0 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 CN1CCOCC1 2230a_100015191051_200000210301 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.3 CN1CCOCC1 269982a_100015191051_200000210301 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 CN1CCOCC1 34a_100015191051_200000210301 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.3 CN1CCSCC1 2230a_100000737611_200000210301 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.3 CN1CCSCC1 269982a_100000737611_200000210301 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [0,0,0,0,0,0|2,0,2]=4 13 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [0,0,0,0,0,0|2,0,2]=4 14 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.3 [13CH3]N1CCOCC1 2230a_100015191051_200025704644 [0,0,0,0,0,0|3,0,0]=3 18 B7R1.3 [13CH3]N1CCOCC1 269982a_100015191051_200025704644 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.3 [13CH3]N1CCOCC1 34a_100015191051_200025704644 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.3 [13CH3]N1CCSCC1 2230a_100000737611_200025704644 [0,0,0,0,0,0|3,0,0]=3 21 B7R1.3 [13CH3]N1CCSCC1 269982a_100000737611_200025704644 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [0,1,0,0,0,0|3,0,0]=4 23 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [0,1,0,0,0,0|3,0,0]=4 24 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [0,1,0,0,0,0|3,0,0]=4 25 B8R1.2 CCN1CCOCC1 2230a_100015191051_100000210202 [0,1,0,0,0,0|3,0,0]=4 26 B8R1.2 CCN1CCOCC1 269982a_100015191051_100000204670 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.2 CCN1CCOCC1 34a_100015191051_100000210202 [0,1,0,0,0,0|3,0,0]=4 28 B8R1.2 CCN1CCSCC1 2230a_100000737611_100000210202 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.2 CCN1CCSCC1 269982a_100000737611_100000204670 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [0,1,0,0,0,0|1,0,1]=3 31 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [0,1,0,0,0,0|1,0,1]=3 32 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [0,1,0,0,0,0|1,0,1]=3 33 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [0,1,0,0,0,0|1,0,1]=3 34 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [0,1,0,0,0,0|1,0,1]=3 35 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [0,1,0,0,0,0|2,0,1]=4 36 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [0,1,0,0,0,0|2,0,1]=4 37 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [0,1,0,0,0,0|2,0,1]=4 38 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [0,1,0,0,0,0|2,0,1]=4 39 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [0,1,0,0,0,0|2,0,1]=4 41 B8R1.2 CNC1CCNCC1 270004a_106832991635_100015192401 [0,1,0,0,0,0|2,0,1]=4 42 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [0,1,0,0,0,0|2,0,1]=4 43 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [0,1,0,0,0,0|2,0,1]=4 44 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [0,1,0,0,0,0|2,0,1]=4 45 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [0,1,0,0,0,0|2,0,1]=4 46 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [0,1,0,0,0,0|2,0,1]=4 47 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [0,1,0,0,0,0|2,0,1]=4 48 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [0,1,0,0,0,0|2,0,1]=4 49 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [0,1,0,0,0,0|2,0,1]=4 50 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [0,1,0,0,0,0|2,0,1]=4 51 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [0,1,0,0,0,0|0,0,2]=3 52 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [0,1,0,0,0,0|0,0,2]=3 53 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [0,1,0,0,0,0|0,0,2]=3 54 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [0,1,0,0,0,0|1,0,2]=4 55 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [0,1,0,0,0,0|1,0,2]=4 56 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [0,1,0,0,0,0|1,0,2]=4 57 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [0,1,0,0,0,0|1,0,2]=4 58 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [0,1,0,0,0,0|1,0,2]=4 59 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [0,1,0,0,0,0|1,0,2]=4 60 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [0,1,0,0,0,0|1,0,2]=4 61 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [0,1,0,0,0,0|1,0,2]=4 62 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [0,1,0,0,0,0|0,1,1]=3 63 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [0,1,0,0,0,0|0,1,1]=3 64 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [0,1,0,0,0,0|1,1,1]=4 65 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [0,1,0,0,0,0|1,1,1]=4 66 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [0,1,0,0,0,0|1,1,1]=4 67 B8R1.2 FCN1CCCOC1 269982a_100000131196_100015361967 [0,1,0,0,0,0|3,0,0]=4 68 B8R1.2 FCN1CCCOC1 34a_100000131196_100015361967 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.2 FCN1CCOCC1 269982a_100015191051_100015361967 [0,1,0,0,0,0|3,0,0]=4 70 B8R1.2 FCN1CCOCC1 34a_100015191051_100015361967 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.2 FCN1CCSCC1 269982a_100000737611_100015361967 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [0,1,0,0,0,0|1,0,1]=3 73 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [0,1,0,0,0,0|1,0,1]=3 74 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [0,1,0,0,0,0|2,0,1]=4 75 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [0,1,0,0,0,0|2,0,1]=4 76 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [0,1,0,0,0,0|2,0,1]=4 77 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [0,1,0,0,0,0|2,0,1]=4 78 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [0,1,0,0,0,0|2,0,1]=4 79 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [0,1,0,0,0,0|2,0,1]=4 80 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [0,1,0,0,0,0|0,0,2]=3 81 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [0,1,0,0,0,0|0,0,2]=3 82 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [0,1,0,0,0,0|1,0,2]=4 83 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [0,1,0,0,0,0|1,0,2]=4 84 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [0,1,0,0,0,0|1,0,2]=4 85 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [0,1,0,0,0,0|1,0,2]=4 86 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [0,1,0,0,0,0|1,0,2]=4 87 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [0,1,0,0,0,0|1,0,2]=4 88 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [0,1,0,0,0,0|0,1,1]=3 89 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [0,1,0,0,0,0|0,1,1]=3 90 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [0,1,0,0,0,0|1,1,1]=4 91 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [0,1,0,0,0,0|1,1,1]=4 92 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [0,1,0,0,0,0|1,1,1]=4 93 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [0,1,0,0,0,0|2,0,0]=3 94 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [0,1,0,0,0,0|2,0,0]=3 98 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,1,0,0,0,0|2,0,1]=4 100 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,1,0,0,0,0|2,0,1]=4 101 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,1,0,0,0,0|2,0,1]=4 102 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,1,0,0,0,0|2,0,1]=4 103 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,1,0,0,0,0|2,0,1]=4 104 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,1,0,0,0,0|2,0,1]=4 105 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [0,1,0,0,0,0|2,0,0]=3 110 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.3 CN1CCC(CC1)F 2230a_100015193889_200000210301 [0,1,0,0,0,0|2,0,0]=3 112 B8R1.3 CN1CCC(CC1)F 269982a_100015193889_200000210301 [0,1,0,0,0,0|2,0,0]=3 113 B8R1.3 CN1CCC(CC1)F 34a_100015193889_200000210301 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.3 CN1CCC(CC1)O 2230a_100025773856_200000210301 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.3 CN1CCC(CC1)O 269982a_100025773856_200000210301 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.3 CN1CCN(CC1)C 2230a_100000188432_200000210301 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.3 CN1CCN(CC1)C 269982a_100000188432_200000210301 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.3 CN1CCN(CC1)[13CH3] 2230a_100000188432_200025704644 [0,1,0,0,0,0|3,0,0]=4 119 B8R1.3 CN1CCN(CC1)[13CH3] 269982a_100000188432_200025704644 [0,1,0,0,0,0|3,0,0]=4 120 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [0,1,0,0,0,0|2,0,0]=3 121 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [0,1,0,0,0,0|2,0,0]=3 122 B8R1.3 [13CH3]N1CCC(CC1)F 2230a_100015193889_200025704644 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.3 [13CH3]N1CCC(CC1)F 269982a_100015193889_200025704644 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.3 [13CH3]N1CCC(CC1)F 34a_100015193889_200025704644 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.3 [13CH3]N1CCC(CC1)O 2230a_100025773856_200025704644 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.3 [13CH3]N1CCC(CC1)O 269982a_100025773856_200025704644 [0,1,0,0,0,0|2,0,0]=3 127 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [0,1,0,0,0,0|2,0,0]=3 129 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,1,0,0,0,0|2,0,1]=4 130 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,1,0,0,0,0|2,0,1]=4 131 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,1,0,0,0,0|2,0,1]=4 132 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,1,0,0,0,0|2,0,1]=4 133 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,1,0,0,0,0|2,0,1]=4 134 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,1,0,0,0,0|2,0,1]=4 135 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [0,1,0,0,0,0|3,0,0]=4 136 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [0,1,0,0,0,0|3,0,0]=4 137 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [0,1,0,0,0,0|3,0,0]=4 140 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [0,1,0,0,0,0|3,0,0]=4 141 B8R1.4 CN1CCCC(C1)F 2230a_100000697950_200000210301 [0,1,0,0,0,0|2,0,0]=3 142 B8R1.4 CN1CCCC(C1)F 269982a_100000697950_200000210301 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.4 CN1CCCC(C1)F 34a_100000697950_200000210301 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [0,1,0,0,0,0|2,0,0]=3 146 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [0,1,0,0,0,0|2,0,0]=3 156 B8R1.4 [13CH3]N1CCCC(C1)F 2230a_100000697950_200025704644 [0,1,0,0,0,0|2,0,0]=3 157 B8R1.4 [13CH3]N1CCCC(C1)F 269982a_100000697950_200025704644 [0,1,0,0,0,0|2,0,0]=3 158 B8R1.4 [13CH3]N1CCCC(C1)F 34a_100000697950_200025704644 [0,1,0,0,0,0|2,0,0]=3 159 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [0,1,0,0,0,0|2,0,0]=3 161 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,1,0,0,0,0|2,0,0]=3 162 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [0,1,0,0,0,0|3,0,0]=4 164 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [0,1,0,0,0,0|3,0,0]=4 165 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [0,1,0,0,0,0|2,0,0]=3 166 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [0,1,0,0,0,0|2,0,0]=3 167 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [0,1,0,0,0,0|2,0,0]=3 168 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [0,1,0,0,0,0|2,0,0]=3 169 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [0,1,0,0,0,0|2,0,0]=3 170 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [0,1,0,0,0,0|2,0,0]=3 171 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [0,1,0,0,0,0|3,0,0]=4 172 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [0,1,0,0,0,0|3,0,0]=4 173 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [0,1,0,0,0,0|3,0,0]=4 174 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [0,1,0,0,0,0|3,0,0]=4 175 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [0,1,0,0,0,0|3,0,0]=4 176 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [0,1,0,0,0,0|3,0,0]=4 177 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [0,0,1,0,0,0|0,0,2]=3 178 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [0,0,1,0,0,0|1,0,2]=4 179 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [0,0,1,0,0,0|1,0,2]=4 180 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [0,0,1,0,0,0|0,0,2]=3 181 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [0,0,1,0,0,0|0,0,2]=3 182 B6R0.1 C#CCC(=O)CF 1458a_100011220946_100015361967 [0,0,1,0,0,0|1,0,2]=4 183 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [0,0,1,0,0,0|1,0,2]=4 184 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [0,0,1,0,0,0|1,0,2]=4 185 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [0,0,1,0,0,0|1,0,2]=4 186 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [0,0,1,0,0,0|0,0,2]=3 187 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [0,0,1,0,0,0|1,0,2]=4 188 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [0,0,1,0,0,0|1,0,2]=4 189 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [0,0,1,0,0,0|1,0,2]=4 190 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [0,0,1,0,0,0|0,0,2]=3 191 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [0,0,1,0,0,0|0,0,2]=3 192 B6R0.1 C=CCC(=O)CF 1458a_100000210193_100015361967 [0,0,1,0,0,0|1,0,2]=4 193 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [0,0,1,0,0,0|1,0,2]=4 194 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [0,0,1,0,0,0|1,0,2]=4 195 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [0,0,1,0,0,0|1,0,2]=4 196 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [0,0,1,0,0,0|1,0,2]=4 197 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [0,0,1,0,0,0|1,0,2]=4 198 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [0,0,1,0,0,0|0,0,2]=3 199 B6R0.1 CC#CC(=O)CF 1458a_100000763181_100015361967 [0,0,1,0,0,0|1,0,2]=4 200 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [0,0,1,0,0,0|0,0,2]=3 201 B6R0.1 CC=CC(=O)CF 1458a_100000210699_100015361967 [0,0,1,0,0,0|1,0,2]=4 202 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [0,0,1,0,0,0|1,0,2]=4 203 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [0,0,1,0,0,0|1,0,2]=4 204 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [0,0,1,0,0,0|1,0,2]=4 205 B6R0.1 CCC(=O)C=CBr 1458a_100016273825_100000210202 [0,0,1,0,0,0|1,0,2]=4 206 B6R0.1 CCC(=O)C=CCl 1458a_200016279998_100000210202 [0,0,1,0,0,0|1,0,2]=4 207 B6R0.1 CCC(=O)C=CI 1458a_100016256311_100000210202 [0,0,1,0,0,0|1,0,2]=4 208 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [0,0,1,0,0,0|1,0,1]=3 209 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [0,0,1,0,0,0|1,0,1]=3 210 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [0,0,1,0,0,0|1,0,0]=2 211 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [0,0,1,0,0,0|1,0,0]=2 212 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [0,0,1,0,0,0|1,0,0]=2 213 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [0,0,1,0,0,0|1,0,0]=2 214 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,0,1,0,0,0|1,0,0]=2 215 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,0,1,0,0,0|1,0,0]=2 216 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,0,1,0,0,0|1,0,0]=2 217 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [0,0,1,0,0,0|1,0,0]=2 218 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [0,0,1,0,0,0|1,0,0]=2 219 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [0,0,1,0,0,0|1,0,0]=2 220 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [0,0,1,0,0,0|1,0,0]=2 221 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [0,0,1,0,0,0|1,0,0]=2 222 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,0,1,0,0,0|2,0,0]=3 223 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,0,1,0,0,0|2,0,1]=4 224 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,0,1,0,0,0|2,0,1]=4 225 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,0,1,0,0,0|2,0,1]=4 226 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,0,1,0,0,0|2,0,1]=4 227 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,0,1,0,0,0|2,0,1]=4 228 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,0,1,0,0,0|2,0,1]=4 229 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,0,1,0,0,0|2,0,1]=4 230 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,0,1,0,0,0|2,0,1]=4 231 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,0,1,0,0,0|2,0,1]=4 232 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,0,1,0,0,0|2,0,1]=4 233 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,0,1,0,0,0|2,0,1]=4 234 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,0,1,0,0,0|1,0,2]=4 235 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,0,1,0,0,0|1,0,2]=4 236 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,0,1,0,0,0|1,0,2]=4 237 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,0,1,0,0,0|1,0,2]=4 238 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,0,1,0,0,0|1,0,2]=4 239 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,0,1,0,0,0|1,0,2]=4 240 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,0,1,0,0,0|1,0,2]=4 241 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,0,1,0,0,0|1,0,2]=4 242 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,0,1,0,0,0|1,0,2]=4 243 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,0,1,0,0,0|1,0,2]=4 244 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,0,1,0,0,0|0,0,0]=1 245 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,0,1,0,0,0|0,0,0]=1 246 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [0,0,1,0,0,0|1,0,0]=2 247 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [0,0,1,0,0,0|1,0,0]=2 248 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,0,1,0,0,0|1,0,0]=2 249 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,0,1,0,0,0|1,0,0]=2 250 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,0,1,0,0,0|1,0,0]=2 251 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,0,1,0,0,0|1,0,0]=2 252 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,0,1,0,0,0|2,0,1]=4 253 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,0,1,0,0,0|2,0,1]=4 254 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,0,1,0,0,0|2,0,1]=4 255 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,0,1,0,0,0|2,0,1]=4 256 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,0,1,0,0,0|2,0,1]=4 257 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,0,1,0,0,0|2,0,1]=4 258 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,0,1,0,0,0|2,0,1]=4 259 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,0,1,0,0,0|2,0,1]=4 260 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,0,1,0,0,0|2,0,1]=4 261 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,0,1,0,0,0|2,0,1]=4 262 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,0,1,0,0,0|2,0,1]=4 263 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,0,1,0,0,0|2,0,1]=4 264 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,0,1,0,0,0|2,0,1]=4 265 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,0,1,0,0,0|2,0,1]=4 266 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,0,1,0,0,0|2,0,1]=4 267 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,0,1,0,0,0|2,0,0]=3 268 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,0,1,0,0,0|2,0,0]=3 269 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,0,1,0,0,0|2,0,0]=3 270 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,0,1,0,0,0|2,0,0]=3 271 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,0,1,0,0,0|2,0,0]=3 272 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,0,1,0,0,0|2,0,0]=3 273 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [0,0,1,0,0,0|3,0,0]=4 274 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,0,1,0,0,0|2,0,0]=3 275 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,0,1,0,0,0|2,0,0]=3 276 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,0,1,0,0,0|3,0,0]=4 277 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,0,1,0,0,0|3,0,0]=4 278 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,0,1,0,0,0|3,0,0]=4 279 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,0,1,0,0,0|3,0,0]=4 280 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,0,1,0,0,0|3,0,0]=4 281 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,0,1,0,0,0|3,0,0]=4 282 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,0,1,0,0,0|3,0,0]=4 283 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,0,1,0,0,0|3,0,0]=4 284 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,0,1,0,0,0|3,0,0]=4 285 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,0,1,0,0,0|3,0,0]=4 286 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [0,0,1,0,0,0|3,0,0]=4 287 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [0,0,1,0,0,0|3,0,0]=4 288 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,0,1,0,0,0|3,0,0]=4 289 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,0,1,0,0,0|3,0,0]=4 290 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [0,0,1,0,0,0|1,0,0]=2 291 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,0,1,0,0,0|1,0,0]=2 292 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,0,1,0,0,0|1,0,0]=2 293 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,0,1,0,0,0|2,0,0]=3 294 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,0,1,0,0,0|2,0,0]=3 295 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,0,1,0,0,0|2,0,0]=3 296 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,0,1,0,0,0|2,0,0]=3 297 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,0,1,0,0,0|2,0,0]=3 298 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,0,1,0,0,0|2,0,0]=3 299 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,0,1,0,0,0|2,0,0]=3 300 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,0,1,0,0,0|2,0,0]=3 301 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,0,1,0,0,0|2,0,1]=4 302 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,0,1,0,0,0|2,0,1]=4 303 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,0,1,0,0,0|2,0,1]=4 304 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,0,1,0,0,0|2,0,1]=4 305 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,0,1,0,0,0|2,0,1]=4 306 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,0,1,0,0,0|2,0,1]=4 307 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,0,1,0,0,0|2,0,1]=4 308 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,0,1,0,0,0|2,0,1]=4 309 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,0,1,0,0,0|2,0,1]=4 310 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,0,1,0,0,0|2,0,1]=4 311 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,0,1,0,0,0|2,0,1]=4 312 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,0,1,0,0,0|2,0,1]=4 313 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,0,1,0,0,0|2,0,1]=4 314 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,0,1,0,0,0|2,0,1]=4 315 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,0,1,0,0,0|2,0,1]=4 316 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,0,1,0,0,0|2,0,1]=4 317 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [0,0,1,0,0,0|2,0,1]=4 318 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [0,0,1,0,0,0|2,0,1]=4 319 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,0,1,0,0,0|2,0,0]=3 320 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,0,1,0,0,0|2,0,0]=3 321 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,0,1,0,0,0|2,0,0]=3 322 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,0,1,0,0,0|2,0,0]=3 323 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,0,1,0,0,0|2,0,0]=3 324 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,0,1,0,0,0|2,0,0]=3 325 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,0,1,0,0,0|2,0,0]=3 326 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,0,1,0,0,0|2,0,0]=3 327 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,0,1,0,0,0|2,0,0]=3 328 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,0,1,0,0,0|2,0,0]=3 329 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,0,1,0,0,0|2,0,0]=3 330 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,0,1,0,0,0|2,0,0]=3 331 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,0,1,0,0,0|2,0,0]=3 332 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,0,1,0,0,0|2,0,0]=3 333 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,0,1,0,0,0|2,0,0]=3 334 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,0,1,0,0,0|2,0,0]=3 335 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,0,1,0,0,0|2,0,0]=3 336 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,0,1,0,0,0|2,0,0]=3 337 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,0,1,0,0,0|2,0,0]=3 338 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,0,1,0,0,0|2,0,0]=3 339 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,0,1,0,0,0|2,0,0]=3 340 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,0,1,0,0,0|2,0,0]=3 341 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,0,1,0,0,0|2,0,0]=3 342 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,0,1,0,0,0|2,0,0]=3 343 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [0,0,1,0,0,0|3,0,0]=4 344 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [0,0,1,0,0,0|3,0,0]=4 345 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [0,0,1,0,0,0|3,0,0]=4 346 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [0,0,1,0,0,0|3,0,0]=4 347 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,0,1,0,0,0|2,0,0]=3 348 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,0,1,0,0,0|2,0,0]=3 349 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,0,1,0,0,0|2,0,0]=3 350 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,0,1,0,0,0|2,0,0]=3 351 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [0,0,1,0,0,0|2,0,0]=3 352 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,0,1,0,0,0|2,0,0]=3 353 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [0,0,1,0,0,0|2,0,0]=3 354 B6R0.1 N#CCC(=O)CF 1458a_100051588842_100015361967 [0,0,1,0,0,0|2,0,1]=4 355 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [0,0,1,0,0,0|2,0,1]=4 356 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [0,0,1,0,0,0|2,0,0]=3 357 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [0,0,1,0,0,0|2,0,0]=3 358 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [0,0,1,0,0,0|2,0,0]=3 359 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,0,1,0,0,0|0,0,2]=3 360 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,0,1,0,0,0|0,0,2]=3 361 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,0,1,0,0,0|0,0,2]=3 362 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [0,0,1,0,0,0|1,0,2]=4 363 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [0,0,1,0,0,0|1,0,2]=4 364 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [0,0,1,0,0,0|1,0,2]=4 365 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [0,0,1,0,0,0|1,0,2]=4 366 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,0,1,0,0,0|0,0,2]=3 367 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [0,0,1,0,0,0|2,0,1]=4 368 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [0,0,1,0,0,0|2,0,1]=4 369 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,0,1,0,0,0|2,0,0]=3 370 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,0,1,0,0,0|2,0,0]=3 371 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,0,1,0,0,0|2,0,0]=3 372 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,0,1,0,0,0|2,0,0]=3 373 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,0,1,0,0,0|2,0,0]=3 374 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,0,1,0,0,0|2,0,0]=3 375 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,0,1,0,0,0|2,0,0]=3 376 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,0,1,0,0,0|2,0,0]=3 377 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,0,1,0,0,0|2,0,0]=3 378 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,0,1,0,0,0|2,0,0]=3 379 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,0,1,0,0,0|2,0,0]=3 380 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,0,1,0,0,0|2,0,0]=3 381 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,0,1,0,0,0|2,0,0]=3 382 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [0,0,1,0,0,0|3,0,0]=4 383 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,0,1,0,0,0|2,0,0]=3 384 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,0,1,0,0,0|2,0,0]=3 385 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [0,0,1,0,0,0|3,0,0]=4 386 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [0,0,1,0,0,0|3,0,0]=4 387 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [0,0,1,0,0,0|2,0,1]=4 388 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [0,0,1,0,0,0|2,0,1]=4 389 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [0,0,1,0,0,0|2,0,1]=4 390 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [0,0,1,0,0,0|2,0,1]=4 391 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [0,0,1,0,0,0|2,0,1]=4 392 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,0,1,0,0,0|0,0,2]=3 393 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,0,1,0,0,0|0,0,2]=3 394 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,0,1,0,0,0|0,0,2]=3 395 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,0,1,0,0,0|1,0,2]=4 396 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,0,1,0,0,0|1,0,2]=4 397 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,0,1,0,0,0|1,0,2]=4 398 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [0,0,1,0,0,0|0,0,2]=3 399 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,0,1,0,0,0|2,0,1]=4 400 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,0,1,0,0,0|2,0,1]=4 401 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,0,1,0,0,0|2,0,1]=4 402 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,0,1,0,0,0|2,0,1]=4 403 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [0,0,1,0,0,0|1,0,2]=4 404 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,0,1,0,0,0|1,0,1]=3 405 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,0,1,0,0,0|1,0,1]=3 406 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,0,1,0,0,0|1,0,0]=2 407 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,0,1,0,0,0|1,0,0]=2 408 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,0,1,0,0,0|1,0,0]=2 409 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,0,1,0,0,0|1,0,0]=2 410 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,0,1,0,0,0|1,0,0]=2 411 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,0,1,0,0,0|1,0,0]=2 412 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,0,1,0,0,0|2,0,0]=3 413 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [0,0,1,0,0,0|2,0,1]=4 414 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [0,0,1,0,0,0|2,0,1]=4 415 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,0,1,0,0,0|2,0,0]=3 416 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,0,1,0,0,0|2,0,0]=3 417 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,0,1,0,0,0|2,0,0]=3 418 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,0,1,0,0,0|2,0,0]=3 419 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,0,1,0,0,0|2,0,0]=3 420 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,0,1,0,0,0|2,0,0]=3 421 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,0,1,0,0,0|2,0,0]=3 422 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,0,1,0,0,0|2,0,0]=3 423 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [0,0,1,0,0,0|2,0,1]=4 424 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,0,1,0,0,0|2,0,1]=4 425 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,0,1,0,0,0|2,0,1]=4 426 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,0,1,0,0,0|2,0,1]=4 427 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,0,1,0,0,0|2,0,1]=4 428 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [0,0,1,0,0,0|1,0,2]=4 429 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [0,0,1,0,0,0|1,0,2]=4 430 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [0,0,1,0,0,0|1,0,2]=4 431 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,0,1,0,0,0|0,0,2]=3 432 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,0,1,0,0,0|0,0,2]=3 433 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,0,1,0,0,0|0,0,2]=3 434 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [0,0,1,0,0,0|2,0,1]=4 435 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [0,0,1,0,0,0|0,0,2]=3 436 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [0,0,1,0,0,0|0,0,2]=3 437 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,0,1,0,0,0|0,0,2]=3 438 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,0,1,0,0,0|0,0,2]=3 439 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,0,1,0,0,0|0,0,0]=1 440 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,0,1,0,0,0|0,0,0]=1 441 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,0,1,0,0,0|0,0,0]=1 442 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [0,0,1,0,0,0|2,0,0]=3 443 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [0,0,1,0,0,0|2,0,0]=3 444 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [0,0,1,0,0,0|2,0,0]=3 445 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [0,0,1,0,0,0|2,0,0]=3 446 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [0,0,1,0,0,0|2,0,0]=3 447 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [0,0,1,0,0,0|2,0,0]=3 448 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,0,1,0,0,0|1,0,0]=2 449 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,0,1,0,0,0|1,0,0]=2 450 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,0,1,0,0,0|1,0,0]=2 451 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,0,1,0,0,0|1,0,0]=2 452 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [0,0,1,0,0,0|2,0,1]=4 453 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [0,0,1,0,0,0|2,0,1]=4 454 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,0,1,0,0,0|2,0,1]=4 455 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,0,1,0,0,0|2,0,1]=4 456 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,0,1,0,0,0|2,0,1]=4 457 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,0,1,0,0,0|2,0,1]=4 458 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,0,1,0,0,0|2,0,0]=3 459 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,0,1,0,0,0|2,0,0]=3 460 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,0,1,0,0,0|2,0,0]=3 461 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [0,0,1,0,0,0|2,0,1]=4 462 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [0,0,1,0,0,0|2,0,1]=4 463 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [0,0,1,0,0,0|2,0,1]=4 464 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [0,0,1,0,0,0|2,0,1]=4 465 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [0,0,1,0,0,0|1,0,2]=4 466 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [0,0,1,0,0,0|1,0,2]=4 467 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [0,0,1,0,0,0|1,0,2]=4 468 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [0,0,1,0,0,0|1,0,2]=4 469 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,0,1,0,0,0|2,0,0]=3 470 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,0,1,0,0,0|1,0,0]=2 471 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,0,1,0,0,0|1,0,0]=2 472 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,0,1,0,0,0|2,0,0]=3 473 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,0,1,0,0,0|1,0,0]=2 474 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,0,1,0,0,0|2,0,0]=3 475 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [0,0,1,0,0,0|2,0,1]=4 476 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,0,1,0,0,0|2,0,1]=4 477 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,0,1,0,0,0|2,0,1]=4 478 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [0,0,1,0,0,0|2,0,1]=4 479 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,0,1,0,0,0|1,0,2]=4 480 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [0,0,1,0,0,0|3,0,0]=4 481 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [0,0,1,0,0,0|2,0,1]=4 482 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [0,0,1,0,0,0|2,0,1]=4 483 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,0,1,0,0,0|1,0,2]=4 484 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [0,0,1,0,0,0|3,0,0]=4 485 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,0,1,0,0,0|1,0,0]=2 486 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,0,1,0,0,0|2,0,0]=3 487 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,0,1,0,0,0|2,0,0]=3 488 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,0,1,0,0,0|1,0,0]=2 489 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,0,1,0,0,0|2,0,0]=3 490 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,0,1,0,0,0|2,0,0]=3 491 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,0,1,0,0,0|2,0,1]=4 492 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,0,1,0,0,0|2,0,1]=4 493 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [0,0,1,0,0,0|1,0,2]=4 494 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [0,0,1,0,0,0|1,0,2]=4 495 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [0,0,1,0,0,0|1,0,2]=4 496 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [0,0,1,0,0,0|1,0,2]=4 497 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [0,0,1,0,0,0|3,0,0]=4 498 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [0,0,1,0,0,0|3,0,0]=4 499 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [0,0,1,0,0,0|3,0,0]=4 500 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [0,0,1,0,0,0|3,0,0]=4 501 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [0,0,1,0,0,0|3,0,0]=4 502 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [0,0,1,0,0,0|3,0,0]=4 503 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [0,0,1,0,0,0|3,0,0]=4 504 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [0,0,1,0,0,0|3,0,0]=4 505 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [0,0,1,0,0,0|3,0,0]=4 506 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [0,0,1,0,0,0|3,0,0]=4 507 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,0,1,0,0,0|2,0,1]=4 508 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,0,1,0,0,0|2,0,1]=4 509 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,0,1,0,0,0|2,0,1]=4 510 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,0,1,0,0,0|2,0,1]=4 511 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,0,1,0,0,0|1,0,0]=2 512 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,0,1,0,0,0|2,0,0]=3 513 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,0,1,0,0,0|2,0,0]=3 514 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,0,1,0,0,0|2,0,0]=3 515 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,0,1,0,0,0|2,0,1]=4 516 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,0,1,0,0,0|2,0,1]=4 517 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,0,1,0,0,0|2,0,1]=4 518 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,0,1,0,0,0|2,0,1]=4 519 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [0,0,1,0,0,0|1,0,2]=4 520 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [0,0,1,0,0,0|1,0,2]=4 521 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [0,0,1,0,0,0|1,0,2]=4 522 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [0,0,1,0,0,0|1,0,2]=4 523 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [0,0,1,0,0,0|3,0,0]=4 524 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,0,1,0,0,0|2,0,0]=3 525 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,0,1,0,0,0|3,0,0]=4 526 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [0,0,1,0,0,0|1,0,2]=4 527 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [0,0,1,0,0,0|1,0,2]=4 528 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,0,1,0,0,0|2,0,1]=4 529 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,0,1,0,0,0|2,0,1]=4 530 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,0,1,0,0,0|1,0,0]=2 531 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,0,1,0,0,0|1,0,0]=2 532 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,0,1,0,0,0|1,0,0]=2 533 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,0,1,0,0,0|1,0,0]=2 534 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,0,1,0,0,0|2,0,0]=3 535 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,0,1,0,0,0|2,0,0]=3 536 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,0,1,0,0,0|2,0,0]=3 537 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,0,1,0,0,0|1,0,0]=2 538 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [0,0,1,0,0,0|2,0,1]=4 539 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,0,1,0,0,0|2,0,1]=4 540 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,0,1,0,0,0|2,0,1]=4 541 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,0,1,0,0,0|2,0,1]=4 542 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,0,1,0,0,0|1,0,2]=4 543 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [0,0,1,0,0,0|3,0,0]=4 544 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [0,0,1,0,0,0|3,0,0]=4 545 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [0,0,1,0,0,0|3,0,0]=4 546 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [0,0,1,0,0,0|3,0,0]=4 547 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [0,0,1,0,0,0|3,0,0]=4 548 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [0,0,1,0,0,0|3,0,0]=4 549 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,0,1,0,0,0|2,0,1]=4 550 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,0,1,0,0,0|2,0,0]=3 551 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,0,1,0,0,0|2,0,1]=4 552 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,0,1,0,0,0|2,0,1]=4 553 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,0,1,0,0,0|1,0,0]=2 554 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,0,1,0,0,0|1,0,0]=2 555 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,0,1,0,0,0|1,0,0]=2 556 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,0,1,0,0,0|1,0,0]=2 557 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,0,1,0,0,0|2,0,0]=3 558 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,0,1,0,0,0|2,0,0]=3 559 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,0,1,0,0,0|1,0,0]=2 560 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,0,1,0,0,0|2,0,1]=4 561 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,0,1,0,0,0|2,0,1]=4 562 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [0,0,1,0,0,0|1,0,2]=4 563 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [0,0,1,0,0,0|1,0,2]=4 564 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [0,0,1,0,0,0|3,0,0]=4 565 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [0,0,1,0,0,0|3,0,0]=4 566 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [0,0,1,0,0,0|3,0,0]=4 567 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [0,0,1,0,0,0|3,0,0]=4 568 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [0,0,1,0,0,0|3,0,0]=4 569 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [0,0,1,0,0,0|3,0,0]=4 570 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [0,0,1,0,0,0|3,0,0]=4 571 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,0,1,0,0,0|2,0,0]=3 572 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,0,1,0,0,0|2,0,0]=3 573 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,0,1,0,0,0|2,0,1]=4 574 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,0,1,0,0,0|3,0,0]=4 575 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,0,1,0,0,0|3,0,0]=4 576 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,0,1,0,0,0|3,0,0]=4 577 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [0,0,1,0,0,0|3,0,0]=4 578 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [0,0,1,0,0,0|3,0,0]=4 579 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [0,0,1,0,0,0|1,0,2]=4 580 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,0,1,0,0,0|1,0,1]=3 581 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,0,1,0,0,0|3,0,0]=4 582 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,0,1,0,0,0|2,0,0]=3 583 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,0,1,0,0,0|2,0,0]=3 584 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,0,1,0,0,0|2,0,0]=3 585 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,0,1,0,0,0|2,0,0]=3 586 B6R0.6 C#CCCCNC 2230a_106832991635_100000731252 [0,0,1,0,0,0|2,0,1]=4 587 B6R0.6 C#CCCCNC 34a_100000718082_200000210301 [0,0,1,0,0,0|2,0,1]=4 588 B6R0.6 C#CCCCNC 34a_100102657272_100000695029 [0,0,1,0,0,0|2,0,1]=4 589 B6R0.6 C#CCCCNC 7a_106832991635_100011215417 [0,0,1,0,0,0|2,0,1]=4 590 B6R0.6 C#CCCCN[13CH3] 34a_100000718082_200025704644 [0,0,1,0,0,0|2,0,1]=4 591 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [0,0,1,0,0,0|2,0,1]=4 592 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [0,0,1,0,0,0|2,0,1]=4 593 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [0,0,1,0,0,0|2,0,1]=4 594 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [0,0,1,0,0,0|2,0,1]=4 595 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [0,0,1,0,0,0|2,0,1]=4 596 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [0,0,1,0,0,0|2,0,1]=4 597 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [0,0,1,0,0,0|2,0,1]=4 598 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [0,0,1,0,0,0|2,0,1]=4 599 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [0,0,1,0,0,0|2,0,1]=4 600 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [0,0,1,0,0,0|2,0,1]=4 601 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [0,0,1,0,0,0|2,0,1]=4 602 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [0,0,1,0,0,0|2,0,1]=4 603 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [0,0,1,0,0,0|2,0,1]=4 604 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [0,0,1,0,0,0|2,0,1]=4 605 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [0,0,1,0,0,0|2,0,1]=4 606 B6R0.6 C#CCNCC=O 34a_100000212058_200009817547 [0,0,1,0,0,0|1,0,2]=4 607 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [0,0,1,0,0,0|2,0,1]=4 608 B6R0.6 C#CCOCC=O 34a_100000210247_200009817547 [0,0,1,0,0,0|1,0,2]=4 609 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [0,0,1,0,0,0|2,0,1]=4 610 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [0,0,1,0,0,0|2,0,1]=4 611 B6R0.6 C#CCSCC=O 62a_100000038162_200015260668 [0,0,1,0,0,0|1,0,2]=4 612 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [0,0,1,0,0,0|2,0,1]=4 613 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [0,0,1,0,0,0|2,0,1]=4 614 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [0,0,1,0,0,0|2,0,1]=4 615 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [0,0,1,0,0,0|2,0,1]=4 616 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [0,0,1,0,0,0|2,0,1]=4 617 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [0,0,1,0,0,0|2,0,1]=4 618 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [0,0,1,0,0,0|2,0,1]=4 619 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [0,0,1,0,0,0|2,0,0]=3 620 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [0,0,1,0,0,0|2,0,0]=3 621 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [0,0,1,0,0,0|2,0,0]=3 622 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [0,0,1,0,0,0|2,0,0]=3 623 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [0,0,1,0,0,0|2,0,0]=3 624 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [0,0,1,0,0,0|2,0,0]=3 625 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [0,0,1,0,0,0|2,0,0]=3 626 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [0,0,1,0,0,0|2,0,0]=3 627 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [0,0,1,0,0,0|2,0,0]=3 628 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [0,0,1,0,0,0|2,0,0]=3 629 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [0,0,1,0,0,0|2,0,0]=3 630 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [0,0,1,0,0,0|2,0,0]=3 631 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [0,0,1,0,0,0|2,0,0]=3 632 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [0,0,1,0,0,0|2,0,0]=3 633 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [0,0,1,0,0,0|2,0,0]=3 634 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [0,0,1,0,0,0|2,0,0]=3 635 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [0,0,1,0,0,0|2,0,0]=3 636 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [0,0,1,0,0,0|2,0,0]=3 637 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [0,0,1,0,0,0|2,0,0]=3 638 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [0,0,1,0,0,0|2,0,0]=3 639 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [0,0,1,0,0,0|3,0,0]=4 640 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [0,0,1,0,0,0|2,0,0]=3 641 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [0,0,1,0,0,0|2,0,0]=3 642 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [0,0,1,0,0,0|3,0,0]=4 643 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [0,0,1,0,0,0|3,0,0]=4 644 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [0,0,1,0,0,0|1,0,2]=4 645 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,0,1,0,0,0|2,0,0]=3 646 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [0,0,1,0,0,0|3,0,0]=4 647 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [0,0,1,0,0,0|3,0,0]=4 648 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [0,0,1,0,0,0|3,0,0]=4 649 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [0,0,1,0,0,0|3,0,0]=4 650 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [0,0,1,0,0,0|3,0,0]=4 651 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [0,0,1,0,0,0|3,0,0]=4 652 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [0,0,1,0,0,0|3,0,0]=4 653 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [0,0,1,0,0,0|1,0,2]=4 654 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [0,0,1,0,0,0|3,0,0]=4 655 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,0,1,0,0,0|2,0,0]=3 656 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,0,1,0,0,0|2,0,0]=3 657 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [0,0,1,0,0,0|3,0,0]=4 658 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [0,0,1,0,0,0|3,0,0]=4 659 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [0,0,1,0,0,0|3,0,0]=4 660 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [0,0,1,0,0,0|3,0,0]=4 661 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [0,0,1,0,0,0|1,0,2]=4 662 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [0,0,1,0,0,0|1,0,2]=4 663 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,0,1,0,0,0|2,0,0]=3 664 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,0,1,0,0,0|2,0,0]=3 665 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [0,0,1,0,0,0|3,0,0]=4 666 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [0,0,1,0,0,0|3,0,0]=4 667 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [0,0,1,0,0,0|3,0,0]=4 668 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [0,0,1,0,0,0|3,0,0]=4 669 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [0,0,1,0,0,0|3,0,0]=4 670 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [0,0,1,0,0,0|3,0,0]=4 671 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [0,0,1,0,0,0|3,0,0]=4 672 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [0,0,1,0,0,0|3,0,0]=4 673 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [0,0,1,0,0,0|3,0,0]=4 674 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [0,0,1,0,0,0|3,0,0]=4 675 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [0,0,1,0,0,0|3,0,0]=4 676 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [0,0,1,0,0,0|3,0,0]=4 677 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [0,0,1,0,0,0|3,0,0]=4 678 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [0,0,1,0,0,0|3,0,0]=4 679 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [0,0,1,0,0,0|3,0,0]=4 680 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [0,0,1,0,0,0|3,0,0]=4 681 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [0,0,1,0,0,0|3,0,0]=4 682 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [0,0,1,0,0,0|3,0,0]=4 683 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [0,0,1,0,0,0|2,0,1]=4 684 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [0,0,1,0,0,0|2,0,1]=4 685 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [0,0,1,0,0,0|2,0,1]=4 686 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [0,0,1,0,0,0|2,0,1]=4 687 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [0,0,1,0,0,0|3,0,0]=4 688 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [0,0,1,0,0,0|2,0,0]=3 689 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [0,0,1,0,0,0|2,0,0]=3 690 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [0,0,1,0,0,0|2,0,0]=3 691 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [0,0,1,0,0,0|2,0,0]=3 692 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [0,0,1,0,0,0|2,0,0]=3 693 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [0,0,1,0,0,0|2,0,0]=3 694 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [0,0,1,0,0,0|2,0,0]=3 695 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [0,0,1,0,0,0|2,0,0]=3 696 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [0,0,1,0,0,0|2,0,0]=3 697 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [0,0,1,0,0,0|2,0,0]=3 698 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [0,0,1,0,0,0|2,0,0]=3 699 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [0,0,1,0,0,0|2,0,0]=3 700 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [0,0,1,0,0,0|2,0,0]=3 701 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [0,0,1,0,0,0|2,0,0]=3 702 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [0,0,1,0,0,0|2,0,1]=4 703 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [0,0,1,0,0,0|2,0,1]=4 704 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [0,0,1,0,0,0|2,0,1]=4 705 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [0,0,1,0,0,0|2,0,1]=4 706 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [0,0,1,0,0,0|2,0,1]=4 707 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [0,0,1,0,0,0|2,0,1]=4 708 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [0,0,1,0,0,0|2,0,1]=4 709 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [0,0,1,0,0,0|2,0,1]=4 710 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [0,0,1,0,0,0|2,0,1]=4 711 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [0,0,1,0,0,0|2,0,1]=4 712 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [0,0,1,0,0,0|2,0,1]=4 713 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [0,0,1,0,0,0|2,0,1]=4 714 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [0,0,1,0,0,0|2,0,1]=4 715 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [0,0,1,0,0,0|2,0,1]=4 716 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [0,0,1,0,0,0|1,0,2]=4 717 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [0,0,1,0,0,0|1,0,2]=4 718 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,0,1,0,0,0|1,0,0]=2 719 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [0,0,1,0,0,0|2,0,1]=4 720 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [0,0,1,0,0,0|2,0,1]=4 721 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [0,0,1,0,0,0|2,0,1]=4 722 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [0,0,1,0,0,0|2,0,1]=4 723 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [0,0,1,0,0,0|1,0,2]=4 724 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [0,0,1,0,0,0|3,0,0]=4 725 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [0,0,1,0,0,0|2,0,1]=4 726 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [0,0,1,0,0,0|2,0,1]=4 727 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,0,1,0,0,0|1,0,0]=2 728 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,0,1,0,0,0|1,0,0]=2 729 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [0,0,1,0,0,0|2,0,1]=4 730 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [0,0,1,0,0,0|2,0,1]=4 731 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [0,0,1,0,0,0|2,0,1]=4 732 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [0,0,1,0,0,0|1,0,2]=4 733 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [0,0,1,0,0,0|1,0,2]=4 734 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [0,0,1,0,0,0|3,0,0]=4 735 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [0,0,1,0,0,0|3,0,0]=4 736 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [0,0,1,0,0,0|3,0,0]=4 737 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [0,0,1,0,0,0|3,0,0]=4 738 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [0,0,1,0,0,0|2,0,1]=4 739 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [0,0,1,0,0,0|2,0,1]=4 740 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [0,0,1,0,0,0|2,0,1]=4 741 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [0,0,1,0,0,0|2,0,1]=4 742 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [0,0,1,0,0,0|1,0,2]=4 743 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [0,0,1,0,0,0|3,0,0]=4 744 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [0,0,1,0,0,0|3,0,0]=4 745 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [0,0,1,0,0,0|3,0,0]=4 746 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [0,0,1,0,0,0|3,0,0]=4 747 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [0,0,1,0,0,0|2,0,1]=4 748 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [0,0,1,0,0,0|2,0,1]=4 749 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [0,0,1,0,0,0|2,0,1]=4 750 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [0,0,1,0,0,0|2,0,1]=4 751 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [0,0,1,0,0,0|2,0,1]=4 752 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [0,0,1,0,0,0|1,0,2]=4 753 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [0,0,1,0,0,0|3,0,0]=4 754 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [0,0,1,0,0,0|3,0,0]=4 755 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [0,0,1,0,0,0|3,0,0]=4 756 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [0,0,1,0,0,0|3,0,0]=4 757 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [0,0,1,0,0,0|3,0,0]=4 758 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [0,0,1,0,0,0|3,0,0]=4 759 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [0,0,1,0,0,0|3,0,0]=4 760 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [0,0,1,0,0,0|3,0,0]=4 761 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [0,0,1,0,0,0|3,0,0]=4 762 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [0,0,1,0,0,0|3,0,0]=4 763 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [0,0,1,0,0,0|3,0,0]=4 764 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [0,0,1,0,0,0|3,0,0]=4 765 B6R0.6 CCOCCON 34a_100000700252_100000210202 [0,0,1,0,0,0|3,0,0]=4 766 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [0,0,1,0,0,0|3,0,0]=4 767 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [0,0,1,0,0,0|3,0,0]=4 768 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [0,0,1,0,0,0|3,0,0]=4 769 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [0,0,1,0,0,0|3,0,0]=4 770 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [0,0,1,0,0,0|3,0,0]=4 771 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [0,0,1,0,0,0|3,0,0]=4 772 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [0,0,1,0,0,0|3,0,0]=4 773 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [0,0,1,0,0,0|3,0,0]=4 774 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [0,0,1,0,0,0|3,0,0]=4 775 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [0,0,1,0,0,0|2,0,1]=4 776 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [0,0,1,0,0,0|2,0,1]=4 777 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [0,0,1,0,0,0|2,0,1]=4 778 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [0,0,1,0,0,0|2,0,1]=4 779 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [0,0,1,0,0,0|1,0,2]=4 780 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [0,0,1,0,0,0|1,0,2]=4 781 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [0,0,1,0,0,0|3,0,0]=4 782 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [0,0,1,0,0,0|3,0,0]=4 783 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [0,0,1,0,0,0|3,0,0]=4 784 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [0,0,1,0,0,0|3,0,0]=4 785 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [0,0,1,0,0,0|3,0,0]=4 786 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [0,0,1,0,0,0|3,0,0]=4 787 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [0,0,1,0,0,0|3,0,0]=4 788 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [0,0,1,0,0,0|3,0,0]=4 789 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [0,0,1,0,0,0|3,0,0]=4 790 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [0,0,1,0,0,0|3,0,0]=4 791 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [0,0,1,0,0,0|3,0,0]=4 792 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [0,0,1,0,0,0|3,0,0]=4 793 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [0,0,1,0,0,0|3,0,0]=4 794 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [0,0,1,0,0,0|3,0,0]=4 795 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [0,0,1,0,0,0|3,0,0]=4 796 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [0,0,1,0,0,0|3,0,0]=4 797 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [0,0,1,0,0,0|3,0,0]=4 798 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [0,0,1,0,0,0|3,0,0]=4 799 B6R0.6 CNCCCC#N 2230a_106832991635_100000687738 [0,0,1,0,0,0|2,0,1]=4 800 B6R0.6 CNCCCC#N 7a_106832991635_100000687738 [0,0,1,0,0,0|2,0,1]=4 801 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [0,0,1,0,0,0|1,0,0]=2 802 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [0,0,1,0,0,0|1,0,0]=2 803 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [0,0,1,0,0,0|2,0,1]=4 804 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [0,0,1,0,0,0|2,0,1]=4 805 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [0,0,1,0,0,0|2,0,1]=4 806 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [0,0,1,0,0,0|1,0,2]=4 807 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [0,0,1,0,0,0|1,0,2]=4 808 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [0,0,1,0,0,0|1,0,2]=4 809 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [0,0,1,0,0,0|1,0,2]=4 810 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [0,0,1,0,0,0|1,0,2]=4 811 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [0,0,1,0,0,0|3,0,0]=4 812 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [0,0,1,0,0,0|3,0,0]=4 813 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [0,0,1,0,0,0|3,0,0]=4 814 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [0,0,1,0,0,0|3,0,0]=4 815 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [0,0,1,0,0,0|3,0,0]=4 816 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [0,0,1,0,0,0|3,0,0]=4 817 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [0,0,1,0,0,0|3,0,0]=4 818 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [0,0,1,0,0,0|2,0,1]=4 819 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [0,0,1,0,0,0|2,0,1]=4 820 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [0,0,1,0,0,0|2,0,1]=4 821 B6R0.6 COCCCCF 34a_100011995726_200000210301 [0,0,1,0,0,0|2,0,1]=4 822 B6R0.6 COCCCCF 34a_100138415774_100000729493 [0,0,1,0,0,0|2,0,1]=4 823 B6R0.6 COCCCCF 7a_100011995726_200000210301 [0,0,1,0,0,0|2,0,1]=4 824 B6R0.6 COCCCCI 34a_200012148704_200000210301 [0,0,1,0,0,0|2,0,1]=4 825 B6R0.6 COCCCCN 34a_100000750430_200000210301 [0,0,1,0,0,0|2,0,1]=4 826 B6R0.6 COCCCCO 34a_100138415774_100011216708 [0,0,1,0,0,0|1,0,2]=4 827 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [0,0,1,0,0,0|3,0,0]=4 828 B6R0.6 COCCCOC 34a_100000740835_200000210301 [0,0,1,0,0,0|3,0,0]=4 829 B6R0.6 COCCCOC 34a_100138415774_100000740836 [0,0,1,0,0,0|3,0,0]=4 830 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [0,0,1,0,0,0|3,0,0]=4 831 B6R0.6 COCCCSC 34a_100000690336_200000210301 [0,0,1,0,0,0|3,0,0]=4 832 B6R0.6 COCCCSC 62a_100000709357_200000210301 [0,0,1,0,0,0|3,0,0]=4 833 B6R0.6 COCCCSC 62a_200000210301_100000709357 [0,0,1,0,0,0|3,0,0]=4 834 B6R0.6 COCCCSC 7a_100000690336_200000210301 [0,0,1,0,0,0|3,0,0]=4 835 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [0,0,1,0,0,0|3,0,0]=4 836 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [0,0,1,0,0,0|3,0,0]=4 837 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [0,0,1,0,0,0|2,0,0]=3 838 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [0,0,1,0,0,0|2,0,0]=3 839 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [0,0,1,0,0,0|2,0,1]=4 840 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [0,0,1,0,0,0|2,0,1]=4 841 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [0,0,1,0,0,0|1,0,0]=2 842 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [0,0,1,0,0,0|1,0,0]=2 843 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [0,0,1,0,0,0|2,0,1]=4 844 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [0,0,1,0,0,0|2,0,1]=4 845 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [0,0,1,0,0,0|1,0,2]=4 846 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [0,0,1,0,0,0|1,0,2]=4 847 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [0,0,1,0,0,0|3,0,0]=4 848 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [0,0,1,0,0,0|3,0,0]=4 849 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [0,0,1,0,0,0|3,0,0]=4 850 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [0,0,1,0,0,0|2,0,0]=3 851 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [0,0,1,0,0,0|2,0,0]=3 852 B6R0.6 N#CCSCC=O 62a_100011215382_200015260668 [0,0,1,0,0,0|2,0,1]=4 853 B6R0.6 N#CCSCC=O 62a_200015260668_100011215382 [0,0,1,0,0,0|2,0,1]=4 854 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [0,0,1,0,0,0|2,0,0]=3 855 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [0,0,1,0,0,0|2,0,0]=3 856 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [0,0,1,0,0,0|2,0,0]=3 857 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [0,0,1,0,0,0|2,0,0]=3 858 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [0,0,1,0,0,0|2,0,0]=3 859 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [0,0,1,0,0,0|2,0,1]=4 860 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [0,0,1,0,0,0|2,0,0]=3 861 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [0,0,1,0,0,0|2,0,0]=3 862 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [0,0,1,0,0,0|2,0,0]=3 863 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [0,0,1,0,0,0|2,0,0]=3 864 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [0,0,1,0,0,0|1,0,2]=4 865 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [0,0,1,0,0,0|1,0,2]=4 866 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [0,0,1,0,0,0|2,0,1]=4 867 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [0,0,1,0,0,0|2,0,1]=4 868 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [0,0,1,0,0,0|2,0,1]=4 869 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [0,0,1,0,0,0|2,0,1]=4 870 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [0,0,1,0,0,0|2,0,1]=4 871 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [0,0,1,0,0,0|2,0,1]=4 872 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [0,0,1,0,0,0|2,0,1]=4 873 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [0,0,1,0,0,0|2,0,1]=4 874 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [0,0,1,0,0,0|2,0,1]=4 875 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [0,0,1,0,0,0|1,0,0]=2 876 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [0,0,1,0,0,0|1,0,0]=2 877 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [0,0,1,0,0,0|2,0,1]=4 878 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [0,0,1,0,0,0|2,0,1]=4 879 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [0,0,1,0,0,0|1,0,2]=4 880 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [0,0,1,0,0,0|1,0,2]=4 881 B8R2.18 CN1CC2CC2C1 2230a_100000741873_200000210301 [0,0,0,1,0,0|2,0,0]=3 882 B8R2.18 CN1CC2CC2C1 269982a_100000741873_200000210301 [0,0,0,1,0,0|2,0,0]=3 883 B8R2.18 CN1CC2CC2C1 34a_100000741873_200000210301 [0,0,0,1,0,0|2,0,0]=3 884 B8R2.18 [13CH3]N1CC2CC2C1 2230a_100000741873_200025704644 [0,0,0,1,0,0|2,0,0]=3 885 B8R2.18 [13CH3]N1CC2CC2C1 269982a_100000741873_200025704644 [0,0,0,1,0,0|2,0,0]=3 886 B8R2.18 [13CH3]N1CC2CC2C1 34a_100000741873_200025704644 [0,0,0,1,0,0|2,0,0]=3 887 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [0,0,0,0,1,0|2,0,0]=3 888 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [0,0,0,0,1,0|2,0,0]=3 889 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [0,0,0,0,1,0|3,0,0]=4 890 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [0,0,0,0,1,0|3,0,0]=4 891 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [0,0,0,0,1,0|2,0,0]=3 892 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [0,0,0,0,1,0|2,0,0]=3 893 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [0,0,0,0,1,0|3,0,0]=4 894 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [0,0,0,0,1,0|3,0,0]=4 895 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [0,0,0,0,0,1|2,0,0]=3 896 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [0,0,0,0,0,1|2,0,0]=3 897 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [0,0,0,0,0,1|2,0,0]=3 898 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [0,0,0,0,0,1|2,0,0]=3 899 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [0,0,0,0,0,1|2,0,0]=3 900 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [0,0,0,0,0,1|2,0,0]=3 901 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [0,0,0,0,0,1|2,0,0]=3 902 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [0,0,0,0,0,1|2,0,0]=3 903 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [0,0,0,0,0,1|2,0,0]=3 904 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [0,0,0,0,0,1|2,0,0]=3 905 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [0,0,0,0,0,1|2,0,0]=3 906 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [0,0,0,0,0,1|2,0,0]=3 907 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,0,1,0,0,0|0,0,2]=4 908 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,0,1,0,0,0|0,0,2]=4 909 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,0,1,0,0,0|0,0,2]=4 910 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,1,0,0,0|2,0,0]=4 911 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,1,0,0,0|2,0,0]=4 912 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,1,0,0,0|2,0,0]=4 913 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,1,0,0,0|2,0,0]=4 914 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,1,0,0,0|2,0,0]=4 915 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,1,0,0,0|2,0,0]=4 916 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,1,0,0,0|2,0,0]=4 917 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,1,0,0,0|2,0,0]=4 918 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,1,0,0,0|2,0,0]=4 919 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,1,0,0,0|2,0,0]=4 920 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,1,0,0,0|0,0,2]=4 921 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,1,0,0,0|0,0,2]=4 922 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,1,0,0,0|0,0,2]=4 923 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,1,0,0,0|0,0,2]=4 924 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,1,0,0,0|0,0,2]=4 925 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,0,1,0,0,0|1,0,1]=4 926 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,0,1,0,0,0|1,0,1]=4 927 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,1,0,0,0|1,0,0]=3 928 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,1,0,0,0|1,0,0]=3 929 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,1,0,0,0|1,0,0]=3 930 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,1,0,0,0|1,0,0]=3 931 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,1,0,0,0|0,0,2]=4 932 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,1,0,0,0|0,0,2]=4 933 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,1,0,0,0|0,0,0]=2 934 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,1,0,0,0|0,0,0]=2 935 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,1,0,0,0|0,0,0]=2 936 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,0,1,0,0,0|2,0,0]=4 937 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,0,1,0,0,0|2,0,0]=4 938 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,0,1,0,0,0|2,0,0]=4 939 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,0,1,0,0,0|2,0,0]=4 940 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,0,1,0,0,0|2,0,0]=4 941 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,0,1,0,0,0|2,0,0]=4 942 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,1,0,0,0|1,0,0]=3 943 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,1,0,0,0|1,0,0]=3 944 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,1,0,0,0|1,0,0]=3 945 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,1,0,0,0|2,0,0]=4 946 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,1,0,0,0|2,0,0]=4 947 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,1,0,0,0|2,0,0]=4 948 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,1,0,0,0|2,0,0]=4 949 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,1,0,0,0|2,0,0]=4 950 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,1,0,0,0|2,0,0]=4 951 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,1,0,0,0|2,0,0]=4 952 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,1,0,0,0|1,0,0]=3 953 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,1,0,0,0|1,0,0]=3 954 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,1,0,0,0|2,0,0]=4 955 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,1,0,0,0|1,0,0]=3 956 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,1,0,0,0|2,0,0]=4 957 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,1,0,0,0|1,0,0]=3 958 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,1,0,0,0|2,0,0]=4 959 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,1,0,0,0|2,0,0]=4 960 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,1,0,0,0|1,0,0]=3 961 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,1,0,0,0|2,0,0]=4 962 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,1,0,0,0|2,0,0]=4 963 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,0,1,0,0,0|1,0,1]=4 964 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,1,0,0,0|1,0,0]=3 965 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,1,0,0,0|2,0,0]=4 966 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,1,0,0,0|2,0,0]=4 967 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,1,0,0,0|2,0,0]=4 968 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,1,0,0,0|2,0,0]=4 969 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,1,0,0,0|2,0,0]=4 970 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,1,0,0,0|2,0,0]=4 971 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,1,0,0,0|1,0,1]=4 972 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,1,0,0,0|1,0,1]=4 973 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,0,1,0,0,0|1,0,1]=4 974 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,0,1,0,0,0|1,0,1]=4 975 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,0,1,0,0,0|1,0,1]=4 976 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,0,1,0,0,0|1,0,1]=4 977 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,0,1,0,0,0|1,0,1]=4 978 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,0,1,0,0,0|1,0,1]=4 979 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,0,1,0,0,0|1,0,1]=4 980 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,0,1,0,0,0|1,0,1]=4 981 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,0,1,0,0,0|1,0,1]=4 982 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,0,1,0,0,0|1,0,1]=4 983 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,0,1,0,0,0|1,0,1]=4 984 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,0,1,0,0,0|1,0,1]=4 985 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,0,1,0,0,0|1,0,1]=4 986 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,0,1,0,0,0|1,0,1]=4 987 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,0,1,0,0,0|1,0,1]=4 988 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,0,1,0,0,0|1,0,1]=4 989 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,0,1,0,0,0|1,0,1]=4 990 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,0,1,0,0,0|1,0,1]=4 991 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,0,1,0,0,0|1,0,1]=4 992 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,1,0,0,0|1,0,1]=4 993 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,1,0,0,0|1,0,1]=4 994 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,1,0,0,0|1,0,1]=4 995 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,1,0,0,0|1,0,1]=4 996 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,1,0,0,0|1,0,1]=4 997 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,1,0,0,0|1,0,1]=4 998 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,1,0,0,0|1,0,1]=4 999 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,1,0,0,0|1,0,1]=4 1000 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,1,0,0,0|1,0,1]=4 1001 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,0,1,0,0,0|1,0,1]=4 1002 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,0,1,0,0,0|1,0,1]=4 1003 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,0,1,0,0,0|1,0,1]=4 1004 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,0,1,0,0,0|1,0,1]=4 1005 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,0,1,0,0,0|1,0,1]=4 1006 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,1,0,0,0|2,0,0]=4 1007 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,1,0,0,0|1,0,0]=3 1008 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,1,0,0,0|1,0,0]=3 1009 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,1,0,0,0|1,0,0]=3 1010 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,1,0,0,0|1,0,0]=3 1011 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,1,0,0,0|1,0,0]=3 1012 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,1,0,0,0|1,0,0]=3 1013 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,1,0,0,0|1,0,0]=3 1014 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,1,0,0,0|1,0,0]=3 1015 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,1,0,0,0|1,0,0]=3 1016 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,1,0,0,0|1,0,0]=3 1017 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,1,0,0,0|1,0,0]=3 1018 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,1,0,0,0|1,0,0]=3 1019 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,1,0,0,0|1,0,0]=3 1020 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,1,0,0,0|1,0,0]=3 1021 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,1,0,0,0|1,0,0]=3 1022 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,1,0,0,0|1,0,0]=3 1023 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,0,1,0,0,0|1,0,0]=3 1024 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,0,1,0,0,0|1,0,0]=3 1025 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,0,1,0,0,0|1,0,0]=3 1026 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,0,1,0,0,0|2,0,0]=4 1027 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,0,1,0,0,0|1,0,0]=3 1028 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,0,1,0,0,0|1,0,0]=3 1029 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,0,1,0,0,0|2,0,0]=4 1030 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,0,1,0,0,0|2,0,0]=4 1031 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,1,0,0,0|1,0,0]=3 1032 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,0,1,0,0,0|2,0,0]=4 1033 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,0,1,0,0,0|2,0,0]=4 1034 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,0,1,0,0,0|1,0,1]=4 1035 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,0,1,0,0,0|1,0,1]=4 1036 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,0,1,0,0,0|1,0,1]=4 1037 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,0,1,0,0,0|2,0,0]=4 1038 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,0,1,0,0,0|2,0,0]=4 1039 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,1,0,0,0|1,0,0]=3 1040 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,0,1,0,0,0|2,0,0]=4 1041 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,0,1,0,0,0|2,0,0]=4 1042 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,0,1,0,0,0|2,0,0]=4 1043 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,0,1,0,0,0|1,0,1]=4 1044 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,0,1,0,0,0|2,0,0]=4 1045 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,0,1,0,0,0|2,0,0]=4 1046 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,0,1,0,0,0|2,0,0]=4 1047 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,0,1,0,0,0|2,0,0]=4 1048 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,0,1,0,0,0|2,0,0]=4 1049 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,1,0,0,0|1,0,0]=3 1050 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,1,0,0,0|1,0,0]=3 1051 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,0,1,0,0,0|2,0,0]=4 1052 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,0,1,0,0,0|2,0,0]=4 1053 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,0,1,0,0,0|1,0,1]=4 1054 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,0,1,0,0,0|1,0,1]=4 1055 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,0,1,0,0,0|2,0,0]=4 1056 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,0,1,0,0,0|2,0,0]=4 1057 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,0,1,0,0,0|2,0,0]=4 1058 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,0,1,0,0,0|2,0,0]=4 1059 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,0,1,0,0,0|2,0,0]=4 1060 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,0,1,0,0,0|2,0,0]=4 1061 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,0,1,0,0,0|2,0,0]=4 1062 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,0,1,0,0,0|2,0,0]=4 1063 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,0,1,0,0,0|2,0,0]=4 1064 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,0,1,0,0,0|1,0,1]=4 1065 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,0,1,0,0,0|1,0,1]=4 1066 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,0,1,0,0,0|1,0,1]=4 1067 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,0,1,0,0,0|2,0,0]=4 1068 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,0,1,0,0,0|2,0,0]=4 1069 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,0,1,0,0,0|2,0,0]=4 1070 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,0,1,0,0,0|2,0,0]=4 1071 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [1,0,1,0,0,0|2,0,0]=4 1072 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [1,0,1,0,0,0|2,0,0]=4 1073 B5R0.2 CNCCSC 34a_100102657272_100000212216 [1,0,1,0,0,0|2,0,0]=4 1074 B5R0.2 CNCCSC 7a_106832991635_100000212216 [1,0,1,0,0,0|2,0,0]=4 1075 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,0,1,0,0,0|2,0,0]=4 1076 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,0,1,0,0,0|2,0,0]=4 1077 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,0,1,0,0,0|2,0,0]=4 1078 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,0,1,0,0,0|2,0,0]=4 1079 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,0,1,0,0,0|2,0,0]=4 1080 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,0,1,0,0,0|1,0,1]=4 1081 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,0,1,0,0,0|2,0,0]=4 1082 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,0,1,0,0,0|2,0,0]=4 1083 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,0,1,0,0,0|2,0,0]=4 1084 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,0,1,0,0,0|2,0,0]=4 1085 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,0,1,0,0,0|2,0,0]=4 1086 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,0,1,0,0,0|2,0,0]=4 1087 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,0,1,0,0,0|2,0,0]=4 1088 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,0,1,0,0,0|2,0,0]=4 1089 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,0,1,0,0,0|2,0,0]=4 1090 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,0,1,0,0,0|2,0,0]=4 1091 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,0,1,0,0,0|2,0,0]=4 1092 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,0,1,0,0,0|2,0,0]=4 1093 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,0,1,0,0,0|2,0,0]=4 1094 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,0,1,0,0,0|1,0,1]=4 1095 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,0,1,0,0,0|1,0,1]=4 1096 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [1,0,1,0,0,0|2,0,0]=4 1097 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,0,1,0,0,0|2,0,0]=4 1098 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,0,1,0,0,0|2,0,0]=4 1099 B5R0.2 CSCCSC 62a_100000212216_200000210301 [1,0,1,0,0,0|2,0,0]=4 1100 B5R0.2 CSCCSC 62a_200000210301_100000751147 [1,0,1,0,0,0|2,0,0]=4 1101 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [1,0,1,0,0,0|2,0,0]=4 1102 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [1,0,1,0,0,0|2,0,0]=4 1103 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,0,1,0,0,0|2,0,0]=4 1104 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,0,1,0,0,0|2,0,0]=4 1105 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,0,1,0,0,0|2,0,0]=4 1106 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,0,1,0,0,0|2,0,0]=4 1107 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,0,1,0,0,0|2,0,0]=4 1108 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,0,1,0,0,0|2,0,0]=4 1109 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,0,1,0,0,0|2,0,0]=4 1110 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,0,1,0,0,0|2,0,0]=4 1111 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,0,1,0,0,0|2,0,0]=4 1112 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,0,1,0,0,0|2,0,0]=4 1113 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,0,1,0,0,0|1,0,1]=4 1114 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,0,1,0,0,0|1,0,1]=4 1115 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,0,1,0,0,0|0,0,2]=4 1116 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,1,0,0,0|0,0,2]=4 1117 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,1,0,0,0|0,0,0]=2 1118 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,0,1,0,0,0|1,0,0]=3 1119 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,1,0,0,0|1,0,0]=3 1120 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,1,0,0,0|1,0,0]=3 1121 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,1,0,0,0|1,0,0]=3 1122 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,1,0,0,0|1,0,0]=3 1123 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,1,0,0,0|1,0,0]=3 1124 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,1,0,0,0|2,0,0]=4 1125 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,1,0,0,0|2,0,0]=4 1126 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,1,0,0,0|2,0,0]=4 1127 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,1,0,0,0|2,0,0]=4 1128 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,1,0,0,0|2,0,0]=4 1129 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,1,0,0,0|2,0,0]=4 1130 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,1,0,0,0|2,0,0]=4 1131 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,1,0,0,0|2,0,0]=4 1132 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,1,0,0,0|2,0,0]=4 1133 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,1,0,0,0|2,0,0]=4 1134 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,0,1,0,0,0|2,0,0]=4 1135 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,0,1,0,0,0|2,0,0]=4 1136 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,0,1,0,0,0|2,0,0]=4 1137 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,0,1,0,0,0|2,0,0]=4 1138 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [0,1,1,0,0,0|0,0,2]=4 1139 B7R0.2 C#CC(=O)CC(C)O 1458a_100000211873_100011218427 [0,1,1,0,0,0|0,0,2]=4 1140 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [0,1,1,0,0,0|0,0,1]=3 1141 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [0,1,1,0,0,0|1,0,1]=4 1142 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [0,1,1,0,0,0|0,0,2]=4 1143 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [0,1,1,0,0,0|0,0,2]=4 1144 B7R0.2 C=CC(=O)CC(C)O 1458a_100000185746_100011218427 [0,1,1,0,0,0|0,0,2]=4 1145 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [0,1,1,0,0,0|1,0,0]=3 1146 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [0,1,1,0,0,0|1,0,0]=3 1147 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [0,1,1,0,0,0|2,0,0]=4 1148 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [0,1,1,0,0,0|2,0,0]=4 1149 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [0,1,1,0,0,0|1,0,0]=3 1150 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [0,1,1,0,0,0|0,0,2]=4 1151 B7R0.2 CCC(=O)C=C(C)Cl 1458a_200042562850_100000210202 [0,1,1,0,0,0|0,0,2]=4 1152 B7R0.2 CCC(=O)C=C(C)I 1458a_100025716642_100000210202 [0,1,1,0,0,0|0,0,2]=4 1153 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,1,1,0,0,0|0,0,1]=3 1154 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,1,1,0,0,0|1,0,1]=4 1155 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,1,1,0,0,0|1,0,1]=4 1156 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,1,1,0,0,0|1,0,1]=4 1157 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [0,1,1,0,0,0|0,0,0]=2 1158 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [0,1,1,0,0,0|0,0,0]=2 1159 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [0,1,1,0,0,0|0,0,0]=2 1160 B7R0.2 CCC(=O)CC(F)F 1458a_100000210414_100011934356 [0,1,1,0,0,0|1,0,0]=3 1161 B7R0.2 CCC(=O)CN(C)C 1458a_100000750896_100000210202 [0,1,1,0,0,0|1,0,0]=3 1162 B7R0.2 CCC(=O)CN(C)C 269982a_100102631434_100000747405 [0,1,1,0,0,0|1,0,0]=3 1163 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [0,1,1,0,0,0|0,0,0]=2 1164 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [0,1,1,0,0,0|2,0,0]=4 1165 B7R0.2 CCC(=O)C[S+](C)C 1458a_200159257847_100000210202 [0,1,1,0,0,0|1,0,0]=3 1166 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,1,1,0,0,0|1,0,0]=3 1167 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,1,1,0,0,0|1,0,0]=3 1168 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,1,1,0,0,0|1,0,0]=3 1169 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,1,1,0,0,0|1,0,0]=3 1170 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [0,1,1,0,0,0|2,0,0]=4 1171 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [0,1,1,0,0,0|2,0,0]=4 1172 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [0,1,1,0,0,0|2,0,0]=4 1173 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [0,1,1,0,0,0|2,0,0]=4 1174 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [0,1,1,0,0,0|2,0,0]=4 1175 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [0,1,1,0,0,0|2,0,0]=4 1176 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [0,1,1,0,0,0|2,0,0]=4 1177 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [0,1,1,0,0,0|2,0,0]=4 1178 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [0,1,1,0,0,0|2,0,0]=4 1179 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [0,1,1,0,0,0|2,0,0]=4 1180 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [0,1,1,0,0,0|2,0,0]=4 1181 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [0,1,1,0,0,0|2,0,0]=4 1182 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [0,1,1,0,0,0|2,0,0]=4 1183 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [0,1,1,0,0,0|2,0,0]=4 1184 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [0,1,1,0,0,0|2,0,0]=4 1185 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [0,1,1,0,0,0|2,0,0]=4 1186 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [0,1,1,0,0,0|2,0,0]=4 1187 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [0,1,1,0,0,0|2,0,0]=4 1188 B7R0.2 CN(C)CC(=O)CF 1458a_100000750896_100015361967 [0,1,1,0,0,0|2,0,0]=4 1189 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [0,1,1,0,0,0|1,0,1]=4 1190 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,1,1,0,0,0|1,0,0]=3 1191 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,1,1,0,0,0|1,0,0]=3 1192 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,1,1,0,0,0|1,0,0]=3 1193 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,1,1,0,0,0|1,0,0]=3 1194 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [0,1,1,0,0,0|2,0,0]=4 1195 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [0,1,1,0,0,0|2,0,0]=4 1196 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [0,1,1,0,0,0|2,0,0]=4 1197 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [0,1,1,0,0,0|2,0,0]=4 1198 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [0,1,1,0,0,0|2,0,0]=4 1199 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [0,1,1,0,0,0|2,0,0]=4 1200 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [0,1,1,0,0,0|2,0,0]=4 1201 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,1,1,0,0,0|1,0,0]=3 1202 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [0,1,1,0,0,0|2,0,0]=4 1203 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [0,1,1,0,0,0|2,0,0]=4 1204 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [0,1,1,0,0,0|2,0,0]=4 1205 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [0,1,1,0,0,0|2,0,0]=4 1206 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [0,1,1,0,0,0|2,0,0]=4 1207 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [0,1,1,0,0,0|2,0,0]=4 1208 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [0,1,1,0,0,0|2,0,0]=4 1209 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [0,1,1,0,0,0|2,0,0]=4 1210 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [0,1,1,0,0,0|2,0,0]=4 1211 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [0,1,1,0,0,0|1,0,1]=4 1212 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [0,1,1,0,0,0|1,0,1]=4 1213 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [0,1,1,0,0,0|1,0,1]=4 1214 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [0,1,1,0,0,0|2,0,0]=4 1215 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [0,1,1,0,0,0|2,0,0]=4 1216 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [0,1,1,0,0,0|2,0,0]=4 1217 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [0,1,1,0,0,0|2,0,0]=4 1218 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [0,1,1,0,0,0|1,0,0]=3 1219 B7R0.2 C[S+](C)CC(=O)CF 1458a_200159257847_100015361967 [0,1,1,0,0,0|2,0,0]=4 1220 B7R0.2 O=C(CO)CC(F)F 1458a_100000210174_100011934356 [0,1,1,0,0,0|2,0,0]=4 1221 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,1,1,0,0,0|0,0,2]=4 1222 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [0,1,1,0,0,0|0,0,2]=4 1223 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,1,1,0,0,0|0,0,2]=4 1224 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [0,1,1,0,0,0|0,0,2]=4 1225 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [0,1,1,0,0,0|0,0,2]=4 1226 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,1,1,0,0,0|0,0,1]=3 1227 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,1,1,0,0,0|0,0,1]=3 1228 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [0,1,1,0,0,0|1,0,1]=4 1229 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [0,1,1,0,0,0|1,0,1]=4 1230 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [0,1,1,0,0,0|1,0,1]=4 1231 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [0,1,1,0,0,0|1,0,1]=4 1232 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [0,1,1,0,0,0|1,0,1]=4 1233 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [0,1,1,0,0,0|1,0,1]=4 1234 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [0,1,1,0,0,0|0,0,2]=4 1235 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [0,1,1,0,0,0|0,0,2]=4 1236 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [0,1,1,0,0,0|0,0,2]=4 1237 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [0,1,1,0,0,0|0,0,2]=4 1238 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,1,1,0,0,0|0,0,1]=3 1239 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,1,1,0,0,0|1,0,1]=4 1240 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,1,1,0,0,0|0,0,2]=4 1241 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,1,1,0,0,0|0,0,2]=4 1242 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,1,1,0,0,0|0,0,2]=4 1243 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,1,1,0,0,0|0,0,2]=4 1244 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,1,1,0,0,0|0,0,2]=4 1245 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,1,1,0,0,0|0,0,2]=4 1246 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,1,1,0,0,0|0,0,2]=4 1247 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,1,1,0,0,0|0,0,1]=3 1248 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,1,1,0,0,0|0,0,1]=3 1249 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [0,1,1,0,0,0|1,0,1]=4 1250 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,1,1,0,0,0|1,0,1]=4 1251 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,1,1,0,0,0|1,0,1]=4 1252 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,1,1,0,0,0|1,0,1]=4 1253 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,1,1,0,0,0|1,0,1]=4 1254 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,1,1,0,0,0|1,0,1]=4 1255 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,1,1,0,0,0|0,0,2]=4 1256 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,1,1,0,0,0|0,0,2]=4 1257 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,1,1,0,0,0|0,0,2]=4 1258 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,1,1,0,0,0|0,0,1]=3 1259 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [0,1,1,0,0,0|1,0,1]=4 1260 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,1,1,0,0,0|0,0,1]=3 1261 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,1,1,0,0,0|0,0,1]=3 1262 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [0,1,1,0,0,0|1,0,1]=4 1263 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,1,1,0,0,0|1,0,1]=4 1264 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,1,1,0,0,0|1,0,1]=4 1265 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,1,1,0,0,0|1,0,1]=4 1266 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,1,1,0,0,0|1,0,1]=4 1267 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,1,1,0,0,0|1,0,1]=4 1268 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,1,1,0,0,0|1,0,1]=4 1269 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,1,1,0,0,0|0,0,1]=3 1270 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [0,1,1,0,0,0|1,0,1]=4 1271 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [0,1,1,0,0,0|0,0,2]=4 1272 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,1,1,0,0,0|0,0,2]=4 1273 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,1,1,0,0,0|0,0,1]=3 1274 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,1,1,0,0,0|0,0,1]=3 1275 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,1,1,0,0,0|0,0,0]=2 1276 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,1,1,0,0,0|0,0,0]=2 1277 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,1,1,0,0,0|0,0,0]=2 1278 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,1,1,0,0,0|0,0,0]=2 1279 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,1,1,0,0,0|0,0,0]=2 1280 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,1,1,0,0,0|0,0,0]=2 1281 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,1,1,0,0,0|1,0,0]=3 1282 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,1,1,0,0,0|1,0,0]=3 1283 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,1,1,0,0,0|1,0,0]=3 1284 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [0,1,1,0,0,0|1,0,1]=4 1285 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [0,1,1,0,0,0|1,0,1]=4 1286 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,1,1,0,0,0|1,0,0]=3 1287 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,1,1,0,0,0|1,0,0]=3 1288 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,1,1,0,0,0|1,0,0]=3 1289 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,1,1,0,0,0|1,0,0]=3 1290 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,1,1,0,0,0|1,0,0]=3 1291 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,1,1,0,0,0|1,0,0]=3 1292 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,1,1,0,0,0|1,0,1]=4 1293 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,1,1,0,0,0|1,0,1]=4 1294 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,1,1,0,0,0|1,0,1]=4 1295 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,1,1,0,0,0|1,0,1]=4 1296 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,1,1,0,0,0|0,0,1]=3 1297 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,1,1,0,0,0|1,0,1]=4 1298 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,1,1,0,0,0|1,0,1]=4 1299 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,1,1,0,0,0|1,0,1]=4 1300 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,1,1,0,0,0|1,0,1]=4 1301 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,1,1,0,0,0|0,0,0]=2 1302 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,1,1,0,0,0|0,0,0]=2 1303 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,1,1,0,0,0|1,0,0]=3 1304 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,1,1,0,0,0|1,0,0]=3 1305 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,1,1,0,0,0|1,0,0]=3 1306 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,1,1,0,0,0|1,0,0]=3 1307 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,1,1,0,0,0|1,0,0]=3 1308 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,1,1,0,0,0|1,0,0]=3 1309 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [0,1,1,0,0,0|2,0,0]=4 1310 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [0,1,1,0,0,0|2,0,0]=4 1311 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [0,1,1,0,0,0|2,0,0]=4 1312 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [0,1,1,0,0,0|2,0,0]=4 1313 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [0,1,1,0,0,0|2,0,0]=4 1314 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [0,1,1,0,0,0|2,0,0]=4 1315 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [0,1,1,0,0,0|2,0,0]=4 1316 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [0,1,1,0,0,0|2,0,0]=4 1317 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,1,1,0,0,0|0,0,0]=2 1318 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,1,1,0,0,0|0,0,0]=2 1319 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,1,1,0,0,0|0,0,0]=2 1320 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,1,1,0,0,0|0,0,0]=2 1321 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,1,1,0,0,0|1,0,0]=3 1322 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,1,1,0,0,0|1,0,0]=3 1323 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,1,1,0,0,0|1,0,0]=3 1324 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,1,1,0,0,0|1,0,0]=3 1325 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,1,1,0,0,0|1,0,0]=3 1326 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,1,1,0,0,0|1,0,0]=3 1327 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,1,1,0,0,0|1,0,0]=3 1328 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,1,1,0,0,0|1,0,0]=3 1329 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,1,1,0,0,0|1,0,1]=4 1330 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,1,1,0,0,0|1,0,1]=4 1331 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,1,1,0,0,0|1,0,1]=4 1332 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,1,1,0,0,0|1,0,1]=4 1333 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,1,1,0,0,0|1,0,1]=4 1334 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [0,1,1,0,0,0|2,0,0]=4 1335 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [0,1,1,0,0,0|2,0,0]=4 1336 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [0,1,1,0,0,0|2,0,0]=4 1337 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [0,1,1,0,0,0|2,0,0]=4 1338 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [0,1,1,0,0,0|2,0,0]=4 1339 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [0,1,1,0,0,0|2,0,0]=4 1340 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [0,1,1,0,0,0|2,0,0]=4 1341 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [0,1,1,0,0,0|2,0,0]=4 1342 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [0,1,1,0,0,0|2,0,0]=4 1343 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [0,1,1,0,0,0|2,0,0]=4 1344 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [0,1,1,0,0,0|2,0,0]=4 1345 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [0,1,1,0,0,0|2,0,0]=4 1346 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [0,1,1,0,0,0|2,0,0]=4 1347 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [0,1,1,0,0,0|2,0,0]=4 1348 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [0,1,1,0,0,0|2,0,0]=4 1349 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [0,1,1,0,0,0|2,0,0]=4 1350 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [0,1,1,0,0,0|2,0,0]=4 1351 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [0,1,1,0,0,0|2,0,0]=4 1352 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,1,1,0,0,0|1,0,0]=3 1353 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,1,1,0,0,0|1,0,0]=3 1354 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,1,1,0,0,0|1,0,0]=3 1355 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,1,1,0,0,0|1,0,1]=4 1356 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,1,1,0,0,0|1,0,1]=4 1357 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,1,1,0,0,0|1,0,1]=4 1358 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,1,1,0,0,0|0,0,2]=4 1359 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,1,1,0,0,0|0,0,2]=4 1360 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,1,1,0,0,0|1,0,1]=4 1361 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,1,1,0,0,0|1,0,0]=3 1362 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,1,1,0,0,0|2,0,0]=4 1363 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [0,1,1,0,0,0|2,0,0]=4 1364 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [0,1,1,0,0,0|2,0,0]=4 1365 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [0,1,1,0,0,0|2,0,0]=4 1366 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,1,1,0,0,0|0,0,0]=2 1367 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,1,1,0,0,0|0,0,0]=2 1368 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,1,1,0,0,0|1,0,0]=3 1369 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,1,1,0,0,0|1,0,0]=3 1370 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,1,1,0,0,0|1,0,0]=3 1371 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,1,1,0,0,0|1,0,0]=3 1372 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,1,1,0,0,0|1,0,0]=3 1373 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,1,1,0,0,0|1,0,0]=3 1374 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,1,1,0,0,0|1,0,0]=3 1375 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,1,1,0,0,0|1,0,0]=3 1376 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,1,1,0,0,0|1,0,1]=4 1377 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,1,1,0,0,0|0,0,2]=4 1378 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [0,1,1,0,0,0|2,0,0]=4 1379 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,1,1,0,0,0|1,0,1]=4 1380 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,1,1,0,0,0|1,0,1]=4 1381 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,1,1,0,0,0|0,0,0]=2 1382 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,1,1,0,0,0|0,0,0]=2 1383 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,1,1,0,0,0|0,0,0]=2 1384 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,1,1,0,0,0|1,0,0]=3 1385 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,1,1,0,0,0|1,0,0]=3 1386 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,1,1,0,0,0|1,0,0]=3 1387 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,1,1,0,0,0|1,0,0]=3 1388 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,1,1,0,0,0|1,0,0]=3 1389 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,1,1,0,0,0|1,0,0]=3 1390 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,1,1,0,0,0|1,0,0]=3 1391 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,1,1,0,0,0|1,0,0]=3 1392 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,1,1,0,0,0|1,0,0]=3 1393 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,1,1,0,0,0|1,0,1]=4 1394 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,1,1,0,0,0|1,0,1]=4 1395 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,1,1,0,0,0|0,0,2]=4 1396 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,1,1,0,0,0|0,0,2]=4 1397 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,1,1,0,0,0|1,0,1]=4 1398 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,1,1,0,0,0|1,0,1]=4 1399 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [0,1,1,0,0,0|1,0,1]=4 1400 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [0,1,1,0,0,0|1,0,1]=4 1401 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [0,1,1,0,0,0|1,0,1]=4 1402 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [0,1,1,0,0,0|1,0,1]=4 1403 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,1,1,0,0,0|1,0,0]=3 1404 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,1,1,0,0,0|1,0,0]=3 1405 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,1,1,0,0,0|1,0,0]=3 1406 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,1,1,0,0,0|1,0,0]=3 1407 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,1,1,0,0,0|1,0,0]=3 1408 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,1,1,0,0,0|1,0,0]=3 1409 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,1,1,0,0,0|1,0,0]=3 1410 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,1,1,0,0,0|1,0,0]=3 1411 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,1,1,0,0,0|1,0,0]=3 1412 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,1,1,0,0,0|1,0,0]=3 1413 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,1,1,0,0,0|1,0,0]=3 1414 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,1,1,0,0,0|1,0,0]=3 1415 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,1,1,0,0,0|1,0,0]=3 1416 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,1,1,0,0,0|1,0,0]=3 1417 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,1,1,0,0,0|1,0,0]=3 1418 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,1,1,0,0,0|1,0,0]=3 1419 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,1,1,0,0,0|1,0,0]=3 1420 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,1,1,0,0,0|2,0,0]=4 1421 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [0,1,1,0,0,0|2,0,0]=4 1422 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [0,1,1,0,0,0|2,0,0]=4 1423 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,1,1,0,0,0|2,0,0]=4 1424 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,1,1,0,0,0|2,0,0]=4 1425 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,1,1,0,0,0|2,0,0]=4 1426 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,1,1,0,0,0|2,0,0]=4 1427 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,1,1,0,0,0|2,0,0]=4 1428 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,1,1,0,0,0|2,0,0]=4 1429 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,1,1,0,0,0|2,0,0]=4 1430 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,1,1,0,0,0|2,0,0]=4 1431 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,1,1,0,0,0|1,0,0]=3 1432 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,1,1,0,0,0|1,0,0]=3 1433 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,1,1,0,0,0|1,0,0]=3 1434 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,1,1,0,0,0|1,0,0]=3 1435 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,1,1,0,0,0|1,0,0]=3 1436 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,1,1,0,0,0|1,0,0]=3 1437 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,1,1,0,0,0|1,0,0]=3 1438 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,1,1,0,0,0|1,0,0]=3 1439 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,1,1,0,0,0|1,0,0]=3 1440 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,1,1,0,0,0|1,0,0]=3 1441 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,1,1,0,0,0|1,0,0]=3 1442 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,1,1,0,0,0|1,0,0]=3 1443 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [0,1,1,0,0,0|2,0,0]=4 1444 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [0,1,1,0,0,0|2,0,0]=4 1445 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,1,1,0,0,0|2,0,0]=4 1446 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,1,1,0,0,0|2,0,0]=4 1447 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,1,1,0,0,0|1,0,0]=3 1448 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,1,1,0,0,0|1,0,0]=3 1449 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,1,1,0,0,0|1,0,0]=3 1450 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,1,1,0,0,0|1,0,0]=3 1451 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,1,1,0,0,0|1,0,0]=3 1452 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [0,1,1,0,0,0|1,0,1]=4 1453 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [0,1,1,0,0,0|1,0,1]=4 1454 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,1,1,0,0,0|1,0,0]=3 1455 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,1,1,0,0,0|1,0,0]=3 1456 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,1,1,0,0,0|2,0,0]=4 1457 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,1,1,0,0,0|2,0,0]=4 1458 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,1,1,0,0,0|2,0,0]=4 1459 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,1,1,0,0,0|2,0,0]=4 1460 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [0,1,1,0,0,0|0,0,2]=4 1461 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [0,1,1,0,0,0|0,0,2]=4 1462 B7R0.5 C#CCC(=O)C(C)F 1458a_100000062450_100000184674 [0,1,1,0,0,0|0,0,2]=4 1463 B7R0.5 C#CCC(=O)[C@@H](C)O 1458a_100000717761_100000184674 [0,1,1,0,0,0|0,0,2]=4 1464 B7R0.5 C#CCC(=O)[C@H](C)O 1458a_217856618621_100000184674 [0,1,1,0,0,0|0,0,2]=4 1465 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [0,1,1,0,0,0|0,0,1]=3 1466 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [0,1,1,0,0,0|1,0,1]=4 1467 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [0,1,1,0,0,0|1,0,1]=4 1468 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [0,1,1,0,0,0|1,0,1]=4 1469 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [0,1,1,0,0,0|0,0,2]=4 1470 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [0,1,1,0,0,0|0,0,2]=4 1471 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [0,1,1,0,0,0|0,0,2]=4 1472 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [0,1,1,0,0,0|0,0,2]=4 1473 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [0,1,1,0,0,0|0,0,2]=4 1474 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [0,1,1,0,0,0|0,0,2]=4 1475 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,1,1,0,0,0|1,0,1]=4 1476 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,1,1,0,0,0|1,0,1]=4 1477 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [0,1,1,0,0,0|1,0,1]=4 1478 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [0,1,1,0,0,0|1,0,1]=4 1479 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [0,1,1,0,0,0|1,0,0]=3 1480 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [0,1,1,0,0,0|1,0,0]=3 1481 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [0,1,1,0,0,0|1,0,0]=3 1482 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [0,1,1,0,0,0|1,0,0]=3 1483 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [0,1,1,0,0,0|1,0,0]=3 1484 B7R0.5 CC(F)C(=O)CC#N 1458a_100000062450_100011214920 [0,1,1,0,0,0|1,0,1]=4 1485 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [0,1,1,0,0,0|1,0,0]=3 1486 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [0,1,1,0,0,0|1,0,0]=3 1487 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [0,1,1,0,0,0|0,0,2]=4 1488 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [0,1,1,0,0,0|0,0,0]=2 1489 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [0,1,1,0,0,0|0,0,0]=2 1490 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [0,1,1,0,0,0|0,0,0]=2 1491 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [0,1,1,0,0,0|1,0,0]=3 1492 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,1,1,0,0,0|1,0,0]=3 1493 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,1,1,0,0,0|1,0,0]=3 1494 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,1,1,0,0,0|1,0,0]=3 1495 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,1,1,0,0,0|1,0,0]=3 1496 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [0,1,1,0,0,0|0,0,0]=2 1497 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [0,1,1,0,0,0|0,0,0]=2 1498 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [0,1,1,0,0,0|2,0,0]=4 1499 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [0,1,1,0,0,0|2,0,0]=4 1500 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [0,1,1,0,0,0|2,0,0]=4 1501 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [0,1,1,0,0,0|2,0,0]=4 1502 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [0,1,1,0,0,0|2,0,0]=4 1503 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [0,1,1,0,0,0|2,0,0]=4 1504 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [0,1,1,0,0,0|2,0,0]=4 1505 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,1,1,0,0,0|1,0,1]=4 1506 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,1,1,0,0,0|1,0,1]=4 1507 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,1,1,0,0,0|1,0,0]=3 1508 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,1,1,0,0,0|1,0,0]=3 1509 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,1,1,0,0,0|1,0,0]=3 1510 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,1,1,0,0,0|1,0,0]=3 1511 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,1,1,0,0,0|1,0,0]=3 1512 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,1,1,0,0,0|1,0,0]=3 1513 B7R0.5 CCNC(=O)C(F)F 11a_100015525214_100000210393 [0,1,1,0,0,0|2,0,0]=4 1514 B7R0.5 CCNC(=O)C(F)F 240690a_100015525214_100000210393 [0,1,1,0,0,0|2,0,0]=4 1515 B7R0.5 CCNC(=O)C(F)F 527a_100015525214_100000210393 [0,1,1,0,0,0|2,0,0]=4 1516 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [0,1,1,0,0,0|2,0,0]=4 1517 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [0,1,1,0,0,0|2,0,0]=4 1518 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,1,1,0,0,0|1,0,0]=3 1519 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,1,1,0,0,0|1,0,0]=3 1520 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [0,1,1,0,0,0|2,0,0]=4 1521 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [0,1,1,0,0,0|2,0,0]=4 1522 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [0,1,1,0,0,0|2,0,0]=4 1523 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [0,1,1,0,0,0|2,0,0]=4 1524 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,1,1,0,0,0|1,0,1]=4 1525 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [0,1,1,0,0,0|1,0,0]=3 1526 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [0,1,1,0,0,0|1,0,0]=3 1527 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [0,1,1,0,0,0|1,0,0]=3 1528 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [0,1,1,0,0,0|2,0,0]=4 1529 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [0,1,1,0,0,0|2,0,0]=4 1530 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [0,1,1,0,0,0|2,0,0]=4 1531 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [0,1,1,0,0,0|2,0,0]=4 1532 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [0,1,1,0,0,0|2,0,0]=4 1533 B7R0.5 CNNC(=O)C(C)F 22a_100016993582_100000062450 [0,1,1,0,0,0|2,0,0]=4 1534 B7R0.5 CNNC(=O)[C@@H](C)O 22a_100016993582_100000717761 [0,1,1,0,0,0|2,0,0]=4 1535 B7R0.5 CNNC(=O)[C@H](C)O 22a_100016993582_217856618621 [0,1,1,0,0,0|2,0,0]=4 1536 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,1,1,0,0,0|1,0,1]=4 1537 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [0,1,1,0,0,0|1,0,0]=3 1538 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [0,1,1,0,0,0|1,0,0]=3 1539 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [0,1,1,0,0,0|2,0,0]=4 1540 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [0,1,1,0,0,0|2,0,0]=4 1541 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [0,1,1,0,0,0|2,0,0]=4 1542 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [0,1,1,0,0,0|2,0,0]=4 1543 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [0,1,1,0,0,0|2,0,0]=4 1544 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,1,1,0,0,0|1,0,1]=4 1545 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,1,1,0,0,0|1,0,1]=4 1546 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [0,1,1,0,0,0|1,0,0]=3 1547 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [0,1,1,0,0,0|1,0,0]=3 1548 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [0,1,1,0,0,0|1,0,0]=3 1549 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [0,1,1,0,0,0|2,0,0]=4 1550 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [0,1,1,0,0,0|2,0,0]=4 1551 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [0,1,1,0,0,0|2,0,0]=4 1552 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [0,1,1,0,0,0|2,0,0]=4 1553 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [0,1,1,0,0,0|2,0,0]=4 1554 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [0,1,1,0,0,0|2,0,0]=4 1555 B7R0.5 C[C@@H](O)C(=O)CC#N 1458a_100000717761_100011214920 [0,1,1,0,0,0|1,0,1]=4 1556 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [0,1,1,0,0,0|1,0,0]=3 1557 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [0,1,1,0,0,0|1,0,0]=3 1558 B7R0.5 C[C@H](O)C(=O)CC#N 1458a_217856618621_100011214920 [0,1,1,0,0,0|1,0,1]=4 1559 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [0,1,1,0,0,0|1,0,0]=3 1560 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [0,1,1,0,0,0|1,0,0]=3 1561 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [0,1,1,0,0,0|2,0,0]=4 1562 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [0,1,1,0,0,0|2,0,0]=4 1563 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [0,1,1,0,0,0|0,0,1]=3 1564 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [0,1,1,0,0,0|0,0,1]=3 1565 B7R0.7 C#CCC(=O)CCF 1458a_100011220946_100011217306 [0,1,1,0,0,0|0,0,2]=4 1566 B7R0.7 C#CCC(=O)CCO 1458a_100011216618_100000184674 [0,1,1,0,0,0|0,0,2]=4 1567 B7R0.7 C#CCC(=O)CCO 1458a_100011220946_100000211926 [0,1,1,0,0,0|0,0,2]=4 1568 B7R0.7 C#CCC(=O)COC 1458a_100000210968_100000184674 [0,1,1,0,0,0|0,0,2]=4 1569 B7R0.7 C#CCC(=O)CSC 1458a_100000184570_100000184674 [0,1,1,0,0,0|0,0,2]=4 1570 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [0,1,1,0,0,0|0,0,2]=4 1571 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,1,1,0,0,0|0,0,1]=3 1572 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,1,1,0,0,0|0,0,1]=3 1573 B7R0.7 C=CCC(=O)CCF 1458a_100000210193_100011217306 [0,1,1,0,0,0|0,0,2]=4 1574 B7R0.7 C=CCC(=O)CCO 1458a_100000210193_100000211926 [0,1,1,0,0,0|0,0,2]=4 1575 B7R0.7 C=CCC(=O)CCO 1458a_100011216618_100000210623 [0,1,1,0,0,0|0,0,2]=4 1576 B7R0.7 C=CCC(=O)COC 1458a_100000210968_100000210623 [0,1,1,0,0,0|0,0,2]=4 1577 B7R0.7 C=CCC(=O)CSC 1458a_100000184570_100000210623 [0,1,1,0,0,0|0,0,2]=4 1578 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,1,1,0,0,0|0,0,2]=4 1579 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,1,1,0,0,0|0,0,2]=4 1580 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,1,1,0,0,0|0,0,2]=4 1581 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [0,1,1,0,0,0|0,0,1]=3 1582 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [0,1,1,0,0,0|0,0,2]=4 1583 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [0,1,1,0,0,0|0,0,2]=4 1584 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,1,1,0,0,0|0,0,1]=3 1585 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,1,1,0,0,0|0,0,2]=4 1586 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,1,1,0,0,0|0,0,2]=4 1587 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,1,1,0,0,0|0,0,2]=4 1588 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,1,1,0,0,0|0,0,2]=4 1589 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,1,1,0,0,0|0,0,2]=4 1590 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,1,1,0,0,0|0,0,2]=4 1591 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,1,1,0,0,0|0,0,2]=4 1592 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [0,1,1,0,0,0|0,0,1]=3 1593 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [0,1,1,0,0,0|0,0,1]=3 1594 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,1,1,0,0,0|0,0,0]=2 1595 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,1,1,0,0,0|0,0,0]=2 1596 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,1,1,0,0,0|0,0,0]=2 1597 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,1,1,0,0,0|0,0,0]=2 1598 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,1,1,0,0,0|0,0,0]=2 1599 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,1,1,0,0,0|0,0,0]=2 1600 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,1,1,0,0,0|0,0,0]=2 1601 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,1,1,0,0,0|0,0,0]=2 1602 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,1,1,0,0,0|0,0,0]=2 1603 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,1,1,0,0,0|0,0,0]=2 1604 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,1,1,0,0,0|0,0,0]=2 1605 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,1,1,0,0,0|0,0,0]=2 1606 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,1,1,0,0,0|0,0,0]=2 1607 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,1,1,0,0,0|0,0,0]=2 1608 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,1,1,0,0,0|0,0,0]=2 1609 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,1,1,0,0,0|1,0,0]=3 1610 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,1,1,0,0,0|1,0,1]=4 1611 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,1,1,0,0,0|1,0,1]=4 1612 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,1,1,0,0,0|1,0,1]=4 1613 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,1,1,0,0,0|1,0,1]=4 1614 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,1,1,0,0,0|1,0,1]=4 1615 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,1,1,0,0,0|1,0,1]=4 1616 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,1,1,0,0,0|1,0,1]=4 1617 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,1,1,0,0,0|1,0,1]=4 1618 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,1,1,0,0,0|1,0,1]=4 1619 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,1,1,0,0,0|1,0,1]=4 1620 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,1,1,0,0,0|1,0,1]=4 1621 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,1,1,0,0,0|1,0,1]=4 1622 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,1,1,0,0,0|1,0,1]=4 1623 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,1,1,0,0,0|1,0,1]=4 1624 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,1,1,0,0,0|1,0,1]=4 1625 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,1,1,0,0,0|1,0,1]=4 1626 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,1,1,0,0,0|1,0,1]=4 1627 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,1,1,0,0,0|1,0,1]=4 1628 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,1,1,0,0,0|1,0,1]=4 1629 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,1,1,0,0,0|1,0,1]=4 1630 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,1,1,0,0,0|1,0,1]=4 1631 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [0,1,1,0,0,0|2,0,0]=4 1632 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [0,1,1,0,0,0|2,0,0]=4 1633 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [0,1,1,0,0,0|2,0,0]=4 1634 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [0,1,1,0,0,0|2,0,0]=4 1635 B7R0.7 CCCN(C)CCF 2230a_100000747261_100011217306 [0,1,1,0,0,0|2,0,0]=4 1636 B7R0.7 CCCN(C)CCF 269982a_100000747261_100011217306 [0,1,1,0,0,0|2,0,0]=4 1637 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [0,1,1,0,0,0|2,0,0]=4 1638 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [0,1,1,0,0,0|2,0,0]=4 1639 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [0,1,1,0,0,0|2,0,0]=4 1640 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [0,1,1,0,0,0|2,0,0]=4 1641 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [0,1,1,0,0,0|2,0,0]=4 1642 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [0,1,1,0,0,0|2,0,0]=4 1643 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [0,1,1,0,0,0|2,0,0]=4 1644 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [0,1,1,0,0,0|2,0,0]=4 1645 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [0,1,1,0,0,0|2,0,0]=4 1646 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [0,1,1,0,0,0|2,0,0]=4 1647 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [0,1,1,0,0,0|2,0,0]=4 1648 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [0,1,1,0,0,0|2,0,0]=4 1649 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [0,1,1,0,0,0|2,0,0]=4 1650 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [0,1,1,0,0,0|2,0,0]=4 1651 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,1,1,0,0,0|1,0,1]=4 1652 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,1,1,0,0,0|1,0,1]=4 1653 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [0,1,1,0,0,0|1,0,1]=4 1654 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,1,1,0,0,0|1,0,0]=3 1655 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,1,1,0,0,0|1,0,0]=3 1656 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,1,1,0,0,0|1,0,0]=3 1657 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,1,1,0,0,0|1,0,0]=3 1658 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,1,1,0,0,0|1,0,0]=3 1659 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,1,1,0,0,0|1,0,0]=3 1660 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,1,1,0,0,0|1,0,0]=3 1661 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,1,1,0,0,0|1,0,0]=3 1662 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,1,1,0,0,0|1,0,0]=3 1663 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,1,1,0,0,0|1,0,0]=3 1664 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,1,1,0,0,0|1,0,0]=3 1665 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,1,1,0,0,0|1,0,0]=3 1666 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,1,1,0,0,0|1,0,0]=3 1667 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,1,1,0,0,0|1,0,0]=3 1668 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,1,1,0,0,0|1,0,0]=3 1669 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,1,1,0,0,0|1,0,0]=3 1670 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,1,1,0,0,0|1,0,0]=3 1671 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,1,1,0,0,0|1,0,0]=3 1672 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,1,1,0,0,0|1,0,0]=3 1673 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,1,1,0,0,0|1,0,0]=3 1674 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,1,1,0,0,0|2,0,0]=4 1675 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,1,1,0,0,0|2,0,0]=4 1676 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,1,1,0,0,0|2,0,0]=4 1677 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,1,1,0,0,0|1,0,0]=3 1678 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,1,1,0,0,0|1,0,0]=3 1679 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,1,1,0,0,0|1,0,0]=3 1680 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,1,1,0,0,0|1,0,0]=3 1681 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,1,1,0,0,0|1,0,0]=3 1682 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,1,1,0,0,0|1,0,0]=3 1683 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,1,1,0,0,0|1,0,0]=3 1684 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,1,1,0,0,0|1,0,0]=3 1685 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,1,1,0,0,0|2,0,0]=4 1686 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,1,1,0,0,0|2,0,0]=4 1687 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,1,1,0,0,0|2,0,0]=4 1688 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,1,1,0,0,0|2,0,0]=4 1689 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,1,1,0,0,0|2,0,0]=4 1690 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [0,1,1,0,0,0|2,0,0]=4 1691 B7R0.7 COCC(=O)CC#N 1458a_100000210968_100011214920 [0,1,1,0,0,0|1,0,1]=4 1692 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,1,1,0,0,0|1,0,0]=3 1693 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,1,1,0,0,0|1,0,0]=3 1694 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,1,1,0,0,0|2,0,0]=4 1695 B7R0.7 CSCC(=O)CC#N 1458a_100000184570_100011214920 [0,1,1,0,0,0|1,0,1]=4 1696 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [0,1,1,0,0,0|1,0,0]=3 1697 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,1,1,0,0,0|1,0,0]=3 1698 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [0,1,1,0,0,0|2,0,0]=4 1699 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [0,1,1,0,0,0|2,0,0]=4 1700 B7R0.7 N#CCC(=O)CCF 1458a_100051588842_100011217306 [0,1,1,0,0,0|1,0,1]=4 1701 B7R0.7 N#CCC(=O)CCO 1458a_100011216618_100011214920 [0,1,1,0,0,0|1,0,1]=4 1702 B7R0.7 N#CCC(=O)CCO 1458a_100051588842_100000211926 [0,1,1,0,0,0|1,0,1]=4 1703 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [0,1,1,0,0,0|1,0,0]=3 1704 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [0,1,1,0,0,0|1,0,0]=3 1705 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [0,1,1,0,0,0|2,0,0]=4 1706 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [0,1,1,0,0,0|2,0,0]=4 1707 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [0,1,1,0,0,0|0,0,2]=4 1708 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [0,1,1,0,0,0|0,0,2]=4 1709 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,1,0,0,0|0,0,2]=4 1710 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,1,1,0,0,0|0,0,2]=4 1711 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,1,1,0,0,0|0,0,2]=4 1712 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,1,1,0,0,0|1,0,1]=4 1713 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [0,1,1,0,0,0|1,0,1]=4 1714 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [0,1,1,0,0,0|1,0,1]=4 1715 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,1,0,0,0|0,0,0]=2 1716 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,1,0,0,0|0,0,0]=2 1717 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,1,1,0,0,0|1,0,0]=3 1718 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,1,1,0,0,0|1,0,0]=3 1719 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,1,1,0,0,0|1,0,0]=3 1720 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,1,1,0,0,0|1,0,0]=3 1721 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,1,1,0,0,0|1,0,0]=3 1722 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,1,1,0,0,0|1,0,0]=3 1723 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,1,1,0,0,0|1,0,0]=3 1724 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,1,1,0,0,0|1,0,0]=3 1725 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,1,1,0,0,0|0,0,0]=2 1726 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,1,1,0,0,0|1,0,0]=3 1727 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,1,1,0,0,0|1,0,0]=3 1728 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,1,1,0,0,0|1,0,0]=3 1729 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,1,1,0,0,0|1,0,0]=3 1730 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,1,1,0,0,0|1,0,0]=3 1731 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,1,1,0,0,0|1,0,0]=3 1732 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,1,0,0,0|1,0,0]=3 1733 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,1,1,0,0,0|1,0,0]=3 1734 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,1,1,0,0,0|1,0,0]=3 1735 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,1,1,0,0,0|1,0,0]=3 1736 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,1,1,0,0,0|1,0,0]=3 1737 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [0,1,1,0,0,0|2,0,0]=4 1738 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [0,1,1,0,0,0|2,0,0]=4 1739 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [0,1,1,0,0,0|2,0,0]=4 1740 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [0,1,1,0,0,0|2,0,0]=4 1741 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [0,1,1,0,0,0|2,0,0]=4 1742 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [0,1,1,0,0,0|2,0,0]=4 1743 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [0,1,1,0,0,0|2,0,0]=4 1744 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [0,1,1,0,0,0|2,0,0]=4 1745 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,1,1,0,0,0|1,0,0]=3 1746 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,1,1,0,0,0|1,0,0]=3 1747 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,1,1,0,0,0|2,0,0]=4 1748 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,1,1,0,0,0|2,0,0]=4 1749 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,1,1,0,0,0|2,0,0]=4 1750 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,1,1,0,0,0|2,0,0]=4 1751 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [0,1,1,0,0,0|2,0,0]=4 1752 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [0,1,1,0,0,0|2,0,0]=4 1753 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [0,1,1,0,0,0|2,0,0]=4 1754 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,1,1,0,0,0|2,0,0]=4 1755 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,1,1,0,0,0|2,0,0]=4 1756 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,1,1,0,0,0|2,0,0]=4 1757 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,1,1,0,0,0|2,0,0]=4 1758 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,1,1,0,0,0|2,0,0]=4 1759 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [0,1,1,0,0,0|2,0,0]=4 1760 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [0,1,1,0,0,0|2,0,0]=4 1761 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [0,1,1,0,0,0|2,0,0]=4 1762 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [0,1,1,0,0,0|2,0,0]=4 1763 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [0,1,1,0,0,0|2,0,0]=4 1764 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [0,1,1,0,0,0|2,0,0]=4 1765 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [0,1,1,0,0,0|2,0,0]=4 1766 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [0,1,1,0,0,0|2,0,0]=4 1767 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [0,1,1,0,0,0|2,0,0]=4 1768 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [0,1,1,0,0,0|2,0,0]=4 1769 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [0,1,1,0,0,0|2,0,0]=4 1770 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [0,1,1,0,0,0|2,0,0]=4 1771 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [0,1,1,0,0,0|2,0,0]=4 1772 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [0,1,1,0,0,0|2,0,0]=4 1773 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [0,1,1,0,0,0|2,0,0]=4 1774 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [0,1,1,0,0,0|2,0,0]=4 1775 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,1,1,0,0,0|2,0,0]=4 1776 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [0,1,1,0,0,0|2,0,0]=4 1777 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [0,1,1,0,0,0|2,0,0]=4 1778 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [0,1,1,0,0,0|2,0,0]=4 1779 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [0,1,1,0,0,0|2,0,0]=4 1780 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,1,1,0,0,0|2,0,0]=4 1781 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,1,1,0,0,0|2,0,0]=4 1782 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,1,1,0,0,0|2,0,0]=4 1783 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,1,1,0,0,0|2,0,0]=4 1784 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,1,1,0,0,0|2,0,0]=4 1785 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,1,1,0,0,0|2,0,0]=4 1786 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,1,1,0,0,0|2,0,0]=4 1787 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,1,1,0,0,0|2,0,0]=4 1788 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,1,1,0,0,0|2,0,0]=4 1789 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,1,1,0,0,0|2,0,0]=4 1790 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,1,1,0,0,0|2,0,0]=4 1791 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [0,1,1,0,0,0|2,0,0]=4 1792 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,1,1,0,0,0|2,0,0]=4 1793 B7R0.11 CCCS(=O)(=O)NC 270084a_100102657272_100000211391 [0,1,1,0,0,0|2,0,0]=4 1794 B7R0.11 CCCS(=O)(=O)NC 274078a_100102657272_100000211391 [0,1,1,0,0,0|2,0,0]=4 1795 B7R0.11 CCCS(=O)(=O)NC 40a_100102657272_100000054278 [0,1,1,0,0,0|2,0,0]=4 1796 B7R0.11 CCNS(=O)(=O)CC 270084a_100015525214_100000211323 [0,1,1,0,0,0|2,0,0]=4 1797 B7R0.11 CCNS(=O)(=O)CC 274078a_100015525214_100000211323 [0,1,1,0,0,0|2,0,0]=4 1798 B7R0.11 CCNS(=O)(=O)CC 40a_100015525214_100000053943 [0,1,1,0,0,0|2,0,0]=4 1799 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [0,1,1,0,0,0|1,0,1]=4 1800 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [0,1,1,0,0,0|1,0,1]=4 1801 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [0,1,1,0,0,0|1,0,1]=4 1802 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [0,1,1,0,0,0|1,0,1]=4 1803 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [0,1,1,0,0,0|0,0,2]=4 1804 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [0,1,1,0,0,0|0,0,2]=4 1805 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [0,1,1,0,0,0|0,0,2]=4 1806 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [0,1,1,0,0,0|0,0,2]=4 1807 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [0,1,1,0,0,0|0,1,1]=4 1808 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [0,1,1,0,0,0|0,1,1]=4 1809 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [0,1,1,0,0,0|0,1,1]=4 1810 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [0,1,1,0,0,0|0,1,1]=4 1811 B7R0.12 CCCN(CC)CC 2230a_100000226822_100000210202 [0,1,1,0,0,0|2,0,0]=4 1812 B7R0.12 CCCN(CC)CC 2230a_100000724800_100000210303 [0,1,1,0,0,0|2,0,0]=4 1813 B7R0.12 CCCN(CC)CC 269956a_100000042499_100000210207 [0,1,1,0,0,0|2,0,0]=4 1814 B7R0.12 CCCN(CC)CC 269982a_100000226822_100000204670 [0,1,1,0,0,0|2,0,0]=4 1815 B7R0.12 CCCN(CC)CC 269982a_100000724800_100000210303 [0,1,1,0,0,0|2,0,0]=4 1816 B7R0.12 CCCN(CC)CF 269982a_100000226822_100015361967 [0,1,1,0,0,0|2,0,0]=4 1817 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [0,1,1,0,0,0|0,0,1]=3 1818 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [0,1,1,0,0,0|0,0,1]=3 1819 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [0,1,1,0,0,0|0,0,1]=3 1820 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [0,1,1,0,0,0|0,0,2]=4 1821 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [0,1,1,0,0,0|0,0,2]=4 1822 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [0,1,1,0,0,0|0,0,2]=4 1823 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [0,1,1,0,0,0|0,0,2]=4 1824 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [0,1,1,0,0,0|0,0,2]=4 1825 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [0,1,1,0,0,0|0,0,2]=4 1826 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [0,1,1,0,0,0|0,0,2]=4 1827 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [0,1,1,0,0,0|1,0,1]=4 1828 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,1,1,0,0,0|1,0,0]=3 1829 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,1,1,0,0,0|1,0,0]=3 1830 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,1,1,0,0,0|1,0,0]=3 1831 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [0,1,1,0,0,0|2,0,0]=4 1832 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,1,1,0,0,0|1,0,0]=3 1833 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,1,1,0,0,0|1,0,0]=3 1834 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [0,1,1,0,0,0|2,0,0]=4 1835 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [0,1,1,0,0,0|2,0,0]=4 1836 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [0,1,1,0,0,0|2,0,0]=4 1837 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [0,1,1,0,0,0|2,0,0]=4 1838 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [0,1,1,0,0,0|2,0,0]=4 1839 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [0,1,1,0,0,0|2,0,0]=4 1840 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,1,1,0,0,0|1,0,0]=3 1841 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,1,1,0,0,0|1,0,0]=3 1842 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [0,1,1,0,0,0|2,0,0]=4 1843 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [0,1,1,0,0,0|2,0,0]=4 1844 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [0,1,1,0,0,0|2,0,0]=4 1845 B7R0.4 C=C(C)COCSC 34a_100000210245_100011218213 [0,1,1,0,0,0|2,0,0]=4 1846 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,1,1,0,0,0|1,0,0]=3 1847 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,1,1,0,0,0|1,0,0]=3 1848 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [0,1,1,0,0,0|2,0,0]=4 1849 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [0,1,1,0,0,0|2,0,0]=4 1850 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [0,1,1,0,0,0|2,0,0]=4 1851 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [0,1,1,0,0,0|2,0,0]=4 1852 B7R0.4 C=C(C)CSCOC 62a_100000748629_100000766300 [0,1,1,0,0,0|2,0,0]=4 1853 B7R0.4 C=C(C)CSCOC 62a_100000766300_100000211660 [0,1,1,0,0,0|2,0,0]=4 1854 B7R0.4 C=C(C)CSCSC 62a_100000748629_100011218213 [0,1,1,0,0,0|2,0,0]=4 1855 B7R0.4 C=C(C)CSCSC 62a_100011218213_100000211660 [0,1,1,0,0,0|2,0,0]=4 1856 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [0,1,1,0,0,0|1,0,1]=4 1857 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [0,1,1,0,0,0|1,0,1]=4 1858 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,1,1,0,0,0|1,0,1]=4 1859 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,1,1,0,0,0|1,0,1]=4 1860 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,1,1,0,0,0|0,0,1]=3 1861 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,1,1,0,0,0|0,0,1]=3 1862 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,1,1,0,0,0|0,0,1]=3 1863 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [0,1,1,0,0,0|0,0,2]=4 1864 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [0,1,1,0,0,0|0,0,2]=4 1865 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [0,1,1,0,0,0|0,0,2]=4 1866 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [0,1,1,0,0,0|0,0,2]=4 1867 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [0,1,1,0,0,0|0,0,2]=4 1868 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [0,1,1,0,0,0|0,0,2]=4 1869 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [0,1,1,0,0,0|0,0,2]=4 1870 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,1,1,0,0,0|0,0,2]=4 1871 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [0,1,1,0,0,0|0,0,2]=4 1872 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [0,1,1,0,0,0|0,0,2]=4 1873 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [0,1,1,0,0,0|0,0,2]=4 1874 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [0,1,1,0,0,0|1,0,1]=4 1875 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [0,1,1,0,0,0|1,0,1]=4 1876 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [0,1,1,0,0,0|0,0,2]=4 1877 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [0,1,1,0,0,0|0,0,1]=3 1878 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [0,1,1,0,0,0|0,0,1]=3 1879 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,1,1,0,0,0|0,0,0]=2 1880 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,1,1,0,0,0|0,0,0]=2 1881 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,1,1,0,0,0|0,0,0]=2 1882 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,1,1,0,0,0|0,0,0]=2 1883 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,1,1,0,0,0|0,0,0]=2 1884 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,1,1,0,0,0|0,0,0]=2 1885 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,1,1,0,0,0|0,0,0]=2 1886 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [0,1,1,0,0,0|2,0,0]=4 1887 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,1,1,0,0,0|1,0,0]=3 1888 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,1,1,0,0,0|1,0,0]=3 1889 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,1,1,0,0,0|1,0,0]=3 1890 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,1,1,0,0,0|1,0,0]=3 1891 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,1,1,0,0,0|1,0,1]=4 1892 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,1,1,0,0,0|1,0,0]=3 1893 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,1,1,0,0,0|1,0,0]=3 1894 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,1,1,0,0,0|1,0,0]=3 1895 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [0,1,1,0,0,0|1,0,1]=4 1896 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [0,1,1,0,0,0|1,0,1]=4 1897 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [0,1,1,0,0,0|1,0,1]=4 1898 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [0,1,1,0,0,0|1,0,1]=4 1899 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [0,1,1,0,0,0|1,0,1]=4 1900 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,1,1,0,0,0|1,0,0]=3 1901 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,1,1,0,0,0|1,0,0]=3 1902 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,1,1,0,0,0|1,0,0]=3 1903 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,1,1,0,0,0|1,0,0]=3 1904 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,1,1,0,0,0|1,0,0]=3 1905 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,1,1,0,0,0|1,0,0]=3 1906 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,1,1,0,0,0|1,0,0]=3 1907 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,1,1,0,0,0|1,0,0]=3 1908 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,1,1,0,0,0|1,0,0]=3 1909 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,1,1,0,0,0|1,0,0]=3 1910 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [0,1,1,0,0,0|2,0,0]=4 1911 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,1,1,0,0,0|1,0,0]=3 1912 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,1,1,0,0,0|1,0,0]=3 1913 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [0,1,1,0,0,0|2,0,0]=4 1914 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [0,1,1,0,0,0|2,0,0]=4 1915 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [0,1,1,0,0,0|1,0,1]=4 1916 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [0,1,1,0,0,0|1,0,1]=4 1917 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [0,1,1,0,0,0|1,0,1]=4 1918 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [0,1,1,0,0,0|1,0,1]=4 1919 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [0,1,1,0,0,0|1,0,1]=4 1920 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [0,1,1,0,0,0|1,0,1]=4 1921 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,1,1,0,0,0|0,0,2]=4 1922 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,1,1,0,0,0|0,0,2]=4 1923 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,1,1,0,0,0|0,0,1]=3 1924 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,1,1,0,0,0|0,0,1]=3 1925 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,1,1,0,0,0|0,0,1]=3 1926 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [0,1,1,0,0,0|0,0,1]=3 1927 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [0,1,1,0,0,0|1,0,1]=4 1928 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [0,1,1,0,0,0|0,0,1]=3 1929 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [0,1,1,0,0,0|0,0,1]=3 1930 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,1,1,0,0,0|0,0,1]=3 1931 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,1,1,0,0,0|0,0,1]=3 1932 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,1,1,0,0,0|0,0,0]=2 1933 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,1,1,0,0,0|0,0,0]=2 1934 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,1,1,0,0,0|0,0,0]=2 1935 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [0,1,1,0,0,0|2,0,0]=4 1936 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [0,1,1,0,0,0|2,0,0]=4 1937 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [0,1,1,0,0,0|2,0,0]=4 1938 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [0,1,1,0,0,0|2,0,0]=4 1939 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [0,1,1,0,0,0|2,0,0]=4 1940 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [0,1,1,0,0,0|2,0,0]=4 1941 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,1,1,0,0,0|0,0,0]=2 1942 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,1,1,0,0,0|0,0,0]=2 1943 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,1,1,0,0,0|0,0,0]=2 1944 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,1,1,0,0,0|0,0,0]=2 1945 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [0,1,1,0,0,0|1,0,1]=4 1946 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [0,1,1,0,0,0|1,0,1]=4 1947 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [0,1,1,0,0,0|1,0,1]=4 1948 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [0,1,1,0,0,0|1,0,1]=4 1949 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [0,1,1,0,0,0|1,0,1]=4 1950 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [0,1,1,0,0,0|1,0,1]=4 1951 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [0,1,1,0,0,0|1,0,1]=4 1952 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [0,1,1,0,0,0|1,0,1]=4 1953 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [0,1,1,0,0,0|1,0,1]=4 1954 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,1,1,0,0,0|1,0,0]=3 1955 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,1,1,0,0,0|1,0,0]=3 1956 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [0,1,1,0,0,0|1,0,1]=4 1957 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [0,1,1,0,0,0|1,0,1]=4 1958 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [0,1,1,0,0,0|1,0,1]=4 1959 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,1,1,0,0,0|0,0,2]=4 1960 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,1,1,0,0,0|0,0,2]=4 1961 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,1,1,0,0,0|1,0,0]=3 1962 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,1,1,0,0,0|0,0,0]=2 1963 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,1,1,0,0,0|0,0,0]=2 1964 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,1,1,0,0,0|1,0,0]=3 1965 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,1,1,0,0,0|0,0,0]=2 1966 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,1,1,0,0,0|1,0,0]=3 1967 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [0,1,1,0,0,0|1,0,1]=4 1968 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [0,1,1,0,0,0|1,0,1]=4 1969 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [0,1,1,0,0,0|1,0,1]=4 1970 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [0,1,1,0,0,0|1,0,1]=4 1971 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [0,1,1,0,0,0|0,0,2]=4 1972 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [0,1,1,0,0,0|1,0,1]=4 1973 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [0,1,1,0,0,0|1,0,1]=4 1974 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [0,1,1,0,0,0|0,0,2]=4 1975 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [0,1,1,0,0,0|2,0,0]=4 1976 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,1,1,0,0,0|0,0,0]=2 1977 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,1,1,0,0,0|1,0,0]=3 1978 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,1,1,0,0,0|1,0,0]=3 1979 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,1,1,0,0,0|0,0,0]=2 1980 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,1,1,0,0,0|1,0,0]=3 1981 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,1,1,0,0,0|1,0,0]=3 1982 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [0,1,1,0,0,0|1,0,1]=4 1983 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [0,1,1,0,0,0|1,0,1]=4 1984 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [0,1,1,0,0,0|0,0,2]=4 1985 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [0,1,1,0,0,0|0,0,2]=4 1986 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [0,1,1,0,0,0|0,0,2]=4 1987 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [0,1,1,0,0,0|0,0,2]=4 1988 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [0,1,1,0,0,0|2,0,0]=4 1989 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [0,1,1,0,0,0|1,0,1]=4 1990 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [0,1,1,0,0,0|1,0,1]=4 1991 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,1,1,0,0,0|1,0,0]=3 1992 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [0,1,1,0,0,0|1,0,1]=4 1993 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [0,1,1,0,0,0|1,0,1]=4 1994 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [0,1,1,0,0,0|0,0,2]=4 1995 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [0,1,1,0,0,0|0,0,2]=4 1996 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,1,1,0,0,0|2,0,0]=4 1997 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,1,1,0,0,0|0,0,2]=4 1998 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,1,1,0,0,0|0,0,2]=4 1999 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [0,1,1,0,0,0|1,0,1]=4 2000 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [0,1,1,0,0,0|1,0,1]=4 2001 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,1,1,0,0,0|0,0,0]=2 2002 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,1,1,0,0,0|0,0,0]=2 2003 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,1,1,0,0,0|0,0,0]=2 2004 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,1,1,0,0,0|0,0,0]=2 2005 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,1,1,0,0,0|1,0,0]=3 2006 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,1,1,0,0,0|1,0,0]=3 2007 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,1,1,0,0,0|1,0,0]=3 2008 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,1,1,0,0,0|0,0,0]=2 2009 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [0,1,1,0,0,0|1,0,1]=4 2010 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [0,1,1,0,0,0|1,0,1]=4 2011 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [0,1,1,0,0,0|1,0,1]=4 2012 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [0,1,1,0,0,0|1,0,1]=4 2013 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,1,1,0,0,0|0,0,2]=4 2014 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [0,1,1,0,0,0|2,0,0]=4 2015 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [0,1,1,0,0,0|2,0,0]=4 2016 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [0,1,1,0,0,0|1,0,1]=4 2017 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [0,1,1,0,0,0|1,0,0]=3 2018 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [0,1,1,0,0,0|1,0,1]=4 2019 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [0,1,1,0,0,0|1,0,1]=4 2020 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,1,1,0,0,0|0,0,0]=2 2021 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,1,1,0,0,0|0,0,0]=2 2022 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,1,1,0,0,0|0,0,0]=2 2023 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,1,1,0,0,0|0,0,0]=2 2024 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,1,1,0,0,0|1,0,0]=3 2025 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,1,1,0,0,0|1,0,0]=3 2026 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,1,1,0,0,0|0,0,0]=2 2027 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [0,1,1,0,0,0|1,0,1]=4 2028 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [0,1,1,0,0,0|1,0,1]=4 2029 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [0,1,1,0,0,0|0,0,2]=4 2030 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [0,1,1,0,0,0|0,0,2]=4 2031 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [0,1,1,0,0,0|2,0,0]=4 2032 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [0,1,1,0,0,0|2,0,0]=4 2033 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [0,1,1,0,0,0|2,0,0]=4 2034 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,1,1,0,0,0|1,0,0]=3 2035 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,1,1,0,0,0|1,0,0]=3 2036 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [0,1,1,0,0,0|2,0,0]=4 2037 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [0,1,1,0,0,0|2,0,0]=4 2038 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [0,1,1,0,0,0|2,0,0]=4 2039 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [0,1,1,0,0,0|2,0,0]=4 2040 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [0,1,1,0,0,0|2,0,0]=4 2041 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [0,1,1,0,0,0|2,0,0]=4 2042 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [0,1,1,0,0,0|2,0,0]=4 2043 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [0,1,1,0,0,0|2,0,0]=4 2044 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [0,1,1,0,0,0|2,0,0]=4 2045 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [0,1,1,0,0,0|1,0,1]=4 2046 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [0,1,1,0,0,0|1,0,1]=4 2047 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [0,1,1,0,0,0|1,0,1]=4 2048 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,1,1,0,0,0|0,0,0]=2 2049 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,1,1,0,0,0|0,0,0]=2 2050 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,1,1,0,0,0|1,0,0]=3 2051 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,1,1,0,0,0|1,0,0]=3 2052 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,1,1,0,0,0|1,0,0]=3 2053 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [0,1,1,0,0,0|1,0,1]=4 2054 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [0,1,1,0,0,0|1,0,1]=4 2055 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [0,1,1,0,0,0|1,0,1]=4 2056 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [0,1,1,0,0,0|1,0,1]=4 2057 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [0,1,1,0,0,0|1,0,1]=4 2058 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,1,1,0,0,0|0,0,2]=4 2059 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,1,1,0,0,0|0,0,2]=4 2060 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,1,1,0,0,0|0,0,2]=4 2061 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [0,1,1,0,0,0|2,0,0]=4 2062 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [0,1,1,0,0,0|1,0,0]=3 2063 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,1,1,0,0,0|1,0,0]=3 2064 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,1,1,0,0,0|1,0,0]=3 2065 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,1,1,0,0,0|1,0,0]=3 2066 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [0,1,1,0,0,0|2,0,0]=4 2067 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [0,1,1,0,0,0|2,0,0]=4 2068 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [0,1,1,0,0,0|2,0,0]=4 2069 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [0,1,1,0,0,0|1,0,0]=3 2070 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [0,1,1,0,0,0|1,0,0]=3 2071 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,1,1,0,0,0|2,0,0]=4 2072 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,1,1,0,0,0|2,0,0]=4 2073 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,1,1,0,0,0|0,0,2]=4 2074 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,1,1,0,0,0|0,0,2]=4 2075 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [0,1,1,0,0,0|1,0,1]=4 2076 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,1,1,0,0,0|0,0,0]=2 2077 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,1,1,0,0,0|0,0,0]=2 2078 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,1,1,0,0,0|0,0,0]=2 2079 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,1,1,0,0,0|0,0,0]=2 2080 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,1,1,0,0,0|0,0,0]=2 2081 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,1,1,0,0,0|1,0,0]=3 2082 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,1,1,0,0,0|0,0,0]=2 2083 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [0,1,1,0,0,0|1,0,1]=4 2084 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [0,1,1,0,0,0|1,0,1]=4 2085 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [0,1,1,0,0,0|1,0,1]=4 2086 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,1,1,0,0,0|0,0,2]=4 2087 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [0,1,1,0,0,0|2,0,0]=4 2088 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [0,1,1,0,0,0|2,0,0]=4 2089 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [0,1,1,0,0,0|2,0,0]=4 2090 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [0,1,1,0,0,0|2,0,0]=4 2091 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [0,1,1,0,0,0|2,0,0]=4 2092 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [0,1,1,0,0,0|2,0,0]=4 2093 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [0,1,1,0,0,0|2,0,0]=4 2094 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,1,1,0,0,0|1,0,0]=3 2095 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,1,1,0,0,0|1,0,0]=3 2096 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,1,1,0,0,0|1,0,0]=3 2097 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,1,1,0,0,0|1,0,0]=3 2098 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,1,1,0,0,0|2,0,0]=4 2099 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,1,1,0,0,0|1,0,0]=3 2100 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,1,1,0,0,0|2,0,0]=4 2101 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,1,1,0,0,0|2,0,0]=4 2102 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,1,1,0,0,0|2,0,0]=4 2103 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,1,1,0,0,0|2,0,0]=4 2104 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,1,1,0,0,0|2,0,0]=4 2105 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,1,1,0,0,0|2,0,0]=4 2106 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,1,1,0,0,0|2,0,0]=4 2107 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,1,1,0,0,0|2,0,0]=4 2108 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [0,1,1,0,0,0|1,0,0]=3 2109 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [0,1,1,0,0,0|1,0,1]=4 2110 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [0,1,1,0,0,0|1,0,1]=4 2111 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,1,1,0,0,0|0,0,0]=2 2112 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,1,1,0,0,0|0,0,0]=2 2113 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,1,1,0,0,0|0,0,0]=2 2114 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,1,1,0,0,0|1,0,0]=3 2115 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,1,1,0,0,0|1,0,0]=3 2116 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,1,1,0,0,0|0,0,0]=2 2117 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [0,1,1,0,0,0|1,0,1]=4 2118 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [0,1,1,0,0,0|1,0,1]=4 2119 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,1,1,0,0,0|0,0,2]=4 2120 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,1,1,0,0,0|0,0,2]=4 2121 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [0,1,1,0,0,0|2,0,0]=4 2122 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,1,1,0,0,0|1,0,0]=3 2123 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,1,1,0,0,0|1,0,0]=3 2124 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,1,1,0,0,0|1,0,0]=3 2125 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,1,1,0,0,0|1,0,0]=3 2126 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,1,1,0,0,0|1,0,0]=3 2127 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,1,1,0,0,0|1,0,0]=3 2128 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [0,1,1,0,0,0|2,0,0]=4 2129 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [0,1,1,0,0,0|2,0,0]=4 2130 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,1,1,0,0,0|1,0,0]=3 2131 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,1,1,0,0,0|1,0,0]=3 2132 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,1,1,0,0,0|2,0,0]=4 2133 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,1,1,0,0,0|2,0,0]=4 2134 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,1,1,0,0,0|2,0,0]=4 2135 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,1,1,0,0,0|2,0,0]=4 2136 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,1,1,0,0,0|1,0,0]=3 2137 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,1,1,0,0,0|2,0,0]=4 2138 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,1,1,0,0,0|2,0,0]=4 2139 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,1,1,0,0,0|2,0,0]=4 2140 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,1,1,0,0,0|2,0,0]=4 2141 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,1,1,0,0,0|2,0,0]=4 2142 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,1,1,0,0,0|2,0,0]=4 2143 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,1,1,0,0,0|2,0,0]=4 2144 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,1,1,0,0,0|2,0,0]=4 2145 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,1,1,0,0,0|2,0,0]=4 2146 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,1,1,0,0,0|2,0,0]=4 2147 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,1,1,0,0,0|2,0,0]=4 2148 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,1,1,0,0,0|2,0,0]=4 2149 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,1,1,0,0,0|2,0,0]=4 2150 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,1,1,0,0,0|2,0,0]=4 2151 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,1,1,0,0,0|2,0,0]=4 2152 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,1,1,0,0,0|2,0,0]=4 2153 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,1,1,0,0,0|2,0,0]=4 2154 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,1,1,0,0,0|2,0,0]=4 2155 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,1,1,0,0,0|2,0,0]=4 2156 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [0,1,1,0,0,0|2,0,0]=4 2157 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,1,1,0,0,0|2,0,0]=4 2158 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,1,1,0,0,0|2,0,0]=4 2159 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,1,1,0,0,0|2,0,0]=4 2160 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,1,1,0,0,0|2,0,0]=4 2161 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [0,1,1,0,0,0|2,0,0]=4 2162 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [0,1,1,0,0,0|2,0,0]=4 2163 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [0,1,1,0,0,0|2,0,0]=4 2164 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,1,1,0,0,0|2,0,0]=4 2165 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,1,1,0,0,0|2,0,0]=4 2166 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [0,1,1,0,0,0|0,0,1]=3 2167 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,1,1,0,0,0|0,0,0]=2 2168 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [0,1,1,0,0,0|2,0,0]=4 2169 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,1,1,0,0,0|1,0,0]=3 2170 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [0,1,1,0,0,0|1,0,1]=4 2171 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,1,1,0,0,0|1,0,0]=3 2172 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [0,1,1,0,0,0|2,0,0]=4 2173 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [0,1,1,0,0,0|2,0,0]=4 2174 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,1,1,0,0,0|2,0,0]=4 2175 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,1,1,0,0,0|2,0,0]=4 2176 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,1,1,0,0,0|1,0,0]=3 2177 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,1,1,0,0,0|1,0,0]=3 2178 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [0,1,1,0,0,0|2,0,0]=4 2179 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [0,1,1,0,0,0|2,0,0]=4 2180 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,1,1,0,0,0|2,0,0]=4 2181 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,1,1,0,0,0|2,0,0]=4 2182 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,1,1,0,0,0|0,0,1]=3 2183 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,1,1,0,0,0|0,0,1]=3 2184 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,1,1,0,0,0|0,0,1]=3 2185 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [0,1,1,0,0,0|2,0,0]=4 2186 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [0,1,1,0,0,0|2,0,0]=4 2187 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,1,1,0,0,0|1,0,1]=4 2188 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,1,1,0,0,0|1,0,1]=4 2189 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,1,1,0,0,0|1,0,1]=4 2190 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,1,1,0,0,0|1,0,1]=4 2191 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,1,1,0,0,0|2,0,0]=4 2192 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,1,1,0,0,0|2,0,0]=4 2193 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,1,1,0,0,0|2,0,0]=4 2194 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,1,1,0,0,0|2,0,0]=4 2195 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,1,1,0,0,0|2,0,0]=4 2196 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,1,1,0,0,0|2,0,0]=4 2197 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,1,1,0,0,0|0,0,2]=4 2198 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,1,1,0,0,0|0,0,2]=4 2199 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,1,1,0,0,0|0,0,2]=4 2200 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,1,1,0,0,0|0,0,2]=4 2201 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,1,1,0,0,0|1,0,1]=4 2202 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,1,1,0,0,0|0,0,0]=2 2203 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,1,1,0,0,0|0,0,0]=2 2204 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,1,1,0,0,0|0,0,0]=2 2205 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,1,1,0,0,0|1,0,0]=3 2206 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [0,1,1,0,0,0|2,0,0]=4 2207 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,1,1,0,0,0|1,0,0]=3 2208 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,1,1,0,0,0|1,0,1]=4 2209 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,1,1,0,0,0|1,0,1]=4 2210 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,1,1,0,0,0|1,0,0]=3 2211 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,1,1,0,0,0|1,0,0]=3 2212 B7R0.6 CC(=O)COC(F)F 1458a_200000719455_200000210301 [0,1,1,0,0,0|2,0,0]=4 2213 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,1,1,0,0,0|1,0,1]=4 2214 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,1,1,0,0,0|1,0,0]=3 2215 B7R0.6 CC(=O)CSC(F)F 1458a_114828291038_200000210301 [0,1,1,0,0,0|2,0,0]=4 2216 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,1,1,0,0,0|1,0,1]=4 2217 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,1,1,0,0,0|1,0,0]=3 2218 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,1,1,0,0,0|1,0,0]=3 2219 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,1,1,0,0,0|1,0,0]=3 2220 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,1,1,0,0,0|1,0,0]=3 2221 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,1,1,0,0,0|1,0,0]=3 2222 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,1,1,0,0,0|1,0,0]=3 2223 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,1,1,0,0,0|1,0,0]=3 2224 B7R0.6 CC(=O)NCC(F)F 11a_100000765723_100015343762 [0,1,1,0,0,0|2,0,0]=4 2225 B7R0.6 CC(=O)NCC(F)F 1626a_100000765723_100015343762 [0,1,1,0,0,0|2,0,0]=4 2226 B7R0.6 CC(=O)NCC(F)F 240690a_100000765723_100015343762 [0,1,1,0,0,0|2,0,0]=4 2227 B7R0.6 CC(=O)NCC(F)F 527a_100000765723_100103153847 [0,1,1,0,0,0|2,0,0]=4 2228 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,1,1,0,0,0|2,0,0]=4 2229 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,1,1,0,0,0|1,0,1]=4 2230 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,1,1,0,0,0|2,0,0]=4 2231 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,1,1,0,0,0|1,0,1]=4 2232 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,1,1,0,0,0|0,0,2]=4 2233 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,1,1,0,0,0|0,0,0]=2 2234 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [0,1,1,0,0,0|2,0,0]=4 2235 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [0,1,1,0,0,0|2,0,0]=4 2236 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [0,1,1,0,0,0|2,0,0]=4 2237 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [0,1,1,0,0,0|2,0,0]=4 2238 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [0,1,1,0,0,0|2,0,0]=4 2239 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [0,1,1,0,0,0|2,0,0]=4 2240 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,1,1,0,0,0|2,0,0]=4 2241 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,1,1,0,0,0|2,0,0]=4 2242 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,1,1,0,0,0|2,0,0]=4 2243 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,1,1,0,0,0|2,0,0]=4 2244 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,1,1,0,0,0|2,0,0]=4 2245 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,1,1,0,0,0|2,0,0]=4 2246 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,1,1,0,0,0|1,0,0]=3 2247 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,1,1,0,0,0|2,0,0]=4 2248 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,1,1,0,0,0|2,0,0]=4 2249 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,1,1,0,0,0|2,0,0]=4 2250 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,1,1,0,0,0|1,0,0]=3 2251 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,1,1,0,0,0|2,0,0]=4 2252 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,1,1,0,0,0|2,0,0]=4 2253 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [0,1,1,0,0,0|2,0,0]=4 2254 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [0,1,1,0,0,0|2,0,0]=4 2255 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,1,1,0,0,0|2,0,0]=4 2256 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,1,1,0,0,0|2,0,0]=4 2257 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,1,1,0,0,0|2,0,0]=4 2258 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,1,1,0,0,0|2,0,0]=4 2259 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,1,1,0,0,0|1,0,0]=3 2260 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,1,1,0,0,0|1,0,1]=4 2261 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [0,1,1,0,0,0|2,0,0]=4 2262 B7R0.6 [13CH3]C(=O)COC(F)F 1458a_200000719455_200025704644 [0,1,1,0,0,0|2,0,0]=4 2263 B7R0.6 [13CH3]C(=O)CSC(F)F 1458a_114828291038_200025704644 [0,1,1,0,0,0|2,0,0]=4 2264 B7R0.8 CCCNS(=O)(=O)C 40a_100020643023_100000738038 [0,1,1,0,0,0|2,0,0]=4 2265 B7R0.8 CNCCS(=O)(=O)C 2230a_100000740961_200000210301 [0,1,1,0,0,0|2,0,0]=4 2266 B7R0.8 CNCCS(=O)(=O)C 2230a_106832991635_100000731031 [0,1,1,0,0,0|2,0,0]=4 2267 B7R0.8 CNCCS(=O)(=O)C 34a_100000740961_200000210301 [0,1,1,0,0,0|2,0,0]=4 2268 B7R0.8 CNCCS(=O)(=O)C 34a_100102657272_100000731031 [0,1,1,0,0,0|2,0,0]=4 2269 B7R0.8 CNCCS(=O)(=O)C 7a_106832991635_100000230027 [0,1,1,0,0,0|2,0,0]=4 2270 B7R0.8 COCCS(=O)(=O)C 34a_100000211924_200000210301 [0,1,1,0,0,0|2,0,0]=4 2271 B7R0.8 COCCS(=O)(=O)C 34a_100138415774_100000731031 [0,1,1,0,0,0|2,0,0]=4 2272 B7R0.8 COCCS(=O)(=O)C 7a_100000211924_200000210301 [0,1,1,0,0,0|2,0,0]=4 2273 B7R0.8 CS(=O)(=O)CCN[13CH3] 2230a_100000740961_200025704644 [0,1,1,0,0,0|2,0,0]=4 2274 B7R0.8 CS(=O)(=O)CCN[13CH3] 34a_100000740961_200025704644 [0,1,1,0,0,0|2,0,0]=4 2275 B7R0.8 CS(=O)(=O)CCO[13CH3] 34a_100000211924_200025704644 [0,1,1,0,0,0|2,0,0]=4 2276 B7R0.8 CS(=O)(=O)CCO[13CH3] 7a_100000211924_200025704644 [0,1,1,0,0,0|2,0,0]=4 2277 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_100000731031_200025704644 [0,1,1,0,0,0|2,0,0]=4 2278 B7R0.8 CS(=O)(=O)CCS[13CH3] 62a_200025704644_100000230027 [0,1,1,0,0,0|2,0,0]=4 2279 B7R0.8 CSCCS(=O)(=O)C 62a_100000731031_200000210301 [0,1,1,0,0,0|2,0,0]=4 2280 B7R0.8 CSCCS(=O)(=O)C 62a_200000210301_100000230027 [0,1,1,0,0,0|2,0,0]=4 2281 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [0,1,1,0,0,0|1,0,1]=4 2282 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [0,1,1,0,0,0|1,0,1]=4 2283 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [0,1,1,0,0,0|1,0,1]=4 2284 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [0,1,1,0,0,0|1,0,1]=4 2285 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [0,1,1,0,0,0|1,0,1]=4 2286 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [0,1,1,0,0,0|1,0,1]=4 2287 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [0,1,1,0,0,0|1,0,1]=4 2288 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [0,1,1,0,0,0|1,0,1]=4 2289 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [0,1,1,0,0,0|1,0,1]=4 2290 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [0,1,1,0,0,0|1,0,1]=4 2291 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [0,1,1,0,0,0|1,0,1]=4 2292 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [0,1,1,0,0,0|1,0,1]=4 2293 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [0,1,1,0,0,0|1,0,1]=4 2294 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [0,1,1,0,0,0|1,0,1]=4 2295 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [0,1,1,0,0,0|1,0,1]=4 2296 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [0,1,1,0,0,0|1,0,1]=4 2297 B7R0.1 C#CCCCNCC 2230a_100015525214_100000731252 [0,1,1,0,0,0|1,0,1]=4 2298 B7R0.1 C#CCCCNCC 34a_100000718082_100000210202 [0,1,1,0,0,0|1,0,1]=4 2299 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [0,1,1,0,0,0|1,0,1]=4 2300 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [0,1,1,0,0,0|1,0,1]=4 2301 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [0,1,1,0,0,0|1,0,1]=4 2302 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [0,1,1,0,0,0|1,0,1]=4 2303 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [0,1,1,0,0,0|1,0,1]=4 2304 B7R0.1 C#CCCNCC=O 34a_100000755551_200009817547 [0,1,1,0,0,0|0,0,2]=4 2305 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [0,1,1,0,0,0|1,0,1]=4 2306 B7R0.1 C#CCCOCC=O 34a_100011215631_200009817547 [0,1,1,0,0,0|0,0,2]=4 2307 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [0,1,1,0,0,0|1,0,1]=4 2308 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [0,1,1,0,0,0|1,0,1]=4 2309 B7R0.1 C#CCCSCC=O 62a_100000688953_200015260668 [0,1,1,0,0,0|0,0,2]=4 2310 B7R0.1 C#CCCSCC=O 62a_200015260668_100000688953 [0,1,1,0,0,0|0,0,2]=4 2311 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [0,1,1,0,0,0|1,0,1]=4 2312 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [0,1,1,0,0,0|1,0,1]=4 2313 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [0,1,1,0,0,0|1,0,1]=4 2314 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [0,1,1,0,0,0|1,0,1]=4 2315 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [0,1,1,0,0,0|1,0,1]=4 2316 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [0,1,1,0,0,0|1,0,1]=4 2317 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [0,1,1,0,0,0|1,0,1]=4 2318 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [0,1,1,0,0,0|1,0,1]=4 2319 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [0,1,1,0,0,0|1,0,1]=4 2320 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [0,1,1,0,0,0|1,0,1]=4 2321 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [0,1,1,0,0,0|0,0,2]=4 2322 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [0,1,1,0,0,0|1,0,1]=4 2323 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [0,1,1,0,0,0|1,0,1]=4 2324 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [0,1,1,0,0,0|0,0,2]=4 2325 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [0,1,1,0,0,0|0,0,2]=4 2326 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [0,1,1,0,0,0|1,0,1]=4 2327 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [0,1,1,0,0,0|1,0,1]=4 2328 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [0,1,1,0,0,0|1,0,0]=3 2329 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [0,1,1,0,0,0|1,0,0]=3 2330 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [0,1,1,0,0,0|1,0,0]=3 2331 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [0,1,1,0,0,0|1,0,0]=3 2332 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [0,1,1,0,0,0|1,0,0]=3 2333 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [0,1,1,0,0,0|1,0,0]=3 2334 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [0,1,1,0,0,0|1,0,0]=3 2335 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [0,1,1,0,0,0|1,0,0]=3 2336 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [0,1,1,0,0,0|1,0,0]=3 2337 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [0,1,1,0,0,0|1,0,0]=3 2338 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [0,1,1,0,0,0|1,0,0]=3 2339 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [0,1,1,0,0,0|1,0,0]=3 2340 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [0,1,1,0,0,0|1,0,0]=3 2341 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [0,1,1,0,0,0|1,0,0]=3 2342 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [0,1,1,0,0,0|1,0,0]=3 2343 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [0,1,1,0,0,0|1,0,0]=3 2344 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [0,1,1,0,0,0|1,0,0]=3 2345 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [0,1,1,0,0,0|1,0,0]=3 2346 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [0,1,1,0,0,0|1,0,0]=3 2347 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [0,1,1,0,0,0|2,0,0]=4 2348 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [0,1,1,0,0,0|1,0,0]=3 2349 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [0,1,1,0,0,0|1,0,0]=3 2350 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [0,1,1,0,0,0|1,0,0]=3 2351 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [0,1,1,0,0,0|2,0,0]=4 2352 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [0,1,1,0,0,0|2,0,0]=4 2353 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [0,1,1,0,0,0|1,0,0]=3 2354 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [0,1,1,0,0,0|1,0,0]=3 2355 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [0,1,1,0,0,0|2,0,0]=4 2356 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [0,1,1,0,0,0|2,0,0]=4 2357 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [0,1,1,0,0,0|0,0,2]=4 2358 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [0,1,1,0,0,0|1,0,0]=3 2359 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [0,1,1,0,0,0|2,0,0]=4 2360 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [0,1,1,0,0,0|2,0,0]=4 2361 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [0,1,1,0,0,0|2,0,0]=4 2362 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [0,1,1,0,0,0|2,0,0]=4 2363 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [0,1,1,0,0,0|2,0,0]=4 2364 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [0,1,1,0,0,0|2,0,0]=4 2365 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [0,1,1,0,0,0|2,0,0]=4 2366 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [0,1,1,0,0,0|0,0,2]=4 2367 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [0,1,1,0,0,0|2,0,0]=4 2368 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,1,1,0,0,0|1,0,0]=3 2369 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,1,1,0,0,0|1,0,0]=3 2370 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [0,1,1,0,0,0|2,0,0]=4 2371 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [0,1,1,0,0,0|2,0,0]=4 2372 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [0,1,1,0,0,0|2,0,0]=4 2373 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [0,1,1,0,0,0|2,0,0]=4 2374 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [0,1,1,0,0,0|0,0,2]=4 2375 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [0,1,1,0,0,0|0,0,2]=4 2376 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,1,1,0,0,0|1,0,0]=3 2377 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,1,1,0,0,0|1,0,0]=3 2378 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [0,1,1,0,0,0|2,0,0]=4 2379 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [0,1,1,0,0,0|2,0,0]=4 2380 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [0,1,1,0,0,0|2,0,0]=4 2381 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [0,1,1,0,0,0|2,0,0]=4 2382 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [0,1,1,0,0,0|2,0,0]=4 2383 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [0,1,1,0,0,0|2,0,0]=4 2384 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [0,1,1,0,0,0|2,0,0]=4 2385 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [0,1,1,0,0,0|2,0,0]=4 2386 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [0,1,1,0,0,0|1,0,0]=3 2387 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [0,1,1,0,0,0|1,0,0]=3 2388 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [0,1,1,0,0,0|1,0,0]=3 2389 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [0,1,1,0,0,0|2,0,0]=4 2390 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [0,1,1,0,0,0|2,0,0]=4 2391 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [0,1,1,0,0,0|2,0,0]=4 2392 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [0,1,1,0,0,0|2,0,0]=4 2393 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [0,1,1,0,0,0|2,0,0]=4 2394 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [0,1,1,0,0,0|2,0,0]=4 2395 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [0,1,1,0,0,0|2,0,0]=4 2396 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [0,1,1,0,0,0|2,0,0]=4 2397 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [0,1,1,0,0,0|2,0,0]=4 2398 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [0,1,1,0,0,0|1,0,0]=3 2399 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [0,1,1,0,0,0|1,0,0]=3 2400 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [0,1,1,0,0,0|1,0,0]=3 2401 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [0,1,1,0,0,0|2,0,0]=4 2402 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [0,1,1,0,0,0|2,0,0]=4 2403 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [0,1,1,0,0,0|2,0,0]=4 2404 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [0,1,1,0,0,0|2,0,0]=4 2405 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [0,1,1,0,0,0|2,0,0]=4 2406 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [0,1,1,0,0,0|2,0,0]=4 2407 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [0,1,1,0,0,0|2,0,0]=4 2408 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [0,1,1,0,0,0|2,0,0]=4 2409 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [0,1,1,0,0,0|2,0,0]=4 2410 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [0,1,1,0,0,0|2,0,0]=4 2411 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [0,1,1,0,0,0|2,0,0]=4 2412 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [0,1,1,0,0,0|2,0,0]=4 2413 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [0,1,1,0,0,0|2,0,0]=4 2414 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [0,1,1,0,0,0|2,0,0]=4 2415 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [0,1,1,0,0,0|1,0,0]=3 2416 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [0,1,1,0,0,0|1,0,0]=3 2417 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [0,1,1,0,0,0|2,0,0]=4 2418 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [0,1,1,0,0,0|2,0,0]=4 2419 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [0,1,1,0,0,0|2,0,0]=4 2420 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [0,1,1,0,0,0|2,0,0]=4 2421 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [0,1,1,0,0,0|2,0,0]=4 2422 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [0,1,1,0,0,0|2,0,0]=4 2423 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [0,1,1,0,0,0|2,0,0]=4 2424 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [0,1,1,0,0,0|2,0,0]=4 2425 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [0,1,1,0,0,0|2,0,0]=4 2426 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [0,1,1,0,0,0|2,0,0]=4 2427 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [0,1,1,0,0,0|2,0,0]=4 2428 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [0,1,1,0,0,0|2,0,0]=4 2429 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [0,1,1,0,0,0|2,0,0]=4 2430 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [0,1,1,0,0,0|2,0,0]=4 2431 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [0,1,1,0,0,0|2,0,0]=4 2432 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [0,1,1,0,0,0|2,0,0]=4 2433 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [0,1,1,0,0,0|2,0,0]=4 2434 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [0,1,1,0,0,0|2,0,0]=4 2435 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [0,1,1,0,0,0|2,0,0]=4 2436 B7R0.1 CC#CCNCC=O 2230a_100000685387_200015260668 [0,1,1,0,0,0|0,0,2]=4 2437 B7R0.1 CC#CCNCC=O 34a_100000685387_200009817547 [0,1,1,0,0,0|0,0,2]=4 2438 B7R0.1 CC#CCOCC=O 34a_100000761923_200009817547 [0,1,1,0,0,0|0,0,2]=4 2439 B7R0.1 CC#CCSCC=O 62a_100000748600_200015260668 [0,1,1,0,0,0|0,0,2]=4 2440 B7R0.1 CC#CCSCC=O 62a_200015260668_100000748600 [0,1,1,0,0,0|0,0,2]=4 2441 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [0,1,1,0,0,0|1,0,1]=4 2442 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [0,1,1,0,0,0|1,0,1]=4 2443 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [0,1,1,0,0,0|1,0,1]=4 2444 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [0,1,1,0,0,0|0,0,2]=4 2445 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [0,1,1,0,0,0|0,0,2]=4 2446 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [0,1,1,0,0,0|1,0,1]=4 2447 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [0,1,1,0,0,0|1,0,1]=4 2448 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [0,1,1,0,0,0|2,0,0]=4 2449 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [0,1,1,0,0,0|1,0,1]=4 2450 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [0,1,1,0,0,0|1,0,1]=4 2451 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [0,1,1,0,0,0|1,0,1]=4 2452 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [0,1,1,0,0,0|1,0,1]=4 2453 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [0,1,1,0,0,0|1,0,1]=4 2454 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [0,1,1,0,0,0|0,0,2]=4 2455 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [0,1,1,0,0,0|0,0,2]=4 2456 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [0,1,1,0,0,0|0,0,2]=4 2457 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [0,1,1,0,0,0|0,0,2]=4 2458 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [0,1,1,0,0,0|0,0,2]=4 2459 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [0,1,1,0,0,0|0,1,1]=4 2460 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [0,1,1,0,0,0|0,1,1]=4 2461 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [0,1,1,0,0,0|0,1,1]=4 2462 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [0,1,1,0,0,0|0,1,1]=4 2463 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [0,1,1,0,0,0|1,0,1]=4 2464 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [0,1,1,0,0,0|1,0,1]=4 2465 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [0,1,1,0,0,0|1,0,1]=4 2466 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [0,1,1,0,0,0|1,0,1]=4 2467 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [0,1,1,0,0,0|1,0,1]=4 2468 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [0,1,1,0,0,0|1,0,1]=4 2469 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [0,1,1,0,0,0|1,0,1]=4 2470 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [0,1,1,0,0,0|1,0,1]=4 2471 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [0,1,1,0,0,0|1,0,1]=4 2472 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [0,1,1,0,0,0|1,0,1]=4 2473 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [0,1,1,0,0,0|1,0,1]=4 2474 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [0,1,1,0,0,0|1,0,1]=4 2475 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [0,1,1,0,0,0|1,0,1]=4 2476 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [0,1,1,0,0,0|0,0,0]=2 2477 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [0,1,1,0,0,0|0,0,0]=2 2478 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [0,1,1,0,0,0|1,0,1]=4 2479 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [0,1,1,0,0,0|1,0,1]=4 2480 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [0,1,1,0,0,0|1,0,1]=4 2481 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [0,1,1,0,0,0|1,0,1]=4 2482 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [0,1,1,0,0,0|1,0,1]=4 2483 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [0,1,1,0,0,0|0,0,2]=4 2484 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [0,1,1,0,0,0|0,0,2]=4 2485 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [0,1,1,0,0,0|0,0,2]=4 2486 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [0,1,1,0,0,0|0,0,2]=4 2487 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [0,1,1,0,0,0|2,0,0]=4 2488 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [0,1,1,0,0,0|2,0,0]=4 2489 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [0,1,1,0,0,0|1,0,1]=4 2490 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [0,1,1,0,0,0|0,0,0]=2 2491 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [0,1,1,0,0,0|0,0,0]=2 2492 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [0,1,1,0,0,0|1,0,1]=4 2493 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [0,1,1,0,0,0|1,0,1]=4 2494 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [0,1,1,0,0,0|1,0,1]=4 2495 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [0,1,1,0,0,0|1,0,1]=4 2496 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [0,1,1,0,0,0|1,0,1]=4 2497 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [0,1,1,0,0,0|1,0,1]=4 2498 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [0,1,1,0,0,0|1,0,1]=4 2499 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [0,1,1,0,0,0|0,0,2]=4 2500 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [0,1,1,0,0,0|0,0,2]=4 2501 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [0,1,1,0,0,0|2,0,0]=4 2502 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [0,1,1,0,0,0|2,0,0]=4 2503 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [0,1,1,0,0,0|2,0,0]=4 2504 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [0,1,1,0,0,0|2,0,0]=4 2505 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [0,1,1,0,0,0|2,0,0]=4 2506 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [0,1,1,0,0,0|2,0,0]=4 2507 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [0,1,1,0,0,0|2,0,0]=4 2508 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [0,1,1,0,0,0|2,0,0]=4 2509 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [0,1,1,0,0,0|1,0,1]=4 2510 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [0,1,1,0,0,0|1,0,1]=4 2511 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [0,1,1,0,0,0|0,0,0]=2 2512 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [0,1,1,0,0,0|0,0,0]=2 2513 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [0,1,1,0,0,0|1,0,1]=4 2514 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [0,1,1,0,0,0|1,0,1]=4 2515 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [0,1,1,0,0,0|1,0,1]=4 2516 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [0,1,1,0,0,0|1,0,1]=4 2517 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [0,1,1,0,0,0|0,0,2]=4 2518 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [0,1,1,0,0,0|0,0,2]=4 2519 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [0,1,1,0,0,0|2,0,0]=4 2520 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [0,1,1,0,0,0|2,0,0]=4 2521 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [0,1,1,0,0,0|2,0,0]=4 2522 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [0,1,1,0,0,0|2,0,0]=4 2523 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [0,1,1,0,0,0|1,0,1]=4 2524 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [0,1,1,0,0,0|1,0,1]=4 2525 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [0,1,1,0,0,0|2,0,0]=4 2526 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [0,1,1,0,0,0|2,0,0]=4 2527 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [0,1,1,0,0,0|1,0,1]=4 2528 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [0,1,1,0,0,0|1,0,1]=4 2529 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [0,1,1,0,0,0|1,0,1]=4 2530 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [0,1,1,0,0,0|1,0,1]=4 2531 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [0,1,1,0,0,0|1,0,1]=4 2532 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [0,1,1,0,0,0|0,0,2]=4 2533 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [0,1,1,0,0,0|2,0,0]=4 2534 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [0,1,1,0,0,0|2,0,0]=4 2535 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [0,1,1,0,0,0|2,0,0]=4 2536 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [0,1,1,0,0,0|2,0,0]=4 2537 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [0,1,1,0,0,0|2,0,0]=4 2538 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [0,1,1,0,0,0|2,0,0]=4 2539 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [0,1,1,0,0,0|2,0,0]=4 2540 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [0,1,1,0,0,0|2,0,0]=4 2541 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [0,1,1,0,0,0|2,0,0]=4 2542 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [0,1,1,0,0,0|2,0,0]=4 2543 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [0,1,1,0,0,0|2,0,0]=4 2544 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [0,1,1,0,0,0|2,0,0]=4 2545 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [0,1,1,0,0,0|2,0,0]=4 2546 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [0,1,1,0,0,0|2,0,0]=4 2547 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [0,1,1,0,0,0|2,0,0]=4 2548 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [0,1,1,0,0,0|2,0,0]=4 2549 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [0,1,1,0,0,0|2,0,0]=4 2550 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [0,1,1,0,0,0|2,0,0]=4 2551 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [0,1,1,0,0,0|2,0,0]=4 2552 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [0,1,1,0,0,0|2,0,0]=4 2553 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [0,1,1,0,0,0|2,0,0]=4 2554 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [0,1,1,0,0,0|2,0,0]=4 2555 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [0,1,1,0,0,0|1,0,1]=4 2556 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [0,1,1,0,0,0|1,0,1]=4 2557 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [0,1,1,0,0,0|1,0,1]=4 2558 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [0,1,1,0,0,0|1,0,1]=4 2559 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [0,1,1,0,0,0|0,0,2]=4 2560 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [0,1,1,0,0,0|0,0,2]=4 2561 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [0,1,1,0,0,0|2,0,0]=4 2562 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [0,1,1,0,0,0|2,0,0]=4 2563 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [0,1,1,0,0,0|2,0,0]=4 2564 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [0,1,1,0,0,0|2,0,0]=4 2565 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [0,1,1,0,0,0|2,0,0]=4 2566 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [0,1,1,0,0,0|2,0,0]=4 2567 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [0,1,1,0,0,0|2,0,0]=4 2568 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [0,1,1,0,0,0|2,0,0]=4 2569 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [0,1,1,0,0,0|2,0,0]=4 2570 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [0,1,1,0,0,0|2,0,0]=4 2571 B7R0.1 CCNCCCC#N 2230a_100015525214_100000687738 [0,1,1,0,0,0|1,0,1]=4 2572 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [0,1,1,0,0,0|0,0,0]=2 2573 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [0,1,1,0,0,0|1,0,1]=4 2574 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [0,1,1,0,0,0|0,0,2]=4 2575 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [0,1,1,0,0,0|0,0,2]=4 2576 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [0,1,1,0,0,0|0,0,2]=4 2577 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [0,1,1,0,0,0|2,0,0]=4 2578 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [0,1,1,0,0,0|2,0,0]=4 2579 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [0,1,1,0,0,0|2,0,0]=4 2580 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [0,1,1,0,0,0|1,0,1]=4 2581 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [0,1,1,0,0,0|1,0,1]=4 2582 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [0,1,1,0,0,0|1,0,1]=4 2583 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [0,1,1,0,0,0|1,0,1]=4 2584 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [0,1,1,0,0,0|1,0,1]=4 2585 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [0,1,1,0,0,0|1,0,1]=4 2586 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [0,1,1,0,0,0|1,0,1]=4 2587 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [0,1,1,0,0,0|1,0,1]=4 2588 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [0,1,1,0,0,0|0,0,2]=4 2589 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [0,1,1,0,0,0|2,0,0]=4 2590 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [0,1,1,0,0,0|2,0,0]=4 2591 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [0,1,1,0,0,0|2,0,0]=4 2592 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [0,1,1,0,0,0|2,0,0]=4 2593 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [0,1,1,0,0,0|2,0,0]=4 2594 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [0,1,1,0,0,0|2,0,0]=4 2595 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [0,1,1,0,0,0|2,0,0]=4 2596 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [0,1,1,0,0,0|2,0,0]=4 2597 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [0,1,1,0,0,0|2,0,0]=4 2598 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [0,1,1,0,0,0|2,0,0]=4 2599 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [0,1,1,0,0,0|2,0,0]=4 2600 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [0,1,1,0,0,0|2,0,0]=4 2601 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [0,1,1,0,0,0|2,0,0]=4 2602 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [0,1,1,0,0,0|2,0,0]=4 2603 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [0,1,1,0,0,0|2,0,0]=4 2604 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [0,1,1,0,0,0|2,0,0]=4 2605 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [0,1,1,0,0,0|2,0,0]=4 2606 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [0,1,1,0,0,0|2,0,0]=4 2607 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [0,1,1,0,0,0|2,0,0]=4 2608 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [0,1,1,0,0,0|2,0,0]=4 2609 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [0,1,1,0,0,0|2,0,0]=4 2610 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [0,1,1,0,0,0|1,0,0]=3 2611 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [0,1,1,0,0,0|1,0,0]=3 2612 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [0,1,1,0,0,0|1,0,1]=4 2613 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [0,1,1,0,0,0|1,0,1]=4 2614 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [0,1,1,0,0,0|0,0,0]=2 2615 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [0,1,1,0,0,0|0,0,0]=2 2616 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [0,1,1,0,0,0|1,0,1]=4 2617 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [0,1,1,0,0,0|1,0,1]=4 2618 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [0,1,1,0,0,0|0,0,2]=4 2619 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [0,1,1,0,0,0|0,0,2]=4 2620 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [0,1,1,0,0,0|2,0,0]=4 2621 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [0,1,1,0,0,0|2,0,0]=4 2622 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [0,1,1,0,0,0|2,0,0]=4 2623 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [0,1,1,0,0,0|2,0,0]=4 2624 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [0,1,1,0,0,0|2,0,0]=4 2625 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [0,1,1,0,0,0|2,0,0]=4 2626 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [0,1,1,0,0,0|1,0,1]=4 2627 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [0,1,1,0,0,0|1,0,1]=4 2628 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [0,1,1,0,0,0|0,0,0]=2 2629 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [0,1,1,0,0,0|0,0,0]=2 2630 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [0,1,1,0,0,0|1,0,1]=4 2631 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [0,1,1,0,0,0|1,0,1]=4 2632 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [0,1,1,0,0,0|1,0,1]=4 2633 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [0,1,1,0,0,0|0,0,2]=4 2634 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [0,1,1,0,0,0|0,0,2]=4 2635 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [0,1,1,0,0,0|0,0,2]=4 2636 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [0,1,1,0,0,0|0,0,2]=4 2637 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [0,1,1,0,0,0|0,0,2]=4 2638 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [0,1,1,0,0,0|2,0,0]=4 2639 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [0,1,1,0,0,0|2,0,0]=4 2640 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [0,1,1,0,0,0|2,0,0]=4 2641 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [0,1,1,0,0,0|1,0,1]=4 2642 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [0,1,1,0,0,0|1,0,1]=4 2643 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [0,1,1,0,0,0|1,0,1]=4 2644 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [0,1,1,0,0,0|1,0,1]=4 2645 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [0,1,1,0,0,0|1,0,1]=4 2646 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [0,1,1,0,0,0|1,0,1]=4 2647 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [0,1,1,0,0,0|1,0,1]=4 2648 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [0,1,1,0,0,0|1,0,1]=4 2649 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [0,1,1,0,0,0|0,0,2]=4 2650 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [0,1,1,0,0,0|2,0,0]=4 2651 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [0,1,1,0,0,0|2,0,0]=4 2652 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [0,1,1,0,0,0|2,0,0]=4 2653 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [0,1,1,0,0,0|2,0,0]=4 2654 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [0,1,1,0,0,0|2,0,0]=4 2655 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [0,1,1,0,0,0|2,0,0]=4 2656 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [0,1,1,0,0,0|2,0,0]=4 2657 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [0,1,1,0,0,0|2,0,0]=4 2658 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [0,1,1,0,0,0|2,0,0]=4 2659 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [0,1,1,0,0,0|1,0,0]=3 2660 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [0,1,1,0,0,0|1,0,0]=3 2661 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [0,1,1,0,0,0|1,0,0]=3 2662 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [0,1,1,0,0,0|1,0,0]=3 2663 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [0,1,1,0,0,0|1,0,1]=4 2664 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [0,1,1,0,0,0|1,0,1]=4 2665 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [0,1,1,0,0,0|0,0,0]=2 2666 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [0,1,1,0,0,0|0,0,0]=2 2667 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [0,1,1,0,0,0|1,0,1]=4 2668 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [0,1,1,0,0,0|1,0,1]=4 2669 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [0,1,1,0,0,0|0,0,2]=4 2670 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [0,1,1,0,0,0|0,0,2]=4 2671 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [0,1,1,0,0,0|2,0,0]=4 2672 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [0,1,1,0,0,0|2,0,0]=4 2673 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [0,1,1,0,0,0|1,0,0]=3 2674 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [0,1,1,0,0,0|1,0,0]=3 2675 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [0,1,1,0,0,0|1,0,0]=3 2676 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [0,1,1,0,0,0|1,0,0]=3 2677 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [0,1,1,0,0,0|1,0,0]=3 2678 B7R0.1 N#CCCSCC=O 62a_100011215226_200015260668 [0,1,1,0,0,0|1,0,1]=4 2679 B7R0.1 N#CCCSCC=O 62a_200015260668_100011215226 [0,1,1,0,0,0|1,0,1]=4 2680 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [0,1,1,0,0,0|1,0,0]=3 2681 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [0,1,1,0,0,0|2,0,0]=4 2682 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [0,1,1,0,0,0|1,0,0]=3 2683 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [0,1,1,0,0,0|1,0,0]=3 2684 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [0,1,1,0,0,0|1,0,0]=3 2685 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [0,1,1,0,0,0|1,0,0]=3 2686 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [0,1,1,0,0,0|1,0,0]=3 2687 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [0,1,1,0,0,0|1,0,0]=3 2688 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [0,1,1,0,0,0|1,0,0]=3 2689 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [0,1,1,0,0,0|1,0,0]=3 2690 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [0,1,1,0,0,0|1,0,0]=3 2691 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [0,1,1,0,0,0|1,0,0]=3 2692 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [0,1,1,0,0,0|1,0,0]=3 2693 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [0,1,1,0,0,0|0,0,2]=4 2694 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [0,1,1,0,0,0|0,0,2]=4 2695 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [0,1,1,0,0,0|1,0,1]=4 2696 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [0,1,1,0,0,0|1,0,1]=4 2697 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [0,1,1,0,0,0|1,0,1]=4 2698 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [0,1,1,0,0,0|1,0,1]=4 2699 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [0,1,1,0,0,0|1,0,1]=4 2700 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [0,1,1,0,0,0|1,0,1]=4 2701 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [0,1,1,0,0,0|1,0,1]=4 2702 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [0,1,1,0,0,0|1,0,1]=4 2703 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [0,1,1,0,0,0|1,0,1]=4 2704 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [0,1,1,0,0,0|0,0,0]=2 2705 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [0,1,1,0,0,0|0,0,0]=2 2706 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [0,1,1,0,0,0|1,0,1]=4 2707 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [0,1,1,0,0,0|1,0,1]=4 2708 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [0,1,1,0,0,0|0,0,2]=4 2709 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [0,1,1,0,0,0|0,0,2]=4 2710 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [0,1,0,0,1,0|2,0,0]=4 2711 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [0,1,0,0,1,0|2,0,0]=4 2712 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [0,1,0,0,1,0|1,0,1]=4 2713 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [0,1,0,0,1,0|1,0,1]=4 2714 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [0,1,0,0,1,0|1,0,1]=4 2715 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [0,1,0,0,1,0|1,0,1]=4 2716 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [0,1,0,0,1,0|1,0,1]=4 2717 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [0,1,0,0,1,0|1,0,1]=4 2718 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,1,0,0,1,0|0,0,2]=4 2719 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,1,0,0,1,0|0,0,2]=4 2720 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,1,0,0,1,0|0,0,2]=4 2721 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [0,1,0,0,1,0|0,1,1]=4 2722 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [0,1,0,0,1,0|0,1,1]=4 2723 B7R1.1 FCN1CCCC1 269982a_100000188435_100015361967 [0,1,0,0,1,0|2,0,0]=4 2724 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [0,1,0,0,1,0|1,0,1]=4 2725 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [0,1,0,0,1,0|1,0,1]=4 2726 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,1,0,0,1,0|0,0,2]=4 2727 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,1,0,0,1,0|0,0,2]=4 2728 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [0,1,0,0,1,0|0,1,1]=4 2729 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [0,1,0,0,1,0|0,1,1]=4 2730 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [0,1,0,0,1,0|2,0,0]=4 2731 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [0,1,0,0,1,0|2,0,0]=4 2732 B7R1.2 CN1CC[C@@H](C1)F 2230a_100015203821_200000210301 [0,1,0,0,1,0|2,0,0]=4 2733 B7R1.2 CN1CC[C@@H](C1)F 269982a_100015203821_200000210301 [0,1,0,0,1,0|2,0,0]=4 2734 B7R1.2 CN1CC[C@@H](C1)F 34a_100015203821_200000210301 [0,1,0,0,1,0|2,0,0]=4 2735 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [0,1,0,0,1,0|2,0,0]=4 2736 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,1,0,0,1,0|2,0,0]=4 2737 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,1,0,0,1,0|2,0,0]=4 2738 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,1,0,0,1,0|2,0,0]=4 2739 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,1,0,0,1,0|2,0,0]=4 2740 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,1,0,0,1,0|2,0,0]=4 2741 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,1,0,0,1,0|2,0,0]=4 2742 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [0,1,0,0,1,0|2,0,0]=4 2743 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [0,1,0,0,1,0|2,0,0]=4 2744 B7R1.2 [13CH3]N1CC[C@@H](C1)F 2230a_100015203821_200025704644 [0,1,0,0,1,0|2,0,0]=4 2745 B7R1.2 [13CH3]N1CC[C@@H](C1)F 269982a_100015203821_200025704644 [0,1,0,0,1,0|2,0,0]=4 2746 B7R1.2 [13CH3]N1CC[C@@H](C1)F 34a_100015203821_200025704644 [0,1,0,0,1,0|2,0,0]=4 2747 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [0,1,0,0,1,0|2,0,0]=4 2748 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,1,0,0,1,0|2,0,0]=4 2749 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,1,0,0,1,0|2,0,0]=4 2750 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,1,0,0,1,0|2,0,0]=4 2751 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,1,0,0,1,0|2,0,0]=4 2752 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,1,0,0,1,0|2,0,0]=4 2753 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,1,0,0,1,0|2,0,0]=4 2754 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,1,0,0,1,0|2,0,0]=4 2755 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,1,0,0,1,0|2,0,0]=4 2756 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,1,0,0,1,0|2,0,0]=4 2757 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,1,0,0,1,0|2,0,0]=4 2758 B9R1.48 CN1CCCCC(C1)O 2230a_100025706797_200000210301 [0,1,0,0,0,1|0,0,2]=4 2759 B9R1.48 CN1CCCCC(C1)O 269982a_100025706797_200000210301 [0,1,0,0,0,1|0,0,2]=4 2760 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,1,0,0,0,1|1,0,0]=3 2761 B9R1.48 CN1CCOC[C@@H](C1)O 2230a_100016073750_200000210301 [0,1,0,0,0,1|2,0,0]=4 2762 B9R1.48 CN1CCOC[C@@H](C1)O 269982a_100016073750_200000210301 [0,1,0,0,0,1|2,0,0]=4 2763 B9R1.48 [13CH3]N1CCCCC(C1)O 2230a_100025706797_200025704644 [0,1,0,0,0,1|0,0,2]=4 2764 B9R1.48 [13CH3]N1CCCCC(C1)O 269982a_100025706797_200025704644 [0,1,0,0,0,1|0,0,2]=4 2765 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,1,0,0,0,1|1,0,0]=3 2766 B9R1.48 [13CH3]N1CCOC[C@@H](C1)O 2230a_100016073750_200025704644 [0,1,0,0,0,1|2,0,0]=4 2767 B9R1.48 [13CH3]N1CCOC[C@@H](C1)O 269982a_100016073750_200025704644 [0,1,0,0,0,1|2,0,0]=4 2768 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [0,1,0,0,0,1|1,0,1]=4 2769 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [0,1,0,0,0,1|1,0,1]=4 2770 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [0,1,0,0,0,1|1,0,1]=4 2771 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [0,1,0,0,0,1|1,0,1]=4 2772 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [0,1,0,0,0,1|1,0,1]=4 2773 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [0,1,0,0,0,1|1,0,1]=4 2774 B9R1.49 CN1CCCC(CC1)O 2230a_100015186869_200000210301 [0,1,0,0,0,1|0,0,2]=4 2775 B9R1.49 CN1CCCC(CC1)O 269982a_100015186869_200000210301 [0,1,0,0,0,1|0,0,2]=4 2776 B9R1.49 CN1CCCN(CC1)C 2230a_100000211313_200000210301 [0,1,0,0,0,1|2,0,0]=4 2777 B9R1.49 CN1CCCN(CC1)C 269982a_100000211313_200000210301 [0,1,0,0,0,1|2,0,0]=4 2778 B9R1.49 CN1CCCN(CC1)[13CH3] 2230a_100000211313_200025704644 [0,1,0,0,0,1|2,0,0]=4 2779 B9R1.49 CN1CCCN(CC1)[13CH3] 269982a_100000211313_200025704644 [0,1,0,0,0,1|2,0,0]=4 2780 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,1,0,0,0,1|1,0,0]=3 2781 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,1,0,0,0,1|1,0,0]=3 2782 B9R1.49 [13CH3]N1CCCC(CC1)O 2230a_100015186869_200025704644 [0,1,0,0,0,1|0,0,2]=4 2783 B9R1.49 [13CH3]N1CCCC(CC1)O 269982a_100015186869_200025704644 [0,1,0,0,0,1|0,0,2]=4 2784 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,1,0,0,0,1|1,0,0]=3 2785 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,1,0,0,0,1|1,0,0]=3 2786 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [0,1,0,0,0,1|2,0,0]=4 2787 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [0,1,0,0,0,1|2,0,0]=4 2788 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [0,1,0,0,0,1|2,0,0]=4 2789 B9R1.89 CCN1CCCOCC1 2230a_100000685342_100000210202 [0,1,0,0,0,1|2,0,0]=4 2790 B9R1.89 CCN1CCCOCC1 269982a_100000685342_100000204670 [0,1,0,0,0,1|2,0,0]=4 2791 B9R1.89 CCN1CCCOCC1 34a_100000685342_100000210202 [0,1,0,0,0,1|2,0,0]=4 2792 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [0,1,0,0,0,1|1,0,1]=4 2793 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [0,1,0,0,0,1|1,0,1]=4 2794 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [0,1,0,0,0,1|1,0,1]=4 2795 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [0,1,0,0,0,1|1,0,1]=4 2796 B9R1.89 CNC1CCCNCC1 270004a_106832991635_100015187895 [0,1,0,0,0,1|1,0,1]=4 2797 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [0,1,0,0,0,1|0,0,2]=4 2798 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [0,1,0,0,0,1|0,0,2]=4 2799 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [0,1,0,0,0,1|0,0,2]=4 2800 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [0,1,0,0,0,1|0,1,1]=4 2801 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [0,1,0,0,0,1|0,1,1]=4 2802 B9R1.89 FCN1CCCCCC1 269982a_100000185865_100015361967 [0,1,0,0,0,1|2,0,0]=4 2803 B9R1.89 FCN1CCCCCC1 34a_100000185865_100015361967 [0,1,0,0,0,1|2,0,0]=4 2804 B9R1.89 FCN1CCCOCC1 269982a_100000685342_100015361967 [0,1,0,0,0,1|2,0,0]=4 2805 B9R1.89 FCN1CCCOCC1 34a_100000685342_100015361967 [0,1,0,0,0,1|2,0,0]=4 2806 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [0,1,0,0,0,1|1,0,1]=4 2807 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [0,1,0,0,0,1|1,0,1]=4 2808 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [0,1,0,0,0,1|0,0,2]=4 2809 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [0,1,0,0,0,1|0,0,2]=4 2810 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [0,1,0,0,0,1|0,1,1]=4 2811 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [0,1,0,0,0,1|0,1,1]=4 2812 B9R1.1 C#CC1CCN(CC1)C 2230a_100016991398_200000210301 [0,2,0,0,0,0|2,0,0]=4 2813 B9R1.1 C#CC1CCN(CC1)C 269982a_100016991398_200000210301 [0,2,0,0,0,0|2,0,0]=4 2814 B9R1.1 C#CC1CCN(CC1)C 34a_100016991398_200000210301 [0,2,0,0,0,0|2,0,0]=4 2815 B9R1.1 C#CC1CCN(CC1)[13CH3] 2230a_100016991398_200025704644 [0,2,0,0,0,0|2,0,0]=4 2816 B9R1.1 C#CC1CCN(CC1)[13CH3] 269982a_100016991398_200025704644 [0,2,0,0,0,0|2,0,0]=4 2817 B9R1.1 C#CC1CCN(CC1)[13CH3] 34a_100016991398_200025704644 [0,2,0,0,0,0|2,0,0]=4 2818 B9R1.1 C=C1CCC(CC1)NC 270004a_106832991635_100010272673 [0,2,0,0,0,0|1,0,0]=3 2819 B9R1.1 C=C1CCN(CC1)CC 2230a_100000752442_100000210202 [0,2,0,0,0,0|2,0,0]=4 2820 B9R1.1 C=C1CCN(CC1)CC 269982a_100000752442_100000204670 [0,2,0,0,0,0|2,0,0]=4 2821 B9R1.1 C=C1CCN(CC1)CC 34a_100000752442_100000210202 [0,2,0,0,0,0|2,0,0]=4 2822 B9R1.1 C=C1CCN(CC1)CF 269982a_100000752442_100015361967 [0,2,0,0,0,0|2,0,0]=4 2823 B9R1.1 C=C1CCN(CC1)CF 34a_100000752442_100015361967 [0,2,0,0,0,0|2,0,0]=4 2824 B9R1.1 CC1CCC(CC1)O[13CH3] 34a_100000210714_200025704644 [0,2,0,0,0,0|0,0,2]=4 2825 B9R1.1 CC1CCC(CC1)O[13CH3] 7a_100000210714_200025704644 [0,2,0,0,0,0|0,0,2]=4 2826 B9R1.1 CC1CCC(CC1)S[13CH3] 62a_200025704644_200011216234 [0,2,0,0,0,0|0,1,1]=4 2827 B9R1.1 CC1CCN(CC1)CF 269982a_100000188429_100015361967 [0,2,0,0,0,0|2,0,0]=4 2828 B9R1.1 CC1CCN(CC1)CF 34a_100000188429_100015361967 [0,2,0,0,0,0|2,0,0]=4 2829 B9R1.1 CCC1CCN(CC1)C 2230a_100000754474_200000210301 [0,2,0,0,0,0|2,0,0]=4 2830 B9R1.1 CCC1CCN(CC1)C 269982a_100000754474_200000210301 [0,2,0,0,0,0|2,0,0]=4 2831 B9R1.1 CCC1CCN(CC1)C 34a_100000754474_200000210301 [0,2,0,0,0,0|2,0,0]=4 2832 B9R1.1 CCC1CCN(CC1)[13CH3] 2230a_100000754474_200025704644 [0,2,0,0,0,0|2,0,0]=4 2833 B9R1.1 CCC1CCN(CC1)[13CH3] 269982a_100000754474_200025704644 [0,2,0,0,0,0|2,0,0]=4 2834 B9R1.1 CCC1CCN(CC1)[13CH3] 34a_100000754474_200025704644 [0,2,0,0,0,0|2,0,0]=4 2835 B9R1.1 CCN1CCC(CC1)C 2230a_100000188429_100000210202 [0,2,0,0,0,0|2,0,0]=4 2836 B9R1.1 CCN1CCC(CC1)C 269982a_100000188429_100000204670 [0,2,0,0,0,0|2,0,0]=4 2837 B9R1.1 CCN1CCC(CC1)C 34a_100000188429_100000210202 [0,2,0,0,0,0|2,0,0]=4 2838 B9R1.1 CCN1CCC(CC1)F 2230a_100015193889_100000210202 [0,2,0,0,0,0|2,0,0]=4 2839 B9R1.1 CCN1CCC(CC1)F 269982a_100015193889_100000204670 [0,2,0,0,0,0|2,0,0]=4 2840 B9R1.1 CCN1CCC(CC1)F 34a_100015193889_100000210202 [0,2,0,0,0,0|2,0,0]=4 2841 B9R1.1 CCN1CCC(CC1)O 2230a_100025773856_100000210202 [0,2,0,0,0,0|2,0,0]=4 2842 B9R1.1 CCN1CCC(CC1)O 269982a_100025773856_100000204670 [0,2,0,0,0,0|2,0,0]=4 2843 B9R1.1 CCN1CCS(=O)CC1 2230a_100000752083_100000210202 [0,2,0,0,0,0|2,0,0]=4 2844 B9R1.1 CCN1CCS(=O)CC1 269982a_100000752083_100000204670 [0,2,0,0,0,0|2,0,0]=4 2845 B9R1.1 CN1CCC(CC1)C#N 2230a_100000747632_200000210301 [0,2,0,0,0,0|2,0,0]=4 2846 B9R1.1 CN1CCC(CC1)CF 2230a_100015203933_200000210301 [0,2,0,0,0,0|2,0,0]=4 2847 B9R1.1 CN1CCC(CC1)CF 269982a_100015203933_200000210301 [0,2,0,0,0,0|2,0,0]=4 2848 B9R1.1 CN1CCC(CC1)CF 34a_100015203933_200000210301 [0,2,0,0,0,0|2,0,0]=4 2849 B9R1.1 CN1CCC(CC1)CO 2230a_100000738675_200000210301 [0,2,0,0,0,0|2,0,0]=4 2850 B9R1.1 CN1CCC(CC1)CO 269982a_100000738675_200000210301 [0,2,0,0,0,0|2,0,0]=4 2851 B9R1.1 CN1CCC(CC1)CO 34a_100000738675_200000210301 [0,2,0,0,0,0|2,0,0]=4 2852 B9R1.1 CN1CCC(CC1)S[13CH3] 62a_200025704644_100011215917 [0,2,0,0,0,0|2,0,0]=4 2853 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [0,2,0,0,0,0|1,0,0]=3 2854 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [0,2,0,0,0,0|1,0,0]=3 2855 B9R1.1 CNC1CCC(CC1)C 270004a_106832991635_100000185489 [0,2,0,0,0,0|1,0,1]=4 2856 B9R1.1 CNC1CCC(CC1)C 34a_100102657272_200011216234 [0,2,0,0,0,0|1,0,1]=4 2857 B9R1.1 CNC1CCC(CC1)O 270004a_106832991635_100000764474 [0,2,0,0,0,0|0,0,2]=4 2858 B9R1.1 CNC1CCN(CC1)C 270004a_106832991635_100000210137 [0,2,0,0,0,0|2,0,0]=4 2859 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_200000210301 [0,2,0,0,0,0|1,0,1]=4 2860 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_200000210301 [0,2,0,0,0,0|1,0,1]=4 2861 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,2,0,0,0,0|0,0,0]=2 2862 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,2,0,0,0,0|0,0,0]=2 2863 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,2,0,0,0,0|1,0,0]=3 2864 B9R1.1 COC1CCC(CC1)C 34a_100000210714_200000210301 [0,2,0,0,0,0|0,0,2]=4 2865 B9R1.1 COC1CCC(CC1)C 34a_100138415774_200011216234 [0,2,0,0,0,0|0,0,2]=4 2866 B9R1.1 COC1CCC(CC1)C 7a_100000210714_200000210301 [0,2,0,0,0,0|0,0,2]=4 2867 B9R1.1 COC1CCN(CC1)C 2230a_100000234800_200000210301 [0,2,0,0,0,0|2,0,0]=4 2868 B9R1.1 COC1CCN(CC1)C 269982a_100000234800_200000210301 [0,2,0,0,0,0|2,0,0]=4 2869 B9R1.1 COC1CCN(CC1)C 34a_100000234800_200000210301 [0,2,0,0,0,0|2,0,0]=4 2870 B9R1.1 COC1CCN(CC1)[13CH3] 2230a_100000234800_200025704644 [0,2,0,0,0,0|2,0,0]=4 2871 B9R1.1 COC1CCN(CC1)[13CH3] 269982a_100000234800_200025704644 [0,2,0,0,0,0|2,0,0]=4 2872 B9R1.1 COC1CCN(CC1)[13CH3] 34a_100000234800_200025704644 [0,2,0,0,0,0|2,0,0]=4 2873 B9R1.1 COC1CNC(=O)NC1 34a_100000080929_200000210301 [0,2,0,0,0,0|2,0,0]=4 2874 B9R1.1 CO[C@H]1CC[C@H](CC1)N 34a_100020628982_200000210301 [0,2,0,0,0,0|0,0,2]=4 2875 B9R1.1 CSC1CCC(CC1)C 62a_200000210301_200011216234 [0,2,0,0,0,0|0,1,1]=4 2876 B9R1.1 CSC1CCN(CC1)C 2230a_100015202541_200000210301 [0,2,0,0,0,0|2,0,0]=4 2877 B9R1.1 CSC1CCN(CC1)C 269982a_100015202541_200000210301 [0,2,0,0,0,0|2,0,0]=4 2878 B9R1.1 CSC1CCN(CC1)C 34a_100015202541_200000210301 [0,2,0,0,0,0|2,0,0]=4 2879 B9R1.1 CSC1CCN(CC1)C 62a_200000210301_100011215917 [0,2,0,0,0,0|2,0,0]=4 2880 B9R1.1 CSC1CCN(CC1)[13CH3] 2230a_100015202541_200025704644 [0,2,0,0,0,0|2,0,0]=4 2881 B9R1.1 CSC1CCN(CC1)[13CH3] 269982a_100015202541_200025704644 [0,2,0,0,0,0|2,0,0]=4 2882 B9R1.1 CSC1CCN(CC1)[13CH3] 34a_100015202541_200025704644 [0,2,0,0,0,0|2,0,0]=4 2883 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 2230a_100020625639_200025704644 [0,2,0,0,0,0|1,0,1]=4 2884 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 34a_100020625639_200025704644 [0,2,0,0,0,0|1,0,1]=4 2885 B9R1.1 FCN1CCC(CC1)F 269982a_100015193889_100015361967 [0,2,0,0,0,0|2,0,0]=4 2886 B9R1.1 FCN1CCC(CC1)F 34a_100015193889_100015361967 [0,2,0,0,0,0|2,0,0]=4 2887 B9R1.1 O=S1CCN(CC1)CF 269982a_100000752083_100015361967 [0,2,0,0,0,0|2,0,0]=4 2888 B9R1.1 OC1CCN(CC1)CF 269982a_100025773856_100015361967 [0,2,0,0,0,0|2,0,0]=4 2889 B9R1.1 [13CH3]N1CCC(CC1)C#N 2230a_100000747632_200025704644 [0,2,0,0,0,0|2,0,0]=4 2890 B9R1.1 [13CH3]N1CCC(CC1)CF 2230a_100015203933_200025704644 [0,2,0,0,0,0|2,0,0]=4 2891 B9R1.1 [13CH3]N1CCC(CC1)CF 269982a_100015203933_200025704644 [0,2,0,0,0,0|2,0,0]=4 2892 B9R1.1 [13CH3]N1CCC(CC1)CF 34a_100015203933_200025704644 [0,2,0,0,0,0|2,0,0]=4 2893 B9R1.1 [13CH3]N1CCC(CC1)CO 2230a_100000738675_200025704644 [0,2,0,0,0,0|2,0,0]=4 2894 B9R1.1 [13CH3]N1CCC(CC1)CO 269982a_100000738675_200025704644 [0,2,0,0,0,0|2,0,0]=4 2895 B9R1.1 [13CH3]N1CCC(CC1)CO 34a_100000738675_200025704644 [0,2,0,0,0,0|2,0,0]=4 2896 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [0,2,0,0,0,0|1,0,0]=3 2897 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [0,2,0,0,0,0|1,0,0]=3 2898 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,2,0,0,0,0|0,0,0]=2 2899 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,2,0,0,0,0|0,0,0]=2 2900 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,2,0,0,0,0|1,0,0]=3 2901 B9R1.1 [13CH3]OC1CNC(=O)NC1 34a_100000080929_200025704644 [0,2,0,0,0,0|2,0,0]=4 2902 B9R1.1 [13CH3]O[C@H]1CC[C@H](CC1)N 34a_100020628982_200025704644 [0,2,0,0,0,0|0,0,2]=4 2903 B9R1.2 C#CC1CCCN(C1)C 2230a_100015191679_200000210301 [0,2,0,0,0,0|2,0,0]=4 2904 B9R1.2 C#CC1CCCN(C1)C 269982a_100015191679_200000210301 [0,2,0,0,0,0|2,0,0]=4 2905 B9R1.2 C#CC1CCCN(C1)C 34a_100015191679_200000210301 [0,2,0,0,0,0|2,0,0]=4 2906 B9R1.2 C#CC1CCCN(C1)[13CH3] 2230a_100015191679_200025704644 [0,2,0,0,0,0|2,0,0]=4 2907 B9R1.2 C#CC1CCCN(C1)[13CH3] 269982a_100015191679_200025704644 [0,2,0,0,0,0|2,0,0]=4 2908 B9R1.2 C#CC1CCCN(C1)[13CH3] 34a_100015191679_200025704644 [0,2,0,0,0,0|2,0,0]=4 2909 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [0,2,0,0,0,0|1,0,1]=4 2910 B9R1.2 CC1CCCC(C1)N[13CH3] 2230a_100011194320_200025704644 [0,2,0,0,0,0|1,0,1]=4 2911 B9R1.2 CC1CCCC(C1)N[13CH3] 34a_100011194320_200025704644 [0,2,0,0,0,0|1,0,1]=4 2912 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [0,2,0,0,0,0|0,0,2]=4 2913 B9R1.2 CCN1CCCC(C1)F 2230a_100000697950_100000210202 [0,2,0,0,0,0|2,0,0]=4 2914 B9R1.2 CCN1CCCC(C1)F 269982a_100000697950_100000204670 [0,2,0,0,0,0|2,0,0]=4 2915 B9R1.2 CCN1CCCC(C1)F 34a_100000697950_100000210202 [0,2,0,0,0,0|2,0,0]=4 2916 B9R1.2 CCN1CCCC(C1)O 2230a_100000211013_100000210202 [0,2,0,0,0,0|2,0,0]=4 2917 B9R1.2 CCN1CCCC(C1)O 269982a_100000211013_100000204670 [0,2,0,0,0,0|2,0,0]=4 2918 B9R1.2 CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210202 [0,2,0,0,0,0|2,0,0]=4 2919 B9R1.2 CCN1CCC[C@@H](C1)C 269982a_100000717927_100000204670 [0,2,0,0,0,0|2,0,0]=4 2920 B9R1.2 CCN1CCC[C@@H](C1)C 34a_100000717927_100000210202 [0,2,0,0,0,0|2,0,0]=4 2921 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,2,0,0,0,0|2,0,0]=4 2922 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,2,0,0,0,0|2,0,0]=4 2923 B9R1.2 CN1CCCC(C1)C#N 2230a_100016989302_200000210301 [0,2,0,0,0,0|2,0,0]=4 2924 B9R1.2 CN1CCCC(C1)C#N 269982a_206835378768_200000210301 [0,2,0,0,0,0|2,0,0]=4 2925 B9R1.2 CN1CCCC(C1)CF 2230a_100016992999_200000210301 [0,2,0,0,0,0|2,0,0]=4 2926 B9R1.2 CN1CCCC(C1)CF 269982a_100016992999_200000210301 [0,2,0,0,0,0|2,0,0]=4 2927 B9R1.2 CN1CCCC(C1)CF 34a_100016992999_200000210301 [0,2,0,0,0,0|2,0,0]=4 2928 B9R1.2 CN1CCCC(C1)CO 2230a_100000211344_200000210301 [0,2,0,0,0,0|2,0,0]=4 2929 B9R1.2 CN1CCCC(C1)CO 269982a_100000211344_200000210301 [0,2,0,0,0,0|2,0,0]=4 2930 B9R1.2 CN1CCCC(C1)CO 34a_100000211344_200000210301 [0,2,0,0,0,0|2,0,0]=4 2931 B9R1.2 CNC1CCCC(C1)C 2230a_100011194320_200000210301 [0,2,0,0,0,0|1,0,1]=4 2932 B9R1.2 CNC1CCCC(C1)C 270004a_106832991635_100000183594 [0,2,0,0,0,0|1,0,1]=4 2933 B9R1.2 CNC1CCCC(C1)C 34a_100011194320_200000210301 [0,2,0,0,0,0|1,0,1]=4 2934 B9R1.2 CNC1CCCC(C1)O 2230a_100015190357_200000210301 [0,2,0,0,0,0|0,0,2]=4 2935 B9R1.2 CNC1CCCC(C1)O 270004a_106832991635_100012613340 [0,2,0,0,0,0|0,0,2]=4 2936 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,2,0,0,0,0|1,0,0]=3 2937 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,2,0,0,0,0|1,0,0]=3 2938 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [0,2,0,0,0,0|1,0,1]=4 2939 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,2,0,0,0,0|0,0,0]=2 2940 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [0,2,0,0,0,0|0,0,2]=4 2941 B9R1.2 COC1CCCN(C1)C 2230a_100000695604_200000210301 [0,2,0,0,0,0|2,0,0]=4 2942 B9R1.2 COC1CCCN(C1)C 269982a_100000695604_200000210301 [0,2,0,0,0,0|2,0,0]=4 2943 B9R1.2 COC1CCCN(C1)C 34a_100000695604_200000210301 [0,2,0,0,0,0|2,0,0]=4 2944 B9R1.2 COC1CCCN(C1)[13CH3] 2230a_100000695604_200025704644 [0,2,0,0,0,0|2,0,0]=4 2945 B9R1.2 COC1CCCN(C1)[13CH3] 269982a_100000695604_200025704644 [0,2,0,0,0,0|2,0,0]=4 2946 B9R1.2 COC1CCCN(C1)[13CH3] 34a_100000695604_200025704644 [0,2,0,0,0,0|2,0,0]=4 2947 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,2,0,0,0,0|1,0,0]=3 2948 B9R1.2 C[C@H]1CCCN(C1)CF 269982a_100000717927_100015361967 [0,2,0,0,0,0|2,0,0]=4 2949 B9R1.2 C[C@H]1CCCN(C1)CF 34a_100000717927_100015361967 [0,2,0,0,0,0|2,0,0]=4 2950 B9R1.2 FCN1CCCC(C1)F 269982a_100000697950_100015361967 [0,2,0,0,0,0|2,0,0]=4 2951 B9R1.2 FCN1CCCC(C1)F 34a_100000697950_100015361967 [0,2,0,0,0,0|2,0,0]=4 2952 B9R1.2 OC1CCCN(C1)CF 269982a_100000211013_100015361967 [0,2,0,0,0,0|2,0,0]=4 2953 B9R1.2 [13CH3]N1CCCC(C1)C#N 2230a_100016989302_200025704644 [0,2,0,0,0,0|2,0,0]=4 2954 B9R1.2 [13CH3]N1CCCC(C1)C#N 269982a_206835378768_200025704644 [0,2,0,0,0,0|2,0,0]=4 2955 B9R1.2 [13CH3]N1CCCC(C1)CF 2230a_100016992999_200025704644 [0,2,0,0,0,0|2,0,0]=4 2956 B9R1.2 [13CH3]N1CCCC(C1)CF 269982a_100016992999_200025704644 [0,2,0,0,0,0|2,0,0]=4 2957 B9R1.2 [13CH3]N1CCCC(C1)CF 34a_100016992999_200025704644 [0,2,0,0,0,0|2,0,0]=4 2958 B9R1.2 [13CH3]N1CCCC(C1)CO 2230a_100000211344_200025704644 [0,2,0,0,0,0|2,0,0]=4 2959 B9R1.2 [13CH3]N1CCCC(C1)CO 269982a_100000211344_200025704644 [0,2,0,0,0,0|2,0,0]=4 2960 B9R1.2 [13CH3]N1CCCC(C1)CO 34a_100000211344_200025704644 [0,2,0,0,0,0|2,0,0]=4 2961 B9R1.2 [13CH3]NC1CCCC(C1)O 2230a_100015190357_200025704644 [0,2,0,0,0,0|0,0,2]=4 2962 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,2,0,0,0,0|1,0,0]=3 2963 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,2,0,0,0,0|1,0,0]=3 2964 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,2,0,0,0,0|0,0,0]=2 2965 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,2,0,0,0,0|1,0,0]=3 2966 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,2,0,0,0,0|0,0,1]=3 2967 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [0,2,0,0,0,0|1,0,1]=4 2968 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,2,0,0,0,0|1,0,1]=4 2969 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,2,0,0,0,0|0,0,1]=3 2970 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,2,0,0,0,0|0,0,1]=3 2971 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,2,0,0,0,0|1,0,1]=4 2972 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,2,0,0,0,0|1,0,1]=4 2973 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,2,0,0,0,0|1,0,1]=4 2974 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,2,0,0,0,0|1,0,1]=4 2975 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,2,0,0,0,0|1,0,1]=4 2976 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,2,0,0,0,0|1,0,1]=4 2977 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [0,2,0,0,0,0|2,0,0]=4 2978 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [0,2,0,0,0,0|2,0,0]=4 2979 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [0,2,0,0,0,0|2,0,0]=4 2980 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [0,2,0,0,0,0|2,0,0]=4 2981 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [0,2,0,0,0,0|2,0,0]=4 2982 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [0,2,0,0,0,0|2,0,0]=4 2983 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [0,2,0,0,0,0|2,0,0]=4 2984 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [0,2,0,0,0,0|2,0,0]=4 2985 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [0,2,0,0,0,0|2,0,0]=4 2986 B9R1.6 CN(C)C1CCCCC1 2230a_100000207522_200000210301 [0,2,0,0,0,0|1,0,1]=4 2987 B9R1.6 CN(C)C1CCCCC1 269982a_100000207522_200000210301 [0,2,0,0,0,0|1,0,1]=4 2988 B9R1.6 CN(C)C1CCCCC1 269982a_100102631434_100000210327 [0,2,0,0,0,0|1,0,1]=4 2989 B9R1.6 CN(C)C1CCCCC1 270004a_100102631434_100000210434 [0,2,0,0,0,0|1,0,1]=4 2990 B9R1.6 CN(C)C1CCCCC1 34a_100000207522_200000210301 [0,2,0,0,0,0|1,0,1]=4 2991 B9R1.6 CN([13CH3])C1CCCCC1 2230a_100000207522_200025704644 [0,2,0,0,0,0|1,0,1]=4 2992 B9R1.6 CN([13CH3])C1CCCCC1 269982a_100000207522_200025704644 [0,2,0,0,0,0|1,0,1]=4 2993 B9R1.6 CN([13CH3])C1CCCCC1 34a_100000207522_200025704644 [0,2,0,0,0,0|1,0,1]=4 2994 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,2,0,0,0,0|0,0,1]=3 2995 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [0,2,0,0,0,0|1,0,1]=4 2996 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,2,0,0,0,0|1,0,1]=4 2997 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,2,0,0,0,0|0,0,1]=3 2998 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,2,0,0,0,0|1,0,1]=4 2999 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,2,0,0,0,0|1,0,1]=4 3000 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,2,0,0,0,0|1,0,1]=4 3001 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,2,0,0,0,0|1,0,1]=4 3002 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [0,2,0,0,0,0|1,0,1]=4 3003 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [0,2,0,0,0,0|1,0,1]=4 3004 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [0,2,0,0,0,0|1,0,1]=4 3005 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [0,2,0,0,0,0|0,0,2]=4 3006 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [0,2,0,0,0,0|0,0,2]=4 3007 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [0,2,0,0,0,0|0,0,2]=4 3008 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [0,2,0,0,0,0|0,1,1]=4 3009 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [0,2,0,0,0,0|0,1,1]=4 3010 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [0,2,0,0,0,0|1,0,1]=4 3011 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [0,2,0,0,0,0|1,0,1]=4 3012 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [0,2,0,0,0,0|1,0,1]=4 3013 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [0,2,0,0,0,0|1,0,1]=4 3014 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [0,2,0,0,0,0|1,0,1]=4 3015 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [0,2,0,0,0,0|1,0,1]=4 3016 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [0,2,0,0,0,0|0,0,2]=4 3017 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [0,2,0,0,0,0|0,0,2]=4 3018 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [0,2,0,0,0,0|0,0,2]=4 3019 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [0,2,0,0,0,0|0,1,1]=4 3020 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [0,2,0,0,0,0|0,1,1]=4 3021 B9R1.8 FCNC1CCCCC1 34a_100000182618_100015361967 [0,2,0,0,0,0|1,0,1]=4 3022 B9R1.8 FCOC1CCCCC1 34a_100000210231_100015361967 [0,2,0,0,0,0|0,0,2]=4 3023 B9R1.8 FCOC1CCCCC1 7a_100000210231_100015361967 [0,2,0,0,0,0|0,0,2]=4 3024 B9R1.8 FCSC1CCCCC1 62a_100000210327_100015361967 [0,2,0,0,0,0|0,1,1]=4 3025 B9R1.8 FCSC1CCCCC1 62a_100015361967_100000210327 [0,2,0,0,0,0|0,1,1]=4 3026 B9R1.8 O=CCN1CCCOC1 2230a_100000131196_200015260668 [0,2,0,0,0,0|2,0,0]=4 3027 B9R1.8 O=CCN1CCCOC1 269982a_100000131196_200015260668 [0,2,0,0,0,0|2,0,0]=4 3028 B9R1.8 O=CCN1CCCOC1 34a_100000131196_200009817547 [0,2,0,0,0,0|2,0,0]=4 3029 B9R1.8 O=CCN1CCOCC1 2230a_100015191051_200015260668 [0,2,0,0,0,0|2,0,0]=4 3030 B9R1.8 O=CCN1CCOCC1 269982a_100015191051_200015260668 [0,2,0,0,0,0|2,0,0]=4 3031 B9R1.8 O=CCN1CCOCC1 34a_100015191051_200009817547 [0,2,0,0,0,0|2,0,0]=4 3032 B9R1.8 O=CCN1CCSCC1 2230a_100000737611_200015260668 [0,2,0,0,0,0|2,0,0]=4 3033 B9R1.8 O=CCN1CCSCC1 269982a_100000737611_200015260668 [0,2,0,0,0,0|2,0,0]=4 3034 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [0,2,0,0,0,0|1,0,1]=4 3035 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [0,2,0,0,0,0|1,0,1]=4 3036 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [0,2,0,0,0,0|0,0,2]=4 3037 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [0,2,0,0,0,0|0,0,2]=4 3038 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [0,2,0,0,0,0|0,1,1]=4 3039 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [0,2,0,0,0,0|0,1,1]=4 3040 B9R1.15 C#CC1CCCCN1C 2230a_200020621307_200000210301 [0,2,0,0,0,0|2,0,0]=4 3041 B9R1.15 C#CC1CCCCN1C 269982a_200020621307_200000210301 [0,2,0,0,0,0|2,0,0]=4 3042 B9R1.15 C#CC1CCCCN1C 34a_200020621307_200000210301 [0,2,0,0,0,0|2,0,0]=4 3043 B9R1.15 C#CC1CCCCN1[13CH3] 2230a_200020621307_200025704644 [0,2,0,0,0,0|2,0,0]=4 3044 B9R1.15 C#CC1CCCCN1[13CH3] 269982a_200020621307_200025704644 [0,2,0,0,0,0|2,0,0]=4 3045 B9R1.15 C#CC1CCCCN1[13CH3] 34a_200020621307_200025704644 [0,2,0,0,0,0|2,0,0]=4 3046 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [0,2,0,0,0,0|1,0,1]=4 3047 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [0,2,0,0,0,0|1,0,1]=4 3048 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [0,2,0,0,0,0|0,0,2]=4 3049 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [0,2,0,0,0,0|0,0,2]=4 3050 B9R1.15 CC1CCCCN1CF 269982a_100000211376_100015361967 [0,2,0,0,0,0|2,0,0]=4 3051 B9R1.15 CC1CCCCN1CF 34a_100000211376_100015361967 [0,2,0,0,0,0|2,0,0]=4 3052 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [0,2,0,0,0,0|2,0,0]=4 3053 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [0,2,0,0,0,0|2,0,0]=4 3054 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [0,2,0,0,0,0|2,0,0]=4 3055 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [0,2,0,0,0,0|2,0,0]=4 3056 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [0,2,0,0,0,0|2,0,0]=4 3057 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [0,2,0,0,0,0|2,0,0]=4 3058 B9R1.15 CCN1CCCCC1C 2230a_100000211376_100000210202 [0,2,0,0,0,0|2,0,0]=4 3059 B9R1.15 CCN1CCCCC1C 269982a_100000211376_100000204670 [0,2,0,0,0,0|2,0,0]=4 3060 B9R1.15 CCN1CCCCC1C 34a_100000211376_100000210202 [0,2,0,0,0,0|2,0,0]=4 3061 B9R1.15 CN1CCCCC1C#N 34a_100016989756_200000210301 [0,2,0,0,0,0|2,0,0]=4 3062 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [0,2,0,0,0,0|2,0,0]=4 3063 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [0,2,0,0,0,0|2,0,0]=4 3064 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [0,2,0,0,0,0|2,0,0]=4 3065 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,2,0,0,0,0|0,0,0]=2 3066 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,2,0,0,0,0|0,0,0]=2 3067 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [0,2,0,0,0,0|1,0,1]=4 3068 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [0,2,0,0,0,0|1,0,1]=4 3069 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [0,2,0,0,0,0|1,0,1]=4 3070 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [0,2,0,0,0,0|1,0,1]=4 3071 B9R1.15 CNC1CCCCC1F 34a_100102657272_100015423560 [0,2,0,0,0,0|1,0,1]=4 3072 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [0,2,0,0,0,0|0,0,2]=4 3073 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [0,2,0,0,0,0|1,0,0]=3 3074 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [0,2,0,0,0,0|1,0,0]=3 3075 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [0,2,0,0,0,0|1,0,0]=3 3076 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [0,2,0,0,0,0|1,0,0]=3 3077 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [0,2,0,0,0,0|1,0,0]=3 3078 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [0,2,0,0,0,0|1,0,0]=3 3079 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [0,2,0,0,0,0|1,0,0]=3 3080 B9R1.15 CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200000210301 [0,2,0,0,0,0|1,0,1]=4 3081 B9R1.15 CN[C@@H]1CCCC[C@H]1F 34a_100015195156_200000210301 [0,2,0,0,0,0|1,0,1]=4 3082 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,2,0,0,0,0|0,0,0]=2 3083 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,2,0,0,0,0|0,0,0]=2 3084 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [0,2,0,0,0,0|0,0,2]=4 3085 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [0,2,0,0,0,0|0,0,2]=4 3086 B9R1.15 COC1CCCCC1Cl 34a_100000038908_200000210301 [0,2,0,0,0,0|0,0,2]=4 3087 B9R1.15 COC1CCCCC1Cl 7a_100000038908_200000210301 [0,2,0,0,0,0|0,0,2]=4 3088 B9R1.15 COC1CCCCC1F 34a_100138415774_100015423560 [0,2,0,0,0,0|0,0,2]=4 3089 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [0,2,0,0,0,0|0,0,2]=4 3090 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [0,2,0,0,0,0|1,0,0]=3 3091 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [0,2,0,0,0,0|1,0,0]=3 3092 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [0,2,0,0,0,0|1,0,0]=3 3093 B9R1.15 CO[C@@H]1CCCC[C@H]1F 34a_100009816020_200000210301 [0,2,0,0,0,0|0,0,2]=4 3094 B9R1.15 CO[C@@H]1CCCC[C@H]1F 7a_100009816020_200000210301 [0,2,0,0,0,0|0,0,2]=4 3095 B9R1.15 CO[C@H]1CCCC[C@H]1N 34a_100015191688_200000210301 [0,2,0,0,0,0|0,0,2]=4 3096 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,2,0,0,0,0|0,0,0]=2 3097 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,2,0,0,0,0|0,0,0]=2 3098 B9R1.15 CSC1CCCCC1F 62a_100015423560_200000210301 [0,2,0,0,0,0|0,1,1]=4 3099 B9R1.15 CSC1CCCCC1F 62a_200000210301_100015423560 [0,2,0,0,0,0|0,1,1]=4 3100 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [0,2,0,0,0,0|0,0,2]=4 3101 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [0,2,0,0,0,0|0,0,2]=4 3102 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [0,2,0,0,0,0|1,0,0]=3 3103 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [0,2,0,0,0,0|1,0,0]=3 3104 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [0,2,0,0,0,0|1,0,0]=3 3105 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [0,2,0,0,0,0|1,0,0]=3 3106 B9R1.15 [13CH3]N1CCCCC1C#N 34a_100016989756_200025704644 [0,2,0,0,0,0|2,0,0]=4 3107 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [0,2,0,0,0,0|2,0,0]=4 3108 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [0,2,0,0,0,0|2,0,0]=4 3109 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [0,2,0,0,0,0|2,0,0]=4 3110 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [0,2,0,0,0,0|1,0,0]=3 3111 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [0,2,0,0,0,0|1,0,0]=3 3112 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 2230a_100015195156_200025704644 [0,2,0,0,0,0|1,0,1]=4 3113 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 34a_100015195156_200025704644 [0,2,0,0,0,0|1,0,1]=4 3114 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,2,0,0,0,0|0,0,0]=2 3115 B9R1.15 [13CH3]OC1CCCCC1Cl 34a_100000038908_200025704644 [0,2,0,0,0,0|0,0,2]=4 3116 B9R1.15 [13CH3]OC1CCCCC1Cl 7a_100000038908_200025704644 [0,2,0,0,0,0|0,0,2]=4 3117 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [0,2,0,0,0,0|1,0,0]=3 3118 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 34a_100009816020_200025704644 [0,2,0,0,0,0|0,0,2]=4 3119 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 7a_100009816020_200025704644 [0,2,0,0,0,0|0,0,2]=4 3120 B9R1.15 [13CH3]O[C@H]1CCCC[C@H]1N 34a_100015191688_200025704644 [0,2,0,0,0,0|0,0,2]=4 3121 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,2,0,0,0,0|0,0,0]=2 3122 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,2,0,0,0,0|0,0,0]=2 3123 B9R1.15 [13CH3]SC1CCCCC1F 62a_100015423560_200025704644 [0,2,0,0,0,0|0,1,1]=4 3124 B9R1.15 [13CH3]SC1CCCCC1F 62a_200025704644_100015423560 [0,2,0,0,0,0|0,1,1]=4 3125 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [0,2,0,0,0,0|0,0,2]=4 3126 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [0,2,0,0,0,0|0,0,2]=4 3127 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [0,2,0,0,0,0|1,0,0]=3 3128 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [0,2,0,0,0,0|1,0,0]=3 3129 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [0,2,0,0,0,0|1,0,0]=3 3130 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [0,2,0,0,0,0|1,0,0]=3 3131 B9R1.118 CC1(CCCCC1)N[13CH3] 2230a_100000741114_200025704644 [0,2,0,0,0,0|1,0,1]=4 3132 B9R1.118 CC1(CCCCC1)N[13CH3] 34a_100000741114_200025704644 [0,2,0,0,0,0|1,0,1]=4 3133 B9R1.118 CC1(CCCCC1)O[13CH3] 34a_100011215885_200025704644 [0,2,0,0,0,0|0,0,2]=4 3134 B9R1.118 CC1(CCCCC1)O[13CH3] 7a_100011215885_200025704644 [0,2,0,0,0,0|0,0,2]=4 3135 B9R1.118 CNC1(CCCCC1)C 2230a_100000741114_200000210301 [0,2,0,0,0,0|1,0,1]=4 3136 B9R1.118 CNC1(CCCCC1)C 34a_100000741114_200000210301 [0,2,0,0,0,0|1,0,1]=4 3137 B9R1.118 COC1(CCCCC1)C 34a_100011215885_200000210301 [0,2,0,0,0,0|0,0,2]=4 3138 B9R1.118 COC1(CCCCC1)C 7a_100011215885_200000210301 [0,2,0,0,0,0|0,0,2]=4 3139 B9R1.10 CC1(CCN(CC1)[13CH3])C 2230a_100000750138_200025704644 [0,2,0,0,0,0|2,0,0]=4 3140 B9R1.10 CC1(CCN(CC1)[13CH3])C 269982a_100000750138_200025704644 [0,2,0,0,0,0|2,0,0]=4 3141 B9R1.10 CC1(CCN(CC1)[13CH3])O 2230a_100000690209_200025704644 [0,2,0,0,0,0|2,0,0]=4 3142 B9R1.10 CC1(CCN(CC1)[13CH3])O 269982a_100000690209_200025704644 [0,2,0,0,0,0|2,0,0]=4 3143 B9R1.10 CN1CCC(CC1)(C)C 2230a_100000750138_200000210301 [0,2,0,0,0,0|2,0,0]=4 3144 B9R1.10 CN1CCC(CC1)(C)C 269982a_100000750138_200000210301 [0,2,0,0,0,0|2,0,0]=4 3145 B9R1.10 CN1CCC(CC1)(C)O 2230a_100000690209_200000210301 [0,2,0,0,0,0|2,0,0]=4 3146 B9R1.10 CN1CCC(CC1)(C)O 269982a_100000690209_200000210301 [0,2,0,0,0,0|2,0,0]=4 3147 B9R1.10 CN1CCC(CC1)(F)F 2230a_100000724815_200000210301 [0,2,0,0,0,0|2,0,0]=4 3148 B9R1.10 CN1CCC(CC1)(F)F 269982a_100000724815_200000210301 [0,2,0,0,0,0|2,0,0]=4 3149 B9R1.10 CN1CCC(CC1)(F)F 34a_100000724815_200000210301 [0,2,0,0,0,0|2,0,0]=4 3150 B9R1.10 CN1CCC(CC1)(O)O 269982a_100016987284_200000210301 [0,2,0,0,0,0|2,0,0]=4 3151 B9R1.10 CN1CCS(=O)(=O)CC1 2230a_100000750940_200000210301 [0,2,0,0,0,0|2,0,0]=4 3152 B9R1.10 CN1CCS(=O)(=O)CC1 269982a_100000750940_200000210301 [0,2,0,0,0,0|2,0,0]=4 3153 B9R1.10 CN1CCS(=O)(=O)CC1 34a_100000750940_200000210301 [0,2,0,0,0,0|2,0,0]=4 3154 B9R1.10 [13CH3]N1CCC(CC1)(F)F 2230a_100000724815_200025704644 [0,2,0,0,0,0|2,0,0]=4 3155 B9R1.10 [13CH3]N1CCC(CC1)(F)F 269982a_100000724815_200025704644 [0,2,0,0,0,0|2,0,0]=4 3156 B9R1.10 [13CH3]N1CCC(CC1)(F)F 34a_100000724815_200025704644 [0,2,0,0,0,0|2,0,0]=4 3157 B9R1.10 [13CH3]N1CCC(CC1)(O)O 269982a_100016987284_200025704644 [0,2,0,0,0,0|2,0,0]=4 3158 B9R1.10 [13CH3]N1CCS(=O)(=O)CC1 2230a_100000750940_200025704644 [0,2,0,0,0,0|2,0,0]=4 3159 B9R1.10 [13CH3]N1CCS(=O)(=O)CC1 269982a_100000750940_200025704644 [0,2,0,0,0,0|2,0,0]=4 3160 B9R1.10 [13CH3]N1CCS(=O)(=O)CC1 34a_100000750940_200025704644 [0,2,0,0,0,0|2,0,0]=4 3161 B9R1.69 CC1CCN(CC1O)C 2230a_100000696640_200000210301 [0,2,0,0,0,0|2,0,0]=4 3162 B9R1.69 CC1CCN(CC1O)C 269982a_100000696640_200000210301 [0,2,0,0,0,0|2,0,0]=4 3163 B9R1.69 CC1CCN(CC1O)[13CH3] 2230a_100000696640_200025704644 [0,2,0,0,0,0|2,0,0]=4 3164 B9R1.69 CC1CCN(CC1O)[13CH3] 269982a_100000696640_200025704644 [0,2,0,0,0,0|2,0,0]=4 3165 B9R1.69 CC1CN(CCC1O)C 2230a_100011998114_200000210301 [0,2,0,0,0,0|2,0,0]=4 3166 B9R1.69 CC1CN(CCC1O)C 269982a_100011998114_200000210301 [0,2,0,0,0,0|2,0,0]=4 3167 B9R1.69 CC1CN(CCC1O)[13CH3] 2230a_100011998114_200025704644 [0,2,0,0,0,0|2,0,0]=4 3168 B9R1.69 CC1CN(CCC1O)[13CH3] 269982a_100011998114_200025704644 [0,2,0,0,0,0|2,0,0]=4 3169 B9R1.69 CN1CCN(C(=O)C1)C 2230a_100000187256_200000210301 [0,2,0,0,0,0|2,0,0]=4 3170 B9R1.69 CN1CCN(C(=O)C1)C 269982a_100000187256_200000210301 [0,2,0,0,0,0|2,0,0]=4 3171 B9R1.69 CN1CCN(CC1=O)[13CH3] 2230a_100000187256_200025704644 [0,2,0,0,0,0|2,0,0]=4 3172 B9R1.69 CN1CCN(CC1=O)[13CH3] 269982a_100000187256_200025704644 [0,2,0,0,0,0|2,0,0]=4 3173 B9R1.69 CN1CC[C@H]([C@H](C1)F)O 2230a_200016994291_200000210301 [0,2,0,0,0,0|2,0,0]=4 3174 B9R1.69 CN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_200000210301 [0,2,0,0,0,0|2,0,0]=4 3175 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200000210301 [0,2,0,0,0,0|2,0,0]=4 3176 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200000210301 [0,2,0,0,0,0|2,0,0]=4 3177 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)F)O 2230a_200016994291_200025704644 [0,2,0,0,0,0|2,0,0]=4 3178 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)F)O 269982a_200016994291_200025704644 [0,2,0,0,0,0|2,0,0]=4 3179 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200025704644 [0,2,0,0,0,0|2,0,0]=4 3180 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200025704644 [0,2,0,0,0,0|2,0,0]=4 3181 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,2,0,0,0,0|2,0,0]=4 3182 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,2,0,0,0,0|2,0,0]=4 3183 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,2,0,0,0,0|2,0,0]=4 3184 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,2,0,0,0,0|2,0,0]=4 3185 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,2,0,0,0,0|2,0,0]=4 3186 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,2,0,0,0,0|2,0,0]=4 3187 B9R1.3 CC1CCCC(N1C)C 2230a_100000210447_200000210301 [0,2,0,0,0,0|2,0,0]=4 3188 B9R1.3 CC1CCCC(N1C)C 269982a_100000210447_200000210301 [0,2,0,0,0,0|2,0,0]=4 3189 B9R1.3 CC1CCCC(N1C)C 34a_100000210447_200000210301 [0,2,0,0,0,0|2,0,0]=4 3190 B9R1.3 CC1CCCC(N1[13CH3])C 2230a_100000210447_200025704644 [0,2,0,0,0,0|2,0,0]=4 3191 B9R1.3 CC1CCCC(N1[13CH3])C 269982a_100000210447_200025704644 [0,2,0,0,0,0|2,0,0]=4 3192 B9R1.3 CC1CCCC(N1[13CH3])C 34a_100000210447_200025704644 [0,2,0,0,0,0|2,0,0]=4 3193 B9R1.34 CC1CC(CN(C1)C)C 2230a_100000210448_200000210301 [0,2,0,0,0,0|2,0,0]=4 3194 B9R1.34 CC1CC(CN(C1)C)C 269982a_100000210448_200000210301 [0,2,0,0,0,0|2,0,0]=4 3195 B9R1.34 CC1CC(CN(C1)C)C 34a_100000210448_200000210301 [0,2,0,0,0,0|2,0,0]=4 3196 B9R1.34 CC1CC(CN(C1)[13CH3])C 2230a_100000210448_200025704644 [0,2,0,0,0,0|2,0,0]=4 3197 B9R1.34 CC1CC(CN(C1)[13CH3])C 269982a_100000210448_200025704644 [0,2,0,0,0,0|2,0,0]=4 3198 B9R1.34 CC1CC(CN(C1)[13CH3])C 34a_100000210448_200025704644 [0,2,0,0,0,0|2,0,0]=4 3199 B9R1.66 CC1(CCCN(C1)[13CH3])C 2230a_100000716857_200025704644 [0,2,0,0,0,0|2,0,0]=4 3200 B9R1.66 CC1(CCCN(C1)[13CH3])C 269982a_100000716857_200025704644 [0,2,0,0,0,0|2,0,0]=4 3201 B9R1.66 CC1(CCCN(C1)[13CH3])C 34a_100000716857_200025704644 [0,2,0,0,0,0|2,0,0]=4 3202 B9R1.66 CC1(CCCN(C1)[13CH3])O 2230a_100000695535_200025704644 [0,2,0,0,0,0|2,0,0]=4 3203 B9R1.66 CC1(CCCN(C1)[13CH3])O 269982a_100000695535_200025704644 [0,2,0,0,0,0|2,0,0]=4 3204 B9R1.66 CN1CCCC(C1)(C)C 2230a_100000716857_200000210301 [0,2,0,0,0,0|2,0,0]=4 3205 B9R1.66 CN1CCCC(C1)(C)C 269982a_100000716857_200000210301 [0,2,0,0,0,0|2,0,0]=4 3206 B9R1.66 CN1CCCC(C1)(C)C 34a_100000716857_200000210301 [0,2,0,0,0,0|2,0,0]=4 3207 B9R1.66 CN1CCCC(C1)(C)O 2230a_100000695535_200000210301 [0,2,0,0,0,0|2,0,0]=4 3208 B9R1.66 CN1CCCC(C1)(C)O 269982a_100000695535_200000210301 [0,2,0,0,0,0|2,0,0]=4 3209 B9R1.66 CN1CCCC(C1)(F)F 2230a_100000732682_200000210301 [0,2,0,0,0,0|2,0,0]=4 3210 B9R1.66 CN1CCCC(C1)(F)F 269982a_100000732682_200000210301 [0,2,0,0,0,0|2,0,0]=4 3211 B9R1.66 CN1CCCC(C1)(F)F 34a_100000732682_200000210301 [0,2,0,0,0,0|2,0,0]=4 3212 B9R1.66 [13CH3]N1CCCC(C1)(F)F 2230a_100000732682_200025704644 [0,2,0,0,0,0|2,0,0]=4 3213 B9R1.66 [13CH3]N1CCCC(C1)(F)F 269982a_100000732682_200025704644 [0,2,0,0,0,0|2,0,0]=4 3214 B9R1.66 [13CH3]N1CCCC(C1)(F)F 34a_100000732682_200025704644 [0,2,0,0,0,0|2,0,0]=4 3215 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [0,0,1,1,0,0|2,0,0]=4 3216 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,0,1,1,0,0|1,0,0]=3 3217 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,0,1,1,0,0|1,0,0]=3 3218 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,0,1,1,0,0|1,0,0]=3 3219 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,0,1,1,0,0|1,0,0]=3 3220 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,0,1,1,0,0|1,0,0]=3 3221 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,0,1,1,0,0|1,0,0]=3 3222 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,0,1,1,0,0|1,0,0]=3 3223 B7R1.10 CCN1CC(C1)C 2230a_100000702820_100000210202 [0,0,1,1,0,0|2,0,0]=4 3224 B7R1.10 CCN1CC(C1)C 269982a_100000702820_100000204670 [0,0,1,1,0,0|2,0,0]=4 3225 B7R1.10 CCN1CC(C1)C 34a_100000702820_100000210202 [0,0,1,1,0,0|2,0,0]=4 3226 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [0,0,1,1,0,0|0,0,0]=2 3227 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [0,0,1,1,0,0|1,0,0]=3 3228 B7R1.22 CCN(C)C1CC1 2230a_100000226674_100000210202 [0,0,1,1,0,0|2,0,0]=4 3229 B7R1.22 CCN(C)C1CC1 2230a_100000738653_200000210301 [0,0,1,1,0,0|2,0,0]=4 3230 B7R1.22 CCN(C)C1CC1 269982a_100000225621_100000211595 [0,0,1,1,0,0|2,0,0]=4 3231 B7R1.22 CCN(C)C1CC1 269982a_100000226674_100000204670 [0,0,1,1,0,0|2,0,0]=4 3232 B7R1.22 CCN(C)C1CC1 269982a_100000738653_200000210301 [0,0,1,1,0,0|2,0,0]=4 3233 B7R1.22 CCN([13CH3])C1CC1 2230a_100000738653_200025704644 [0,0,1,1,0,0|2,0,0]=4 3234 B7R1.22 CCN([13CH3])C1CC1 269982a_100000738653_200025704644 [0,0,1,1,0,0|2,0,0]=4 3235 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [0,0,1,1,0,0|1,0,0]=3 3236 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [0,0,1,1,0,0|1,0,0]=3 3237 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [0,0,1,1,0,0|1,0,0]=3 3238 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [0,0,1,1,0,0|1,0,0]=3 3239 B7R1.22 CNC(=O)C1CO1 11a_106832991635_100000701028 [0,0,1,1,0,0|2,0,0]=4 3240 B7R1.22 CNC(=O)C1CO1 1626a_100102657272_100000701028 [0,0,1,1,0,0|2,0,0]=4 3241 B7R1.22 CNC(=O)C1CO1 240690a_100102657272_100000701028 [0,0,1,1,0,0|2,0,0]=4 3242 B7R1.22 CNC(=O)C1CO1 527a_100102657272_100000701028 [0,0,1,1,0,0|2,0,0]=4 3243 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [0,0,1,1,0,0|1,0,0]=3 3244 B7R1.22 O=C(CF)C1CO1 1458a_100000701028_100015361967 [0,0,1,1,0,0|2,0,0]=4 3245 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,0,1,1,0,0|0,0,0]=2 3246 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [0,0,1,1,0,0|1,0,0]=3 3247 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,0,1,1,0,0|0,0,0]=2 3248 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [0,0,1,1,0,0|1,0,0]=3 3249 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,1,1,0,0|0,0,0]=2 3250 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,1,1,0,0|0,0,0]=2 3251 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,0,1,1,0,0|1,0,0]=3 3252 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,0,1,1,0,0|1,0,0]=3 3253 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,0,1,1,0,0|1,0,0]=3 3254 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,0,1,1,0,0|1,0,0]=3 3255 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,0,1,1,0,0|1,0,0]=3 3256 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,0,1,1,0,0|1,0,0]=3 3257 B7R1.18 CN(C)C1CCC1 2230a_100000758072_200000210301 [0,0,1,1,0,0|2,0,0]=4 3258 B7R1.18 CN(C)C1CCC1 269982a_100000758072_200000210301 [0,0,1,1,0,0|2,0,0]=4 3259 B7R1.18 CN(C)C1CCC1 269982a_100102631434_100000749161 [0,0,1,1,0,0|2,0,0]=4 3260 B7R1.18 CN(C)C1CCC1 270004a_100102631434_100000241760 [0,0,1,1,0,0|2,0,0]=4 3261 B7R1.18 CN(C)C1CCC1 34a_100000758072_200000210301 [0,0,1,1,0,0|2,0,0]=4 3262 B7R1.18 CN([13CH3])C1CCC1 2230a_100000758072_200025704644 [0,0,1,1,0,0|2,0,0]=4 3263 B7R1.18 CN([13CH3])C1CCC1 269982a_100000758072_200025704644 [0,0,1,1,0,0|2,0,0]=4 3264 B7R1.18 CN([13CH3])C1CCC1 34a_100000758072_200025704644 [0,0,1,1,0,0|2,0,0]=4 3265 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,1,1,0,0|0,0,0]=2 3266 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,0,1,1,0,0|1,0,0]=3 3267 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,0,1,1,0,0|1,0,0]=3 3268 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,0,1,1,0,0|0,0,0]=2 3269 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,0,1,1,0,0|0,0,0]=2 3270 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [0,0,1,1,0,0|1,0,0]=3 3271 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [0,0,1,1,0,0|1,0,0]=3 3272 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [0,0,1,1,0,0|1,0,0]=3 3273 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [0,0,1,1,0,0|1,0,0]=3 3274 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [0,0,1,1,0,0|1,0,0]=3 3275 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [0,0,1,1,0,0|1,0,0]=3 3276 B7R1.20 CN(C)CC1CC1 2230a_100000741881_200000210301 [0,0,1,1,0,0|2,0,0]=4 3277 B7R1.20 CN(C)CC1CC1 2230a_100102631434_100000742324 [0,0,1,1,0,0|2,0,0]=4 3278 B7R1.20 CN(C)CC1CC1 269982a_100000741881_200000210301 [0,0,1,1,0,0|2,0,0]=4 3279 B7R1.20 CN(C)CC1CC1 269982a_100102631434_100000756562 [0,0,1,1,0,0|2,0,0]=4 3280 B7R1.20 CN([13CH3])CC1CC1 2230a_100000741881_200025704644 [0,0,1,1,0,0|2,0,0]=4 3281 B7R1.20 CN([13CH3])CC1CC1 269982a_100000741881_200025704644 [0,0,1,1,0,0|2,0,0]=4 3282 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,0,1,1,0,0|0,0,0]=2 3283 B9R2.24 CN1C2CCC1CC2 2230a_100000735658_200000210301 [0,1,0,1,0,0|1,0,1]=4 3284 B9R2.24 CN1C2CCC1CC2 269982a_100000735658_200000210301 [0,1,0,1,0,0|1,0,1]=4 3285 B9R2.24 CN1C2CCC1CC2 34a_100000735658_200000210301 [0,1,0,1,0,0|1,0,1]=4 3286 B9R2.24 [13CH3]N1C2CCC1CC2 2230a_100000735658_200025704644 [0,1,0,1,0,0|1,0,1]=4 3287 B9R2.24 [13CH3]N1C2CCC1CC2 269982a_100000735658_200025704644 [0,1,0,1,0,0|1,0,1]=4 3288 B9R2.24 [13CH3]N1C2CCC1CC2 34a_100000735658_200025704644 [0,1,0,1,0,0|1,0,1]=4 3289 B9R2.47 CCN1CC2CC2C1 2230a_100000741873_100000210202 [0,1,0,1,0,0|2,0,0]=4 3290 B9R2.47 CCN1CC2CC2C1 269982a_100000741873_100000204670 [0,1,0,1,0,0|2,0,0]=4 3291 B9R2.47 CCN1CC2CC2C1 34a_100000741873_100000210202 [0,1,0,1,0,0|2,0,0]=4 3292 B9R2.47 CNC1CC2CC2C1 270004a_106832991635_100010340937 [0,1,0,1,0,0|1,0,1]=4 3293 B9R2.47 FCN1CC2CC2C1 269982a_100000741873_100015361967 [0,1,0,1,0,0|2,0,0]=4 3294 B9R2.47 FCN1CC2CC2C1 34a_100000741873_100015361967 [0,1,0,1,0,0|2,0,0]=4 3295 B9R2.70 CNC1CCC2C1C2 269862a_106832991636_100000692480 [0,1,0,1,0,0|1,0,1]=4 3296 B9R2.70 CNC1CCC2C1C2 270004a_106832991635_100000692480 [0,1,0,1,0,0|1,0,1]=4 3297 B9R2.70 COC1CCC2C1C2 34a_200012295571_200000210301 [0,1,0,1,0,0|0,0,2]=4 3298 B9R2.70 [13CH3]OC1CCC2C1C2 34a_200012295571_200025704644 [0,1,0,1,0,0|0,0,2]=4 3299 B9R2.39 CN1CC2CCC1C2 2230a_100000743476_200000210301 [0,1,0,1,0,0|2,0,0]=4 3300 B9R2.39 CN1CC2CCC1C2 269982a_100000743476_200000210301 [0,1,0,1,0,0|2,0,0]=4 3301 B9R2.39 CN1CC2CCC1C2 34a_100000743476_200000210301 [0,1,0,1,0,0|2,0,0]=4 3302 B9R2.39 [13CH3]N1CC2CCC1C2 2230a_100000743476_200025704644 [0,1,0,1,0,0|2,0,0]=4 3303 B9R2.39 [13CH3]N1CC2CCC1C2 269982a_100000743476_200025704644 [0,1,0,1,0,0|2,0,0]=4 3304 B9R2.39 [13CH3]N1CC2CCC1C2 34a_100000743476_200025704644 [0,1,0,1,0,0|2,0,0]=4 3305 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [0,0,0,0,2,0|2,0,0]=4 3306 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [0,0,0,0,2,0|2,0,0]=4 3307 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [0,0,0,0,0,2|2,0,0]=4 3308 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [0,0,0,0,0,2|2,0,0]=4 3309 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [0,0,0,0,0,2|2,0,0]=4 3310 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [0,0,0,0,0,2|2,0,0]=4 3311 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [0,0,0,0,0,2|2,0,0]=4 3312 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [0,0,0,0,0,2|2,0,0]=4