0 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,0,0,0,0,0|2,0,1]=3 7 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,0,0,0,0,0|2,0,1]=3 8 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,0,0,0,0,0|2,0,1]=3 10 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,0,0,0,0,0|2,0,1]=3 11 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [0,0,0,0,0,0|2,0,0]=2 17 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.3 CN1CCC(CC1)F 2230a_100015193889_200000210301 [0,0,0,0,0,0|2,0,1]=3 19 B8R1.3 CN1CCC(CC1)F 269982a_100015193889_200000210301 [0,0,0,0,0,0|2,0,1]=3 20 B8R1.3 CN1CCC(CC1)F 34a_100015193889_200000210301 [0,0,0,0,0,0|2,0,1]=3 21 B8R1.3 CN1CCC(CC1)O 2230a_100025773856_200000210301 [0,0,0,0,0,0|1,0,2]=3 22 B8R1.3 CN1CCC(CC1)O 269982a_100025773856_200000210301 [0,0,0,0,0,0|1,0,2]=3 23 B8R1.3 CN1CCN(CC1)C 2230a_100000188432_200000210301 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.3 CN1CCN(CC1)C 269982a_100000188432_200000210301 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.3 CN1CCN(CC1)[13CH3] 2230a_100000188432_200025704644 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.3 CN1CCN(CC1)[13CH3] 269982a_100000188432_200025704644 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [0,0,0,0,0,0|2,0,0]=2 28 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [0,0,0,0,0,0|2,0,0]=2 29 B8R1.3 [13CH3]N1CCC(CC1)F 2230a_100015193889_200025704644 [0,0,0,0,0,0|2,0,1]=3 30 B8R1.3 [13CH3]N1CCC(CC1)F 269982a_100015193889_200025704644 [0,0,0,0,0,0|2,0,1]=3 31 B8R1.3 [13CH3]N1CCC(CC1)F 34a_100015193889_200025704644 [0,0,0,0,0,0|2,0,1]=3 32 B8R1.3 [13CH3]N1CCC(CC1)O 2230a_100025773856_200025704644 [0,0,0,0,0,0|1,0,2]=3 33 B8R1.3 [13CH3]N1CCC(CC1)O 269982a_100025773856_200025704644 [0,0,0,0,0,0|1,0,2]=3 34 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [0,0,0,0,0,0|2,0,0]=2 35 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [0,0,0,0,0,0|2,0,0]=2 36 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [1,0,0,0,0,0|1,0,1]=3 37 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [1,0,0,0,0,0|1,0,1]=3 38 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [1,0,0,0,0,0|1,0,1]=3 39 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [1,0,0,0,0,0|2,0,1]=4 41 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [1,0,0,0,0,0|2,0,1]=4 42 B7R1.3 CN1CCOCC1 2230a_100015191051_200000210301 [1,0,0,0,0,0|2,0,0]=3 43 B7R1.3 CN1CCOCC1 269982a_100015191051_200000210301 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.3 CN1CCOCC1 34a_100015191051_200000210301 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.3 CN1CCSCC1 2230a_100000737611_200000210301 [1,0,0,0,0,0|2,0,0]=3 46 B7R1.3 CN1CCSCC1 269982a_100000737611_200000210301 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [1,0,0,0,0,0|1,0,1]=3 48 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [1,0,0,0,0,0|1,0,1]=3 49 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [1,0,0,0,0,0|1,0,1]=3 50 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [1,0,0,0,0,0|2,0,1]=4 51 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [1,0,0,0,0,0|2,0,1]=4 52 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [1,0,0,0,0,0|2,0,1]=4 53 B7R1.3 [13CH3]N1CCOCC1 2230a_100015191051_200025704644 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.3 [13CH3]N1CCOCC1 269982a_100015191051_200025704644 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.3 [13CH3]N1CCOCC1 34a_100015191051_200025704644 [1,0,0,0,0,0|2,0,0]=3 56 B7R1.3 [13CH3]N1CCSCC1 2230a_100000737611_200025704644 [1,0,0,0,0,0|2,0,0]=3 57 B7R1.3 [13CH3]N1CCSCC1 269982a_100000737611_200025704644 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.1 C#CC1CCN(CC1)C 2230a_100016991398_200000210301 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.1 C#CC1CCN(CC1)C 269982a_100016991398_200000210301 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.1 C#CC1CCN(CC1)C 34a_100016991398_200000210301 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.1 C#CC1CCN(CC1)[13CH3] 2230a_100016991398_200025704644 [0,1,0,0,0,0|2,0,1]=4 62 B9R1.1 C#CC1CCN(CC1)[13CH3] 269982a_100016991398_200025704644 [0,1,0,0,0,0|2,0,1]=4 63 B9R1.1 C#CC1CCN(CC1)[13CH3] 34a_100016991398_200025704644 [0,1,0,0,0,0|2,0,1]=4 64 B9R1.1 C=C1CCC(CC1)NC 270004a_106832991635_100010272673 [0,1,0,0,0,0|1,0,0]=2 65 B9R1.1 C=C1CCN(CC1)CC 2230a_100000752442_100000210202 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.1 C=C1CCN(CC1)CC 269982a_100000752442_100000204670 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.1 C=C1CCN(CC1)CC 34a_100000752442_100000210202 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.1 C=C1CCN(CC1)CF 269982a_100000752442_100015361967 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.1 C=C1CCN(CC1)CF 34a_100000752442_100015361967 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.1 CC1=CCN(CC1)CF 269982a_100000693516_100015361967 [0,1,0,0,0,0|2,0,1]=4 71 B9R1.1 CC1=CCN(CC1)CF 34a_100000693516_100015361967 [0,1,0,0,0,0|2,0,1]=4 72 B9R1.1 CC1CCC(CC1)O[13CH3] 34a_100000210714_200025704644 [0,1,0,0,0,0|0,0,2]=3 73 B9R1.1 CC1CCC(CC1)O[13CH3] 7a_100000210714_200025704644 [0,1,0,0,0,0|0,0,2]=3 74 B9R1.1 CC1CCC(CC1)S[13CH3] 62a_200025704644_200011216234 [0,1,0,0,0,0|0,1,1]=3 75 B9R1.1 CC1CCN(CC1)CF 269982a_100000188429_100015361967 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.1 CC1CCN(CC1)CF 34a_100000188429_100015361967 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.1 CCC1CCN(CC1)C 2230a_100000754474_200000210301 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.1 CCC1CCN(CC1)C 269982a_100000754474_200000210301 [0,1,0,0,0,0|2,0,0]=3 79 B9R1.1 CCC1CCN(CC1)C 34a_100000754474_200000210301 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.1 CCC1CCN(CC1)[13CH3] 2230a_100000754474_200025704644 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.1 CCC1CCN(CC1)[13CH3] 269982a_100000754474_200025704644 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.1 CCC1CCN(CC1)[13CH3] 34a_100000754474_200025704644 [0,1,0,0,0,0|2,0,0]=3 83 B9R1.1 CCN1CC=C(CC1)C 2230a_100000693516_100000210202 [0,1,0,0,0,0|2,0,1]=4 84 B9R1.1 CCN1CC=C(CC1)C 269982a_100000693516_100000204670 [0,1,0,0,0,0|2,0,1]=4 85 B9R1.1 CCN1CC=C(CC1)C 34a_100000693516_100000210202 [0,1,0,0,0,0|2,0,1]=4 86 B9R1.1 CCN1CCC(CC1)C 2230a_100000188429_100000210202 [0,1,0,0,0,0|2,0,0]=3 87 B9R1.1 CCN1CCC(CC1)C 269982a_100000188429_100000204670 [0,1,0,0,0,0|2,0,0]=3 88 B9R1.1 CCN1CCC(CC1)C 34a_100000188429_100000210202 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.1 CCN1CCC(CC1)F 2230a_100015193889_100000210202 [0,1,0,0,0,0|2,0,1]=4 90 B9R1.1 CCN1CCC(CC1)F 269982a_100015193889_100000204670 [0,1,0,0,0,0|2,0,1]=4 91 B9R1.1 CCN1CCC(CC1)F 34a_100015193889_100000210202 [0,1,0,0,0,0|2,0,1]=4 92 B9R1.1 CCN1CCC(CC1)O 2230a_100025773856_100000210202 [0,1,0,0,0,0|1,0,2]=4 93 B9R1.1 CCN1CCC(CC1)O 269982a_100025773856_100000204670 [0,1,0,0,0,0|1,0,2]=4 94 B9R1.1 CCN1CCN(CC1)C 2230a_100000188432_100000210202 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.1 CCN1CCN(CC1)C 2230a_100000210033_200000210301 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.1 CCN1CCN(CC1)C 269982a_100000188432_100000204670 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.1 CCN1CCN(CC1)C 269982a_100000210033_200000210301 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.1 CCN1CCN(CC1)[13CH3] 2230a_100000210033_200025704644 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.1 CCN1CCN(CC1)[13CH3] 269982a_100000210033_200025704644 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.1 CCN1CCS(=O)CC1 2230a_100000752083_100000210202 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.1 CCN1CCS(=O)CC1 269982a_100000752083_100000204670 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.1 CN1CCC(CC1)C#N 2230a_100000747632_200000210301 [0,1,0,0,0,0|2,0,1]=4 103 B9R1.1 CN1CCC(CC1)CF 2230a_100015203933_200000210301 [0,1,0,0,0,0|2,0,0]=3 104 B9R1.1 CN1CCC(CC1)CF 269982a_100015203933_200000210301 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.1 CN1CCC(CC1)CF 34a_100015203933_200000210301 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.1 CN1CCC(CC1)CO 2230a_100000738675_200000210301 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.1 CN1CCC(CC1)CO 269982a_100000738675_200000210301 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.1 CN1CCC(CC1)CO 34a_100000738675_200000210301 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.1 CN1CCC(CC1)S[13CH3] 62a_200025704644_100011215917 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.1 CN1CCN(CC1)CF 269982a_100000188432_100015361967 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [0,1,0,0,0,0|1,0,0]=2 112 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [0,1,0,0,0,0|1,0,0]=2 113 B9R1.1 CNC1CCC(CC1)C 270004a_106832991635_100000185489 [0,1,0,0,0,0|1,0,1]=3 114 B9R1.1 CNC1CCC(CC1)C 34a_100102657272_200011216234 [0,1,0,0,0,0|1,0,1]=3 115 B9R1.1 CNC1CCC(CC1)O 270004a_106832991635_100000764474 [0,1,0,0,0,0|0,0,2]=3 116 B9R1.1 CNC1CCN(CC1)C 270004a_106832991635_100000210137 [0,1,0,0,0,0|2,0,0]=3 117 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_200000210301 [0,1,0,0,0,0|1,0,1]=3 118 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_200000210301 [0,1,0,0,0,0|1,0,1]=3 119 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,1,0,0,0,0|0,0,0]=1 120 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,1,0,0,0,0|0,0,0]=1 121 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,1,0,0,0,0|1,0,0]=2 122 B9R1.1 COC1CCC(CC1)C 34a_100000210714_200000210301 [0,1,0,0,0,0|0,0,2]=3 123 B9R1.1 COC1CCC(CC1)C 34a_100138415774_200011216234 [0,1,0,0,0,0|0,0,2]=3 124 B9R1.1 COC1CCC(CC1)C 7a_100000210714_200000210301 [0,1,0,0,0,0|0,0,2]=3 125 B9R1.1 COC1CCN(CC1)C 2230a_100000234800_200000210301 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.1 COC1CCN(CC1)C 269982a_100000234800_200000210301 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.1 COC1CCN(CC1)C 34a_100000234800_200000210301 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.1 COC1CCN(CC1)[13CH3] 2230a_100000234800_200025704644 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.1 COC1CCN(CC1)[13CH3] 269982a_100000234800_200025704644 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.1 COC1CCN(CC1)[13CH3] 34a_100000234800_200025704644 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.1 COC1CNC(=O)NC1 34a_100000080929_200000210301 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.1 CO[C@H]1CC[C@H](CC1)N 34a_100020628982_200000210301 [0,1,0,0,0,0|1,0,1]=3 133 B9R1.1 CSC1CCC(CC1)C 62a_200000210301_200011216234 [0,1,0,0,0,0|0,1,1]=3 134 B9R1.1 CSC1CCN(CC1)C 2230a_100015202541_200000210301 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.1 CSC1CCN(CC1)C 269982a_100015202541_200000210301 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.1 CSC1CCN(CC1)C 34a_100015202541_200000210301 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.1 CSC1CCN(CC1)C 62a_200000210301_100011215917 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.1 CSC1CCN(CC1)[13CH3] 2230a_100015202541_200025704644 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.1 CSC1CCN(CC1)[13CH3] 269982a_100015202541_200025704644 [0,1,0,0,0,0|2,0,0]=3 140 B9R1.1 CSC1CCN(CC1)[13CH3] 34a_100015202541_200025704644 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 2230a_100020625639_200025704644 [0,1,0,0,0,0|1,0,1]=3 142 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 34a_100020625639_200025704644 [0,1,0,0,0,0|1,0,1]=3 143 B9R1.1 FCN1CCC(CC1)F 269982a_100015193889_100015361967 [0,1,0,0,0,0|2,0,1]=4 144 B9R1.1 FCN1CCC(CC1)F 34a_100015193889_100015361967 [0,1,0,0,0,0|2,0,1]=4 145 B9R1.1 O=S1CCN(CC1)CF 269982a_100000752083_100015361967 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.1 OC1CCN(CC1)CF 269982a_100025773856_100015361967 [0,1,0,0,0,0|1,0,2]=4 147 B9R1.1 [13CH3]N1CCC(CC1)C#N 2230a_100000747632_200025704644 [0,1,0,0,0,0|2,0,1]=4 148 B9R1.1 [13CH3]N1CCC(CC1)CF 2230a_100015203933_200025704644 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.1 [13CH3]N1CCC(CC1)CF 269982a_100015203933_200025704644 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.1 [13CH3]N1CCC(CC1)CF 34a_100015203933_200025704644 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.1 [13CH3]N1CCC(CC1)CO 2230a_100000738675_200025704644 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.1 [13CH3]N1CCC(CC1)CO 269982a_100000738675_200025704644 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.1 [13CH3]N1CCC(CC1)CO 34a_100000738675_200025704644 [0,1,0,0,0,0|2,0,0]=3 154 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [0,1,0,0,0,0|1,0,0]=2 155 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [0,1,0,0,0,0|1,0,0]=2 156 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,1,0,0,0,0|0,0,0]=1 157 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,1,0,0,0,0|0,0,0]=1 158 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,1,0,0,0,0|1,0,0]=2 159 B9R1.1 [13CH3]OC1CNC(=O)NC1 34a_100000080929_200025704644 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.1 [13CH3]O[C@H]1CC[C@H](CC1)N 34a_100020628982_200025704644 [0,1,0,0,0,0|1,0,1]=3 161 B9R1.10 CC1(CCN(CC1)[13CH3])C 2230a_100000750138_200025704644 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.10 CC1(CCN(CC1)[13CH3])C 269982a_100000750138_200025704644 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.10 CC1(CCN(CC1)[13CH3])O 2230a_100000690209_200025704644 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.10 CC1(CCN(CC1)[13CH3])O 269982a_100000690209_200025704644 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.10 CN1CCC(CC1)(C)C 2230a_100000750138_200000210301 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.10 CN1CCC(CC1)(C)C 269982a_100000750138_200000210301 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.10 CN1CCC(CC1)(C)O 2230a_100000690209_200000210301 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.10 CN1CCC(CC1)(C)O 269982a_100000690209_200000210301 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.10 CN1CCC(CC1)(F)F 2230a_100000724815_200000210301 [0,1,0,0,0,0|2,0,1]=4 170 B9R1.10 CN1CCC(CC1)(F)F 269982a_100000724815_200000210301 [0,1,0,0,0,0|2,0,1]=4 171 B9R1.10 CN1CCC(CC1)(F)F 34a_100000724815_200000210301 [0,1,0,0,0,0|2,0,1]=4 172 B9R1.10 CN1CCC(CC1)(O)O 269982a_100016987284_200000210301 [0,1,0,0,0,0|1,0,2]=4 173 B9R1.10 CN1CCS(=O)(=O)CC1 2230a_100000750940_200000210301 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.10 CN1CCS(=O)(=O)CC1 269982a_100000750940_200000210301 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.10 CN1CCS(=O)(=O)CC1 34a_100000750940_200000210301 [0,1,0,0,0,0|2,0,0]=3 176 B9R1.10 CN1CC[Si](CC1)(C)C 2230a_100025715224_200000210301 [0,1,0,0,0,0|2,1,0]=4 177 B9R1.10 CN1CC[Si](CC1)(C)C 269982a_100025715224_200000210301 [0,1,0,0,0,0|2,1,0]=4 178 B9R1.10 C[Si]1(CCN(CC1)[13CH3])C 2230a_100025715224_200025704644 [0,1,0,0,0,0|2,1,0]=4 179 B9R1.10 C[Si]1(CCN(CC1)[13CH3])C 269982a_100025715224_200025704644 [0,1,0,0,0,0|2,1,0]=4 180 B9R1.10 [13CH3]N1CCC(CC1)(F)F 2230a_100000724815_200025704644 [0,1,0,0,0,0|2,0,1]=4 181 B9R1.10 [13CH3]N1CCC(CC1)(F)F 269982a_100000724815_200025704644 [0,1,0,0,0,0|2,0,1]=4 182 B9R1.10 [13CH3]N1CCC(CC1)(F)F 34a_100000724815_200025704644 [0,1,0,0,0,0|2,0,1]=4 183 B9R1.10 [13CH3]N1CCC(CC1)(O)O 269982a_100016987284_200025704644 [0,1,0,0,0,0|1,0,2]=4 184 B9R1.10 [13CH3]N1CCS(=O)(=O)CC1 2230a_100000750940_200025704644 [0,1,0,0,0,0|2,0,0]=3 185 B9R1.10 [13CH3]N1CCS(=O)(=O)CC1 269982a_100000750940_200025704644 [0,1,0,0,0,0|2,0,0]=3 186 B9R1.10 [13CH3]N1CCS(=O)(=O)CC1 34a_100000750940_200025704644 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.69 CC1CCN(CC1O)C 2230a_100000696640_200000210301 [0,1,0,0,0,0|2,0,0]=3 188 B9R1.69 CC1CCN(CC1O)C 269982a_100000696640_200000210301 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.69 CC1CCN(CC1O)[13CH3] 2230a_100000696640_200025704644 [0,1,0,0,0,0|2,0,0]=3 190 B9R1.69 CC1CCN(CC1O)[13CH3] 269982a_100000696640_200025704644 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.69 CC1CN(CCC1O)C 2230a_100011998114_200000210301 [0,1,0,0,0,0|1,0,2]=4 192 B9R1.69 CC1CN(CCC1O)C 269982a_100011998114_200000210301 [0,1,0,0,0,0|1,0,2]=4 193 B9R1.69 CC1CN(CCC1O)[13CH3] 2230a_100011998114_200025704644 [0,1,0,0,0,0|1,0,2]=4 194 B9R1.69 CC1CN(CCC1O)[13CH3] 269982a_100011998114_200025704644 [0,1,0,0,0,0|1,0,2]=4 195 B9R1.69 CN1CC[C@H]([C@H](C1)F)O 2230a_200016994291_200000210301 [0,1,0,0,0,0|1,0,2]=4 196 B9R1.69 CN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_200000210301 [0,1,0,0,0,0|1,0,2]=4 197 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200000210301 [0,1,0,0,0,0|1,0,2]=4 198 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200000210301 [0,1,0,0,0,0|1,0,2]=4 199 B9R1.69 C[C@H]1CN(CCN1C)C 2230a_100012002466_200000210301 [0,1,0,0,0,0|3,0,0]=4 200 B9R1.69 C[C@H]1CN(CCN1C)C 2230a_100020603432_200000210301 [0,1,0,0,0,0|3,0,0]=4 201 B9R1.69 C[C@H]1CN(CCN1C)C 269982a_100012002466_200000210301 [0,1,0,0,0,0|3,0,0]=4 202 B9R1.69 C[C@H]1CN(CCN1C)C 269982a_100020603432_200000210301 [0,1,0,0,0,0|3,0,0]=4 203 B9R1.69 C[C@H]1CN(CCN1C)[13CH3] 2230a_100020603432_200025704644 [0,1,0,0,0,0|3,0,0]=4 204 B9R1.69 C[C@H]1CN(CCN1C)[13CH3] 269982a_100020603432_200025704644 [0,1,0,0,0,0|3,0,0]=4 205 B9R1.69 C[C@H]1CN(CCN1[13CH3])C 2230a_100012002466_200025704644 [0,1,0,0,0,0|3,0,0]=4 206 B9R1.69 C[C@H]1CN(CCN1[13CH3])C 269982a_100012002466_200025704644 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)F)O 2230a_200016994291_200025704644 [0,1,0,0,0,0|1,0,2]=4 208 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)F)O 269982a_200016994291_200025704644 [0,1,0,0,0,0|1,0,2]=4 209 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200025704644 [0,1,0,0,0,0|1,0,2]=4 210 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200025704644 [0,1,0,0,0,0|1,0,2]=4 211 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,0,1,0,0,0|0,0,2]=3 212 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [0,0,1,0,0,0|1,0,2]=4 213 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,0,1,0,0,0|1,0,2]=4 214 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [0,0,1,0,0,0|1,0,2]=4 215 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [0,0,1,0,0,0|1,0,2]=4 216 B7R0.3 C#CC(C)NCC=O 2230a_100000707721_200015260668 [0,0,1,0,0,0|1,0,2]=4 217 B7R0.3 C#CC(C)NCC=O 34a_100000707721_200009817547 [0,0,1,0,0,0|1,0,2]=4 218 B7R0.3 C#CC(C)SCC=O 62a_200000035995_200015260668 [0,0,1,0,0,0|1,0,2]=4 219 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,0,1,0,0,0|0,0,2]=3 220 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,0,1,0,0,0|0,0,2]=3 221 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [0,0,1,0,0,0|1,0,2]=4 222 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [0,0,1,0,0,0|1,0,2]=4 223 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [0,0,1,0,0,0|1,0,2]=4 224 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [0,0,1,0,0,0|1,0,2]=4 225 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [0,0,1,0,0,0|1,0,2]=4 226 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [0,0,1,0,0,0|1,0,2]=4 227 B7R0.3 C#CCCN(C)CC 2230a_100000225621_100000688953 [0,0,1,0,0,0|2,0,1]=4 228 B7R0.3 C#CCCN(C)CC 269982a_100000225621_100000730999 [0,0,1,0,0,0|2,0,1]=4 229 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [0,0,1,0,0,0|1,0,2]=4 230 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [0,0,1,0,0,0|1,0,2]=4 231 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [0,0,1,0,0,0|1,0,2]=4 232 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [0,0,1,0,0,0|1,0,2]=4 233 B7R0.3 C#CCNC(C)CC 2230a_100000209981_100000038162 [0,0,1,0,0,0|2,0,1]=4 234 B7R0.3 C#CCNC(C)CC 34a_100000212058_100011215416 [0,0,1,0,0,0|2,0,1]=4 235 B7R0.3 C#CCOC(C)CC 34a_100000210247_100011215416 [0,0,1,0,0,0|2,0,1]=4 236 B7R0.3 C#CCOC(C)CC 7a_100000210228_100000038162 [0,0,1,0,0,0|2,0,1]=4 237 B7R0.3 C#CCSC(C)CC 62a_100000038162_100000758301 [0,0,1,0,0,0|2,0,1]=4 238 B7R0.3 C#C[C@@H](C)OCC=O 34a_100009815206_200009817547 [0,0,1,0,0,0|1,0,2]=4 239 B7R0.3 C#C[C@@H](C)OCC=O 7a_100009815206_200015260668 [0,0,1,0,0,0|1,0,2]=4 240 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,0,1,0,0,0|0,0,2]=3 241 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,0,1,0,0,0|1,0,2]=4 242 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [0,0,1,0,0,0|2,0,1]=4 243 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,0,1,0,0,0|0,0,2]=3 244 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,0,1,0,0,0|1,0,2]=4 245 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,0,1,0,0,0|1,0,2]=4 246 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,0,1,0,0,0|1,0,2]=4 247 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,0,1,0,0,0|1,0,2]=4 248 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,0,1,0,0,0|1,0,2]=4 249 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,0,1,0,0,0|1,0,2]=4 250 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [0,0,1,0,0,0|1,0,2]=4 251 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [0,0,1,0,0,0|1,0,2]=4 252 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,0,1,0,0,0|0,0,2]=3 253 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,0,1,0,0,0|0,0,2]=3 254 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [0,0,1,0,0,0|1,0,2]=4 255 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,0,1,0,0,0|1,0,2]=4 256 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,0,1,0,0,0|1,0,2]=4 257 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,0,1,0,0,0|1,0,2]=4 258 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,0,1,0,0,0|1,0,2]=4 259 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,0,1,0,0,0|1,0,2]=4 260 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [0,0,1,0,0,0|2,0,0]=3 261 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,0,1,0,0,0|2,0,0]=3 262 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,0,1,0,0,0|2,0,0]=3 263 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,0,1,0,0,0|2,0,0]=3 264 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,0,1,0,0,0|2,0,0]=3 265 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [0,0,1,0,0,0|2,0,0]=3 266 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [0,0,1,0,0,0|2,0,0]=3 267 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [0,0,1,0,0,0|2,0,0]=3 268 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [0,0,1,0,0,0|2,0,0]=3 269 B7R0.3 C=CCCN(C)CF 269982a_100020639649_100015361967 [0,0,1,0,0,0|3,0,0]=4 270 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,0,1,0,0,0|1,0,2]=4 271 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,0,1,0,0,0|1,0,2]=4 272 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,0,1,0,0,0|1,0,2]=4 273 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [0,0,1,0,0,0|2,0,0]=3 274 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [0,0,1,0,0,0|2,0,0]=3 275 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [0,0,1,0,0,0|3,0,0]=4 276 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [0,0,1,0,0,0|3,0,0]=4 277 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,0,1,0,0,0|2,0,0]=3 278 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,0,1,0,0,0|2,0,0]=3 279 B7R0.3 C=CCOC(C)CF 34a_100016041109_100015514636 [0,0,1,0,0,0|3,0,0]=4 280 B7R0.3 C=CCOC(C)CF 7a_100016041109_100015514636 [0,0,1,0,0,0|3,0,0]=4 281 B7R0.3 C=CCOC(C)CN 34a_100000210904_100015514636 [0,0,1,0,0,0|3,0,0]=4 282 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [0,0,1,0,0,0|3,0,0]=4 283 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [0,0,1,0,0,0|2,0,0]=3 284 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [0,0,1,0,0,0|2,0,0]=3 285 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [0,0,1,0,0,0|3,0,0]=4 286 B7R0.3 C=CCSC(C)OC 62a_100000210623_100009879195 [0,0,1,0,0,0|3,0,0]=4 287 B7R0.3 C=CCSC(C)OC 62a_100009879195_100000210623 [0,0,1,0,0,0|3,0,0]=4 288 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [0,0,1,0,0,0|3,0,0]=4 289 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [0,0,1,0,0,0|3,0,0]=4 290 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,0,1,0,0,0|0,0,2]=3 291 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [0,0,1,0,0,0|1,0,2]=4 292 B7R0.3 CC(C#N)NCC=O 2230a_100000737613_200015260668 [0,0,1,0,0,0|2,0,1]=4 293 B7R0.3 CC(C#N)OCC=O 34a_100011218135_200009817547 [0,0,1,0,0,0|2,0,1]=4 294 B7R0.3 CC(C#N)SCC=O 62a_100000703298_200015260668 [0,0,1,0,0,0|2,0,1]=4 295 B7R0.3 CC(C#N)SCC=O 62a_200015260668_100000703298 [0,0,1,0,0,0|2,0,1]=4 296 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,0,1,0,0,0|2,0,1]=4 297 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,0,1,0,0,0|2,0,1]=4 298 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [0,0,1,0,0,0|2,0,0]=3 299 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [0,0,1,0,0,0|2,0,0]=3 300 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [0,0,1,0,0,0|2,0,0]=3 301 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [0,0,1,0,0,0|3,0,0]=4 302 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [0,0,1,0,0,0|3,0,0]=4 303 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [0,0,1,0,0,0|2,0,0]=3 304 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,0,1,0,0,0|0,0,2]=3 305 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,0,1,0,0,0|0,0,2]=3 306 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,0,1,0,0,0|1,0,2]=4 307 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,0,1,0,0,0|1,0,2]=4 308 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,0,1,0,0,0|1,0,2]=4 309 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,0,1,0,0,0|1,0,2]=4 310 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,0,1,0,0,0|1,0,2]=4 311 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,0,1,0,0,0|1,0,2]=4 312 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [0,0,1,0,0,0|2,0,1]=4 313 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,0,1,0,0,0|2,0,1]=4 314 B7R0.3 CC=NNC(C)CC 4a_100000718999_200000210099 [0,0,1,0,0,0|3,0,0]=4 315 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,0,1,0,0,0|0,0,2]=3 316 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [0,0,1,0,0,0|1,0,2]=4 317 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [0,0,1,0,0,0|1,0,2]=4 318 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,0,1,0,0,0|1,0,2]=4 319 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,0,1,0,0,0|1,0,1]=3 320 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,0,1,0,0,0|1,0,1]=3 321 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,0,1,0,0,0|1,0,0]=2 322 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,0,1,0,0,0|1,0,0]=2 323 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,0,1,0,0,0|1,0,0]=2 324 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,0,1,0,0,0|1,0,0]=2 325 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,0,1,0,0,0|1,0,0]=2 326 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,0,1,0,0,0|1,0,0]=2 327 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,0,1,0,0,0|2,0,0]=3 328 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,0,1,0,0,0|2,0,0]=3 329 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,0,1,0,0,0|2,0,0]=3 330 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [0,0,1,0,0,0|2,0,1]=4 331 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [0,0,1,0,0,0|2,0,1]=4 332 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,0,1,0,0,0|2,0,0]=3 333 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,0,1,0,0,0|2,0,0]=3 334 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,0,1,0,0,0|2,0,0]=3 335 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,0,1,0,0,0|2,0,0]=3 336 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,0,1,0,0,0|2,0,0]=3 337 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,0,1,0,0,0|2,0,0]=3 338 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,0,1,0,0,0|2,0,0]=3 339 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,0,1,0,0,0|2,0,0]=3 340 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,0,1,0,0,0|2,0,0]=3 341 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,0,1,0,0,0|2,0,0]=3 342 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [0,0,1,0,0,0|2,0,1]=4 343 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [0,0,1,0,0,0|2,0,1]=4 344 B7R0.3 CCC(C)NCC#N 2230a_100000209981_100011215382 [0,0,1,0,0,0|2,0,1]=4 345 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,0,1,0,0,0|1,0,0]=2 346 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [0,0,1,0,0,0|2,0,1]=4 347 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [0,0,1,0,0,0|2,0,1]=4 348 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,0,1,0,0,0|1,0,2]=4 349 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,0,1,0,0,0|1,0,2]=4 350 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,0,1,0,0,0|1,0,2]=4 351 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,0,1,0,0,0|3,0,0]=4 352 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,0,1,0,0,0|3,0,0]=4 353 B7R0.3 CCC(C)OCC#N 7a_100000210228_100011215382 [0,0,1,0,0,0|2,0,1]=4 354 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,0,1,0,0,0|1,0,0]=2 355 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,0,1,0,0,0|2,0,1]=4 356 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,0,1,0,0,0|2,0,1]=4 357 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,0,1,0,0,0|2,0,1]=4 358 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,0,1,0,0,0|1,0,2]=4 359 B7R0.3 CCC(C)SCC#N 62a_100000758301_100011215382 [0,0,1,0,0,0|2,0,1]=4 360 B7R0.3 CCC(C)SCC#N 62a_100011215382_100000758301 [0,0,1,0,0,0|2,0,1]=4 361 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,0,1,0,0,0|1,0,0]=2 362 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,0,1,0,0,0|1,0,0]=2 363 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [0,0,1,0,0,0|2,0,1]=4 364 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [0,0,1,0,0,0|2,0,1]=4 365 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,0,1,0,0,0|1,0,2]=4 366 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,0,1,0,0,0|1,0,2]=4 367 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [0,0,1,0,0,0|3,0,0]=4 368 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [0,0,1,0,0,0|3,0,0]=4 369 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,0,1,0,0,0|3,0,0]=4 370 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,0,1,0,0,0|3,0,0]=4 371 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,0,1,0,0,0|0,0,2]=3 372 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,0,1,0,0,0|1,0,2]=4 373 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,0,1,0,0,0|1,0,2]=4 374 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,0,1,0,0,0|1,0,2]=4 375 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,0,1,0,0,0|1,0,2]=4 376 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,0,1,0,0,0|0,0,0]=1 377 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,0,1,0,0,0|0,0,0]=1 378 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,0,1,0,0,0|1,0,0]=2 379 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,0,1,0,0,0|1,0,0]=2 380 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,0,1,0,0,0|1,0,0]=2 381 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,0,1,0,0,0|1,0,0]=2 382 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,0,1,0,0,0|1,0,0]=2 383 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,0,1,0,0,0|1,0,0]=2 384 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,0,1,0,0,0|2,0,1]=4 385 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,0,1,0,0,0|2,0,1]=4 386 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,0,1,0,0,0|2,0,1]=4 387 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,0,1,0,0,0|2,0,1]=4 388 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,0,1,0,0,0|2,0,1]=4 389 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,0,1,0,0,0|2,0,1]=4 390 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,0,1,0,0,0|2,0,1]=4 391 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,0,1,0,0,0|2,0,1]=4 392 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,0,1,0,0,0|2,0,1]=4 393 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,0,1,0,0,0|2,0,1]=4 394 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,0,1,0,0,0|2,0,1]=4 395 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,0,1,0,0,0|2,0,1]=4 396 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,0,1,0,0,0|2,0,1]=4 397 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,0,1,0,0,0|2,0,1]=4 398 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,0,1,0,0,0|2,0,1]=4 399 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [0,0,1,0,0,0|2,0,0]=3 400 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [0,0,1,0,0,0|2,0,0]=3 401 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [0,0,1,0,0,0|2,0,0]=3 402 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [0,0,1,0,0,0|2,0,0]=3 403 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [0,0,1,0,0,0|2,0,0]=3 404 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [0,0,1,0,0,0|2,0,0]=3 405 B7R0.3 CCCCN(C)CF 269982a_100000207549_100015361967 [0,0,1,0,0,0|3,0,0]=4 406 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [0,0,1,0,0,0|2,0,0]=3 407 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [0,0,1,0,0,0|2,0,0]=3 408 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,0,1,0,0,0|1,0,0]=2 409 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,0,1,0,0,0|1,0,0]=2 410 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,0,1,0,0,0|1,0,0]=2 411 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,0,1,0,0,0|1,0,0]=2 412 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,0,1,0,0,0|2,0,0]=3 413 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,0,1,0,0,0|2,0,0]=3 414 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,0,1,0,0,0|2,0,0]=3 415 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,0,1,0,0,0|2,0,0]=3 416 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,0,1,0,0,0|2,0,0]=3 417 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,0,1,0,0,0|2,0,0]=3 418 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,0,1,0,0,0|2,0,0]=3 419 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,0,1,0,0,0|2,0,0]=3 420 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,0,1,0,0,0|2,0,1]=4 421 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,0,1,0,0,0|2,0,1]=4 422 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,0,1,0,0,0|2,0,1]=4 423 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,0,1,0,0,0|2,0,1]=4 424 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,0,1,0,0,0|2,0,1]=4 425 B7R0.3 CCN(C)CCC#N 2230a_100000184479_100000210202 [0,0,1,0,0,0|2,0,1]=4 426 B7R0.3 CCN(C)CCC#N 2230a_100000225621_100011215226 [0,0,1,0,0,0|2,0,1]=4 427 B7R0.3 CCN(C)CCC#N 2230a_100000226048_200000210301 [0,0,1,0,0,0|2,0,1]=4 428 B7R0.3 CCN(C)CCC#N 269982a_100000225621_100011215226 [0,0,1,0,0,0|2,0,1]=4 429 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [0,0,1,0,0,0|2,0,1]=4 430 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [0,0,1,0,0,0|2,0,1]=4 431 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [0,0,1,0,0,0|1,0,2]=4 432 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [0,0,1,0,0,0|1,0,2]=4 433 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [0,0,1,0,0,0|1,0,2]=4 434 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [0,0,1,0,0,0|1,0,2]=4 435 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [0,0,1,0,0,0|3,0,0]=4 436 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [0,0,1,0,0,0|3,0,0]=4 437 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [0,0,1,0,0,0|3,0,0]=4 438 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [0,0,1,0,0,0|3,0,0]=4 439 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [0,0,1,0,0,0|3,0,0]=4 440 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [0,0,1,0,0,0|3,0,0]=4 441 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [0,0,1,0,0,0|3,0,0]=4 442 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [0,0,1,0,0,0|3,0,0]=4 443 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [0,0,1,0,0,0|3,0,0]=4 444 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [0,0,1,0,0,0|3,0,0]=4 445 B7R0.3 CCN([13CH3])CCC#N 2230a_100000226048_200025704644 [0,0,1,0,0,0|2,0,1]=4 446 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [0,0,1,0,0,0|3,0,0]=4 447 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [0,0,1,0,0,0|3,0,0]=4 448 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,0,1,0,0,0|2,0,0]=3 449 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,0,1,0,0,0|2,0,0]=3 450 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,0,1,0,0,0|2,0,0]=3 451 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,0,1,0,0,0|2,0,1]=4 452 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,0,1,0,0,0|2,0,1]=4 453 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,0,1,0,0,0|2,0,1]=4 454 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,0,1,0,0,0|1,0,2]=4 455 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,0,1,0,0,0|1,0,2]=4 456 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,0,1,0,0,0|2,0,1]=4 457 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,0,1,0,0,0|2,0,0]=3 458 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,0,1,0,0,0|3,0,0]=4 459 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [0,0,1,0,0,0|3,0,0]=4 460 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [0,0,1,0,0,0|3,0,0]=4 461 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [0,0,1,0,0,0|3,0,0]=4 462 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,0,1,0,0,0|1,0,0]=2 463 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,0,1,0,0,0|1,0,0]=2 464 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,0,1,0,0,0|2,0,0]=3 465 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,0,1,0,0,0|2,0,0]=3 466 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,0,1,0,0,0|2,0,0]=3 467 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,0,1,0,0,0|2,0,0]=3 468 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,0,1,0,0,0|2,0,0]=3 469 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,0,1,0,0,0|2,0,0]=3 470 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,0,1,0,0,0|2,0,0]=3 471 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,0,1,0,0,0|2,0,0]=3 472 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,0,1,0,0,0|2,0,1]=4 473 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,0,1,0,0,0|1,0,2]=4 474 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [0,0,1,0,0,0|3,0,0]=4 475 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,0,1,0,0,0|2,0,1]=4 476 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,0,1,0,0,0|2,0,1]=4 477 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,0,1,0,0,0|1,0,0]=2 478 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,0,1,0,0,0|1,0,0]=2 479 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,0,1,0,0,0|1,0,0]=2 480 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,0,1,0,0,0|2,0,0]=3 481 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,0,1,0,0,0|2,0,0]=3 482 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,0,1,0,0,0|2,0,0]=3 483 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,0,1,0,0,0|2,0,0]=3 484 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,0,1,0,0,0|2,0,0]=3 485 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,0,1,0,0,0|2,0,0]=3 486 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,0,1,0,0,0|2,0,0]=3 487 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,0,1,0,0,0|2,0,0]=3 488 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,0,1,0,0,0|2,0,0]=3 489 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,0,1,0,0,0|2,0,1]=4 490 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,0,1,0,0,0|2,0,1]=4 491 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,0,1,0,0,0|1,0,2]=4 492 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,0,1,0,0,0|1,0,2]=4 493 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,0,1,0,0,0|2,0,1]=4 494 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,0,1,0,0,0|2,0,1]=4 495 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [0,0,1,0,0,0|2,0,1]=4 496 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [0,0,1,0,0,0|2,0,1]=4 497 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [0,0,1,0,0,0|2,0,1]=4 498 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [0,0,1,0,0,0|2,0,1]=4 499 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [0,0,1,0,0,0|2,0,1]=4 500 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [0,0,1,0,0,0|2,0,1]=4 501 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [0,0,1,0,0,0|2,0,1]=4 502 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,0,1,0,0,0|2,0,0]=3 503 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,0,1,0,0,0|2,0,0]=3 504 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,0,1,0,0,0|2,0,0]=3 505 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,0,1,0,0,0|2,0,0]=3 506 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,0,1,0,0,0|2,0,0]=3 507 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,0,1,0,0,0|2,0,0]=3 508 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,0,1,0,0,0|2,0,0]=3 509 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,0,1,0,0,0|2,0,0]=3 510 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,0,1,0,0,0|2,0,0]=3 511 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,0,1,0,0,0|2,0,0]=3 512 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,0,1,0,0,0|2,0,0]=3 513 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,0,1,0,0,0|2,0,0]=3 514 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,0,1,0,0,0|2,0,0]=3 515 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,0,1,0,0,0|2,0,0]=3 516 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,0,1,0,0,0|2,0,0]=3 517 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,0,1,0,0,0|2,0,0]=3 518 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,0,1,0,0,0|2,0,0]=3 519 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,0,1,0,0,0|3,0,0]=4 520 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [0,0,1,0,0,0|3,0,0]=4 521 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [0,0,1,0,0,0|3,0,0]=4 522 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,0,1,0,0,0|3,0,0]=4 523 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,0,1,0,0,0|3,0,0]=4 524 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,0,1,0,0,0|3,0,0]=4 525 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,0,1,0,0,0|3,0,0]=4 526 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,0,1,0,0,0|3,0,0]=4 527 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,0,1,0,0,0|3,0,0]=4 528 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,0,1,0,0,0|3,0,0]=4 529 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,0,1,0,0,0|3,0,0]=4 530 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [0,0,1,0,0,0|3,0,0]=4 531 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [0,0,1,0,0,0|3,0,0]=4 532 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,0,1,0,0,0|2,0,0]=3 533 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,0,1,0,0,0|2,0,0]=3 534 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,0,1,0,0,0|2,0,0]=3 535 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,0,1,0,0,0|2,0,0]=3 536 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,0,1,0,0,0|2,0,0]=3 537 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,0,1,0,0,0|2,0,0]=3 538 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,0,1,0,0,0|2,0,0]=3 539 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,0,1,0,0,0|2,0,0]=3 540 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [0,0,1,0,0,0|3,0,0]=4 541 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [0,0,1,0,0,0|3,0,0]=4 542 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,0,1,0,0,0|2,0,0]=3 543 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,0,1,0,0,0|2,0,0]=3 544 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,0,1,0,0,0|2,0,0]=3 545 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,0,1,0,0,0|2,0,0]=3 546 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [0,0,1,0,0,0|3,0,0]=4 547 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [0,0,1,0,0,0|3,0,0]=4 548 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,0,1,0,0,0|3,0,0]=4 549 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,0,1,0,0,0|3,0,0]=4 550 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,0,1,0,0,0|2,0,1]=4 551 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,0,1,0,0,0|2,0,1]=4 552 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,0,1,0,0,0|3,0,0]=4 553 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [0,0,1,0,0,0|2,0,0]=3 554 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [0,0,1,0,0,0|2,0,0]=3 555 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,0,1,0,0,0|2,0,0]=3 556 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,0,1,0,0,0|2,0,0]=3 557 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,0,1,0,0,0|2,0,0]=3 558 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,0,1,0,0,0|3,0,0]=4 559 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,0,1,0,0,0|2,0,0]=3 560 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,0,1,0,0,0|2,0,0]=3 561 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,0,1,0,0,0|2,0,0]=3 562 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [0,0,1,0,0,0|2,0,0]=3 563 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [0,0,1,0,0,0|2,0,0]=3 564 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [0,0,1,0,0,0|2,0,1]=4 565 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [0,0,1,0,0,0|2,0,1]=4 566 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,0,1,0,0,0|2,0,0]=3 567 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,0,1,0,0,0|2,0,0]=3 568 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,0,1,0,0,0|3,0,0]=4 569 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,0,1,0,0,0|3,0,0]=4 570 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,0,1,0,0,0|3,0,0]=4 571 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,0,1,0,0,0|3,0,0]=4 572 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,0,1,0,0,0|0,0,2]=3 573 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,0,1,0,0,0|0,0,2]=3 574 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,0,1,0,0,0|0,0,2]=3 575 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [0,0,1,0,0,0|2,0,0]=3 576 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [0,0,1,0,0,0|2,0,0]=3 577 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,0,1,0,0,0|1,0,2]=4 578 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,0,1,0,0,0|1,0,2]=4 579 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,0,1,0,0,0|1,0,2]=4 580 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,0,1,0,0,0|1,0,2]=4 581 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,0,1,0,0,0|2,0,0]=3 582 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,0,1,0,0,0|2,0,0]=3 583 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,0,1,0,0,0|2,0,0]=3 584 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,0,1,0,0,0|2,0,0]=3 585 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,0,1,0,0,0|2,0,0]=3 586 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,0,1,0,0,0|2,0,0]=3 587 B7R0.6 C=C(F)CNC(C)C 2230a_100138425928_100009893438 [0,0,1,0,0,0|2,0,1]=4 588 B7R0.6 C=C(F)CNC(C)C 34a_100138425928_100009893438 [0,0,1,0,0,0|2,0,1]=4 589 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [0,0,1,0,0,0|2,0,1]=4 590 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [0,0,1,0,0,0|2,0,1]=4 591 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [0,0,1,0,0,0|2,0,1]=4 592 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [0,0,1,0,0,0|2,0,1]=4 593 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,0,1,0,0,0|0,0,2]=3 594 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [0,0,1,0,0,0|2,0,1]=4 595 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [0,0,1,0,0,0|2,0,1]=4 596 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,0,1,0,0,0|0,0,2]=3 597 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,0,1,0,0,0|0,0,2]=3 598 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,0,1,0,0,0|0,0,2]=3 599 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,0,1,0,0,0|2,0,1]=4 600 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,0,1,0,0,0|0,0,0]=1 601 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,0,1,0,0,0|0,0,0]=1 602 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,0,1,0,0,0|1,0,0]=2 603 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,0,1,0,0,0|1,0,0]=2 604 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [0,0,1,0,0,0|3,0,0]=4 605 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,0,1,0,0,0|1,0,0]=2 606 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,0,1,0,0,0|2,0,1]=4 607 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,0,1,0,0,0|2,0,1]=4 608 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,0,1,0,0,0|1,0,0]=2 609 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,0,1,0,0,0|1,0,0]=2 610 B7R0.6 CC(=O)COC(F)F 1458a_200000719455_200000210301 [0,0,1,0,0,0|3,0,0]=4 611 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,0,1,0,0,0|2,0,1]=4 612 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,0,1,0,0,0|1,0,0]=2 613 B7R0.6 CC(=O)CSC(F)F 1458a_114828291038_200000210301 [0,0,1,0,0,0|3,0,0]=4 614 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,0,1,0,0,0|2,0,1]=4 615 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,0,1,0,0,0|1,0,0]=2 616 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,0,1,0,0,0|1,0,0]=2 617 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,0,1,0,0,0|1,0,0]=2 618 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,0,1,0,0,0|1,0,0]=2 619 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,0,1,0,0,0|2,0,0]=3 620 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,0,1,0,0,0|2,0,0]=3 621 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,0,1,0,0,0|2,0,0]=3 622 B7R0.6 CC(=O)NCC(F)F 11a_100000765723_100015343762 [0,0,1,0,0,0|3,0,0]=4 623 B7R0.6 CC(=O)NCC(F)F 1626a_100000765723_100015343762 [0,0,1,0,0,0|3,0,0]=4 624 B7R0.6 CC(=O)NCC(F)F 240690a_100000765723_100015343762 [0,0,1,0,0,0|3,0,0]=4 625 B7R0.6 CC(=O)NCC(F)F 527a_100000765723_100103153847 [0,0,1,0,0,0|3,0,0]=4 626 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,0,1,0,0,0|2,0,0]=3 627 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,0,1,0,0,0|2,0,1]=4 628 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,0,1,0,0,0|2,0,0]=3 629 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,0,1,0,0,0|2,0,1]=4 630 B7R0.6 CC(Br)COC(C)C 34a_100012180447_100000210206 [0,0,1,0,0,0|2,0,1]=4 631 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,0,1,0,0,0|0,0,2]=3 632 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,0,1,0,0,0|0,0,0]=1 633 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [0,0,1,0,0,0|2,0,0]=3 634 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [0,0,1,0,0,0|2,0,0]=3 635 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [0,0,1,0,0,0|2,0,0]=3 636 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [0,0,1,0,0,0|2,0,0]=3 637 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [0,0,1,0,0,0|2,0,0]=3 638 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [0,0,1,0,0,0|2,0,0]=3 639 B7R0.6 CC(C)CNC(C)C 2230a_100000210953_100000210206 [0,0,1,0,0,0|2,0,1]=4 640 B7R0.6 CC(C)CNC(C)C 2230a_100138425928_100000210760 [0,0,1,0,0,0|2,0,1]=4 641 B7R0.6 CC(C)CNC(C)C 34a_100000210953_100000210206 [0,0,1,0,0,0|2,0,1]=4 642 B7R0.6 CC(C)CNC(C)C 34a_100138425928_100000210624 [0,0,1,0,0,0|2,0,1]=4 643 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [0,0,1,0,0,0|2,0,1]=4 644 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [0,0,1,0,0,0|2,0,1]=4 645 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [0,0,1,0,0,0|2,0,1]=4 646 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [0,0,1,0,0,0|2,0,1]=4 647 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,0,1,0,0,0|2,0,0]=3 648 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,0,1,0,0,0|2,0,0]=3 649 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,0,1,0,0,0|2,0,0]=3 650 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,0,1,0,0,0|2,0,0]=3 651 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,0,1,0,0,0|2,0,0]=3 652 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,0,1,0,0,0|1,0,2]=4 653 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,0,1,0,0,0|1,0,2]=4 654 B7R0.6 CC(C)NC[N+](=O)[O-] 34a_100138425928_100000761209 [0,0,1,0,0,0|3,0,0]=4 655 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,0,1,0,0,0|2,0,0]=3 656 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,0,1,0,0,0|1,0,0]=2 657 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,0,1,0,0,0|2,0,0]=3 658 B7R0.6 CC(C)OCN(C)C 2230a_100102631434_100000709892 [0,0,1,0,0,0|3,0,0]=4 659 B7R0.6 CC(C)OCN(C)C 269982a_100102631434_100000709892 [0,0,1,0,0,0|3,0,0]=4 660 B7R0.6 CC(C)OC[C@@H](C)Cl 34a_100016084084_100000210206 [0,0,1,0,0,0|2,0,1]=4 661 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [0,0,1,0,0,0|2,0,1]=4 662 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,0,1,0,0,0|1,0,2]=4 663 B7R0.6 CC(C)OC[N+](=O)[O-] 34a_100000212225_100000761209 [0,0,1,0,0,0|3,0,0]=4 664 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,0,1,0,0,0|2,0,0]=3 665 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,0,1,0,0,0|2,0,0]=3 666 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,0,1,0,0,0|1,0,0]=2 667 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,0,1,0,0,0|2,0,0]=3 668 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,0,1,0,0,0|2,0,0]=3 669 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,0,1,0,0,0|1,0,2]=4 670 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,0,1,0,0,0|1,0,2]=4 671 B7R0.6 CC(C)SC[N+](=O)[O-] 62a_100000210206_100000761209 [0,0,1,0,0,0|3,0,0]=4 672 B7R0.6 CC(F)COC(C)C 34a_100015925927_100000210206 [0,0,1,0,0,0|2,0,1]=4 673 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [0,0,1,0,0,0|1,0,2]=4 674 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [0,0,1,0,0,0|1,0,2]=4 675 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,0,1,0,0,0|1,0,2]=4 676 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,0,1,0,0,0|1,0,2]=4 677 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,0,1,0,0,0|1,0,2]=4 678 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,0,1,0,0,0|1,0,2]=4 679 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,0,1,0,0,0|1,0,2]=4 680 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,0,1,0,0,0|1,0,2]=4 681 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,0,1,0,0,0|1,0,2]=4 682 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,0,1,0,0,0|2,0,0]=3 683 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,0,1,0,0,0|2,0,0]=3 684 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,0,1,0,0,0|2,0,0]=3 685 B7R0.6 CN(C)CCN(C)C 269982a_100000225618_200000210301 [0,0,1,0,0,0|3,0,0]=4 686 B7R0.6 CN(C)CCN(C)C 269982a_100102631434_100000755713 [0,0,1,0,0,0|3,0,0]=4 687 B7R0.6 CN(C)CCN(C)[13CH3] 269982a_100000225618_200025704644 [0,0,1,0,0,0|3,0,0]=4 688 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,0,1,0,0,0|2,0,0]=3 689 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,0,1,0,0,0|1,0,0]=2 690 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,0,1,0,0,0|2,0,1]=4 691 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [0,0,1,0,0,0|3,0,0]=4 692 B7R0.6 [13CH3]C(=O)COC(F)F 1458a_200000719455_200025704644 [0,0,1,0,0,0|3,0,0]=4 693 B7R0.6 [13CH3]C(=O)CSC(F)F 1458a_114828291038_200025704644 [0,0,1,0,0,0|3,0,0]=4 694 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [0,0,0,0,1,0|1,0,2]=4 695 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [0,0,0,0,1,0|1,0,2]=4 696 B7R1.2 CN1CC[C@@H](C1)F 2230a_100015203821_200000210301 [0,0,0,0,1,0|2,0,1]=4 697 B7R1.2 CN1CC[C@@H](C1)F 269982a_100015203821_200000210301 [0,0,0,0,1,0|2,0,1]=4 698 B7R1.2 CN1CC[C@@H](C1)F 34a_100015203821_200000210301 [0,0,0,0,1,0|2,0,1]=4 699 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,0,0,0,1,0|2,0,0]=3 700 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,0,0,0,1,0|2,0,0]=3 701 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,0,0,0,1,0|2,0,0]=3 702 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,0,0,0,1,0|2,0,0]=3 703 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,0,0,0,1,0|2,0,0]=3 704 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,0,0,0,1,0|2,0,0]=3 705 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,0,0,0,1,0|2,0,0]=3 706 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [0,0,0,0,1,0|1,0,2]=4 707 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [0,0,0,0,1,0|1,0,2]=4 708 B7R1.2 [13CH3]N1CC[C@@H](C1)F 2230a_100015203821_200025704644 [0,0,0,0,1,0|2,0,1]=4 709 B7R1.2 [13CH3]N1CC[C@@H](C1)F 269982a_100015203821_200025704644 [0,0,0,0,1,0|2,0,1]=4 710 B7R1.2 [13CH3]N1CC[C@@H](C1)F 34a_100015203821_200025704644 [0,0,0,0,1,0|2,0,1]=4 711 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,0,0,0,1,0|2,0,0]=3 712 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [0,0,0,0,0,1|2,0,0]=3 713 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [0,0,0,0,0,1|2,0,0]=3 714 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [0,0,0,0,0,1|2,0,0]=3 715 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [0,0,0,0,0,1|2,0,0]=3 716 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [0,0,0,0,0,1|2,0,0]=3 717 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [0,0,0,0,0,1|2,0,0]=3 718 B9R1.49 CN1CCCC(CC1)O 2230a_100015186869_200000210301 [0,0,0,0,0,1|1,0,2]=4 719 B9R1.49 CN1CCCC(CC1)O 269982a_100015186869_200000210301 [0,0,0,0,0,1|1,0,2]=4 720 B9R1.49 CN1CCCN(CC1)C 2230a_100000211313_200000210301 [0,0,0,0,0,1|3,0,0]=4 721 B9R1.49 CN1CCCN(CC1)C 269982a_100000211313_200000210301 [0,0,0,0,0,1|3,0,0]=4 722 B9R1.49 CN1CCCN(CC1)[13CH3] 2230a_100000211313_200025704644 [0,0,0,0,0,1|3,0,0]=4 723 B9R1.49 CN1CCCN(CC1)[13CH3] 269982a_100000211313_200025704644 [0,0,0,0,0,1|3,0,0]=4 724 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,0,0,0,1|1,0,0]=2 725 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,0,0,0,1|1,0,0]=2 726 B9R1.49 [13CH3]N1CCCC(CC1)O 2230a_100015186869_200025704644 [0,0,0,0,0,1|1,0,2]=4 727 B9R1.49 [13CH3]N1CCCC(CC1)O 269982a_100015186869_200025704644 [0,0,0,0,0,1|1,0,2]=4 728 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,0,0,0,1|1,0,0]=2 729 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,0,0,0,1|1,0,0]=2 730 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,0,1,0,0,0|0,0,2]=4 731 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [1,0,1,0,0,0|0,0,2]=4 732 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [1,0,1,0,0,0|0,0,2]=4 733 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,1,0,0,0|0,0,2]=4 734 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,0,1,0,0,0|0,0,2]=4 735 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,0,1,0,0,0|0,0,2]=4 736 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [1,0,1,0,0,0|1,0,1]=4 737 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [1,0,1,0,0,0|1,0,1]=4 738 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [1,0,1,0,0,0|1,0,1]=4 739 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [1,0,1,0,0,0|1,0,1]=4 740 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [1,0,1,0,0,0|1,0,1]=4 741 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [1,0,1,0,0,0|1,0,1]=4 742 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [1,0,1,0,0,0|1,0,1]=4 743 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [1,0,1,0,0,0|1,0,1]=4 744 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,0,1,0,0,0|0,0,2]=4 745 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [1,0,1,0,0,0|2,0,0]=4 746 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [1,0,1,0,0,0|1,0,1]=4 747 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [1,0,1,0,0,0|1,0,1]=4 748 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,1,0,0,0|0,0,2]=4 749 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [1,0,1,0,0,0|1,0,1]=4 750 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [1,0,1,0,0,0|1,0,1]=4 751 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,0,1,0,0,0|1,0,0]=3 752 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,0,1,0,0,0|1,0,0]=3 753 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,0,1,0,0,0|1,0,0]=3 754 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,0,1,0,0,0|1,0,0]=3 755 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,0,1,0,0,0|1,0,0]=3 756 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,0,1,0,0,0|1,0,0]=3 757 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,0,1,0,0,0|1,0,0]=3 758 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,0,1,0,0,0|1,0,0]=3 759 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,0,1,0,0,0|1,0,0]=3 760 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,0,1,0,0,0|1,0,0]=3 761 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,0,1,0,0,0|1,0,0]=3 762 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,0,1,0,0,0|1,0,0]=3 763 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,0,1,0,0,0|2,0,0]=4 764 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,0,1,0,0,0|1,0,1]=4 765 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,0,1,0,0,0|1,0,1]=4 766 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,0,1,0,0,0|1,0,1]=4 767 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,0,1,0,0,0|1,0,1]=4 768 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,0,1,0,0,0|1,0,1]=4 769 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,0,1,0,0,0|1,0,1]=4 770 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,0,1,0,0,0|1,0,1]=4 771 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,0,1,0,0,0|1,0,1]=4 772 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,0,1,0,0,0|1,0,1]=4 773 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,0,1,0,0,0|1,0,1]=4 774 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,0,1,0,0,0|1,0,1]=4 775 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [1,0,1,0,0,0|2,0,0]=4 776 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [1,0,1,0,0,0|2,0,0]=4 777 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [1,0,1,0,0,0|2,0,0]=4 778 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,1,0,0,0|0,0,0]=2 779 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,1,0,0,0|0,0,0]=2 780 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,0,1,0,0,0|1,0,0]=3 781 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,1,0,0,0|1,0,0]=3 782 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,0,1,0,0,0|1,0,0]=3 783 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,0,1,0,0,0|1,0,0]=3 784 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,0,1,0,0,0|1,0,0]=3 785 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,0,1,0,0,0|1,0,0]=3 786 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,0,1,0,0,0|1,0,1]=4 787 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,0,1,0,0,0|1,0,1]=4 788 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,0,1,0,0,0|1,0,1]=4 789 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,0,1,0,0,0|1,0,1]=4 790 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,0,1,0,0,0|1,0,1]=4 791 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,0,1,0,0,0|1,0,1]=4 792 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,0,1,0,0,0|1,0,1]=4 793 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,0,1,0,0,0|1,0,1]=4 794 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,0,1,0,0,0|1,0,1]=4 795 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,0,1,0,0,0|1,0,1]=4 796 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,0,1,0,0,0|1,0,1]=4 797 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,0,1,0,0,0|1,0,1]=4 798 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,0,1,0,0,0|1,0,1]=4 799 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,0,1,0,0,0|1,0,1]=4 800 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,0,1,0,0,0|1,0,1]=4 801 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,0,1,0,0,0|1,0,1]=4 802 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,0,1,0,0,0|1,0,1]=4 803 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,0,1,0,0,0|1,0,1]=4 804 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,0,1,0,0,0|1,0,1]=4 805 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,0,1,0,0,0|1,0,1]=4 806 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,0,1,0,0,0|1,0,1]=4 807 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,0,1,0,0,0|1,0,1]=4 808 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,0,1,0,0,0|1,0,1]=4 809 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [1,0,1,0,0,0|1,0,0]=3 810 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [1,0,1,0,0,0|1,0,0]=3 811 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [1,0,1,0,0,0|2,0,0]=4 812 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [1,0,1,0,0,0|2,0,0]=4 813 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [1,0,1,0,0,0|1,0,1]=4 814 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [1,0,1,0,0,0|1,0,1]=4 815 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [1,0,1,0,0,0|1,0,1]=4 816 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [1,0,1,0,0,0|1,0,1]=4 817 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [1,0,1,0,0,0|1,0,1]=4 818 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [1,0,1,0,0,0|1,0,1]=4 819 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [1,0,1,0,0,0|1,0,1]=4 820 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [1,0,1,0,0,0|1,0,1]=4 821 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,1,0,0,0|1,0,0]=3 822 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,1,0,0,0|1,0,0]=3 823 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,1,0,0,0|1,0,0]=3 824 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,0,1,0,0,0|2,0,0]=4 825 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,0,1,0,0,0|2,0,0]=4 826 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,0,1,0,0,0|2,0,0]=4 827 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,0,1,0,0,0|2,0,0]=4 828 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,0,1,0,0,0|2,0,0]=4 829 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,0,1,0,0,0|2,0,0]=4 830 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,0,1,0,0,0|2,0,0]=4 831 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,0,1,0,0,0|2,0,0]=4 832 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,0,1,0,0,0|1,0,1]=4 833 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,0,1,0,0,0|1,0,1]=4 834 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,0,1,0,0,0|1,0,1]=4 835 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,0,1,0,0,0|1,0,1]=4 836 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,0,1,0,0,0|1,0,1]=4 837 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,0,1,0,0,0|1,0,1]=4 838 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,0,1,0,0,0|1,0,1]=4 839 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,0,1,0,0,0|1,0,1]=4 840 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,0,1,0,0,0|1,0,1]=4 841 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,0,1,0,0,0|1,0,1]=4 842 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,0,1,0,0,0|1,0,1]=4 843 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,0,1,0,0,0|1,0,1]=4 844 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,0,1,0,0,0|1,0,1]=4 845 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,0,1,0,0,0|1,0,1]=4 846 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,0,1,0,0,0|1,0,1]=4 847 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,0,1,0,0,0|1,0,1]=4 848 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,0,1,0,0,0|2,0,0]=4 849 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,0,1,0,0,0|2,0,0]=4 850 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,0,1,0,0,0|2,0,0]=4 851 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,0,1,0,0,0|2,0,0]=4 852 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,0,1,0,0,0|2,0,0]=4 853 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,0,1,0,0,0|2,0,0]=4 854 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,0,1,0,0,0|2,0,0]=4 855 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,0,1,0,0,0|2,0,0]=4 856 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,0,1,0,0,0|2,0,0]=4 857 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,0,1,0,0,0|2,0,0]=4 858 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,0,1,0,0,0|2,0,0]=4 859 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,0,1,0,0,0|2,0,0]=4 860 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,0,1,0,0,0|2,0,0]=4 861 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,0,1,0,0,0|2,0,0]=4 862 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,0,1,0,0,0|2,0,0]=4 863 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,0,1,0,0,0|2,0,0]=4 864 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,0,1,0,0,0|2,0,0]=4 865 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [1,0,1,0,0,0|1,0,1]=4 866 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [1,0,1,0,0,0|1,0,1]=4 867 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [1,0,1,0,0,0|1,0,1]=4 868 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,0,1,0,0,0|2,0,0]=4 869 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,0,1,0,0,0|2,0,0]=4 870 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,0,1,0,0,0|2,0,0]=4 871 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,0,1,0,0,0|2,0,0]=4 872 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,0,1,0,0,0|2,0,0]=4 873 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,0,1,0,0,0|2,0,0]=4 874 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,0,1,0,0,0|2,0,0]=4 875 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [1,0,1,0,0,0|1,0,1]=4 876 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [1,0,1,0,0,0|1,0,1]=4 877 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,0,1,0,0,0|2,0,0]=4 878 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,0,1,0,0,0|2,0,0]=4 879 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,0,1,0,0,0|2,0,0]=4 880 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,0,1,0,0,0|2,0,0]=4 881 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [1,0,1,0,0,0|2,0,0]=4 882 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [1,0,1,0,0,0|1,0,1]=4 883 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,0,1,0,0,0|2,0,0]=4 884 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,0,1,0,0,0|2,0,0]=4 885 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [1,0,1,0,0,0|1,0,1]=4 886 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [1,0,1,0,0,0|1,0,1]=4 887 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,0,1,0,0,0|2,0,0]=4 888 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [1,0,1,0,0,0|1,0,1]=4 889 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [1,0,1,0,0,0|1,0,1]=4 890 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,0,1,0,0,0|2,0,0]=4 891 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,0,1,0,0,0|2,0,0]=4 892 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,0,1,0,0,0|2,0,0]=4 893 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,0,1,0,0,0|0,0,2]=4 894 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,0,1,0,0,0|0,0,2]=4 895 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,0,1,0,0,0|0,0,2]=4 896 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,1,0,0,0|0,0,2]=4 897 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [1,0,1,0,0,0|1,0,1]=4 898 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,0,1,0,0,0|2,0,0]=4 899 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,0,1,0,0,0|2,0,0]=4 900 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,0,1,0,0,0|2,0,0]=4 901 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,0,1,0,0,0|2,0,0]=4 902 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,0,1,0,0,0|2,0,0]=4 903 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,0,1,0,0,0|2,0,0]=4 904 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,0,1,0,0,0|2,0,0]=4 905 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,0,1,0,0,0|2,0,0]=4 906 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,0,1,0,0,0|2,0,0]=4 907 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,0,1,0,0,0|2,0,0]=4 908 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,0,1,0,0,0|2,0,0]=4 909 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,0,1,0,0,0|2,0,0]=4 910 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,0,1,0,0,0|2,0,0]=4 911 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,0,1,0,0,0|2,0,0]=4 912 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,0,1,0,0,0|2,0,0]=4 913 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,1,0,0,0|0,0,2]=4 914 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,1,0,0,0|0,0,2]=4 915 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,1,0,0,0|0,0,2]=4 916 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [1,0,1,0,0,0|1,0,1]=4 917 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [1,0,1,0,0,0|1,0,1]=4 918 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [1,0,1,0,0,0|1,0,1]=4 919 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [1,0,1,0,0,0|1,0,1]=4 920 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [1,0,1,0,0,0|1,0,1]=4 921 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [1,0,1,0,0,0|1,0,1]=4 922 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [1,0,1,0,0,0|1,0,1]=4 923 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [1,0,1,0,0,0|1,0,1]=4 924 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [1,0,1,0,0,0|1,0,1]=4 925 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [1,0,1,0,0,0|1,0,1]=4 926 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [1,0,1,0,0,0|1,0,1]=4 927 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [1,0,1,0,0,0|1,0,1]=4 928 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [1,0,1,0,0,0|1,0,1]=4 929 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,0,1,0,0,0|0,0,2]=4 930 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,0,1,0,0,0|1,0,1]=4 931 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,0,1,0,0,0|1,0,1]=4 932 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,1,0,0,0|1,0,0]=3 933 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,1,0,0,0|1,0,0]=3 934 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,1,0,0,0|1,0,0]=3 935 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,1,0,0,0|1,0,0]=3 936 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,1,0,0,0|1,0,0]=3 937 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,1,0,0,0|1,0,0]=3 938 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,0,1,0,0,0|2,0,0]=4 939 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,1,0,0,0|2,0,0]=4 940 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,1,0,0,0|2,0,0]=4 941 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,1,0,0,0|2,0,0]=4 942 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,1,0,0,0|2,0,0]=4 943 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,1,0,0,0|2,0,0]=4 944 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,1,0,0,0|2,0,0]=4 945 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,1,0,0,0|2,0,0]=4 946 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,1,0,0,0|2,0,0]=4 947 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,0,1,0,0,0|2,0,0]=4 948 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,0,1,0,0,0|1,0,0]=3 949 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,0,1,0,0,0|1,0,0]=3 950 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,0,1,0,0,0|1,0,0]=3 951 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,0,1,0,0,0|1,0,0]=3 952 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,0,1,0,0,0|1,0,0]=3 953 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,0,1,0,0,0|1,0,0]=3 954 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,0,1,0,0,0|1,0,0]=3 955 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [1,0,1,0,0,0|2,0,0]=4 956 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [1,0,1,0,0,0|2,0,0]=4 957 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,0,1,0,0,0|1,0,0]=3 958 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,0,1,0,0,0|1,0,0]=3 959 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,0,1,0,0,0|2,0,0]=4 960 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,0,1,0,0,0|2,0,0]=4 961 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,0,1,0,0,0|2,0,0]=4 962 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,1,0,0,0|0,0,2]=4 963 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,1,0,0,0|0,0,2]=4 964 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,1,0,0,0|0,0,2]=4 965 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [1,0,1,0,0,0|1,0,1]=4 966 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [1,0,1,0,0,0|2,0,0]=4 967 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,0,1,0,0,0|0,0,2]=4 968 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,0,1,0,0,0|0,0,2]=4 969 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,1,0,0,0|0,0,2]=4 970 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,1,0,0,0|0,0,2]=4 971 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,1,0,0,0|0,0,0]=2 972 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,1,0,0,0|0,0,0]=2 973 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,1,0,0,0|0,0,0]=2 974 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,0,1,0,0,0|1,0,1]=4 975 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,0,1,0,0,0|1,0,1]=4 976 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,0,1,0,0,0|1,0,1]=4 977 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,0,1,0,0,0|1,0,1]=4 978 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,0,1,0,0,0|1,0,1]=4 979 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,0,1,0,0,0|1,0,1]=4 980 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,1,0,0,0|1,0,0]=3 981 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,1,0,0,0|1,0,0]=3 982 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,1,0,0,0|1,0,0]=3 983 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,1,0,0,0|1,0,0]=3 984 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,0,1,0,0,0|1,0,1]=4 985 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,0,1,0,0,0|1,0,1]=4 986 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,0,1,0,0,0|1,0,1]=4 987 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,0,1,0,0,0|1,0,1]=4 988 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,0,1,0,0,0|1,0,1]=4 989 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,0,1,0,0,0|1,0,1]=4 990 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,1,0,0,0|2,0,0]=4 991 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,1,0,0,0|2,0,0]=4 992 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,1,0,0,0|2,0,0]=4 993 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,0,1,0,0,0|1,0,1]=4 994 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,0,1,0,0,0|1,0,1]=4 995 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,0,1,0,0,0|1,0,1]=4 996 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,0,1,0,0,0|1,0,1]=4 997 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,1,0,0,0|2,0,0]=4 998 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,1,0,0,0|1,0,0]=3 999 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,1,0,0,0|1,0,0]=3 1000 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,1,0,0,0|2,0,0]=4 1001 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,1,0,0,0|1,0,0]=3 1002 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,1,0,0,0|2,0,0]=4 1003 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,0,1,0,0,0|1,0,1]=4 1004 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,0,1,0,0,0|1,0,1]=4 1005 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,1,0,0,0|1,0,0]=3 1006 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,1,0,0,0|2,0,0]=4 1007 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,1,0,0,0|2,0,0]=4 1008 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,1,0,0,0|1,0,0]=3 1009 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,1,0,0,0|2,0,0]=4 1010 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,1,0,0,0|2,0,0]=4 1011 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,0,1,0,0,0|1,0,1]=4 1012 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,0,1,0,0,0|1,0,1]=4 1013 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [1,0,1,0,0,0|2,0,0]=4 1014 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,1,0,0,0|1,0,0]=3 1015 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,1,0,0,0|2,0,0]=4 1016 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,1,0,0,0|2,0,0]=4 1017 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,1,0,0,0|2,0,0]=4 1018 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,0,1,0,0,0|1,0,0]=3 1019 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,0,1,0,0,0|1,0,0]=3 1020 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,0,1,0,0,0|1,0,0]=3 1021 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,0,1,0,0,0|1,0,0]=3 1022 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,0,1,0,0,0|2,0,0]=4 1023 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,0,1,0,0,0|2,0,0]=4 1024 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,0,1,0,0,0|2,0,0]=4 1025 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,0,1,0,0,0|2,0,0]=4 1026 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [1,0,1,0,0,0|2,0,0]=4 1027 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,1,0,0,0|2,0,0]=4 1028 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [1,0,1,0,0,0|2,0,0]=4 1029 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [1,0,1,0,0,0|2,0,0]=4 1030 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,1,0,0,0|1,0,0]=3 1031 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,1,0,0,0|1,0,0]=3 1032 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,1,0,0,0|1,0,0]=3 1033 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,1,0,0,0|1,0,0]=3 1034 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,1,0,0,0|2,0,0]=4 1035 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,1,0,0,0|2,0,0]=4 1036 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,1,0,0,0|2,0,0]=4 1037 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,1,0,0,0|1,0,0]=3 1038 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,0,1,0,0,0|2,0,0]=4 1039 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,0,1,0,0,0|1,0,0]=3 1040 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,0,1,0,0,0|1,0,0]=3 1041 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,0,1,0,0,0|1,0,0]=3 1042 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,0,1,0,0,0|2,0,0]=4 1043 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [1,0,1,0,0,0|2,0,0]=4 1044 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [1,0,1,0,0,0|2,0,0]=4 1045 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [1,0,1,0,0,0|2,0,0]=4 1046 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [1,0,1,0,0,0|2,0,0]=4 1047 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [1,0,1,0,0,0|2,0,0]=4 1048 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [1,0,1,0,0,0|2,0,0]=4 1049 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,0,1,0,0,0|2,0,0]=4 1050 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [1,0,1,0,0,0|2,0,0]=4 1051 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,1,0,0,0|2,0,0]=4 1052 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [1,0,1,0,0,0|2,0,0]=4 1053 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [1,0,1,0,0,0|2,0,0]=4 1054 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [1,0,1,0,0,0|2,0,0]=4 1055 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,1,0,0,0|1,0,0]=3 1056 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,1,0,0,0|1,0,0]=3 1057 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,1,0,0,0|1,0,0]=3 1058 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,1,0,0,0|1,0,0]=3 1059 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,1,0,0,0|2,0,0]=4 1060 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,1,0,0,0|2,0,0]=4 1061 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,1,0,0,0|1,0,0]=3 1062 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,0,1,0,0,0|1,0,0]=3 1063 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,0,1,0,0,0|1,0,0]=3 1064 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,0,1,0,0,0|2,0,0]=4 1065 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,0,1,0,0,0|2,0,0]=4 1066 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [1,0,1,0,0,0|2,0,0]=4 1067 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [1,0,1,0,0,0|2,0,0]=4 1068 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [1,0,1,0,0,0|2,0,0]=4 1069 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [1,0,1,0,0,0|2,0,0]=4 1070 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [1,0,1,0,0,0|2,0,0]=4 1071 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [1,0,1,0,0,0|2,0,0]=4 1072 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [1,0,1,0,0,0|2,0,0]=4 1073 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,0,1,0,0,0|2,0,0]=4 1074 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,0,1,0,0,0|2,0,0]=4 1075 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,1,0,0,0|2,0,0]=4 1076 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,1,0,0,0|2,0,0]=4 1077 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [1,0,1,0,0,0|2,0,0]=4 1078 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [1,0,1,0,0,0|2,0,0]=4 1079 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [1,0,1,0,0,0|2,0,0]=4 1080 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [1,0,1,0,0,0|2,0,0]=4 1081 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [1,0,1,0,0,0|2,0,0]=4 1082 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,0,1,0,0,0|2,0,0]=4 1083 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,0,1,0,0,0|1,0,1]=4 1084 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,1,0,0,0|2,0,0]=4 1085 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,1,0,0,0|2,0,0]=4 1086 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,1,0,0,0|2,0,0]=4 1087 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,1,0,0,0|2,0,0]=4 1088 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,0,1,0,0,0|1,0,1]=4 1089 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,0,1,0,0,0|1,0,1]=4 1090 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,0,1,0,0,0|1,0,1]=4 1091 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,0,1,0,0,0|1,0,1]=4 1092 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,0,1,0,0,0|1,0,1]=4 1093 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,0,1,0,0,0|1,0,1]=4 1094 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [1,0,1,0,0,0|2,0,0]=4 1095 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [1,0,1,0,0,0|2,0,0]=4 1096 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [1,0,1,0,0,0|2,0,0]=4 1097 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [1,0,1,0,0,0|2,0,0]=4 1098 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [1,0,1,0,0,0|2,0,0]=4 1099 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [1,0,1,0,0,0|2,0,0]=4 1100 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [1,0,1,0,0,0|2,0,0]=4 1101 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,0,1,0,0,0|2,0,0]=4 1102 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,0,1,0,0,0|2,0,0]=4 1103 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,0,1,0,0,0|2,0,0]=4 1104 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,0,1,0,0,0|2,0,0]=4 1105 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,0,1,0,0,0|2,0,0]=4 1106 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,0,1,0,0,0|2,0,0]=4 1107 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,0,1,0,0,0|2,0,0]=4 1108 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,0,1,0,0,0|2,0,0]=4 1109 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,0,1,0,0,0|2,0,0]=4 1110 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [1,0,1,0,0,0|2,0,0]=4 1111 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [1,0,1,0,0,0|2,0,0]=4 1112 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,1,0,0,0|2,0,0]=4 1113 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,1,0,0,0|2,0,0]=4 1114 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,0,1,0,0,0|2,0,0]=4 1115 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,0,1,0,0,0|2,0,0]=4 1116 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,0,1,0,0,0|2,0,0]=4 1117 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,0,1,0,0,0|2,0,0]=4 1118 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,0,1,0,0,0|2,0,0]=4 1119 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,0,1,0,0,0|2,0,0]=4 1120 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,0,1,0,0,0|2,0,0]=4 1121 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,0,1,0,0,0|1,0,1]=4 1122 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,0,1,0,0,0|1,0,1]=4 1123 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,0,1,0,0,0|1,0,1]=4 1124 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,0,1,0,0,0|1,0,1]=4 1125 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,0,1,0,0,0|1,0,1]=4 1126 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,0,1,0,0,0|1,0,1]=4 1127 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,0,1,0,0,0|1,0,1]=4 1128 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,0,1,0,0,0|1,0,1]=4 1129 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,0,1,0,0,0|1,0,1]=4 1130 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,0,1,0,0,0|1,0,1]=4 1131 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,0,1,0,0,0|1,0,1]=4 1132 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,0,1,0,0,0|1,0,1]=4 1133 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,0,1,0,0,0|1,0,1]=4 1134 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,0,1,0,0,0|1,0,1]=4 1135 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [1,0,1,0,0,0|2,0,0]=4 1136 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,0,1,0,0,0|1,0,1]=4 1137 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,0,1,0,0,0|1,0,1]=4 1138 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,0,1,0,0,0|1,0,1]=4 1139 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,0,1,0,0,0|1,0,1]=4 1140 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,0,1,0,0,0|1,0,1]=4 1141 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,0,1,0,0,0|1,0,1]=4 1142 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,0,1,0,0,0|1,0,1]=4 1143 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,0,1,0,0,0|1,0,1]=4 1144 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,0,1,0,0,0|1,0,1]=4 1145 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,0,1,0,0,0|1,0,1]=4 1146 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,1,0,0,0|1,0,1]=4 1147 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,1,0,0,0|1,0,1]=4 1148 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,1,0,0,0|1,0,1]=4 1149 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,1,0,0,0|1,0,1]=4 1150 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,1,0,0,0|1,0,0]=3 1151 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,1,0,0,0|1,0,0]=3 1152 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,1,0,0,0|1,0,0]=3 1153 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [1,0,1,0,0,0|2,0,0]=4 1154 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,1,0,0,0|1,0,0]=3 1155 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,1,0,0,0|1,0,0]=3 1156 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,1,0,0,0|1,0,0]=3 1157 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,0,1,0,0,0|2,0,0]=4 1158 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,0,1,0,0,0|2,0,0]=4 1159 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,1,0,0,0|1,0,0]=3 1160 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,1,0,0,0|1,0,0]=3 1161 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [1,0,1,0,0,0|2,0,0]=4 1162 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [1,0,1,0,0,0|2,0,0]=4 1163 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,0,1,0,0,0|1,0,0]=3 1164 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,0,1,0,0,0|1,0,1]=4 1165 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,1,0,0,0|1,0,0]=3 1166 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,1,0,0,0|1,0,0]=3 1167 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,0,1,0,0,0|1,0,1]=4 1168 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [1,0,1,0,0,0|2,0,0]=4 1169 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [1,0,1,0,0,0|2,0,0]=4 1170 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [1,0,1,0,0,0|2,0,0]=4 1171 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,0,1,0,0,0|2,0,0]=4 1172 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [1,0,1,0,0,0|2,0,0]=4 1173 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [1,0,1,0,0,0|2,0,0]=4 1174 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,0,1,0,0,0|2,0,0]=4 1175 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,0,1,0,0,0|2,0,0]=4 1176 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [1,0,1,0,0,0|2,0,0]=4 1177 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [1,0,1,0,0,0|2,0,0]=4 1178 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [1,0,1,0,0,0|2,0,0]=4 1179 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [1,0,1,0,0,0|2,0,0]=4 1180 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,0,1,0,0,0|2,0,0]=4 1181 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,0,1,0,0,0|2,0,0]=4 1182 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,0,1,0,0,0|2,0,0]=4 1183 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,0,1,0,0,0|2,0,0]=4 1184 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,0,1,0,0,0|2,0,0]=4 1185 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,0,1,0,0,0|2,0,0]=4 1186 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,0,1,0,0,0|2,0,0]=4 1187 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,0,1,0,0,0|2,0,0]=4 1188 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,0,1,0,0,0|2,0,0]=4 1189 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,0,1,0,0,0|2,0,0]=4 1190 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,0,1,0,0,0|2,0,0]=4 1191 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,0,1,0,0,0|2,0,0]=4 1192 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,0,1,0,0,0|2,0,0]=4 1193 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,0,1,0,0,0|2,0,0]=4 1194 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,0,1,0,0,0|2,0,0]=4 1195 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,0,1,0,0,0|2,0,0]=4 1196 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,0,1,0,0,0|2,0,0]=4 1197 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,0,1,0,0,0|2,0,0]=4 1198 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,0,1,0,0,0|2,0,0]=4 1199 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,0,1,0,0,0|2,0,0]=4 1200 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,0,1,0,0,0|2,0,0]=4 1201 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,0,1,0,0,0|2,0,0]=4 1202 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,0,1,0,0,0|2,0,0]=4 1203 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [1,0,1,0,0,0|2,0,0]=4 1204 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [1,0,1,0,0,0|2,0,0]=4 1205 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [1,0,1,0,0,0|2,0,0]=4 1206 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [1,0,1,0,0,0|2,0,0]=4 1207 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,0,1,0,0,0|2,0,0]=4 1208 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,0,1,0,0,0|2,0,0]=4 1209 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,0,1,0,0,0|2,0,0]=4 1210 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,0,1,0,0,0|2,0,0]=4 1211 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,0,1,0,0,0|2,0,0]=4 1212 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,0,1,0,0,0|2,0,0]=4 1213 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,0,1,0,0,0|2,0,0]=4 1214 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [1,0,1,0,0,0|2,0,0]=4 1215 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [1,0,1,0,0,0|2,0,0]=4 1216 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [1,0,1,0,0,0|2,0,0]=4 1217 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [1,0,1,0,0,0|2,0,0]=4 1218 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [1,0,1,0,0,0|2,0,0]=4 1219 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [1,0,1,0,0,0|2,0,0]=4 1220 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [1,0,1,0,0,0|2,0,0]=4 1221 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [1,0,1,0,0,0|2,0,0]=4 1222 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [1,0,1,0,0,0|2,0,0]=4 1223 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [1,0,1,0,0,0|2,0,0]=4 1224 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [1,0,1,0,0,0|2,0,0]=4 1225 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [1,0,1,0,0,0|2,0,0]=4 1226 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [1,0,1,0,0,0|2,0,0]=4 1227 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,0,1,0,0,0|1,0,0]=3 1228 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,0,1,0,0,0|1,0,0]=3 1229 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [1,0,1,0,0,0|2,0,0]=4 1230 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [1,0,1,0,0,0|2,0,0]=4 1231 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,0,1,0,0,0|1,0,0]=3 1232 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,0,1,0,0,0|1,0,0]=3 1233 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,0,1,0,0,0|2,0,0]=4 1234 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,0,1,0,0,0|2,0,0]=4 1235 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [1,0,1,0,0,0|2,0,0]=4 1236 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [1,0,1,0,0,0|2,0,0]=4 1237 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,0,1,0,0,0|2,0,0]=4 1238 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,0,1,0,0,0|2,0,0]=4 1239 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [1,0,1,0,0,0|2,0,0]=4 1240 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,0,1,0,0,0|2,0,0]=4 1241 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,0,1,0,0,0|2,0,0]=4 1242 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,0,1,0,0,0|2,0,0]=4 1243 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,0,1,0,0,0|2,0,0]=4 1244 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,0,1,0,0,0|1,0,0]=3 1245 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,0,1,0,0,0|1,0,0]=3 1246 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [0,1,1,0,0,0|0,0,1]=3 1247 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [0,1,1,0,0,0|0,0,1]=3 1248 B8R0.1 C#CCC(=O)CCCF 1458a_100011220946_100011934791 [0,1,1,0,0,0|1,0,1]=4 1249 B8R0.1 C#CCC(=O)CCCO 1458a_100011220946_100011215043 [0,1,1,0,0,0|1,0,1]=4 1250 B8R0.1 C#CCC(=O)CCOC 1458a_100000749529_100000184674 [0,1,1,0,0,0|1,0,1]=4 1251 B8R0.1 C#CCC(=O)CCOC 1458a_100011220946_100000233755 [0,1,1,0,0,0|1,0,1]=4 1252 B8R0.1 C#CCC(=O)CCSC 1458a_100000174002_100000184674 [0,1,1,0,0,0|1,0,1]=4 1253 B8R0.1 C#CCC(=O)CCSC 1458a_100011220946_100000751147 [0,1,1,0,0,0|1,0,1]=4 1254 B8R0.1 C#CCC(=O)COCC 1458a_100000211967_100000184674 [0,1,1,0,0,0|1,0,1]=4 1255 B8R0.1 C#CCC(=O)CSCC 1458a_100000230394_100000184674 [0,1,1,0,0,0|1,0,1]=4 1256 B8R0.1 C#CCC(=O)NCCC 1626a_100020643023_100011220946 [0,1,1,0,0,0|1,0,1]=4 1257 B8R0.1 C#CCC(=O)NCCC 527a_100020643023_100011220946 [0,1,1,0,0,0|1,0,1]=4 1258 B8R0.1 C#CCC(C)OCC=O 34a_100000685586_200009817547 [0,1,1,0,0,0|1,0,1]=4 1259 B8R0.1 C#CCC(C)OCC=O 7a_100000685586_200015260668 [0,1,1,0,0,0|1,0,1]=4 1260 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [0,1,1,0,0,0|0,0,2]=4 1261 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [0,1,1,0,0,0|0,0,2]=4 1262 B8R0.1 C#CCCC(=O)CCF 1458a_100000692101_100011217306 [0,1,1,0,0,0|0,0,2]=4 1263 B8R0.1 C#CCCC(=O)CCO 1458a_100000692101_100000211926 [0,1,1,0,0,0|0,0,2]=4 1264 B8R0.1 C#CCCC(=O)CCO 1458a_100011216618_100000753159 [0,1,1,0,0,0|0,0,2]=4 1265 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [0,1,1,0,0,0|0,0,2]=4 1266 B8R0.1 C#CCCC(=O)CSC 1458a_100000184570_100000753159 [0,1,1,0,0,0|0,0,2]=4 1267 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [0,1,1,0,0,0|0,0,2]=4 1268 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [0,1,1,0,0,0|0,0,2]=4 1269 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [0,1,1,0,0,0|0,0,2]=4 1270 B8R0.1 C/C=C/C(C)OCC=O 34a_200102604097_200009817547 [0,1,1,0,0,0|1,0,1]=4 1271 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [0,1,1,0,0,0|0,0,2]=4 1272 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [0,1,1,0,0,0|0,0,2]=4 1273 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [0,1,1,0,0,0|0,0,2]=4 1274 B8R0.1 C/C=C/CC(=O)CSC 1458a_100000184570_100102629194 [0,1,1,0,0,0|0,0,2]=4 1275 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,1,1,0,0,0|0,0,1]=3 1276 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,1,1,0,0,0|0,0,1]=3 1277 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [0,1,1,0,0,0|1,0,1]=4 1278 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,1,1,0,0,0|1,0,1]=4 1279 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [0,1,1,0,0,0|1,0,1]=4 1280 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [0,1,1,0,0,0|1,0,1]=4 1281 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [0,1,1,0,0,0|1,0,1]=4 1282 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [0,1,1,0,0,0|1,0,1]=4 1283 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [0,1,1,0,0,0|1,0,1]=4 1284 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [0,1,1,0,0,0|1,0,1]=4 1285 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [0,1,1,0,0,0|1,0,1]=4 1286 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [0,1,1,0,0,0|1,0,1]=4 1287 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [0,1,1,0,0,0|1,0,1]=4 1288 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [0,1,1,0,0,0|1,0,1]=4 1289 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [0,1,1,0,0,0|0,0,2]=4 1290 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [0,1,1,0,0,0|0,0,2]=4 1291 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [0,1,1,0,0,0|0,0,2]=4 1292 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,1,1,0,0,0|0,0,2]=4 1293 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,1,1,0,0,0|0,0,2]=4 1294 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,1,1,0,0,0|0,0,2]=4 1295 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [0,1,1,0,0,0|0,0,2]=4 1296 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [0,1,1,0,0,0|0,0,2]=4 1297 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [0,1,1,0,0,0|0,0,2]=4 1298 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [0,1,1,0,0,0|0,0,2]=4 1299 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [0,1,1,0,0,0|1,0,0]=3 1300 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [0,1,1,0,0,0|1,0,0]=3 1301 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [0,1,1,0,0,0|1,0,0]=3 1302 B8R0.1 C=CCCC(C)OCF 34a_100000765329_100015361967 [0,1,1,0,0,0|2,0,0]=4 1303 B8R0.1 C=CCCC(C)OCF 7a_100000765329_100015361967 [0,1,1,0,0,0|2,0,0]=4 1304 B8R0.1 C=CCCN(C)CCC 2230a_100000747261_100000754431 [0,1,1,0,0,0|2,0,0]=4 1305 B8R0.1 C=CCCN(C)CCC 2230a_100020639649_100000210303 [0,1,1,0,0,0|2,0,0]=4 1306 B8R0.1 C=CCCN(C)CCC 269982a_100000747261_100000754431 [0,1,1,0,0,0|2,0,0]=4 1307 B8R0.1 C=CCCN(C)CCC 269982a_100020639649_100000210303 [0,1,1,0,0,0|2,0,0]=4 1308 B8R0.1 C=CCCN(C)CCF 2230a_100020639649_100011217306 [0,1,1,0,0,0|2,0,0]=4 1309 B8R0.1 C=CCCN(C)CCF 269982a_100020639649_100011217306 [0,1,1,0,0,0|2,0,0]=4 1310 B8R0.1 C=CCCN(C)CCO 2230a_100000210263_100000754431 [0,1,1,0,0,0|2,0,0]=4 1311 B8R0.1 C=CCCN(C)CCO 2230a_100020639649_100000211926 [0,1,1,0,0,0|2,0,0]=4 1312 B8R0.1 C=CCCN(C)CCO 269982a_100000210263_100000754431 [0,1,1,0,0,0|2,0,0]=4 1313 B8R0.1 C=CCCN(C)CCO 269982a_100020639649_100000211926 [0,1,1,0,0,0|2,0,0]=4 1314 B8R0.1 C=CCCN(C)COC 2230a_100020639649_100000766300 [0,1,1,0,0,0|2,0,0]=4 1315 B8R0.1 C=CCCN(C)COC 269982a_100020639649_100000766300 [0,1,1,0,0,0|2,0,0]=4 1316 B8R0.1 C=CCCN(C)CSC 2230a_100020639649_100011218213 [0,1,1,0,0,0|2,0,0]=4 1317 B8R0.1 C=CCCN(C)CSC 269982a_100020639649_100011218213 [0,1,1,0,0,0|2,0,0]=4 1318 B8R0.1 C=CCNC(C)CCC 2230a_100000741246_100000210623 [0,1,1,0,0,0|2,0,0]=4 1319 B8R0.1 C=CCNC(C)CCC 2230a_100020586998_100000766640 [0,1,1,0,0,0|2,0,0]=4 1320 B8R0.1 C=CCNC(C)CCC 270004a_100020586998_100000211909 [0,1,1,0,0,0|2,0,0]=4 1321 B8R0.1 C=CCNC(C)CCO 2230a_100020586998_100009893172 [0,1,1,0,0,0|2,0,0]=4 1322 B8R0.1 C=CCNC(C)COC 2230a_100020586998_100000765312 [0,1,1,0,0,0|2,0,0]=4 1323 B8R0.1 C=CCNC(C)COC 270004a_100020586998_100000749346 [0,1,1,0,0,0|2,0,0]=4 1324 B8R0.1 C=CCNC(C)CSC 270004a_100020586998_100011216314 [0,1,1,0,0,0|2,0,0]=4 1325 B8R0.1 C=CCN[C@H](C)CCO 2230a_100000706166_100000210623 [0,1,1,0,0,0|2,0,0]=4 1326 B8R0.1 C=CCN[C@H](C)CCO 34a_100000706166_100015514636 [0,1,1,0,0,0|2,0,0]=4 1327 B8R0.1 C=CCN[C@H](C)COC 2230a_100000764878_100000210623 [0,1,1,0,0,0|2,0,0]=4 1328 B8R0.1 C=CCOC(C)CCBr 34a_100012276601_100015514636 [0,1,1,0,0,0|2,0,0]=4 1329 B8R0.1 C=CCOC(C)CCC 34a_100000764384_100015514636 [0,1,1,0,0,0|2,0,0]=4 1330 B8R0.1 C=CCOC(C)CCC 34a_200000210373_100000766640 [0,1,1,0,0,0|2,0,0]=4 1331 B8R0.1 C=CCOC(C)CCC 7a_100000764384_100015514636 [0,1,1,0,0,0|2,0,0]=4 1332 B8R0.1 C=CCOC(C)CCO 34a_200000210373_100009893172 [0,1,1,0,0,0|2,0,0]=4 1333 B8R0.1 C=CCOC(C)COC 34a_200000210373_100000765312 [0,1,1,0,0,0|2,0,0]=4 1334 B8R0.1 C=CCO[C@H](C)COC 34a_100011934205_100015514636 [0,1,1,0,0,0|2,0,0]=4 1335 B8R0.1 C=CCSC(C)CCC 62a_100000210623_100000766640 [0,1,1,0,0,0|2,0,0]=4 1336 B8R0.1 C=CCSC(C)CCC 62a_100000766640_100000210623 [0,1,1,0,0,0|2,0,0]=4 1337 B8R0.1 C=CCSC(C)CCO 62a_100000210623_100009893172 [0,1,1,0,0,0|2,0,0]=4 1338 B8R0.1 C=CCSC(C)CCO 62a_100009893172_100000210623 [0,1,1,0,0,0|2,0,0]=4 1339 B8R0.1 C=CCSC(C)COC 62a_100000210623_100000765312 [0,1,1,0,0,0|2,0,0]=4 1340 B8R0.1 C=CCSC(C)COC 62a_100000765312_100000210623 [0,1,1,0,0,0|2,0,0]=4 1341 B8R0.1 C=CC[C@@H](C)OCC=O 34a_100000731007_200009817547 [0,1,1,0,0,0|1,0,1]=4 1342 B8R0.1 C=CC[C@@H](C)OCC=O 7a_100000731007_200015260668 [0,1,1,0,0,0|1,0,1]=4 1343 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,1,1,0,0,0|0,0,1]=3 1344 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [0,1,1,0,0,0|1,0,1]=4 1345 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [0,1,1,0,0,0|1,0,1]=4 1346 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [0,1,1,0,0,0|1,0,1]=4 1347 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [0,1,1,0,0,0|1,0,1]=4 1348 B8R0.1 CC#CC(C)OCC=O 34a_100011216543_200009817547 [0,1,1,0,0,0|1,0,1]=4 1349 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [0,1,1,0,0,0|0,0,2]=4 1350 B8R0.1 CC#CCC(=O)CCO 1458a_100011216618_100000748600 [0,1,1,0,0,0|0,0,2]=4 1351 B8R0.1 CC#CCC(=O)COC 1458a_100000210968_100000748600 [0,1,1,0,0,0|0,0,2]=4 1352 B8R0.1 CC#CCC(=O)CSC 1458a_100000184570_100000748600 [0,1,1,0,0,0|0,0,2]=4 1353 B8R0.1 CC(CC#N)SCC=O 62a_100009813641_200015260668 [0,1,1,0,0,0|1,0,1]=4 1354 B8R0.1 CC(CC#N)SCC=O 62a_200015260668_100009813641 [0,1,1,0,0,0|1,0,1]=4 1355 B8R0.1 CC(CCBr)OCC=O 34a_100012276601_200009817547 [0,1,1,0,0,0|1,0,0]=3 1356 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [0,1,1,0,0,0|1,0,0]=3 1357 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [0,1,1,0,0,0|1,0,0]=3 1358 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,1,1,0,0,0|0,0,1]=3 1359 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,1,1,0,0,0|1,0,1]=4 1360 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,1,1,0,0,0|1,0,1]=4 1361 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [0,1,1,0,0,0|1,0,1]=4 1362 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [0,1,1,0,0,0|1,0,1]=4 1363 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [0,1,1,0,0,0|1,0,1]=4 1364 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [0,1,1,0,0,0|1,0,1]=4 1365 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [0,1,1,0,0,0|1,0,1]=4 1366 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [0,1,1,0,0,0|0,0,2]=4 1367 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [0,1,1,0,0,0|0,0,2]=4 1368 B8R0.1 CC=CCC(=O)CCF 1458a_100121576822_100011217306 [0,1,1,0,0,0|0,0,2]=4 1369 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [0,1,1,0,0,0|0,0,2]=4 1370 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [0,1,1,0,0,0|0,0,2]=4 1371 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [0,1,1,0,0,0|0,0,2]=4 1372 B8R0.1 CC=CCC(=O)CSC 1458a_100000184570_100000070051 [0,1,1,0,0,0|0,0,2]=4 1373 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [0,1,1,0,0,0|0,0,2]=4 1374 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [0,1,1,0,0,0|0,0,2]=4 1375 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [0,1,1,0,0,0|0,0,2]=4 1376 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [0,1,1,0,0,0|0,0,2]=4 1377 B8R0.1 CCC#CC(=O)CCF 1458a_100011827653_100011217306 [0,1,1,0,0,0|0,0,2]=4 1378 B8R0.1 CCC#CC(=O)CCO 1458a_100011827653_100000211926 [0,1,1,0,0,0|0,0,2]=4 1379 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [0,1,1,0,0,0|0,0,2]=4 1380 B8R0.1 CCC=CC(=O)CCF 1458a_100000212282_100011217306 [0,1,1,0,0,0|0,0,2]=4 1381 B8R0.1 CCC=CC(=O)CCO 1458a_100000212282_100000211926 [0,1,1,0,0,0|0,0,2]=4 1382 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [0,1,1,0,0,0|0,0,2]=4 1383 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [0,1,1,0,0,0|0,0,2]=4 1384 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [0,1,1,0,0,0|1,0,1]=4 1385 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [0,1,1,0,0,0|1,0,1]=4 1386 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,1,1,0,0,0|1,0,0]=3 1387 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,1,1,0,0,0|1,0,0]=3 1388 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [0,1,1,0,0,0|1,0,0]=3 1389 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [0,1,1,0,0,0|1,0,0]=3 1390 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [0,1,1,0,0,0|1,0,0]=3 1391 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [0,1,1,0,0,0|1,0,0]=3 1392 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [0,1,1,0,0,0|1,0,0]=3 1393 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [0,1,1,0,0,0|1,0,0]=3 1394 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [0,1,1,0,0,0|1,0,0]=3 1395 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [0,1,1,0,0,0|1,0,0]=3 1396 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [0,1,1,0,0,0|1,0,0]=3 1397 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [0,1,1,0,0,0|2,0,0]=4 1398 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [0,1,1,0,0,0|2,0,0]=4 1399 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,1,1,0,0,0|2,0,0]=4 1400 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,1,1,0,0,0|2,0,0]=4 1401 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,1,1,0,0,0|2,0,0]=4 1402 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,1,1,0,0,0|2,0,0]=4 1403 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,1,1,0,0,0|2,0,0]=4 1404 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,1,1,0,0,0|2,0,0]=4 1405 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [0,1,1,0,0,0|2,0,0]=4 1406 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [0,1,1,0,0,0|2,0,0]=4 1407 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [0,1,1,0,0,0|2,0,0]=4 1408 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [0,1,1,0,0,0|2,0,0]=4 1409 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [0,1,1,0,0,0|2,0,0]=4 1410 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [0,1,1,0,0,0|2,0,0]=4 1411 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [0,1,1,0,0,0|2,0,0]=4 1412 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [0,1,1,0,0,0|2,0,0]=4 1413 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [0,1,1,0,0,0|2,0,0]=4 1414 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [0,1,1,0,0,0|2,0,0]=4 1415 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [0,1,1,0,0,0|1,0,0]=3 1416 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [0,1,1,0,0,0|1,0,0]=3 1417 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [0,1,1,0,0,0|1,0,0]=3 1418 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [0,1,1,0,0,0|1,0,0]=3 1419 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [0,1,1,0,0,0|1,0,0]=3 1420 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [0,1,1,0,0,0|0,0,2]=4 1421 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [0,1,1,0,0,0|0,0,2]=4 1422 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [0,1,1,0,0,0|0,0,2]=4 1423 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [0,1,1,0,0,0|0,0,1]=3 1424 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [0,1,1,0,0,0|0,0,1]=3 1425 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,1,1,0,0,0|0,0,0]=2 1426 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,1,1,0,0,0|0,0,0]=2 1427 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,1,1,0,0,0|0,0,0]=2 1428 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,1,1,0,0,0|0,0,0]=2 1429 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,1,1,0,0,0|0,0,0]=2 1430 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,1,1,0,0,0|0,0,0]=2 1431 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,1,1,0,0,0|0,0,0]=2 1432 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,1,1,0,0,0|0,0,0]=2 1433 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,1,1,0,0,0|0,0,0]=2 1434 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,1,1,0,0,0|0,0,0]=2 1435 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,1,1,0,0,0|1,0,0]=3 1436 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [0,1,1,0,0,0|1,0,1]=4 1437 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [0,1,1,0,0,0|1,0,1]=4 1438 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [0,1,1,0,0,0|1,0,1]=4 1439 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [0,1,1,0,0,0|1,0,1]=4 1440 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [0,1,1,0,0,0|1,0,1]=4 1441 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [0,1,1,0,0,0|1,0,1]=4 1442 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [0,1,1,0,0,0|1,0,1]=4 1443 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [0,1,1,0,0,0|1,0,1]=4 1444 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [0,1,1,0,0,0|1,0,1]=4 1445 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [0,1,1,0,0,0|1,0,1]=4 1446 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [0,1,1,0,0,0|1,0,1]=4 1447 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [0,1,1,0,0,0|1,0,1]=4 1448 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [0,1,1,0,0,0|2,0,0]=4 1449 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [0,1,1,0,0,0|2,0,0]=4 1450 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [0,1,1,0,0,0|2,0,0]=4 1451 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [0,1,1,0,0,0|2,0,0]=4 1452 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [0,1,1,0,0,0|2,0,0]=4 1453 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [0,1,1,0,0,0|2,0,0]=4 1454 B8R0.1 CCCCN(C)CCF 2230a_100000207549_100011217306 [0,1,1,0,0,0|2,0,0]=4 1455 B8R0.1 CCCCN(C)CCF 269982a_100000207549_100011217306 [0,1,1,0,0,0|2,0,0]=4 1456 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [0,1,1,0,0,0|2,0,0]=4 1457 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [0,1,1,0,0,0|2,0,0]=4 1458 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [0,1,1,0,0,0|2,0,0]=4 1459 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [0,1,1,0,0,0|2,0,0]=4 1460 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [0,1,1,0,0,0|2,0,0]=4 1461 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [0,1,1,0,0,0|2,0,0]=4 1462 B8R0.1 CCCCN(C)COC 2230a_100000207549_100000766300 [0,1,1,0,0,0|2,0,0]=4 1463 B8R0.1 CCCCN(C)COC 269982a_100000207549_100000766300 [0,1,1,0,0,0|2,0,0]=4 1464 B8R0.1 CCCCN(C)CSC 2230a_100000207549_100011218213 [0,1,1,0,0,0|2,0,0]=4 1465 B8R0.1 CCCCN(C)CSC 269982a_100000207549_100011218213 [0,1,1,0,0,0|2,0,0]=4 1466 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [0,1,1,0,0,0|2,0,0]=4 1467 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [0,1,1,0,0,0|2,0,0]=4 1468 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [0,1,1,0,0,0|2,0,0]=4 1469 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [0,1,1,0,0,0|2,0,0]=4 1470 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [0,1,1,0,0,0|1,0,1]=4 1471 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [0,1,1,0,0,0|1,0,1]=4 1472 B8R0.1 CCCNC(=O)CC#N 1626a_100020643023_100051588842 [0,1,1,0,0,0|1,0,1]=4 1473 B8R0.1 CCCNC(=O)CC#N 240690a_100020643023_100051588842 [0,1,1,0,0,0|1,0,1]=4 1474 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,1,1,0,0,0|1,0,0]=3 1475 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,1,1,0,0,0|1,0,0]=3 1476 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,1,1,0,0,0|1,0,0]=3 1477 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,1,1,0,0,0|1,0,0]=3 1478 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,1,1,0,0,0|1,0,0]=3 1479 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [0,1,1,0,0,0|1,0,0]=3 1480 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [0,1,1,0,0,0|1,0,0]=3 1481 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [0,1,1,0,0,0|1,0,0]=3 1482 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [0,1,1,0,0,0|1,0,0]=3 1483 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [0,1,1,0,0,0|1,0,0]=3 1484 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,1,1,0,0,0|1,0,0]=3 1485 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,1,1,0,0,0|1,0,0]=3 1486 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,1,1,0,0,0|1,0,0]=3 1487 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,1,1,0,0,0|1,0,0]=3 1488 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,1,1,0,0,0|1,0,0]=3 1489 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [0,1,1,0,0,0|1,0,0]=3 1490 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [0,1,1,0,0,0|1,0,0]=3 1491 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [0,1,1,0,0,0|1,0,0]=3 1492 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [0,1,1,0,0,0|1,0,0]=3 1493 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [0,1,1,0,0,0|1,0,0]=3 1494 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [0,1,1,0,0,0|1,0,0]=3 1495 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [0,1,1,0,0,0|1,0,0]=3 1496 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [0,1,1,0,0,0|1,0,0]=3 1497 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [0,1,1,0,0,0|1,0,0]=3 1498 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [0,1,1,0,0,0|1,0,0]=3 1499 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [0,1,1,0,0,0|1,0,0]=3 1500 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [0,1,1,0,0,0|1,0,0]=3 1501 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [0,1,1,0,0,0|1,0,0]=3 1502 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [0,1,1,0,0,0|1,0,0]=3 1503 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [0,1,1,0,0,0|2,0,0]=4 1504 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [0,1,1,0,0,0|2,0,0]=4 1505 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [0,1,1,0,0,0|2,0,0]=4 1506 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [0,1,1,0,0,0|1,0,0]=3 1507 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [0,1,1,0,0,0|1,0,0]=3 1508 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [0,1,1,0,0,0|1,0,0]=3 1509 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,1,1,0,0,0|1,0,0]=3 1510 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [0,1,1,0,0,0|1,0,0]=3 1511 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [0,1,1,0,0,0|1,0,0]=3 1512 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [0,1,1,0,0,0|1,0,0]=3 1513 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [0,1,1,0,0,0|1,0,0]=3 1514 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [0,1,1,0,0,0|1,0,1]=4 1515 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [0,1,1,0,0,0|1,0,1]=4 1516 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [0,1,1,0,0,0|1,0,1]=4 1517 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [0,1,1,0,0,0|1,0,0]=3 1518 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [0,1,1,0,0,0|1,0,0]=3 1519 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [0,1,1,0,0,0|1,0,0]=3 1520 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [0,1,1,0,0,0|1,0,0]=3 1521 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [0,1,1,0,0,0|1,0,0]=3 1522 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [0,1,1,0,0,0|1,0,0]=3 1523 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [0,1,1,0,0,0|1,0,0]=3 1524 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [0,1,1,0,0,0|1,0,0]=3 1525 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [0,1,1,0,0,0|1,0,0]=3 1526 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [0,1,1,0,0,0|1,0,0]=3 1527 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [0,1,1,0,0,0|1,0,0]=3 1528 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [0,1,1,0,0,0|1,0,0]=3 1529 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [0,1,1,0,0,0|1,0,0]=3 1530 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [0,1,1,0,0,0|1,0,0]=3 1531 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [0,1,1,0,0,0|1,0,0]=3 1532 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [0,1,1,0,0,0|1,0,0]=3 1533 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [0,1,1,0,0,0|1,0,0]=3 1534 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [0,1,1,0,0,0|1,0,0]=3 1535 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [0,1,1,0,0,0|1,0,0]=3 1536 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [0,1,1,0,0,0|1,0,0]=3 1537 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [0,1,1,0,0,0|1,0,0]=3 1538 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [0,1,1,0,0,0|1,0,0]=3 1539 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [0,1,1,0,0,0|1,0,0]=3 1540 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [0,1,1,0,0,0|2,0,0]=4 1541 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [0,1,1,0,0,0|2,0,0]=4 1542 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [0,1,1,0,0,0|2,0,0]=4 1543 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [0,1,1,0,0,0|2,0,0]=4 1544 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [0,1,1,0,0,0|2,0,0]=4 1545 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [0,1,1,0,0,0|2,0,0]=4 1546 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [0,1,1,0,0,0|2,0,0]=4 1547 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [0,1,1,0,0,0|2,0,0]=4 1548 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [0,1,1,0,0,0|2,0,0]=4 1549 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [0,1,1,0,0,0|2,0,0]=4 1550 B8R0.1 CCNC(C)CCOC 270004a_100015525214_100000742357 [0,1,1,0,0,0|2,0,0]=4 1551 B8R0.1 CCNC(C)CCSC 270004a_100015525214_100011217047 [0,1,1,0,0,0|2,0,0]=4 1552 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [0,1,1,0,0,0|1,0,0]=3 1553 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [0,1,1,0,0,0|1,0,0]=3 1554 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [0,1,1,0,0,0|2,0,0]=4 1555 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,1,1,0,0,0|1,0,0]=3 1556 B8R0.1 CCNNC(=O)CCO 22a_100000756455_100011216618 [0,1,1,0,0,0|2,0,0]=4 1557 B8R0.1 CCNNC(=O)COC 22a_100000756455_100000210968 [0,1,1,0,0,0|2,0,0]=4 1558 B8R0.1 CCNNC(=O)CSC 22a_100000756455_100000184570 [0,1,1,0,0,0|2,0,0]=4 1559 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [0,1,1,0,0,0|2,0,0]=4 1560 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [0,1,1,0,0,0|2,0,0]=4 1561 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [0,1,1,0,0,0|2,0,0]=4 1562 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,1,1,0,0,0|1,0,0]=3 1563 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,1,1,0,0,0|1,0,0]=3 1564 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,1,1,0,0,0|1,0,0]=3 1565 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,1,1,0,0,0|1,0,0]=3 1566 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,1,1,0,0,0|1,0,0]=3 1567 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,1,1,0,0,0|1,0,0]=3 1568 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,1,1,0,0,0|1,0,0]=3 1569 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,1,1,0,0,0|1,0,0]=3 1570 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,1,1,0,0,0|1,0,0]=3 1571 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,1,1,0,0,0|1,0,0]=3 1572 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,1,1,0,0,0|2,0,0]=4 1573 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,1,1,0,0,0|2,0,0]=4 1574 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [0,1,1,0,0,0|2,0,0]=4 1575 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [0,1,1,0,0,0|2,0,0]=4 1576 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [0,1,1,0,0,0|1,0,1]=4 1577 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [0,1,1,0,0,0|1,0,1]=4 1578 B8R0.1 CCOCC(=O)CC#N 1458a_100000211967_100011214920 [0,1,1,0,0,0|1,0,1]=4 1579 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [0,1,1,0,0,0|1,0,0]=3 1580 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,1,1,0,0,0|1,0,0]=3 1581 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,1,1,0,0,0|2,0,0]=4 1582 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [0,1,1,0,0,0|2,0,0]=4 1583 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,1,1,0,0,0|1,0,0]=3 1584 B8R0.1 CCSCC(=O)CC#N 1458a_100000230394_100011214920 [0,1,1,0,0,0|1,0,1]=4 1585 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [0,1,1,0,0,0|1,0,0]=3 1586 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,1,1,0,0,0|1,0,0]=3 1587 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [0,1,1,0,0,0|2,0,0]=4 1588 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [0,1,1,0,0,0|2,0,0]=4 1589 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [0,1,1,0,0,0|2,0,0]=4 1590 B8R0.1 CNCC(=O)NCCF 2230a_100000725713_200000210301 [0,1,1,0,0,0|2,0,0]=4 1591 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [0,1,1,0,0,0|0,0,2]=4 1592 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [0,1,1,0,0,0|0,0,2]=4 1593 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [0,1,1,0,0,0|2,0,0]=4 1594 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [0,1,1,0,0,0|2,0,0]=4 1595 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [0,1,1,0,0,0|1,0,1]=4 1596 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,1,1,0,0,0|1,0,0]=3 1597 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,1,1,0,0,0|1,0,0]=3 1598 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,1,1,0,0,0|1,0,0]=3 1599 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [0,1,1,0,0,0|2,0,0]=4 1600 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [0,1,1,0,0,0|2,0,0]=4 1601 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [0,1,1,0,0,0|2,0,0]=4 1602 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [0,1,1,0,0,0|2,0,0]=4 1603 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,1,1,0,0,0|2,0,0]=4 1604 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,1,1,0,0,0|2,0,0]=4 1605 B8R0.1 COCC(C)SCC=O 62a_100000765312_200015260668 [0,1,1,0,0,0|1,0,0]=3 1606 B8R0.1 COCC(C)SCC=O 62a_200015260668_100000765312 [0,1,1,0,0,0|1,0,0]=3 1607 B8R0.1 COCCC(=O)CC#N 1458a_100000749529_100011214920 [0,1,1,0,0,0|1,0,1]=4 1608 B8R0.1 COCCC(=O)CC#N 1458a_100051588842_100000233755 [0,1,1,0,0,0|1,0,1]=4 1609 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [0,1,1,0,0,0|1,0,0]=3 1610 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,1,1,0,0,0|1,0,0]=3 1611 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,1,1,0,0,0|1,0,0]=3 1612 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,1,1,0,0,0|1,0,0]=3 1613 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [0,1,1,0,0,0|1,0,0]=3 1614 B8R0.1 COC[C@@H](C)NCC=O 2230a_100000764878_200015260668 [0,1,1,0,0,0|1,0,0]=3 1615 B8R0.1 COC[C@@H](C)OCC=O 34a_100011934205_200009817547 [0,1,1,0,0,0|1,0,0]=3 1616 B8R0.1 CSCC(=O)CCC#N 1458a_100000184570_100011215226 [0,1,1,0,0,0|1,0,1]=4 1617 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,1,1,0,0,0|1,0,0]=3 1618 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,1,1,0,0,0|1,0,0]=3 1619 B8R0.1 CSCC(=O)NCCF 11a_100000724931_100000184570 [0,1,1,0,0,0|2,0,0]=4 1620 B8R0.1 CSCC(=O)NCCF 1626a_100000724931_100000184570 [0,1,1,0,0,0|2,0,0]=4 1621 B8R0.1 CSCC(=O)NCCF 240690a_100000724931_100000184570 [0,1,1,0,0,0|2,0,0]=4 1622 B8R0.1 CSCC(=O)NCCF 527a_100000724931_100000184570 [0,1,1,0,0,0|2,0,0]=4 1623 B8R0.1 CSCC(=O)NCCO 240690a_100000210304_100000184570 [0,1,1,0,0,0|2,0,0]=4 1624 B8R0.1 CSCC(=O)NCCO 527a_100000210304_100000184570 [0,1,1,0,0,0|2,0,0]=4 1625 B8R0.1 CSCCC(=O)CC#N 1458a_100000174002_100011214920 [0,1,1,0,0,0|1,0,1]=4 1626 B8R0.1 CSCCC(=O)CC#N 1458a_100051588842_100000751147 [0,1,1,0,0,0|1,0,1]=4 1627 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [0,1,1,0,0,0|1,0,0]=3 1628 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,1,1,0,0,0|1,0,0]=3 1629 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,1,1,0,0,0|1,0,0]=3 1630 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [0,1,1,0,0,0|1,0,0]=3 1631 B8R0.1 C[C@@H](CC#N)NCC=O 2230a_100016994482_200015260668 [0,1,1,0,0,0|1,0,1]=4 1632 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [0,1,1,0,0,0|0,0,2]=4 1633 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [0,1,1,0,0,0|0,0,2]=4 1634 B8R0.1 C[C@H](CCO)NCC=O 2230a_100000706166_200015260668 [0,1,1,0,0,0|1,0,0]=3 1635 B8R0.1 C[C@H](CCO)NCC=O 34a_100000706166_200009817547 [0,1,1,0,0,0|1,0,0]=3 1636 B8R0.1 N#CCC(=O)CCCF 1458a_100051588842_100011934791 [0,1,1,0,0,0|1,0,1]=4 1637 B8R0.1 N#CCC(=O)CCCO 1458a_100051588842_100011215043 [0,1,1,0,0,0|1,0,1]=4 1638 B8R0.1 N#CCCC(=O)CCF 1458a_100011934036_100011217306 [0,1,1,0,0,0|1,0,1]=4 1639 B8R0.1 N#CCCC(=O)CCO 1458a_100011216618_100011215226 [0,1,1,0,0,0|1,0,1]=4 1640 B8R0.1 N#CCCC(=O)CCO 1458a_100011934036_100000211926 [0,1,1,0,0,0|1,0,1]=4 1641 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,1,1,0,0,0|1,0,0]=3 1642 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,1,1,0,0,0|1,0,0]=3 1643 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [0,1,1,0,0,0|2,0,0]=4 1644 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,1,1,0,0,0|2,0,0]=4 1645 B8R0.1 [13CH3]NCC(=O)NCCF 2230a_100000725713_200025704644 [0,1,1,0,0,0|2,0,0]=4 1646 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [0,1,1,0,0,0|0,0,2]=4 1647 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,1,1,0,0,0|0,0,2]=4 1648 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [0,1,1,0,0,0|1,0,1]=4 1649 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [0,1,1,0,0,0|1,0,1]=4 1650 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,1,1,0,0,0|0,0,2]=4 1651 B8R0.3 C=CCN(C)C(C)CC 2230a_100000225617_100000758301 [0,1,1,0,0,0|2,0,0]=4 1652 B8R0.3 C=CCN(C)C(C)CC 2230a_100000741768_100000210623 [0,1,1,0,0,0|2,0,0]=4 1653 B8R0.3 C=CCN(C)C(C)CC 269982a_100000225617_100000758301 [0,1,1,0,0,0|2,0,0]=4 1654 B8R0.3 C=CCN(C)C(C)CC 269982a_100000741768_100000210623 [0,1,1,0,0,0|2,0,0]=4 1655 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,1,1,0,0,0|2,0,0]=4 1656 B8R0.3 CC(CO)N(C)CC=O 2230a_100000693034_200015260668 [0,1,1,0,0,0|2,0,0]=4 1657 B8R0.3 CC(CO)N(C)CC=O 269982a_100000693034_200015260668 [0,1,1,0,0,0|2,0,0]=4 1658 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,1,1,0,0,0|0,0,2]=4 1659 B8R0.3 CCC(=O)C(C)CC#N 1458a_100000210414_100009813641 [0,1,1,0,0,0|1,0,1]=4 1660 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,1,1,0,0,0|1,0,0]=3 1661 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,1,1,0,0,0|1,0,0]=3 1662 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,1,1,0,0,0|1,0,0]=3 1663 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,1,1,0,0,0|1,0,0]=3 1664 B8R0.3 CCC(=O)C(C)SCF 62a_100000742827_100015361967 [0,1,1,0,0,0|2,0,0]=4 1665 B8R0.3 CCC(=O)C(C)SCF 62a_100015361967_100000742827 [0,1,1,0,0,0|2,0,0]=4 1666 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,1,1,0,0,0|2,0,0]=4 1667 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,1,1,0,0,0|2,0,0]=4 1668 B8R0.3 CCC(C)N(C)CC=O 2230a_100000741768_200015260668 [0,1,1,0,0,0|1,0,0]=3 1669 B8R0.3 CCC(C)N(C)CC=O 269982a_100000741768_200015260668 [0,1,1,0,0,0|1,0,0]=3 1670 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,1,1,0,0,0|1,0,1]=4 1671 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,1,1,0,0,0|0,0,0]=2 1672 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,1,1,0,0,0|0,0,0]=2 1673 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,1,1,0,0,0|1,0,0]=3 1674 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,1,1,0,0,0|1,0,0]=3 1675 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,1,1,0,0,0|1,0,0]=3 1676 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,1,1,0,0,0|1,0,0]=3 1677 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,1,1,0,0,0|1,0,0]=3 1678 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,1,1,0,0,0|1,0,0]=3 1679 B8R0.3 CCCC(C)N(C)CC 2230a_100000225621_100000766640 [0,1,1,0,0,0|2,0,0]=4 1680 B8R0.3 CCCC(C)N(C)CC 269982a_100000225621_100000766640 [0,1,1,0,0,0|2,0,0]=4 1681 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,1,1,0,0,0|1,0,0]=3 1682 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,1,1,0,0,0|1,0,0]=3 1683 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,1,1,0,0,0|1,0,0]=3 1684 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,1,1,0,0,0|1,0,0]=3 1685 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,1,1,0,0,0|2,0,0]=4 1686 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,1,1,0,0,0|2,0,0]=4 1687 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,1,1,0,0,0|2,0,0]=4 1688 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,1,1,0,0,0|2,0,0]=4 1689 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,1,1,0,0,0|0,0,0]=2 1690 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,1,1,0,0,0|1,0,0]=3 1691 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,1,1,0,0,0|1,0,0]=3 1692 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,1,1,0,0,0|1,0,1]=4 1693 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,1,1,0,0,0|1,0,0]=3 1694 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,1,1,0,0,0|2,0,0]=4 1695 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,1,1,0,0,0|2,0,0]=4 1696 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [0,1,1,0,0,0|2,0,0]=4 1697 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,1,1,0,0,0|2,0,0]=4 1698 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,1,1,0,0,0|2,0,0]=4 1699 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,1,1,0,0,0|1,0,0]=3 1700 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,1,1,0,0,0|2,0,0]=4 1701 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,1,1,0,0,0|2,0,0]=4 1702 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,1,1,0,0,0|2,0,0]=4 1703 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,1,1,0,0,0|2,0,0]=4 1704 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,1,1,0,0,0|2,0,0]=4 1705 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,1,1,0,0,0|2,0,0]=4 1706 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,1,1,0,0,0|2,0,0]=4 1707 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,1,1,0,0,0|2,0,0]=4 1708 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,1,1,0,0,0|2,0,0]=4 1709 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,1,1,0,0,0|1,0,0]=3 1710 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,1,1,0,0,0|1,0,0]=3 1711 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,1,1,0,0,0|1,0,0]=3 1712 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,1,1,0,0,0|2,0,0]=4 1713 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,1,1,0,0,0|2,0,0]=4 1714 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,1,1,0,0,0|2,0,0]=4 1715 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,1,1,0,0,0|2,0,0]=4 1716 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,1,1,0,0,0|2,0,0]=4 1717 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,1,1,0,0,0|2,0,0]=4 1718 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,1,1,0,0,0|2,0,0]=4 1719 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,1,1,0,0,0|2,0,0]=4 1720 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,1,1,0,0,0|2,0,0]=4 1721 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [0,1,1,0,0,0|2,0,0]=4 1722 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [0,1,1,0,0,0|2,0,0]=4 1723 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [0,1,1,0,0,0|2,0,0]=4 1724 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [0,1,1,0,0,0|2,0,0]=4 1725 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [0,1,1,0,0,0|2,0,0]=4 1726 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [0,1,1,0,0,0|2,0,0]=4 1727 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [0,1,1,0,0,0|2,0,0]=4 1728 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [0,1,1,0,0,0|2,0,0]=4 1729 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [0,1,1,0,0,0|2,0,0]=4 1730 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [0,1,1,0,0,0|2,0,0]=4 1731 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [0,1,1,0,0,0|2,0,0]=4 1732 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [0,1,1,0,0,0|2,0,0]=4 1733 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [0,1,1,0,0,0|2,0,0]=4 1734 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [0,1,1,0,0,0|2,0,0]=4 1735 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,1,1,0,0,0|2,0,0]=4 1736 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,1,1,0,0,0|2,0,0]=4 1737 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,1,1,0,0,0|2,0,0]=4 1738 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,1,1,0,0,0|2,0,0]=4 1739 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,1,1,0,0,0|2,0,0]=4 1740 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,1,1,0,0,0|2,0,0]=4 1741 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,1,1,0,0,0|2,0,0]=4 1742 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,1,1,0,0,0|2,0,0]=4 1743 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,1,1,0,0,0|2,0,0]=4 1744 B8R0.3 COCC(C)C(=O)CF 1458a_100000751857_100015361967 [0,1,1,0,0,0|2,0,0]=4 1745 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,1,1,0,0,0|2,0,0]=4 1746 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,1,1,0,0,0|2,0,0]=4 1747 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,1,1,0,0,0|2,0,0]=4 1748 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,1,1,0,0,0|2,0,0]=4 1749 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,1,1,0,0,0|2,0,0]=4 1750 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,1,1,0,0,0|2,0,0]=4 1751 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [0,1,1,0,0,0|2,0,0]=4 1752 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,1,1,0,0,0|0,0,2]=4 1753 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [0,1,1,0,0,0|0,0,2]=4 1754 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [0,1,1,0,0,0|0,0,2]=4 1755 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [0,1,1,0,0,0|0,0,2]=4 1756 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [0,1,1,0,0,0|0,0,2]=4 1757 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [0,1,1,0,0,0|0,0,2]=4 1758 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,1,1,0,0,0|0,0,1]=3 1759 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,1,1,0,0,0|0,0,1]=3 1760 B8R0.6 C#CCCCC(=O)CF 1458a_100000690238_100015361967 [0,1,1,0,0,0|1,0,1]=4 1761 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [0,1,1,0,0,0|1,0,1]=4 1762 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [0,1,1,0,0,0|1,0,1]=4 1763 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [0,1,1,0,0,0|1,0,1]=4 1764 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [0,1,1,0,0,0|1,0,1]=4 1765 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [0,1,1,0,0,0|1,0,1]=4 1766 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [0,1,1,0,0,0|0,0,2]=4 1767 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [0,1,1,0,0,0|0,0,2]=4 1768 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [0,1,1,0,0,0|0,0,2]=4 1769 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [0,1,1,0,0,0|0,0,2]=4 1770 B8R0.6 C#CCCNC(C)CC 2230a_100000209981_100000688953 [0,1,1,0,0,0|1,0,1]=4 1771 B8R0.6 C#CCCNC(C)CC 34a_100000755551_100011215416 [0,1,1,0,0,0|1,0,1]=4 1772 B8R0.6 C#CCCOC(C)CC 34a_100011215631_100011215416 [0,1,1,0,0,0|1,0,1]=4 1773 B8R0.6 C#CCCOC(C)CC 7a_100000210228_100000688953 [0,1,1,0,0,0|1,0,1]=4 1774 B8R0.6 C#CCCSC(C)CC 62a_100000688953_100000758301 [0,1,1,0,0,0|1,0,1]=4 1775 B8R0.6 C#CCCSC(C)CC 62a_100000758301_100000688953 [0,1,1,0,0,0|1,0,1]=4 1776 B8R0.6 C#CCNCC(C)CC 2230a_100020588543_100000038162 [0,1,1,0,0,0|1,0,1]=4 1777 B8R0.6 C#CCNCC(C)CC 34a_100000212058_100000748023 [0,1,1,0,0,0|1,0,1]=4 1778 B8R0.6 C#CCNC[C@@H](C)CC 34a_100000212058_100009816398 [0,1,1,0,0,0|1,0,1]=4 1779 B8R0.6 C#CCOCC(=O)CC 1458a_100011251226_100000210202 [0,1,1,0,0,0|0,0,2]=4 1780 B8R0.6 C#CCOCC(=O)CC 34a_100000725409_100000184674 [0,1,1,0,0,0|0,0,2]=4 1781 B8R0.6 C#CCOCC(C)CC 34a_100000210247_100000748023 [0,1,1,0,0,0|1,0,1]=4 1782 B8R0.6 C#CCOC[C@@H](C)CC 34a_100000210247_100009816398 [0,1,1,0,0,0|1,0,1]=4 1783 B8R0.6 C#CCOC[C@@H](C)CC 7a_100009816381_100000038162 [0,1,1,0,0,0|1,0,1]=4 1784 B8R0.6 C#CCSCC(=O)CC 62a_100000038162_100000747405 [0,1,1,0,0,0|0,0,2]=4 1785 B8R0.6 C#CCSCC(C)CC 62a_100000038162_100000748023 [0,1,1,0,0,0|1,0,1]=4 1786 B8R0.6 C#CCSC[C@@H](C)CC 62a_100000038162_100009816398 [0,1,1,0,0,0|1,0,1]=4 1787 B8R0.6 C/C=C/COC(C)CC 34a_100016270725_100011215416 [0,1,1,0,0,0|1,0,1]=4 1788 B8R0.6 C/C=C/COC(C)CC 7a_100000210228_100102629194 [0,1,1,0,0,0|1,0,1]=4 1789 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [0,1,1,0,0,0|1,0,1]=4 1790 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [0,1,1,0,0,0|1,0,1]=4 1791 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,1,1,0,0,0|0,0,2]=4 1792 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [0,1,1,0,0,0|0,0,2]=4 1793 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,1,1,0,0,0|0,0,2]=4 1794 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [0,1,1,0,0,0|0,0,2]=4 1795 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [0,1,1,0,0,0|0,0,2]=4 1796 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [0,1,1,0,0,0|0,0,2]=4 1797 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,1,1,0,0,0|0,0,2]=4 1798 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,1,1,0,0,0|0,0,2]=4 1799 B8R0.6 C=CC(C)COCC=O 34a_100011215527_200009817547 [0,1,1,0,0,0|0,0,2]=4 1800 B8R0.6 C=CC(C)COCC=O 7a_100011215527_200015260668 [0,1,1,0,0,0|0,0,2]=4 1801 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,1,1,0,0,0|0,0,1]=3 1802 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,1,1,0,0,0|0,0,1]=3 1803 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [0,1,1,0,0,0|1,0,1]=4 1804 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,1,1,0,0,0|1,0,1]=4 1805 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [0,1,1,0,0,0|1,0,1]=4 1806 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [0,1,1,0,0,0|1,0,1]=4 1807 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [0,1,1,0,0,0|1,0,1]=4 1808 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [0,1,1,0,0,0|1,0,1]=4 1809 B8R0.6 C=CCCCN(C)CC 2230a_100000225621_100011713584 [0,1,1,0,0,0|2,0,0]=4 1810 B8R0.6 C=CCCCN(C)CC 269982a_100000225621_100000757094 [0,1,1,0,0,0|2,0,0]=4 1811 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,1,1,0,0,0|0,0,2]=4 1812 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,1,1,0,0,0|0,0,2]=4 1813 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,1,1,0,0,0|0,0,2]=4 1814 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,1,1,0,0,0|0,0,2]=4 1815 B8R0.6 C=CCCNC(C)CC 2230a_100000209981_100000754431 [0,1,1,0,0,0|1,0,0]=3 1816 B8R0.6 C=CCCNC(C)CC 2230a_100015191253_100000758301 [0,1,1,0,0,0|1,0,0]=3 1817 B8R0.6 C=CCCNC(C)CO 2230a_100015191253_100012180447 [0,1,1,0,0,0|2,0,0]=4 1818 B8R0.6 C=CCCN[C@H](C)CO 2230a_100000737577_100000754431 [0,1,1,0,0,0|2,0,0]=4 1819 B8R0.6 C=CCCOC(C)CC 34a_100011205117_100011215416 [0,1,1,0,0,0|1,0,0]=3 1820 B8R0.6 C=CCCOC(C)CC 7a_100000210228_100000754431 [0,1,1,0,0,0|1,0,0]=3 1821 B8R0.6 C=CCCOC(C)CF 34a_100016041109_100000754431 [0,1,1,0,0,0|2,0,0]=4 1822 B8R0.6 C=CCCOC(C)CF 7a_100016041109_100000754431 [0,1,1,0,0,0|2,0,0]=4 1823 B8R0.6 C=CCCOC(C)CN 34a_100000210904_100000754431 [0,1,1,0,0,0|2,0,0]=4 1824 B8R0.6 C=CCCOC(C)CO 34a_100011205117_100012180447 [0,1,1,0,0,0|2,0,0]=4 1825 B8R0.6 C=CCCSC(C)CC 62a_100000754431_100000758301 [0,1,1,0,0,0|1,0,0]=3 1826 B8R0.6 C=CCCSC(C)CC 62a_100000758301_100000754431 [0,1,1,0,0,0|1,0,0]=3 1827 B8R0.6 C=CCCSC(C)CO 62a_100012180447_100000754431 [0,1,1,0,0,0|2,0,0]=4 1828 B8R0.6 C=CCCSC(C)OC 62a_100000754431_100009879195 [0,1,1,0,0,0|2,0,0]=4 1829 B8R0.6 C=CCCSC(C)OC 62a_100009879195_100000754431 [0,1,1,0,0,0|2,0,0]=4 1830 B8R0.6 C=CCCS[C@H](C)CO 62a_100000754431_100016084084 [0,1,1,0,0,0|2,0,0]=4 1831 B8R0.6 C=CCCS[C@H](C)CO 62a_100016084084_100000754431 [0,1,1,0,0,0|2,0,0]=4 1832 B8R0.6 C=CCNCC(C)CC 2230a_100020586998_100000748023 [0,1,1,0,0,0|1,0,0]=3 1833 B8R0.6 C=CCNCC(C)CC 2230a_100020588543_100000210623 [0,1,1,0,0,0|1,0,0]=3 1834 B8R0.6 C=CCNCC(C)CC 270004a_100020586998_100000243153 [0,1,1,0,0,0|1,0,0]=3 1835 B8R0.6 C=CCNCC(C)CO 34a_100000744482_100015514636 [0,1,1,0,0,0|2,0,0]=4 1836 B8R0.6 C=CCNCC(O)CC 2230a_100011218483_100000210623 [0,1,1,0,0,0|2,0,0]=4 1837 B8R0.6 C=CCNCC(O)CC 2230a_100020586998_100011218378 [0,1,1,0,0,0|2,0,0]=4 1838 B8R0.6 C=CCNC[C@@H](C)CC 2230a_100020586998_100009816398 [0,1,1,0,0,0|1,0,0]=3 1839 B8R0.6 C=CCNC[C@@H](C)CO 2230a_100020586998_100000059175 [0,1,1,0,0,0|2,0,0]=4 1840 B8R0.6 C=CCNC[C@@H](C)OC 2230a_100020591295_100000210623 [0,1,1,0,0,0|2,0,0]=4 1841 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [0,1,1,0,0,0|0,0,2]=4 1842 B8R0.6 C=CCOCC(C)CC 34a_200000210373_100000748023 [0,1,1,0,0,0|1,0,0]=3 1843 B8R0.6 C=CCOCC(C)CN 34a_100000744482_100015514636 [0,1,1,0,0,0|2,0,0]=4 1844 B8R0.6 C=CCOCC(C)OC 34a_100000690652_100015514636 [0,1,1,0,0,0|2,0,0]=4 1845 B8R0.6 C=CCOCC(O)CC 34a_200000210373_100011218378 [0,1,1,0,0,0|2,0,0]=4 1846 B8R0.6 C=CCOC[C@@H](C)CC 34a_200000210373_100009816398 [0,1,1,0,0,0|1,0,0]=3 1847 B8R0.6 C=CCOC[C@@H](C)CC 7a_100009816381_100015514636 [0,1,1,0,0,0|1,0,0]=3 1848 B8R0.6 C=CCOC[C@@H](C)CO 34a_200000210373_100000059175 [0,1,1,0,0,0|2,0,0]=4 1849 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [0,1,1,0,0,0|0,0,2]=4 1850 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [0,1,1,0,0,0|0,0,2]=4 1851 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [0,1,1,0,0,0|0,0,2]=4 1852 B8R0.6 C=CCSCC(C)CC 62a_100000210623_100000748023 [0,1,1,0,0,0|1,0,0]=3 1853 B8R0.6 C=CCSCC(C)CC 62a_100000748023_100000210623 [0,1,1,0,0,0|1,0,0]=3 1854 B8R0.6 C=CCSCC(O)CC 62a_100000210623_100011218378 [0,1,1,0,0,0|2,0,0]=4 1855 B8R0.6 C=CCSCC(O)CC 62a_100011218378_100000210623 [0,1,1,0,0,0|2,0,0]=4 1856 B8R0.6 C=CCSC[C@@H](C)CC 62a_100000210623_100009816398 [0,1,1,0,0,0|1,0,0]=3 1857 B8R0.6 C=CCSC[C@@H](C)CC 62a_100009816398_100000210623 [0,1,1,0,0,0|1,0,0]=3 1858 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000059175_100000210623 [0,1,1,0,0,0|2,0,0]=4 1859 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000210623_100000059175 [0,1,1,0,0,0|2,0,0]=4 1860 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [0,1,1,0,0,0|0,0,2]=4 1861 B8R0.6 C=COCCN(C)CC 2230a_100000225621_100000039644 [0,1,1,0,0,0|2,0,0]=4 1862 B8R0.6 C=COCCN(C)CC 269982a_100000225621_100000039644 [0,1,1,0,0,0|2,0,0]=4 1863 B8R0.6 CC#CCNC(=O)CC 11a_100000685387_100000210414 [0,1,1,0,0,0|0,0,2]=4 1864 B8R0.6 CC#CCNC(=O)CC 1626a_100000685387_100000210414 [0,1,1,0,0,0|0,0,2]=4 1865 B8R0.6 CC#CCNC(=O)CC 527a_100000685387_100000210414 [0,1,1,0,0,0|0,0,2]=4 1866 B8R0.6 CC(CN)COCC=O 34a_100000744482_200009817547 [0,1,1,0,0,0|1,0,0]=3 1867 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [0,1,1,0,0,0|1,0,0]=3 1868 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [0,1,1,0,0,0|0,0,1]=3 1869 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [0,1,1,0,0,0|1,0,1]=4 1870 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [0,1,1,0,0,0|1,0,1]=4 1871 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [0,1,1,0,0,0|1,0,1]=4 1872 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [0,1,1,0,0,0|1,0,1]=4 1873 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [0,1,1,0,0,0|1,0,1]=4 1874 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [0,1,1,0,0,0|0,0,1]=3 1875 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,1,1,0,0,0|1,0,1]=4 1876 B8R0.6 CC=CCNC(C)CC 2230a_100000209981_100000070051 [0,1,1,0,0,0|1,0,1]=4 1877 B8R0.6 CC=CCOC(C)CC 7a_100000210228_100000070051 [0,1,1,0,0,0|1,0,1]=4 1878 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [0,1,1,0,0,0|1,0,1]=4 1879 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [0,1,1,0,0,0|1,0,1]=4 1880 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [0,1,1,0,0,0|0,0,1]=3 1881 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [0,1,1,0,0,0|1,0,1]=4 1882 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [0,1,1,0,0,0|0,0,2]=4 1883 B8R0.6 CCC(=O)CC#CCO 1458a_100000210414_200000047223 [0,1,1,0,0,0|0,0,2]=4 1884 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,1,1,0,0,0|0,0,1]=3 1885 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,1,1,0,0,0|0,0,1]=3 1886 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,1,1,0,0,0|0,0,0]=2 1887 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,1,1,0,0,0|0,0,0]=2 1888 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,1,1,0,0,0|0,0,0]=2 1889 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,1,1,0,0,0|0,0,0]=2 1890 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,1,1,0,0,0|0,0,0]=2 1891 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,1,1,0,0,0|0,0,0]=2 1892 B8R0.6 CCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210202 [0,1,1,0,0,0|2,0,0]=4 1893 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [0,1,1,0,0,0|1,0,1]=4 1894 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,1,1,0,0,0|1,0,0]=3 1895 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,1,1,0,0,0|1,0,0]=3 1896 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,1,1,0,0,0|1,0,0]=3 1897 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [0,1,1,0,0,0|1,0,0]=3 1898 B8R0.6 CCC(=O)CSCC#N 1458a_100000150266_100000210202 [0,1,1,0,0,0|1,0,1]=4 1899 B8R0.6 CCC(=O)CSCC#N 62a_100000747405_100011215382 [0,1,1,0,0,0|1,0,1]=4 1900 B8R0.6 CCC(=O)CSCC#N 62a_100011215382_100000747405 [0,1,1,0,0,0|1,0,1]=4 1901 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [0,1,1,0,0,0|1,0,1]=4 1902 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [0,1,1,0,0,0|1,0,1]=4 1903 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,1,1,0,0,0|1,0,0]=3 1904 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,1,1,0,0,0|1,0,0]=3 1905 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,1,1,0,0,0|1,0,0]=3 1906 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,1,1,0,0,0|1,0,0]=3 1907 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [0,1,1,0,0,0|1,0,0]=3 1908 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [0,1,1,0,0,0|1,0,0]=3 1909 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [0,1,1,0,0,0|1,0,0]=3 1910 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [0,1,1,0,0,0|1,0,0]=3 1911 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [0,1,1,0,0,0|1,0,1]=4 1912 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [0,1,1,0,0,0|1,0,1]=4 1913 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [0,1,1,0,0,0|1,0,1]=4 1914 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [0,1,1,0,0,0|1,0,1]=4 1915 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,1,1,0,0,0|1,0,0]=3 1916 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,1,1,0,0,0|1,0,0]=3 1917 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,1,1,0,0,0|1,0,0]=3 1918 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,1,1,0,0,0|1,0,0]=3 1919 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,1,1,0,0,0|1,0,0]=3 1920 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,1,1,0,0,0|1,0,0]=3 1921 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,1,1,0,0,0|1,0,0]=3 1922 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,1,1,0,0,0|1,0,0]=3 1923 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [0,1,1,0,0,0|1,0,0]=3 1924 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [0,1,1,0,0,0|1,0,0]=3 1925 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [0,1,1,0,0,0|1,0,0]=3 1926 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [0,1,1,0,0,0|1,0,0]=3 1927 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [0,1,1,0,0,0|1,0,0]=3 1928 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [0,1,1,0,0,0|1,0,0]=3 1929 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [0,1,1,0,0,0|1,0,0]=3 1930 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [0,1,1,0,0,0|1,0,0]=3 1931 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [0,1,1,0,0,0|1,0,0]=3 1932 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [0,1,1,0,0,0|1,0,0]=3 1933 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [0,1,1,0,0,0|1,0,0]=3 1934 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [0,1,1,0,0,0|2,0,0]=4 1935 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [0,1,1,0,0,0|1,0,0]=3 1936 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [0,1,1,0,0,0|1,0,0]=3 1937 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [0,1,1,0,0,0|0,0,2]=4 1938 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [0,1,1,0,0,0|0,0,2]=4 1939 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [0,1,1,0,0,0|1,0,1]=4 1940 B8R0.6 CCC(C)CNCC#N 2230a_100020588543_100011215382 [0,1,1,0,0,0|1,0,1]=4 1941 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [0,1,1,0,0,0|0,0,0]=2 1942 B8R0.6 CCC(C)CNCCF 2230a_100020588543_100011217306 [0,1,1,0,0,0|1,0,1]=4 1943 B8R0.6 CCC(C)CNCCF 34a_100000724931_100000748023 [0,1,1,0,0,0|1,0,1]=4 1944 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [0,1,1,0,0,0|0,0,2]=4 1945 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [0,1,1,0,0,0|0,0,2]=4 1946 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [0,1,1,0,0,0|0,0,2]=4 1947 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [0,1,1,0,0,0|0,0,2]=4 1948 B8R0.6 CCC(C)CNCOC 2230a_100020588543_100000766300 [0,1,1,0,0,0|2,0,0]=4 1949 B8R0.6 CCC(C)CNCSC 2230a_100020588543_100011218213 [0,1,1,0,0,0|2,0,0]=4 1950 B8R0.6 CCC(C)COCCBr 34a_100000211926_100000748023 [0,1,1,0,0,0|1,0,1]=4 1951 B8R0.6 CCC(C)COCCN 34a_100000210304_100000748023 [0,1,1,0,0,0|1,0,1]=4 1952 B8R0.6 CCC(C)CSCC#N 62a_100000748023_100011215382 [0,1,1,0,0,0|1,0,1]=4 1953 B8R0.6 CCC(C)CSCC#N 62a_100011215382_100000748023 [0,1,1,0,0,0|1,0,1]=4 1954 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [0,1,1,0,0,0|0,0,0]=2 1955 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [0,1,1,0,0,0|0,0,0]=2 1956 B8R0.6 CCC(C)CSCCF 62a_100000748023_100011217306 [0,1,1,0,0,0|1,0,1]=4 1957 B8R0.6 CCC(C)CSCCF 62a_100011217306_100000748023 [0,1,1,0,0,0|1,0,1]=4 1958 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [0,1,1,0,0,0|0,0,2]=4 1959 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [0,1,1,0,0,0|0,0,2]=4 1960 B8R0.6 CCC(C)CSCOC 62a_100000748023_100000766300 [0,1,1,0,0,0|2,0,0]=4 1961 B8R0.6 CCC(C)CSCOC 62a_100000766300_100000748023 [0,1,1,0,0,0|2,0,0]=4 1962 B8R0.6 CCC(C)CSCSC 62a_100000748023_100011218213 [0,1,1,0,0,0|2,0,0]=4 1963 B8R0.6 CCC(C)CSCSC 62a_100011218213_100000748023 [0,1,1,0,0,0|2,0,0]=4 1964 B8R0.6 CCC(C)NCCC#N 2230a_100000209981_100011215226 [0,1,1,0,0,0|1,0,1]=4 1965 B8R0.6 CCC(C)NCCCF 2230a_100000209981_100011934791 [0,1,1,0,0,0|1,0,1]=4 1966 B8R0.6 CCC(C)NCCCF 2230a_100015189416_100000758301 [0,1,1,0,0,0|1,0,1]=4 1967 B8R0.6 CCC(C)NCCCF 34a_100015189416_100011215416 [0,1,1,0,0,0|1,0,1]=4 1968 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [0,1,1,0,0,0|0,0,2]=4 1969 B8R0.6 CCC(C)NCCOC 2230a_100000209980_100000758301 [0,1,1,0,0,0|2,0,0]=4 1970 B8R0.6 CCC(C)NCCOC 2230a_100000209981_100011201679 [0,1,1,0,0,0|2,0,0]=4 1971 B8R0.6 CCC(C)NCCSC 2230a_100000209981_100000751147 [0,1,1,0,0,0|2,0,0]=4 1972 B8R0.6 CCC(C)NCCSC 2230a_100020590264_100000758301 [0,1,1,0,0,0|2,0,0]=4 1973 B8R0.6 CCC(C)OCCC#N 7a_100000210228_100000184422 [0,1,1,0,0,0|1,0,1]=4 1974 B8R0.6 CCC(C)OCCCBr 34a_100011217188_100011215416 [0,1,1,0,0,0|1,0,1]=4 1975 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [0,1,1,0,0,0|1,0,1]=4 1976 B8R0.6 CCC(C)OCCCF 34a_100000759539_100011215416 [0,1,1,0,0,0|1,0,1]=4 1977 B8R0.6 CCC(C)OCCCF 7a_100000210228_100011934791 [0,1,1,0,0,0|1,0,1]=4 1978 B8R0.6 CCC(C)OCCCN 34a_100000182051_100011215416 [0,1,1,0,0,0|1,0,1]=4 1979 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [0,1,1,0,0,0|0,0,2]=4 1980 B8R0.6 CCC(C)OCCOC 34a_100000210237_100011215416 [0,1,1,0,0,0|2,0,0]=4 1981 B8R0.6 CCC(C)OCCOC 7a_100000210228_100000233755 [0,1,1,0,0,0|2,0,0]=4 1982 B8R0.6 CCC(C)OCCON 34a_100000700252_100011215416 [0,1,1,0,0,0|2,0,0]=4 1983 B8R0.6 CCC(C)OCCSC 34a_100000230434_100011215416 [0,1,1,0,0,0|2,0,0]=4 1984 B8R0.6 CCC(C)OCCSC 7a_100000210228_100000212216 [0,1,1,0,0,0|2,0,0]=4 1985 B8R0.6 CCC(C)OCCSC 7a_100000230434_100000758301 [0,1,1,0,0,0|2,0,0]=4 1986 B8R0.6 CCC(C)SCCC#N 62a_100000758301_100011215226 [0,1,1,0,0,0|1,0,1]=4 1987 B8R0.6 CCC(C)SCCC#N 62a_100011215226_100000758301 [0,1,1,0,0,0|1,0,1]=4 1988 B8R0.6 CCC(C)SCCCF 62a_100000758301_100011934791 [0,1,1,0,0,0|1,0,1]=4 1989 B8R0.6 CCC(C)SCCCF 62a_100011934791_100000758301 [0,1,1,0,0,0|1,0,1]=4 1990 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [0,1,1,0,0,0|0,0,2]=4 1991 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [0,1,1,0,0,0|0,0,2]=4 1992 B8R0.6 CCC(C)SCCOC 62a_100000233755_100000758301 [0,1,1,0,0,0|2,0,0]=4 1993 B8R0.6 CCC(C)SCCOC 62a_100000758301_100000233755 [0,1,1,0,0,0|2,0,0]=4 1994 B8R0.6 CCC(C)SCCSC 62a_100000212216_100000758301 [0,1,1,0,0,0|2,0,0]=4 1995 B8R0.6 CCC(C)SCCSC 62a_100000758301_100000751147 [0,1,1,0,0,0|2,0,0]=4 1996 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [0,1,1,0,0,0|1,0,0]=3 1997 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [0,1,1,0,0,0|1,0,0]=3 1998 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [0,1,1,0,0,0|1,0,0]=3 1999 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [0,1,1,0,0,0|1,0,1]=4 2000 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [0,1,1,0,0,0|0,0,1]=3 2001 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [0,1,1,0,0,0|1,0,1]=4 2002 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [0,1,1,0,0,0|1,0,1]=4 2003 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [0,1,1,0,0,0|0,0,1]=3 2004 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [0,1,1,0,0,0|1,0,1]=4 2005 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [0,1,1,0,0,0|1,0,1]=4 2006 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [0,1,1,0,0,0|1,0,1]=4 2007 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [0,1,1,0,0,0|1,0,1]=4 2008 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,1,1,0,0,0|0,0,0]=2 2009 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,1,1,0,0,0|0,0,0]=2 2010 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,1,1,0,0,0|1,0,0]=3 2011 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,1,1,0,0,0|1,0,0]=3 2012 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,1,1,0,0,0|1,0,0]=3 2013 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,1,1,0,0,0|1,0,0]=3 2014 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,1,1,0,0,0|1,0,0]=3 2015 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,1,1,0,0,0|1,0,0]=3 2016 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [0,1,1,0,0,0|2,0,0]=4 2017 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [0,1,1,0,0,0|2,0,0]=4 2018 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [0,1,1,0,0,0|2,0,0]=4 2019 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [0,1,1,0,0,0|2,0,0]=4 2020 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,1,1,0,0,0|0,0,0]=2 2021 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,1,1,0,0,0|0,0,0]=2 2022 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,1,1,0,0,0|0,0,0]=2 2023 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,1,1,0,0,0|0,0,0]=2 2024 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,1,1,0,0,0|1,0,0]=3 2025 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,1,1,0,0,0|1,0,0]=3 2026 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,1,1,0,0,0|1,0,0]=3 2027 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,1,1,0,0,0|1,0,0]=3 2028 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,1,1,0,0,0|1,0,0]=3 2029 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,1,1,0,0,0|1,0,0]=3 2030 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,1,1,0,0,0|1,0,0]=3 2031 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,1,1,0,0,0|1,0,0]=3 2032 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [0,1,1,0,0,0|1,0,1]=4 2033 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [0,1,1,0,0,0|1,0,1]=4 2034 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [0,1,1,0,0,0|1,0,1]=4 2035 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [0,1,1,0,0,0|1,0,1]=4 2036 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [0,1,1,0,0,0|1,0,1]=4 2037 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [0,1,1,0,0,0|1,0,1]=4 2038 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [0,1,1,0,0,0|1,0,1]=4 2039 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [0,1,1,0,0,0|1,0,1]=4 2040 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,1,1,0,0,0|1,0,0]=3 2041 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [0,1,1,0,0,0|1,0,1]=4 2042 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [0,1,1,0,0,0|1,0,1]=4 2043 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [0,1,1,0,0,0|0,0,2]=4 2044 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [0,1,1,0,0,0|1,0,0]=3 2045 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,1,1,0,0,0|2,0,0]=4 2046 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [0,1,1,0,0,0|2,0,0]=4 2047 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [0,1,1,0,0,0|2,0,0]=4 2048 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [0,1,1,0,0,0|2,0,0]=4 2049 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,1,1,0,0,0|0,0,0]=2 2050 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,1,1,0,0,0|0,0,0]=2 2051 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,1,1,0,0,0|1,0,0]=3 2052 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,1,1,0,0,0|1,0,0]=3 2053 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,1,1,0,0,0|1,0,0]=3 2054 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,1,1,0,0,0|1,0,0]=3 2055 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,1,1,0,0,0|1,0,0]=3 2056 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,1,1,0,0,0|1,0,0]=3 2057 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,1,1,0,0,0|1,0,0]=3 2058 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,1,1,0,0,0|1,0,0]=3 2059 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [0,1,1,0,0,0|1,0,1]=4 2060 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [0,1,1,0,0,0|0,0,2]=4 2061 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [0,1,1,0,0,0|1,0,1]=4 2062 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [0,1,1,0,0,0|1,0,1]=4 2063 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,1,1,0,0,0|0,0,0]=2 2064 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,1,1,0,0,0|0,0,0]=2 2065 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,1,1,0,0,0|0,0,0]=2 2066 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,1,1,0,0,0|1,0,0]=3 2067 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,1,1,0,0,0|1,0,0]=3 2068 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,1,1,0,0,0|1,0,0]=3 2069 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,1,1,0,0,0|1,0,0]=3 2070 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,1,1,0,0,0|1,0,0]=3 2071 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,1,1,0,0,0|1,0,0]=3 2072 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,1,1,0,0,0|1,0,0]=3 2073 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,1,1,0,0,0|1,0,0]=3 2074 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,1,1,0,0,0|1,0,0]=3 2075 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [0,1,1,0,0,0|1,0,1]=4 2076 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [0,1,1,0,0,0|1,0,1]=4 2077 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [0,1,1,0,0,0|0,0,2]=4 2078 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [0,1,1,0,0,0|0,0,2]=4 2079 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [0,1,1,0,0,0|1,0,1]=4 2080 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [0,1,1,0,0,0|1,0,1]=4 2081 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [0,1,1,0,0,0|1,0,0]=3 2082 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [0,1,1,0,0,0|1,0,0]=3 2083 B8R0.6 CCN(C)CCCCF 2230a_100000225621_100000729493 [0,1,1,0,0,0|2,0,0]=4 2084 B8R0.6 CCN(C)CCCCF 269982a_100000225621_100000729493 [0,1,1,0,0,0|2,0,0]=4 2085 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [0,1,1,0,0,0|2,0,0]=4 2086 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [0,1,1,0,0,0|2,0,0]=4 2087 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [0,1,1,0,0,0|2,0,0]=4 2088 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [0,1,1,0,0,0|2,0,0]=4 2089 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [0,1,1,0,0,0|2,0,0]=4 2090 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [0,1,1,0,0,0|2,0,0]=4 2091 B8R0.6 CCN(C)CCCNC 2230a_106832991635_100015186262 [0,1,1,0,0,0|2,0,0]=4 2092 B8R0.6 CCN(C)CCCNC 7a_106832991635_100015186262 [0,1,1,0,0,0|2,0,0]=4 2093 B8R0.6 CCN(C)CCCOC 2230a_100000224831_100000210202 [0,1,1,0,0,0|2,0,0]=4 2094 B8R0.6 CCN(C)CCCOC 2230a_100000225621_100000740836 [0,1,1,0,0,0|2,0,0]=4 2095 B8R0.6 CCN(C)CCCOC 269982a_100000224831_100000204670 [0,1,1,0,0,0|2,0,0]=4 2096 B8R0.6 CCN(C)CCCOC 269982a_100000225621_100000740836 [0,1,1,0,0,0|2,0,0]=4 2097 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [0,1,1,0,0,0|2,0,0]=4 2098 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [0,1,1,0,0,0|2,0,0]=4 2099 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [0,1,1,0,0,0|2,0,0]=4 2100 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [0,1,1,0,0,0|2,0,0]=4 2101 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,1,1,0,0,0|1,0,0]=3 2102 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,1,1,0,0,0|1,0,0]=3 2103 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,1,1,0,0,0|1,0,0]=3 2104 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,1,1,0,0,0|1,0,0]=3 2105 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [0,1,1,0,0,0|1,0,1]=4 2106 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [0,1,1,0,0,0|0,0,2]=4 2107 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,1,1,0,0,0|0,0,0]=2 2108 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,1,1,0,0,0|0,0,0]=2 2109 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,1,1,0,0,0|1,0,0]=3 2110 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,1,1,0,0,0|1,0,0]=3 2111 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,1,1,0,0,0|1,0,0]=3 2112 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,1,1,0,0,0|1,0,0]=3 2113 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,1,1,0,0,0|1,0,0]=3 2114 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,1,1,0,0,0|1,0,0]=3 2115 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,1,1,0,0,0|1,0,0]=3 2116 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,1,1,0,0,0|1,0,0]=3 2117 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,1,1,0,0,0|1,0,0]=3 2118 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [0,1,1,0,0,0|1,0,1]=4 2119 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [0,1,1,0,0,0|2,0,0]=4 2120 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [0,1,1,0,0,0|2,0,0]=4 2121 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,1,1,0,0,0|0,0,0]=2 2122 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,1,1,0,0,0|0,0,0]=2 2123 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,1,1,0,0,0|1,0,0]=3 2124 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,1,1,0,0,0|1,0,0]=3 2125 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,1,1,0,0,0|1,0,0]=3 2126 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,1,1,0,0,0|1,0,0]=3 2127 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,1,1,0,0,0|1,0,0]=3 2128 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,1,1,0,0,0|1,0,0]=3 2129 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,1,1,0,0,0|1,0,0]=3 2130 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,1,1,0,0,0|1,0,0]=3 2131 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,1,1,0,0,0|1,0,0]=3 2132 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,1,1,0,0,0|1,0,0]=3 2133 B8R0.6 CCSCCN(C)CC 2230a_100000225621_100000757381 [0,1,1,0,0,0|2,0,0]=4 2134 B8R0.6 CCSCCN(C)CC 269982a_100000225621_100000757381 [0,1,1,0,0,0|2,0,0]=4 2135 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,1,1,0,0,0|2,0,0]=4 2136 B8R0.6 CC[C@H](C)CNCCF 34a_100000724931_100009816398 [0,1,1,0,0,0|1,0,1]=4 2137 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [0,1,1,0,0,0|0,0,2]=4 2138 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [0,1,1,0,0,0|0,0,2]=4 2139 B8R0.6 CC[C@H](C)COCC#N 7a_100009816381_100011215382 [0,1,1,0,0,0|1,0,1]=4 2140 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [0,1,1,0,0,0|0,0,0]=2 2141 B8R0.6 CC[C@H](C)COCCBr 34a_100000211926_100009816398 [0,1,1,0,0,0|1,0,1]=4 2142 B8R0.6 CC[C@H](C)COCCF 7a_100009816381_100011217306 [0,1,1,0,0,0|1,0,1]=4 2143 B8R0.6 CC[C@H](C)COCCN 34a_100000210304_100009816398 [0,1,1,0,0,0|1,0,1]=4 2144 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [0,1,1,0,0,0|0,0,2]=4 2145 B8R0.6 CC[C@H](C)CSCC#N 62a_100009816398_100011215382 [0,1,1,0,0,0|1,0,1]=4 2146 B8R0.6 CC[C@H](C)CSCC#N 62a_100011215382_100009816398 [0,1,1,0,0,0|1,0,1]=4 2147 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [0,1,1,0,0,0|0,0,0]=2 2148 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [0,1,1,0,0,0|0,0,0]=2 2149 B8R0.6 CC[C@H](C)CSCCF 62a_100009816398_100011217306 [0,1,1,0,0,0|1,0,1]=4 2150 B8R0.6 CC[C@H](C)CSCCF 62a_100011217306_100009816398 [0,1,1,0,0,0|1,0,1]=4 2151 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [0,1,1,0,0,0|0,0,2]=4 2152 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [0,1,1,0,0,0|0,0,2]=4 2153 B8R0.6 CC[C@H](C)CSCOC 62a_100000766300_100009816398 [0,1,1,0,0,0|2,0,0]=4 2154 B8R0.6 CC[C@H](C)CSCOC 62a_100009816398_100000766300 [0,1,1,0,0,0|2,0,0]=4 2155 B8R0.6 CC[C@H](C)CSCSC 62a_100009816398_100011218213 [0,1,1,0,0,0|2,0,0]=4 2156 B8R0.6 CC[C@H](C)CSCSC 62a_100011218213_100009816398 [0,1,1,0,0,0|2,0,0]=4 2157 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [0,1,1,0,0,0|1,0,1]=4 2158 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [0,1,1,0,0,0|1,0,1]=4 2159 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [0,1,1,0,0,0|1,0,1]=4 2160 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [0,1,1,0,0,0|1,0,1]=4 2161 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,1,1,0,0,0|1,0,0]=3 2162 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,1,1,0,0,0|1,0,0]=3 2163 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,1,1,0,0,0|1,0,0]=3 2164 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,1,1,0,0,0|1,0,0]=3 2165 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,1,1,0,0,0|1,0,0]=3 2166 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,1,1,0,0,0|1,0,0]=3 2167 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,1,1,0,0,0|1,0,0]=3 2168 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,1,1,0,0,0|1,0,0]=3 2169 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,1,1,0,0,0|1,0,0]=3 2170 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,1,1,0,0,0|1,0,0]=3 2171 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,1,1,0,0,0|1,0,0]=3 2172 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,1,1,0,0,0|1,0,0]=3 2173 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,1,1,0,0,0|1,0,0]=3 2174 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,1,1,0,0,0|1,0,0]=3 2175 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,1,1,0,0,0|1,0,0]=3 2176 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,1,1,0,0,0|1,0,0]=3 2177 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [0,1,1,0,0,0|2,0,0]=4 2178 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [0,1,1,0,0,0|2,0,0]=4 2179 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [0,1,1,0,0,0|2,0,0]=4 2180 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [0,1,1,0,0,0|2,0,0]=4 2181 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [0,1,1,0,0,0|2,0,0]=4 2182 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [0,1,1,0,0,0|2,0,0]=4 2183 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,1,1,0,0,0|2,0,0]=4 2184 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,1,1,0,0,0|2,0,0]=4 2185 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,1,1,0,0,0|2,0,0]=4 2186 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [0,1,1,0,0,0|2,0,0]=4 2187 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [0,1,1,0,0,0|2,0,0]=4 2188 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [0,1,1,0,0,0|2,0,0]=4 2189 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [0,1,1,0,0,0|2,0,0]=4 2190 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,1,1,0,0,0|2,0,0]=4 2191 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,1,1,0,0,0|2,0,0]=4 2192 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,1,1,0,0,0|2,0,0]=4 2193 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,1,1,0,0,0|2,0,0]=4 2194 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [0,1,1,0,0,0|2,0,0]=4 2195 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [0,1,1,0,0,0|2,0,0]=4 2196 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [0,1,1,0,0,0|2,0,0]=4 2197 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,1,1,0,0,0|2,0,0]=4 2198 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,1,1,0,0,0|2,0,0]=4 2199 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [0,1,1,0,0,0|2,0,0]=4 2200 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [0,1,1,0,0,0|2,0,0]=4 2201 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [0,1,1,0,0,0|2,0,0]=4 2202 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [0,1,1,0,0,0|2,0,0]=4 2203 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,1,1,0,0,0|2,0,0]=4 2204 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,1,1,0,0,0|2,0,0]=4 2205 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,1,1,0,0,0|2,0,0]=4 2206 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,1,1,0,0,0|2,0,0]=4 2207 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,1,1,0,0,0|2,0,0]=4 2208 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,1,1,0,0,0|2,0,0]=4 2209 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,1,1,0,0,0|2,0,0]=4 2210 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,1,1,0,0,0|2,0,0]=4 2211 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,1,1,0,0,0|2,0,0]=4 2212 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,1,1,0,0,0|2,0,0]=4 2213 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [0,1,1,0,0,0|2,0,0]=4 2214 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [0,1,1,0,0,0|2,0,0]=4 2215 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [0,1,1,0,0,0|2,0,0]=4 2216 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [0,1,1,0,0,0|2,0,0]=4 2217 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [0,1,1,0,0,0|2,0,0]=4 2218 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [0,1,1,0,0,0|2,0,0]=4 2219 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [0,1,1,0,0,0|2,0,0]=4 2220 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [0,1,1,0,0,0|2,0,0]=4 2221 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [0,1,1,0,0,0|2,0,0]=4 2222 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [0,1,1,0,0,0|2,0,0]=4 2223 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [0,1,1,0,0,0|2,0,0]=4 2224 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [0,1,1,0,0,0|2,0,0]=4 2225 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [0,1,1,0,0,0|2,0,0]=4 2226 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [0,1,1,0,0,0|2,0,0]=4 2227 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [0,1,1,0,0,0|2,0,0]=4 2228 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,1,1,0,0,0|1,0,0]=3 2229 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,1,1,0,0,0|1,0,0]=3 2230 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,1,1,0,0,0|1,0,0]=3 2231 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,1,1,0,0,0|1,0,0]=3 2232 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,1,1,0,0,0|1,0,0]=3 2233 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,1,1,0,0,0|1,0,0]=3 2234 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,1,1,0,0,0|1,0,0]=3 2235 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,1,1,0,0,0|1,0,0]=3 2236 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [0,1,1,0,0,0|2,0,0]=4 2237 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [0,1,1,0,0,0|2,0,0]=4 2238 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [0,1,1,0,0,0|2,0,0]=4 2239 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,1,1,0,0,0|1,0,0]=3 2240 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,1,1,0,0,0|1,0,0]=3 2241 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,1,1,0,0,0|1,0,0]=3 2242 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,1,1,0,0,0|1,0,0]=3 2243 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [0,1,1,0,0,0|2,0,0]=4 2244 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [0,1,1,0,0,0|2,0,0]=4 2245 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,1,1,0,0,0|2,0,0]=4 2246 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,1,1,0,0,0|2,0,0]=4 2247 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,1,1,0,0,0|2,0,0]=4 2248 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,1,1,0,0,0|2,0,0]=4 2249 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,1,1,0,0,0|2,0,0]=4 2250 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,1,1,0,0,0|2,0,0]=4 2251 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,1,1,0,0,0|2,0,0]=4 2252 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,1,1,0,0,0|2,0,0]=4 2253 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,1,1,0,0,0|2,0,0]=4 2254 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,1,1,0,0,0|2,0,0]=4 2255 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,1,1,0,0,0|2,0,0]=4 2256 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,1,1,0,0,0|2,0,0]=4 2257 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,1,1,0,0,0|2,0,0]=4 2258 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [0,1,1,0,0,0|1,0,0]=3 2259 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,1,1,0,0,0|1,0,0]=3 2260 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,1,1,0,0,0|1,0,0]=3 2261 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [0,1,1,0,0,0|2,0,0]=4 2262 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,1,1,0,0,0|1,0,0]=3 2263 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,1,1,0,0,0|2,0,0]=4 2264 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,1,1,0,0,0|2,0,0]=4 2265 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,1,1,0,0,0|2,0,0]=4 2266 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,1,1,0,0,0|2,0,0]=4 2267 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,1,1,0,0,0|2,0,0]=4 2268 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,1,1,0,0,0|2,0,0]=4 2269 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [0,1,1,0,0,0|1,0,0]=3 2270 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,1,1,0,0,0|1,0,0]=3 2271 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,1,1,0,0,0|2,0,0]=4 2272 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,1,1,0,0,0|2,0,0]=4 2273 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [0,1,1,0,0,0|1,0,0]=3 2274 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [0,1,1,0,0,0|1,0,0]=3 2275 B8R0.6 N#CCCCC(=O)CF 1458a_100000075515_100015361967 [0,1,1,0,0,0|1,0,1]=4 2276 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [0,1,1,0,0,0|1,0,1]=4 2277 B8R0.6 NC[C@@H](F)COCC=O 34a_100015665980_200009817547 [0,1,1,0,0,0|2,0,0]=4 2278 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,1,1,0,0,0|1,0,0]=3 2279 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [0,1,1,0,0,0|2,0,0]=4 2280 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,1,1,0,0,0|1,0,0]=3 2281 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,1,1,0,0,0|1,0,0]=3 2282 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,1,1,0,0,0|2,0,0]=4 2283 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,1,1,0,0,0|2,0,0]=4 2284 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,1,1,0,0,0|2,0,0]=4 2285 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,1,1,0,0,0|2,0,0]=4 2286 B8R0.6 O=CCNC[C@@H](F)CO 34a_100015665980_200009817547 [0,1,1,0,0,0|2,0,0]=4 2287 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [0,1,1,0,0,0|2,0,0]=4 2288 B8R0.6 O=CCOCC(Cl)CCl 34a_100000033668_200009817547 [0,1,1,0,0,0|2,0,0]=4 2289 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [0,1,1,0,0,0|2,0,0]=4 2290 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [0,1,1,0,0,0|2,0,0]=4 2291 B8R0.6 O=CCSC[C@@H](O)CF 62a_100015614560_200015260668 [0,1,1,0,0,0|2,0,0]=4 2292 B8R0.6 O=CCSC[C@@H](O)CF 62a_200015260668_100015614560 [0,1,1,0,0,0|2,0,0]=4 2293 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [0,1,1,0,0,0|2,0,0]=4 2294 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [0,1,1,0,0,0|2,0,0]=4 2295 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [0,1,1,0,0,0|2,0,0]=4 2296 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000210198_100000753159 [0,1,1,0,0,0|0,0,2]=4 2297 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000692101_100000210206 [0,1,1,0,0,0|0,0,2]=4 2298 B8R0.8 C#CCCC(=O)C(C)F 1458a_100000062450_100000753159 [0,1,1,0,0,0|0,0,2]=4 2299 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [0,1,1,0,0,0|0,0,2]=4 2300 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [0,1,1,0,0,0|0,0,2]=4 2301 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [0,1,1,0,0,0|0,0,2]=4 2302 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [0,1,1,0,0,0|0,0,2]=4 2303 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,1,1,0,0,0|0,0,2]=4 2304 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,1,1,0,0,0|0,0,2]=4 2305 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,1,1,0,0,0|0,0,1]=3 2306 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,1,1,0,0,0|1,0,1]=4 2307 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,1,1,0,0,0|1,0,1]=4 2308 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [0,1,1,0,0,0|1,0,1]=4 2309 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,1,1,0,0,0|1,0,1]=4 2310 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,1,1,0,0,0|1,0,1]=4 2311 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,1,1,0,0,0|1,0,1]=4 2312 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [0,1,1,0,0,0|0,0,2]=4 2313 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [0,1,1,0,0,0|0,0,2]=4 2314 B8R0.8 C=CCCC(=O)C(C)F 1458a_100000062450_100000754431 [0,1,1,0,0,0|0,0,2]=4 2315 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [0,1,1,0,0,0|0,0,2]=4 2316 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [0,1,1,0,0,0|0,0,2]=4 2317 B8R0.8 C=CCCC(C)N(C)C 270004a_100102631434_100000762624 [0,1,1,0,0,0|2,0,0]=4 2318 B8R0.8 C=CCCN(C)C(C)C 2230a_100020639649_100000210206 [0,1,1,0,0,0|2,0,0]=4 2319 B8R0.8 C=CCCN(C)C(C)C 269982a_100020639649_100000210206 [0,1,1,0,0,0|2,0,0]=4 2320 B8R0.8 C=CCCN(C)C(C)C 269982a_200000211004_100000754431 [0,1,1,0,0,0|2,0,0]=4 2321 B8R0.8 C=CCNC(C)C(C)C 2230a_100000211541_100000210623 [0,1,1,0,0,0|2,0,0]=4 2322 B8R0.8 C=CCOC(C)C(C)C 7a_100000748068_100015514636 [0,1,1,0,0,0|2,0,0]=4 2323 B8R0.8 CC#CCC(=O)C(C)C 1458a_100000210198_100000748600 [0,1,1,0,0,0|0,0,2]=4 2324 B8R0.8 CC#CCC(=O)C(C)F 1458a_100000062450_100000748600 [0,1,1,0,0,0|0,0,2]=4 2325 B8R0.8 CC#CCC(=O)[C@@H](C)O 1458a_100000717761_100000748600 [0,1,1,0,0,0|0,0,2]=4 2326 B8R0.8 CC#CCC(=O)[C@H](C)O 1458a_217856618621_100000748600 [0,1,1,0,0,0|0,0,2]=4 2327 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [0,1,1,0,0,0|1,0,1]=4 2328 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [0,1,1,0,0,0|1,0,1]=4 2329 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [0,1,1,0,0,0|1,0,1]=4 2330 B8R0.8 CC(C)C(=O)CCC#N 1458a_100000210198_100011215226 [0,1,1,0,0,0|1,0,1]=4 2331 B8R0.8 CC(C)C(=O)CCC#N 1458a_100011934036_100000210206 [0,1,1,0,0,0|1,0,1]=4 2332 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,1,1,0,0,0|1,0,0]=3 2333 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,1,1,0,0,0|1,0,0]=3 2334 B8R0.8 CC(C)C(=O)CSCF 62a_100000753385_100015361967 [0,1,1,0,0,0|2,0,0]=4 2335 B8R0.8 CC(C)C(=O)CSCF 62a_100015361967_100000753385 [0,1,1,0,0,0|2,0,0]=4 2336 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [0,1,1,0,0,0|2,0,0]=4 2337 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [0,1,1,0,0,0|2,0,0]=4 2338 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [0,1,1,0,0,0|2,0,0]=4 2339 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [0,1,1,0,0,0|2,0,0]=4 2340 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [0,1,1,0,0,0|2,0,0]=4 2341 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [0,1,1,0,0,0|2,0,0]=4 2342 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,1,1,0,0,0|2,0,0]=4 2343 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,1,1,0,0,0|2,0,0]=4 2344 B8R0.8 CC(C)C(C)NCC=O 2230a_100000211541_200015260668 [0,1,1,0,0,0|1,0,0]=3 2345 B8R0.8 CC(C)C(C)OCC=O 7a_100000748068_200015260668 [0,1,1,0,0,0|1,0,0]=3 2346 B8R0.8 CC(F)C(=O)CCC#N 1458a_100000062450_100011215226 [0,1,1,0,0,0|1,0,1]=4 2347 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,1,1,0,0,0|1,0,0]=3 2348 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,1,1,0,0,0|1,0,0]=3 2349 B8R0.8 CC(F)C(=O)NCCF 11a_100000724931_100000062450 [0,1,1,0,0,0|2,0,0]=4 2350 B8R0.8 CC(F)C(=O)NCCF 1626a_100000724931_100000062450 [0,1,1,0,0,0|2,0,0]=4 2351 B8R0.8 CC(F)C(=O)NCCF 240690a_100000724931_100000062450 [0,1,1,0,0,0|2,0,0]=4 2352 B8R0.8 CC(F)C(=O)NCCF 527a_100000724931_100000062450 [0,1,1,0,0,0|2,0,0]=4 2353 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [0,1,1,0,0,0|2,0,0]=4 2354 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [0,1,1,0,0,0|2,0,0]=4 2355 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [0,1,1,0,0,0|0,0,2]=4 2356 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [0,1,1,0,0,0|0,0,2]=4 2357 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [0,1,1,0,0,0|0,0,2]=4 2358 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,1,1,0,0,0|0,0,2]=4 2359 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,1,1,0,0,0|0,0,2]=4 2360 B8R0.8 CCC#CC(=O)C(C)C 1458a_100011827653_100000210206 [0,1,1,0,0,0|0,0,2]=4 2361 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [0,1,1,0,0,0|0,0,2]=4 2362 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,1,1,0,0,0|0,0,0]=2 2363 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,1,1,0,0,0|0,0,0]=2 2364 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,1,1,0,0,0|0,0,0]=2 2365 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,1,1,0,0,0|1,0,0]=3 2366 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,1,1,0,0,0|1,0,0]=3 2367 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,1,1,0,0,0|1,0,0]=3 2368 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,1,1,0,0,0|1,0,0]=3 2369 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,1,1,0,0,0|1,0,0]=3 2370 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,1,1,0,0,0|0,0,0]=2 2371 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,1,1,0,0,0|0,0,0]=2 2372 B8R0.8 CCCCN(C)C(C)C 2230a_100000207398_200000210301 [0,1,1,0,0,0|2,0,0]=4 2373 B8R0.8 CCCCN(C)C(C)C 2230a_100000207549_100000210206 [0,1,1,0,0,0|2,0,0]=4 2374 B8R0.8 CCCCN(C)C(C)C 269982a_100000207398_200000210301 [0,1,1,0,0,0|2,0,0]=4 2375 B8R0.8 CCCCN(C)C(C)C 269982a_100000207549_100000210206 [0,1,1,0,0,0|2,0,0]=4 2376 B8R0.8 CCCCN(C)C(C)C 269982a_200000211004_100000210211 [0,1,1,0,0,0|2,0,0]=4 2377 B8R0.8 CCCCN([13CH3])C(C)C 2230a_100000207398_200025704644 [0,1,1,0,0,0|2,0,0]=4 2378 B8R0.8 CCCCN([13CH3])C(C)C 269982a_100000207398_200025704644 [0,1,1,0,0,0|2,0,0]=4 2379 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,1,1,0,0,0|1,0,1]=4 2380 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,1,1,0,0,0|1,0,1]=4 2381 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [0,1,1,0,0,0|1,0,0]=3 2382 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [0,1,1,0,0,0|1,0,0]=3 2383 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [0,1,1,0,0,0|1,0,0]=3 2384 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [0,1,1,0,0,0|1,0,0]=3 2385 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [0,1,1,0,0,0|1,0,0]=3 2386 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [0,1,1,0,0,0|1,0,0]=3 2387 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [0,1,1,0,0,0|1,0,0]=3 2388 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [0,1,1,0,0,0|1,0,0]=3 2389 B8R0.8 CCCNC(=O)C(F)F 11a_100020643023_100000210393 [0,1,1,0,0,0|2,0,0]=4 2390 B8R0.8 CCCNC(=O)C(F)F 1626a_100020643023_100000210393 [0,1,1,0,0,0|2,0,0]=4 2391 B8R0.8 CCCNC(=O)C(F)F 240690a_100020643023_100000210393 [0,1,1,0,0,0|2,0,0]=4 2392 B8R0.8 CCCNC(=O)C(F)F 527a_100020643023_100000210393 [0,1,1,0,0,0|2,0,0]=4 2393 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,1,1,0,0,0|2,0,0]=4 2394 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [0,1,1,0,0,0|2,0,0]=4 2395 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,1,1,0,0,0|1,0,0]=3 2396 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,1,1,0,0,0|1,0,0]=3 2397 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,1,1,0,0,0|1,0,0]=3 2398 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [0,1,1,0,0,0|1,0,0]=3 2399 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [0,1,1,0,0,0|2,0,0]=4 2400 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [0,1,1,0,0,0|2,0,0]=4 2401 B8R0.8 CCNNC(=O)C(C)C 22a_100000756455_100000210198 [0,1,1,0,0,0|2,0,0]=4 2402 B8R0.8 CCNNC(=O)C(C)F 22a_100000756455_100000062450 [0,1,1,0,0,0|2,0,0]=4 2403 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [0,1,1,0,0,0|2,0,0]=4 2404 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [0,1,1,0,0,0|2,0,0]=4 2405 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,1,1,0,0,0|1,0,1]=4 2406 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,1,1,0,0,0|1,0,0]=3 2407 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,1,1,0,0,0|1,0,0]=3 2408 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [0,1,1,0,0,0|2,0,0]=4 2409 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [0,1,1,0,0,0|2,0,0]=4 2410 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [0,1,1,0,0,0|2,0,0]=4 2411 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [0,1,1,0,0,0|2,0,0]=4 2412 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [0,1,1,0,0,0|2,0,0]=4 2413 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,1,1,0,0,0|1,0,1]=4 2414 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,1,1,0,0,0|1,0,1]=4 2415 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [0,1,1,0,0,0|1,0,0]=3 2416 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [0,1,1,0,0,0|1,0,0]=3 2417 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [0,1,1,0,0,0|1,0,0]=3 2418 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [0,1,1,0,0,0|2,0,0]=4 2419 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [0,1,1,0,0,0|2,0,0]=4 2420 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [0,1,1,0,0,0|2,0,0]=4 2421 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [0,1,1,0,0,0|2,0,0]=4 2422 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [0,1,1,0,0,0|2,0,0]=4 2423 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [0,1,1,0,0,0|2,0,0]=4 2424 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [0,1,1,0,0,0|2,0,0]=4 2425 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [0,1,1,0,0,0|2,0,0]=4 2426 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [0,1,1,0,0,0|2,0,0]=4 2427 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [0,1,1,0,0,0|2,0,0]=4 2428 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [0,1,1,0,0,0|2,0,0]=4 2429 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [0,1,1,0,0,0|2,0,0]=4 2430 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [0,1,1,0,0,0|2,0,0]=4 2431 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,1,1,0,0,0|1,0,0]=3 2432 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,1,1,0,0,0|1,0,0]=3 2433 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [0,1,1,0,0,0|1,0,0]=3 2434 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [0,1,1,0,0,0|2,0,0]=4 2435 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [0,1,1,0,0,0|2,0,0]=4 2436 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [0,1,1,0,0,0|2,0,0]=4 2437 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [0,1,1,0,0,0|2,0,0]=4 2438 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [0,1,1,0,0,0|2,0,0]=4 2439 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [0,1,1,0,0,0|2,0,0]=4 2440 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,1,1,0,0,0|1,0,0]=3 2441 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,1,1,0,0,0|1,0,0]=3 2442 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [0,1,1,0,0,0|1,0,0]=3 2443 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [0,1,1,0,0,0|1,0,0]=3 2444 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [0,1,1,0,0,0|1,0,0]=3 2445 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [0,1,1,0,0,0|2,0,0]=4 2446 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [0,1,1,0,0,0|2,0,0]=4 2447 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [0,1,1,0,0,0|2,0,0]=4 2448 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [0,1,1,0,0,0|2,0,0]=4 2449 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [0,1,1,0,0,0|2,0,0]=4 2450 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [0,1,1,0,0,0|2,0,0]=4 2451 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [0,1,1,0,0,0|2,0,0]=4 2452 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,1,1,0,0,0|1,0,0]=3 2453 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,1,1,0,0,0|1,0,0]=3 2454 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,1,1,0,0,0|2,0,0]=4 2455 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,1,1,0,0,0|2,0,0]=4 2456 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [0,1,1,0,0,0|1,0,1]=4 2457 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,1,1,0,0,0|1,0,0]=3 2458 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,1,1,0,0,0|1,0,0]=3 2459 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,1,1,0,0,0|2,0,0]=4 2460 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,1,1,0,0,0|2,0,0]=4 2461 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [0,1,1,0,0,0|1,0,1]=4 2462 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,1,1,0,0,0|1,0,0]=3 2463 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,1,1,0,0,0|1,0,0]=3 2464 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,1,1,0,0,0|2,0,0]=4 2465 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,1,1,0,0,0|2,0,0]=4 2466 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,1,1,0,0,0|2,0,0]=4 2467 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [0,1,1,0,0,0|2,0,0]=4 2468 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [0,1,1,0,0,0|2,0,0]=4 2469 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [0,1,1,0,0,0|0,0,2]=4 2470 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [0,1,1,0,0,0|0,0,2]=4 2471 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,1,1,0,0,0|0,0,1]=3 2472 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,1,1,0,0,0|0,0,1]=3 2473 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [0,1,1,0,0,0|1,0,1]=4 2474 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,1,1,0,0,0|1,0,1]=4 2475 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,1,1,0,0,0|1,0,1]=4 2476 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,1,1,0,0,0|1,0,1]=4 2477 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,1,1,0,0,0|1,0,1]=4 2478 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,1,1,0,0,0|1,0,1]=4 2479 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [0,1,1,0,0,0|2,0,0]=4 2480 B8R0.9 C=C(C)CCN(C)CC 2230a_100000225621_100000730704 [0,1,1,0,0,0|2,0,0]=4 2481 B8R0.9 C=C(C)CCN(C)CC 269982a_100000225621_100000730704 [0,1,1,0,0,0|2,0,0]=4 2482 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,1,1,0,0,0|1,0,1]=4 2483 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,1,1,0,0,0|1,0,1]=4 2484 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,1,1,0,0,0|1,0,1]=4 2485 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,1,1,0,0,0|1,0,1]=4 2486 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [0,1,1,0,0,0|2,0,0]=4 2487 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [0,1,1,0,0,0|2,0,0]=4 2488 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [0,1,1,0,0,0|2,0,0]=4 2489 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [0,1,1,0,0,0|2,0,0]=4 2490 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [0,1,1,0,0,0|2,0,0]=4 2491 B8R0.9 C=C(F)CNC(C)CC 2230a_100000209981_100009893438 [0,1,1,0,0,0|2,0,0]=4 2492 B8R0.9 C=C(F)COC(C)CC 34a_200010262243_100011215416 [0,1,1,0,0,0|2,0,0]=4 2493 B8R0.9 C=C(F)COC(C)CC 7a_100000210228_100000042424 [0,1,1,0,0,0|2,0,0]=4 2494 B8R0.9 C=C(F)CSC(C)CC 62a_100000042424_100000758301 [0,1,1,0,0,0|2,0,0]=4 2495 B8R0.9 C=C(F)CSC(C)CC 62a_100000758301_100000042424 [0,1,1,0,0,0|2,0,0]=4 2496 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,1,1,0,0,0|0,0,2]=4 2497 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,1,1,0,0,0|0,0,2]=4 2498 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,1,1,0,0,0|2,0,0]=4 2499 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,1,1,0,0,0|2,0,0]=4 2500 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,1,1,0,0,0|2,0,0]=4 2501 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,1,1,0,0,0|1,0,0]=3 2502 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,1,1,0,0,0|1,0,0]=3 2503 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,1,1,0,0,0|2,0,0]=4 2504 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,1,1,0,0,0|2,0,0]=4 2505 B8R0.9 CC(C)OCC(=O)CF 1458a_100000745533_100015361967 [0,1,1,0,0,0|2,0,0]=4 2506 B8R0.9 CC(C)SCC(=O)CF 1458a_100000241585_100015361967 [0,1,1,0,0,0|2,0,0]=4 2507 B8R0.9 CC(CF)OCC(=O)N 34a_100016041109_100000187820 [0,1,1,0,0,0|2,0,0]=4 2508 B8R0.9 CC(CF)OCC(=O)N 7a_100016041109_100000187820 [0,1,1,0,0,0|2,0,0]=4 2509 B8R0.9 CC(CF)OCC(=O)[O-] 34a_100016041109_100020667443 [0,1,1,0,0,0|2,0,0]=4 2510 B8R0.9 CC(CN)OCC(=O)N 34a_100000210904_100000187820 [0,1,1,0,0,0|2,0,0]=4 2511 B8R0.9 CC(CN)OCC(=O)[O-] 34a_100000210904_100020667443 [0,1,1,0,0,0|2,0,0]=4 2512 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [0,1,1,0,0,0|2,0,0]=4 2513 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [0,1,1,0,0,0|2,0,0]=4 2514 B8R0.9 CC(CO)SCC(=O)[O-] 62a_100012180447_100020667443 [0,1,1,0,0,0|2,0,0]=4 2515 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,1,1,0,0,0|1,0,0]=3 2516 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,1,1,0,0,0|2,0,0]=4 2517 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,1,1,0,0,0|2,0,0]=4 2518 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [0,1,1,0,0,0|0,0,2]=4 2519 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,1,1,0,0,0|0,0,2]=4 2520 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,1,1,0,0,0|0,0,2]=4 2521 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,1,1,0,0,0|1,0,1]=4 2522 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,1,1,0,0,0|0,0,0]=2 2523 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,1,1,0,0,0|0,0,0]=2 2524 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,1,1,0,0,0|0,0,0]=2 2525 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [0,1,1,0,0,0|2,0,0]=4 2526 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,1,1,0,0,0|1,0,0]=3 2527 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,1,1,0,0,0|1,0,1]=4 2528 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,1,1,0,0,0|1,0,1]=4 2529 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,1,1,0,0,0|1,0,0]=3 2530 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,1,1,0,0,0|1,0,0]=3 2531 B8R0.9 CCC(=O)COC(F)F 1458a_200000719455_100000210202 [0,1,1,0,0,0|2,0,0]=4 2532 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,1,1,0,0,0|1,0,1]=4 2533 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,1,1,0,0,0|1,0,0]=3 2534 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,1,1,0,0,0|1,0,0]=3 2535 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,1,1,0,0,0|1,0,0]=3 2536 B8R0.9 CCC(=O)CSC(F)F 1458a_114828291038_100000210202 [0,1,1,0,0,0|2,0,0]=4 2537 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,1,1,0,0,0|1,0,1]=4 2538 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,1,1,0,0,0|1,0,1]=4 2539 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,1,1,0,0,0|1,0,0]=3 2540 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,1,1,0,0,0|1,0,0]=3 2541 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,1,1,0,0,0|1,0,0]=3 2542 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,1,1,0,0,0|1,0,0]=3 2543 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,1,1,0,0,0|1,0,0]=3 2544 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,1,1,0,0,0|1,0,0]=3 2545 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,1,1,0,0,0|1,0,0]=3 2546 B8R0.9 CCC(=O)NCC(F)F 11a_100000765723_100000210414 [0,1,1,0,0,0|2,0,0]=4 2547 B8R0.9 CCC(=O)NCC(F)F 1626a_100000765723_100000210414 [0,1,1,0,0,0|2,0,0]=4 2548 B8R0.9 CCC(=O)NCC(F)F 240690a_100000765723_100000210414 [0,1,1,0,0,0|2,0,0]=4 2549 B8R0.9 CCC(=O)NCC(F)F 527a_100000765723_100000210414 [0,1,1,0,0,0|2,0,0]=4 2550 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [0,1,1,0,0,0|2,0,0]=4 2551 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,1,1,0,0,0|0,0,0]=2 2552 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,1,1,0,0,0|0,0,0]=2 2553 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,1,1,0,0,0|1,0,0]=3 2554 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,1,1,0,0,0|1,0,0]=3 2555 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,1,1,0,0,0|1,0,0]=3 2556 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,1,1,0,0,0|1,0,0]=3 2557 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,1,1,0,0,0|1,0,0]=3 2558 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,1,1,0,0,0|1,0,0]=3 2559 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,1,1,0,0,0|1,0,0]=3 2560 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [0,1,1,0,0,0|2,0,0]=4 2561 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,1,1,0,0,0|1,0,0]=3 2562 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,1,1,0,0,0|1,0,0]=3 2563 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,1,1,0,0,0|1,0,0]=3 2564 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,1,1,0,0,0|1,0,0]=3 2565 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,1,1,0,0,0|1,0,0]=3 2566 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,1,1,0,0,0|1,0,0]=3 2567 B8R0.9 CCC(C)SC[N+](=O)[O-] 62a_100000758301_100000761209 [0,1,1,0,0,0|2,0,0]=4 2568 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,1,1,0,0,0|2,0,0]=4 2569 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,1,1,0,0,0|2,0,0]=4 2570 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,1,1,0,0,0|2,0,0]=4 2571 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,1,1,0,0,0|1,0,0]=3 2572 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,1,1,0,0,0|1,0,0]=3 2573 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [0,1,1,0,0,0|1,0,0]=3 2574 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [0,1,1,0,0,0|1,0,0]=3 2575 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [0,1,1,0,0,0|1,0,0]=3 2576 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [0,1,1,0,0,0|1,0,0]=3 2577 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,1,1,0,0,0|1,0,0]=3 2578 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [0,1,1,0,0,0|2,0,0]=4 2579 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [0,1,1,0,0,0|2,0,0]=4 2580 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [0,1,1,0,0,0|2,0,0]=4 2581 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [0,1,1,0,0,0|2,0,0]=4 2582 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [0,1,1,0,0,0|2,0,0]=4 2583 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [0,1,1,0,0,0|2,0,0]=4 2584 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [0,1,1,0,0,0|2,0,0]=4 2585 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [0,1,1,0,0,0|2,0,0]=4 2586 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [0,1,1,0,0,0|2,0,0]=4 2587 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [0,1,1,0,0,0|1,0,0]=3 2588 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [0,1,1,0,0,0|2,0,0]=4 2589 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [0,1,1,0,0,0|2,0,0]=4 2590 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,1,1,0,0,0|1,0,1]=4 2591 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,1,1,0,0,0|1,0,1]=4 2592 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,1,1,0,0,0|1,0,1]=4 2593 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,1,1,0,0,0|1,0,1]=4 2594 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,1,1,0,0,0|1,0,0]=3 2595 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,1,1,0,0,0|1,0,0]=3 2596 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,1,1,0,0,0|1,0,0]=3 2597 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,1,1,0,0,0|1,0,0]=3 2598 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,1,1,0,0,0|1,0,0]=3 2599 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [0,1,1,0,0,0|2,0,0]=4 2600 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [0,1,1,0,0,0|2,0,0]=4 2601 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [0,1,1,0,0,0|2,0,0]=4 2602 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [0,1,1,0,0,0|2,0,0]=4 2603 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [0,1,1,0,0,0|2,0,0]=4 2604 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [0,1,1,0,0,0|2,0,0]=4 2605 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [0,1,1,0,0,0|2,0,0]=4 2606 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [0,1,1,0,0,0|2,0,0]=4 2607 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [0,1,1,0,0,0|2,0,0]=4 2608 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [0,1,1,0,0,0|2,0,0]=4 2609 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [0,1,1,0,0,0|2,0,0]=4 2610 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [0,1,1,0,0,0|2,0,0]=4 2611 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [0,1,1,0,0,0|2,0,0]=4 2612 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [0,1,1,0,0,0|2,0,0]=4 2613 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [0,1,1,0,0,0|2,0,0]=4 2614 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,1,1,0,0,0|2,0,0]=4 2615 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,1,1,0,0,0|2,0,0]=4 2616 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,1,1,0,0,0|2,0,0]=4 2617 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,1,1,0,0,0|2,0,0]=4 2618 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,1,1,0,0,0|2,0,0]=4 2619 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,1,1,0,0,0|2,0,0]=4 2620 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [0,1,1,0,0,0|2,0,0]=4 2621 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [0,1,1,0,0,0|2,0,0]=4 2622 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [0,1,1,0,0,0|2,0,0]=4 2623 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [0,1,1,0,0,0|2,0,0]=4 2624 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [0,1,1,0,0,0|2,0,0]=4 2625 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [0,1,1,0,0,0|2,0,0]=4 2626 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [0,1,1,0,0,0|2,0,0]=4 2627 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [0,1,1,0,0,0|2,0,0]=4 2628 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [0,1,1,0,0,0|2,0,0]=4 2629 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [0,1,1,0,0,0|2,0,0]=4 2630 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [0,1,1,0,0,0|2,0,0]=4 2631 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [0,1,1,0,0,0|2,0,0]=4 2632 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [0,1,1,0,0,0|2,0,0]=4 2633 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [0,1,1,0,0,0|2,0,0]=4 2634 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [0,1,1,0,0,0|2,0,0]=4 2635 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [0,1,1,0,0,0|2,0,0]=4 2636 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [0,1,1,0,0,0|2,0,0]=4 2637 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [0,1,1,0,0,0|2,0,0]=4 2638 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,1,1,0,0,0|1,0,1]=4 2639 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,1,1,0,0,0|1,0,1]=4 2640 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,1,1,0,0,0|2,0,0]=4 2641 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,1,1,0,0,0|2,0,0]=4 2642 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,1,1,0,0,0|2,0,0]=4 2643 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,1,1,0,0,0|2,0,0]=4 2644 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [0,1,1,0,0,0|2,0,0]=4 2645 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [0,1,1,0,0,0|2,0,0]=4 2646 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,1,1,0,0,0|2,0,0]=4 2647 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,1,1,0,0,0|2,0,0]=4 2648 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,1,1,0,0,0|2,0,0]=4 2649 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,1,1,0,0,0|2,0,0]=4 2650 B8R0.9 COC(C)SCC(=O)N 62a_100000747473_100009879195 [0,1,1,0,0,0|2,0,0]=4 2651 B8R0.9 COC(C)SCC(=O)N 62a_100009879195_100000747473 [0,1,1,0,0,0|2,0,0]=4 2652 B8R0.9 COC(C)SCC(=O)[O-] 62a_100009879195_100020667443 [0,1,1,0,0,0|2,0,0]=4 2653 B8R0.9 COC(C)SCC(=O)[O-] 62a_100020667443_100009879195 [0,1,1,0,0,0|2,0,0]=4 2654 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [0,1,1,0,0,0|2,0,0]=4 2655 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [0,1,1,0,0,0|2,0,0]=4 2656 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [0,1,1,0,0,0|2,0,0]=4 2657 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [0,1,1,0,0,0|2,0,0]=4 2658 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [0,1,1,0,0,0|2,0,0]=4 2659 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,1,1,0,0,0|2,0,0]=4 2660 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [0,1,1,0,0,0|2,0,0]=4 2661 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [0,1,1,0,0,0|2,0,0]=4 2662 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100016084084_100020667443 [0,1,1,0,0,0|2,0,0]=4 2663 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100020667443_100016084084 [0,1,1,0,0,0|2,0,0]=4 2664 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [0,1,1,0,0,0|2,0,0]=4 2665 B8R0.11 C#CC(CC)OCC=O 34a_100000758843_200009817547 [0,1,1,0,0,0|1,0,1]=4 2666 B8R0.11 C#CC(CC)OCC=O 7a_100000758843_200015260668 [0,1,1,0,0,0|1,0,1]=4 2667 B8R0.11 C=CC(CC)OCC=O 34a_100000766422_200009817547 [0,1,1,0,0,0|1,0,1]=4 2668 B8R0.11 C=CC(CC)OCC=O 7a_100000766422_200015260668 [0,1,1,0,0,0|1,0,1]=4 2669 B8R0.11 C=CCCN(CC)CC 2230a_100000724800_100000754431 [0,1,1,0,0,0|2,0,0]=4 2670 B8R0.11 C=CCCN(CC)CC 269956a_100000042499_100000754431 [0,1,1,0,0,0|2,0,0]=4 2671 B8R0.11 C=CCCN(CC)CC 269982a_100000724800_100000754431 [0,1,1,0,0,0|2,0,0]=4 2672 B8R0.11 C=CCNC(CC)CC 2230a_100000199018_100000210623 [0,1,1,0,0,0|2,0,0]=4 2673 B8R0.11 C=CCNC(CC)CC 270004a_100020586998_100000210860 [0,1,1,0,0,0|2,0,0]=4 2674 B8R0.11 C=CCN[C@@H](CC)CO 2230a_100000709445_100000210623 [0,1,1,0,0,0|2,0,0]=4 2675 B8R0.11 C=CCOC(CC)CC 7a_100000688536_100015514636 [0,1,1,0,0,0|2,0,0]=4 2676 B8R0.11 C=CCSC(CC)CC 62a_100000210505_100000210623 [0,1,1,0,0,0|2,0,0]=4 2677 B8R0.11 C=CCSC(CC)CC 62a_100000210623_100000210505 [0,1,1,0,0,0|2,0,0]=4 2678 B8R0.11 CCC(CC)NCC=O 2230a_100000199018_200015260668 [0,1,1,0,0,0|1,0,0]=3 2679 B8R0.11 CCC(CC)OCC=O 7a_100000688536_200015260668 [0,1,1,0,0,0|1,0,0]=3 2680 B8R0.11 CCC(CC)SCC=O 62a_100000210505_200015260668 [0,1,1,0,0,0|1,0,0]=3 2681 B8R0.11 CCC(CC)SCC=O 62a_200015260668_100000210505 [0,1,1,0,0,0|1,0,0]=3 2682 B8R0.11 CCCCC(CC)NC 270004a_106832991635_100000753412 [0,1,1,0,0,0|1,0,1]=4 2683 B8R0.11 CCCCC(CC)NC 34a_100102657272_200011216223 [0,1,1,0,0,0|1,0,1]=4 2684 B8R0.11 CCCCC(CC)NC 7a_106832991635_200011216223 [0,1,1,0,0,0|1,0,1]=4 2685 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [0,1,1,0,0,0|0,0,2]=4 2686 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [0,1,1,0,0,0|0,0,2]=4 2687 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [0,1,1,0,0,0|0,0,2]=4 2688 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [0,1,1,0,0,0|0,0,2]=4 2689 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [0,1,1,0,0,0|0,0,2]=4 2690 B8R0.11 CCCCC(CC)SC 62a_200000210301_200011216223 [0,1,1,0,0,0|0,1,1]=4 2691 B8R0.11 CCCCC(CC)SC 62a_200011216223_200000210301 [0,1,1,0,0,0|0,1,1]=4 2692 B8R0.11 CCCCC(CC)S[13CH3] 62a_200011216223_200025704644 [0,1,1,0,0,0|0,1,1]=4 2693 B8R0.11 CCCCC(CC)S[13CH3] 62a_200025704644_200011216223 [0,1,1,0,0,0|0,1,1]=4 2694 B8R0.11 CCCCN(CC)CC 2230a_100000207695_100000210202 [0,1,1,0,0,0|2,0,0]=4 2695 B8R0.11 CCCCN(CC)CC 2230a_100000724800_100000210211 [0,1,1,0,0,0|2,0,0]=4 2696 B8R0.11 CCCCN(CC)CC 269956a_100000042499_100000210211 [0,1,1,0,0,0|2,0,0]=4 2697 B8R0.11 CCCCN(CC)CC 269982a_100000207695_100000204670 [0,1,1,0,0,0|2,0,0]=4 2698 B8R0.11 CCCCN(CC)CC 269982a_100000724800_100000210211 [0,1,1,0,0,0|2,0,0]=4 2699 B8R0.11 CCCCN(CC)CF 269982a_100000207695_100015361967 [0,1,1,0,0,0|2,0,0]=4 2700 B8R0.11 CC[C@@H](CO)NCC=O 2230a_100000709445_200015260668 [0,1,1,0,0,0|1,0,0]=3 2701 B8R0.11 NCC(CN)OCC=O 34a_100000031598_200009817547 [0,1,1,0,0,0|2,0,0]=4 2702 B8R0.11 O=CCNC(CO)CO 2230a_100000759517_200015260668 [0,1,1,0,0,0|2,0,0]=4 2703 B8R0.11 O=CCOC(CCl)CCl 7a_100000737055_200015260668 [0,1,1,0,0,0|2,0,0]=4 2704 B8R0.11 O=CCOC(CF)CF 34a_100000032261_200009817547 [0,1,1,0,0,0|2,0,0]=4 2705 B8R0.11 O=CCOC(CF)CF 7a_100000032261_200015260668 [0,1,1,0,0,0|2,0,0]=4 2706 B8R0.11 O=CCO[C@@H](CF)CCl 34a_100015614560_200009817547 [0,1,1,0,0,0|2,0,0]=4 2707 B8R0.11 O=CCO[C@@H](CF)CCl 7a_100015614560_200015260668 [0,1,1,0,0,0|2,0,0]=4 2708 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [0,1,1,0,0,0|0,0,2]=4 2709 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [0,1,1,0,0,0|0,0,2]=4 2710 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [0,1,1,0,0,0|0,0,2]=4 2711 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,1,1,0,0,0|0,0,2]=4 2712 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [0,1,1,0,0,0|0,0,2]=4 2713 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,1,1,0,0,0|0,0,2]=4 2714 B8R0.19 C=CC(C)CC(=O)CC 1458a_100011934298_100000210202 [0,1,1,0,0,0|0,0,2]=4 2715 B8R0.19 C=CC(C)OC(C)CC 34a_100000695699_100011215416 [0,1,1,0,0,0|2,0,0]=4 2716 B8R0.19 C=CC(C)SC(C)CC 62a_100011215867_100000758301 [0,1,1,0,0,0|2,0,0]=4 2717 B8R0.19 C=CC(O)CN(C)CC 2230a_100000225621_100000730141 [0,1,1,0,0,0|2,0,0]=4 2718 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,1,1,0,0,0|0,0,2]=4 2719 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,1,1,0,0,0|0,0,1]=3 2720 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,1,1,0,0,0|1,0,1]=4 2721 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,1,1,0,0,0|1,0,1]=4 2722 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,1,1,0,0,0|1,0,1]=4 2723 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,1,1,0,0,0|1,0,1]=4 2724 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,1,1,0,0,0|0,0,0]=2 2725 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,1,1,0,0,0|0,0,0]=2 2726 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,1,1,0,0,0|0,0,0]=2 2727 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,1,1,0,0,0|0,0,0]=2 2728 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,1,1,0,0,0|1,0,0]=3 2729 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,1,1,0,0,0|1,0,0]=3 2730 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,1,1,0,0,0|0,0,0]=2 2731 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,1,1,0,0,0|1,0,0]=3 2732 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,1,1,0,0,0|1,0,0]=3 2733 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,1,1,0,0,0|1,0,0]=3 2734 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,1,1,0,0,0|1,0,0]=3 2735 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,1,1,0,0,0|1,0,0]=3 2736 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [0,1,1,0,0,0|2,0,0]=4 2737 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [0,1,1,0,0,0|2,0,0]=4 2738 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [0,1,1,0,0,0|2,0,0]=4 2739 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [0,1,1,0,0,0|2,0,0]=4 2740 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,1,1,0,0,0|2,0,0]=4 2741 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,1,1,0,0,0|2,0,0]=4 2742 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,1,1,0,0,0|1,0,0]=3 2743 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,1,1,0,0,0|1,0,0]=3 2744 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,1,1,0,0,0|1,0,0]=3 2745 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,1,1,0,0,0|1,0,0]=3 2746 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,1,1,0,0,0|1,0,0]=3 2747 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,1,1,0,0,0|1,0,0]=3 2748 B8R0.19 CCC(C)CC(C)NC 2230a_100000763565_200000210301 [0,1,1,0,0,0|2,0,0]=4 2749 B8R0.19 CCC(C)CC(C)NC 270004a_106832991635_100011710205 [0,1,1,0,0,0|2,0,0]=4 2750 B8R0.19 CCC(C)CC(C)N[13CH3] 2230a_100000763565_200025704644 [0,1,1,0,0,0|2,0,0]=4 2751 B8R0.19 CCC(C)CN(C)CC 2230a_100000225621_100000748023 [0,1,1,0,0,0|2,0,0]=4 2752 B8R0.19 CCC(C)CN(C)CC 2230a_100000753921_100000210202 [0,1,1,0,0,0|2,0,0]=4 2753 B8R0.19 CCC(C)CN(C)CC 269982a_100000225621_100000748023 [0,1,1,0,0,0|2,0,0]=4 2754 B8R0.19 CCC(C)CN(C)CC 269982a_100000753921_100000204670 [0,1,1,0,0,0|2,0,0]=4 2755 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,1,1,0,0,0|2,0,0]=4 2756 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,1,1,0,0,0|2,0,0]=4 2757 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,1,1,0,0,0|2,0,0]=4 2758 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,1,1,0,0,0|2,0,0]=4 2759 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,1,1,0,0,0|2,0,0]=4 2760 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,1,1,0,0,0|2,0,0]=4 2761 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,1,1,0,0,0|2,0,0]=4 2762 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,1,1,0,0,0|2,0,0]=4 2763 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,1,1,0,0,0|1,0,0]=3 2764 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,1,1,0,0,0|1,0,0]=3 2765 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,1,1,0,0,0|1,0,0]=3 2766 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,1,1,0,0,0|1,0,0]=3 2767 B8R0.19 CCC(O)CN(C)CC 2230a_100000225621_100011218378 [0,1,1,0,0,0|2,0,0]=4 2768 B8R0.19 CCC(O)CN(C)CC 2230a_100011365200_200000210301 [0,1,1,0,0,0|2,0,0]=4 2769 B8R0.19 CCC(O)CN(C)CC 269982a_100000225621_100011218378 [0,1,1,0,0,0|2,0,0]=4 2770 B8R0.19 CCC(O)CN(C)CC 269982a_100011365200_200000210301 [0,1,1,0,0,0|2,0,0]=4 2771 B8R0.19 CCC(O)CN([13CH3])CC 2230a_100011365200_200025704644 [0,1,1,0,0,0|2,0,0]=4 2772 B8R0.19 CCC(O)CN([13CH3])CC 269982a_100011365200_200025704644 [0,1,1,0,0,0|2,0,0]=4 2773 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [0,1,1,0,0,0|2,0,0]=4 2774 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [0,1,1,0,0,0|2,0,0]=4 2775 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [0,1,1,0,0,0|2,0,0]=4 2776 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [0,1,1,0,0,0|2,0,0]=4 2777 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [0,1,1,0,0,0|2,0,0]=4 2778 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [0,1,1,0,0,0|2,0,0]=4 2779 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,1,1,0,0,0|2,0,0]=4 2780 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,1,1,0,0,0|2,0,0]=4 2781 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,1,1,0,0,0|2,0,0]=4 2782 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,1,1,0,0,0|1,0,0]=3 2783 B8R0.19 CC[C@H](C)CN(C)CC 2230a_100000225621_100009816398 [0,1,1,0,0,0|2,0,0]=4 2784 B8R0.19 CC[C@H](C)CN(C)CC 269982a_100000225621_100009816398 [0,1,1,0,0,0|2,0,0]=4 2785 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,1,1,0,0,0|2,0,0]=4 2786 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,1,1,0,0,0|2,0,0]=4 2787 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,1,1,0,0,0|2,0,0]=4 2788 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,1,1,0,0,0|2,0,0]=4 2789 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,1,1,0,0,0|2,0,0]=4 2790 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,1,1,0,0,0|2,0,0]=4 2791 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,1,1,0,0,0|2,0,0]=4 2792 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,1,1,0,0,0|2,0,0]=4 2793 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,1,1,0,0,0|2,0,0]=4 2794 B8R0.25 C=CCNC(C)(C)CC 2230a_100000211385_100000210623 [0,1,1,0,0,0|2,0,0]=4 2795 B8R0.25 C=CCOC(C)(C)CC 7a_100000210230_100015514636 [0,1,1,0,0,0|2,0,0]=4 2796 B8R0.25 C=CCSC(C)(C)CC 62a_100000032637_100000210623 [0,1,1,0,0,0|2,0,0]=4 2797 B8R0.25 C=CCSC(C)(C)CC 62a_100000210623_100000032637 [0,1,1,0,0,0|2,0,0]=4 2798 B8R0.25 CC(C)(CCl)OCC=O 7a_100000764493_200015260668 [0,1,1,0,0,0|2,0,0]=4 2799 B8R0.25 CC(C)(CO)NCC=O 2230a_100000210608_200015260668 [0,1,1,0,0,0|2,0,0]=4 2800 B8R0.25 CCC(C)(C)NCC=O 2230a_100000211385_200015260668 [0,1,1,0,0,0|1,0,0]=3 2801 B8R0.25 CCC(C)(C)OCC=O 7a_100000210230_200015260668 [0,1,1,0,0,0|1,0,0]=3 2802 B8R0.25 CCC(C)(C)SCC=O 62a_100000032637_200015260668 [0,1,1,0,0,0|1,0,0]=3 2803 B8R0.25 CCC(C)(C)SCC=O 62a_200015260668_100000032637 [0,1,1,0,0,0|1,0,0]=3 2804 B8R0.25 CCCCS(=O)(=O)NC 270084a_100102657272_100000212082 [0,1,1,0,0,0|2,0,0]=4 2805 B8R0.25 CCCCS(=O)(=O)NC 274078a_100102657272_100000212082 [0,1,1,0,0,0|2,0,0]=4 2806 B8R0.25 CCCCS(=O)(=O)NC 40a_100102657272_100000054263 [0,1,1,0,0,0|2,0,0]=4 2807 B8R0.25 CCCNS(=O)(=O)CC 270084a_100020643023_100000211323 [0,1,1,0,0,0|2,0,0]=4 2808 B8R0.25 CCCNS(=O)(=O)CC 274078a_100020643023_100000211323 [0,1,1,0,0,0|2,0,0]=4 2809 B8R0.25 CCCNS(=O)(=O)CC 40a_100020643023_100000053943 [0,1,1,0,0,0|2,0,0]=4 2810 B8R0.25 CCS(=O)(=O)CCNC 2230a_100000751051_200000210301 [0,1,1,0,0,0|2,0,0]=4 2811 B8R0.25 CCS(=O)(=O)CCNC 2230a_106832991635_100000756660 [0,1,1,0,0,0|2,0,0]=4 2812 B8R0.25 CCS(=O)(=O)CCNC 34a_100000751051_200000210301 [0,1,1,0,0,0|2,0,0]=4 2813 B8R0.25 CCS(=O)(=O)CCNC 34a_100102657272_100000756660 [0,1,1,0,0,0|2,0,0]=4 2814 B8R0.25 CCS(=O)(=O)CCNC 7a_106832991635_100000756660 [0,1,1,0,0,0|2,0,0]=4 2815 B8R0.25 CCS(=O)(=O)CCN[13CH3] 2230a_100000751051_200025704644 [0,1,1,0,0,0|2,0,0]=4 2816 B8R0.25 CCS(=O)(=O)CCN[13CH3] 34a_100000751051_200025704644 [0,1,1,0,0,0|2,0,0]=4 2817 B8R0.25 CCS(=O)(=O)CCOC 34a_100138415774_100000756660 [0,1,1,0,0,0|2,0,0]=4 2818 B8R0.25 CCS(=O)(=O)CCOC 34a_200011216379_200000210301 [0,1,1,0,0,0|2,0,0]=4 2819 B8R0.25 CCS(=O)(=O)CCOC 7a_200011216379_200000210301 [0,1,1,0,0,0|2,0,0]=4 2820 B8R0.25 CCS(=O)(=O)CCO[13CH3] 34a_200011216379_200025704644 [0,1,1,0,0,0|2,0,0]=4 2821 B8R0.25 CCS(=O)(=O)CCO[13CH3] 7a_200011216379_200025704644 [0,1,1,0,0,0|2,0,0]=4 2822 B8R0.25 CCS(=O)(=O)CCSC 62a_100000756660_200000210301 [0,1,1,0,0,0|2,0,0]=4 2823 B8R0.25 CCS(=O)(=O)CCSC 62a_200000210301_100000756660 [0,1,1,0,0,0|2,0,0]=4 2824 B8R0.25 CCS(=O)(=O)CCS[13CH3] 62a_100000756660_200025704644 [0,1,1,0,0,0|2,0,0]=4 2825 B8R0.25 CCS(=O)(=O)CCS[13CH3] 62a_200025704644_100000756660 [0,1,1,0,0,0|2,0,0]=4 2826 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,1,1,0,0,0|1,0,1]=4 2827 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [0,1,1,0,0,0|1,0,1]=4 2828 B8R0.23 C=C(C)CN(C)C(C)C 2230a_100000225649_100000210206 [0,1,1,0,0,0|2,0,0]=4 2829 B8R0.23 C=C(C)CN(C)C(C)C 269982a_100000225649_100000210206 [0,1,1,0,0,0|2,0,0]=4 2830 B8R0.23 C=C(C)CN(C)C(C)C 269982a_200000211004_100000748629 [0,1,1,0,0,0|2,0,0]=4 2831 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [0,1,1,0,0,0|1,0,1]=4 2832 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,1,1,0,0,0|1,0,1]=4 2833 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,1,1,0,0,0|0,0,0]=2 2834 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,1,1,0,0,0|1,0,0]=3 2835 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,1,1,0,0,0|1,0,0]=3 2836 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,1,1,0,0,0|1,0,0]=3 2837 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,1,1,0,0,0|1,0,0]=3 2838 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,1,1,0,0,0|1,0,0]=3 2839 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,1,1,0,0,0|0,0,1]=3 2840 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [0,1,1,0,0,0|1,0,1]=4 2841 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,1,1,0,0,0|1,0,0]=3 2842 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,1,1,0,0,0|1,0,0]=3 2843 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,1,1,0,0,0|1,0,0]=3 2844 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,1,1,0,0,0|1,0,0]=3 2845 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,1,1,0,0,0|1,0,0]=3 2846 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,1,1,0,0,0|1,0,0]=3 2847 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [0,1,1,0,0,0|2,0,0]=4 2848 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [0,1,1,0,0,0|2,0,0]=4 2849 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,1,1,0,0,0|1,0,0]=3 2850 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,1,1,0,0,0|1,0,0]=3 2851 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,1,1,0,0,0|1,0,0]=3 2852 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,1,1,0,0,0|1,0,0]=3 2853 B8R0.23 CC(=O)OC(C)N(C)C 269982a_100102631434_100009818208 [0,1,1,0,0,0|2,0,0]=4 2854 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,1,1,0,0,0|0,0,0]=2 2855 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,1,1,0,0,0|1,0,1]=4 2856 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,1,1,0,0,0|1,0,1]=4 2857 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [0,1,1,0,0,0|1,0,1]=4 2858 B8R0.23 CC(C)CC(C)N(C)C 2230a_100000745462_200000210301 [0,1,1,0,0,0|2,0,0]=4 2859 B8R0.23 CC(C)CC(C)N(C)C 2230a_100102631434_100000731052 [0,1,1,0,0,0|2,0,0]=4 2860 B8R0.23 CC(C)CC(C)N(C)C 269982a_100000745462_200000210301 [0,1,1,0,0,0|2,0,0]=4 2861 B8R0.23 CC(C)CC(C)N(C)C 269982a_100102631434_100000731052 [0,1,1,0,0,0|2,0,0]=4 2862 B8R0.23 CC(C)CC(C)N(C)[13CH3] 2230a_100000745462_200025704644 [0,1,1,0,0,0|2,0,0]=4 2863 B8R0.23 CC(C)CC(C)N(C)[13CH3] 269982a_100000745462_200025704644 [0,1,1,0,0,0|2,0,0]=4 2864 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,1,1,0,0,0|0,0,0]=2 2865 B8R0.23 CC(C)N(C)CC(=O)N 2230a_100000739694_100000210206 [0,1,1,0,0,0|2,0,0]=4 2866 B8R0.23 CC(C)N(C)CC(=O)N 269982a_200000211004_100000187820 [0,1,1,0,0,0|2,0,0]=4 2867 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,1,1,0,0,0|2,0,0]=4 2868 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,1,1,0,0,0|1,0,0]=3 2869 B8R0.23 CC(C)N(C)CC(=O)[O-] 269982a_200000211004_100020667443 [0,1,1,0,0,0|2,0,0]=4 2870 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,1,1,0,0,0|1,0,1]=4 2871 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,1,1,0,0,0|2,0,0]=4 2872 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,1,1,0,0,0|2,0,0]=4 2873 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [0,1,1,0,0,0|2,0,0]=4 2874 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [0,1,1,0,0,0|2,0,0]=4 2875 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [0,1,1,0,0,0|2,0,0]=4 2876 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,1,1,0,0,0|2,0,0]=4 2877 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,1,1,0,0,0|2,0,0]=4 2878 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,1,1,0,0,0|2,0,0]=4 2879 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,1,1,0,0,0|2,0,0]=4 2880 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [0,1,1,0,0,0|2,0,0]=4 2881 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [0,1,1,0,0,0|2,0,0]=4 2882 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,1,1,0,0,0|2,0,0]=4 2883 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,1,1,0,0,0|2,0,0]=4 2884 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,1,1,0,0,0|2,0,0]=4 2885 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,1,1,0,0,0|2,0,0]=4 2886 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,1,1,0,0,0|2,0,0]=4 2887 B8R0.23 CC(C)SC(F)C(=O)N 62a_100000210206_100009813875 [0,1,1,0,0,0|2,0,0]=4 2888 B8R0.23 CC(C)SC(F)C(=O)N 62a_100009813875_100000210206 [0,1,1,0,0,0|2,0,0]=4 2889 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100000210206_100020610796 [0,1,1,0,0,0|2,0,0]=4 2890 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100020610796_100000210206 [0,1,1,0,0,0|2,0,0]=4 2891 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,1,1,0,0,0|1,0,0]=3 2892 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,1,1,0,0,0|1,0,0]=3 2893 B8R0.29 C=C(C)CNC(C)(C)C 2230a_100000715429_100000748629 [0,1,1,0,0,0|2,0,0]=4 2894 B8R0.29 C=C(C)COC(C)(C)C 34a_100000210245_100000210625 [0,1,1,0,0,0|2,0,0]=4 2895 B8R0.29 C=C(C)COC(C)(C)C 34a_100015890283_100000748629 [0,1,1,0,0,0|2,0,0]=4 2896 B8R0.29 C=C(C)COC(C)(C)C 7a_100015890283_100000748629 [0,1,1,0,0,0|2,0,0]=4 2897 B8R0.29 C=C(C)CSC(C)(C)C 62a_100000211941_100000211660 [0,1,1,0,0,0|2,0,0]=4 2898 B8R0.29 C=C(C)CSC(C)(C)C 62a_100000748629_100000211941 [0,1,1,0,0,0|2,0,0]=4 2899 B8R0.29 CC(=O)C#CC(C)(C)C 1458a_100011966651_200000210301 [0,1,1,0,0,0|0,0,2]=4 2900 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [0,1,1,0,0,0|0,0,0]=2 2901 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [0,1,1,0,0,0|0,0,0]=2 2902 B8R0.29 CC(=O)CCC(C)(F)F 1458a_100000030992_200000210301 [0,1,1,0,0,0|1,0,0]=3 2903 B8R0.29 CC(=O)CCC(F)(F)F 1458a_100000070787_100011219754 [0,1,1,0,0,0|2,0,0]=4 2904 B8R0.29 CC(=O)CCC(F)(F)F 1458a_100000755318_200000210301 [0,1,1,0,0,0|2,0,0]=4 2905 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000070787_100000731031 [0,1,1,0,0,0|2,0,0]=4 2906 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000737124_200000210301 [0,1,1,0,0,0|2,0,0]=4 2907 B8R0.29 CC(=O)CC[N+](C)(C)C 1458a_100000070787_100000085578 [0,1,1,0,0,0|1,0,0]=3 2908 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100000070787_200000733723 [0,1,1,0,0,0|0,1,0]=3 2909 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100011215282_200000210301 [0,1,1,0,0,0|0,1,0]=3 2910 B8R0.29 CC(=O)COC(C)(C)C 1458a_100000686494_200000210301 [0,1,1,0,0,0|1,0,0]=3 2911 B8R0.29 CC(=O)COC(C)(C)C 34a_100000211253_100000210625 [0,1,1,0,0,0|1,0,0]=3 2912 B8R0.29 CC(=O)NCC(C)(C)C 11a_100000743828_100015343762 [0,1,1,0,0,0|1,0,0]=3 2913 B8R0.29 CC(=O)NCC(C)(C)C 1626a_100000743828_100015343762 [0,1,1,0,0,0|1,0,0]=3 2914 B8R0.29 CC(=O)NCC(C)(C)C 240690a_100000743828_100015343762 [0,1,1,0,0,0|1,0,0]=3 2915 B8R0.29 CC(=O)NCC(C)(C)C 527a_100000743828_100103153847 [0,1,1,0,0,0|1,0,0]=3 2916 B8R0.29 CC(=O)NCC(C)(C)F 11a_100020643315_100015343762 [0,1,1,0,0,0|1,0,0]=3 2917 B8R0.29 CC(=O)NCC(C)(C)F 1626a_100020643315_100015343762 [0,1,1,0,0,0|1,0,0]=3 2918 B8R0.29 CC(=O)NCC(C)(C)F 240690a_100020643315_100015343762 [0,1,1,0,0,0|1,0,0]=3 2919 B8R0.29 CC(=O)NCC(C)(C)F 527a_100020643315_100103153847 [0,1,1,0,0,0|1,0,0]=3 2920 B8R0.29 CC(=O)NCC(C)(C)O 1626a_100000751335_100015343762 [0,1,1,0,0,0|1,0,0]=3 2921 B8R0.29 CC(=O)NCC(C)(C)O 240690a_100000751335_100015343762 [0,1,1,0,0,0|1,0,0]=3 2922 B8R0.29 CC(=O)NCC(C)(C)O 527a_100000751335_100103153847 [0,1,1,0,0,0|1,0,0]=3 2923 B8R0.29 CC(=O)NCC(C)(F)F 11a_100000731000_100015343762 [0,1,1,0,0,0|2,0,0]=4 2924 B8R0.29 CC(=O)NCC(C)(F)F 1626a_100000731000_100015343762 [0,1,1,0,0,0|2,0,0]=4 2925 B8R0.29 CC(=O)NCC(C)(F)F 240690a_100000731000_100015343762 [0,1,1,0,0,0|2,0,0]=4 2926 B8R0.29 CC(=O)NCC(C)(F)F 527a_100000731000_100103153847 [0,1,1,0,0,0|2,0,0]=4 2927 B8R0.29 CC(=O)NC[Si](C)(C)C 11a_102516607284_100015343762 [0,1,1,0,0,0|1,1,0]=4 2928 B8R0.29 CC(=O)NC[Si](C)(C)C 1626a_102516607284_100015343762 [0,1,1,0,0,0|1,1,0]=4 2929 B8R0.29 CC(=O)NC[Si](C)(C)C 240690a_102516607284_100015343762 [0,1,1,0,0,0|1,1,0]=4 2930 B8R0.29 CC(=O)NC[Si](C)(C)C 527a_102516607284_100103153847 [0,1,1,0,0,0|1,1,0]=4 2931 B8R0.29 CC(=O)NNC(C)(C)C 22a_100000725372_100000070787 [0,1,1,0,0,0|2,0,0]=4 2932 B8R0.29 CC(C)(C)C#CC(=O)[13CH3] 1458a_100011966651_200025704644 [0,1,1,0,0,0|0,0,2]=4 2933 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [0,1,1,0,0,0|0,0,0]=2 2934 B8R0.29 CC(C)(C)NCC(=O)N 2230a_100000715429_100000747473 [0,1,1,0,0,0|2,0,0]=4 2935 B8R0.29 CC(C)(C)NCC(=O)O 269956a_100016091260_100000211941 [0,1,1,0,0,0|2,0,0]=4 2936 B8R0.29 CC(C)(C)OCC(=O)N 34a_100015890283_100000187820 [0,1,1,0,0,0|2,0,0]=4 2937 B8R0.29 CC(C)(C)OCC(=O)N 7a_100015890283_100000187820 [0,1,1,0,0,0|2,0,0]=4 2938 B8R0.29 CC(C)(C)OCC(=O)[13CH3] 1458a_100000686494_200025704644 [0,1,1,0,0,0|1,0,0]=3 2939 B8R0.29 CC(C)(C)OCC(=O)[O-] 34a_100015890283_100020667443 [0,1,1,0,0,0|2,0,0]=4 2940 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000211941_100000747473 [0,1,1,0,0,0|2,0,0]=4 2941 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000747473_100000211941 [0,1,1,0,0,0|2,0,0]=4 2942 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100000211941_100020667443 [0,1,1,0,0,0|2,0,0]=4 2943 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100020667443_100000211941 [0,1,1,0,0,0|2,0,0]=4 2944 B8R0.29 CC(C)CNS(=O)(=O)C 40a_100000210953_100000738038 [0,1,1,0,0,0|2,0,0]=4 2945 B8R0.29 CC(F)(F)CCC(=O)[13CH3] 1458a_100000030992_200025704644 [0,1,1,0,0,0|1,0,0]=3 2946 B8R0.29 CN(C)CCC(C)(C)C 2230a_100102631434_100000755188 [0,1,1,0,0,0|2,0,0]=4 2947 B8R0.29 CN(C)CCC(C)(C)C 269982a_100102631434_100000755188 [0,1,1,0,0,0|2,0,0]=4 2948 B8R0.29 CN(C)CCC(C)(C)O 2230a_100102631434_100000702414 [0,1,1,0,0,0|2,0,0]=4 2949 B8R0.29 CN(C)CCS(=O)(=O)C 2230a_100000750128_200000210301 [0,1,1,0,0,0|2,0,0]=4 2950 B8R0.29 CN(C)CCS(=O)(=O)C 2230a_100102631434_100000731031 [0,1,1,0,0,0|2,0,0]=4 2951 B8R0.29 CN(C)CCS(=O)(=O)C 269982a_100000750128_200000210301 [0,1,1,0,0,0|2,0,0]=4 2952 B8R0.29 CN(C)CCS(=O)(=O)C 269982a_100102631434_100000731031 [0,1,1,0,0,0|2,0,0]=4 2953 B8R0.29 CN(C)CCS(=O)(=O)C 34a_100000750128_200000210301 [0,1,1,0,0,0|2,0,0]=4 2954 B8R0.29 CN([13CH3])CCS(=O)(=O)C 2230a_100000750128_200025704644 [0,1,1,0,0,0|2,0,0]=4 2955 B8R0.29 CN([13CH3])CCS(=O)(=O)C 269982a_100000750128_200025704644 [0,1,1,0,0,0|2,0,0]=4 2956 B8R0.29 CN([13CH3])CCS(=O)(=O)C 34a_100000750128_200025704644 [0,1,1,0,0,0|2,0,0]=4 2957 B8R0.29 CS(=O)(=O)CCC(=O)[13CH3] 1458a_100000737124_200025704644 [0,1,1,0,0,0|2,0,0]=4 2958 B8R0.29 C[Si](C)(C)CCC(=O)[13CH3] 1458a_100011215282_200025704644 [0,1,1,0,0,0|0,1,0]=3 2959 B8R0.29 [13CH3]C(=O)CCC(F)(F)F 1458a_100000755318_200025704644 [0,1,1,0,0,0|2,0,0]=4 2960 B8R1.2 CCN1CC=CCC1 2230a_100000698166_100000210202 [1,1,0,0,0,0|1,0,1]=4 2961 B8R1.2 CCN1CC=CCC1 269982a_100000698166_100000204670 [1,1,0,0,0,0|1,0,1]=4 2962 B8R1.2 CCN1CC=CCC1 34a_100000698166_100000210202 [1,1,0,0,0,0|1,0,1]=4 2963 B8R1.2 CCN1CCOCC1 2230a_100015191051_100000210202 [1,1,0,0,0,0|2,0,0]=4 2964 B8R1.2 CCN1CCOCC1 269982a_100015191051_100000204670 [1,1,0,0,0,0|2,0,0]=4 2965 B8R1.2 CCN1CCOCC1 34a_100015191051_100000210202 [1,1,0,0,0,0|2,0,0]=4 2966 B8R1.2 CCN1CCSCC1 2230a_100000737611_100000210202 [1,1,0,0,0,0|2,0,0]=4 2967 B8R1.2 CCN1CCSCC1 269982a_100000737611_100000204670 [1,1,0,0,0,0|2,0,0]=4 2968 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [1,1,0,0,0,0|0,0,1]=3 2969 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [1,1,0,0,0,0|0,0,1]=3 2970 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [1,1,0,0,0,0|0,0,1]=3 2971 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [1,1,0,0,0,0|0,0,1]=3 2972 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [1,1,0,0,0,0|0,0,1]=3 2973 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [1,1,0,0,0,0|1,0,1]=4 2974 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [1,1,0,0,0,0|1,0,1]=4 2975 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [1,1,0,0,0,0|1,0,1]=4 2976 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [1,1,0,0,0,0|1,0,1]=4 2977 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [1,1,0,0,0,0|1,0,1]=4 2978 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [1,1,0,0,0,0|1,0,1]=4 2979 B8R1.2 CNC1CCNCC1 270004a_106832991635_100015192401 [1,1,0,0,0,0|1,0,0]=3 2980 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [1,1,0,0,0,0|1,0,0]=3 2981 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [1,1,0,0,0,0|1,0,0]=3 2982 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [1,1,0,0,0,0|1,0,0]=3 2983 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [1,1,0,0,0,0|1,0,0]=3 2984 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [1,1,0,0,0,0|1,0,0]=3 2985 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [1,1,0,0,0,0|1,0,0]=3 2986 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [1,1,0,0,0,0|1,0,0]=3 2987 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [1,1,0,0,0,0|1,0,0]=3 2988 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [1,1,0,0,0,0|1,0,0]=3 2989 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [1,1,0,0,0,0|0,0,1]=3 2990 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,1,0,0,0,0|0,0,1]=3 2991 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,1,0,0,0,0|0,0,1]=3 2992 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,1,0,0,0,0|0,0,1]=3 2993 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [1,1,0,0,0,0|1,0,1]=4 2994 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [1,1,0,0,0,0|1,0,1]=4 2995 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [1,1,0,0,0,0|1,0,1]=4 2996 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [1,1,0,0,0,0|1,0,1]=4 2997 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [1,1,0,0,0,0|1,0,0]=3 2998 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [1,1,0,0,0,0|1,0,0]=3 2999 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [1,1,0,0,0,0|1,0,0]=3 3000 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [1,1,0,0,0,0|1,0,0]=3 3001 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,1,0,0,0,0|0,0,1]=3 3002 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,1,0,0,0,0|0,0,1]=3 3003 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [1,1,0,0,0,0|1,0,1]=4 3004 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [1,1,0,0,0,0|1,0,0]=3 3005 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [1,1,0,0,0,0|1,0,0]=3 3006 B8R1.2 FCN1CC=CCC1 269982a_100000698166_100015361967 [1,1,0,0,0,0|1,0,1]=4 3007 B8R1.2 FCN1CC=CCC1 34a_100000698166_100015361967 [1,1,0,0,0,0|1,0,1]=4 3008 B8R1.2 FCN1CCOCC1 269982a_100015191051_100015361967 [1,1,0,0,0,0|2,0,0]=4 3009 B8R1.2 FCN1CCOCC1 34a_100015191051_100015361967 [1,1,0,0,0,0|2,0,0]=4 3010 B8R1.2 FCN1CCSCC1 269982a_100000737611_100015361967 [1,1,0,0,0,0|2,0,0]=4 3011 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [1,1,0,0,0,0|0,0,1]=3 3012 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [1,1,0,0,0,0|0,0,1]=3 3013 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [1,1,0,0,0,0|1,0,1]=4 3014 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [1,1,0,0,0,0|1,0,1]=4 3015 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [1,1,0,0,0,0|1,0,0]=3 3016 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [1,1,0,0,0,0|1,0,0]=3 3017 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [1,1,0,0,0,0|1,0,0]=3 3018 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [1,1,0,0,0,0|1,0,0]=3 3019 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [1,1,0,0,0,0|0,0,1]=3 3020 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,1,0,0,0,0|0,0,1]=3 3021 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,1,0,0,0,0|0,0,1]=3 3022 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [1,1,0,0,0,0|1,0,1]=4 3023 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [1,1,0,0,0,0|1,0,1]=4 3024 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [1,1,0,0,0,0|1,0,1]=4 3025 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [1,1,0,0,0,0|1,0,0]=3 3026 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [1,1,0,0,0,0|1,0,0]=3 3027 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [1,1,0,0,0,0|1,0,0]=3 3028 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,1,0,0,0,0|0,0,1]=3 3029 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,1,0,0,0,0|0,0,1]=3 3030 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [1,1,0,0,0,0|1,0,1]=4 3031 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [1,1,0,0,0,0|1,0,0]=3 3032 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [1,1,0,0,0,0|1,0,0]=3 3033 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [1,1,0,0,0,0|1,0,1]=4 3034 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [1,1,0,0,0,0|1,0,1]=4 3035 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [1,1,0,0,0,0|1,0,1]=4 3036 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [1,1,0,0,0,0|1,0,1]=4 3037 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [1,1,0,0,0,0|1,0,1]=4 3038 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [1,1,0,0,0,0|1,0,1]=4 3039 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [1,1,0,0,0,0|2,0,0]=4 3040 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [1,1,0,0,0,0|2,0,0]=4 3041 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [1,1,0,0,0,0|2,0,0]=4 3042 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [1,1,0,0,0,0|2,0,0]=4 3043 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [1,1,0,0,0,0|2,0,0]=4 3044 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [1,1,0,0,0,0|2,0,0]=4 3045 B8R1.4 CN1CCCC(C1)F 2230a_100000697950_200000210301 [1,1,0,0,0,0|1,0,1]=4 3046 B8R1.4 CN1CCCC(C1)F 269982a_100000697950_200000210301 [1,1,0,0,0,0|1,0,1]=4 3047 B8R1.4 CN1CCCC(C1)F 34a_100000697950_200000210301 [1,1,0,0,0,0|1,0,1]=4 3048 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [1,1,0,0,0,0|1,0,1]=4 3049 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [1,1,0,0,0,0|1,0,1]=4 3050 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [1,1,0,0,0,0|2,0,0]=4 3051 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,1,0,0,0,0|2,0,0]=4 3052 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [1,1,0,0,0,0|2,0,0]=4 3053 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [1,1,0,0,0,0|2,0,0]=4 3054 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [1,1,0,0,0,0|1,0,1]=4 3055 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [1,1,0,0,0,0|1,0,1]=4 3056 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [1,1,0,0,0,0|1,0,1]=4 3057 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [1,1,0,0,0,0|1,0,1]=4 3058 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [1,1,0,0,0,0|1,0,1]=4 3059 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [1,1,0,0,0,0|1,0,1]=4 3060 B8R1.4 [13CH3]N1CCCC(C1)F 2230a_100000697950_200025704644 [1,1,0,0,0,0|1,0,1]=4 3061 B8R1.4 [13CH3]N1CCCC(C1)F 269982a_100000697950_200025704644 [1,1,0,0,0,0|1,0,1]=4 3062 B8R1.4 [13CH3]N1CCCC(C1)F 34a_100000697950_200025704644 [1,1,0,0,0,0|1,0,1]=4 3063 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [1,1,0,0,0,0|1,0,1]=4 3064 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [1,1,0,0,0,0|1,0,1]=4 3065 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [1,1,0,0,0,0|2,0,0]=4 3066 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,1,0,0,0,0|2,0,0]=4 3067 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [1,1,0,0,0,0|2,0,0]=4 3068 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [1,1,0,0,0,0|2,0,0]=4 3069 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [1,1,0,0,0,0|1,0,1]=4 3070 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [1,1,0,0,0,0|1,0,1]=4 3071 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [1,1,0,0,0,0|1,0,1]=4 3072 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [1,1,0,0,0,0|1,0,1]=4 3073 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [1,1,0,0,0,0|1,0,1]=4 3074 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [1,1,0,0,0,0|1,0,1]=4 3075 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [1,1,0,0,0,0|2,0,0]=4 3076 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [1,1,0,0,0,0|2,0,0]=4 3077 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [1,1,0,0,0,0|2,0,0]=4 3078 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [1,1,0,0,0,0|2,0,0]=4 3079 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [1,1,0,0,0,0|2,0,0]=4 3080 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [1,1,0,0,0,0|2,0,0]=4 3081 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [0,1,0,0,1,0|0,0,2]=4 3082 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [0,1,0,0,1,0|2,0,0]=4 3083 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [0,1,0,0,1,0|2,0,0]=4 3084 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [0,1,0,0,1,0|2,0,0]=4 3085 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,1,0,0,1,0|2,0,0]=4 3086 B8R1.1 CN1CCC(C1)CO 2230a_100000748654_200000210301 [0,1,0,0,1,0|2,0,0]=4 3087 B8R1.1 CN1CCC(C1)CO 269982a_100000748654_200000210301 [0,1,0,0,1,0|2,0,0]=4 3088 B8R1.1 CN1CCC(C1)CO 34a_100000748654_200000210301 [0,1,0,0,1,0|2,0,0]=4 3089 B8R1.1 CN1CCC(C1)S[13CH3] 62a_200025704644_200012183744 [0,1,0,0,1,0|2,0,0]=4 3090 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [0,1,0,0,1,0|1,0,1]=4 3091 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [0,1,0,0,1,0|0,0,2]=4 3092 B8R1.1 CNC1CCN(C1)C 7a_106832991635_200012183744 [0,1,0,0,1,0|2,0,0]=4 3093 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,1,0,0,1,0|1,0,0]=3 3094 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,1,0,0,1,0|2,0,0]=4 3095 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [0,1,0,0,1,0|0,0,2]=4 3096 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,1,0,0,1,0|0,0,0]=2 3097 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [0,1,0,0,1,0|0,0,2]=4 3098 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,1,0,0,1,0|1,0,0]=3 3099 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,1,0,0,1,0|2,0,0]=4 3100 B8R1.1 CO[C@@H]1CCN(C1)C 2230a_100000766984_200000210301 [0,1,0,0,1,0|2,0,0]=4 3101 B8R1.1 CO[C@@H]1CCN(C1)C 269982a_100000766984_200000210301 [0,1,0,0,1,0|2,0,0]=4 3102 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 2230a_100000766984_200025704644 [0,1,0,0,1,0|2,0,0]=4 3103 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 269982a_100000766984_200025704644 [0,1,0,0,1,0|2,0,0]=4 3104 B8R1.1 CSC1CCN(C1)C 62a_200000210301_200012183744 [0,1,0,0,1,0|2,0,0]=4 3105 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,1,0,0,1,0|2,0,0]=4 3106 B8R1.1 C[C@@H]1CCN(C1)CF 269982a_100016987628_100015361967 [0,1,0,0,1,0|2,0,0]=4 3107 B8R1.1 C[C@@H]1CCN(C1)CF 34a_100016987628_100015361967 [0,1,0,0,1,0|2,0,0]=4 3108 B8R1.1 [13CH3]N1CCC(C1)CO 2230a_100000748654_200025704644 [0,1,0,0,1,0|2,0,0]=4 3109 B8R1.1 [13CH3]N1CCC(C1)CO 269982a_100000748654_200025704644 [0,1,0,0,1,0|2,0,0]=4 3110 B8R1.1 [13CH3]N1CCC(C1)CO 34a_100000748654_200025704644 [0,1,0,0,1,0|2,0,0]=4 3111 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,1,0,0,1,0|1,0,0]=3 3112 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [0,1,0,0,1,0|0,0,2]=4 3113 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,1,0,0,1,0|0,0,0]=2 3114 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,1,0,0,1,0|1,0,0]=3 3115 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,1,0,0,1,0|2,0,0]=4 3116 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 2230a_200015306588_200000210301 [0,1,0,0,1,0|2,0,0]=4 3117 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 269982a_200015306588_200000210301 [0,1,0,0,1,0|2,0,0]=4 3118 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 2230a_200015306588_200025704644 [0,1,0,0,1,0|2,0,0]=4 3119 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 269982a_200015306588_200025704644 [0,1,0,0,1,0|2,0,0]=4 3120 B8R1.51 CC1(CCN(C1)[13CH3])C 2230a_100000764714_200025704644 [0,1,0,0,1,0|2,0,0]=4 3121 B8R1.51 CC1(CCN(C1)[13CH3])C 269982a_100000764714_200025704644 [0,1,0,0,1,0|2,0,0]=4 3122 B8R1.51 CC1(CCN(C1)[13CH3])O 2230a_100000718628_200025704644 [0,1,0,0,1,0|2,0,0]=4 3123 B8R1.51 CC1(CCN(C1)[13CH3])O 269982a_100000718628_200025704644 [0,1,0,0,1,0|2,0,0]=4 3124 B8R1.51 CN1CCC(C1)(C)C 2230a_100000764714_200000210301 [0,1,0,0,1,0|2,0,0]=4 3125 B8R1.51 CN1CCC(C1)(C)C 269982a_100000764714_200000210301 [0,1,0,0,1,0|2,0,0]=4 3126 B8R1.51 CN1CCC(C1)(C)O 2230a_100000718628_200000210301 [0,1,0,0,1,0|2,0,0]=4 3127 B8R1.51 CN1CCC(C1)(C)O 269982a_100000718628_200000210301 [0,1,0,0,1,0|2,0,0]=4 3128 B10R1.197 CC1CCCN(CC1)CF 269982a_100025706717_100015361967 [0,1,0,0,0,1|2,0,0]=4 3129 B10R1.197 CC1CCCN(CC1)CF 34a_100025706717_100015361967 [0,1,0,0,0,1|2,0,0]=4 3130 B10R1.197 CCC1CCCN(CC1)C 2230a_100000757272_200000210301 [0,1,0,0,0,1|2,0,0]=4 3131 B10R1.197 CCC1CCCN(CC1)C 269982a_100000757272_200000210301 [0,1,0,0,0,1|2,0,0]=4 3132 B10R1.197 CCC1CCCN(CC1)C 34a_100000757272_200000210301 [0,1,0,0,0,1|2,0,0]=4 3133 B10R1.197 CCC1CCCN(CC1)[13CH3] 2230a_100000757272_200025704644 [0,1,0,0,0,1|2,0,0]=4 3134 B10R1.197 CCC1CCCN(CC1)[13CH3] 269982a_100000757272_200025704644 [0,1,0,0,0,1|2,0,0]=4 3135 B10R1.197 CCC1CCCN(CC1)[13CH3] 34a_100000757272_200025704644 [0,1,0,0,0,1|2,0,0]=4 3136 B10R1.197 CCN1CCCC(CC1)C 2230a_100025706717_100000210202 [0,1,0,0,0,1|2,0,0]=4 3137 B10R1.197 CCN1CCCC(CC1)C 269982a_100025706717_100000204670 [0,1,0,0,0,1|2,0,0]=4 3138 B10R1.197 CCN1CCCC(CC1)C 34a_100025706717_100000210202 [0,1,0,0,0,1|2,0,0]=4 3139 B10R1.197 CCN1CCNC(=O)CC1 2230a_100000698595_100000210202 [0,1,0,0,0,1|1,0,0]=3 3140 B10R1.197 CCN1CCNC(=O)CC1 269982a_100000698595_100000204670 [0,1,0,0,0,1|1,0,0]=3 3141 B10R1.197 COC1CCCN(CC1)C 2230a_100016993962_200000210301 [0,1,0,0,0,1|2,0,0]=4 3142 B10R1.197 COC1CCCN(CC1)C 269982a_100016993962_200000210301 [0,1,0,0,0,1|2,0,0]=4 3143 B10R1.197 COC1CCCN(CC1)C 34a_100016993962_200000210301 [0,1,0,0,0,1|2,0,0]=4 3144 B10R1.197 COC1CCCN(CC1)[13CH3] 2230a_100016993962_200025704644 [0,1,0,0,0,1|2,0,0]=4 3145 B10R1.197 COC1CCCN(CC1)[13CH3] 269982a_100016993962_200025704644 [0,1,0,0,0,1|2,0,0]=4 3146 B10R1.197 COC1CCCN(CC1)[13CH3] 34a_100016993962_200025704644 [0,1,0,0,0,1|2,0,0]=4 3147 B10R1.197 O=C1CCN(CCN1)CF 269982a_100000698595_100015361967 [0,1,0,0,0,1|1,0,0]=3 3148 B10R1.302 CC1(CCCN(CC1)[13CH3])O 2230a_100000723723_200025704644 [0,1,0,0,0,1|2,0,0]=4 3149 B10R1.302 CC1(CCCN(CC1)[13CH3])O 269982a_100000723723_200025704644 [0,1,0,0,0,1|2,0,0]=4 3150 B10R1.302 CC1(CCCN(CC1)[13CH3])O 34a_100000723723_200025704644 [0,1,0,0,0,1|2,0,0]=4 3151 B10R1.302 CN1CCCC(CC1)(C)O 2230a_100000723723_200000210301 [0,1,0,0,0,1|2,0,0]=4 3152 B10R1.302 CN1CCCC(CC1)(C)O 269982a_100000723723_200000210301 [0,1,0,0,0,1|2,0,0]=4 3153 B10R1.302 CN1CCCC(CC1)(C)O 34a_100000723723_200000210301 [0,1,0,0,0,1|2,0,0]=4 3154 B10R1.332 CN1CCC(=O)N(CC1)C 2230a_100020591582_200000210301 [0,1,0,0,0,1|1,0,0]=3 3155 B10R1.332 CN1CCC(=O)N(CC1)C 269982a_100020591582_200000210301 [0,1,0,0,0,1|1,0,0]=3 3156 B10R1.332 CN1CCC(=O)N(CC1)C 34a_100020591582_200000210301 [0,1,0,0,0,1|1,0,0]=3 3157 B10R1.332 CN1CCN(CCC1=O)[13CH3] 2230a_100020591582_200025704644 [0,1,0,0,0,1|1,0,0]=3 3158 B10R1.332 CN1CCN(CCC1=O)[13CH3] 269982a_100020591582_200025704644 [0,1,0,0,0,1|1,0,0]=3 3159 B10R1.332 CN1CCN(CCC1=O)[13CH3] 34a_100020591582_200025704644 [0,1,0,0,0,1|1,0,0]=3 3160 B10R1.332 C[C@H]1CNC(=O)CCN1C 2230a_102125656889_200000210301 [0,1,0,0,0,1|1,0,0]=3 3161 B10R1.332 C[C@H]1CNC(=O)CCN1C 269982a_102125656889_200000210301 [0,1,0,0,0,1|1,0,0]=3 3162 B10R1.332 C[C@H]1CNC(=O)CCN1C 34a_102125656889_200000210301 [0,1,0,0,0,1|1,0,0]=3 3163 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 2230a_102125656889_200025704644 [0,1,0,0,0,1|1,0,0]=3 3164 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 269982a_102125656889_200025704644 [0,1,0,0,0,1|1,0,0]=3 3165 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 34a_102125656889_200025704644 [0,1,0,0,0,1|1,0,0]=3 3166 B10R1.1 C#CCN1CCC(=C)CC1 2230a_100000752442_100000038162 [0,2,0,0,0,0|2,0,0]=4 3167 B10R1.1 C#CCN1CCC(=C)CC1 34a_100000752442_100000184674 [0,2,0,0,0,0|2,0,0]=4 3168 B10R1.1 C#CCN1CCC(CC1)C 2230a_100000188429_100000038162 [0,2,0,0,0,0|2,0,0]=4 3169 B10R1.1 C#CCN1CCC(CC1)C 34a_100000188429_100000184674 [0,2,0,0,0,0|2,0,0]=4 3170 B10R1.1 C#CCN1CCS(=O)CC1 2230a_100000752083_100000038162 [0,2,0,0,0,0|2,0,0]=4 3171 B10R1.1 C=C1CCC(CC1)COC 34a_100000074039_200000210301 [0,2,0,0,0,0|1,0,0]=3 3172 B10R1.1 C=C1CCC(CC1)CO[13CH3] 34a_100000074039_200025704644 [0,2,0,0,0,0|1,0,0]=3 3173 B10R1.1 C=C1CCC(CC1)NCC 270004a_100015525214_100010272673 [0,2,0,0,0,0|1,0,0]=3 3174 B10R1.1 C=C1CCN(CC1)CC#N 2230a_100000752442_100011215382 [0,2,0,0,0,0|2,0,0]=4 3175 B10R1.1 C=C1CCN(CC1)CC#N 269982a_100000752442_100011214920 [0,2,0,0,0,0|2,0,0]=4 3176 B10R1.1 C=C1CCN(CC1)CC=O 2230a_100000752442_200015260668 [0,2,0,0,0,0|2,0,0]=4 3177 B10R1.1 C=C1CCN(CC1)CC=O 269982a_100000752442_200015260668 [0,2,0,0,0,0|2,0,0]=4 3178 B10R1.1 C=C1CCN(CC1)CC=O 34a_100000752442_200009817547 [0,2,0,0,0,0|2,0,0]=4 3179 B10R1.1 C=C1CCN(CC1)CCC 2230a_100000752442_100000210303 [0,2,0,0,0,0|2,0,0]=4 3180 B10R1.1 C=C1CCN(CC1)CCC 269982a_100000752442_100000210303 [0,2,0,0,0,0|2,0,0]=4 3181 B10R1.1 C=C1CCN(CC1)CCC 34a_100000752442_100000210303 [0,2,0,0,0,0|2,0,0]=4 3182 B10R1.1 C=C1CCN(CC1)CCF 2230a_100000752442_100011217306 [0,2,0,0,0,0|2,0,0]=4 3183 B10R1.1 C=C1CCN(CC1)CCF 269982a_100000752442_100011217306 [0,2,0,0,0,0|2,0,0]=4 3184 B10R1.1 C=C1CCN(CC1)CCF 34a_100000752442_100011217306 [0,2,0,0,0,0|2,0,0]=4 3185 B10R1.1 C=C1CCN(CC1)CCO 2230a_100000752442_100000211926 [0,2,0,0,0,0|2,0,0]=4 3186 B10R1.1 C=C1CCN(CC1)CCO 269982a_100000752442_100000211926 [0,2,0,0,0,0|2,0,0]=4 3187 B10R1.1 C=C1CCN(CC1)CCO 34a_100000752442_100000211926 [0,2,0,0,0,0|2,0,0]=4 3188 B10R1.1 C=C1CCN(CC1)COC 2230a_100000752442_100000766300 [0,2,0,0,0,0|2,0,0]=4 3189 B10R1.1 C=C1CCN(CC1)COC 269982a_100000752442_100000766300 [0,2,0,0,0,0|2,0,0]=4 3190 B10R1.1 C=C1CCN(CC1)CSC 2230a_100000752442_100011218213 [0,2,0,0,0,0|2,0,0]=4 3191 B10R1.1 C=C1CCN(CC1)CSC 269982a_100000752442_100011218213 [0,2,0,0,0,0|2,0,0]=4 3192 B10R1.1 C=C1CCN(CC1)CSC 34a_100000752442_100011218213 [0,2,0,0,0,0|2,0,0]=4 3193 B10R1.1 C=CCN1CCC(=C)CC1 2230a_100000752442_100000210623 [0,2,0,0,0,0|2,0,0]=4 3194 B10R1.1 C=CCN1CCC(=C)CC1 269982a_100000752442_100000210623 [0,2,0,0,0,0|2,0,0]=4 3195 B10R1.1 C=CCN1CCC(=C)CC1 34a_100000752442_100015514636 [0,2,0,0,0,0|2,0,0]=4 3196 B10R1.1 C=CCN1CCC(CC1)C 2230a_100000188429_100000210623 [0,2,0,0,0,0|2,0,0]=4 3197 B10R1.1 C=CCN1CCC(CC1)C 269982a_100000188429_100000210623 [0,2,0,0,0,0|2,0,0]=4 3198 B10R1.1 C=CCN1CCC(CC1)C 34a_100000188429_100015514636 [0,2,0,0,0,0|2,0,0]=4 3199 B10R1.1 C=CCN1CCS(=O)CC1 2230a_100000752083_100000210623 [0,2,0,0,0,0|2,0,0]=4 3200 B10R1.1 C=CCN1CCS(=O)CC1 269982a_100000752083_100000210623 [0,2,0,0,0,0|2,0,0]=4 3201 B10R1.1 CC1CCC(CC1)CN[13CH3] 2230a_103436935547_200025704644 [0,2,0,0,0,0|1,0,1]=4 3202 B10R1.1 CC1CCC(CC1)CN[13CH3] 34a_103436935547_200025704644 [0,2,0,0,0,0|1,0,1]=4 3203 B10R1.1 CC1CCC(CC1)CO[13CH3] 34a_100000701341_200025704644 [0,2,0,0,0,0|0,0,2]=4 3204 B10R1.1 CC1CCC(CC1)OCF 34a_100000210714_100015361967 [0,2,0,0,0,0|0,0,2]=4 3205 B10R1.1 CC1CCC(CC1)OCF 7a_100000210714_100015361967 [0,2,0,0,0,0|0,0,2]=4 3206 B10R1.1 CC1CCC(CC1)SCF 62a_100015361967_200011216234 [0,2,0,0,0,0|0,1,1]=4 3207 B10R1.1 CC1CCN(CC1)CC#N 2230a_100000188429_100011215382 [0,2,0,0,0,0|2,0,0]=4 3208 B10R1.1 CC1CCN(CC1)CC#N 269982a_100000188429_100011214920 [0,2,0,0,0,0|2,0,0]=4 3209 B10R1.1 CC1CCN(CC1)CC=O 2230a_100000188429_200015260668 [0,2,0,0,0,0|1,0,0]=3 3210 B10R1.1 CC1CCN(CC1)CC=O 269982a_100000188429_200015260668 [0,2,0,0,0,0|1,0,0]=3 3211 B10R1.1 CC1CCN(CC1)CC=O 34a_100000188429_200009817547 [0,2,0,0,0,0|1,0,0]=3 3212 B10R1.1 CC1CCN(CC1)CCF 2230a_100000188429_100011217306 [0,2,0,0,0,0|2,0,0]=4 3213 B10R1.1 CC1CCN(CC1)CCF 269982a_100000188429_100011217306 [0,2,0,0,0,0|2,0,0]=4 3214 B10R1.1 CC1CCN(CC1)CCF 34a_100000188429_100011217306 [0,2,0,0,0,0|2,0,0]=4 3215 B10R1.1 CC1CCN(CC1)CCO 2230a_100000188429_100000211926 [0,2,0,0,0,0|1,0,1]=4 3216 B10R1.1 CC1CCN(CC1)CCO 269982a_100000188429_100000211926 [0,2,0,0,0,0|1,0,1]=4 3217 B10R1.1 CC1CCN(CC1)CCO 34a_100000188429_100000211926 [0,2,0,0,0,0|1,0,1]=4 3218 B10R1.1 CCCC1CCN(CC1)C 2230a_100015355601_200000210301 [0,2,0,0,0,0|2,0,0]=4 3219 B10R1.1 CCCC1CCN(CC1)C 269982a_100015355601_200000210301 [0,2,0,0,0,0|2,0,0]=4 3220 B10R1.1 CCCC1CCN(CC1)C 34a_100015355601_200000210301 [0,2,0,0,0,0|2,0,0]=4 3221 B10R1.1 CCCC1CCN(CC1)[13CH3] 2230a_100015355601_200025704644 [0,2,0,0,0,0|2,0,0]=4 3222 B10R1.1 CCCC1CCN(CC1)[13CH3] 269982a_100015355601_200025704644 [0,2,0,0,0,0|2,0,0]=4 3223 B10R1.1 CCCC1CCN(CC1)[13CH3] 34a_100015355601_200025704644 [0,2,0,0,0,0|2,0,0]=4 3224 B10R1.1 CCCN1CCC(CC1)C 2230a_100000188429_100000210303 [0,2,0,0,0,0|2,0,0]=4 3225 B10R1.1 CCCN1CCC(CC1)C 269982a_100000188429_100000210303 [0,2,0,0,0,0|2,0,0]=4 3226 B10R1.1 CCCN1CCC(CC1)C 34a_100000188429_100000210303 [0,2,0,0,0,0|2,0,0]=4 3227 B10R1.1 CCCN1CCS(=O)CC1 2230a_100000752083_100000210303 [0,2,0,0,0,0|2,0,0]=4 3228 B10R1.1 CCCN1CCS(=O)CC1 269982a_100000752083_100000210303 [0,2,0,0,0,0|2,0,0]=4 3229 B10R1.1 CCNC1CCC(=O)NC1 2230a_100000748762_100000210202 [0,2,0,0,0,0|1,0,0]=3 3230 B10R1.1 CCNC1CCC(=O)NC1 34a_100000748762_100000210202 [0,2,0,0,0,0|1,0,0]=3 3231 B10R1.1 CCNC1CCC(CC1)C 270004a_100015525214_100000185489 [0,2,0,0,0,0|1,0,1]=4 3232 B10R1.1 CCNC1CCC(CC1)O 270004a_100015525214_100000764474 [0,2,0,0,0,0|0,0,2]=4 3233 B10R1.1 CCNC1CCN(CC1)C 270004a_100015525214_100000210137 [0,2,0,0,0,0|2,0,0]=4 3234 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000210202 [0,2,0,0,0,0|1,0,1]=4 3235 B10R1.1 CCN[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000210202 [0,2,0,0,0,0|1,0,1]=4 3236 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [0,2,0,0,0,0|0,0,0]=2 3237 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [0,2,0,0,0,0|0,0,0]=2 3238 B10R1.1 CCOC1CCC(=O)NC1 34a_100000079199_100000210202 [0,2,0,0,0,0|1,0,0]=3 3239 B10R1.1 CCOC1CCC(CC1)C 34a_100000210714_100000210202 [0,2,0,0,0,0|0,0,2]=4 3240 B10R1.1 CCOC1CCC(CC1)C 34a_100121572206_200011216234 [0,2,0,0,0,0|0,0,2]=4 3241 B10R1.1 CCOC1CCC(CC1)C 7a_100000210714_100000210202 [0,2,0,0,0,0|0,0,2]=4 3242 B10R1.1 CCOC1CCN(CC1)C 2230a_100016990603_200000210301 [0,2,0,0,0,0|2,0,0]=4 3243 B10R1.1 CCOC1CCN(CC1)C 269982a_100016990603_200000210301 [0,2,0,0,0,0|2,0,0]=4 3244 B10R1.1 CCOC1CCN(CC1)C 34a_100016990603_200000210301 [0,2,0,0,0,0|2,0,0]=4 3245 B10R1.1 CCOC1CCN(CC1)[13CH3] 2230a_100016990603_200025704644 [0,2,0,0,0,0|2,0,0]=4 3246 B10R1.1 CCOC1CCN(CC1)[13CH3] 269982a_100016990603_200025704644 [0,2,0,0,0,0|2,0,0]=4 3247 B10R1.1 CCOC1CCN(CC1)[13CH3] 34a_100016990603_200025704644 [0,2,0,0,0,0|2,0,0]=4 3248 B10R1.1 CCOC1CNC(=O)NC1 34a_100000080929_100000210202 [0,2,0,0,0,0|2,0,0]=4 3249 B10R1.1 CCO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000210202 [0,2,0,0,0,0|1,0,1]=4 3250 B10R1.1 CCSC1CCC(CC1)C 62a_100000210202_200011216234 [0,2,0,0,0,0|0,1,1]=4 3251 B10R1.1 CCSC1CCN(CC1)C 62a_100000210202_100011215917 [0,2,0,0,0,0|2,0,0]=4 3252 B10R1.1 CN1CCC(CC1)CC#N 2230a_100000697787_200000210301 [0,2,0,0,0,0|2,0,0]=4 3253 B10R1.1 CN1CCC(CC1)CC#N 34a_100000697787_200000210301 [0,2,0,0,0,0|2,0,0]=4 3254 B10R1.1 CN1CCC(CC1)CCO 2230a_100015190746_200000210301 [0,2,0,0,0,0|2,0,0]=4 3255 B10R1.1 CN1CCC(CC1)CCO 269982a_100015190746_200000210301 [0,2,0,0,0,0|2,0,0]=4 3256 B10R1.1 CN1CCC(CC1)CCO 34a_100015190746_200000210301 [0,2,0,0,0,0|2,0,0]=4 3257 B10R1.1 CN1CCC(CC1)CS[13CH3] 62a_100015183002_200025704644 [0,2,0,0,0,0|2,0,0]=4 3258 B10R1.1 CN1CCC(CC1)CS[13CH3] 62a_200025704644_100015183002 [0,2,0,0,0,0|2,0,0]=4 3259 B10R1.1 CN1CCC(CC1)SCF 62a_100015361967_100011215917 [0,2,0,0,0,0|2,0,0]=4 3260 B10R1.1 CN1CCN(CC1)CC=O 2230a_100000188432_200015260668 [0,2,0,0,0,0|2,0,0]=4 3261 B10R1.1 CN1CCN(CC1)CC=O 269982a_100000188432_200015260668 [0,2,0,0,0,0|2,0,0]=4 3262 B10R1.1 CNCC1CCC(CC1)C 2230a_103436935547_200000210301 [0,2,0,0,0,0|1,0,1]=4 3263 B10R1.1 CNCC1CCC(CC1)C 34a_103436935547_200000210301 [0,2,0,0,0,0|1,0,1]=4 3264 B10R1.1 COCC1CCC(=O)CC1 34a_100000062911_200000210301 [0,2,0,0,0,0|0,0,0]=2 3265 B10R1.1 COCC1CCC(CC1)C 34a_100000701341_200000210301 [0,2,0,0,0,0|0,0,2]=4 3266 B10R1.1 COCC1CCN(CC1)C 2230a_100000755097_200000210301 [0,2,0,0,0,0|2,0,0]=4 3267 B10R1.1 COCC1CCN(CC1)C 269982a_100000755097_200000210301 [0,2,0,0,0,0|2,0,0]=4 3268 B10R1.1 COCC1CCN(CC1)C 34a_100000755097_200000210301 [0,2,0,0,0,0|2,0,0]=4 3269 B10R1.1 COCC1CCN(CC1)[13CH3] 2230a_100000755097_200025704644 [0,2,0,0,0,0|2,0,0]=4 3270 B10R1.1 COCC1CCN(CC1)[13CH3] 269982a_100000755097_200025704644 [0,2,0,0,0,0|2,0,0]=4 3271 B10R1.1 COCC1CCN(CC1)[13CH3] 34a_100000755097_200025704644 [0,2,0,0,0,0|2,0,0]=4 3272 B10R1.1 COCN1CCC(CC1)C 2230a_100000188429_100000766300 [0,2,0,0,0,0|1,0,1]=4 3273 B10R1.1 COCN1CCC(CC1)C 269982a_100000188429_100000766300 [0,2,0,0,0,0|1,0,1]=4 3274 B10R1.1 COCN1CCS(=O)CC1 2230a_100000752083_100000766300 [0,2,0,0,0,0|2,0,0]=4 3275 B10R1.1 COCN1CCS(=O)CC1 269982a_100000752083_100000766300 [0,2,0,0,0,0|2,0,0]=4 3276 B10R1.1 COC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200000210301 [0,2,0,0,0,0|1,0,1]=4 3277 B10R1.1 CSCC1CCN(CC1)C 2230a_100015187637_200000210301 [0,2,0,0,0,0|2,0,0]=4 3278 B10R1.1 CSCC1CCN(CC1)C 269982a_100015187637_200000210301 [0,2,0,0,0,0|2,0,0]=4 3279 B10R1.1 CSCC1CCN(CC1)C 34a_100015187637_200000210301 [0,2,0,0,0,0|2,0,0]=4 3280 B10R1.1 CSCC1CCN(CC1)C 62a_100015183002_200000210301 [0,2,0,0,0,0|2,0,0]=4 3281 B10R1.1 CSCC1CCN(CC1)C 62a_200000210301_100015183002 [0,2,0,0,0,0|2,0,0]=4 3282 B10R1.1 CSCC1CCN(CC1)[13CH3] 2230a_100015187637_200025704644 [0,2,0,0,0,0|2,0,0]=4 3283 B10R1.1 CSCC1CCN(CC1)[13CH3] 269982a_100015187637_200025704644 [0,2,0,0,0,0|2,0,0]=4 3284 B10R1.1 CSCC1CCN(CC1)[13CH3] 34a_100015187637_200025704644 [0,2,0,0,0,0|2,0,0]=4 3285 B10R1.1 CSCN1CCC(CC1)C 2230a_100000188429_100011218213 [0,2,0,0,0,0|1,1,0]=4 3286 B10R1.1 CSCN1CCC(CC1)C 269982a_100000188429_100011218213 [0,2,0,0,0,0|1,1,0]=4 3287 B10R1.1 CSCN1CCC(CC1)C 34a_100000188429_100011218213 [0,2,0,0,0,0|1,1,0]=4 3288 B10R1.1 CSCN1CCS(=O)CC1 2230a_100000752083_100011218213 [0,2,0,0,0,0|2,0,0]=4 3289 B10R1.1 CSCN1CCS(=O)CC1 269982a_100000752083_100011218213 [0,2,0,0,0,0|2,0,0]=4 3290 B10R1.1 C[C@H]1CC[C@@H](CC1)NCF 34a_100020625639_100015361967 [0,2,0,0,0,0|1,0,1]=4 3291 B10R1.1 N#CCN1CCS(=O)CC1 2230a_100000752083_100011215382 [0,2,0,0,0,0|2,0,0]=4 3292 B10R1.1 N#CCN1CCS(=O)CC1 269982a_100000752083_100011214920 [0,2,0,0,0,0|2,0,0]=4 3293 B10R1.1 N[C@H]1CC[C@H](CC1)OCF 34a_100020628982_100015361967 [0,2,0,0,0,0|1,0,1]=4 3294 B10R1.1 O=C1CCC(CC1)OCF 34a_100000764474_100015361967 [0,2,0,0,0,0|0,0,0]=2 3295 B10R1.1 O=C1CCC(CC1)OCF 7a_100000764474_100015361967 [0,2,0,0,0,0|0,0,0]=2 3296 B10R1.1 O=C1CCC(CN1)NCF 34a_100000748762_100015361967 [0,2,0,0,0,0|1,0,0]=3 3297 B10R1.1 O=C1CCC(CN1)OCF 34a_100000079199_100015361967 [0,2,0,0,0,0|1,0,0]=3 3298 B10R1.1 O=C1NCC(CN1)OCF 34a_100000080929_100015361967 [0,2,0,0,0,0|2,0,0]=4 3299 B10R1.1 O=CCN1CCC(CC1)F 2230a_100015193889_200015260668 [0,2,0,0,0,0|2,0,0]=4 3300 B10R1.1 O=CCN1CCC(CC1)F 269982a_100015193889_200015260668 [0,2,0,0,0,0|2,0,0]=4 3301 B10R1.1 O=CCN1CCC(CC1)F 34a_100015193889_200009817547 [0,2,0,0,0,0|2,0,0]=4 3302 B10R1.1 O=CCN1CCC(CC1)O 2230a_100025773856_200015260668 [0,2,0,0,0,0|2,0,0]=4 3303 B10R1.1 O=CCN1CCC(CC1)O 269982a_100025773856_200015260668 [0,2,0,0,0,0|2,0,0]=4 3304 B10R1.1 O=CCN1CCS(=O)CC1 2230a_100000752083_200015260668 [0,2,0,0,0,0|2,0,0]=4 3305 B10R1.1 O=CCN1CCS(=O)CC1 269982a_100000752083_200015260668 [0,2,0,0,0,0|2,0,0]=4 3306 B10R1.1 O=S1CCN(CC1)CCF 2230a_100000752083_100011217306 [0,2,0,0,0,0|2,0,0]=4 3307 B10R1.1 O=S1CCN(CC1)CCF 269982a_100000752083_100011217306 [0,2,0,0,0,0|2,0,0]=4 3308 B10R1.1 O=S1CCN(CC1)CCO 2230a_100000752083_100000211926 [0,2,0,0,0,0|2,0,0]=4 3309 B10R1.1 O=S1CCN(CC1)CCO 269982a_100000752083_100000211926 [0,2,0,0,0,0|2,0,0]=4 3310 B10R1.1 [13CH3]N1CCC(CC1)CC#N 2230a_100000697787_200025704644 [0,2,0,0,0,0|2,0,0]=4 3311 B10R1.1 [13CH3]N1CCC(CC1)CC#N 34a_100000697787_200025704644 [0,2,0,0,0,0|2,0,0]=4 3312 B10R1.1 [13CH3]N1CCC(CC1)CCO 2230a_100015190746_200025704644 [0,2,0,0,0,0|2,0,0]=4 3313 B10R1.1 [13CH3]N1CCC(CC1)CCO 269982a_100015190746_200025704644 [0,2,0,0,0,0|2,0,0]=4 3314 B10R1.1 [13CH3]N1CCC(CC1)CCO 34a_100015190746_200025704644 [0,2,0,0,0,0|2,0,0]=4 3315 B10R1.1 [13CH3]OCC1CCC(=O)CC1 34a_100000062911_200025704644 [0,2,0,0,0,0|0,0,0]=2 3316 B10R1.1 [13CH3]OC[C@H]1CC[C@@H](CC1)N 34a_100009821084_200025704644 [0,2,0,0,0,0|1,0,1]=4 3317 B10R1.3 C#CC1CCC(CC1)NC 270004a_106832991635_100000722563 [0,2,0,0,0,0|1,0,1]=4 3318 B10R1.3 CCC1CCC(CC1)NC 2230a_100011194317_200000210301 [0,2,0,0,0,0|1,0,1]=4 3319 B10R1.3 CCC1CCC(CC1)NC 270004a_106832991635_100000210631 [0,2,0,0,0,0|1,0,1]=4 3320 B10R1.3 CCC1CCC(CC1)NC 34a_100011194317_200000210301 [0,2,0,0,0,0|1,0,1]=4 3321 B10R1.3 CCC1CCC(CC1)N[13CH3] 2230a_100011194317_200025704644 [0,2,0,0,0,0|1,0,1]=4 3322 B10R1.3 CCC1CCC(CC1)N[13CH3] 34a_100011194317_200025704644 [0,2,0,0,0,0|1,0,1]=4 3323 B10R1.3 CCC1CCC(CC1)OC 34a_100011215326_200000210301 [0,2,0,0,0,0|0,0,2]=4 3324 B10R1.3 CCC1CCC(CC1)OC 7a_100011215326_200000210301 [0,2,0,0,0,0|0,0,2]=4 3325 B10R1.3 CCC1CCC(CC1)O[13CH3] 34a_100011215326_200025704644 [0,2,0,0,0,0|0,0,2]=4 3326 B10R1.3 CCC1CCC(CC1)O[13CH3] 7a_100011215326_200025704644 [0,2,0,0,0,0|0,0,2]=4 3327 B10R1.3 CCC1CCN(CC1)CC 2230a_100000754474_100000210202 [0,2,0,0,0,0|2,0,0]=4 3328 B10R1.3 CCC1CCN(CC1)CC 269982a_100000754474_100000204670 [0,2,0,0,0,0|2,0,0]=4 3329 B10R1.3 CCC1CCN(CC1)CC 34a_100000754474_100000210202 [0,2,0,0,0,0|2,0,0]=4 3330 B10R1.3 CCC1CCN(CC1)CF 269982a_100000754474_100015361967 [0,2,0,0,0,0|2,0,0]=4 3331 B10R1.3 CCC1CCN(CC1)CF 34a_100000754474_100015361967 [0,2,0,0,0,0|2,0,0]=4 3332 B10R1.3 CCN1CCC(CC1)CF 2230a_100015203933_100000210202 [0,2,0,0,0,0|2,0,0]=4 3333 B10R1.3 CCN1CCC(CC1)CF 269982a_100015203933_100000204670 [0,2,0,0,0,0|2,0,0]=4 3334 B10R1.3 CCN1CCC(CC1)CF 34a_100015203933_100000210202 [0,2,0,0,0,0|2,0,0]=4 3335 B10R1.3 CCN1CCC(CC1)CO 2230a_100000738675_100000210202 [0,2,0,0,0,0|2,0,0]=4 3336 B10R1.3 CCN1CCC(CC1)CO 269982a_100000738675_100000204670 [0,2,0,0,0,0|2,0,0]=4 3337 B10R1.3 CCN1CCC(CC1)CO 34a_100000738675_100000210202 [0,2,0,0,0,0|2,0,0]=4 3338 B10R1.3 CCN1CCC(CC1)NC 2230a_100000199033_200000210301 [0,2,0,0,0,0|2,0,0]=4 3339 B10R1.3 CCN1CCC(CC1)NC 270004a_106832991635_100000211075 [0,2,0,0,0,0|2,0,0]=4 3340 B10R1.3 CCN1CCC(CC1)N[13CH3] 2230a_100000199033_200025704644 [0,2,0,0,0,0|2,0,0]=4 3341 B10R1.3 CCN1CCC(CC1)OC 2230a_100000234800_100000210202 [0,2,0,0,0,0|2,0,0]=4 3342 B10R1.3 CCN1CCC(CC1)OC 269982a_100000234800_100000204670 [0,2,0,0,0,0|2,0,0]=4 3343 B10R1.3 CCN1CCC(CC1)OC 34a_100000234800_100000210202 [0,2,0,0,0,0|2,0,0]=4 3344 B10R1.3 CCN1CCC(CC1)OC 7a_100000231353_200000210301 [0,2,0,0,0,0|2,0,0]=4 3345 B10R1.3 CCN1CCC(CC1)O[13CH3] 7a_100000231353_200025704644 [0,2,0,0,0,0|2,0,0]=4 3346 B10R1.3 CCN1CCC(CC1)SC 2230a_100015202541_100000210202 [0,2,0,0,0,0|2,0,0]=4 3347 B10R1.3 CCN1CCC(CC1)SC 269982a_100015202541_100000204670 [0,2,0,0,0,0|2,0,0]=4 3348 B10R1.3 CCN1CCC(CC1)SC 34a_100015202541_100000210202 [0,2,0,0,0,0|2,0,0]=4 3349 B10R1.3 CNC1CCC(CC1)C#N 2230a_100102422146_200000210301 [0,2,0,0,0,0|1,0,1]=4 3350 B10R1.3 CNC1CCC(CC1)C#N 270004a_106832991635_100009880307 [0,2,0,0,0,0|1,0,1]=4 3351 B10R1.3 CNC1CCC(CC1)C#N 34a_100102422146_200000210301 [0,2,0,0,0,0|1,0,1]=4 3352 B10R1.3 CNC1CCC(CC1)CO 270004a_106832991635_100000062911 [0,2,0,0,0,0|0,0,2]=4 3353 B10R1.3 CNC1CCC(CC1)NC 270004a_106832991635_200016988011 [0,2,0,0,0,0|1,0,1]=4 3354 B10R1.3 CNC1CCC(CC1)OC 270004a_106832991635_100000747084 [0,2,0,0,0,0|0,0,2]=4 3355 B10R1.3 CNC1CCC(CC1)OC 34a_100015205214_200000210301 [0,2,0,0,0,0|0,0,2]=4 3356 B10R1.3 CN[C@H]1CC[C@@H](CC1)CO 34a_100009821084_200000210301 [0,2,0,0,0,0|0,0,2]=4 3357 B10R1.3 CN[C@H]1CC[C@H](CC1)OC 34a_100020636401_200000210301 [0,2,0,0,0,0|0,0,2]=4 3358 B10R1.3 CN[C@H]1CC[C@H](CC1)O[13CH3] 34a_100020636401_200025704644 [0,2,0,0,0,0|0,0,2]=4 3359 B10R1.3 COC1CCC(CC1)C#N 34a_100009859913_200000210301 [0,2,0,0,0,0|1,0,1]=4 3360 B10R1.3 COC1CCC(CC1)C#N 7a_100009859913_200000210301 [0,2,0,0,0,0|1,0,1]=4 3361 B10R1.3 COC1CCC(CC1)N[13CH3] 34a_100015205214_200025704644 [0,2,0,0,0,0|0,0,2]=4 3362 B10R1.3 COC1CCC(CC1)OC 34a_100011581665_200000210301 [0,2,0,0,0,0|0,0,2]=4 3363 B10R1.3 COC1CCC(CC1)OC 7a_100011581665_200000210301 [0,2,0,0,0,0|0,0,2]=4 3364 B10R1.3 COC1CCC(CC1)O[13CH3] 34a_100011581665_200025704644 [0,2,0,0,0,0|0,0,2]=4 3365 B10R1.3 COC1CCC(CC1)O[13CH3] 7a_100011581665_200025704644 [0,2,0,0,0,0|0,0,2]=4 3366 B10R1.3 COC1CCN(CC1)CF 269982a_100000234800_100015361967 [0,2,0,0,0,0|2,0,0]=4 3367 B10R1.3 COC1CCN(CC1)CF 34a_100000234800_100015361967 [0,2,0,0,0,0|2,0,0]=4 3368 B10R1.3 CSC1CCN(CC1)CF 269982a_100015202541_100015361967 [0,2,0,0,0,0|2,0,0]=4 3369 B10R1.3 CSC1CCN(CC1)CF 34a_100015202541_100015361967 [0,2,0,0,0,0|2,0,0]=4 3370 B10R1.3 FCC1CCN(CC1)CF 269982a_100015203933_100015361967 [0,2,0,0,0,0|2,0,0]=4 3371 B10R1.3 FCC1CCN(CC1)CF 34a_100015203933_100015361967 [0,2,0,0,0,0|2,0,0]=4 3372 B10R1.3 OCC1CCN(CC1)CF 269982a_100000738675_100015361967 [0,2,0,0,0,0|2,0,0]=4 3373 B10R1.3 OCC1CCN(CC1)CF 34a_100000738675_100015361967 [0,2,0,0,0,0|2,0,0]=4 3374 B10R1.3 [13CH3]NC1CCC(CC1)C#N 2230a_100102422146_200025704644 [0,2,0,0,0,0|1,0,1]=4 3375 B10R1.3 [13CH3]NC1CCC(CC1)C#N 34a_100102422146_200025704644 [0,2,0,0,0,0|1,0,1]=4 3376 B10R1.3 [13CH3]N[C@H]1CC[C@@H](CC1)CO 34a_100009821084_200025704644 [0,2,0,0,0,0|0,0,2]=4 3377 B10R1.3 [13CH3]OC1CCC(CC1)C#N 34a_100009859913_200025704644 [0,2,0,0,0,0|1,0,1]=4 3378 B10R1.3 [13CH3]OC1CCC(CC1)C#N 7a_100009859913_200025704644 [0,2,0,0,0,0|1,0,1]=4 3379 B10R1.13 C=C1CCC(CC1)C(=O)C 1458a_200000138047_200000210301 [0,2,0,0,0,0|1,0,0]=3 3380 B10R1.13 C=C1CCC(CC1)C(=O)[13CH3] 1458a_200000138047_200025704644 [0,2,0,0,0,0|1,0,0]=3 3381 B10R1.13 C=C1CCC(CC1)N(C)C 270004a_100102631434_100010272673 [0,2,0,0,0,0|1,0,0]=3 3382 B10R1.13 C=C1CCN(CC1)C(=O)C 11a_100000752442_100015343762 [0,2,0,0,0,0|2,0,0]=4 3383 B10R1.13 C=C1CCN(CC1)C(=O)C 1626a_100000752442_100015343762 [0,2,0,0,0,0|2,0,0]=4 3384 B10R1.13 C=C1CCN(CC1)C(=O)C 240690a_100000752442_100015343762 [0,2,0,0,0,0|2,0,0]=4 3385 B10R1.13 C=C1CCN(CC1)C(=O)C 527a_100000752442_100103153847 [0,2,0,0,0,0|2,0,0]=4 3386 B10R1.13 C=C1CCN(CC1)C(C)C 2230a_100000752442_100000210206 [0,2,0,0,0,0|2,0,0]=4 3387 B10R1.13 C=C1CCN(CC1)C(C)C 269982a_100000752442_100000210206 [0,2,0,0,0,0|2,0,0]=4 3388 B10R1.13 C=C1CCN(CC1)C(C)C 34a_100000752442_100000210206 [0,2,0,0,0,0|2,0,0]=4 3389 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [0,2,0,0,0,0|1,0,1]=4 3390 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [0,2,0,0,0,0|1,0,0]=3 3391 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,2,0,0,0,0|0,0,1]=3 3392 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,2,0,0,0,0|0,0,2]=4 3393 B10R1.13 CC(=O)C1CCN(CC1)C 1458a_100000743488_200000210301 [0,2,0,0,0,0|1,0,1]=4 3394 B10R1.13 CC(=O)N1CCC(CC1)C 240690a_100000188429_100015343762 [0,2,0,0,0,0|1,0,0]=3 3395 B10R1.13 CC(=O)N1CCC(CC1)C 527a_100000188429_100103153847 [0,2,0,0,0,0|1,0,0]=3 3396 B10R1.13 CC(=O)N1CCC(CC1)F 11a_100015193889_100015343762 [0,2,0,0,0,0|2,0,0]=4 3397 B10R1.13 CC(=O)N1CCC(CC1)F 1626a_100015193889_100015343762 [0,2,0,0,0,0|2,0,0]=4 3398 B10R1.13 CC(=O)N1CCC(CC1)F 240690a_100015193889_100015343762 [0,2,0,0,0,0|2,0,0]=4 3399 B10R1.13 CC(=O)N1CCC(CC1)F 527a_100015193889_100103153847 [0,2,0,0,0,0|2,0,0]=4 3400 B10R1.13 CC(=O)N1CCC(CC1)O 240690a_100025773856_100015343762 [0,2,0,0,0,0|2,0,0]=4 3401 B10R1.13 CC(=O)N1CCC(CC1)O 527a_100025773856_100103153847 [0,2,0,0,0,0|2,0,0]=4 3402 B10R1.13 CC(=O)N1CCN(CC1)C 11a_100000188432_100015343762 [0,2,0,0,0,0|2,0,0]=4 3403 B10R1.13 CC(=O)N1CCN(CC1)C 2230a_100000210354_200000210301 [0,2,0,0,0,0|2,0,0]=4 3404 B10R1.13 CC(=O)N1CCN(CC1)C 240690a_100000188432_100015343762 [0,2,0,0,0,0|2,0,0]=4 3405 B10R1.13 CC(=O)N1CCN(CC1)C 269982a_100000210354_200000210301 [0,2,0,0,0,0|2,0,0]=4 3406 B10R1.13 CC(=O)N1CCN(CC1)C 527a_100000188432_100103153847 [0,2,0,0,0,0|2,0,0]=4 3407 B10R1.13 CC(=O)N1CCN(CC1)[13CH3] 2230a_100000210354_200025704644 [0,2,0,0,0,0|2,0,0]=4 3408 B10R1.13 CC(=O)N1CCN(CC1)[13CH3] 269982a_100000210354_200025704644 [0,2,0,0,0,0|2,0,0]=4 3409 B10R1.13 CC(=O)N1CCS(=O)CC1 240690a_100000752083_100015343762 [0,2,0,0,0,0|2,0,0]=4 3410 B10R1.13 CC(=O)N1CCS(=O)CC1 527a_100000752083_100103153847 [0,2,0,0,0,0|2,0,0]=4 3411 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,2,0,0,0,0|0,0,1]=3 3412 B10R1.13 CC(C)C1CCN(CC1)C 2230a_100000762885_200000210301 [0,2,0,0,0,0|2,0,0]=4 3413 B10R1.13 CC(C)C1CCN(CC1)C 269982a_100000762885_200000210301 [0,2,0,0,0,0|2,0,0]=4 3414 B10R1.13 CC(C)C1CCN(CC1)C 34a_100000762885_200000210301 [0,2,0,0,0,0|2,0,0]=4 3415 B10R1.13 CC(C)C1CCN(CC1)[13CH3] 2230a_100000762885_200025704644 [0,2,0,0,0,0|2,0,0]=4 3416 B10R1.13 CC(C)C1CCN(CC1)[13CH3] 269982a_100000762885_200025704644 [0,2,0,0,0,0|2,0,0]=4 3417 B10R1.13 CC(C)C1CCN(CC1)[13CH3] 34a_100000762885_200025704644 [0,2,0,0,0,0|2,0,0]=4 3418 B10R1.13 CC(C)N1CCS(=O)CC1 2230a_100000752083_100000210206 [0,2,0,0,0,0|2,0,0]=4 3419 B10R1.13 CC(C)N1CCS(=O)CC1 269982a_100000752083_100000210206 [0,2,0,0,0,0|2,0,0]=4 3420 B10R1.13 CC(O)C1CCN(CC1)C 2230a_100011728446_200000210301 [0,2,0,0,0,0|2,0,0]=4 3421 B10R1.13 CC(O)C1CCN(CC1)C 269982a_100011728446_200000210301 [0,2,0,0,0,0|2,0,0]=4 3422 B10R1.13 CC(O)C1CCN(CC1)C 34a_100011728446_200000210301 [0,2,0,0,0,0|2,0,0]=4 3423 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 2230a_100011728446_200025704644 [0,2,0,0,0,0|2,0,0]=4 3424 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 269982a_100011728446_200025704644 [0,2,0,0,0,0|2,0,0]=4 3425 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 34a_100011728446_200025704644 [0,2,0,0,0,0|2,0,0]=4 3426 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [0,2,0,0,0,0|1,0,1]=4 3427 B10R1.13 CC1CCC(CC1)N(C)C 269982a_100102631434_200011216234 [0,2,0,0,0,0|1,0,1]=4 3428 B10R1.13 CC1CCC(CC1)N(C)C 270004a_100102631434_100000185489 [0,2,0,0,0,0|1,0,1]=4 3429 B10R1.13 CC1CCN(CC1)C(C)C 2230a_100000188429_100000210206 [0,2,0,0,0,0|2,0,0]=4 3430 B10R1.13 CC1CCN(CC1)C(C)C 269982a_100000188429_100000210206 [0,2,0,0,0,0|2,0,0]=4 3431 B10R1.13 CC1CCN(CC1)C(C)C 34a_100000188429_100000210206 [0,2,0,0,0,0|2,0,0]=4 3432 B10R1.13 CN(C)C1CCC(CC1)O 270004a_100102631434_100000764474 [0,2,0,0,0,0|0,0,2]=4 3433 B10R1.13 CN(C)C1CCN(CC1)[13CH3] 2230a_100011226131_200025704644 [0,2,0,0,0,0|2,0,0]=4 3434 B10R1.13 CN(C)C1CCN(CC1)[13CH3] 269982a_100011226131_200025704644 [0,2,0,0,0,0|2,0,0]=4 3435 B10R1.13 CN(C)[C@H]1CC[C@H](CC1)O 2230a_100020636401_200000210301 [0,2,0,0,0,0|0,0,2]=4 3436 B10R1.13 CN(C)[C@H]1CC[C@H](CC1)O 269982a_100020636401_200000210301 [0,2,0,0,0,0|0,0,2]=4 3437 B10R1.13 CN([13CH3])[C@H]1CC[C@H](CC1)O 2230a_100020636401_200025704644 [0,2,0,0,0,0|0,0,2]=4 3438 B10R1.13 CN([13CH3])[C@H]1CC[C@H](CC1)O 269982a_100020636401_200025704644 [0,2,0,0,0,0|0,0,2]=4 3439 B10R1.13 CN1CCC(CC1)C(=O)N 2230a_100000210938_200000210301 [0,2,0,0,0,0|1,0,1]=4 3440 B10R1.13 CN1CCC(CC1)C(=O)N 269982a_100000210938_200000210301 [0,2,0,0,0,0|1,0,1]=4 3441 B10R1.13 CN1CCC(CC1)C(=O)N 34a_100000210938_200000210301 [0,2,0,0,0,0|1,0,1]=4 3442 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,2,0,0,0,0|1,0,1]=4 3443 B10R1.13 CN1CCC(CC1)C(=O)[13CH3] 1458a_100000743488_200025704644 [0,2,0,0,0,0|1,0,1]=4 3444 B10R1.13 CN1CCC(CC1)C(F)F 2230a_100000689141_200000210301 [0,2,0,0,0,0|2,0,0]=4 3445 B10R1.13 CN1CCC(CC1)C(F)F 269982a_100000689141_200000210301 [0,2,0,0,0,0|2,0,0]=4 3446 B10R1.13 CN1CCC(CC1)C(F)F 34a_100000689141_200000210301 [0,2,0,0,0,0|2,0,0]=4 3447 B10R1.13 CN1CCC(CC1)N(C)C 2230a_100011226131_200000210301 [0,2,0,0,0,0|2,0,0]=4 3448 B10R1.13 CN1CCC(CC1)N(C)C 2230a_100025768347_200000210301 [0,2,0,0,0,0|2,0,0]=4 3449 B10R1.13 CN1CCC(CC1)N(C)C 269982a_100011226131_200000210301 [0,2,0,0,0,0|2,0,0]=4 3450 B10R1.13 CN1CCC(CC1)N(C)C 269982a_100025768347_200000210301 [0,2,0,0,0,0|2,0,0]=4 3451 B10R1.13 CN1CCC(CC1)N(C)C 269982a_100102631434_100011215917 [0,2,0,0,0,0|2,0,0]=4 3452 B10R1.13 CN1CCC(CC1)N(C)C 270004a_100102631434_100000210137 [0,2,0,0,0,0|2,0,0]=4 3453 B10R1.13 CN1CCC(CC1)N(C)[13CH3] 2230a_100025768347_200025704644 [0,2,0,0,0,0|2,0,0]=4 3454 B10R1.13 CN1CCC(CC1)N(C)[13CH3] 269982a_100025768347_200025704644 [0,2,0,0,0,0|2,0,0]=4 3455 B10R1.13 CN1CCC(CC1)[N+](=O)[O-] 2230a_100138415460_200000210301 [0,2,0,0,0,0|1,0,1]=4 3456 B10R1.13 CN1CCC(CC1)[N+](=O)[O-] 269982a_100138415460_200000210301 [0,2,0,0,0,0|1,0,1]=4 3457 B10R1.13 CN1CCN(CC1)C(=O)N 269982a_100000737871_200000210301 [0,2,0,0,0,0|2,0,0]=4 3458 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,2,0,0,0,0|0,0,1]=3 3459 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [0,2,0,0,0,0|1,0,0]=3 3460 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,2,0,0,0,0|0,0,2]=4 3461 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 2230a_100000210938_200025704644 [0,2,0,0,0,0|1,0,1]=4 3462 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 269982a_100000210938_200025704644 [0,2,0,0,0,0|1,0,1]=4 3463 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 34a_100000210938_200025704644 [0,2,0,0,0,0|1,0,1]=4 3464 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,2,0,0,0,0|1,0,1]=4 3465 B10R1.13 [13CH3]N1CCC(CC1)C(F)F 2230a_100000689141_200025704644 [0,2,0,0,0,0|2,0,0]=4 3466 B10R1.13 [13CH3]N1CCC(CC1)C(F)F 269982a_100000689141_200025704644 [0,2,0,0,0,0|2,0,0]=4 3467 B10R1.13 [13CH3]N1CCC(CC1)C(F)F 34a_100000689141_200025704644 [0,2,0,0,0,0|2,0,0]=4 3468 B10R1.13 [13CH3]N1CCC(CC1)[N+](=O)[O-] 2230a_100138415460_200025704644 [0,2,0,0,0,0|1,0,1]=4 3469 B10R1.13 [13CH3]N1CCC(CC1)[N+](=O)[O-] 269982a_100138415460_200025704644 [0,2,0,0,0,0|1,0,1]=4 3470 B10R1.13 [13CH3]N1CCN(CC1)C(=O)N 269982a_100000737871_200025704644 [0,2,0,0,0,0|2,0,0]=4 3471 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 34a_100011539931_200025704644 [0,2,0,0,0,0|0,0,2]=4 3472 B10R1.25 CC1CCC(C(C1)C)O[13CH3] 7a_100011539931_200025704644 [0,2,0,0,0,0|0,0,2]=4 3473 B10R1.25 CNC1CCC(=O)NC1=O 2230a_100000691121_200000210301 [0,2,0,0,0,0|1,0,1]=4 3474 B10R1.25 CNC1CCC(=O)NC1=O 2230a_106832991635_100000694648 [0,2,0,0,0,0|1,0,1]=4 3475 B10R1.25 CNC1CCC(=O)NC1=O 34a_100000691121_200000210301 [0,2,0,0,0,0|1,0,1]=4 3476 B10R1.25 CNC1CCC(=O)NC1=O 7a_106832991635_100000694648 [0,2,0,0,0,0|1,0,1]=4 3477 B10R1.25 COC1CCC(CC1C)C 34a_100011539931_200000210301 [0,2,0,0,0,0|0,0,2]=4 3478 B10R1.25 COC1CCC(CC1C)C 7a_100011539931_200000210301 [0,2,0,0,0,0|0,0,2]=4 3479 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)C 2230a_200015396376_200000210301 [0,2,0,0,0,0|2,0,0]=4 3480 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)C 269982a_200015396376_200000210301 [0,2,0,0,0,0|2,0,0]=4 3481 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)[13CH3] 2230a_200015396376_200025704644 [0,2,0,0,0,0|2,0,0]=4 3482 B10R1.25 CO[C@@H]1CCN(C[C@H]1O)[13CH3] 269982a_200015396376_200025704644 [0,2,0,0,0,0|2,0,0]=4 3483 B10R1.25 CSC1CCC(=O)NC1=O 62a_100000694648_200000210301 [0,2,0,0,0,0|1,0,1]=4 3484 B10R1.25 CSC1CCC(=O)NC1=O 62a_200000210301_100000694648 [0,2,0,0,0,0|1,0,1]=4 3485 B10R1.25 [13CH3]NC1CCC(=O)NC1=O 2230a_100000691121_200025704644 [0,2,0,0,0,0|1,0,1]=4 3486 B10R1.25 [13CH3]NC1CCC(=O)NC1=O 34a_100000691121_200025704644 [0,2,0,0,0,0|1,0,1]=4 3487 B10R1.25 [13CH3]SC1CCC(=O)NC1=O 62a_100000694648_200025704644 [0,2,0,0,0,0|1,0,1]=4 3488 B10R1.25 [13CH3]SC1CCC(=O)NC1=O 62a_200025704644_100000694648 [0,2,0,0,0,0|1,0,1]=4 3489 B10R1.26 CC1(CCC(CC1)N[13CH3])C 2230a_100000757809_200025704644 [0,2,0,0,0,0|1,0,1]=4 3490 B10R1.26 CC1(CCC(CC1)N[13CH3])C 34a_100000757809_200025704644 [0,2,0,0,0,0|1,0,1]=4 3491 B10R1.26 CC1(CCC(CC1)O[13CH3])C 34a_100000703974_200025704644 [0,2,0,0,0,0|0,0,2]=4 3492 B10R1.26 CC1(CCC(CC1)O[13CH3])C 7a_100000703974_200025704644 [0,2,0,0,0,0|0,0,2]=4 3493 B10R1.26 CC1(CCN(CC1)CF)C 269982a_100000750138_100015361967 [0,2,0,0,0,0|2,0,0]=4 3494 B10R1.26 CC1(CCN(CC1)CF)O 269982a_100000690209_100015361967 [0,2,0,0,0,0|2,0,0]=4 3495 B10R1.26 CCN1CCC(CC1)(C)C 2230a_100000750138_100000210202 [0,2,0,0,0,0|2,0,0]=4 3496 B10R1.26 CCN1CCC(CC1)(C)C 269982a_100000750138_100000204670 [0,2,0,0,0,0|2,0,0]=4 3497 B10R1.26 CCN1CCC(CC1)(C)O 2230a_100000690209_100000210202 [0,2,0,0,0,0|2,0,0]=4 3498 B10R1.26 CCN1CCC(CC1)(C)O 269982a_100000690209_100000204670 [0,2,0,0,0,0|2,0,0]=4 3499 B10R1.26 CCN1CCS(=O)(=O)CC1 2230a_100000750940_100000210202 [0,2,0,0,0,0|2,0,0]=4 3500 B10R1.26 CCN1CCS(=O)(=O)CC1 269982a_100000750940_100000204670 [0,2,0,0,0,0|2,0,0]=4 3501 B10R1.26 CCN1CCS(=O)(=O)CC1 34a_100000750940_100000210202 [0,2,0,0,0,0|2,0,0]=4 3502 B10R1.26 CNC1CCC(CC1)(C)C 2230a_100000757809_200000210301 [0,2,0,0,0,0|1,0,1]=4 3503 B10R1.26 CNC1CCC(CC1)(C)C 270004a_106832991635_100000061838 [0,2,0,0,0,0|1,0,1]=4 3504 B10R1.26 CNC1CCC(CC1)(C)C 34a_100000757809_200000210301 [0,2,0,0,0,0|1,0,1]=4 3505 B10R1.26 CNC1CCC(CC1)(C)O 270004a_106832991635_100012184276 [0,2,0,0,0,0|0,0,2]=4 3506 B10R1.26 CNC1CCC(CC1)(F)F 2230a_100000694335_200000210301 [0,2,0,0,0,0|1,0,1]=4 3507 B10R1.26 CNC1CCC(CC1)(F)F 270004a_106832991635_100000052966 [0,2,0,0,0,0|1,0,1]=4 3508 B10R1.26 CNC1CCC(CC1)(F)F 34a_100000694335_200000210301 [0,2,0,0,0,0|1,0,1]=4 3509 B10R1.26 CNC1CCC(CC1)(F)F 34a_100102657272_100009865109 [0,2,0,0,0,0|1,0,1]=4 3510 B10R1.26 CNC1CCC(CC1)(F)F 7a_106832991635_100009865109 [0,2,0,0,0,0|1,0,1]=4 3511 B10R1.26 CNC1CCS(=O)(=O)CC1 2230a_100000739226_200000210301 [0,2,0,0,0,0|1,0,0]=3 3512 B10R1.26 CNC1CCS(=O)(=O)CC1 270004a_106832991635_100000015219 [0,2,0,0,0,0|1,0,0]=3 3513 B10R1.26 CNC1CCS(=O)(=O)CC1 34a_100000739226_200000210301 [0,2,0,0,0,0|1,0,0]=3 3514 B10R1.26 CNC1CC[N+](CC1)(C)C 270004a_106832991635_100016991686 [0,2,0,0,0,0|2,0,0]=4 3515 B10R1.26 CN[C@H]1CC[C@](CC1)(C)O 2230a_202125554758_200000210301 [0,2,0,0,0,0|0,0,2]=4 3516 B10R1.26 CN[C@H]1CC[C@](CC1)(C)O 34a_202125554758_200000210301 [0,2,0,0,0,0|0,0,2]=4 3517 B10R1.26 COC1CCC(CC1)(C)C 34a_100000703974_200000210301 [0,2,0,0,0,0|0,0,2]=4 3518 B10R1.26 COC1CCC(CC1)(C)C 7a_100000703974_200000210301 [0,2,0,0,0,0|0,0,2]=4 3519 B10R1.26 COC1CCC(CC1)(F)F 34a_100000098475_200000210301 [0,2,0,0,0,0|1,0,1]=4 3520 B10R1.26 COC1CCC(CC1)(F)F 34a_100138415774_100009865109 [0,2,0,0,0,0|1,0,1]=4 3521 B10R1.26 COC1CCC(CC1)(F)F 7a_100000098475_200000210301 [0,2,0,0,0,0|1,0,1]=4 3522 B10R1.26 COC1CCS(=O)(=O)CC1 34a_100011349575_200000210301 [0,2,0,0,0,0|1,0,0]=3 3523 B10R1.26 COC1CCS(=O)(=O)CC1 7a_100011349575_200000210301 [0,2,0,0,0,0|1,0,0]=3 3524 B10R1.26 CSC1CCC(CC1)(F)F 62a_100009865109_200000210301 [0,2,0,0,0,0|1,0,1]=4 3525 B10R1.26 CSC1CCC(CC1)(F)F 62a_200000210301_100009865109 [0,2,0,0,0,0|1,0,1]=4 3526 B10R1.26 C[C@@]1(CC[C@@H](CC1)N[13CH3])O 2230a_202125554758_200025704644 [0,2,0,0,0,0|0,0,2]=4 3527 B10R1.26 C[C@@]1(CC[C@@H](CC1)N[13CH3])O 34a_202125554758_200025704644 [0,2,0,0,0,0|0,0,2]=4 3528 B10R1.26 O=S1(=O)CCN(CC1)CF 269982a_100000750940_100015361967 [0,2,0,0,0,0|2,0,0]=4 3529 B10R1.26 O=S1(=O)CCN(CC1)CF 34a_100000750940_100015361967 [0,2,0,0,0,0|2,0,0]=4 3530 B10R1.26 [13CH3]NC1CCC(CC1)(F)F 2230a_100000694335_200025704644 [0,2,0,0,0,0|1,0,1]=4 3531 B10R1.26 [13CH3]NC1CCC(CC1)(F)F 34a_100000694335_200025704644 [0,2,0,0,0,0|1,0,1]=4 3532 B10R1.26 [13CH3]NC1CCS(=O)(=O)CC1 2230a_100000739226_200025704644 [0,2,0,0,0,0|1,0,0]=3 3533 B10R1.26 [13CH3]NC1CCS(=O)(=O)CC1 34a_100000739226_200025704644 [0,2,0,0,0,0|1,0,0]=3 3534 B10R1.26 [13CH3]OC1CCC(CC1)(F)F 34a_100000098475_200025704644 [0,2,0,0,0,0|1,0,1]=4 3535 B10R1.26 [13CH3]OC1CCC(CC1)(F)F 7a_100000098475_200025704644 [0,2,0,0,0,0|1,0,1]=4 3536 B10R1.26 [13CH3]OC1CCS(=O)(=O)CC1 34a_100011349575_200025704644 [0,2,0,0,0,0|1,0,0]=3 3537 B10R1.26 [13CH3]OC1CCS(=O)(=O)CC1 7a_100011349575_200025704644 [0,2,0,0,0,0|1,0,0]=3 3538 B10R1.26 [13CH3]SC1CCC(CC1)(F)F 62a_100009865109_200025704644 [0,2,0,0,0,0|1,0,1]=4 3539 B10R1.26 [13CH3]SC1CCC(CC1)(F)F 62a_200025704644_100009865109 [0,2,0,0,0,0|1,0,1]=4 3540 B10R1.176 CC1CCC(CC1C)O[13CH3] 34a_100011215933_200025704644 [0,2,0,0,0,0|0,0,2]=4 3541 B10R1.176 CC1CCC(CC1C)O[13CH3] 7a_100011215933_200025704644 [0,2,0,0,0,0|0,0,2]=4 3542 B10R1.176 CC1CCN(CC1O)CF 269982a_100000696640_100015361967 [0,2,0,0,0,0|2,0,0]=4 3543 B10R1.176 CCN1CCC(C(C1)O)C 2230a_100000696640_100000210202 [0,2,0,0,0,0|2,0,0]=4 3544 B10R1.176 CCN1CCC(C(C1)O)C 269982a_100000696640_100000204670 [0,2,0,0,0,0|2,0,0]=4 3545 B10R1.176 CN1CC(CCC1=O)N[13CH3] 2230a_100011935005_200025704644 [0,2,0,0,0,0|1,0,0]=3 3546 B10R1.176 CN1CC(CCC1=O)N[13CH3] 34a_100011935005_200025704644 [0,2,0,0,0,0|1,0,0]=3 3547 B10R1.176 CNC1CCC(=O)N(C1)C 2230a_100011935005_200000210301 [0,2,0,0,0,0|1,0,0]=3 3548 B10R1.176 CNC1CCC(=O)N(C1)C 34a_100011935005_200000210301 [0,2,0,0,0,0|1,0,0]=3 3549 B10R1.176 CNC1CCC(C(C1)C)C 270004a_106832991635_100000759390 [0,2,0,0,0,0|1,0,1]=4 3550 B10R1.176 COC1CCC(C(C1)C)C 34a_100011215933_200000210301 [0,2,0,0,0,0|0,0,2]=4 3551 B10R1.176 COC1CCC(C(C1)C)C 7a_100011215933_200000210301 [0,2,0,0,0,0|0,0,2]=4 3552 B10R1.473 CC1(CCC(=O)CC1)O[13CH3] 34a_100012184276_200025704644 [0,2,0,0,0,0|0,0,0]=2 3553 B10R1.473 CC1(CCC(=O)CC1)O[13CH3] 7a_100012184276_200025704644 [0,2,0,0,0,0|0,0,0]=2 3554 B10R1.473 CC1(CCN(CC1)[13CH3])C#N 2230a_100000698478_200025704644 [0,2,0,0,0,0|2,0,0]=4 3555 B10R1.473 CC1(CCN(CC1)[13CH3])C#N 34a_100000698478_200025704644 [0,2,0,0,0,0|2,0,0]=4 3556 B10R1.473 CC1(CCN(CC1)[13CH3])CO 2230a_100000697876_200025704644 [0,2,0,0,0,0|2,0,0]=4 3557 B10R1.473 CC1(CCN(CC1)[13CH3])CO 269982a_100000697876_200025704644 [0,2,0,0,0,0|2,0,0]=4 3558 B10R1.473 CCC1(CCN(CC1)C)O 2230a_100000763344_200000210301 [0,2,0,0,0,0|2,0,0]=4 3559 B10R1.473 CCC1(CCN(CC1)C)O 269982a_100000763344_200000210301 [0,2,0,0,0,0|2,0,0]=4 3560 B10R1.473 CCC1(CCN(CC1)[13CH3])O 2230a_100000763344_200025704644 [0,2,0,0,0,0|2,0,0]=4 3561 B10R1.473 CCC1(CCN(CC1)[13CH3])O 269982a_100000763344_200025704644 [0,2,0,0,0,0|2,0,0]=4 3562 B10R1.473 CN1CCC(CC1)(C)C#N 2230a_100000698478_200000210301 [0,2,0,0,0,0|2,0,0]=4 3563 B10R1.473 CN1CCC(CC1)(C)C#N 34a_100000698478_200000210301 [0,2,0,0,0,0|2,0,0]=4 3564 B10R1.473 CN1CCC(CC1)(C)CO 2230a_100000697876_200000210301 [0,2,0,0,0,0|2,0,0]=4 3565 B10R1.473 CN1CCC(CC1)(C)CO 269982a_100000697876_200000210301 [0,2,0,0,0,0|2,0,0]=4 3566 B10R1.473 CN1CCC(CC1)(F)CO 2230a_100016990393_200000210301 [0,2,0,0,0,0|2,0,0]=4 3567 B10R1.473 CN1CCC(CC1)(F)CO 269982a_100016990393_200000210301 [0,2,0,0,0,0|2,0,0]=4 3568 B10R1.473 CN1CCC(CC1)(F)CO 34a_100016990393_200000210301 [0,2,0,0,0,0|2,0,0]=4 3569 B10R1.473 CN1CCC(CC1)(O)CO 2230a_100012017390_200000210301 [0,2,0,0,0,0|2,0,0]=4 3570 B10R1.473 CN1CCC(CC1)(O)CO 269982a_100012017390_200000210301 [0,2,0,0,0,0|2,0,0]=4 3571 B10R1.473 COC1(CCC(=O)CC1)C 34a_100012184276_200000210301 [0,2,0,0,0,0|0,0,0]=2 3572 B10R1.473 COC1(CCC(=O)CC1)C 7a_100012184276_200000210301 [0,2,0,0,0,0|0,0,0]=2 3573 B10R1.473 COC1(CCN(CC1)C)C 2230a_100000733821_200000210301 [0,2,0,0,0,0|2,0,0]=4 3574 B10R1.473 COC1(CCN(CC1)C)C 269982a_100000733821_200000210301 [0,2,0,0,0,0|2,0,0]=4 3575 B10R1.473 COC1(CCN(CC1)[13CH3])C 2230a_100000733821_200025704644 [0,2,0,0,0,0|2,0,0]=4 3576 B10R1.473 COC1(CCN(CC1)[13CH3])C 269982a_100000733821_200025704644 [0,2,0,0,0,0|2,0,0]=4 3577 B10R1.473 CO[C@@]1(CC[C@H](CC1)N)C 34a_202125554758_200000210301 [0,2,0,0,0,0|1,0,1]=4 3578 B10R1.473 C[C@@]1(CC[C@@H](CC1)N)O[13CH3] 34a_202125554758_200025704644 [0,2,0,0,0,0|1,0,1]=4 3579 B10R1.473 [13CH3]N1CCC(CC1)(F)CO 2230a_100016990393_200025704644 [0,2,0,0,0,0|2,0,0]=4 3580 B10R1.473 [13CH3]N1CCC(CC1)(F)CO 269982a_100016990393_200025704644 [0,2,0,0,0,0|2,0,0]=4 3581 B10R1.473 [13CH3]N1CCC(CC1)(F)CO 34a_100016990393_200025704644 [0,2,0,0,0,0|2,0,0]=4 3582 B10R1.473 [13CH3]N1CCC(CC1)(O)CO 2230a_100012017390_200025704644 [0,2,0,0,0,0|2,0,0]=4 3583 B10R1.473 [13CH3]N1CCC(CC1)(O)CO 269982a_100012017390_200025704644 [0,2,0,0,0,0|2,0,0]=4 3584 B10R1.30 CC1CCC(C(C1)O[13CH3])C 34a_100011217446_200025704644 [0,2,0,0,0,0|1,0,1]=4 3585 B10R1.30 CC1CCC(C(C1)O[13CH3])C 7a_100011217446_200025704644 [0,2,0,0,0,0|1,0,1]=4 3586 B10R1.30 CNC1CC(CCC1C)C 269862a_106832991636_100000034887 [0,2,0,0,0,0|1,0,1]=4 3587 B10R1.30 CNC1CC(CCC1C)C 270004a_106832991635_100000034887 [0,2,0,0,0,0|1,0,1]=4 3588 B10R1.30 COC1CC(CCC1C)C 34a_100011217446_200000210301 [0,2,0,0,0,0|1,0,1]=4 3589 B10R1.30 COC1CC(CCC1C)C 7a_100011217446_200000210301 [0,2,0,0,0,0|1,0,1]=4 3590 B10R1.118 C[C@H]1CN(C(=O)CN1C)C 2230a_100016994881_200000210301 [0,2,0,0,0,0|2,0,0]=4 3591 B10R1.118 C[C@H]1CN(C(=O)CN1C)C 269982a_100016994881_200000210301 [0,2,0,0,0,0|2,0,0]=4 3592 B10R1.118 C[C@H]1CN(C(=O)CN1C)C 34a_100016994881_200000210301 [0,2,0,0,0,0|2,0,0]=4 3593 B10R1.118 C[C@H]1CN(C(=O)CN1[13CH3])C 2230a_100016994881_200025704644 [0,2,0,0,0,0|2,0,0]=4 3594 B10R1.118 C[C@H]1CN(C(=O)CN1[13CH3])C 269982a_100016994881_200025704644 [0,2,0,0,0,0|2,0,0]=4 3595 B10R1.118 C[C@H]1CN(C(=O)CN1[13CH3])C 34a_100016994881_200025704644 [0,2,0,0,0,0|2,0,0]=4 3596 B8R1.9 O=CCN[C@@H]1C[C@@H]1F 2230a_100015190264_200015260668 [0,0,1,1,0,0|2,0,0]=4 3597 B8R1.9 O=CCN[C@@H]1C[C@H]1F 2230a_100025746932_200015260668 [0,0,1,1,0,0|2,0,0]=4 3598 B8R1.9 O=CCN[C@@H]1C[C@H]1F 34a_100025746932_200009817547 [0,0,1,1,0,0|2,0,0]=4 3599 B8R1.10 C=CCCN1CCC1 269982a_100000754969_100000754431 [0,0,1,1,0,0|2,0,0]=4 3600 B8R1.10 C=CCNC1CCC1 2230a_100000749019_100000210623 [0,0,1,1,0,0|2,0,0]=4 3601 B8R1.10 C=CCNC1CCC1 270004a_100020586998_100000241760 [0,0,1,1,0,0|2,0,0]=4 3602 B8R1.10 C=CCNC1CCC1 34a_100000749019_100015514636 [0,0,1,1,0,0|2,0,0]=4 3603 B8R1.10 C=CCOC1CCC1 34a_100000748187_100015514636 [0,0,1,1,0,0|2,0,0]=4 3604 B8R1.10 C=CCOC1CCC1 34a_200000210373_100000749161 [0,0,1,1,0,0|2,0,0]=4 3605 B8R1.10 C=CCSC1CCC1 62a_100000210623_100000749161 [0,0,1,1,0,0|2,0,0]=4 3606 B8R1.10 CCCCN1CCC1 269982a_100000754969_100000210211 [0,0,1,1,0,0|2,0,0]=4 3607 B8R1.10 O=CCNC1CCC1 2230a_100000749019_200015260668 [0,0,1,1,0,0|1,0,0]=3 3608 B8R1.10 O=CCNC1CCC1 34a_100000749019_200009817547 [0,0,1,1,0,0|1,0,0]=3 3609 B8R1.10 O=CCNC1COC1 2230a_100016991112_200015260668 [0,0,1,1,0,0|2,0,0]=4 3610 B8R1.10 O=CCOC1CCC1 34a_100000748187_200009817547 [0,0,1,1,0,0|1,0,0]=3 3611 B8R1.10 O=CCOC1CSC1 7a_100000072292_200015260668 [0,0,1,1,0,0|2,0,0]=4 3612 B8R1.10 O=CCSC1CCC1 62a_200015260668_100000749161 [0,0,1,1,0,0|1,0,0]=3 3613 B8R1.10 O=CCSC1COC1 62a_200015260668_100009818527 [0,0,1,1,0,0|2,0,0]=4 3614 B8R1.13 C=CCN1CCC1C 269982a_100000755817_100000210623 [0,0,1,1,0,0|2,0,0]=4 3615 B8R1.13 C=CCN1CCC1C 34a_100000755817_100015514636 [0,0,1,1,0,0|2,0,0]=4 3616 B8R1.13 CC1CCN1CC=O 269982a_100000755817_200015260668 [0,0,1,1,0,0|1,0,0]=3 3617 B8R1.13 CC1CCN1CC=O 34a_100000755817_200009817547 [0,0,1,1,0,0|1,0,0]=3 3618 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,0,1,1,0,0|1,0,0]=3 3619 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,0,1,1,0,0|1,0,0]=3 3620 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,0,1,1,0,0|1,0,0]=3 3621 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [0,0,1,1,0,0|2,0,0]=4 3622 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [0,0,1,1,0,0|2,0,0]=4 3623 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [0,0,1,1,0,0|2,0,0]=4 3624 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [0,0,1,1,0,0|2,0,0]=4 3625 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [0,0,1,1,0,0|2,0,0]=4 3626 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [0,0,1,1,0,0|2,0,0]=4 3627 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [0,0,1,1,0,0|2,0,0]=4 3628 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [0,0,1,1,0,0|2,0,0]=4 3629 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [0,0,1,1,0,0|0,0,2]=4 3630 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [0,0,1,1,0,0|0,0,2]=4 3631 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,0,1,1,0,0|0,0,0]=2 3632 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,0,1,1,0,0|0,0,0]=2 3633 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,0,1,1,0,0|1,0,0]=3 3634 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,0,1,1,0,0|1,0,0]=3 3635 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,0,1,1,0,0|1,0,0]=3 3636 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,0,1,1,0,0|1,0,0]=3 3637 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,0,1,1,0,0|1,0,0]=3 3638 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,0,1,1,0,0|1,0,0]=3 3639 B8R1.38 CCN(C)C1CCC1 2230a_100000758072_100000210202 [0,0,1,1,0,0|2,0,0]=4 3640 B8R1.38 CCN(C)C1CCC1 2230a_100000758130_200000210301 [0,0,1,1,0,0|2,0,0]=4 3641 B8R1.38 CCN(C)C1CCC1 269982a_100000225621_100000749161 [0,0,1,1,0,0|2,0,0]=4 3642 B8R1.38 CCN(C)C1CCC1 269982a_100000758072_100000204670 [0,0,1,1,0,0|2,0,0]=4 3643 B8R1.38 CCN(C)C1CCC1 269982a_100000758130_200000210301 [0,0,1,1,0,0|2,0,0]=4 3644 B8R1.38 CCN(C)C1CCC1 34a_100000758072_100000210202 [0,0,1,1,0,0|2,0,0]=4 3645 B8R1.38 CCN([13CH3])C1CCC1 2230a_100000758130_200025704644 [0,0,1,1,0,0|2,0,0]=4 3646 B8R1.38 CCN([13CH3])C1CCC1 269982a_100000758130_200025704644 [0,0,1,1,0,0|2,0,0]=4 3647 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,0,1,1,0,0|1,0,0]=3 3648 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,0,1,1,0,0|1,0,0]=3 3649 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,0,1,1,0,0|1,0,0]=3 3650 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,0,1,1,0,0|1,0,0]=3 3651 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,0,1,1,0,0|2,0,0]=4 3652 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,0,1,1,0,0|2,0,0]=4 3653 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,0,1,1,0,0|2,0,0]=4 3654 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,0,1,1,0,0|2,0,0]=4 3655 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [0,0,1,1,0,0|2,0,0]=4 3656 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [0,0,1,1,0,0|2,0,0]=4 3657 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [0,0,1,1,0,0|2,0,0]=4 3658 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [0,0,1,1,0,0|2,0,0]=4 3659 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [0,0,1,1,0,0|2,0,0]=4 3660 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [0,0,1,1,0,0|2,0,0]=4 3661 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,0,1,1,0,0|1,0,0]=3 3662 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [0,0,1,1,0,0|2,0,0]=4 3663 B8R1.38 O=C(CF)C1COC1 1458a_100000758290_100015361967 [0,0,1,1,0,0|2,0,0]=4 3664 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,0,1,1,0,0|1,0,0]=3 3665 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,0,1,1,0,0|2,0,0]=4 3666 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,0,1,1,0,0|2,0,0]=4 3667 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,0,1,1,0,0|2,0,0]=4 3668 B8R1.40 C#CC(=O)CC1CC1 1458a_100000211873_100000742324 [0,0,1,1,0,0|0,0,2]=4 3669 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [0,0,1,1,0,0|0,0,2]=4 3670 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [0,0,1,1,0,0|0,0,0]=2 3671 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [0,0,1,1,0,0|0,0,0]=2 3672 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [0,0,1,1,0,0|1,0,0]=3 3673 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [0,0,1,1,0,0|1,0,0]=3 3674 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [0,0,1,1,0,0|1,0,0]=3 3675 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [0,0,1,1,0,0|1,0,0]=3 3676 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [0,0,1,1,0,0|1,0,0]=3 3677 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [0,0,1,1,0,0|1,0,0]=3 3678 B8R1.40 CCN(C)CC1CC1 2230a_100000225621_100000742324 [0,0,1,1,0,0|2,0,0]=4 3679 B8R1.40 CCN(C)CC1CC1 2230a_100000741881_100000210202 [0,0,1,1,0,0|2,0,0]=4 3680 B8R1.40 CCN(C)CC1CC1 269982a_100000225621_100000756562 [0,0,1,1,0,0|2,0,0]=4 3681 B8R1.40 CCN(C)CC1CC1 269982a_100000741881_100000204670 [0,0,1,1,0,0|2,0,0]=4 3682 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [0,0,1,1,0,0|1,0,0]=3 3683 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [0,0,1,1,0,0|1,0,0]=3 3684 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [0,0,1,1,0,0|1,0,0]=3 3685 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [0,0,1,1,0,0|1,0,0]=3 3686 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [0,0,1,1,0,0|2,0,0]=4 3687 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [0,0,1,1,0,0|2,0,0]=4 3688 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [0,0,1,1,0,0|2,0,0]=4 3689 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [0,0,1,1,0,0|2,0,0]=4 3690 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [0,0,1,1,0,0|2,0,0]=4 3691 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [0,0,1,1,0,0|1,0,0]=3 3692 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [0,0,1,1,0,0|1,0,0]=3 3693 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [0,0,1,1,0,0|2,0,0]=4 3694 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [0,0,1,1,0,0|2,0,0]=4 3695 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [0,0,1,1,0,0|2,0,0]=4 3696 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [0,0,1,1,0,0|2,0,0]=4 3697 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [0,0,1,1,0,0|2,0,0]=4 3698 B8R1.41 C=CCNC1(CC1)C 2230a_100000757604_100000210623 [0,0,1,1,0,0|2,0,0]=4 3699 B8R1.41 C=CCOC1(CC1)C 7a_100011725673_100015514636 [0,0,1,1,0,0|2,0,0]=4 3700 B8R1.41 CC1(CC1)NCC=O 2230a_100000757604_200015260668 [0,0,1,1,0,0|1,0,0]=3 3701 B8R1.41 CC1(CC1)OCC=O 7a_100011725673_200015260668 [0,0,1,1,0,0|1,0,0]=3 3702 B8R1.47 CCC1CN(C1)CC 2230a_100015205115_100000210202 [0,0,1,1,0,0|2,0,0]=4 3703 B8R1.47 CCC1CN(C1)CC 269982a_100015205115_100000204670 [0,0,1,1,0,0|2,0,0]=4 3704 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [0,0,1,1,0,0|1,0,0]=3 3705 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [0,0,1,1,0,0|0,0,0]=2 3706 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [0,0,1,1,0,0|1,0,0]=3 3707 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [0,0,1,1,0,0|1,0,0]=3 3708 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [0,0,1,1,0,0|1,0,0]=3 3709 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [0,0,1,1,0,0|1,0,0]=3 3710 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 11a_106832991635_100015396687 [0,0,1,1,0,0|2,0,0]=4 3711 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 240690a_100102657272_100015396687 [0,0,1,1,0,0|2,0,0]=4 3712 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 527a_100102657272_100015396687 [0,0,1,1,0,0|2,0,0]=4 3713 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [0,0,1,1,0,0|2,0,0]=4 3714 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [0,0,1,1,0,0|2,0,0]=4 3715 B8R1.83 O=C(CF)[C@@H]1C[C@@H]1F 1458a_100015396687_100015361967 [0,0,1,1,0,0|2,0,0]=4 3716 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [0,0,1,1,0,0|2,0,0]=4 3717 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [0,0,1,1,0,0|2,0,0]=4 3718 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [0,0,1,1,0,0|2,0,0]=4 3719 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [0,0,1,1,0,0|2,0,0]=4 3720 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [0,0,1,1,0,0|2,0,0]=4 3721 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [0,0,1,1,0,0|2,0,0]=4 3722 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [0,0,1,1,0,0|0,0,2]=4 3723 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [0,0,1,1,0,0|0,0,2]=4 3724 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,0,1,1,0,0|0,0,0]=2 3725 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,0,1,1,0,0|1,0,0]=3 3726 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [0,0,1,1,0,0|1,0,0]=3 3727 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,0,1,1,0,0|1,0,0]=3 3728 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,0,1,1,0,0|1,0,0]=3 3729 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,0,1,1,0,0|1,0,0]=3 3730 B8R1.23 CC(=O)N1CC(C1)F 11a_100000690557_100015343762 [0,0,1,1,0,0|2,0,0]=4 3731 B8R1.23 CC(=O)N1CC(C1)F 240690a_100000690557_100015343762 [0,0,1,1,0,0|2,0,0]=4 3732 B8R1.23 CC(=O)N1CC(C1)F 527a_100000690557_100103153847 [0,0,1,1,0,0|2,0,0]=4 3733 B8R1.23 CC(=O)N1CC(C1)O 11a_100000749847_100015343762 [0,0,1,1,0,0|2,0,0]=4 3734 B8R1.23 CC(=O)N1CC(C1)O 240690a_100000749847_100015343762 [0,0,1,1,0,0|2,0,0]=4 3735 B8R1.23 CC(=O)N1CC(C1)O 527a_100000749847_100103153847 [0,0,1,1,0,0|2,0,0]=4 3736 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,0,1,1,0,0|1,0,0]=3 3737 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,0,1,1,0,0|0,0,0]=2 3738 B8R1.23 CN(C)C1CC(=O)C1 269982a_100102631434_100009894365 [0,0,1,1,0,0|1,0,0]=3 3739 B8R1.23 CN1CC(C1)C(=O)N 34a_100025753142_200000210301 [0,0,1,1,0,0|2,0,0]=4 3740 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [0,0,1,1,0,0|1,0,0]=3 3741 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,0,1,1,0,0|1,0,0]=3 3742 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [0,0,1,1,0,0|1,0,0]=3 3743 B8R1.23 [13CH3]N1CC(C1)C(=O)N 34a_100025753142_200025704644 [0,0,1,1,0,0|2,0,0]=4 3744 B8R1.35 C=C(C)CNC1CC1 34a_100000212008_100000748629 [0,0,1,1,0,0|2,0,0]=4 3745 B8R1.35 C=C(C)COC1CC1 34a_100000210245_100000211595 [0,0,1,1,0,0|2,0,0]=4 3746 B8R1.35 C=C(C)CSC1CC1 62a_100000748629_100000211595 [0,0,1,1,0,0|2,0,0]=4 3747 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [0,0,1,1,0,0|0,0,2]=4 3748 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,0,1,1,0,0|0,0,0]=2 3749 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,0,1,1,0,0|0,0,0]=2 3750 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [0,0,1,1,0,0|1,0,0]=3 3751 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,0,1,1,0,0|1,0,0]=3 3752 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [0,0,1,1,0,0|1,0,0]=3 3753 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [0,0,1,1,0,0|1,0,0]=3 3754 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [0,0,1,1,0,0|1,0,0]=3 3755 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [0,0,1,1,0,0|1,0,0]=3 3756 B8R1.35 CC(=O)NNC1CC1 22a_100000701032_100000070787 [0,0,1,1,0,0|2,0,0]=4 3757 B8R1.35 CN(C)CCC1CC1 2230a_100102631434_100000694398 [0,0,1,1,0,0|2,0,0]=4 3758 B8R1.35 CN(C)CCC1CC1 269982a_100102631434_100000694398 [0,0,1,1,0,0|2,0,0]=4 3759 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [0,0,1,1,0,0|2,0,0]=4 3760 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [0,0,1,1,0,0|2,0,0]=4 3761 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,0,1,1,0,0|2,0,0]=4 3762 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [0,0,1,1,0,0|2,0,0]=4 3763 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [0,0,1,1,0,0|2,0,0]=4 3764 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [0,0,1,1,0,0|0,0,2]=4 3765 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,0,1,1,0,0|0,0,0]=2 3766 B8R1.77 CC(=O)C1CC1(F)F 1458a_100000042250_200000210301 [0,0,1,1,0,0|2,0,0]=4 3767 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,0,1,1,0,0|0,0,0]=2 3768 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,0,1,1,0,0|0,0,0]=2 3769 B8R1.77 [13CH3]C(=O)C1CC1(F)F 1458a_100000042250_200025704644 [0,0,1,1,0,0|2,0,0]=4 3770 B8R2.18 CN1CC2CC2C1 2230a_100000741873_200000210301 [1,0,0,1,0,0|1,0,1]=4 3771 B8R2.18 CN1CC2CC2C1 269982a_100000741873_200000210301 [1,0,0,1,0,0|1,0,1]=4 3772 B8R2.18 CN1CC2CC2C1 34a_100000741873_200000210301 [1,0,0,1,0,0|1,0,1]=4 3773 B8R2.18 [13CH3]N1CC2CC2C1 2230a_100000741873_200025704644 [1,0,0,1,0,0|1,0,1]=4 3774 B8R2.18 [13CH3]N1CC2CC2C1 269982a_100000741873_200025704644 [1,0,0,1,0,0|1,0,1]=4 3775 B8R2.18 [13CH3]N1CC2CC2C1 34a_100000741873_200025704644 [1,0,0,1,0,0|1,0,1]=4 3776 B10R2.62 CN1CC2CCC1CC2 2230a_100000750499_200000210301 [0,1,0,1,0,0|1,0,1]=4 3777 B10R2.62 CN1CC2CCC1CC2 269982a_100000750499_200000210301 [0,1,0,1,0,0|1,0,1]=4 3778 B10R2.62 CN1CC2CCC1CC2 34a_100000750499_200000210301 [0,1,0,1,0,0|1,0,1]=4 3779 B10R2.62 [13CH3]N1CC2CCC1CC2 2230a_100000750499_200025704644 [0,1,0,1,0,0|1,0,1]=4 3780 B10R2.62 [13CH3]N1CC2CCC1CC2 269982a_100000750499_200025704644 [0,1,0,1,0,0|1,0,1]=4 3781 B10R2.62 [13CH3]N1CC2CCC1CC2 34a_100000750499_200025704644 [0,1,0,1,0,0|1,0,1]=4 3782 B10R2.133 CN1CC2C(C2C1)CO 2230a_100000045132_200000210301 [0,1,0,1,0,0|2,0,0]=4 3783 B10R2.133 CN1CC2C(C2C1)CO 269982a_100000045132_200000210301 [0,1,0,1,0,0|2,0,0]=4 3784 B10R2.133 CN1CC2C(C2C1)CO 34a_100000045132_200000210301 [0,1,0,1,0,0|2,0,0]=4 3785 B10R2.133 [13CH3]N1CC2C(C2C1)CO 2230a_100000045132_200025704644 [0,1,0,1,0,0|2,0,0]=4 3786 B10R2.133 [13CH3]N1CC2C(C2C1)CO 269982a_100000045132_200025704644 [0,1,0,1,0,0|2,0,0]=4 3787 B10R2.133 [13CH3]N1CC2C(C2C1)CO 34a_100000045132_200025704644 [0,1,0,1,0,0|2,0,0]=4 3788 B10R2.335 CN1CCC2(CC1)CC2 2230a_100000755616_200000210301 [0,1,0,1,0,0|2,0,0]=4 3789 B10R2.335 CN1CCC2(CC1)CC2 269982a_100000755616_200000210301 [0,1,0,1,0,0|2,0,0]=4 3790 B10R2.335 CN1CCC2(CC1)CC2 34a_100000755616_200000210301 [0,1,0,1,0,0|2,0,0]=4 3791 B10R2.335 [13CH3]N1CCC2(CC1)CC2 2230a_100000755616_200025704644 [0,1,0,1,0,0|2,0,0]=4 3792 B10R2.335 [13CH3]N1CCC2(CC1)CC2 269982a_100000755616_200025704644 [0,1,0,1,0,0|2,0,0]=4 3793 B10R2.335 [13CH3]N1CCC2(CC1)CC2 34a_100000755616_200025704644 [0,1,0,1,0,0|2,0,0]=4 3794 B10R2.314 CC1(C2C1CN(C2)[13CH3])C 2230a_100000760622_200025704644 [0,1,0,1,0,0|2,0,0]=4 3795 B10R2.314 CC1(C2C1CN(C2)[13CH3])C 269982a_100000760622_200025704644 [0,1,0,1,0,0|2,0,0]=4 3796 B10R2.314 CC1(C2C1CN(C2)[13CH3])C 34a_100000760622_200025704644 [0,1,0,1,0,0|2,0,0]=4 3797 B10R2.314 CN1CC2C(C1)C2(C)C 2230a_100000760622_200000210301 [0,1,0,1,0,0|2,0,0]=4 3798 B10R2.314 CN1CC2C(C1)C2(C)C 269982a_100000760622_200000210301 [0,1,0,1,0,0|2,0,0]=4 3799 B10R2.314 CN1CC2C(C1)C2(C)C 34a_100000760622_200000210301 [0,1,0,1,0,0|2,0,0]=4 3800 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,0,1,0,1,0|0,0,2]=4 3801 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,0,1,0,1,0|2,0,0]=4 3802 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,0,1,0,1,0|2,0,0]=4 3803 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,0,1,0,1,0|2,0,0]=4 3804 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,0,1,0,1,0|2,0,0]=4 3805 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,0,1,0,1,0|2,0,0]=4 3806 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,0,1,0,1,0|2,0,0]=4 3807 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,1,0,1,0|0,0,2]=4 3808 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,1,0,1,0|0,0,2]=4 3809 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,1,0,1,0|0,0,0]=2 3810 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,1,0,1,0|0,0,0]=2 3811 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,0,1,0,1,0|1,0,0]=3 3812 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,0,1,0,1,0|2,0,0]=4 3813 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,0,1,0,1,0|1,0,0]=3 3814 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,0,1,0,1,0|1,0,0]=3 3815 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,0,1,0,1,0|1,0,0]=3 3816 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,0,1,0,1,0|1,0,0]=3 3817 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,0,1,0,1,0|1,0,0]=3 3818 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,0,1,0,1,0|1,0,0]=3 3819 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,0,1,0,1,0|1,0,0]=3 3820 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,1,0,1,0|0,0,0]=2 3821 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,0,1,0,1,0|2,0,0]=4 3822 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,0,1,0,1,0|2,0,0]=4 3823 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,0,1,0,1,0|2,0,0]=4 3824 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,0,1,0,1,0|2,0,0]=4 3825 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,0,1,0,1,0|2,0,0]=4 3826 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,0,1,0,1,0|2,0,0]=4 3827 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,0,1,0,1,0|2,0,0]=4 3828 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,0,1,0,1,0|2,0,0]=4 3829 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,0,1,0,1,0|2,0,0]=4 3830 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,0,1,0,1,0|2,0,0]=4 3831 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,0,1,0,1,0|2,0,0]=4 3832 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,0,1,0,1,0|1,0,0]=3 3833 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,0,1,0,1,0|2,0,0]=4 3834 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,0,1,0,1,0|2,0,0]=4 3835 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,0,1,0,1,0|2,0,0]=4 3836 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,0,1,0,1,0|1,0,0]=3 3837 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,0,1,0,1,0|1,0,0]=3 3838 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [1,0,0,0,1,0|1,0,1]=4 3839 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [1,0,0,0,1,0|1,0,0]=3 3840 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [1,0,0,0,1,0|1,0,0]=3 3841 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [1,0,0,0,1,0|2,0,0]=4 3842 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [1,0,0,0,1,0|2,0,0]=4 3843 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [1,0,0,0,1,0|1,0,1]=4 3844 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [1,0,0,0,1,0|1,0,0]=3 3845 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [1,0,0,0,1,0|1,0,0]=3 3846 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [1,0,0,0,1,0|2,0,0]=4 3847 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [1,0,0,0,1,0|2,0,0]=4 3848 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,0,0,0,2,0|2,0,0]=4 3849 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,0,0,0,2,0|2,0,0]=4 3850 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,0,0,0,2,0|2,0,0]=4 3851 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,0,0,0,2,0|2,0,0]=4 3852 B6R1.5 CC1CN(C1)C 2230a_100000702820_200000210301 [0,0,0,0,2,0|2,0,0]=4 3853 B6R1.5 CC1CN(C1)C 269982a_100000702820_200000210301 [0,0,0,0,2,0|2,0,0]=4 3854 B6R1.5 CC1CN(C1)C 34a_100000702820_200000210301 [0,0,0,0,2,0|2,0,0]=4 3855 B6R1.5 CC1CN(C1)[13CH3] 2230a_100000702820_200025704644 [0,0,0,0,2,0|2,0,0]=4 3856 B6R1.5 CC1CN(C1)[13CH3] 269982a_100000702820_200025704644 [0,0,0,0,2,0|2,0,0]=4 3857 B6R1.5 CC1CN(C1)[13CH3] 34a_100000702820_200025704644 [0,0,0,0,2,0|2,0,0]=4 3858 B8R0.28 C=C(Br)CCOC(C)C 34a_100009813270_100000210206 [0,0,1,0,0,1|1,0,1]=4 3859 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [0,0,1,0,0,1|1,0,0]=3 3860 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [0,0,1,0,0,1|1,0,0]=3 3861 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [0,0,1,0,0,1|1,0,0]=3 3862 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [0,0,1,0,0,1|1,0,0]=3 3863 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [0,0,1,0,0,1|1,0,0]=3 3864 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [0,0,1,0,0,1|1,0,0]=3 3865 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [0,0,1,0,0,1|1,0,0]=3 3866 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [0,0,1,0,0,1|1,0,0]=3 3867 B8R0.28 C=C(C)CNCC(C)O 2230a_100000210904_100000748629 [0,0,1,0,0,1|2,0,0]=4 3868 B8R0.28 C=C(C)CNCC(C)O 34a_100000210904_100000748629 [0,0,1,0,0,1|2,0,0]=4 3869 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [0,0,1,0,0,1|0,0,2]=4 3870 B8R0.28 C=C(C)COCC(C)Br 34a_100012180447_100000748629 [0,0,1,0,0,1|2,0,0]=4 3871 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [0,0,1,0,0,1|1,0,0]=3 3872 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [0,0,1,0,0,1|1,0,0]=3 3873 B8R0.28 C=C(C)COCC(C)F 34a_100015925927_100000748629 [0,0,1,0,0,1|2,0,0]=4 3874 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [0,0,1,0,0,1|2,0,0]=4 3875 B8R0.28 C=C(C)COC[C@@H](C)Cl 34a_100016084084_100000748629 [0,0,1,0,0,1|2,0,0]=4 3876 B8R0.28 C=C(C)COC[C@@H](C)N 34a_100000737577_100000748629 [0,0,1,0,0,1|2,0,0]=4 3877 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [0,0,1,0,0,1|2,0,0]=4 3878 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [0,0,1,0,0,1|1,0,0]=3 3879 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [0,0,1,0,0,1|1,0,0]=3 3880 B8R0.28 C=C(C)CSCC(C)O 62a_100000748629_100011218427 [0,0,1,0,0,1|2,0,0]=4 3881 B8R0.28 C=C(C)CSCC(C)O 62a_100011218427_100000211660 [0,0,1,0,0,1|2,0,0]=4 3882 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100000748629_100009817552 [0,0,1,0,0,1|2,0,0]=4 3883 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100009817552_100000211660 [0,0,1,0,0,1|2,0,0]=4 3884 B8R0.28 C=C(F)CNCC(C)C 2230a_100000210953_100009893438 [0,0,1,0,0,1|1,0,1]=4 3885 B8R0.28 C=C(F)CNCC(C)C 34a_100000210953_100009893438 [0,0,1,0,0,1|1,0,1]=4 3886 B8R0.28 C=C(F)COCC(C)C 34a_100000210257_100009893438 [0,0,1,0,0,1|1,0,1]=4 3887 B8R0.28 C=C(F)COCC(C)C 34a_200010262243_100000210624 [0,0,1,0,0,1|1,0,1]=4 3888 B8R0.28 C=C(F)CSCC(C)C 62a_100000042424_100000210760 [0,0,1,0,0,1|1,0,1]=4 3889 B8R0.28 C=C(F)CSCC(C)C 62a_100000210624_100000042424 [0,0,1,0,0,1|1,0,1]=4 3890 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [0,0,1,0,0,1|2,0,0]=4 3891 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [0,0,1,0,0,1|2,0,0]=4 3892 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [0,0,1,0,0,1|1,0,1]=4 3893 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [0,0,1,0,0,1|1,0,1]=4 3894 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [0,0,1,0,0,1|1,0,1]=4 3895 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [0,0,1,0,0,1|1,0,1]=4 3896 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [0,0,1,0,0,1|1,0,1]=4 3897 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [0,0,1,0,0,1|1,0,1]=4 3898 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [0,0,1,0,0,1|1,0,1]=4 3899 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,0,1,0,0,1|0,0,1]=3 3900 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [0,0,1,0,0,1|1,0,1]=4 3901 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,0,1,0,0,1|0,0,1]=3 3902 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,0,1,0,0,1|1,0,1]=4 3903 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,0,1,0,0,1|0,0,0]=2 3904 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,0,1,0,0,1|0,0,0]=2 3905 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,0,1,0,0,1|1,0,0]=3 3906 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,0,1,0,0,1|1,0,0]=3 3907 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,0,1,0,0,1|1,0,0]=3 3908 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,0,1,0,0,1|1,0,1]=4 3909 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,0,1,0,0,1|1,0,1]=4 3910 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,0,1,0,0,1|1,0,1]=4 3911 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,0,1,0,0,1|0,0,0]=2 3912 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,0,1,0,0,1|0,0,0]=2 3913 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,0,1,0,0,1|0,0,0]=2 3914 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,0,1,0,0,1|1,0,1]=4 3915 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,0,1,0,0,1|0,0,0]=2 3916 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,0,1,0,0,1|0,0,0]=2 3917 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,0,1,0,0,1|0,0,0]=2 3918 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,0,1,0,0,1|0,0,0]=2 3919 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,0,1,0,0,1|0,0,0]=2 3920 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,0,1,0,0,1|1,0,0]=3 3921 B8R0.28 CC(=O)COCC(F)F 34a_100000211253_100011934356 [0,0,1,0,0,1|2,0,0]=4 3922 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,0,1,0,0,1|1,0,0]=3 3923 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [0,0,1,0,0,1|0,0,2]=4 3924 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [0,0,1,0,0,1|0,0,2]=4 3925 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [0,0,1,0,0,1|0,0,2]=4 3926 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,0,1,0,0,1|1,0,1]=4 3927 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,0,1,0,0,1|0,0,0]=2 3928 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,0,1,0,0,1|0,0,0]=2 3929 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,0,1,0,0,1|0,0,0]=2 3930 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,0,1,0,0,1|0,0,0]=2 3931 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,0,1,0,0,1|1,0,0]=3 3932 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,0,1,0,0,1|1,0,0]=3 3933 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [0,0,1,0,0,1|1,0,0]=3 3934 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [0,0,1,0,0,1|1,0,0]=3 3935 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [0,0,1,0,0,1|1,0,0]=3 3936 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [0,0,1,0,0,1|1,0,0]=3 3937 B8R0.28 CC(=O)NN=CC(C)C 4a_100000189765_100000210432 [0,0,1,0,0,1|1,0,1]=4 3938 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [0,0,1,0,0,1|1,0,0]=3 3939 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [0,0,1,0,0,1|2,0,0]=4 3940 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [0,0,1,0,0,1|1,0,0]=3 3941 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [0,0,1,0,0,1|1,0,0]=3 3942 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [0,0,1,0,0,1|1,0,0]=3 3943 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [0,0,1,0,0,1|1,0,0]=3 3944 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [0,0,1,0,0,1|1,0,0]=3 3945 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,0,1,0,0,1|1,0,1]=4 3946 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [0,0,1,0,0,1|1,0,1]=4 3947 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [0,0,1,0,0,1|2,0,0]=4 3948 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [0,0,1,0,0,1|2,0,0]=4 3949 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,0,1,0,0,1|0,0,1]=3 3950 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,0,1,0,0,1|0,0,0]=2 3951 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [0,0,1,0,0,1|2,0,0]=4 3952 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [0,0,1,0,0,1|2,0,0]=4 3953 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [0,0,1,0,0,1|1,0,1]=4 3954 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [0,0,1,0,0,1|1,0,1]=4 3955 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [0,0,1,0,0,1|1,0,1]=4 3956 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [0,0,1,0,0,1|1,0,1]=4 3957 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [0,0,1,0,0,1|1,0,1]=4 3958 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [0,0,1,0,0,1|1,0,1]=4 3959 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [0,0,1,0,0,1|1,0,1]=4 3960 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,0,1,0,0,1|1,0,0]=3 3961 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,0,1,0,0,1|1,0,0]=3 3962 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,0,1,0,0,1|1,0,0]=3 3963 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,0,1,0,0,1|1,0,0]=3 3964 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,0,1,0,0,1|1,0,0]=3 3965 B8R0.28 CC(C)CNCC(C)C 2230a_100000210953_100000210760 [0,0,1,0,0,1|1,0,1]=4 3966 B8R0.28 CC(C)CNCC(C)C 270004a_100000210953_100000210432 [0,0,1,0,0,1|1,0,1]=4 3967 B8R0.28 CC(C)CNCC(C)C 34a_100000210953_100000210624 [0,0,1,0,0,1|1,0,1]=4 3968 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [0,0,1,0,0,1|0,0,2]=4 3969 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [0,0,1,0,0,1|0,0,2]=4 3970 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [0,0,1,0,0,1|0,0,2]=4 3971 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [0,0,1,0,0,1|0,0,2]=4 3972 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [0,0,1,0,0,1|0,0,2]=4 3973 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [0,0,1,0,0,1|0,0,2]=4 3974 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [0,0,1,0,0,1|0,0,2]=4 3975 B8R0.28 CC(C)CNC[N+](=O)[O-] 34a_100000210953_100000761209 [0,0,1,0,0,1|2,0,0]=4 3976 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,0,1,0,0,1|1,0,0]=3 3977 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,0,1,0,0,1|0,0,0]=2 3978 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,0,1,0,0,1|1,0,0]=3 3979 B8R0.28 CC(C)COCC(C)Br 34a_100012180447_100000210624 [0,0,1,0,0,1|1,0,1]=4 3980 B8R0.28 CC(C)COCC(C)C 34a_100000210257_100000210624 [0,0,1,0,0,1|1,0,1]=4 3981 B8R0.28 CC(C)COCC(C)F 34a_100015925927_100000210624 [0,0,1,0,0,1|1,0,1]=4 3982 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [0,0,1,0,0,1|0,0,2]=4 3983 B8R0.28 CC(C)COC[C@@H](C)Cl 34a_100016084084_100000210624 [0,0,1,0,0,1|1,0,1]=4 3984 B8R0.28 CC(C)COC[C@@H](C)N 34a_100000737577_100000210624 [0,0,1,0,0,1|1,0,1]=4 3985 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [0,0,1,0,0,1|0,0,2]=4 3986 B8R0.28 CC(C)COC[N+](=O)[O-] 34a_100000210257_100000761209 [0,0,1,0,0,1|2,0,0]=4 3987 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,0,1,0,0,1|1,0,0]=3 3988 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,0,1,0,0,1|1,0,0]=3 3989 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,0,1,0,0,1|1,0,0]=3 3990 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,0,1,0,0,1|1,0,0]=3 3991 B8R0.28 CC(C)CSCC(C)C 62a_100000210624_100000210760 [0,0,1,0,0,1|1,0,1]=4 3992 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [0,0,1,0,0,1|0,0,2]=4 3993 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [0,0,1,0,0,1|0,0,2]=4 3994 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [0,0,1,0,0,1|0,0,2]=4 3995 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [0,0,1,0,0,1|0,0,2]=4 3996 B8R0.28 CC(C)CSC[N+](=O)[O-] 62a_100000210624_100000761209 [0,0,1,0,0,1|2,0,0]=4 3997 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,0,1,0,0,1|1,0,0]=3 3998 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,0,1,0,0,1|1,0,0]=3 3999 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [0,0,1,0,0,1|2,0,0]=4 4000 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,0,1,0,0,1|1,0,0]=3 4001 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,0,1,0,0,1|1,0,0]=3 4002 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,0,1,0,0,1|1,0,0]=3 4003 B8R0.28 CC(C)OCCN(C)C 2230a_100102631434_100000211751 [0,0,1,0,0,1|2,0,0]=4 4004 B8R0.28 CC(C)OCCN(C)C 269982a_100102631434_100000211751 [0,0,1,0,0,1|2,0,0]=4 4005 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [0,0,1,0,0,1|1,0,1]=4 4006 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,0,1,0,0,1|1,0,0]=3 4007 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,0,1,0,0,1|1,0,0]=3 4008 B8R0.28 CC(C)SCCN(C)C 2230a_100102631434_100000730970 [0,0,1,0,0,1|2,0,0]=4 4009 B8R0.28 CC(C)SCCN(C)C 269982a_100102631434_100000730970 [0,0,1,0,0,1|2,0,0]=4 4010 B8R0.28 CC(C)SCCN(C)C 62a_100000210206_100000755713 [0,0,1,0,0,1|2,0,0]=4 4011 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [0,0,1,0,0,1|2,0,0]=4 4012 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [0,0,1,0,0,1|2,0,0]=4 4013 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [0,0,1,0,0,1|0,0,2]=4 4014 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [0,0,1,0,0,1|0,0,2]=4 4015 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [0,0,1,0,0,1|0,0,2]=4 4016 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [0,0,1,0,0,1|0,0,2]=4 4017 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [0,0,1,0,0,1|0,0,2]=4 4018 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [0,0,1,0,0,1|0,0,2]=4 4019 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,0,1,0,0,1|2,0,0]=4 4020 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,0,1,0,0,1|2,0,0]=4 4021 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,0,1,0,0,1|2,0,0]=4 4022 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,0,1,0,0,1|2,0,0]=4 4023 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,0,1,0,0,1|2,0,0]=4 4024 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,0,1,0,0,1|2,0,0]=4 4025 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,0,1,0,0,1|2,0,0]=4 4026 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,0,1,0,0,1|2,0,0]=4 4027 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,0,1,0,0,1|2,0,0]=4 4028 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [0,0,1,0,0,1|1,0,1]=4 4029 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,0,1,0,0,1|2,0,0]=4 4030 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,0,1,0,0,1|2,0,0]=4 4031 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [0,0,1,0,0,1|2,0,0]=4 4032 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [0,0,1,0,0,1|2,0,0]=4 4033 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [0,0,1,0,0,1|2,0,0]=4 4034 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,0,1,0,0,1|2,0,0]=4 4035 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [0,0,1,0,0,1|2,0,0]=4 4036 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [0,0,1,0,0,1|2,0,0]=4 4037 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [0,0,1,0,0,1|2,0,0]=4 4038 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [0,0,1,0,0,1|2,0,0]=4 4039 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,0,1,0,0,1|2,0,0]=4 4040 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,0,1,0,0,1|2,0,0]=4 4041 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,0,1,0,0,1|2,0,0]=4 4042 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,0,1,0,0,1|2,0,0]=4 4043 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,0,1,0,0,1|2,0,0]=4 4044 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,0,1,0,0,1|2,0,0]=4