0 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.2 CN1CC[C@@H](C1)F 2230a_100015203821_200000210301 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.2 CN1CC[C@@H](C1)F 269982a_100015203821_200000210301 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.2 CN1CC[C@@H](C1)F 34a_100015203821_200000210301 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.2 Cc1nnc(o1)O 271570a_203496583355_100000708914 [0,0,0,0,0,0|2,0,2]=4 13 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [0,0,0,0,0,0|2,0,2]=4 14 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [0,0,0,0,0,0|2,0,2]=4 15 B7R1.2 [13CH3]N1CC[C@@H](C1)F 2230a_100015203821_200025704644 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.2 [13CH3]N1CC[C@@H](C1)F 269982a_100015203821_200025704644 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.2 [13CH3]N1CC[C@@H](C1)F 34a_100015203821_200025704644 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,0,0,0,0,0|3,0,0]=3 19 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [1,0,0,0,0,0|2,0,1]=4 20 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [1,0,0,0,0,0|2,0,1]=4 21 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [1,0,0,0,0,0|2,0,1]=4 22 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [1,0,0,0,0,0|3,0,0]=4 23 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [1,0,0,0,0,0|3,0,0]=4 24 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [1,0,0,0,0,0|2,0,1]=4 25 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [1,0,0,0,0,0|2,0,1]=4 26 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [1,0,0,0,0,0|2,0,1]=4 27 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [1,0,0,0,0,0|3,0,0]=4 28 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [0,1,0,0,0,0|1,0,2]=4 30 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [0,1,0,0,0,0|3,0,0]=4 33 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.1 CN1CCC(C1)CO 2230a_100000748654_200000210301 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.1 CN1CCC(C1)CO 269982a_100000748654_200000210301 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.1 CN1CCC(C1)CO 34a_100000748654_200000210301 [0,1,0,0,0,0|3,0,0]=4 37 B8R1.1 CN1CCC(C1)S[13CH3] 62a_200025704644_200012183744 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [0,1,0,0,0,0|2,0,1]=4 39 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [0,1,0,0,0,0|1,0,2]=4 40 B8R1.1 CNC1CCN(C1)C 7a_106832991635_200012183744 [0,1,0,0,0,0|3,0,0]=4 41 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,1,0,0,0,0|1,0,0]=2 43 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [0,1,0,0,0,0|1,0,2]=4 44 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,1,0,0,0,0|1,0,0]=2 45 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [0,1,0,0,0,0|1,0,2]=4 46 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,1,0,0,0,0|2,0,0]=3 47 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,1,0,0,0,0|1,0,0]=2 48 B8R1.1 CO[C@@H]1CCN(C1)C 2230a_100000766984_200000210301 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.1 CO[C@@H]1CCN(C1)C 269982a_100000766984_200000210301 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 2230a_100000766984_200025704644 [0,1,0,0,0,0|3,0,0]=4 51 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 269982a_100000766984_200025704644 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.1 CSC1CCN(C1)C 62a_200000210301_200012183744 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,1,0,0,0,0|1,0,0]=2 54 B8R1.1 C[C@@H]1CCN(C1)CF 269982a_100016987628_100015361967 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.1 C[C@@H]1CCN(C1)CF 34a_100016987628_100015361967 [0,1,0,0,0,0|3,0,0]=4 56 B8R1.1 [13CH3]N1CCC(C1)CO 2230a_100000748654_200025704644 [0,1,0,0,0,0|3,0,0]=4 57 B8R1.1 [13CH3]N1CCC(C1)CO 269982a_100000748654_200025704644 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.1 [13CH3]N1CCC(C1)CO 34a_100000748654_200025704644 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [0,1,0,0,0,0|1,0,2]=4 61 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,1,0,0,0,0|1,0,0]=2 62 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,1,0,0,0,0|1,0,0]=2 64 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 2230a_200015306588_200000210301 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 269982a_200015306588_200000210301 [0,1,0,0,0,0|3,0,0]=4 66 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 2230a_200015306588_200025704644 [0,1,0,0,0,0|3,0,0]=4 67 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 269982a_200015306588_200025704644 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.50 CC1CCC(N1C)C 2230a_100000687148_200000210301 [0,1,0,0,0,0|2,0,1]=4 69 B8R1.50 CC1CCC(N1C)C 269982a_100000687148_200000210301 [0,1,0,0,0,0|2,0,1]=4 70 B8R1.50 CC1CCC(N1C)C 34a_100000687148_200000210301 [0,1,0,0,0,0|2,0,1]=4 71 B8R1.50 CC1CCC(N1[13CH3])C 2230a_100000687148_200025704644 [0,1,0,0,0,0|2,0,1]=4 72 B8R1.50 CC1CCC(N1[13CH3])C 269982a_100000687148_200025704644 [0,1,0,0,0,0|2,0,1]=4 73 B8R1.50 CC1CCC(N1[13CH3])C 34a_100000687148_200025704644 [0,1,0,0,0,0|2,0,1]=4 74 B8R1.51 CC1(CCN(C1)[13CH3])C 2230a_100000764714_200025704644 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.51 CC1(CCN(C1)[13CH3])C 269982a_100000764714_200025704644 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.51 CC1(CCN(C1)[13CH3])O 2230a_100000718628_200025704644 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.51 CC1(CCN(C1)[13CH3])O 269982a_100000718628_200025704644 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.51 CN1CCC(C1)(C)C 2230a_100000764714_200000210301 [0,1,0,0,0,0|3,0,0]=4 79 B8R1.51 CN1CCC(C1)(C)C 269982a_100000764714_200000210301 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.51 CN1CCC(C1)(C)O 2230a_100000718628_200000210301 [0,1,0,0,0,0|3,0,0]=4 81 B8R1.51 CN1CCC(C1)(C)O 269982a_100000718628_200000210301 [0,1,0,0,0,0|3,0,0]=4 82 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,0,1,0,0,0|1,0,2]=4 83 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,0,1,0,0,0|1,0,2]=4 84 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,0,1,0,0,0|1,0,2]=4 85 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,0,1,0,0,0|3,0,0]=4 86 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,0,1,0,0,0|3,0,0]=4 87 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,0,1,0,0,0|1,0,2]=4 88 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,0,1,0,0,0|1,0,2]=4 89 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,0,1,0,0,0|1,0,2]=4 90 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,0,1,0,0,0|1,0,2]=4 91 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [0,0,1,0,0,0|3,0,0]=4 92 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [0,0,1,0,0,0|3,0,0]=4 93 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [0,0,1,0,0,0|3,0,0]=4 94 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [0,0,1,0,0,0|3,0,0]=4 95 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,0,1,0,0,0|3,0,0]=4 96 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,0,1,0,0,0|3,0,0]=4 97 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,0,1,0,0,0|3,0,0]=4 98 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,0,1,0,0,0|3,0,0]=4 99 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,0,1,0,0,0|1,0,1]=3 100 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,0,1,0,0,0|2,0,1]=4 101 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,0,1,0,0,0|2,0,1]=4 102 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,0,1,0,0,0|2,0,1]=4 103 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,0,1,0,0,0|2,0,1]=4 104 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,0,1,0,0,0|1,0,1]=3 105 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,0,1,0,0,0|2,0,1]=4 106 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,0,1,0,0,0|2,0,1]=4 107 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,0,1,0,0,0|2,0,1]=4 108 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,0,1,0,0,0|2,0,1]=4 109 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,0,1,0,0,0|2,0,1]=4 110 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,0,1,0,0,0|2,0,1]=4 111 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,0,1,0,0,0|2,0,1]=4 112 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,0,1,0,0,0|2,0,1]=4 113 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,0,1,0,0,0|2,0,1]=4 114 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,0,1,0,0,0|2,0,0]=3 115 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,0,1,0,0,0|2,0,0]=3 116 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,0,1,0,0,0|2,0,0]=3 117 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,0,1,0,0,0|2,0,0]=3 118 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,0,1,0,0,0|2,0,0]=3 119 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,0,1,0,0,0|2,0,0]=3 120 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,0,1,0,0,0|2,0,0]=3 121 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,0,1,0,0,0|2,0,0]=3 122 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,0,1,0,0,0|2,0,0]=3 123 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,0,1,0,0,0|2,0,0]=3 124 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,0,1,0,0,0|2,0,0]=3 125 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,0,1,0,0,0|2,0,0]=3 126 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,0,1,0,0,0|2,0,0]=3 127 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,0,1,0,0,0|3,0,0]=4 128 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,0,1,0,0,0|3,0,0]=4 129 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,0,1,0,0,0|3,0,0]=4 130 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,0,1,0,0,0|3,0,0]=4 131 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,0,1,0,0,0|3,0,0]=4 132 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,0,1,0,0,0|3,0,0]=4 133 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,0,1,0,0,0|3,0,0]=4 134 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,0,1,0,0,0|3,0,0]=4 135 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,0,1,0,0,0|3,0,0]=4 136 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,0,1,0,0,0|3,0,0]=4 137 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,0,1,0,0,0|3,0,0]=4 138 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,0,1,0,0,0|1,0,1]=3 139 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,0,1,0,0,0|1,1,1]=4 140 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,0,1,0,0,0|1,1,1]=4 141 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,0,1,0,0,0|1,0,0]=2 142 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,0,1,0,0,0|1,0,0]=2 143 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,0,1,0,0,0|2,0,0]=3 144 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,0,1,0,0,0|2,0,0]=3 145 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,0,1,0,0,0|2,0,0]=3 146 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,0,1,0,0,0|2,0,0]=3 147 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,0,1,0,0,0|2,0,0]=3 148 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,0,1,0,0,0|2,0,0]=3 149 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,0,1,0,0,0|3,0,0]=4 150 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,0,1,0,0,0|3,0,0]=4 151 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,0,1,0,0,0|3,0,0]=4 152 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,0,1,0,0,0|3,0,0]=4 153 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,0,1,0,0,0|3,0,0]=4 154 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,0,1,0,0,0|3,0,0]=4 155 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,0,1,0,0,0|3,0,0]=4 156 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,0,1,0,0,0|3,0,0]=4 157 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [0,0,1,0,0,0|2,0,0]=3 158 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [0,0,1,0,0,0|2,0,0]=3 159 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,0,1,0,0,0|1,0,0]=2 160 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,0,1,0,0,0|1,0,0]=2 161 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,0,1,0,0,0|1,0,0]=2 162 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,0,1,0,0,0|2,0,0]=3 163 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,0,1,0,0,0|2,0,0]=3 164 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,0,1,0,0,0|2,0,0]=3 165 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,0,1,0,0,0|2,0,0]=3 166 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,0,1,0,0,0|2,0,0]=3 167 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,0,1,0,0,0|2,0,0]=3 168 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,0,1,0,0,0|2,0,0]=3 169 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,0,1,0,0,0|2,0,0]=3 170 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,0,1,0,0,0|2,0,1]=4 171 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,0,1,0,0,0|2,0,1]=4 172 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,0,1,0,0,0|1,0,1]=3 173 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,0,1,0,0,0|1,0,1]=3 174 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,0,1,0,0,0|2,0,1]=4 175 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,0,1,0,0,0|2,0,1]=4 176 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,0,1,0,0,0|2,0,1]=4 177 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,0,1,0,0,0|2,0,1]=4 178 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,0,1,0,0,0|1,1,1]=4 179 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,0,1,0,0,0|1,1,1]=4 180 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,0,1,0,0,0|3,0,0]=4 181 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,0,1,0,0,0|3,0,0]=4 182 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,0,1,0,0,0|3,0,0]=4 183 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,0,1,0,0,0|3,0,0]=4 184 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,0,1,0,0,0|3,0,0]=4 185 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,0,1,0,0,0|3,0,0]=4 186 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,0,1,0,0,0|3,0,0]=4 187 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,0,1,0,0,0|3,0,0]=4 188 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,0,1,0,0,0|3,0,0]=4 189 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,0,1,0,0,0|3,0,0]=4 190 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,0,1,0,0,0|3,0,0]=4 191 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,0,1,0,0,0|3,0,0]=4 192 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,0,1,0,0,0|3,0,0]=4 193 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,0,1,0,0,0|3,0,0]=4 194 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,0,1,0,0,0|3,0,0]=4 195 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,0,1,0,0,0|3,0,0]=4 196 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,0,1,0,0,0|3,0,0]=4 197 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,0,1,0,0,0|3,0,0]=4 198 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,0,1,0,0,0|3,0,0]=4 199 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,0,1,0,0,0|3,0,0]=4 200 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,0,1,0,0,0|3,0,0]=4 201 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,0,1,0,0,0|3,0,0]=4 202 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,0,1,0,0,0|3,0,0]=4 203 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,0,1,0,0,0|3,0,0]=4 204 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,0,1,0,0,0|3,0,0]=4 205 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,0,1,0,0,0|3,0,0]=4 206 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,0,1,0,0,0|3,0,0]=4 207 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,0,1,0,0,0|3,0,0]=4 208 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,0,1,0,0,0|3,0,0]=4 209 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,0,1,0,0,0|3,0,0]=4 210 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,0,1,0,0,0|3,0,0]=4 211 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,0,1,0,0,0|3,0,0]=4 212 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,0,1,0,0,0|3,0,0]=4 213 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,0,1,0,0,0|3,0,0]=4 214 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,0,1,0,0,0|3,0,0]=4 215 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,0,1,0,0,0|3,0,0]=4 216 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,0,1,0,0,0|3,0,0]=4 217 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,0,1,0,0,0|3,0,0]=4 218 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,0,1,0,0,0|3,0,0]=4 219 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,0,1,0,0,0|3,0,0]=4 220 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,0,1,0,0,0|3,0,0]=4 221 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,0,1,0,0,0|3,0,0]=4 222 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,0,1,0,0,0|3,0,0]=4 223 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,0,1,0,0,0|3,0,0]=4 224 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,0,1,0,0,0|3,0,0]=4 225 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,0,1,0,0,0|3,0,0]=4 226 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,0,1,0,0,0|3,0,0]=4 227 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,0,1,0,0,0|3,0,0]=4 228 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,0,1,0,0,0|1,0,2]=4 229 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,0,1,0,0,0|3,0,0]=4 230 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,0,1,0,0,0|3,0,0]=4 231 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,0,1,0,0,0|3,0,0]=4 232 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,0,1,0,0,0|3,0,0]=4 233 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,0,1,0,0,0|3,0,0]=4 234 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,0,1,0,0,0|3,0,0]=4 235 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,1,0,0,0|1,0,1]=3 236 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,0,1,0,0,0|2,0,1]=4 237 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,0,1,0,0,0|2,0,1]=4 238 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,1,0,0,0|1,0,1]=3 239 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,0,1,0,0,0|2,0,1]=4 240 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,0,1,0,0,0|2,0,1]=4 241 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,1,0,0,0|1,0,0]=2 242 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,1,0,0,0|1,0,0]=2 243 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,0,1,0,0,0|2,0,0]=3 244 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,0,1,0,0,0|3,0,0]=4 245 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,0,1,0,0,0|2,0,0]=3 246 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,0,1,0,0,0|2,0,0]=3 247 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,0,1,0,0,0|2,0,0]=3 248 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,0,1,0,0,0|1,0,0]=2 249 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,0,1,0,0,0|1,0,0]=2 250 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,0,1,0,0,0|1,0,0]=2 251 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,0,1,0,0,0|1,0,0]=2 252 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,1,0,0,0|1,0,0]=2 253 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,0,1,0,0,0|3,0,0]=4 254 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,0,1,0,0,0|3,0,0]=4 255 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,0,1,0,0,0|3,0,0]=4 256 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,0,1,0,0,0|3,0,0]=4 257 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,0,1,0,0,0|3,0,0]=4 258 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,0,1,0,0,0|3,0,0]=4 259 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,0,1,0,0,0|3,0,0]=4 260 B6R0.2 CC(C)NC(C)C 2230a_100138425928_100000210206 [0,0,1,0,0,0|2,0,1]=4 261 B6R0.2 CC(C)NC(C)C 34a_100138425928_100000210206 [0,0,1,0,0,0|2,0,1]=4 262 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [0,0,1,0,0,0|1,0,1]=3 263 B6R0.2 CC(C)SC(C)C 62a_100000210206_100000210206 [0,0,1,0,0,0|1,1,1]=4 264 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,0,1,0,0,0|3,0,0]=4 265 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,0,1,0,0,0|3,0,0]=4 266 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,0,1,0,0,0|3,0,0]=4 267 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,0,1,0,0,0|3,0,0]=4 268 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,0,1,0,0,0|2,0,0]=3 269 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,0,1,0,0,0|3,0,0]=4 270 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,0,1,0,0,0|3,0,0]=4 271 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,0,1,0,0,0|3,0,0]=4 272 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,0,1,0,0,0|2,0,0]=3 273 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,0,1,0,0,0|2,0,0]=3 274 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,0,1,0,0,0|1,0,2]=4 275 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,0,1,0,0,0|1,0,2]=4 276 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,0,1,0,0,0|1,0,2]=4 277 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,0,1,0,0,0|1,0,2]=4 278 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [0,0,1,0,0,0|3,0,0]=4 279 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [0,0,1,0,0,0|3,0,0]=4 280 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,0,1,0,0,0|3,0,0]=4 281 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,0,1,0,0,0|3,0,0]=4 282 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,0,1,0,0,0|3,0,0]=4 283 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,0,1,0,0,0|3,0,0]=4 284 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,0,1,0,0,0|3,0,0]=4 285 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,0,1,0,0,0|3,0,0]=4 286 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,0,1,0,0,0|3,0,0]=4 287 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,0,1,0,0,0|3,0,0]=4 288 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,0,1,0,0,0|3,0,0]=4 289 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,0,1,0,0,0|3,0,0]=4 290 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,0,1,0,0,0|3,0,0]=4 291 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,0,1,0,0,0|3,0,0]=4 292 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,0,1,0,0,0|3,0,0]=4 293 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,0,1,0,0,0|3,0,0]=4 294 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,0,1,0,0,0|3,0,0]=4 295 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [0,0,1,0,0,0|3,0,0]=4 296 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [0,0,1,0,0,0|3,0,0]=4 297 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [0,0,1,0,0,0|3,0,0]=4 298 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [0,0,1,0,0,0|3,0,0]=4 299 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [0,0,1,0,0,0|3,0,0]=4 300 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,0,1,0,0,0|1,0,2]=4 301 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,0,1,0,0,0|1,0,2]=4 302 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,0,1,0,0,0|1,0,2]=4 303 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [0,0,1,0,0,0|3,0,0]=4 304 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [0,0,1,0,0,0|3,0,0]=4 305 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [0,0,1,0,0,0|3,0,0]=4 306 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [0,0,1,0,0,0|3,0,0]=4 307 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [0,0,1,0,0,0|3,0,0]=4 308 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [0,0,1,0,0,0|3,0,0]=4 309 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [0,0,1,0,0,0|3,0,0]=4 310 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [0,0,1,0,0,0|3,0,0]=4 311 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [0,0,1,0,0,0|3,0,0]=4 312 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [0,0,1,0,0,0|3,0,0]=4 313 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [0,0,1,0,0,0|3,0,0]=4 314 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [0,0,1,0,0,0|3,0,0]=4 315 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [0,0,1,0,0,0|3,0,0]=4 316 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [0,0,1,0,0,0|1,0,2]=4 317 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,0,1,0,0,0|2,0,1]=4 318 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,0,1,0,0,0|2,0,1]=4 319 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,0,1,0,0,0|2,0,0]=3 320 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,0,1,0,0,0|2,0,0]=3 321 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,0,1,0,0,0|2,0,0]=3 322 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,0,1,0,0,0|2,0,0]=3 323 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,0,1,0,0,0|2,0,0]=3 324 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,0,1,0,0,0|2,0,0]=3 325 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,0,1,0,0,0|3,0,0]=4 326 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,0,1,0,0,0|3,0,0]=4 327 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,0,1,0,0,0|3,0,0]=4 328 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,0,1,0,0,0|3,0,0]=4 329 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,0,1,0,0,0|3,0,0]=4 330 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,0,1,0,0,0|3,0,0]=4 331 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,0,1,0,0,0|3,0,0]=4 332 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,0,1,0,0,0|3,0,0]=4 333 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,0,1,0,0,0|3,0,0]=4 334 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [0,0,1,0,0,0|3,0,0]=4 335 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,0,1,0,0,0|3,0,0]=4 336 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,0,1,0,0,0|3,0,0]=4 337 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,0,1,0,0,0|3,0,0]=4 338 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,0,1,0,0,0|3,0,0]=4 339 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [0,0,1,0,0,0|2,0,0]=3 340 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [0,0,1,0,0,0|2,0,0]=3 341 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,0,1,0,0,0|2,0,0]=3 342 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [0,0,1,0,0,0|2,0,0]=3 343 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [0,0,1,0,0,0|2,0,0]=3 344 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [0,0,1,0,0,0|2,0,0]=3 345 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [0,0,1,0,0,0|2,0,0]=3 346 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [0,0,1,0,0,0|2,0,0]=3 347 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [0,0,1,0,0,0|2,0,1]=4 348 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [0,0,1,0,0,0|2,0,1]=4 349 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [0,0,1,0,0,0|2,0,1]=4 350 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,0,1,0,0,0|1,0,2]=4 351 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,0,1,0,0,0|1,0,2]=4 352 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,0,1,0,0,0|1,0,2]=4 353 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [0,0,1,0,0,0|1,0,2]=4 354 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [0,0,1,0,0,0|1,0,2]=4 355 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,0,1,0,0,0|1,0,2]=4 356 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,0,1,0,0,0|1,0,2]=4 357 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,0,1,0,0,0|1,0,0]=2 358 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,0,1,0,0,0|1,0,0]=2 359 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,0,1,0,0,0|1,0,0]=2 360 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [0,0,1,0,0,0|3,0,0]=4 361 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [0,0,1,0,0,0|3,0,0]=4 362 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [0,0,1,0,0,0|3,0,0]=4 363 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [0,0,1,0,0,0|3,0,0]=4 364 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [0,0,1,0,0,0|3,0,0]=4 365 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [0,0,1,0,0,0|3,0,0]=4 366 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,0,1,0,0,0|2,0,0]=3 367 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,0,1,0,0,0|2,0,0]=3 368 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,0,1,0,0,0|2,0,0]=3 369 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,0,1,0,0,0|2,0,0]=3 370 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,0,1,0,0,0|2,0,0]=3 371 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,0,1,0,0,0|2,0,0]=3 372 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,0,1,0,0,0|1,0,0]=2 373 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [0,0,1,0,0,0|2,0,1]=4 374 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [0,0,1,0,0,0|2,0,1]=4 375 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [0,0,1,0,0,0|2,0,1]=4 376 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [0,0,1,0,0,0|2,0,1]=4 377 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,0,1,0,0,0|3,0,0]=4 378 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,0,1,0,0,0|2,0,0]=3 379 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,0,1,0,0,0|2,0,0]=3 380 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,0,1,0,0,0|2,0,0]=3 381 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,0,1,0,0,0|2,0,0]=3 382 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,0,1,0,0,0|1,0,1]=3 383 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,0,1,0,0,0|2,0,1]=4 384 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,0,1,0,0,0|2,0,1]=4 385 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [0,0,1,0,0,0|2,0,1]=4 386 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,0,1,0,0,0|2,0,0]=3 387 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,0,1,0,0,0|2,0,0]=3 388 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,0,1,0,0,0|2,0,0]=3 389 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,0,1,0,0,0|2,0,0]=3 390 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,0,1,0,0,0|1,0,1]=3 391 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,0,1,0,0,0|1,0,1]=3 392 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [0,0,1,0,0,0|2,0,1]=4 393 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [0,0,1,0,0,0|2,0,1]=4 394 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [0,0,1,0,0,0|2,0,1]=4 395 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [0,0,1,0,0,0|2,0,1]=4 396 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [0,0,1,0,0,0|2,0,1]=4 397 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,0,1,0,0,0|2,0,0]=3 398 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,0,1,0,0,0|2,0,0]=3 399 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,0,1,0,0,0|2,0,0]=3 400 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,0,1,0,0,0|2,0,0]=3 401 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,0,1,0,0,0|3,0,0]=4 402 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,0,1,0,0,0|3,0,0]=4 403 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,0,1,0,0,0|3,0,0]=4 404 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,0,1,0,0,0|3,0,0]=4 405 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [0,0,1,0,0,0|2,0,0]=3 406 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [0,0,1,0,0,0|2,0,0]=3 407 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [0,0,1,0,0,0|2,0,0]=3 408 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [0,0,1,0,0,0|2,0,0]=3 409 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,0,1,0,0,0|3,0,0]=4 410 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,0,1,0,0,0|2,0,0]=3 411 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,0,1,0,0,0|2,0,0]=3 412 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,0,1,0,0,0|2,0,0]=3 413 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,0,1,0,0,0|2,0,0]=3 414 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,0,1,0,0,0|2,0,0]=3 415 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,0,1,0,0,0|2,0,0]=3 416 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,0,1,0,0,0|2,0,0]=3 417 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,0,1,0,0,0|2,0,0]=3 418 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,0,1,0,0,0|2,0,0]=3 419 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [0,0,1,0,0,0|3,0,0]=4 420 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,0,1,0,0,0|3,0,0]=4 421 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,0,1,0,0,0|3,0,0]=4 422 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,0,1,0,0,0|3,0,0]=4 423 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,0,1,0,0,0|2,0,0]=3 424 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,0,1,0,0,0|3,0,0]=4 425 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,0,1,0,0,0|3,0,0]=4 426 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,0,1,0,0,0|2,0,0]=3 427 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,0,1,0,0,0|2,0,0]=3 428 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,0,1,0,0,0|2,0,0]=3 429 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,0,1,0,0,0|2,0,0]=3 430 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,0,1,0,0,0|2,0,0]=3 431 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,0,1,0,0,0|2,0,0]=3 432 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,0,1,0,0,0|2,0,0]=3 433 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,0,1,0,0,0|3,0,0]=4 434 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,0,1,0,0,0|3,0,0]=4 435 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [0,0,1,0,0,0|2,0,0]=3 436 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [0,0,1,0,0,0|2,0,0]=3 437 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,0,1,0,0,0|3,0,0]=4 438 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,0,1,0,0,0|3,0,0]=4 439 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,0,1,0,0,0|3,0,0]=4 440 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [0,0,1,0,0,0|2,0,1]=4 441 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [0,0,1,0,0,0|2,0,1]=4 442 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,0,1,0,0,0|3,0,0]=4 443 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,0,1,0,0,0|3,0,0]=4 444 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,0,1,0,0,0|2,0,0]=3 445 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [0,0,1,0,0,0|2,0,1]=4 446 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [0,0,1,0,0,0|2,0,1]=4 447 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,0,1,0,0,0|2,0,1]=4 448 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,0,1,0,0,0|2,0,0]=3 449 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,0,1,0,0,0|2,0,0]=3 450 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,0,1,0,0,0|2,0,0]=3 451 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,0,1,0,0,0|2,0,0]=3 452 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,0,1,0,0,0|2,0,0]=3 453 B8R2.18 CN1CC2CC2C1 2230a_100000741873_200000210301 [0,0,0,1,0,0|3,0,0]=4 454 B8R2.18 CN1CC2CC2C1 269982a_100000741873_200000210301 [0,0,0,1,0,0|3,0,0]=4 455 B8R2.18 CN1CC2CC2C1 34a_100000741873_200000210301 [0,0,0,1,0,0|3,0,0]=4 456 B8R2.18 [13CH3]N1CC2CC2C1 2230a_100000741873_200025704644 [0,0,0,1,0,0|3,0,0]=4 457 B8R2.18 [13CH3]N1CC2CC2C1 269982a_100000741873_200025704644 [0,0,0,1,0,0|3,0,0]=4 458 B8R2.18 [13CH3]N1CC2CC2C1 34a_100000741873_200025704644 [0,0,0,1,0,0|3,0,0]=4 459 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,0,0,0,1,0|2,0,0]=3 460 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,0,0,0,1,0|2,0,0]=3 461 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,0,0,0,1,0|2,0,0]=3 462 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,0,0,0,1,0|2,0,0]=3 463 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [0,0,0,0,1,0|3,0,0]=4 464 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [0,0,0,0,1,0|3,0,0]=4 465 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [0,0,0,0,1,0|3,0,0]=4 466 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [0,0,0,0,1,0|3,0,0]=4 467 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [0,0,0,0,1,0|3,0,0]=4 468 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [0,0,0,0,1,0|3,0,0]=4 469 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [0,0,0,0,0,1|3,0,0]=4 470 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [0,0,0,0,0,1|3,0,0]=4 471 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [0,0,0,0,0,1|3,0,0]=4 472 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [0,0,0,0,0,1|3,0,0]=4 473 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [0,0,0,0,0,1|3,0,0]=4 474 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [0,0,0,0,0,1|3,0,0]=4 475 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,0,0,0,0,1|3,0,0]=4 476 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,0,0,0,0,1|3,0,0]=4 477 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,0,0,0,0,1|3,0,0]=4 478 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,0,0,0,0,1|3,0,0]=4 479 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,0,0,0,0,1|3,0,0]=4 480 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,0,0,0,0,1|3,0,0]=4 481 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [0,0,0,0,0,1|3,0,0]=4 482 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [0,0,0,0,0,1|3,0,0]=4 483 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [0,0,0,0,0,1|3,0,0]=4 484 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [0,0,0,0,0,1|3,0,0]=4 485 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [0,0,0,0,0,1|3,0,0]=4 486 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [0,0,0,0,0,1|3,0,0]=4 487 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [0,0,0,0,0,1|3,0,0]=4 488 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [0,0,0,0,0,1|3,0,0]=4 489 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [0,0,0,0,0,1|3,0,0]=4 490 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [0,0,0,0,0,1|3,0,0]=4 491 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,0,0,0,0,1|3,0,0]=4 492 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,0,0,0,0,1|3,0,0]=4 493 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,0,0,0,0,1|3,0,0]=4 494 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,0,0,0,0,1|3,0,0]=4 495 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,0,0,0,0,1|3,0,0]=4 496 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,0,0,0,0,1|3,0,0]=4 497 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [0,0,0,0,0,1|3,0,0]=4 498 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [0,0,0,0,0,1|3,0,0]=4 499 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [0,0,0,0,0,1|3,0,0]=4 500 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [0,0,0,0,0,1|3,0,0]=4 501 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [0,0,0,0,0,1|3,0,0]=4 502 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [0,0,0,0,0,1|3,0,0]=4 503 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,0,0,1|2,0,0]=3 504 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,0,0,1|2,0,0]=3 505 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [0,0,0,0,0,1|3,0,0]=4 506 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [0,0,0,0,0,1|3,0,0]=4 507 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [0,0,0,0,0,1|3,0,0]=4 508 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [0,0,0,0,0,1|3,0,0]=4 509 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [0,0,0,0,0,1|3,0,0]=4 510 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [0,0,0,0,0,1|3,0,0]=4 511 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,0,0,1|2,0,0]=3 512 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,0,0,1|2,0,0]=3 513 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,1,0,0,0|1,0,1]=4 514 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,1,0,0,0|1,0,1]=4 515 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,1,0,0,0|2,0,0]=4 516 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,1,0,0,0|2,0,0]=4 517 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,1,0,0,0|2,0,0]=4 518 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,1,0,0,0|2,0,0]=4 519 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,0,1,0,0,0|2,0,0]=4 520 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,0,1,0,0,0|2,0,0]=4 521 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,0,1,0,0,0|2,0,0]=4 522 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,0,1,0,0,0|2,0,0]=4 523 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,0,1,0,0,0|2,0,0]=4 524 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,0,1,0,0,0|1,0,1]=4 525 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,0,1,0,0,0|1,0,1]=4 526 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,0,1,0,0,0|1,0,1]=4 527 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,0,1,0,0,0|1,0,1]=4 528 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,0,1,0,0,0|1,0,1]=4 529 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,1,0,0,0|1,0,1]=4 530 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,1,0,0,0|1,0,1]=4 531 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,1,0,0,0|1,0,0]=3 532 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,1,0,0,0|1,0,0]=3 533 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,1,0,0,0|1,0,0]=3 534 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,1,0,0,0|1,0,0]=3 535 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,1,0,0,0|1,0,0]=3 536 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,1,0,0,0|1,0,0]=3 537 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,0,1,0,0,0|1,0,1]=4 538 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,0,1,0,0,0|1,0,1]=4 539 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,0,1,0,0,0|1,0,1]=4 540 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,0,1,0,0,0|0,0,1]=3 541 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,0,1,0,0,0|0,0,1]=3 542 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,0,1,0,0,0|0,1,1]=4 543 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,0,1,0,0,0|0,1,1]=4 544 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [1,0,1,0,0,0|2,0,0]=4 545 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [1,0,1,0,0,0|2,0,0]=4 546 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,1,0,0,0|2,0,0]=4 547 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,1,0,0,0|2,0,0]=4 548 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,1,0,0,0|2,0,0]=4 549 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,1,0,0,0|2,0,0]=4 550 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,1,0,0,0|1,0,0]=3 551 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,1,0,0,0|1,0,1]=4 552 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,0,1,0,0,0|2,0,0]=4 553 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,0,1,0,0,0|2,0,0]=4 554 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,0,1,0,0,0|2,0,0]=4 555 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,0,1,0,0,0|2,0,0]=4 556 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,0,1,0,0,0|2,0,0]=4 557 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,0,1,0,0,0|2,0,0]=4 558 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,0,1,0,0,0|1,0,1]=4 559 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,0,1,0,0,0|1,0,1]=4 560 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,0,1,0,0,0|1,0,1]=4 561 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,0,1,0,0,0|1,0,1]=4 562 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,0,1,0,0,0|1,0,1]=4 563 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,0,1,0,0,0|1,0,1]=4 564 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,0,1,0,0,0|1,0,1]=4 565 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,0,1,0,0,0|1,0,1]=4 566 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,1,0,0,0|2,0,0]=4 567 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,1,0,0,0|2,0,0]=4 568 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,1,0,0,0|2,0,0]=4 569 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,1,0,0,0|2,0,0]=4 570 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,1,0,0,0|2,0,0]=4 571 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,1,0,0,0|1,0,1]=4 572 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,0,1,0,0,0|2,0,0]=4 573 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,0,1,0,0,0|2,0,0]=4 574 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,0,1,0,0,0|1,0,1]=4 575 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,0,1,0,0,0|1,0,1]=4 576 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,1,0,0,0|2,0,0]=4 577 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,1,0,0,0|2,0,0]=4 578 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,1,0,0,0|2,0,0]=4 579 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,1,0,0,0|2,0,0]=4 580 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,1,0,0,0|1,0,1]=4 581 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,1,0,0,0|1,0,1]=4 582 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,0,1,0,0,0|2,0,0]=4 583 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,0,1,0,0,0|2,0,0]=4 584 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,0,1,0,0,0|1,0,1]=4 585 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,0,1,0,0,0|1,0,1]=4 586 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,0,1,0,0,0|1,0,1]=4 587 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,0,1,0,0,0|1,0,1]=4 588 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,0,1,0,0,0|1,0,1]=4 589 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,0,1,0,0,0|1,0,1]=4 590 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,1,0,0,0|2,0,0]=4 591 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,1,0,0,0|2,0,0]=4 592 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,1,0,0,0|1,0,0]=3 593 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,1,0,0,0|2,0,0]=4 594 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,1,0,0,0|2,0,0]=4 595 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,1,0,0,0|1,0,1]=4 596 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,1,0,0,0|1,0,1]=4 597 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,0,1,0,0,0|2,0,0]=4 598 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,0,1,0,0,0|2,0,0]=4 599 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,0,1,0,0,0|2,0,0]=4 600 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,0,1,0,0,0|2,0,0]=4 601 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,0,1,0,0,0|2,0,0]=4 602 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,0,1,0,0,0|2,0,0]=4 603 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,0,1,0,0,0|2,0,0]=4 604 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,0,1,0,0,0|2,0,0]=4 605 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,0,1,0,0,0|2,0,0]=4 606 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,0,1,0,0,0|2,0,0]=4 607 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,0,1,0,0,0|2,0,0]=4 608 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,0,1,0,0,0|2,0,0]=4 609 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,1,0,0,0|2,0,0]=4 610 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,1,0,0,0|2,0,0]=4 611 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,1,0,0,0|2,0,0]=4 612 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,1,0,0,0|2,0,0]=4 613 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,1,0,0,0|2,0,0]=4 614 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,1,0,0,0|2,0,0]=4 615 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,1,0,0,0|2,0,0]=4 616 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,1,0,0,0|2,0,0]=4 617 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,1,0,0,0|2,0,0]=4 618 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,1,0,0,0|2,0,0]=4 619 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,1,0,0,0|2,0,0]=4 620 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,1,0,0,0|2,0,0]=4 621 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,1,0,0,0|2,0,0]=4 622 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,1,0,0,0|2,0,0]=4 623 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,1,0,0,0|2,0,0]=4 624 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,1,0,0,0|2,0,0]=4 625 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,1,0,0,0|2,0,0]=4 626 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,1,0,0,0|2,0,0]=4 627 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,1,0,0,0|2,0,0]=4 628 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,1,0,0,0|2,0,0]=4 629 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,1,0,0,0|2,0,0]=4 630 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,1,0,0,0|2,0,0]=4 631 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,0,1,0,0,0|1,0,1]=4 632 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,0,1,0,0,0|0,0,1]=3 633 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,0,1,0,0,0|0,0,1]=3 634 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,0,1,0,0,0|1,0,1]=4 635 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,0,1,0,0,0|0,1,1]=4 636 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,0,1,0,0,0|0,1,1]=4 637 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,1,0,0,0|1,0,0]=3 638 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,0,1,0,0,0|1,0,1]=4 639 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,0,1,0,0,0|1,0,1]=4 640 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,0,1,0,0,0|1,0,1]=4 641 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,1,0,0,0|1,0,0]=3 642 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,0,1,0,0,0|1,0,1]=4 643 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,0,1,0,0,0|1,0,1]=4 644 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,0,1,0,0,0|1,0,1]=4 645 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,0,1,0,0,0|1,0,1]=4 646 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,0,1,0,0,0|1,0,1]=4 647 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,0,1,0,0,0|1,0,1]=4 648 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,0,1,0,0,0|1,0,1]=4 649 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,0,1,0,0,0|1,0,1]=4 650 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,0,1,0,0,0|1,0,1]=4 651 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,1,0,0,0|1,0,0]=3 652 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,1,0,0,0|1,0,0]=3 653 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,0,1,0,0,0|1,0,1]=4 654 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,0,1,0,0,0|1,0,1]=4 655 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,0,1,0,0,0|1,0,1]=4 656 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,0,1,0,0,0|1,0,1]=4 657 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,0,1,0,0,0|1,0,1]=4 658 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,0,1,0,0,0|1,0,1]=4 659 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,0,1,0,0,0|1,0,1]=4 660 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,0,1,0,0,0|1,0,1]=4 661 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,0,1,0,0,0|2,0,0]=4 662 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,0,1,0,0,0|2,0,0]=4 663 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,0,1,0,0,0|1,0,1]=4 664 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,0,1,0,0,0|1,0,1]=4 665 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,0,1,0,0,0|0,0,2]=4 666 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,1,0,0,0|0,0,2]=4 667 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,0,1,0,0,0|2,0,0]=4 668 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,0,1,0,0,0|2,0,0]=4 669 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,0,1,0,0,0|2,0,0]=4 670 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,0,1,0,0,0|2,0,0]=4 671 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,0,1,0,0,0|1,0,1]=4 672 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,0,1,0,0,0|1,0,1]=4 673 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,0,1,0,0,0|1,0,1]=4 674 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,1,0,0,0|0,0,0]=2 675 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,0,1,0,0,0|1,0,0]=3 676 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,1,0,0,0|1,0,0]=3 677 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,1,0,0,0|1,0,0]=3 678 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,1,0,0,0|1,0,0]=3 679 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,1,0,0,0|1,0,0]=3 680 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,1,0,0,0|1,0,0]=3 681 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,0,1,0,0,0|1,0,1]=4 682 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,0,1,0,0,0|1,0,1]=4 683 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,0,1,0,0,0|1,0,1]=4 684 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,0,1,0,0,0|1,0,1]=4 685 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,0,1,0,0,0|1,0,1]=4 686 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,1,0,0,0|0,0,1]=3 687 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,1,0,0,0|0,0,1]=3 688 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,1,0,0,0|0,0,1]=3 689 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,0,1,0,0,0|0,1,1]=4 690 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,0,1,0,0,0|0,1,1]=4 691 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,0,1,0,0,0|0,1,1]=4 692 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,0,1,0,0,0|0,1,1]=4 693 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,1,0,0,0|2,0,0]=4 694 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,1,0,0,0|2,0,0]=4 695 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,1,0,0,0|2,0,0]=4 696 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,1,0,0,0|2,0,0]=4 697 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,1,0,0,0|2,0,0]=4 698 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,1,0,0,0|2,0,0]=4 699 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,1,0,0,0|2,0,0]=4 700 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,1,0,0,0|2,0,0]=4 701 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,1,0,0,0|2,0,0]=4 702 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,1,0,0,0|2,0,0]=4 703 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,0,1,0,0,0|2,0,0]=4 704 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,0,1,0,0,0|2,0,0]=4 705 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,0,1,0,0,0|2,0,0]=4 706 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,0,1,0,0,0|1,0,1]=4 707 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,0,1,0,0,0|1,0,1]=4 708 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,0,1,0,0,0|1,0,1]=4 709 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,0,1,0,0,0|1,0,1]=4 710 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,0,1,0,0,0|1,0,1]=4 711 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,0,1,0,0,0|1,0,1]=4 712 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,0,1,0,0,0|1,0,1]=4 713 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,0,1,0,0,0|1,0,1]=4 714 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,0,1,0,0,0|2,0,0]=4 715 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,1,1,0,0,0|1,0,1]=4 716 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,1,1,0,0,0|2,0,0]=4 717 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,1,1,0,0,0|2,0,0]=4 718 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,1,1,0,0,0|2,0,0]=4 719 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,1,1,0,0,0|2,0,0]=4 720 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,1,1,0,0,0|2,0,0]=4 721 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,1,1,0,0,0|2,0,0]=4 722 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,1,1,0,0,0|2,0,0]=4 723 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,1,1,0,0,0|1,0,0]=3 724 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,1,1,0,0,0|1,0,0]=3 725 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,1,1,0,0,0|2,0,0]=4 726 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,1,1,0,0,0|2,0,0]=4 727 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,1,1,0,0,0|2,0,0]=4 728 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,1,1,0,0,0|2,0,0]=4 729 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,1,1,0,0,0|2,0,0]=4 730 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,1,1,0,0,0|1,0,1]=4 731 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,1,1,0,0,0|1,0,1]=4 732 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,1,1,0,0,0|1,0,1]=4 733 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,1,1,0,0,0|1,0,1]=4 734 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,1,1,0,0,0|1,0,1]=4 735 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,1,1,0,0,0|1,0,1]=4 736 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,1,1,0,0,0|1,0,0]=3 737 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,1,1,0,0,0|1,0,0]=3 738 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,1,1,0,0,0|1,0,0]=3 739 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [0,1,1,0,0,0|2,0,0]=4 740 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,1,1,0,0,0|2,0,0]=4 741 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,1,1,0,0,0|2,0,0]=4 742 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,1,1,0,0,0|1,0,0]=3 743 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,1,1,0,0,0|2,0,0]=4 744 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,1,1,0,0,0|1,0,0]=3 745 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,1,1,0,0,0|1,0,0]=3 746 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,1,1,0,0,0|1,0,0]=3 747 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,1,1,0,0,0|1,0,0]=3 748 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,1,1,0,0,0|1,0,0]=3 749 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,1,1,0,0,0|1,0,0]=3 750 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,1,1,0,0,0|1,0,0]=3 751 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,1,1,0,0,0|1,0,0]=3 752 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,1,1,0,0,0|1,0,0]=3 753 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,1,1,0,0,0|1,0,0]=3 754 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,1,1,0,0,0|1,0,0]=3 755 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,1,1,0,0,0|1,0,1]=4 756 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,1,1,0,0,0|1,0,1]=4 757 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,1,1,0,0,0|2,0,0]=4 758 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,1,1,0,0,0|2,0,0]=4 759 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,1,1,0,0,0|2,0,0]=4 760 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,1,1,0,0,0|2,0,0]=4 761 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,1,1,0,0,0|2,0,0]=4 762 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,1,1,0,0,0|2,0,0]=4 763 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,1,1,0,0,0|2,0,0]=4 764 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,1,1,0,0,0|2,0,0]=4 765 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,1,1,0,0,0|2,0,0]=4 766 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,1,1,0,0,0|2,0,0]=4 767 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,1,1,0,0,0|2,0,0]=4 768 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,1,1,0,0,0|2,0,0]=4 769 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,1,1,0,0,0|1,0,0]=3 770 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,1,1,0,0,0|2,0,0]=4 771 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,1,1,0,0,0|2,0,0]=4 772 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,1,1,0,0,0|2,0,0]=4 773 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,1,1,0,0,0|2,0,0]=4 774 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,1,1,0,0,0|2,0,0]=4 775 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,1,1,0,0,0|2,0,0]=4 776 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,1,1,0,0,0|2,0,0]=4 777 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,1,1,0,0,0|2,0,0]=4 778 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,1,1,0,0,0|2,0,0]=4 779 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,1,1,0,0,0|2,0,0]=4 780 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,1,1,0,0,0|1,0,0]=3 781 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,1,1,0,0,0|1,0,0]=3 782 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,1,1,0,0,0|2,0,0]=4 783 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,1,1,0,0,0|1,0,1]=4 784 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,1,1,0,0,0|1,0,1]=4 785 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [0,1,1,0,0,0|1,0,1]=4 786 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [0,1,1,0,0,0|1,0,1]=4 787 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [0,1,1,0,0,0|1,0,1]=4 788 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [0,1,1,0,0,0|1,0,1]=4 789 B7R0.3 C#CCOC(C)CC 34a_100000210247_100011215416 [0,1,1,0,0,0|1,0,1]=4 790 B7R0.3 C#CCOC(C)CC 7a_100000210228_100000038162 [0,1,1,0,0,0|1,0,1]=4 791 B7R0.3 C#C[C@@H](C)OCC=O 34a_100009815206_200009817547 [0,1,1,0,0,0|0,0,2]=4 792 B7R0.3 C#C[C@@H](C)OCC=O 7a_100009815206_200015260668 [0,1,1,0,0,0|0,0,2]=4 793 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,1,1,0,0,0|1,0,1]=4 794 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [0,1,1,0,0,0|0,0,2]=4 795 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,1,1,0,0,0|1,0,1]=4 796 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,1,1,0,0,0|1,0,1]=4 797 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,1,1,0,0,0|1,0,1]=4 798 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,1,1,0,0,0|1,0,1]=4 799 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,1,1,0,0,0|1,0,1]=4 800 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [0,1,1,0,0,0|2,0,0]=4 801 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [0,1,1,0,0,0|2,0,0]=4 802 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,1,1,0,0,0|1,0,0]=3 803 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,1,1,0,0,0|1,0,0]=3 804 B7R0.3 C=CCOC(C)CF 34a_100016041109_100015514636 [0,1,1,0,0,0|2,0,0]=4 805 B7R0.3 C=CCOC(C)CF 7a_100016041109_100015514636 [0,1,1,0,0,0|2,0,0]=4 806 B7R0.3 C=CCOC(C)CN 34a_100000210904_100015514636 [0,1,1,0,0,0|2,0,0]=4 807 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [0,1,1,0,0,0|2,0,0]=4 808 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [0,1,1,0,0,0|1,1,0]=4 809 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [0,1,1,0,0,0|1,1,0]=4 810 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,1,1,0,0,0|1,0,1]=4 811 B7R0.3 CC(C#N)OCC=O 34a_100011218135_200009817547 [0,1,1,0,0,0|1,0,1]=4 812 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [0,1,1,0,0,0|1,0,0]=3 813 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [0,1,1,0,0,0|1,0,0]=3 814 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [0,1,1,0,0,0|1,0,0]=3 815 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [0,1,1,0,0,0|1,1,0]=4 816 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,1,1,0,0,0|1,0,1]=4 817 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,1,1,0,0,0|1,0,1]=4 818 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,1,1,0,0,0|1,0,1]=4 819 B7R0.3 CC=NNC(C)CC 4a_100000718999_200000210099 [0,1,1,0,0,0|2,0,0]=4 820 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,1,1,0,0,0|1,0,0]=3 821 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [0,1,1,0,0,0|2,0,0]=4 822 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [0,1,1,0,0,0|1,0,1]=4 823 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,1,1,0,0,0|1,0,1]=4 824 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,1,1,0,0,0|1,0,1]=4 825 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,1,1,0,0,0|1,0,1]=4 826 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,1,1,0,0,0|1,0,0]=3 827 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,1,1,0,0,0|1,0,0]=3 828 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,1,1,0,0,0|1,0,0]=3 829 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,1,1,0,0,0|1,0,0]=3 830 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,1,1,0,0,0|1,0,0]=3 831 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,1,1,0,0,0|1,0,0]=3 832 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,1,1,0,0,0|1,0,0]=3 833 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,1,1,0,0,0|1,1,0]=4 834 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,1,1,0,0,0|1,1,0]=4 835 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [0,1,1,0,0,0|1,0,1]=4 836 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [0,1,1,0,0,0|1,0,1]=4 837 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,1,1,0,0,0|1,0,0]=3 838 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,1,1,0,0,0|1,0,0]=3 839 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,1,1,0,0,0|1,0,0]=3 840 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,1,1,0,0,0|1,0,0]=3 841 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,1,1,0,0,0|1,0,0]=3 842 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,1,1,0,0,0|1,0,0]=3 843 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,1,1,0,0,0|1,0,0]=3 844 B7R0.3 CCC(C)OCC#N 7a_100000210228_100011215382 [0,1,1,0,0,0|1,0,1]=4 845 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,1,1,0,0,0|0,0,0]=2 846 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,1,1,0,0,0|1,0,1]=4 847 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,1,1,0,0,0|1,0,1]=4 848 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,1,1,0,0,0|1,0,1]=4 849 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,1,1,0,0,0|0,0,2]=4 850 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,1,1,0,0,0|0,1,0]=3 851 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,1,1,0,0,0|0,1,0]=3 852 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,1,1,0,0,0|1,0,0]=3 853 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,1,1,0,0,0|2,0,0]=4 854 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,1,1,0,0,0|2,0,0]=4 855 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,1,1,0,0,0|2,0,0]=4 856 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,1,1,0,0,0|2,0,0]=4 857 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,1,1,0,0,0|1,0,0]=3 858 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,1,1,0,0,0|1,0,0]=3 859 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,1,1,0,0,0|2,0,0]=4 860 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,1,1,0,0,0|2,0,0]=4 861 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,1,1,0,0,0|2,0,0]=4 862 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,1,1,0,0,0|2,0,0]=4 863 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,1,1,0,0,0|2,0,0]=4 864 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,1,1,0,0,0|2,0,0]=4 865 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,1,1,0,0,0|1,0,0]=3 866 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,1,1,0,0,0|1,0,0]=3 867 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,1,1,0,0,0|1,0,0]=3 868 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,1,1,0,0,0|1,0,0]=3 869 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,1,1,0,0,0|2,0,0]=4 870 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,1,1,0,0,0|2,0,0]=4 871 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,1,1,0,0,0|2,0,0]=4 872 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,1,1,0,0,0|2,0,0]=4 873 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,1,1,0,0,0|2,0,0]=4 874 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,1,1,0,0,0|2,0,0]=4 875 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,1,1,0,0,0|2,0,0]=4 876 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,1,1,0,0,0|2,0,0]=4 877 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,1,1,0,0,0|1,0,1]=4 878 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,1,1,0,0,0|1,0,1]=4 879 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,1,1,0,0,0|2,0,0]=4 880 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,1,1,0,0,0|2,0,0]=4 881 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,1,1,0,0,0|2,0,0]=4 882 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,1,1,0,0,0|1,0,0]=3 883 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,1,1,0,0,0|2,0,0]=4 884 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [0,1,1,0,0,0|2,0,0]=4 885 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [0,1,1,0,0,0|2,0,0]=4 886 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [0,1,1,0,0,0|2,0,0]=4 887 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,1,1,0,0,0|0,0,0]=2 888 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,1,1,0,0,0|0,0,0]=2 889 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,1,1,0,0,0|1,0,0]=3 890 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,1,1,0,0,0|1,0,0]=3 891 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,1,1,0,0,0|1,0,0]=3 892 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,1,1,0,0,0|1,0,0]=3 893 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,1,1,0,0,0|1,0,0]=3 894 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,1,1,0,0,0|1,0,0]=3 895 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,1,1,0,0,0|1,0,0]=3 896 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,1,1,0,0,0|1,0,0]=3 897 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,1,1,0,0,0|1,0,1]=4 898 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,1,1,0,0,0|0,0,2]=4 899 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [0,1,1,0,0,0|2,0,0]=4 900 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,1,1,0,0,0|1,0,1]=4 901 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,1,1,0,0,0|1,0,1]=4 902 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,1,1,0,0,0|0,1,0]=3 903 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,1,1,0,0,0|0,1,0]=3 904 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,1,1,0,0,0|0,1,0]=3 905 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,1,1,0,0,0|1,1,0]=4 906 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,1,1,0,0,0|1,1,0]=4 907 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,1,1,0,0,0|1,1,0]=4 908 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,1,1,0,0,0|1,1,0]=4 909 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,1,1,0,0,0|1,1,0]=4 910 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,1,1,0,0,0|1,1,0]=4 911 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,1,1,0,0,0|1,1,0]=4 912 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,1,1,0,0,0|1,1,0]=4 913 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,1,1,0,0,0|1,1,0]=4 914 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [0,1,1,0,0,0|1,0,1]=4 915 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,1,1,0,0,0|2,0,0]=4 916 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,1,1,0,0,0|2,0,0]=4 917 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,1,1,0,0,0|2,0,0]=4 918 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,1,1,0,0,0|2,0,0]=4 919 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,1,1,0,0,0|2,0,0]=4 920 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,1,1,0,0,0|2,0,0]=4 921 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,1,1,0,0,0|2,0,0]=4 922 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,1,1,0,0,0|2,0,0]=4 923 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,1,1,0,0,0|2,0,0]=4 924 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,1,1,0,0,0|2,0,0]=4 925 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,1,1,0,0,0|2,0,0]=4 926 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,1,1,0,0,0|2,0,0]=4 927 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,1,1,0,0,0|2,0,0]=4 928 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,1,1,0,0,0|2,0,0]=4 929 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,1,1,0,0,0|2,0,0]=4 930 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,1,1,0,0,0|2,0,0]=4 931 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,1,1,0,0,0|2,0,0]=4 932 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,1,1,0,0,0|2,0,0]=4 933 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,1,1,0,0,0|2,0,0]=4 934 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,1,1,0,0,0|2,0,0]=4 935 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,1,1,0,0,0|2,0,0]=4 936 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,1,1,0,0,0|2,0,0]=4 937 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,1,1,0,0,0|2,0,0]=4 938 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,1,1,0,0,0|2,0,0]=4 939 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,1,1,0,0,0|2,0,0]=4 940 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,1,1,0,0,0|2,0,0]=4 941 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,1,1,0,0,0|2,0,0]=4 942 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,1,1,0,0,0|2,0,0]=4 943 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,1,1,0,0,0|2,0,0]=4 944 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,1,1,0,0,0|2,0,0]=4 945 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,1,1,0,0,0|2,0,0]=4 946 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,1,1,0,0,0|2,0,0]=4 947 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,1,1,0,0,0|2,0,0]=4 948 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,1,1,0,0,0|2,0,0]=4 949 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,1,1,0,0,0|2,0,0]=4 950 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,1,1,0,0,0|2,0,0]=4 951 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,1,1,0,0,0|2,0,0]=4 952 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,1,1,0,0,0|2,0,0]=4 953 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,1,1,0,0,0|1,0,0]=3 954 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,1,1,0,0,0|1,0,0]=3 955 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [0,1,1,0,0,0|1,1,0]=4 956 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [0,1,1,0,0,0|1,1,0]=4 957 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,1,1,0,0,0|2,0,0]=4 958 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,1,1,0,0,0|2,0,0]=4 959 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,1,1,0,0,0|2,0,0]=4 960 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,1,1,0,0,0|2,0,0]=4 961 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,1,1,0,0,0|2,0,0]=4 962 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,1,1,0,0,0|2,0,0]=4 963 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [0,1,1,0,0,0|1,1,0]=4 964 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [0,1,1,0,0,0|1,1,0]=4 965 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,1,1,0,0,0|2,0,0]=4 966 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,1,1,0,0,0|2,0,0]=4 967 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,1,1,0,0,0|2,0,0]=4 968 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,1,1,0,0,0|2,0,0]=4 969 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,1,1,0,0,0|2,0,0]=4 970 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,1,1,0,0,0|2,0,0]=4 971 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,1,1,0,0,0|1,0,1]=4 972 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,1,1,0,0,0|1,0,1]=4 973 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [0,1,1,0,0,0|1,0,1]=4 974 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,1,1,0,0,0|2,0,0]=4 975 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,1,1,0,0,0|2,0,0]=4 976 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,1,1,0,0,0|2,0,0]=4 977 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,1,1,0,0,0|2,0,0]=4 978 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,1,1,0,0,0|2,0,0]=4 979 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [0,1,1,0,0,0|1,0,1]=4 980 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [0,1,1,0,0,0|2,0,0]=4 981 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [0,1,1,0,0,0|2,0,0]=4 982 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,1,1,0,0,0|2,0,0]=4 983 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,1,1,0,0,0|1,0,1]=4 984 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,1,1,0,0,0|1,0,0]=3 985 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,1,1,0,0,0|1,0,0]=3 986 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,1,1,0,0,0|1,0,0]=3 987 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,1,1,0,0,0|2,0,0]=4 988 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,1,1,0,0,0|2,0,0]=4 989 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,1,1,0,0,0|2,0,0]=4 990 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,1,1,0,0,0|2,0,0]=4 991 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,1,1,0,0,0|2,0,0]=4 992 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,1,1,0,0,0|1,0,0]=3 993 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,1,1,0,0,0|1,0,0]=3 994 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,1,1,0,0,0|1,0,1]=4 995 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,1,1,0,0,0|1,0,1]=4 996 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,1,1,0,0,0|1,0,0]=3 997 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,1,1,0,0,0|1,0,0]=3 998 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,1,1,0,0,0|1,0,0]=3 999 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,1,1,0,0,0|1,0,0]=3 1000 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,1,1,0,0,0|1,0,0]=3 1001 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,1,1,0,0,0|1,0,0]=3 1002 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [0,1,1,0,0,0|2,0,0]=4 1003 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [0,1,1,0,0,0|2,0,0]=4 1004 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [0,1,1,0,0,0|2,0,0]=4 1005 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [0,1,1,0,0,0|2,0,0]=4 1006 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,1,1,0,0,0|2,0,0]=4 1007 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,1,1,0,0,0|1,0,0]=3 1008 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,1,1,0,0,0|1,0,0]=3 1009 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,1,1,0,0,0|1,0,1]=4 1010 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,1,1,0,0,0|2,0,0]=4 1011 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,1,1,0,0,0|2,0,0]=4 1012 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,1,1,0,0,0|2,0,0]=4 1013 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [0,1,1,0,0,0|2,0,0]=4 1014 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [0,1,1,0,0,0|2,0,0]=4 1015 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,1,1,0,0,0|2,0,0]=4 1016 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,1,1,0,0,0|2,0,0]=4 1017 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,1,1,0,0,0|2,0,0]=4 1018 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,1,1,0,0,0|2,0,0]=4 1019 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,1,1,0,0,0|2,0,0]=4 1020 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,1,1,0,0,0|2,0,0]=4 1021 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,1,1,0,0,0|2,0,0]=4 1022 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,1,1,0,0,0|2,0,0]=4 1023 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,1,1,0,0,0|2,0,0]=4 1024 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,1,1,0,0,0|2,0,0]=4 1025 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,1,1,0,0,0|2,0,0]=4 1026 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [0,1,1,0,0,0|1,0,1]=4 1027 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [0,1,1,0,0,0|1,0,1]=4 1028 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [0,1,1,0,0,0|1,0,1]=4 1029 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,1,1,0,0,0|2,0,0]=4 1030 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,1,1,0,0,0|1,0,1]=4 1031 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,1,1,0,0,0|1,0,1]=4 1032 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,1,1,0,0,0|1,0,1]=4 1033 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,1,1,0,0,0|1,0,1]=4 1034 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,1,1,0,0,0|1,0,1]=4 1035 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [0,1,1,0,0,0|2,0,0]=4 1036 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [0,1,1,0,0,0|2,0,0]=4 1037 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [0,1,1,0,0,0|2,0,0]=4 1038 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [0,1,1,0,0,0|2,0,0]=4 1039 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,1,1,0,0,0|2,0,0]=4 1040 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,1,1,0,0,0|2,0,0]=4 1041 B7R0.7 C=COC(=O)CNC 2230a_106832991635_100000036128 [0,1,1,0,0,0|0,0,2]=4 1042 B7R0.7 C=COC(=O)CNC 34a_100102657272_100000036128 [0,1,1,0,0,0|0,0,2]=4 1043 B7R0.7 C=COC(=O)COC 34a_100138415774_100000036128 [0,1,1,0,0,0|0,0,2]=4 1044 B7R0.7 C=COC(=O)CSC 62a_100000036128_200000210301 [0,1,1,0,0,0|0,0,2]=4 1045 B7R0.7 C=COC(=O)CSC 62a_200000210301_100000036128 [0,1,1,0,0,0|0,0,2]=4 1046 B7R0.7 C=COC(=O)CS[13CH3] 62a_100000036128_200025704644 [0,1,1,0,0,0|0,0,2]=4 1047 B7R0.7 C=COC(=O)CS[13CH3] 62a_200025704644_100000036128 [0,1,1,0,0,0|0,0,2]=4 1048 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [0,1,1,0,0,0|1,0,1]=4 1049 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [0,1,1,0,0,0|1,0,1]=4 1050 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [0,1,1,0,0,0|1,0,1]=4 1051 B7R0.7 CC(CCBr)OCF 34a_100012276601_100015361967 [0,1,1,0,0,0|1,0,1]=4 1052 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,1,1,0,0,0|1,0,1]=4 1053 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,1,1,0,0,0|1,0,1]=4 1054 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,1,1,0,0,0|1,0,1]=4 1055 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,1,1,0,0,0|1,0,1]=4 1056 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,1,1,0,0,0|1,0,1]=4 1057 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [0,1,1,0,0,0|1,0,1]=4 1058 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [0,1,1,0,0,0|1,0,1]=4 1059 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,1,1,0,0,0|1,0,0]=3 1060 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,1,1,0,0,0|1,0,0]=3 1061 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,1,1,0,0,0|1,0,0]=3 1062 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,1,1,0,0,0|1,0,0]=3 1063 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,1,1,0,0,0|1,0,0]=3 1064 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,1,1,0,0,0|1,0,0]=3 1065 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,1,1,0,0,0|1,0,0]=3 1066 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,1,1,0,0,0|1,0,0]=3 1067 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,1,1,0,0,0|1,0,0]=3 1068 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,1,1,0,0,0|1,0,0]=3 1069 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,1,1,0,0,0|1,0,0]=3 1070 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,1,1,0,0,0|1,0,0]=3 1071 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,1,1,0,0,0|1,0,0]=3 1072 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,1,1,0,0,0|1,0,0]=3 1073 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,1,1,0,0,0|1,0,0]=3 1074 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,1,1,0,0,0|2,0,0]=4 1075 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,1,1,0,0,0|1,0,1]=4 1076 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,1,1,0,0,0|1,0,1]=4 1077 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,1,1,0,0,0|1,0,1]=4 1078 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,1,1,0,0,0|1,0,1]=4 1079 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,1,1,0,0,0|1,0,1]=4 1080 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,1,1,0,0,0|2,0,0]=4 1081 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,1,1,0,0,0|2,0,0]=4 1082 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [0,1,1,0,0,0|1,0,1]=4 1083 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,1,1,0,0,0|1,0,0]=3 1084 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,1,1,0,0,0|1,0,0]=3 1085 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,1,1,0,0,0|1,0,0]=3 1086 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,1,1,0,0,0|1,0,0]=3 1087 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,1,1,0,0,0|1,0,0]=3 1088 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,1,1,0,0,0|1,0,0]=3 1089 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,1,1,0,0,0|1,0,0]=3 1090 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,1,1,0,0,0|1,0,0]=3 1091 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,1,1,0,0,0|1,0,0]=3 1092 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,1,1,0,0,0|1,0,0]=3 1093 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,1,1,0,0,0|1,0,0]=3 1094 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,1,1,0,0,0|1,0,0]=3 1095 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,1,1,0,0,0|1,0,0]=3 1096 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,1,1,0,0,0|1,0,0]=3 1097 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,1,1,0,0,0|1,0,0]=3 1098 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,1,1,0,0,0|1,0,0]=3 1099 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,1,1,0,0,0|1,0,0]=3 1100 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,1,1,0,0,0|1,0,0]=3 1101 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,1,1,0,0,0|1,0,0]=3 1102 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,1,1,0,0,0|1,0,0]=3 1103 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,1,1,0,0,0|2,0,0]=4 1104 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,1,1,0,0,0|2,0,0]=4 1105 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,1,1,0,0,0|2,0,0]=4 1106 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,1,1,0,0,0|0,0,0]=2 1107 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,1,1,0,0,0|0,0,0]=2 1108 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,1,1,0,0,0|0,0,0]=2 1109 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,1,1,0,0,0|0,0,0]=2 1110 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,1,1,0,0,0|0,0,0]=2 1111 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,1,1,0,0,0|0,0,0]=2 1112 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,1,1,0,0,0|0,0,0]=2 1113 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,1,1,0,0,0|0,0,0]=2 1114 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,1,1,0,0,0|1,0,1]=4 1115 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,1,1,0,0,0|1,0,1]=4 1116 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,1,1,0,0,0|1,0,1]=4 1117 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,1,1,0,0,0|1,0,1]=4 1118 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [0,1,1,0,0,0|2,0,0]=4 1119 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [0,1,1,0,0,0|2,0,0]=4 1120 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,1,1,0,0,0|2,0,0]=4 1121 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,1,1,0,0,0|2,0,0]=4 1122 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,1,1,0,0,0|2,0,0]=4 1123 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,1,1,0,0,0|2,0,0]=4 1124 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,1,1,0,0,0|2,0,0]=4 1125 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [0,1,1,0,0,0|2,0,0]=4 1126 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,1,1,0,0,0|2,0,0]=4 1127 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,1,1,0,0,0|2,0,0]=4 1128 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,1,1,0,0,0|2,0,0]=4 1129 B7R0.7 COC[C@@H](C)OCF 34a_100011934205_100015361967 [0,1,1,0,0,0|1,0,1]=4 1130 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [0,1,1,0,0,0|2,0,0]=4 1131 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,1,1,0,0,0|2,0,0]=4 1132 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [0,1,1,0,0,0|2,0,0]=4 1133 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [0,1,1,0,0,0|2,0,0]=4 1134 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [0,1,1,0,0,0|2,0,0]=4 1135 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [0,1,1,0,0,0|2,0,0]=4 1136 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [0,1,1,0,0,0|2,0,0]=4 1137 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [0,1,1,0,0,0|2,0,0]=4 1138 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,1,0,0,0|1,0,1]=4 1139 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,1,1,0,0,0|2,0,0]=4 1140 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,1,1,0,0,0|2,0,0]=4 1141 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,1,0,0,0|1,0,0]=3 1142 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,1,0,0,0|1,0,0]=3 1143 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,1,1,0,0,0|2,0,0]=4 1144 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,1,1,0,0,0|2,0,0]=4 1145 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,1,1,0,0,0|2,0,0]=4 1146 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,1,1,0,0,0|2,0,0]=4 1147 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,1,1,0,0,0|2,0,0]=4 1148 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,1,1,0,0,0|2,0,0]=4 1149 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,1,1,0,0,0|2,0,0]=4 1150 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,1,1,0,0,0|2,0,0]=4 1151 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,1,1,0,0,0|1,0,0]=3 1152 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,1,1,0,0,0|2,0,0]=4 1153 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,1,1,0,0,0|1,0,0]=3 1154 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,1,1,0,0,0|1,0,0]=3 1155 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,1,1,0,0,0|1,0,0]=3 1156 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,1,1,0,0,0|1,0,0]=3 1157 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,1,1,0,0,0|2,0,0]=4 1158 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,1,0,0,0|2,0,0]=4 1159 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,1,1,0,0,0|2,0,0]=4 1160 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,1,1,0,0,0|2,0,0]=4 1161 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,1,1,0,0,0|2,0,0]=4 1162 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,1,1,0,0,0|2,0,0]=4 1163 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,1,1,0,0,0|2,0,0]=4 1164 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,1,1,0,0,0|2,0,0]=4 1165 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,1,1,0,0,0|2,0,0]=4 1166 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,1,1,0,0,0|2,0,0]=4 1167 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,1,1,0,0,0|2,0,0]=4 1168 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,1,1,0,0,0|2,0,0]=4 1169 B7R0.11 CCC(C)(C)OCF 7a_100000210230_100015361967 [0,1,1,0,0,0|1,0,1]=4 1170 B7R0.11 CCNS(=O)(=O)CC 270084a_100015525214_100000211323 [0,1,1,0,0,0|2,0,0]=4 1171 B7R0.11 CCNS(=O)(=O)CC 274078a_100015525214_100000211323 [0,1,1,0,0,0|2,0,0]=4 1172 B7R0.11 CCNS(=O)(=O)CC 40a_100015525214_100000053943 [0,1,1,0,0,0|2,0,0]=4 1173 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [0,1,1,0,0,0|1,0,1]=4 1174 B7R0.12 C#CC(CC)OCC 34a_100000758843_100000210202 [0,1,1,0,0,0|1,0,1]=4 1175 B7R0.12 C#CC(CC)OCC 7a_100000758843_100000210202 [0,1,1,0,0,0|1,0,1]=4 1176 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [0,1,1,0,0,0|1,0,1]=4 1177 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [0,1,1,0,0,0|1,0,1]=4 1178 B7R0.12 CCC(CC)OCF 7a_100000688536_100015361967 [0,1,1,0,0,0|1,0,1]=4 1179 B7R0.12 CCN(CC)CC=O 2230a_100000724800_200015260668 [0,1,1,0,0,0|2,0,0]=4 1180 B7R0.12 CCN(CC)CC=O 269956a_100000042499_200015260668 [0,1,1,0,0,0|2,0,0]=4 1181 B7R0.12 CCN(CC)CC=O 269982a_100000724800_200015260668 [0,1,1,0,0,0|2,0,0]=4 1182 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [0,1,1,0,0,0|1,0,1]=4 1183 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [0,1,1,0,0,0|1,0,0]=3 1184 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,1,1,0,0,0|1,0,0]=3 1185 B7R0.9 CC(=O)C[N+](C)(C)C 1458a_100000033712_200000210301 [0,1,1,0,0,0|2,0,0]=4 1186 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100000070787_100000233785 [0,1,1,0,0,0|1,1,0]=4 1187 B7R0.9 CC(=O)C[Si](C)(C)C 1458a_100011218504_200000210301 [0,1,1,0,0,0|1,1,0]=4 1188 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [0,1,1,0,0,0|1,0,0]=3 1189 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [0,1,1,0,0,0|1,0,0]=3 1190 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [0,1,1,0,0,0|1,0,0]=3 1191 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [0,1,1,0,0,0|1,0,0]=3 1192 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [0,1,1,0,0,0|1,0,0]=3 1193 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,1,1,0,0,0|1,0,0]=3 1194 B7R0.9 CC(C)OC(C)(C)C 34a_100000212225_100000210625 [0,1,1,0,0,0|1,0,1]=4 1195 B7R0.9 CC(C)OC(C)(C)C 34a_100015890283_100000210206 [0,1,1,0,0,0|1,0,1]=4 1196 B7R0.9 CC(C)OC(C)(C)C 7a_100015890283_100000210206 [0,1,1,0,0,0|1,0,1]=4 1197 B7R0.9 C[N+](C)(C)CC(=O)[13CH3] 1458a_100000033712_200025704644 [0,1,1,0,0,0|2,0,0]=4 1198 B7R0.9 C[Si](C)(C)CC(=O)[13CH3] 1458a_100011218504_200025704644 [0,1,1,0,0,0|1,1,0]=4 1199 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,1,1,0,0,0|2,0,0]=4 1200 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,1,1,0,0,0|2,0,0]=4 1201 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,1,1,0,0,0|1,0,0]=3 1202 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,1,1,0,0,0|2,0,0]=4 1203 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,1,1,0,0,0|2,0,0]=4 1204 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,1,1,0,0,0|1,0,0]=3 1205 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,1,1,0,0,0|1,0,0]=3 1206 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,1,1,0,0,0|1,0,0]=3 1207 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,1,1,0,0,0|1,0,0]=3 1208 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,1,1,0,0,0|2,0,0]=4 1209 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,1,1,0,0,0|1,0,0]=3 1210 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,1,1,0,0,0|1,0,0]=3 1211 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,1,1,0,0,0|1,0,0]=3 1212 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,1,1,0,0,0|2,0,0]=4 1213 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,1,1,0,0,0|2,0,0]=4 1214 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [0,1,1,0,0,0|1,0,1]=4 1215 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [0,1,1,0,0,0|1,0,1]=4 1216 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [0,1,1,0,0,0|1,0,1]=4 1217 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [0,1,1,0,0,0|0,0,2]=4 1218 B7R0.4 C#CCNCC(C)O 2230a_100000210904_100000038162 [0,1,1,0,0,0|1,0,1]=4 1219 B7R0.4 C#CCNCC(C)O 34a_100000210904_100000184674 [0,1,1,0,0,0|1,0,1]=4 1220 B7R0.4 C#CCNCC(C)O 34a_100000212058_100011218427 [0,1,1,0,0,0|1,0,1]=4 1221 B7R0.4 C#CCNC[C@@H](C)O 34a_100000212058_100009817552 [0,1,1,0,0,0|1,0,1]=4 1222 B7R0.4 C#CCOCC(C)O 34a_100000210247_100011218427 [0,1,1,0,0,0|1,0,1]=4 1223 B7R0.4 C#CCOC[C@@H](C)O 34a_100000210247_100009817552 [0,1,1,0,0,0|1,0,1]=4 1224 B7R0.4 C#CCSCC(C)O 62a_100000038162_100011218427 [0,1,1,0,0,0|1,0,1]=4 1225 B7R0.4 C#CCSC[C@@H](C)O 62a_100000038162_100009817552 [0,1,1,0,0,0|1,0,1]=4 1226 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [0,1,1,0,0,0|2,0,0]=4 1227 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,1,1,0,0,0|2,0,0]=4 1228 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,1,1,0,0,0|2,0,0]=4 1229 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,1,1,0,0,0|2,0,0]=4 1230 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,1,1,0,0,0|2,0,0]=4 1231 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,1,1,0,0,0|2,0,0]=4 1232 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [0,1,1,0,0,0|1,0,1]=4 1233 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,1,1,0,0,0|2,0,0]=4 1234 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,1,1,0,0,0|2,0,0]=4 1235 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [0,1,1,0,0,0|1,0,1]=4 1236 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [0,1,1,0,0,0|1,0,1]=4 1237 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,1,1,0,0,0|2,0,0]=4 1238 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,1,1,0,0,0|2,0,0]=4 1239 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [0,1,1,0,0,0|2,0,0]=4 1240 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [0,1,1,0,0,0|2,0,0]=4 1241 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,1,1,0,0,0|2,0,0]=4 1242 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,1,1,0,0,0|2,0,0]=4 1243 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,1,1,0,0,0|1,0,1]=4 1244 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,1,1,0,0,0|1,0,1]=4 1245 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,1,1,0,0,0|1,0,1]=4 1246 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [0,1,1,0,0,0|2,0,0]=4 1247 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [0,1,1,0,0,0|2,0,0]=4 1248 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [0,1,1,0,0,0|2,0,0]=4 1249 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [0,1,1,0,0,0|2,0,0]=4 1250 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [0,1,1,0,0,0|2,0,0]=4 1251 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [0,1,1,0,0,0|2,0,0]=4 1252 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [0,1,1,0,0,0|2,0,0]=4 1253 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,1,1,0,0,0|0,0,2]=4 1254 B7R0.4 C=CCNCC(C)C 2230a_100000210953_100000210623 [0,1,1,0,0,0|2,0,0]=4 1255 B7R0.4 C=CCNCC(C)C 2230a_100020586998_100000210760 [0,1,1,0,0,0|2,0,0]=4 1256 B7R0.4 C=CCNCC(C)C 270004a_100020586998_100000210432 [0,1,1,0,0,0|2,0,0]=4 1257 B7R0.4 C=CCNCC(C)C 34a_100000210953_100015514636 [0,1,1,0,0,0|2,0,0]=4 1258 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [0,1,1,0,0,0|1,0,0]=3 1259 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [0,1,1,0,0,0|1,0,0]=3 1260 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [0,1,1,0,0,0|1,0,0]=3 1261 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [0,1,1,0,0,0|1,0,0]=3 1262 B7R0.4 C=CCOCC(C)Br 34a_100012180447_100015514636 [0,1,1,0,0,0|2,0,0]=4 1263 B7R0.4 C=CCOCC(C)C 34a_100000210257_100015514636 [0,1,1,0,0,0|2,0,0]=4 1264 B7R0.4 C=CCOCC(C)C 34a_200000210373_100000210624 [0,1,1,0,0,0|2,0,0]=4 1265 B7R0.4 C=CCOCC(C)F 34a_100015925927_100015514636 [0,1,1,0,0,0|2,0,0]=4 1266 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [0,1,1,0,0,0|1,0,0]=3 1267 B7R0.4 C=CCOC[C@@H](C)Cl 34a_100016084084_100015514636 [0,1,1,0,0,0|2,0,0]=4 1268 B7R0.4 C=CCOC[C@@H](C)N 34a_100000737577_100015514636 [0,1,1,0,0,0|2,0,0]=4 1269 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [0,1,1,0,0,0|1,0,0]=3 1270 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [0,1,1,0,0,0|2,0,0]=4 1271 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [0,1,1,0,0,0|2,0,0]=4 1272 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [0,1,1,0,0,0|1,0,0]=3 1273 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [0,1,1,0,0,0|1,0,0]=3 1274 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [0,1,1,0,0,0|1,0,0]=3 1275 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [0,1,1,0,0,0|1,0,0]=3 1276 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [0,1,1,0,0,0|1,0,1]=4 1277 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [0,1,1,0,0,0|1,0,1]=4 1278 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,1,1,0,0,0|1,0,0]=3 1279 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,1,1,0,0,0|1,0,0]=3 1280 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,1,1,0,0,0|1,0,0]=3 1281 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,1,1,0,0,0|1,0,0]=3 1282 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,1,1,0,0,0|1,0,0]=3 1283 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,1,1,0,0,0|1,0,0]=3 1284 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,1,1,0,0,0|1,0,0]=3 1285 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,1,1,0,0,0|2,0,0]=4 1286 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,1,1,0,0,0|2,0,0]=4 1287 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,1,1,0,0,0|2,0,0]=4 1288 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,1,1,0,0,0|2,0,0]=4 1289 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,1,1,0,0,0|0,0,2]=4 1290 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,1,1,0,0,0|2,0,0]=4 1291 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,1,1,0,0,0|2,0,0]=4 1292 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,1,1,0,0,0|2,0,0]=4 1293 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,1,1,0,0,0|2,0,0]=4 1294 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,1,1,0,0,0|2,0,0]=4 1295 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,1,1,0,0,0|2,0,0]=4 1296 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,1,1,0,0,0|2,0,0]=4 1297 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,1,1,0,0,0|2,0,0]=4 1298 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,1,1,0,0,0|2,0,0]=4 1299 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,1,1,0,0,0|2,0,0]=4 1300 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,1,1,0,0,0|2,0,0]=4 1301 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,1,1,0,0,0|2,0,0]=4 1302 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,1,1,0,0,0|2,0,0]=4 1303 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,1,1,0,0,0|2,0,0]=4 1304 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,1,1,0,0,0|2,0,0]=4 1305 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [0,1,1,0,0,0|1,0,0]=3 1306 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,1,1,0,0,0|1,0,0]=3 1307 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,1,1,0,0,0|1,0,0]=3 1308 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [0,1,1,0,0,0|1,0,0]=3 1309 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [0,1,1,0,0,0|1,0,0]=3 1310 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [0,1,1,0,0,0|1,0,0]=3 1311 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [0,1,1,0,0,0|1,0,0]=3 1312 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,1,1,0,0,0|0,1,1]=4 1313 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,1,1,0,0,0|0,1,1]=4 1314 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [0,1,1,0,0,0|1,0,1]=4 1315 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [0,1,1,0,0,0|1,0,1]=4 1316 B7R0.4 CC(O)CNCC#N 2230a_100000210904_100011215382 [0,1,1,0,0,0|1,0,1]=4 1317 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [0,1,1,0,0,0|0,0,0]=2 1318 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [0,1,1,0,0,0|0,0,0]=2 1319 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [0,1,1,0,0,0|1,0,1]=4 1320 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [0,1,1,0,0,0|1,0,1]=4 1321 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [0,1,1,0,0,0|1,0,1]=4 1322 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [0,1,1,0,0,0|0,0,2]=4 1323 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [0,1,1,0,0,0|0,0,2]=4 1324 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [0,1,1,0,0,0|0,0,2]=4 1325 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [0,1,1,0,0,0|0,0,2]=4 1326 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [0,1,1,0,0,0|1,0,1]=4 1327 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [0,1,1,0,0,0|1,0,1]=4 1328 B7R0.4 CC(O)CSCC#N 62a_100011215382_100011218427 [0,1,1,0,0,0|1,0,1]=4 1329 B7R0.4 CC(O)CSCC#N 62a_100011218427_100011215382 [0,1,1,0,0,0|1,0,1]=4 1330 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [0,1,1,0,0,0|0,0,0]=2 1331 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [0,1,1,0,0,0|0,0,0]=2 1332 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [0,1,1,0,0,0|1,0,1]=4 1333 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [0,1,1,0,0,0|1,0,1]=4 1334 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [0,1,1,0,0,0|0,0,2]=4 1335 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [0,1,1,0,0,0|0,0,2]=4 1336 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,1,1,0,0,0|1,0,1]=4 1337 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,1,1,0,0,0|1,0,1]=4 1338 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,1,1,0,0,0|1,0,1]=4 1339 B7R0.4 CC=NNCC(C)O 4a_200000730056_200000210099 [0,1,1,0,0,0|2,0,0]=4 1340 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [0,1,1,0,0,0|1,0,1]=4 1341 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [0,1,1,0,0,0|1,0,1]=4 1342 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [0,1,1,0,0,0|1,0,1]=4 1343 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,1,1,0,0,0|1,0,1]=4 1344 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,1,1,0,0,0|1,0,1]=4 1345 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,1,1,0,0,0|1,0,0]=3 1346 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,1,1,0,0,0|1,0,0]=3 1347 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,1,1,0,0,0|1,0,0]=3 1348 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,1,1,0,0,0|1,0,0]=3 1349 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,1,1,0,0,0|1,0,0]=3 1350 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,1,1,0,0,0|1,0,0]=3 1351 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,1,1,0,0,0|1,0,0]=3 1352 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,1,1,0,0,0|1,0,0]=3 1353 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,1,1,0,0,0|0,0,0]=2 1354 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,1,1,0,0,0|1,0,1]=4 1355 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,1,1,0,0,0|1,0,1]=4 1356 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,1,1,0,0,0|2,0,0]=4 1357 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,1,1,0,0,0|1,0,0]=3 1358 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,1,1,0,0,0|1,0,0]=3 1359 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,1,1,0,0,0|1,0,0]=3 1360 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,1,1,0,0,0|1,0,0]=3 1361 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,1,1,0,0,0|0,0,1]=3 1362 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [0,1,1,0,0,0|1,0,1]=4 1363 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [0,1,1,0,0,0|1,0,1]=4 1364 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [0,1,1,0,0,0|1,0,1]=4 1365 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,1,1,0,0,0|1,0,0]=3 1366 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,1,1,0,0,0|1,0,0]=3 1367 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,1,1,0,0,0|1,0,0]=3 1368 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,1,1,0,0,0|1,0,0]=3 1369 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,1,1,0,0,0|0,0,1]=3 1370 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,1,1,0,0,0|0,0,1]=3 1371 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [0,1,1,0,0,0|1,0,1]=4 1372 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [0,1,1,0,0,0|1,0,1]=4 1373 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [0,1,1,0,0,0|1,0,1]=4 1374 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [0,1,1,0,0,0|1,0,1]=4 1375 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [0,1,1,0,0,0|1,0,1]=4 1376 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,1,1,0,0,0|1,0,0]=3 1377 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [0,1,1,0,0,0|1,0,1]=4 1378 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [0,1,1,0,0,0|1,0,1]=4 1379 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,1,1,0,0,0|1,0,0]=3 1380 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,1,1,0,0,0|1,0,0]=3 1381 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,1,1,0,0,0|1,0,0]=3 1382 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,1,1,0,0,0|1,0,0]=3 1383 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,1,1,0,0,0|1,0,0]=3 1384 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,1,1,0,0,0|1,0,0]=3 1385 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,1,1,0,0,0|1,0,0]=3 1386 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,1,1,0,0,0|1,0,0]=3 1387 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,1,1,0,0,0|1,0,0]=3 1388 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,1,1,0,0,0|1,0,1]=4 1389 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [0,1,1,0,0,0|2,0,0]=4 1390 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,1,1,0,0,0|1,0,0]=3 1391 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,1,1,0,0,0|1,0,0]=3 1392 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,1,1,0,0,0|1,0,0]=3 1393 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,1,1,0,0,0|1,0,0]=3 1394 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,1,1,0,0,0|1,0,0]=3 1395 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,1,1,0,0,0|1,0,0]=3 1396 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,1,1,0,0,0|1,0,0]=3 1397 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [0,1,1,0,0,0|1,0,1]=4 1398 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [0,1,1,0,0,0|1,0,1]=4 1399 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,1,1,0,0,0|2,0,0]=4 1400 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,1,1,0,0,0|2,0,0]=4 1401 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [0,1,1,0,0,0|2,0,0]=4 1402 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [0,1,1,0,0,0|2,0,0]=4 1403 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,1,1,0,0,0|1,0,0]=3 1404 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,1,1,0,0,0|1,0,0]=3 1405 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,1,1,0,0,0|1,0,0]=3 1406 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,1,1,0,0,0|1,0,0]=3 1407 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,1,1,0,0,0|1,0,0]=3 1408 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,1,1,0,0,0|1,0,1]=4 1409 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,1,1,0,0,0|1,0,1]=4 1410 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,1,1,0,0,0|1,0,1]=4 1411 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [0,1,1,0,0,0|2,0,0]=4 1412 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,1,1,0,0,0|2,0,0]=4 1413 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,1,1,0,0,0|2,0,0]=4 1414 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,1,1,0,0,0|2,0,0]=4 1415 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [0,1,1,0,0,0|2,0,0]=4 1416 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [0,1,1,0,0,0|2,0,0]=4 1417 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [0,1,1,0,0,0|2,0,0]=4 1418 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [0,1,1,0,0,0|2,0,0]=4 1419 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [0,1,1,0,0,0|2,0,0]=4 1420 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,1,1,0,0,0|2,0,0]=4 1421 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,1,1,0,0,0|2,0,0]=4 1422 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,1,1,0,0,0|1,0,0]=3 1423 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,1,1,0,0,0|1,0,0]=3 1424 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,1,1,0,0,0|1,0,0]=3 1425 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,1,1,0,0,0|1,0,0]=3 1426 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,1,1,0,0,0|1,0,0]=3 1427 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,1,1,0,0,0|1,0,0]=3 1428 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,1,1,0,0,0|1,0,0]=3 1429 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,1,1,0,0,0|0,0,2]=4 1430 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [0,1,1,0,0,0|1,0,1]=4 1431 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,1,1,0,0,0|2,0,0]=4 1432 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,1,1,0,0,0|2,0,0]=4 1433 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,1,1,0,0,0|2,0,0]=4 1434 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,1,1,0,0,0|2,0,0]=4 1435 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,1,1,0,0,0|2,0,0]=4 1436 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,1,1,0,0,0|2,0,0]=4 1437 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,1,1,0,0,0|2,0,0]=4 1438 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,1,1,0,0,0|2,0,0]=4 1439 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,1,1,0,0,0|2,0,0]=4 1440 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,1,1,0,0,0|1,0,0]=3 1441 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [0,1,1,0,0,0|2,0,0]=4 1442 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,1,1,0,0,0|2,0,0]=4 1443 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,1,1,0,0,0|2,0,0]=4 1444 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,1,1,0,0,0|1,0,1]=4 1445 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,1,1,0,0,0|1,0,1]=4 1446 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [0,1,1,0,0,0|2,0,0]=4 1447 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [0,1,1,0,0,0|2,0,0]=4 1448 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [0,1,1,0,0,0|2,0,0]=4 1449 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [0,1,1,0,0,0|2,0,0]=4 1450 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [0,1,1,0,0,0|2,0,0]=4 1451 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,1,1,0,0,0|1,0,0]=3 1452 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,1,1,0,0,0|1,0,0]=3 1453 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,1,1,0,0,0|1,0,0]=3 1454 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,1,1,0,0,0|1,0,0]=3 1455 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,1,1,0,0,0|1,0,0]=3 1456 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,1,1,0,0,0|1,0,0]=3 1457 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,1,1,0,0,0|0,1,1]=4 1458 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,1,1,0,0,0|0,1,1]=4 1459 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,1,1,0,0,0|2,0,0]=4 1460 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,1,1,0,0,0|2,0,0]=4 1461 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,1,1,0,0,0|2,0,0]=4 1462 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,1,1,0,0,0|2,0,0]=4 1463 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,1,1,0,0,0|2,0,0]=4 1464 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,1,1,0,0,0|2,0,0]=4 1465 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [0,1,1,0,0,0|2,0,0]=4 1466 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [0,1,1,0,0,0|2,0,0]=4 1467 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,1,1,0,0,0|2,0,0]=4 1468 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,1,1,0,0,0|2,0,0]=4 1469 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,1,1,0,0,0|2,0,0]=4 1470 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,1,1,0,0,0|2,0,0]=4 1471 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,1,1,0,0,0|2,0,0]=4 1472 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,1,1,0,0,0|1,0,0]=3 1473 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [0,1,1,0,0,0|2,0,0]=4 1474 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [0,1,1,0,0,0|2,0,0]=4 1475 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,1,1,0,0,0|2,0,0]=4 1476 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,1,1,0,0,0|2,0,0]=4 1477 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,1,1,0,0,0|2,0,0]=4 1478 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,1,1,0,0,0|1,0,1]=4 1479 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,1,1,0,0,0|1,0,1]=4 1480 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [0,1,1,0,0,0|2,0,0]=4 1481 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [0,1,1,0,0,0|2,0,0]=4 1482 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [0,1,1,0,0,0|2,0,0]=4 1483 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [0,1,1,0,0,0|2,0,0]=4 1484 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [0,1,1,0,0,0|1,0,0]=3 1485 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [0,1,1,0,0,0|1,0,0]=3 1486 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [0,1,1,0,0,0|1,0,1]=4 1487 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [0,1,1,0,0,0|0,0,2]=4 1488 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [0,1,1,0,0,0|0,0,2]=4 1489 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [0,1,1,0,0,0|1,0,1]=4 1490 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [0,1,1,0,0,0|1,0,1]=4 1491 B7R0.4 C[C@@H](O)CSCC#N 62a_100009817552_100011215382 [0,1,1,0,0,0|1,0,1]=4 1492 B7R0.4 C[C@@H](O)CSCC#N 62a_100011215382_100009817552 [0,1,1,0,0,0|1,0,1]=4 1493 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [0,1,1,0,0,0|0,0,0]=2 1494 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [0,1,1,0,0,0|0,0,0]=2 1495 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [0,1,1,0,0,0|1,0,1]=4 1496 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [0,1,1,0,0,0|1,0,1]=4 1497 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [0,1,1,0,0,0|0,0,2]=4 1498 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [0,1,1,0,0,0|0,0,2]=4 1499 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [0,1,1,0,0,0|1,0,1]=4 1500 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,1,1,0,0,0|2,0,0]=4 1501 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,1,1,0,0,0|2,0,0]=4 1502 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,1,1,0,0,0|2,0,0]=4 1503 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,1,1,0,0,0|2,0,0]=4 1504 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,1,1,0,0,0|2,0,0]=4 1505 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,1,1,0,0,0|2,0,0]=4 1506 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,1,1,0,0,0|2,0,0]=4 1507 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,1,1,0,0,0|2,0,0]=4 1508 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,1,1,0,0,0|2,0,0]=4 1509 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,1,1,0,0,0|2,0,0]=4 1510 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,1,1,0,0,0|2,0,0]=4 1511 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,1,1,0,0,0|2,0,0]=4 1512 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,1,1,0,0,0|2,0,0]=4 1513 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,1,1,0,0,0|2,0,0]=4 1514 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,1,1,0,0,0|2,0,0]=4 1515 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [0,1,1,0,0,0|1,0,1]=4 1516 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,1,1,0,0,0|1,0,0]=3 1517 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,1,1,0,0,0|1,0,0]=3 1518 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [0,1,1,0,0,0|2,0,0]=4 1519 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,1,1,0,0,0|1,0,1]=4 1520 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,1,1,0,0,0|1,0,1]=4 1521 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [0,1,1,0,0,0|1,0,1]=4 1522 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [0,1,1,0,0,0|1,0,1]=4 1523 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [0,1,1,0,0,0|1,0,1]=4 1524 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,1,1,0,0,0|1,0,1]=4 1525 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,1,1,0,0,0|1,0,1]=4 1526 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,1,1,0,0,0|1,0,1]=4 1527 B7R0.4 O=CCNCC(F)F 34a_100000765723_200009817547 [0,1,1,0,0,0|2,0,0]=4 1528 B7R0.4 O=CCOCC(F)F 34a_100000743014_200009817547 [0,1,1,0,0,0|2,0,0]=4 1529 B7R0.4 O=CCSCC(F)F 62a_100011934356_200015260668 [0,1,1,0,0,0|2,0,0]=4 1530 B7R0.4 O=CCSCC(F)F 62a_200015260668_100011934356 [0,1,1,0,0,0|2,0,0]=4 1531 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [0,1,1,0,0,0|1,0,1]=4 1532 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,1,1,0,0,0|1,0,0]=3 1533 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,1,1,0,0,0|2,0,0]=4 1534 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,1,1,0,0,0|1,0,0]=3 1535 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [0,1,1,0,0,0|2,0,0]=4 1536 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [0,1,1,0,0,0|1,0,1]=4 1537 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,1,1,0,0,0|2,0,0]=4 1538 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,1,1,0,0,0|2,0,0]=4 1539 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,1,1,0,0,0|1,0,0]=3 1540 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,1,1,0,0,0|1,0,0]=3 1541 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [0,1,1,0,0,0|2,0,0]=4 1542 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [0,1,1,0,0,0|2,0,0]=4 1543 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,1,1,0,0,0|2,0,0]=4 1544 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,1,1,0,0,0|2,0,0]=4 1545 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,1,1,0,0,0|1,0,1]=4 1546 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,1,1,0,0,0|1,0,1]=4 1547 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,1,1,0,0,0|1,0,1]=4 1548 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,1,1,0,0,0|0,0,2]=4 1549 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,1,1,0,0,0|1,0,0]=3 1550 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,1,1,0,0,0|1,0,0]=3 1551 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,1,1,0,0,0|0,0,0]=2 1552 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,1,1,0,0,0|2,0,0]=4 1553 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,1,1,0,0,0|2,0,0]=4 1554 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,1,1,0,0,0|2,0,0]=4 1555 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,1,1,0,0,0|2,0,0]=4 1556 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,1,1,0,0,0|2,0,0]=4 1557 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,1,1,0,0,0|2,0,0]=4 1558 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,1,1,0,0,0|2,0,0]=4 1559 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,1,1,0,0,0|2,0,0]=4 1560 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,1,1,0,0,0|2,0,0]=4 1561 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,1,1,0,0,0|1,0,0]=3 1562 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,1,1,0,0,0|1,0,0]=3 1563 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,1,1,0,0,0|1,0,0]=3 1564 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,1,1,0,0,0|1,0,0]=3 1565 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,1,1,0,0,0|2,0,0]=4 1566 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,1,1,0,0,0|2,0,0]=4 1567 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,1,1,0,0,0|2,0,0]=4 1568 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,1,1,0,0,0|1,0,0]=3 1569 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,1,1,0,0,0|1,0,1]=4 1570 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,1,1,0,0,0|2,0,0]=4 1571 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,1,1,0,0,0|2,0,0]=4 1572 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,1,1,0,0,0|1,0,1]=4 1573 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,1,1,0,0,0|2,0,0]=4 1574 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,1,1,0,0,0|2,0,0]=4 1575 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,1,1,0,0,0|2,0,0]=4 1576 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,1,1,0,0,0|1,0,1]=4 1577 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,1,1,0,0,0|1,0,1]=4 1578 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [0,1,1,0,0,0|2,0,0]=4 1579 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [0,1,1,0,0,0|2,0,0]=4 1580 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,1,1,0,0,0|2,0,0]=4 1581 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,1,1,0,0,0|2,0,0]=4 1582 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,1,1,0,0,0|2,0,0]=4 1583 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,1,1,0,0,0|2,0,0]=4 1584 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,1,1,0,0,0|2,0,0]=4 1585 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,1,1,0,0,0|0,0,2]=4 1586 B7R0.8 CC(C)(C)NCC=O 2230a_100000715429_200015260668 [0,1,1,0,0,0|2,0,0]=4 1587 B7R0.8 CC(C)(C)OCC=O 34a_100015890283_200009817547 [0,1,1,0,0,0|2,0,0]=4 1588 B7R0.8 CC(C)(C)OCC=O 7a_100015890283_200015260668 [0,1,1,0,0,0|2,0,0]=4 1589 B7R0.8 CC(C)(C)SCC=O 62a_100000211941_200015260668 [0,1,1,0,0,0|2,0,0]=4 1590 B7R0.8 CC(C)(C)SCC=O 62a_200015260668_100000211941 [0,1,1,0,0,0|2,0,0]=4 1591 B7R0.8 CC(C)(O)CCS[13CH3] 62a_100000702414_200025704644 [0,1,1,0,0,0|2,0,0]=4 1592 B7R0.8 CC(C)(O)CCS[13CH3] 62a_200025704644_100000702414 [0,1,1,0,0,0|2,0,0]=4 1593 B7R0.8 CNCCC(C)(C)O 2230a_106832991635_100000702414 [0,1,1,0,0,0|2,0,0]=4 1594 B7R0.8 CNCCC(C)(C)O 34a_100102657272_100000702414 [0,1,1,0,0,0|2,0,0]=4 1595 B7R0.8 CNCCC(C)(C)O 7a_106832991635_100000702414 [0,1,1,0,0,0|2,0,0]=4 1596 B7R0.8 COCCC(C)(C)O 34a_100138415774_100000702414 [0,1,1,0,0,0|2,0,0]=4 1597 B7R0.8 CSCCC(C)(C)O 62a_100000702414_200000210301 [0,1,1,0,0,0|2,0,0]=4 1598 B7R0.8 CSCCC(C)(C)O 62a_200000210301_100000702414 [0,1,1,0,0,0|2,0,0]=4 1599 B7R1.1 CNC1CC=CC1 2230a_100015188752_200000210301 [1,1,0,0,0,0|1,0,1]=4 1600 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [1,1,0,0,0,0|1,0,1]=4 1601 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [1,1,0,0,0,0|1,0,1]=4 1602 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [1,1,0,0,0,0|1,0,1]=4 1603 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [1,1,0,0,0,0|1,0,1]=4 1604 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [1,1,0,0,0,0|1,0,1]=4 1605 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [1,1,0,0,0,0|1,0,1]=4 1606 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [1,1,0,0,0,0|2,0,0]=4 1607 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [1,1,0,0,0,0|2,0,0]=4 1608 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [1,1,0,0,0,0|2,0,0]=4 1609 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [1,1,0,0,0,0|2,0,0]=4 1610 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [1,1,0,0,0,0|2,0,0]=4 1611 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [1,1,0,0,0,0|2,0,0]=4 1612 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [1,1,0,0,0,0|2,0,0]=4 1613 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [1,1,0,0,0,0|2,0,0]=4 1614 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [1,1,0,0,0,0|1,0,1]=4 1615 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [1,1,0,0,0,0|1,0,1]=4 1616 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [1,1,0,0,0,0|1,0,1]=4 1617 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [1,1,0,0,0,0|0,0,1]=3 1618 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [1,1,0,0,0,0|2,0,0]=4 1619 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [1,1,0,0,0,0|2,0,0]=4 1620 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [1,1,0,0,0,0|2,0,0]=4 1621 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [1,1,0,0,0,0|1,0,1]=4 1622 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [1,1,0,0,0,0|1,0,1]=4 1623 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [1,1,0,0,0,0|2,0,0]=4 1624 B7R1.1 [13CH3]NC1CC=CC1 2230a_100015188752_200025704644 [1,1,0,0,0,0|1,0,1]=4 1625 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [1,1,0,0,0,0|1,0,1]=4 1626 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [1,1,0,0,0,0|1,0,1]=4 1627 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [1,1,0,0,0,0|2,0,0]=4 1628 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [1,1,0,0,0,0|2,0,0]=4 1629 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [1,1,0,0,0,0|2,0,0]=4 1630 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [1,1,0,0,0,0|1,0,1]=4 1631 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [1,1,0,0,0,0|1,0,1]=4 1632 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [1,1,0,0,0,0|0,0,1]=3 1633 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [1,1,0,0,0,0|2,0,0]=4 1634 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [1,1,0,0,0,0|2,0,0]=4 1635 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [1,1,0,0,0,0|1,0,1]=4 1636 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [1,1,0,0,0,0|1,0,1]=4 1637 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [1,1,0,0,0,0|2,0,0]=4 1638 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [1,1,0,0,0,0|1,0,1]=4 1639 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [1,1,0,0,0,0|1,0,1]=4 1640 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [1,1,0,0,0,0|1,0,1]=4 1641 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [1,1,0,0,0,0|1,0,1]=4 1642 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [1,1,0,0,0,0|1,0,1]=4 1643 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [1,1,0,0,0,0|1,0,1]=4 1644 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [1,1,0,0,0,0|1,0,1]=4 1645 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [1,1,0,0,0,0|1,0,1]=4 1646 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [1,1,0,0,0,0|1,0,1]=4 1647 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [1,1,0,0,0,0|1,0,1]=4 1648 B7R1.8 CC1CCN1CF 269982a_100000755817_100015361967 [0,1,0,0,1,0|2,0,0]=4 1649 B7R1.8 CC1CCN1CF 34a_100000755817_100015361967 [0,1,0,0,1,0|2,0,0]=4 1650 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [0,1,0,0,1,0|2,0,0]=4 1651 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [0,1,0,0,1,0|2,0,0]=4 1652 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,1,0,0,1,0|0,0,0]=2 1653 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,1,0,0,1,0|0,0,0]=2 1654 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,1,0,0,1,0|0,0,0]=2 1655 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,1,0,0,1,0|0,0,0]=2 1656 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,1,0,0,1,0|0,0,0]=2 1657 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,1,0,0,1,0|0,0,0]=2 1658 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,1,0,0,1,0|0,0,0]=2 1659 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,1,0,0,1,0|2,0,0]=4 1660 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,1,0,0,1,0|2,0,0]=4 1661 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,1,0,0,1,0|2,0,0]=4 1662 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,1,0,0,1,0|2,0,0]=4 1663 B7R1.10 C=C1CC(C1)NC 2230a_100132301982_200000210301 [0,1,0,0,1,0|2,0,0]=4 1664 B7R1.10 C=C1CC(C1)N[13CH3] 2230a_100132301982_200025704644 [0,1,0,0,1,0|2,0,0]=4 1665 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [0,1,0,0,1,0|1,0,0]=3 1666 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [0,1,0,0,1,0|1,0,0]=3 1667 B9R1.1 C=C1CCC(CC1)NC 270004a_106832991635_100010272673 [0,1,0,0,0,1|2,0,0]=4 1668 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [0,1,0,0,0,1|1,0,0]=3 1669 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [0,1,0,0,0,1|1,0,0]=3 1670 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,1,0,0,0,1|1,0,0]=3 1671 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,1,0,0,0,1|1,0,0]=3 1672 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,1,0,0,0,1|1,0,0]=3 1673 B9R1.1 COC1CNC(=O)NC1 34a_100000080929_200000210301 [0,1,0,0,0,1|2,0,0]=4 1674 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [0,1,0,0,0,1|1,0,0]=3 1675 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [0,1,0,0,0,1|1,0,0]=3 1676 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,1,0,0,0,1|1,0,0]=3 1677 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,1,0,0,0,1|1,0,0]=3 1678 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,1,0,0,0,1|1,0,0]=3 1679 B9R1.1 [13CH3]OC1CNC(=O)NC1 34a_100000080929_200025704644 [0,1,0,0,0,1|2,0,0]=4 1680 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [0,1,0,0,0,1|2,0,0]=4 1681 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,1,0,0,0,1|2,0,0]=4 1682 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,1,0,0,0,1|2,0,0]=4 1683 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,1,0,0,0,1|1,0,0]=3 1684 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,1,0,0,0,1|1,0,0]=3 1685 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [0,1,0,0,0,1|2,0,0]=4 1686 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,1,0,0,0,1|1,0,0]=3 1687 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,1,0,0,0,1|1,0,0]=3 1688 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,1,0,0,0,1|1,0,0]=3 1689 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,1,0,0,0,1|1,0,0]=3 1690 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,1,0,0,0,1|1,0,0]=3 1691 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,1,0,0,0,1|1,0,0]=3 1692 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,1,0,0,0,1|2,0,0]=4 1693 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,1,0,0,0,1|2,0,0]=4 1694 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,1,0,0,0,1|2,0,0]=4 1695 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,1,0,0,0,1|2,0,0]=4 1696 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,1,0,0,0,1|2,0,0]=4 1697 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,1,0,0,0,1|2,0,0]=4 1698 B9R1.34 CC1CN(CC(O1)C)C 2230a_100000210032_200000210301 [0,1,0,0,0,1|1,0,1]=4 1699 B9R1.34 CC1CN(CC(O1)C)C 269982a_100000210032_200000210301 [0,1,0,0,0,1|1,0,1]=4 1700 B9R1.34 CC1CN(CC(O1)C)C 34a_100000210032_200000210301 [0,1,0,0,0,1|1,0,1]=4 1701 B9R1.34 CC1CN(CC(O1)C)[13CH3] 2230a_100000210032_200025704644 [0,1,0,0,0,1|1,0,1]=4 1702 B9R1.34 CC1CN(CC(O1)C)[13CH3] 269982a_100000210032_200025704644 [0,1,0,0,0,1|1,0,1]=4 1703 B9R1.34 CC1CN(CC(O1)C)[13CH3] 34a_100000210032_200025704644 [0,1,0,0,0,1|1,0,1]=4 1704 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [0,2,0,0,0,0|2,0,0]=4 1705 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,2,0,0,0,0|1,0,0]=3 1706 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [0,2,0,0,0,0|2,0,0]=4 1707 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,2,0,0,0,0|1,0,0]=3 1708 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,2,0,0,0,0|1,0,0]=3 1709 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [0,2,0,0,0,0|2,0,0]=4 1710 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [0,2,0,0,0,0|2,0,0]=4 1711 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [0,2,0,0,0,0|1,0,0]=3 1712 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [0,2,0,0,0,0|1,0,0]=3 1713 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [0,2,0,0,0,0|1,0,0]=3 1714 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,2,0,0,0,0|1,0,0]=3 1715 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [0,2,0,0,0,0|1,0,0]=3 1716 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [0,2,0,0,0,0|1,0,0]=3 1717 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [0,2,0,0,0,0|1,0,0]=3 1718 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [0,2,0,0,0,0|1,0,0]=3 1719 B9R1.7 CNC[C@H]1COC(=O)N1 2230a_106832991635_100015307671 [0,2,0,0,0,0|2,0,0]=4 1720 B9R1.7 CNC[C@H]1COC(=O)N1 34a_100102657272_100015307671 [0,2,0,0,0,0|2,0,0]=4 1721 B9R1.7 CNC[C@H]1COC(=O)N1 7a_106832991635_100015307671 [0,2,0,0,0,0|2,0,0]=4 1722 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,2,0,0,0,0|1,0,0]=3 1723 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [0,2,0,0,0,0|2,0,0]=4 1724 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,2,0,0,0,0|1,0,0]=3 1725 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,2,0,0,0,0|1,0,0]=3 1726 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,2,0,0,0,0|1,0,0]=3 1727 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [0,2,0,0,0,0|2,0,0]=4 1728 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,2,0,0,0,0|1,0,0]=3 1729 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,2,0,0,0,0|1,0,0]=3 1730 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,2,0,0,0,0|1,0,0]=3 1731 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,2,0,0,0,0|1,0,0]=3 1732 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [0,2,0,0,0,0|1,0,0]=3 1733 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [0,2,0,0,0,0|1,0,0]=3 1734 B9R1.7 CSC[C@H]1COC(=O)N1 62a_100015307671_200000210301 [0,2,0,0,0,0|2,0,0]=4 1735 B9R1.7 CSC[C@H]1COC(=O)N1 62a_200000210301_100015307671 [0,2,0,0,0,0|2,0,0]=4 1736 B9R1.7 C[C@@H]1CCN(C1)CC=O 2230a_100016987628_200015260668 [0,2,0,0,0,0|2,0,0]=4 1737 B9R1.7 C[C@@H]1CCN(C1)CC=O 269982a_100016987628_200015260668 [0,2,0,0,0,0|2,0,0]=4 1738 B9R1.7 C[C@@H]1CCN(C1)CC=O 34a_100016987628_200009817547 [0,2,0,0,0,0|2,0,0]=4 1739 B9R1.7 O=C1CC(CN1)OCF 34a_100000690082_100015361967 [0,2,0,0,0,0|2,0,0]=4 1740 B9R1.7 O=C1CCC(C1)OCF 34a_100012614533_100015361967 [0,2,0,0,0,0|1,0,0]=3 1741 B9R1.7 O=C1OCC(O1)SCF 62a_100015361967_100000032252 [0,2,0,0,0,0|1,0,0]=3 1742 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [0,2,0,0,0,0|2,0,0]=4 1743 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [0,2,0,0,0,0|2,0,0]=4 1744 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [0,2,0,0,0,0|1,0,0]=3 1745 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [0,2,0,0,0,0|1,0,0]=3 1746 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,2,0,0,0,0|1,0,0]=3 1747 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [0,2,0,0,0,0|2,0,0]=4 1748 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,2,0,0,0,0|1,0,0]=3 1749 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,2,0,0,0,0|1,0,0]=3 1750 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,2,0,0,0,0|1,0,0]=3 1751 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,2,0,0,0,0|1,0,0]=3 1752 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,2,0,0,0,0|1,0,0]=3 1753 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [0,2,0,0,0,0|1,0,0]=3 1754 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [0,2,0,0,0,0|1,0,0]=3 1755 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_100015307671_200025704644 [0,2,0,0,0,0|2,0,0]=4 1756 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_200025704644_100015307671 [0,2,0,0,0,0|2,0,0]=4 1757 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [0,2,0,0,0,0|0,0,0]=2 1758 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [0,2,0,0,0,0|0,0,0]=2 1759 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [0,2,0,0,0,0|0,0,0]=2 1760 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [0,2,0,0,0,0|0,0,0]=2 1761 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [0,2,0,0,0,0|0,0,0]=2 1762 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [0,2,0,0,0,0|0,0,0]=2 1763 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [0,2,0,0,0,0|0,0,0]=2 1764 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [0,2,0,0,0,0|0,0,0]=2 1765 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200009893386_200025704644 [0,2,0,0,0,0|0,0,2]=4 1766 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200025704644_200009893386 [0,2,0,0,0,0|0,0,2]=4 1767 B9R1.23 CN1CC(CC1=O)N[13CH3] 2230a_100000748898_200025704644 [0,2,0,0,0,0|2,0,0]=4 1768 B9R1.23 CN1CC(CC1=O)N[13CH3] 34a_100000748898_200025704644 [0,2,0,0,0,0|2,0,0]=4 1769 B9R1.23 CNC1C=C(C(=O)O1)C 2230a_106832991635_200009893386 [0,2,0,0,0,0|0,0,2]=4 1770 B9R1.23 CNC1CC(=O)N(C1)C 2230a_100000748898_200000210301 [0,2,0,0,0,0|2,0,0]=4 1771 B9R1.23 CNC1CC(=O)N(C1)C 34a_100000748898_200000210301 [0,2,0,0,0,0|2,0,0]=4 1772 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200000210301_200009893386 [0,2,0,0,0,0|0,0,2]=4 1773 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200009893386_200000210301 [0,2,0,0,0,0|0,0,2]=4 1774 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,2,0,0,0,0|1,0,0]=3 1775 B9R1.35 CC(=O)C1CNC(=O)C1 1458a_100000747279_200000210301 [0,2,0,0,0,0|2,0,0]=4 1776 B9R1.35 CC(=O)C1CNC(=O)N1 1458a_100000033324_200000210301 [0,2,0,0,0,0|2,0,0]=4 1777 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,2,0,0,0,0|2,0,0]=4 1778 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,2,0,0,0,0|2,0,0]=4 1779 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,2,0,0,0,0|2,0,0]=4 1780 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,2,0,0,0,0|0,0,0]=2 1781 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200000210301 [0,2,0,0,0,0|2,0,0]=4 1782 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,2,0,0,0,0|1,0,0]=3 1783 B9R1.35 [13CH3]C(=O)C1CNC(=O)C1 1458a_100000747279_200025704644 [0,2,0,0,0,0|2,0,0]=4 1784 B9R1.35 [13CH3]C(=O)C1CNC(=O)N1 1458a_100000033324_200025704644 [0,2,0,0,0,0|2,0,0]=4 1785 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,2,0,0,0,0|0,0,0]=2 1786 B9R1.35 [13CH3]C(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200025704644 [0,2,0,0,0,0|2,0,0]=4 1787 B9R1.133 CNC1CCS(=O)(=O)C1 2230a_100000683523_200000210301 [0,2,0,0,0,0|2,0,0]=4 1788 B9R1.133 CNC1CCS(=O)(=O)C1 34a_100000683523_200000210301 [0,2,0,0,0,0|2,0,0]=4 1789 B9R1.133 COC1CCS(=O)(=O)C1 34a_100000186101_200000210301 [0,2,0,0,0,0|2,0,0]=4 1790 B9R1.133 COC1CCS(=O)(=O)C1 7a_100000186101_200000210301 [0,2,0,0,0,0|2,0,0]=4 1791 B9R1.133 [13CH3]NC1CCS(=O)(=O)C1 2230a_100000683523_200025704644 [0,2,0,0,0,0|2,0,0]=4 1792 B9R1.133 [13CH3]NC1CCS(=O)(=O)C1 34a_100000683523_200025704644 [0,2,0,0,0,0|2,0,0]=4 1793 B9R1.133 [13CH3]OC1CCS(=O)(=O)C1 34a_100000186101_200025704644 [0,2,0,0,0,0|2,0,0]=4 1794 B9R1.133 [13CH3]OC1CCS(=O)(=O)C1 7a_100000186101_200025704644 [0,2,0,0,0,0|2,0,0]=4 1795 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [0,0,1,1,0,0|1,0,1]=4 1796 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [0,0,1,1,0,0|1,0,1]=4 1797 B7R1.6 FCOC1CCC1 34a_100000748187_100015361967 [0,0,1,1,0,0|1,0,1]=4 1798 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [0,0,1,1,0,0|2,0,0]=4 1799 B7R1.21 CC1(CC1)OCF 7a_100011725673_100015361967 [0,0,1,1,0,0|1,0,1]=4 1800 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [0,0,1,1,0,0|1,0,1]=4 1801 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,0,1,1,0,0|1,0,0]=3 1802 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,0,1,1,0,0|2,0,0]=4 1803 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [0,0,1,1,0,0|2,0,0]=4 1804 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [0,0,1,1,0,0|2,0,0]=4 1805 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [0,0,1,1,0,0|2,0,0]=4 1806 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [0,0,1,1,0,0|2,0,0]=4 1807 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [0,0,1,1,0,0|2,0,0]=4 1808 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,0,1,1,0,0|1,0,0]=3 1809 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [0,0,1,1,0,0|2,0,0]=4 1810 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,0,1,1,0,0|1,0,0]=3 1811 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [0,0,1,1,0,0|2,0,0]=4 1812 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,0,1,1,0,0|1,0,0]=3 1813 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,0,1,1,0,0|1,0,0]=3 1814 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [0,0,1,1,0,0|2,0,0]=4 1815 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [0,0,1,1,0,0|2,0,0]=4 1816 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [0,0,1,1,0,0|2,0,0]=4 1817 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [0,0,1,1,0,0|1,0,0]=3 1818 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [0,0,1,1,0,0|1,0,0]=3 1819 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [0,0,1,1,0,0|1,0,0]=3 1820 B7R1.20 CC(C)OC1CC1 34a_100000212225_100000211595 [0,0,1,1,0,0|1,0,1]=4 1821 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,0,1,1,0,0|1,0,0]=3 1822 B7R1.7 CNCCC1CO1 2230a_106832991635_100000732470 [0,0,1,1,0,0|2,0,0]=4 1823 B7R1.7 CNCCC1CO1 34a_100102657272_100000732470 [0,0,1,1,0,0|2,0,0]=4 1824 B7R1.7 CNCCC1CO1 7a_106832991635_100000732470 [0,0,1,1,0,0|2,0,0]=4 1825 B7R1.7 COCCC1CO1 34a_100138415774_100000732470 [0,0,1,1,0,0|2,0,0]=4 1826 B7R1.7 COCC[C@@H]1CO1 34a_100009820653_200000210301 [0,0,1,1,0,0|2,0,0]=4 1827 B7R1.7 CSCCC1CO1 62a_100000732470_200000210301 [0,0,1,1,0,0|2,0,0]=4 1828 B7R1.7 CSCCC1CO1 62a_200000210301_100000732470 [0,0,1,1,0,0|2,0,0]=4 1829 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [0,0,1,1,0,0|2,0,0]=4 1830 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [0,0,1,1,0,0|2,0,0]=4 1831 B7R1.7 [13CH3]OCC[C@@H]1CO1 34a_100009820653_200025704644 [0,0,1,1,0,0|2,0,0]=4 1832 B7R1.7 [13CH3]SCCC1CO1 62a_100000732470_200025704644 [0,0,1,1,0,0|2,0,0]=4 1833 B7R1.7 [13CH3]SCCC1CO1 62a_200025704644_100000732470 [0,0,1,1,0,0|2,0,0]=4 1834 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,1,1,0,0|1,0,0]=3 1835 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,1,1,0,0|1,0,0]=3 1836 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,0,1,1,0,0|2,0,0]=4 1837 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,0,1,1,0,0|2,0,0]=4 1838 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,0,1,1,0,0|2,0,0]=4 1839 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,0,1,1,0,0|2,0,0]=4 1840 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,0,1,1,0,0|2,0,0]=4 1841 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,0,1,1,0,0|2,0,0]=4 1842 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,1,1,0,0|1,0,0]=3 1843 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,0,1,1,0,0|2,0,0]=4 1844 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,0,1,1,0,0|2,0,0]=4 1845 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,0,1,0,1,0|0,0,2]=4 1846 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,0,1,0,1,0|0,0,2]=4 1847 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [0,0,1,0,1,0|0,0,0]=2 1848 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [0,0,1,0,1,0|0,0,0]=2 1849 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [0,0,1,0,1,0|1,0,0]=3 1850 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,0,1,0,1,0|2,0,0]=4 1851 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [0,0,1,0,1,0|1,0,0]=3 1852 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [0,0,1,0,1,0|1,0,0]=3 1853 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [0,0,1,0,1,0|1,0,0]=3 1854 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [0,0,1,0,1,0|1,0,0]=3 1855 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,0,1,0,1,0|1,0,0]=3 1856 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,0,1,0,1,0|1,0,0]=3 1857 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [0,0,1,0,1,0|0,0,0]=2 1858 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [0,0,1,0,1,0|2,0,0]=4 1859 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [0,0,1,0,1,0|2,0,0]=4 1860 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [0,0,1,0,1,0|2,0,0]=4 1861 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [0,0,1,0,1,0|2,0,0]=4 1862 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [0,0,1,0,1,0|1,0,0]=3 1863 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,0,1,0,1,0|1,0,0]=3 1864 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,0,1,0,1,0|1,0,0]=3 1865 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,0,1,0,1,0|2,0,0]=4 1866 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [1,0,0,0,1,0|1,0,1]=4 1867 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [1,0,0,0,1,0|1,0,1]=4 1868 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,0,0,0,2|2,0,0]=4 1869 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,0,0,0,2|2,0,0]=4 1870 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,0,0,0,2|2,0,0]=4 1871 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,0,0,0,2|2,0,0]=4 1872 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,0,0,0,0,2|2,0,0]=4 1873 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,0,0,0,0,2|2,0,0]=4