)CC1CCO1 269982a_100000225621_100000103362 [0,0,1,1,0,0|1,0,0]=3 3760 B9R1.79 CC[C@H](C)CN1CCC1 269982a_100000754969_100009816398 [0,0,1,1,0,0|2,0,0]=4 3761 B9R1.81 CCC(C)N1CCC1C 269982a_100000755817_100000758301 [0,0,1,1,0,0|2,0,0]=4 3762 B9R1.81 CCC(C)N1CCC1C 34a_100000755817_100011215416 [0,0,1,1,0,0|2,0,0]=4 3763 B9R1.113 CCC(=O)CC1(CC1)C 1458a_100000112800_100000210202 [0,0,1,1,0,0|0,0,2]=4 3764 B9R1.113 CCC(C)NC1(CC1)C 2230a_100000757604_100000758301 [0,0,1,1,0,0|2,0,0]=4 3765 B9R1.113 CCC(C)OC1(CC1)C 7a_100011725673_100000758301 [0,0,1,1,0,0|2,0,0]=4 3766 B9R1.207 CCC1(CN(C1)CF)O 269982a_100015191684_100015361967 [0,0,1,1,0,0|2,0,0]=4 3767 B9R1.207 CCN1CC(C1)(O)CC 2230a_100015191684_100000210202 [0,0,1,1,0,0|1,0,0]=3 3768 B9R1.207 CCN1CC(C1)(O)CC 269982a_100015191684_100000204670 [0,0,1,1,0,0|1,0,0]=3 3769 B9R1.137 CC(C)CN(C)C1CC1 2230a_100000226674_100000210760 [0,0,1,1,0,0|2,0,0]=4 3770 B9R1.137 CC(C)CN(C)C1CC1 2230a_100000737031_200000210301 [0,0,1,1,0,0|2,0,0]=4 3771 B9R1.137 CC(C)CN(C)C1CC1 269982a_100000226674_100000210624 [0,0,1,1,0,0|2,0,0]=4 3772 B9R1.137 CC(C)CN(C)C1CC1 269982a_100000737031_200000210301 [0,0,1,1,0,0|2,0,0]=4 3773 B9R1.137 CC(C)CN(C)C1CC1 269982a_100000747067_100000211595 [0,0,1,1,0,0|2,0,0]=4 3774 B9R1.137 CC(C)CN(C)C1CC1 270004a_100000226674_100000210432 [0,0,1,1,0,0|2,0,0]=4 3775 B9R1.137 CC(C)CN(C)C1CC1 34a_100000737031_200000210301 [0,0,1,1,0,0|2,0,0]=4 3776 B9R1.137 CC(C)CN([13CH3])C1CC1 2230a_100000737031_200025704644 [0,0,1,1,0,0|2,0,0]=4 3777 B9R1.137 CC(C)CN([13CH3])C1CC1 269982a_100000737031_200025704644 [0,0,1,1,0,0|2,0,0]=4 3778 B9R1.137 CC(C)CN([13CH3])C1CC1 34a_100000737031_200025704644 [0,0,1,1,0,0|2,0,0]=4 3779 B9R1.137 CC(C)NC(C)C1CC1 2230a_100000700016_100000210206 [0,0,1,1,0,0|2,0,0]=4 3780 B9R1.137 CC(C)NC(C)C1CC1 34a_100000700016_100000210206 [0,0,1,1,0,0|2,0,0]=4 3781 B9R1.137 CC(C)OC(C)C1CC1 34a_100000744524_100000210206 [0,0,1,1,0,0|2,0,0]=4 3782 B9R1.137 CC(C)OC(C)C1CC1 7a_100000744524_100000210206 [0,0,1,1,0,0|2,0,0]=4 3783 B9R1.137 CC(O)CC(=O)C1CC1 1458a_100000210395_100011218427 [0,0,1,1,0,0|1,0,1]=4 3784 B9R1.137 CC(O)CN(C)C1CC1 2230a_100000226674_100011218427 [0,0,1,1,0,0|1,0,0]=3 3785 B9R1.137 CC(O)CN(C)C1CC1 269982a_100000226674_100011218427 [0,0,1,1,0,0|1,0,0]=3 3786 B9R1.137 CC(O)CN(C)C1CC1 269982a_100000227577_100000211595 [0,0,1,1,0,0|1,0,0]=3 3787 B9R1.137 C[C@@H](O)CN(C)C1CC1 2230a_100000226674_100009817552 [0,0,1,1,0,0|1,0,0]=3 3788 B9R1.137 C[C@@H](O)CN(C)C1CC1 269982a_100000226674_100009817552 [0,0,1,1,0,0|1,0,0]=3 3789 B9R1.164 CC(=O)[C@H]1C[C@@](C1)(C)O 1458a_100010742821_200000210301 [0,0,1,1,0,0|1,0,1]=4 3790 B9R1.164 CC(C)N1CC(C1)(C)C 2230a_100000753659_100000210206 [0,0,1,1,0,0|2,0,0]=4 3791 B9R1.164 CC(C)N1CC(C1)(C)C 269982a_100000753659_100000210206 [0,0,1,1,0,0|2,0,0]=4 3792 B9R1.164 CC(C)N1CC(C1)(C)F 2230a_100000696199_100000210206 [0,0,1,1,0,0|2,0,0]=4 3793 B9R1.164 CC(C)N1CC(C1)(C)F 269982a_100000696199_100000210206 [0,0,1,1,0,0|2,0,0]=4 3794 B9R1.164 CC(C)N1CC(C1)(C)O 2230a_100000718560_100000210206 [0,0,1,1,0,0|1,0,0]=3 3795 B9R1.164 CC(C)N1CC(C1)(C)O 269982a_100000718560_100000210206 [0,0,1,1,0,0|1,0,0]=3 3796 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)[13CH3])O 1458a_100010742821_200025704644 [0,0,1,1,0,0|1,0,1]=4 3797 B9R2.39 CN1CC2CCC1C2 2230a_100000743476_200000210301 [1,0,0,1,0,0|2,0,0]=4 3798 B9R2.39 CN1CC2CCC1C2 269982a_100000743476_200000210301 [1,0,0,1,0,0|2,0,0]=4 3799 B9R2.39 CN1CC2CCC1C2 34a_100000743476_200000210301 [1,0,0,1,0,0|2,0,0]=4 3800 B9R2.39 [13CH3]N1CC2CCC1C2 2230a_100000743476_200025704644 [1,0,0,1,0,0|2,0,0]=4 3801 B9R2.39 [13CH3]N1CC2CCC1C2 269982a_100000743476_200025704644 [1,0,0,1,0,0|2,0,0]=4 3802 B9R2.39 [13CH3]N1CC2CCC1C2 34a_100000743476_200025704644 [1,0,0,1,0,0|2,0,0]=4 3803 B9R2.24 CN1C2CCC1CC2 2230a_100000735658_200000210301 [0,0,0,1,1,0|2,0,0]=4 3804 B9R2.24 CN1C2CCC1CC2 269982a_100000735658_200000210301 [0,0,0,1,1,0|2,0,0]=4 3805 B9R2.24 CN1C2CCC1CC2 34a_100000735658_200000210301 [0,0,0,1,1,0|2,0,0]=4 3806 B9R2.24 [13CH3]N1C2CCC1CC2 2230a_100000735658_200025704644 [0,0,0,1,1,0|2,0,0]=4 3807 B9R2.24 [13CH3]N1C2CCC1CC2 269982a_100000735658_200025704644 [0,0,0,1,1,0|2,0,0]=4 3808 B9R2.24 [13CH3]N1C2CCC1CC2 34a_100000735658_200025704644 [0,0,0,1,1,0|2,0,0]=4 3809 B11R2.432 CN1[C@@H]2CC[C@H]1C[C@H](C2)O 2230a_100103153168_200000210301 [0,1,0,1,0,0|1,0,0]=3 3810 B11R2.432 CN1[C@@H]2CC[C@H]1C[C@H](C2)O 269982a_100103153168_200000210301 [0,1,0,1,0,0|1,0,0]=3 3811 B11R2.432 [13CH3]N1[C@@H]2CC[C@H]1C[C@H](C2)O 2230a_100103153168_200025704644 [0,1,0,1,0,0|1,0,0]=3 3812 B11R2.432 [13CH3]N1[C@@H]2CC[C@H]1C[C@H](C2)O 269982a_100103153168_200025704644 [0,1,0,1,0,0|1,0,0]=3 3813 B11R2.164 CCN1CC2CCC1CC2 2230a_100000750499_100000210202 [0,1,0,1,0,0|2,0,0]=4 3814 B11R2.164 CCN1CC2CCC1CC2 269982a_100000750499_100000204670 [0,1,0,1,0,0|2,0,0]=4 3815 B11R2.164 CCN1CC2CCC1CC2 34a_100000750499_100000210202 [0,1,0,1,0,0|2,0,0]=4 3816 B11R2.164 CN[C@H]1CN2CCC1CC2 2230a_100016987387_200000210301 [0,1,0,1,0,0|2,0,0]=4 3817 B11R2.164 FCN1CC2CCC1CC2 269982a_100000750499_100015361967 [0,1,0,1,0,0|2,0,0]=4 3818 B11R2.164 FCN1CC2CCC1CC2 34a_100000750499_100015361967 [0,1,0,1,0,0|2,0,0]=4 3819 B11R2.164 [13CH3]N[C@H]1CN2CCC1CC2 2230a_100016987387_200025704644 [0,1,0,1,0,0|2,0,0]=4 3820 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,0,1,0,1,0|0,0,2]=4 3821 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,0,1,0,1,0|1,0,1]=4 3822 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,0,1,0,1,0|1,0,1]=4 3823 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,0,1,0,1,0|0,0,2]=4 3824 B7R0.16 CC(C)C(C)N(C)C 2230a_100000228512_200000210301 [0,0,1,0,1,0|2,0,0]=4 3825 B7R0.16 CC(C)C(C)N(C)C 269982a_100000228512_200000210301 [0,0,1,0,1,0|2,0,0]=4 3826 B7R0.16 CC(C)C(C)N(C)[13CH3] 2230a_100000228512_200025704644 [0,0,1,0,1,0|2,0,0]=4 3827 B7R0.16 CC(C)C(C)N(C)[13CH3] 269982a_100000228512_200025704644 [0,0,1,0,1,0|2,0,0]=4 3828 B7R0.16 CC(C)N(C)C(C)C 2230a_100000086832_200000210301 [0,0,1,0,1,0|2,0,0]=4 3829 B7R0.16 CC(C)N(C)C(C)C 269982a_100000086832_200000210301 [0,0,1,0,1,0|2,0,0]=4 3830 B7R0.16 CC(C)N(C)C(C)C 269982a_200000211004_100000210206 [0,0,1,0,1,0|2,0,0]=4 3831 B7R0.16 CC(C)N(C)C(C)C 34a_100000086832_200000210301 [0,0,1,0,1,0|2,0,0]=4 3832 B7R0.16 CC(C)N([13CH3])C(C)C 2230a_100000086832_200025704644 [0,0,1,0,1,0|2,0,0]=4 3833 B7R0.16 CC(C)N([13CH3])C(C)C 269982a_100000086832_200025704644 [0,0,1,0,1,0|2,0,0]=4 3834 B7R0.16 CC(C)N([13CH3])C(C)C 34a_100000086832_200025704644 [0,0,1,0,1,0|2,0,0]=4 3835 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [1,0,0,0,1,0|1,0,0]=3 3836 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [1,0,0,0,1,0|1,0,0]=3 3837 B7R1.2 CN1CC[C@@H](C1)F 2230a_100015203821_200000210301 [1,0,0,0,1,0|2,0,0]=4 3838 B7R1.2 CN1CC[C@@H](C1)F 269982a_100015203821_200000210301 [1,0,0,0,1,0|2,0,0]=4 3839 B7R1.2 CN1CC[C@@H](C1)F 34a_100015203821_200000210301 [1,0,0,0,1,0|2,0,0]=4 3840 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [1,0,0,0,1,0|2,0,0]=4 3841 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [1,0,0,0,1,0|2,0,0]=4 3842 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [1,0,0,0,1,0|2,0,0]=4 3843 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [1,0,0,0,1,0|2,0,0]=4 3844 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [1,0,0,0,1,0|2,0,0]=4 3845 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [1,0,0,0,1,0|2,0,0]=4 3846 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [1,0,0,0,1,0|1,0,0]=3 3847 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [1,0,0,0,1,0|1,0,0]=3 3848 B7R1.2 [13CH3]N1CC[C@@H](C1)F 2230a_100015203821_200025704644 [1,0,0,0,1,0|2,0,0]=4 3849 B7R1.2 [13CH3]N1CC[C@@H](C1)F 269982a_100015203821_200025704644 [1,0,0,0,1,0|2,0,0]=4 3850 B7R1.2 [13CH3]N1CC[C@@H](C1)F 34a_100015203821_200025704644 [1,0,0,0,1,0|2,0,0]=4 3851 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [1,0,0,0,1,0|2,0,0]=4 3852 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [1,0,0,0,1,0|2,0,0]=4 3853 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [1,0,0,0,1,0|2,0,0]=4 3854 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [1,0,0,0,1,0|2,0,0]=4 3855 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [1,0,0,0,1,0|2,0,0]=4 3856 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [1,0,0,0,1,0|2,0,0]=4 3857 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [1,0,0,0,1,0|2,0,0]=4 3858 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [1,0,0,0,1,0|2,0,0]=4 3859 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [1,0,0,0,1,0|2,0,0]=4 3860 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [1,0,0,0,1,0|2,0,0]=4 3861 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,0,0,0,2,0|1,0,0]=3 3862 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,0,0,0,2,0|1,0,0]=3 3863 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,0,0,0,2,0|1,0,0]=3 3864 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,0,0,0,2,0|1,0,0]=3 3865 B9R0.1 C#CC(C)NCCC(C)O 2230a_100000707721_100012276601 [0,0,1,0,0,1|0,0,2]=4 3866 B9R0.1 C#CC(C)NCCC(C)O 34a_100000707721_100012276601 [0,0,1,0,0,1|0,0,2]=4 3867 B9R0.1 C#CC(C)SCCC(C)O 62a_200000035995_100012276601 [0,0,1,0,0,1|0,0,2]=4 3868 B9R0.1 C#C[C@@H](C)OCCC(C)O 34a_100009815206_100012276601 [0,0,1,0,0,1|0,0,2]=4 3869 B9R0.1 C#C[C@@H](C)OCCC(C)O 7a_100009815206_100012276601 [0,0,1,0,0,1|0,0,2]=4 3870 B9R0.1 C=C(C)CCNC(C)CC 2230a_100000209981_100000730704 [0,0,1,0,0,1|1,0,1]=4 3871 B9R0.1 C=C(C)CCOC(C)CC 34a_100000764851_100011215416 [0,0,1,0,0,1|1,0,1]=4 3872 B9R0.1 C=C(C)CCOC(C)CC 7a_100000210228_100000730704 [0,0,1,0,0,1|1,0,1]=4 3873 B9R0.1 C=C(C)CCSC(C)CC 62a_100000730704_100000758301 [0,0,1,0,0,1|1,0,1]=4 3874 B9R0.1 C=C(C)CCSC(C)CC 62a_100000758301_100000730704 [0,0,1,0,0,1|1,0,1]=4 3875 B9R0.1 C=C(C)CNCC(C)CC 2230a_100020588543_100000748629 [0,0,1,0,0,1|1,0,1]=4 3876 B9R0.1 C=C(C)COCC(C)CC 34a_100000210245_100000748023 [0,0,1,0,0,1|1,0,1]=4 3877 B9R0.1 C=C(C)COC[C@@H](C)CC 34a_100000210245_100009816398 [0,0,1,0,0,1|1,0,1]=4 3878 B9R0.1 C=C(C)COC[C@@H](C)CC 7a_100009816381_100000748629 [0,0,1,0,0,1|1,0,1]=4 3879 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748023_100000211660 [0,0,1,0,0,1|1,0,1]=4 3880 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748629_100000748023 [0,0,1,0,0,1|1,0,1]=4 3881 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100000748629_100009816398 [0,0,1,0,0,1|1,0,1]=4 3882 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100009816398_100000211660 [0,0,1,0,0,1|1,0,1]=4 3883 B9R0.1 C=CC(C)COCC(C)O 34a_100011215527_100011218427 [0,0,1,0,0,1|0,0,2]=4 3884 B9R0.1 C=CC(C)COCC(C)O 7a_100011215527_100011218427 [0,0,1,0,0,1|0,0,2]=4 3885 B9R0.1 C=CC(C)COC[C@@H](C)O 34a_100011215527_100009817552 [0,0,1,0,0,1|0,0,2]=4 3886 B9R0.1 C=CC(C)COC[C@@H](C)O 7a_100011215527_100009817552 [0,0,1,0,0,1|0,0,2]=4 3887 B9R0.1 C=CC(C)OCCC(C)O 34a_100000695699_100012276601 [0,0,1,0,0,1|0,0,2]=4 3888 B9R0.1 C=CC(C)SCCC(C)O 62a_100011215867_100012276601 [0,0,1,0,0,1|0,0,2]=4 3889 B9R0.1 CC(Br)CCOC(C)CO 34a_100009893172_100012180447 [0,0,1,0,0,1|2,0,0]=4 3890 B9R0.1 CC(Br)COC[C@@H](C)CO 34a_100012180447_100000059175 [0,0,1,0,0,1|2,0,0]=4 3891 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [0,0,1,0,0,1|2,0,0]=4 3892 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [0,0,1,0,0,1|2,0,0]=4 3893 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [0,0,1,0,0,1|2,0,0]=4 3894 B9R0.1 CC(C)CCN[C@H](C)CF 269862a_100102880703_100000185833 [0,0,1,0,0,1|2,0,0]=4 3895 B9R0.1 CC(C)CCN[C@H](C)CO 2230a_100000737577_100000210312 [0,0,1,0,0,1|2,0,0]=4 3896 B9R0.1 CC(C)CCN[C@H](C)CO 269862a_100000737577_100000185833 [0,0,1,0,0,1|2,0,0]=4 3897 B9R0.1 CC(C)CCOC(C)CF 34a_100016041109_100000210312 [0,0,1,0,0,1|2,0,0]=4 3898 B9R0.1 CC(C)CCOC(C)CF 7a_100016041109_100000210626 [0,0,1,0,0,1|2,0,0]=4 3899 B9R0.1 CC(C)CCOC(C)CN 34a_100000210904_100000210312 [0,0,1,0,0,1|2,0,0]=4 3900 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [0,0,1,0,0,1|2,0,0]=4 3901 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [0,0,1,0,0,1|2,0,0]=4 3902 B9R0.1 CC(C)CCSC(C)CO 62a_100012180447_100000210312 [0,0,1,0,0,1|2,0,0]=4 3903 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100000210312_100016084084 [0,0,1,0,0,1|2,0,0]=4 3904 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100016084084_100000210312 [0,0,1,0,0,1|2,0,0]=4 3905 B9R0.1 CC(C)CNCC(C)CO 34a_100000744482_100000210624 [0,0,1,0,0,1|2,0,0]=4 3906 B9R0.1 CC(C)CNC[C@@H](C)CO 2230a_100000210953_100000059175 [0,0,1,0,0,1|2,0,0]=4 3907 B9R0.1 CC(C)CNC[C@@H](C)CO 34a_100000210953_100000059175 [0,0,1,0,0,1|2,0,0]=4 3908 B9R0.1 CC(C)COCC(C)CN 34a_100000744482_100000210624 [0,0,1,0,0,1|2,0,0]=4 3909 B9R0.1 CC(C)COC[C@@H](C)CO 34a_100000210257_100000059175 [0,0,1,0,0,1|2,0,0]=4 3910 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000059175_100000210760 [0,0,1,0,0,1|2,0,0]=4 3911 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000210624_100000059175 [0,0,1,0,0,1|2,0,0]=4 3912 B9R0.1 CC(CN)COC[C@@H](C)O 34a_100000744482_100009817552 [0,0,1,0,0,1|1,0,0]=3 3913 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [0,0,1,0,0,1|2,0,0]=4 3914 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [0,0,1,0,0,1|2,0,0]=4 3915 B9R0.1 CC(CO)CNC[C@@H](C)O 34a_100000744482_100009817552 [0,0,1,0,0,1|1,0,0]=3 3916 B9R0.1 CC(CO)OCC[C@@H](C)N 34a_100000706166_100012180447 [0,0,1,0,0,1|2,0,0]=4 3917 B9R0.1 CC(F)COC[C@@H](C)CO 34a_100015925927_100000059175 [0,0,1,0,0,1|2,0,0]=4 3918 B9R0.1 CC(O)CCNC(C)C#N 2230a_100000737613_100012276601 [0,0,1,0,0,1|1,0,1]=4 3919 B9R0.1 CC(O)CCNC(C)C#N 2230a_200000755665_100000184139 [0,0,1,0,0,1|1,0,1]=4 3920 B9R0.1 CC(O)CCNC(C)CO 2230a_200000755665_100012180447 [0,0,1,0,0,1|1,0,0]=3 3921 B9R0.1 CC(O)CCN[C@H](C)CO 2230a_100000737577_100012276601 [0,0,1,0,0,1|1,0,0]=3 3922 B9R0.1 CC(O)CCOC(C)C#N 34a_100011218135_100012276601 [0,0,1,0,0,1|1,0,1]=4 3923 B9R0.1 CC(O)CCOC(C)CF 34a_100016041109_100012276601 [0,0,1,0,0,1|1,0,0]=3 3924 B9R0.1 CC(O)CCOC(C)CF 7a_100016041109_100012276601 [0,0,1,0,0,1|1,0,0]=3 3925 B9R0.1 CC(O)CCOC(C)CN 34a_100000210904_100012276601 [0,0,1,0,0,1|1,0,0]=3 3926 B9R0.1 CC(O)CCSC(C)C#N 62a_100000703298_100012276601 [0,0,1,0,0,1|1,0,1]=4 3927 B9R0.1 CC(O)CCSC(C)C#N 62a_100012276601_100000703298 [0,0,1,0,0,1|1,0,1]=4 3928 B9R0.1 CC(O)CCSC(C)CO 62a_100012180447_100012276601 [0,0,1,0,0,1|1,0,0]=3 3929 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100012276601_100016084084 [0,0,1,0,0,1|1,0,0]=3 3930 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100016084084_100012276601 [0,0,1,0,0,1|1,0,0]=3 3931 B9R0.1 CC(O)CNCC(C)CO 34a_100000744482_100011218427 [0,0,1,0,0,1|1,0,0]=3 3932 B9R0.1 CC(O)CNCC(O)CO 2230a_100000210904_100011219619 [0,0,1,0,0,1|2,0,0]=4 3933 B9R0.1 CC(O)CNCC(O)CO 34a_100000210904_100011219619 [0,0,1,0,0,1|2,0,0]=4 3934 B9R0.1 CC(O)CNC[C@@H](C)CO 2230a_100000210904_100000059175 [0,0,1,0,0,1|1,0,0]=3 3935 B9R0.1 CC(O)CNC[C@@H](C)CO 34a_100000210904_100000059175 [0,0,1,0,0,1|1,0,0]=3 3936 B9R0.1 CC(O)CNC[C@@H](F)CO 34a_100015665980_100011218427 [0,0,1,0,0,1|2,0,0]=4 3937 B9R0.1 CC(O)CNC[C@@H](O)CF 2230a_100000210904_100015614560 [0,0,1,0,0,1|2,0,0]=4 3938 B9R0.1 CC(O)CNC[C@@H](O)CF 34a_100000210904_100015614560 [0,0,1,0,0,1|2,0,0]=4 3939 B9R0.1 CC(O)CNC[C@@H](O)CO 2230a_100000210904_100009815848 [0,0,1,0,0,1|2,0,0]=4 3940 B9R0.1 CC(O)CNC[C@@H](O)CO 34a_100000210904_100009815848 [0,0,1,0,0,1|2,0,0]=4 3941 B9R0.1 CC(O)CNC[C@H](O)CO 2230a_100020644852_100011218427 [0,0,1,0,0,1|2,0,0]=4 3942 B9R0.1 CC(O)COCC(C)CN 34a_100000744482_100011218427 [0,0,1,0,0,1|1,0,0]=3 3943 B9R0.1 CC(O)COCC(Cl)CCl 34a_100000033668_100011218427 [0,0,1,0,0,1|2,0,0]=4 3944 B9R0.1 CC(O)COC[C@H](F)CN 34a_100015665980_100011218427 [0,0,1,0,0,1|2,0,0]=4 3945 B9R0.1 CC(O)CSCC(O)CO 62a_100011218427_100011219619 [0,0,1,0,0,1|2,0,0]=4 3946 B9R0.1 CC(O)CSCC(O)CO 62a_100011219619_100011218427 [0,0,1,0,0,1|2,0,0]=4 3947 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [0,0,1,0,0,1|1,0,0]=3 3948 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [0,0,1,0,0,1|1,0,0]=3 3949 B9R0.1 CC(O)CSC[C@@H](O)CF 62a_100011218427_100015614560 [0,0,1,0,0,1|2,0,0]=4 3950 B9R0.1 CC(O)CSC[C@@H](O)CF 62a_100015614560_100011218427 [0,0,1,0,0,1|2,0,0]=4 3951 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100009815848_100011218427 [0,0,1,0,0,1|2,0,0]=4 3952 B9R0.1 CC(O)CSC[C@@H](O)CO 62a_100011218427_100009815848 [0,0,1,0,0,1|2,0,0]=4 3953 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,0,1,0,0,1|1,0,1]=4 3954 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,0,1,0,0,1|1,0,1]=4 3955 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,0,1,0,0,1|1,0,1]=4 3956 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,0,1,0,0,1|1,0,1]=4 3957 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,0,1,0,0,1|1,0,1]=4 3958 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,0,1,0,0,1|1,0,1]=4 3959 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,0,1,0,0,1|1,0,1]=4 3960 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,0,1,0,0,1|1,0,1]=4 3961 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,0,1,0,0,1|1,0,1]=4 3962 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,0,1,0,0,1|0,0,2]=4 3963 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,0,1,0,0,1|0,0,2]=4 3964 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,0,1,0,0,1|0,0,2]=4 3965 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,0,1,0,0,1|0,0,2]=4 3966 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [0,0,1,0,0,1|1,0,0]=3 3967 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [0,0,1,0,0,1|1,0,0]=3 3968 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,0,1,0,0,1|1,0,1]=4 3969 B9R0.1 CCC(C)CNCC(C)C 2230a_100000210953_100000748023 [0,0,1,0,0,1|1,0,0]=3 3970 B9R0.1 CCC(C)CNCC(C)C 2230a_100020588543_100000210760 [0,0,1,0,0,1|1,0,0]=3 3971 B9R0.1 CCC(C)CNCC(C)C 270004a_100000210953_100000243153 [0,0,1,0,0,1|1,0,0]=3 3972 B9R0.1 CCC(C)CNCC(C)C 270004a_100020588543_100000210432 [0,0,1,0,0,1|1,0,0]=3 3973 B9R0.1 CCC(C)CNCC(C)C 34a_100000210953_100000748023 [0,0,1,0,0,1|1,0,0]=3 3974 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [0,0,1,0,0,1|0,0,0]=2 3975 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [0,0,1,0,0,1|0,0,0]=2 3976 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [0,0,1,0,0,1|0,0,0]=2 3977 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [0,0,1,0,0,1|0,0,0]=2 3978 B9R0.1 CCC(C)CNCC(F)F 2230a_100020588543_100011934356 [0,0,1,0,0,1|2,0,0]=4 3979 B9R0.1 CCC(C)CNCC(F)F 270004a_100000765723_100000243153 [0,0,1,0,0,1|2,0,0]=4 3980 B9R0.1 CCC(C)CNCC(F)F 34a_100000765723_100000748023 [0,0,1,0,0,1|2,0,0]=4 3981 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [0,0,1,0,0,1|0,0,0]=2 3982 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [0,0,1,0,0,1|0,0,2]=4 3983 B9R0.1 CCC(C)COCC(C)Br 34a_100012180447_100000748023 [0,0,1,0,0,1|1,0,0]=3 3984 B9R0.1 CCC(C)COCC(C)C 34a_100000210257_100000748023 [0,0,1,0,0,1|1,0,0]=3 3985 B9R0.1 CCC(C)COCC(C)F 34a_100015925927_100000748023 [0,0,1,0,0,1|1,0,0]=3 3986 B9R0.1 CCC(C)COCC(F)F 34a_100000743014_100000748023 [0,0,1,0,0,1|2,0,0]=4 3987 B9R0.1 CCC(C)COC[C@@H](C)Cl 34a_100016084084_100000748023 [0,0,1,0,0,1|1,0,0]=3 3988 B9R0.1 CCC(C)COC[C@@H](C)N 34a_100000737577_100000748023 [0,0,1,0,0,1|1,0,0]=3 3989 B9R0.1 CCC(C)CSCC(C)C 62a_100000210624_100000748023 [0,0,1,0,0,1|1,0,0]=3 3990 B9R0.1 CCC(C)CSCC(C)C 62a_100000748023_100000210760 [0,0,1,0,0,1|1,0,0]=3 3991 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [0,0,1,0,0,1|0,0,0]=2 3992 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [0,0,1,0,0,1|0,0,0]=2 3993 B9R0.1 CCC(C)CSCC(F)F 62a_100000748023_100011934356 [0,0,1,0,0,1|2,0,0]=4 3994 B9R0.1 CCC(C)CSCC(F)F 62a_100011934356_100000748023 [0,0,1,0,0,1|2,0,0]=4 3995 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [0,0,1,0,0,1|0,0,0]=2 3996 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [0,0,1,0,0,1|0,0,0]=2 3997 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [0,0,1,0,0,1|1,0,0]=3 3998 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [0,0,1,0,0,1|1,0,0]=3 3999 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [0,0,1,0,0,1|0,0,0]=2 4000 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [0,0,1,0,0,1|0,0,0]=2 4001 B9R0.1 CCC(C)NCOC(C)C 2230a_100000209981_100000709892 [0,0,1,0,0,1|2,0,0]=4 4002 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,0,1,0,0,1|0,0,2]=4 4003 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,0,1,0,0,1|0,0,2]=4 4004 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,0,1,0,0,1|0,0,2]=4 4005 B9R0.1 CCC(C)OCCC(C)Br 34a_100009893172_100011215416 [0,0,1,0,0,1|1,0,0]=3 4006 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [0,0,1,0,0,1|1,0,0]=3 4007 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [0,0,1,0,0,1|1,0,0]=3 4008 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [0,0,1,0,0,1|1,0,0]=3 4009 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [0,0,1,0,0,1|0,0,0]=2 4010 B9R0.1 CCC(C)OCCC(F)F 34a_100103093639_100011215416 [0,0,1,0,0,1|2,0,0]=4 4011 B9R0.1 CCC(C)OCCN(C)C 7a_100000210228_100000755713 [0,0,1,0,0,1|2,0,0]=4 4012 B9R0.1 CCC(C)OCC[C@@H](C)N 34a_100000706166_100011215416 [0,0,1,0,0,1|1,0,0]=3 4013 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,0,1,0,0,1|0,0,2]=4 4014 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,0,1,0,0,1|0,0,2]=4 4015 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [0,0,1,0,0,1|1,0,0]=3 4016 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [0,0,1,0,0,1|1,0,0]=3 4017 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [0,0,1,0,0,1|0,0,0]=2 4018 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [0,0,1,0,0,1|0,0,0]=2 4019 B9R0.1 CCC(C)SCCN(C)C 62a_100000758301_100000755713 [0,0,1,0,0,1|2,0,0]=4 4020 B9R0.1 CCC(C)SCOC(C)C 62a_100000709892_100000758301 [0,0,1,0,0,1|2,0,0]=4 4021 B9R0.1 CCC(C)SCOC(C)C 62a_100000758301_100000709892 [0,0,1,0,0,1|2,0,0]=4 4022 B9R0.1 CCC(O)CNCC(C)C 2230a_100000210953_100011218378 [0,0,1,0,0,1|2,0,0]=4 4023 B9R0.1 CCC(O)CNCC(C)C 2230a_100011218483_100000210760 [0,0,1,0,0,1|2,0,0]=4 4024 B9R0.1 CCC(O)CNCC(C)C 270004a_100011218483_100000210432 [0,0,1,0,0,1|2,0,0]=4 4025 B9R0.1 CCC(O)CNCC(C)C 34a_100000210953_100011218378 [0,0,1,0,0,1|2,0,0]=4 4026 B9R0.1 CCC(O)CNCC(C)O 2230a_100000210904_100011218378 [0,0,1,0,0,1|1,0,0]=3 4027 B9R0.1 CCC(O)CNCC(C)O 2230a_100011218483_100011218427 [0,0,1,0,0,1|1,0,0]=3 4028 B9R0.1 CCC(O)CNCC(C)O 34a_100000210904_100011218378 [0,0,1,0,0,1|1,0,0]=3 4029 B9R0.1 CCC(O)CNC[C@@H](C)O 2230a_100011218483_100009817552 [0,0,1,0,0,1|1,0,0]=3 4030 B9R0.1 CCC(O)COCC(C)Br 34a_100012180447_100011218378 [0,0,1,0,0,1|2,0,0]=4 4031 B9R0.1 CCC(O)COCC(C)C 34a_100000210257_100011218378 [0,0,1,0,0,1|2,0,0]=4 4032 B9R0.1 CCC(O)COCC(C)F 34a_100015925927_100011218378 [0,0,1,0,0,1|2,0,0]=4 4033 B9R0.1 CCC(O)COC[C@@H](C)Cl 34a_100016084084_100011218378 [0,0,1,0,0,1|2,0,0]=4 4034 B9R0.1 CCC(O)COC[C@@H](C)N 34a_100000737577_100011218378 [0,0,1,0,0,1|2,0,0]=4 4035 B9R0.1 CCC(O)CSCC(C)C 62a_100000210624_100011218378 [0,0,1,0,0,1|2,0,0]=4 4036 B9R0.1 CCC(O)CSCC(C)C 62a_100011218378_100000210760 [0,0,1,0,0,1|2,0,0]=4 4037 B9R0.1 CCC(O)CSCC(C)O 62a_100011218378_100011218427 [0,0,1,0,0,1|1,0,0]=3 4038 B9R0.1 CCC(O)CSCC(C)O 62a_100011218427_100011218378 [0,0,1,0,0,1|1,0,0]=3 4039 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100009817552_100011218378 [0,0,1,0,0,1|1,0,0]=3 4040 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100011218378_100009817552 [0,0,1,0,0,1|1,0,0]=3 4041 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [0,0,1,0,0,1|2,0,0]=4 4042 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [0,0,1,0,0,1|2,0,0]=4 4043 B9R0.1 CCN(C)CCCC(C)O 2230a_100000225621_200000718107 [0,0,1,0,0,1|1,0,0]=3 4044 B9R0.1 CCN(C)CCCC(C)O 269982a_100000225621_200000718107 [0,0,1,0,0,1|1,0,0]=3 4045 B9R0.1 CCN(C)CCOC(C)C 2230a_100000225621_100000211751 [0,0,1,0,0,1|2,0,0]=4 4046 B9R0.1 CCN(C)CCOC(C)C 269982a_100000225621_100000211751 [0,0,1,0,0,1|2,0,0]=4 4047 B9R0.1 CCN(C)CCSC(C)C 2230a_100000225621_100000730970 [0,0,1,0,0,1|2,0,0]=4 4048 B9R0.1 CCN(C)CCSC(C)C 269982a_100000225621_100000730970 [0,0,1,0,0,1|2,0,0]=4 4049 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,0,1,0,0,1|1,0,1]=4 4050 B9R0.1 CC[C@H](C)CNCC(C)C 2230a_100000210953_100009816398 [0,0,1,0,0,1|1,0,0]=3 4051 B9R0.1 CC[C@H](C)CNCC(C)C 34a_100000210953_100009816398 [0,0,1,0,0,1|1,0,0]=3 4052 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [0,0,1,0,0,1|0,0,0]=2 4053 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [0,0,1,0,0,1|0,0,0]=2 4054 B9R0.1 CC[C@H](C)CNCC(F)F 34a_100000765723_100009816398 [0,0,1,0,0,1|2,0,0]=4 4055 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [0,0,1,0,0,1|0,0,2]=4 4056 B9R0.1 CC[C@H](C)COCC(C)Br 34a_100012180447_100009816398 [0,0,1,0,0,1|1,0,0]=3 4057 B9R0.1 CC[C@H](C)COCC(C)C 34a_100000210257_100009816398 [0,0,1,0,0,1|1,0,0]=3 4058 B9R0.1 CC[C@H](C)COCC(C)C 7a_100009816381_100000210760 [0,0,1,0,0,1|1,0,0]=3 4059 B9R0.1 CC[C@H](C)COCC(C)F 34a_100015925927_100009816398 [0,0,1,0,0,1|1,0,0]=3 4060 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [0,0,1,0,0,1|0,0,0]=2 4061 B9R0.1 CC[C@H](C)COCC(F)F 34a_100000743014_100009816398 [0,0,1,0,0,1|2,0,0]=4 4062 B9R0.1 CC[C@H](C)COCC(F)F 7a_100009816381_100011934356 [0,0,1,0,0,1|2,0,0]=4 4063 B9R0.1 CC[C@H](C)COC[C@@H](C)Cl 34a_100016084084_100009816398 [0,0,1,0,0,1|1,0,0]=3 4064 B9R0.1 CC[C@H](C)COC[C@@H](C)N 34a_100000737577_100009816398 [0,0,1,0,0,1|1,0,0]=3 4065 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [0,0,1,0,0,1|0,0,0]=2 4066 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100000210624_100009816398 [0,0,1,0,0,1|1,0,0]=3 4067 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100009816398_100000210760 [0,0,1,0,0,1|1,0,0]=3 4068 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [0,0,1,0,0,1|0,0,0]=2 4069 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [0,0,1,0,0,1|0,0,0]=2 4070 B9R0.1 CC[C@H](C)CSCC(F)F 62a_100009816398_100011934356 [0,0,1,0,0,1|2,0,0]=4 4071 B9R0.1 CC[C@H](C)CSCC(F)F 62a_100011934356_100009816398 [0,0,1,0,0,1|2,0,0]=4 4072 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [0,0,1,0,0,1|0,0,0]=2 4073 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [0,0,1,0,0,1|0,0,0]=2 4074 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [0,0,1,0,0,1|2,0,0]=4 4075 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [0,0,1,0,0,1|2,0,0]=4 4076 B9R0.1 CNC(C)CCOC(C)C 270004a_106832991635_200011219172 [0,0,1,0,0,1|2,0,0]=4 4077 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [0,0,1,0,0,1|2,0,0]=4 4078 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [0,0,1,0,0,1|2,0,0]=4 4079 B9R0.1 COC(C)CCOC(C)C 7a_100000764861_100000210206 [0,0,1,0,0,1|2,0,0]=4 4080 B9R0.1 COC(C)COCC(C)C 34a_100000690652_100000210624 [0,0,1,0,0,1|2,0,0]=4 4081 B9R0.1 COC(C)COCC(C)O 34a_100000690652_100011218427 [0,0,1,0,0,1|1,0,0]=3 4082 B9R0.1 COC(C)COC[C@@H](C)O 34a_100000690652_100009817552 [0,0,1,0,0,1|1,0,0]=3 4083 B9R0.1 COC(C)SCCC(C)C 62a_100000210312_100009879195 [0,0,1,0,0,1|2,0,0]=4 4084 B9R0.1 COC(C)SCCC(C)C 62a_100009879195_100000210312 [0,0,1,0,0,1|2,0,0]=4 4085 B9R0.1 COC(C)SCCC(C)O 62a_100009879195_100012276601 [0,0,1,0,0,1|1,0,0]=3 4086 B9R0.1 COC(C)SCCC(C)O 62a_100012276601_100009879195 [0,0,1,0,0,1|1,0,0]=3 4087 B9R0.1 CO[C@H](C)CNCC(C)C 2230a_100020591295_100000210760 [0,0,1,0,0,1|2,0,0]=4 4088 B9R0.1 CO[C@H](C)CNCC(C)C 270004a_100020591295_100000210432 [0,0,1,0,0,1|2,0,0]=4 4089 B9R0.1 CO[C@H](C)CNCC(C)O 2230a_100020591295_100011218427 [0,0,1,0,0,1|1,0,0]=3 4090 B9R0.1 CO[C@H](C)CNC[C@@H](C)O 2230a_100020591295_100009817552 [0,0,1,0,0,1|1,0,0]=3 4091 B9R0.1 C[C@@H](CO)COC[C@@H](C)Cl 34a_100016084084_100000059175 [0,0,1,0,0,1|2,0,0]=4 4092 B9R0.1 C[C@@H](CO)COC[C@@H](C)N 34a_100000737577_100000059175 [0,0,1,0,0,1|2,0,0]=4 4093 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [0,0,1,0,0,1|1,0,0]=3 4094 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [0,0,1,0,0,1|1,0,0]=3 4095 B9R0.1 C[C@@H](O)CNC[C@@H](F)CO 34a_100015665980_100009817552 [0,0,1,0,0,1|2,0,0]=4 4096 B9R0.1 C[C@@H](O)CNC[C@H](O)CO 2230a_100020644852_100009817552 [0,0,1,0,0,1|2,0,0]=4 4097 B9R0.1 C[C@@H](O)COCC(Cl)CCl 34a_100000033668_100009817552 [0,0,1,0,0,1|2,0,0]=4 4098 B9R0.1 C[C@@H](O)COC[C@H](F)CN 34a_100015665980_100009817552 [0,0,1,0,0,1|2,0,0]=4 4099 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100009817552_100011219619 [0,0,1,0,0,1|2,0,0]=4 4100 B9R0.1 C[C@@H](O)CSCC(O)CO 62a_100011219619_100009817552 [0,0,1,0,0,1|2,0,0]=4 4101 B9R0.1 C[C@@H](O)CSC[C@@H](O)CF 62a_100009817552_100015614560 [0,0,1,0,0,1|2,0,0]=4 4102 B9R0.1 C[C@@H](O)CSC[C@@H](O)CF 62a_100015614560_100009817552 [0,0,1,0,0,1|2,0,0]=4 4103 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009815848_100009817552 [0,0,1,0,0,1|2,0,0]=4 4104 B9R0.1 C[C@@H](O)CSC[C@@H](O)CO 62a_100009817552_100009815848 [0,0,1,0,0,1|2,0,0]=4 4105 B9R0.53 CC(C)CC(=O)CC(C)O 1458a_100000210554_100011218427 [0,0,1,0,0,1|1,0,1]=4 4106 B9R0.53 CC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000210624 [0,0,1,0,0,1|1,0,1]=4 4107 B9R0.53 CC(C)CC(C)NC(C)C 2230a_100000692259_100000210206 [0,0,1,0,0,1|1,0,0]=3 4108 B9R0.53 CC(C)CC(C)NC(C)C 2230a_100138425928_100000731052 [0,0,1,0,0,1|1,0,0]=3 4109 B9R0.53 CC(C)CC(C)NC(C)C 34a_100138425928_100000731052 [0,0,1,0,0,1|1,0,0]=3 4110 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000211805_100000210206 [0,0,1,0,0,1|1,0,0]=3 4111 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000212225_100000731052 [0,0,1,0,0,1|1,0,0]=3 4112 B9R0.53 CC(C)CC(C)OC(C)C 7a_100000211805_100000210206 [0,0,1,0,0,1|1,0,0]=3 4113 B9R0.53 CC(C)CC(C)SC(C)C 62a_100000210206_100000731052 [0,0,1,0,0,1|1,0,0]=3 4114 B9R0.53 CC(C)CC(C)SC(C)C 62a_100000731052_100000210206 [0,0,1,0,0,1|1,0,0]=3 4115 B9R0.53 CC(C)CN(C)CC(C)C 2230a_100000201412_200000210301 [0,0,1,0,0,1|2,0,0]=4 4116 B9R0.53 CC(C)CN(C)CC(C)C 2230a_100000747067_100000210760 [0,0,1,0,0,1|2,0,0]=4 4117 B9R0.53 CC(C)CN(C)CC(C)C 269982a_100000201412_200000210301 [0,0,1,0,0,1|2,0,0]=4 4118 B9R0.53 CC(C)CN(C)CC(C)C 269982a_100000747067_100000210624 [0,0,1,0,0,1|2,0,0]=4 4119 B9R0.53 CC(C)CN(C)CC(C)C 270004a_100000747067_100000210432 [0,0,1,0,0,1|2,0,0]=4 4120 B9R0.53 CC(C)CN(C)CC(C)C 34a_100000201412_200000210301 [0,0,1,0,0,1|2,0,0]=4 4121 B9R0.53 CC(C)CN(C)CC(C)O 2230a_100000227577_100000210760 [0,0,1,0,0,1|1,0,0]=3 4122 B9R0.53 CC(C)CN(C)CC(C)O 2230a_100000747067_100011218427 [0,0,1,0,0,1|1,0,0]=3 4123 B9R0.53 CC(C)CN(C)CC(C)O 269982a_100000227577_100000210624 [0,0,1,0,0,1|1,0,0]=3 4124 B9R0.53 CC(C)CN(C)CC(C)O 269982a_100000747067_100011218427 [0,0,1,0,0,1|1,0,0]=3 4125 B9R0.53 CC(C)CN(C)CC(C)O 270004a_100000227577_100000210432 [0,0,1,0,0,1|1,0,0]=3 4126 B9R0.53 CC(C)CN(C)C[C@@H](C)O 2230a_100000747067_100009817552 [0,0,1,0,0,1|1,0,0]=3 4127 B9R0.53 CC(C)CN(C)C[C@@H](C)O 269982a_100000747067_100009817552 [0,0,1,0,0,1|1,0,0]=3 4128 B9R0.53 CC(C)CN([13CH3])CC(C)C 2230a_100000201412_200025704644 [0,0,1,0,0,1|2,0,0]=4 4129 B9R0.53 CC(C)CN([13CH3])CC(C)C 269982a_100000201412_200025704644 [0,0,1,0,0,1|2,0,0]=4 4130 B9R0.53 CC(C)CN([13CH3])CC(C)C 34a_100000201412_200025704644 [0,0,1,0,0,1|2,0,0]=4 4131 B9R0.53 CC(C)NC(=O)C[C@@H](C)O 240690a_100138425928_100011933948 [0,0,1,0,0,1|1,0,1]=4 4132 B9R0.53 CC(C)SC(C)CN(C)C 62a_100000210206_100020606517 [0,0,1,0,0,1|2,0,0]=4 4133 B9R0.53 CC(C)SC(C)CN(C)C 62a_100020606517_100000210206 [0,0,1,0,0,1|2,0,0]=4 4134 B9R0.53 CC(O)CN(C)CC(C)O 2230a_100000227577_100011218427 [0,0,1,0,0,1|2,0,0]=4 4135 B9R0.53 CC(O)CN(C)CC(C)O 2230a_100011218400_200000210301 [0,0,1,0,0,1|2,0,0]=4 4136 B9R0.53 CC(O)CN(C)CC(C)O 269982a_100000227577_100011218427 [0,0,1,0,0,1|2,0,0]=4 4137 B9R0.53 CC(O)CN(C)CC(C)O 269982a_100011218400_200000210301 [0,0,1,0,0,1|2,0,0]=4 4138 B9R0.53 CC(O)CN(C)C[C@@H](C)O 2230a_100000227577_100009817552 [0,0,1,0,0,1|2,0,0]=4 4139 B9R0.53 CC(O)CN(C)C[C@@H](C)O 269982a_100000227577_100009817552 [0,0,1,0,0,1|2,0,0]=4 4140 B9R0.53 CC(O)CN([13CH3])CC(C)O 2230a_100011218400_200025704644 [0,0,1,0,0,1|2,0,0]=4 4141 B9R0.53 CC(O)CN([13CH3])CC(C)O 269982a_100011218400_200025704644 [0,0,1,0,0,1|2,0,0]=4