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 CNC1C=CCCC1 2230a_106832991635_100000751183 [0,1,0,0,0,0|1,0,1]=3 31 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [0,1,0,0,0,0|1,0,1]=3 32 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [0,1,0,0,0,0|1,0,0]=2 33 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [0,1,0,0,0,0|1,0,0]=2 34 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [0,1,0,0,0,0|1,0,0]=2 35 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [0,1,0,0,0,0|1,0,0]=2 36 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [0,1,0,0,0,0|1,0,0]=2 37 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [0,1,0,0,0,0|2,0,0]=3 38 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [0,1,0,0,0,0|2,0,0]=3 39 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [0,1,0,0,0,0|2,0,0]=3 41 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [0,1,0,0,0,0|2,0,0]=3 43 B8R1.2 CNC1CCNCC1 270004a_106832991635_100015192401 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [0,1,0,0,0,0|2,0,0]=3 46 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [0,1,0,0,0,0|2,0,0]=3 47 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [0,1,0,0,0,0|2,0,0]=3 48 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [0,1,0,0,0,0|2,0,0]=3 50 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [0,1,0,0,0,0|2,0,0]=3 53 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [0,1,0,0,0,0|1,0,1]=3 54 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [0,1,0,0,0,0|1,0,2]=4 55 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [0,1,0,0,0,0|1,0,0]=2 56 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [0,1,0,0,0,0|1,0,0]=2 57 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [0,1,0,0,0,0|1,0,0]=2 58 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [0,1,0,0,0,0|1,0,0]=2 59 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [0,1,0,0,0,0|2,0,0]=3 64 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [0,1,0,0,0,0|2,0,0]=3 65 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [0,1,0,0,0,0|2,0,0]=3 66 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [0,1,0,0,0,0|1,0,1]=3 67 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [0,1,0,0,0,0|1,0,1]=3 68 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [0,1,0,0,0,0|1,0,0]=2 69 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [0,1,0,0,0,0|1,0,0]=2 70 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [0,1,0,0,0,0|2,0,0]=3 71 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [0,1,0,0,0,0|2,0,0]=3 72 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [0,1,0,0,0,0|2,0,0]=3 73 B8R1.2 FCN1CCCOC1 269982a_100000131196_100015361967 [0,1,0,0,0,0|3,0,0]=4 74 B8R1.2 FCN1CCCOC1 34a_100000131196_100015361967 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.2 FCN1CCOCC1 269982a_100015191051_100015361967 [0,1,0,0,0,0|3,0,0]=4 76 B8R1.2 FCN1CCOCC1 34a_100015191051_100015361967 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.2 FCN1CCSCC1 269982a_100000737611_100015361967 [0,1,0,0,0,0|3,0,0]=4 78 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [0,1,0,0,0,0|1,0,0]=2 79 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [0,1,0,0,0,0|1,0,0]=2 80 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [0,1,0,0,0,0|1,0,1]=3 87 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [0,1,0,0,0,0|1,0,2]=4 88 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [0,1,0,0,0,0|1,0,0]=2 89 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [0,1,0,0,0,0|1,0,0]=2 90 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [0,1,0,0,0,0|1,0,0]=2 91 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [0,1,0,0,0,0|2,0,0]=3 94 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [0,1,0,0,0,0|1,0,1]=3 97 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [0,1,0,0,0,0|1,0,1]=3 98 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [0,1,0,0,0,0|1,0,0]=2 99 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [0,1,0,0,0,0|1,0,0]=2 100 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [0,1,0,0,0,0|2,0,1]=4 104 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [0,1,0,0,0,0|2,0,1]=4 105 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [0,1,0,0,0,0|2,0,1]=4 106 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [0,1,0,0,0,0|2,0,1]=4 107 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [0,1,0,0,0,0|2,0,1]=4 108 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [0,1,0,0,0,0|2,0,1]=4 109 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,1,0,0,0,0|2,0,1]=4 110 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,1,0,0,0,0|2,0,1]=4 111 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,1,0,0,0,0|2,0,1]=4 112 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,1,0,0,0,0|2,0,1]=4 113 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,1,0,0,0,0|2,0,1]=4 114 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,1,0,0,0,0|2,0,1]=4 115 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [0,1,0,0,0,0|2,0,0]=3 118 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [0,1,0,0,0,0|2,0,0]=3 121 B8R1.3 CN1CCC(CC1)F 2230a_100015193889_200000210301 [0,1,0,0,0,0|2,0,0]=3 122 B8R1.3 CN1CCC(CC1)F 269982a_100015193889_200000210301 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.3 CN1CCC(CC1)F 34a_100015193889_200000210301 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.3 CN1CCC(CC1)O 2230a_100025773856_200000210301 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.3 CN1CCC(CC1)O 269982a_100025773856_200000210301 [0,1,0,0,0,0|2,0,0]=3 126 B8R1.3 CN1CCN(CC1)C 2230a_100000188432_200000210301 [0,1,0,0,0,0|3,0,0]=4 127 B8R1.3 CN1CCN(CC1)C 269982a_100000188432_200000210301 [0,1,0,0,0,0|3,0,0]=4 128 B8R1.3 CN1CCN(CC1)[13CH3] 2230a_100000188432_200025704644 [0,1,0,0,0,0|3,0,0]=4 129 B8R1.3 CN1CCN(CC1)[13CH3] 269982a_100000188432_200025704644 [0,1,0,0,0,0|3,0,0]=4 130 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [0,1,0,0,0,0|3,0,0]=4 131 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [0,1,0,0,0,0|3,0,0]=4 132 B8R1.3 [13CH3]N1CCC(CC1)F 2230a_100015193889_200025704644 [0,1,0,0,0,0|2,0,0]=3 133 B8R1.3 [13CH3]N1CCC(CC1)F 269982a_100015193889_200025704644 [0,1,0,0,0,0|2,0,0]=3 134 B8R1.3 [13CH3]N1CCC(CC1)F 34a_100015193889_200025704644 [0,1,0,0,0,0|2,0,0]=3 135 B8R1.3 [13CH3]N1CCC(CC1)O 2230a_100025773856_200025704644 [0,1,0,0,0,0|2,0,0]=3 136 B8R1.3 [13CH3]N1CCC(CC1)O 269982a_100025773856_200025704644 [0,1,0,0,0,0|2,0,0]=3 137 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [0,1,0,0,0,0|3,0,0]=4 138 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [0,1,0,0,0,0|3,0,0]=4 139 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,1,0,0,0,0|2,0,1]=4 140 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,1,0,0,0,0|2,0,1]=4 141 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,1,0,0,0,0|2,0,1]=4 142 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,1,0,0,0,0|2,0,1]=4 143 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,1,0,0,0,0|2,0,1]=4 144 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,1,0,0,0,0|2,0,1]=4 145 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [0,1,0,0,0,0|2,0,0]=3 146 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [0,1,0,0,0,0|2,0,0]=3 150 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.4 CN1CCCC(C1)F 2230a_100000697950_200000210301 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.4 CN1CCCC(C1)F 269982a_100000697950_200000210301 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.4 CN1CCCC(C1)F 34a_100000697950_200000210301 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [0,1,0,0,0,0|2,0,0]=3 156 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,1,0,0,0,0|2,0,1]=4 157 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [0,1,0,0,0,0|3,0,0]=4 158 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [0,1,0,0,0,0|3,0,0]=4 159 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [0,1,0,0,0,0|2,0,0]=3 161 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [0,1,0,0,0,0|2,0,0]=3 162 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [0,1,0,0,0,0|2,0,0]=3 164 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.4 [13CH3]N1CCCC(C1)F 2230a_100000697950_200025704644 [0,1,0,0,0,0|2,0,0]=3 166 B8R1.4 [13CH3]N1CCCC(C1)F 269982a_100000697950_200025704644 [0,1,0,0,0,0|2,0,0]=3 167 B8R1.4 [13CH3]N1CCCC(C1)F 34a_100000697950_200025704644 [0,1,0,0,0,0|2,0,0]=3 168 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [0,1,0,0,0,0|2,0,0]=3 169 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [0,1,0,0,0,0|2,0,0]=3 170 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,1,0,0,0,0|2,0,1]=4 171 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [0,1,0,0,0,0|3,0,0]=4 172 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [0,1,0,0,0,0|3,0,0]=4 173 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [0,1,0,0,0,0|0,0,0]=1 174 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [0,1,0,0,0,0|0,0,0]=1 175 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [0,1,0,0,0,0|0,0,0]=1 176 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [0,1,0,0,0,0|0,0,0]=1 177 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [0,1,0,0,0,0|0,0,0]=1 178 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [0,1,0,0,0,0|0,0,0]=1 179 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [0,1,0,0,0,0|1,0,0]=2 180 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [0,1,0,0,0,0|1,0,0]=2 181 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [0,1,0,0,0,0|1,0,0]=2 182 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [0,1,0,0,0,0|1,0,0]=2 183 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [0,1,0,0,0,0|1,0,0]=2 184 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [0,1,0,0,0,0|1,0,0]=2 185 B6R0.1 C#CC(C)NCC 2230a_100000707721_100000210202 [0,0,1,0,0,0|0,0,2]=3 186 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [0,0,1,0,0,0|0,0,2]=3 187 B6R0.1 C#CC(C)NCF 34a_100000707721_100015361967 [0,0,1,0,0,0|1,0,2]=4 188 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [0,0,1,0,0,0|1,0,2]=4 189 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [0,0,1,0,0,0|1,0,2]=4 190 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [0,0,1,0,0,0|1,0,2]=4 191 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [0,0,1,0,0,0|1,0,2]=4 192 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [0,0,1,0,0,0|1,0,2]=4 193 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [0,0,1,0,0,0|1,0,2]=4 194 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [0,0,1,0,0,0|1,0,2]=4 195 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [0,0,1,0,0,0|1,0,2]=4 196 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,0,1,0,0,0|1,0,2]=4 197 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,0,1,0,0,0|1,0,2]=4 198 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,0,1,0,0,0|2,0,1]=4 199 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,0,1,0,0,0|2,0,1]=4 200 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,0,1,0,0,0|2,0,1]=4 201 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,0,1,0,0,0|2,0,1]=4 202 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,0,1,0,0,0|1,0,2]=4 203 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,0,1,0,0,0|1,0,2]=4 204 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,0,1,0,0,0|1,0,2]=4 205 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,0,1,0,0,0|1,0,2]=4 206 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,0,1,0,0,0|1,0,2]=4 207 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,0,1,0,0,0|1,0,2]=4 208 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [0,0,1,0,0,0|1,0,2]=4 209 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [0,0,1,0,0,0|1,0,2]=4 210 B6R0.1 CC(CC#N)S[13CH3] 62a_100009813641_200025704644 [0,0,1,0,0,0|2,0,1]=4 211 B6R0.1 CC(CC#N)S[13CH3] 62a_200025704644_100009813641 [0,0,1,0,0,0|2,0,1]=4 212 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,0,1,0,0,0|2,0,0]=3 213 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,0,1,0,0,0|2,0,0]=3 214 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,0,1,0,0,0|2,0,0]=3 215 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,0,1,0,0,0|3,0,0]=4 216 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,0,1,0,0,0|3,0,0]=4 217 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,0,1,0,0,0|3,0,0]=4 218 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,0,1,0,0,0|3,0,0]=4 219 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,0,1,0,0,0|3,0,0]=4 220 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [0,0,1,0,0,0|3,0,0]=4 221 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [0,0,1,0,0,0|2,0,1]=4 222 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,0,1,0,0,0|2,0,0]=3 223 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,0,1,0,0,0|2,0,0]=3 224 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,0,1,0,0,0|2,0,0]=3 225 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,0,1,0,0,0|2,0,0]=3 226 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,0,1,0,0,0|2,0,0]=3 227 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,0,1,0,0,0|2,0,0]=3 228 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,0,1,0,0,0|2,0,0]=3 229 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,0,1,0,0,0|2,0,0]=3 230 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,0,1,0,0,0|2,0,0]=3 231 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,0,1,0,0,0|2,0,0]=3 232 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,0,1,0,0,0|2,0,0]=3 233 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,0,1,0,0,0|2,0,0]=3 234 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,0,1,0,0,0|2,0,0]=3 235 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,0,1,0,0,0|2,0,0]=3 236 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,0,1,0,0,0|3,0,0]=4 237 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,0,1,0,0,0|3,0,0]=4 238 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,0,1,0,0,0|3,0,0]=4 239 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,0,1,0,0,0|3,0,0]=4 240 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,0,1,0,0,0|3,0,0]=4 241 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,0,1,0,0,0|3,0,0]=4 242 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,0,1,0,0,0|3,0,0]=4 243 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,0,1,0,0,0|3,0,0]=4 244 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,0,1,0,0,0|3,0,0]=4 245 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,0,1,0,0,0|3,0,0]=4 246 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [0,0,1,0,0,0|2,0,1]=4 247 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [0,0,1,0,0,0|2,0,1]=4 248 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [0,0,1,0,0,0|1,0,1]=3 249 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [0,0,1,0,0,0|1,0,1]=3 250 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [0,0,1,0,0,0|1,0,1]=3 251 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [0,0,1,0,0,0|1,0,1]=3 252 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,0,1,0,0,0|0,0,0]=1 253 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,0,1,0,0,0|0,0,0]=1 254 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,0,1,0,0,0|0,0,0]=1 255 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,0,1,0,0,0|0,0,0]=1 256 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,0,1,0,0,0|0,0,0]=1 257 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,0,1,0,0,0|0,0,0]=1 258 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,0,1,0,0,0|1,0,0]=2 259 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,0,1,0,0,0|1,0,0]=2 260 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,0,1,0,0,0|1,0,0]=2 261 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,0,1,0,0,0|1,0,0]=2 262 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,0,1,0,0,0|1,0,0]=2 263 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,0,1,0,0,0|1,0,0]=2 264 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,0,1,0,0,0|1,0,0]=2 265 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,0,1,0,0,0|1,0,0]=2 266 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,0,1,0,0,0|1,0,0]=2 267 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|1,0,1]=3 291 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [0,0,1,0,0,0|1,0,1]=3 292 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [0,0,1,0,0,0|1,0,1]=3 293 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [0,0,1,0,0,0|2,0,1]=4 294 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [0,0,1,0,0,0|2,0,1]=4 295 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [0,0,1,0,0,0|2,0,1]=4 296 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [0,0,1,0,0,0|2,0,1]=4 297 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [0,0,1,0,0,0|2,0,1]=4 298 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [0,0,1,0,0,0|2,0,1]=4 299 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [0,0,1,0,0,0|2,0,1]=4 300 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [0,0,1,0,0,0|2,0,1]=4 301 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [0,0,1,0,0,0|1,0,1]=3 302 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [0,0,1,0,0,0|1,0,1]=3 303 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,0,1,0,0,0|0,0,0]=1 304 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,0,1,0,0,0|0,0,0]=1 305 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,0,1,0,0,0|1,0,0]=2 306 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,0,1,0,0,0|1,0,0]=2 307 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [0,0,1,0,0,0|2,0,1]=4 308 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,0,1,0,0,0|1,0,0]=2 309 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,0,1,0,0,0|1,0,0]=2 310 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,0,1,0,0,0|2,0,0]=3 311 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,0,1,0,0,0|2,0,0]=3 312 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,0,1,0,0,0|2,0,0]=3 313 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,0,1,0,0,0|2,0,0]=3 314 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [0,0,1,0,0,0|2,0,1]=4 315 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [0,0,1,0,0,0|2,0,1]=4 316 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,0,1,0,0,0|1,0,0]=2 317 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,0,1,0,0,0|1,0,0]=2 318 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,0,1,0,0,0|2,0,0]=3 319 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,0,1,0,0,0|2,0,0]=3 320 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,0,1,0,0,0|2,0,0]=3 321 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,0,1,0,0,0|2,0,0]=3 322 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,0,1,0,0,0|2,0,0]=3 323 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,0,1,0,0,0|2,0,0]=3 324 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,0,1,0,0,0|2,0,0]=3 325 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,0,1,0,0,0|2,0,0]=3 326 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,0,1,0,0,0|2,0,0]=3 327 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,0,1,0,0,0|2,0,0]=3 328 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,0,1,0,0,0|2,0,0]=3 329 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,0,1,0,0,0|2,0,0]=3 330 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,0,1,0,0,0|2,0,0]=3 331 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,0,1,0,0,0|2,0,0]=3 332 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,0,1,0,0,0|2,0,0]=3 333 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [0,0,1,0,0,0|2,0,1]=4 334 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [0,0,1,0,0,0|2,0,1]=4 335 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,0,1,0,0,0|2,0,1]=4 336 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,0,1,0,0,0|2,0,1]=4 337 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,0,1,0,0,0|2,0,1]=4 338 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,0,1,0,0,0|2,0,1]=4 339 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,0,1,0,0,0|2,0,1]=4 340 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,0,1,0,0,0|2,0,1]=4 341 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,0,1,0,0,0|2,0,1]=4 342 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [0,0,1,0,0,0|2,0,1]=4 343 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [0,0,1,0,0,0|2,0,1]=4 344 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [0,0,1,0,0,0|2,0,1]=4 345 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [0,0,1,0,0,0|2,0,1]=4 346 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [0,0,1,0,0,0|2,0,1]=4 347 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [0,0,1,0,0,0|2,0,1]=4 348 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [0,0,1,0,0,0|2,0,1]=4 349 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [0,0,1,0,0,0|2,0,1]=4 350 B6R0.1 CNC(C)CC#N 2230a_106832991635_100009813641 [0,0,1,0,0,0|1,0,1]=3 351 B6R0.1 CNC(C)CC#N 7a_106832991635_100009813641 [0,0,1,0,0,0|1,0,1]=3 352 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,0,1,0,0,0|1,0,0]=2 353 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,0,1,0,0,0|1,0,0]=2 354 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,0,1,0,0,0|1,0,0]=2 355 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,0,1,0,0,0|1,0,0]=2 356 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,0,1,0,0,0|1,0,0]=2 357 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,0,1,0,0,0|1,0,0]=2 358 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,0,1,0,0,0|1,0,0]=2 359 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,0,1,0,0,0|1,0,0]=2 360 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [0,0,1,0,0,0|2,0,1]=4 361 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [0,0,1,0,0,0|2,0,1]=4 362 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [0,0,1,0,0,0|2,0,1]=4 363 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [0,0,1,0,0,0|2,0,1]=4 364 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,0,1,0,0,0|3,0,0]=4 365 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,0,1,0,0,0|3,0,0]=4 366 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,0,1,0,0,0|3,0,0]=4 367 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,0,1,0,0,0|3,0,0]=4 368 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,0,1,0,0,0|2,0,0]=3 369 B6R0.1 CN[C@@H](C)CC#N 2230a_100016994482_200000210301 [0,0,1,0,0,0|1,0,1]=3 370 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,0,1,0,0,0|1,0,0]=2 371 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,0,1,0,0,0|1,0,0]=2 372 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,0,1,0,0,0|1,0,0]=2 373 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,0,1,0,0,0|2,0,0]=3 374 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,0,1,0,0,0|2,0,0]=3 375 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,0,1,0,0,0|2,0,0]=3 376 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [0,0,1,0,0,0|3,0,0]=4 377 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [0,0,1,0,0,0|3,0,0]=4 378 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,0,1,0,0,0|3,0,0]=4 379 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,0,1,0,0,0|2,0,0]=3 380 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,0,1,0,0,0|2,0,0]=3 381 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,0,1,0,0,0|2,0,0]=3 382 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,0,1,0,0,0|2,0,0]=3 383 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,0,1,0,0,0|2,0,0]=3 384 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,0,1,0,0,0|2,0,0]=3 385 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,0,1,0,0,0|3,0,0]=4 386 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,0,1,0,0,0|1,0,0]=2 387 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,0,1,0,0,0|2,0,0]=3 388 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,0,1,0,0,0|2,0,0]=3 389 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,0,1,0,0,0|2,0,0]=3 390 B6R0.1 CSC(C)CC#N 62a_100009813641_200000210301 [0,0,1,0,0,0|2,0,1]=4 391 B6R0.1 CSC(C)CC#N 62a_200000210301_100009813641 [0,0,1,0,0,0|2,0,1]=4 392 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,0,1,0,0,0|2,0,0]=3 393 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,0,1,0,0,0|2,0,0]=3 394 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,0,1,0,0,0|3,0,0]=4 395 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,0,1,0,0,0|3,0,0]=4 396 B6R0.1 C[C@@H](CC#N)N[13CH3] 2230a_100016994482_200025704644 [0,0,1,0,0,0|1,0,1]=3 397 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,0,1,0,0,0|3,0,0]=4 398 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,0,1,0,0,0|3,0,0]=4 399 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,0,1,0,0,0|1,0,0]=2 400 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,0,1,0,0,0|1,0,0]=2 401 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [0,0,1,0,0,0|3,0,0]=4 402 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [0,0,1,0,0,0|3,0,0]=4 403 B6R0.4 C#CCNC(C)C 2230a_100138425928_100000038162 [0,0,1,0,0,0|0,0,2]=3 404 B6R0.4 C#CCNC(C)C 34a_100000212058_100000210206 [0,0,1,0,0,0|0,0,2]=3 405 B6R0.4 C#CCNC(C)C 34a_100138425928_100000184674 [0,0,1,0,0,0|0,0,2]=3 406 B6R0.4 C#CCOC(C)C 34a_100000210247_100000210206 [0,0,1,0,0,0|1,0,2]=4 407 B6R0.4 C#CCOC(C)C 34a_100000212225_100000184674 [0,0,1,0,0,0|1,0,2]=4 408 B6R0.4 C#CCSC(C)C 62a_100000038162_100000210206 [0,0,1,0,0,0|1,0,2]=4 409 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,0,1,0,0,0|2,0,1]=4 410 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,0,1,0,0,0|2,0,1]=4 411 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,0,1,0,0,0|2,0,1]=4 412 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,0,1,0,0,0|2,0,1]=4 413 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,0,1,0,0,0|2,0,1]=4 414 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,0,1,0,0,0|2,0,1]=4 415 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,0,1,0,0,0|2,0,1]=4 416 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,0,1,0,0,0|2,0,1]=4 417 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,0,1,0,0,0|2,0,1]=4 418 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,0,1,0,0,0|2,0,1]=4 419 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,0,1,0,0,0|2,0,1]=4 420 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,0,1,0,0,0|2,0,1]=4 421 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,0,1,0,0,0|2,0,1]=4 422 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,0,1,0,0,0|2,0,1]=4 423 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,0,1,0,0,0|2,0,1]=4 424 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [0,0,1,0,0,0|0,0,2]=3 425 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [0,0,1,0,0,0|0,0,2]=3 426 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [0,0,1,0,0,0|0,0,2]=3 427 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [0,0,1,0,0,0|1,0,2]=4 428 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [0,0,1,0,0,0|1,0,2]=4 429 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [0,0,1,0,0,0|1,0,2]=4 430 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [0,0,1,0,0,0|1,0,2]=4 431 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [0,0,1,0,0,0|2,0,1]=4 432 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [0,0,1,0,0,0|2,0,1]=4 433 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [0,0,1,0,0,0|2,0,1]=4 434 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [0,0,1,0,0,0|2,0,1]=4 435 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,0,1,0,0,0|2,0,1]=4 436 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,0,1,0,0,0|2,0,1]=4 437 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,0,1,0,0,0|2,0,1]=4 438 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,0,1,0,0,0|2,0,1]=4 439 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,0,1,0,0,0|2,0,1]=4 440 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,0,1,0,0,0|2,0,1]=4 441 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,0,1,0,0,0|2,0,1]=4 442 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,0,1,0,0,0|2,0,1]=4 443 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,0,1,0,0,0|2,0,1]=4 444 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,0,1,0,0,0|2,0,1]=4 445 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,0,1,0,0,0|2,0,1]=4 446 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,0,1,0,0,0|2,0,1]=4 447 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [0,0,1,0,0,0|2,0,0]=3 448 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [0,0,1,0,0,0|3,0,0]=4 449 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [0,0,1,0,0,0|2,0,0]=3 450 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [0,0,1,0,0,0|2,0,0]=3 451 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [0,0,1,0,0,0|2,0,0]=3 452 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [0,0,1,0,0,0|2,0,0]=3 453 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [0,0,1,0,0,0|3,0,0]=4 454 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [0,0,1,0,0,0|3,0,0]=4 455 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [0,0,1,0,0,0|3,0,0]=4 456 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [0,0,1,0,0,0|3,0,0]=4 457 B6R0.4 CC(C)NCC#N 2230a_100138425928_100011215382 [0,0,1,0,0,0|1,0,1]=3 458 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [0,0,1,0,0,0|1,0,1]=3 459 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [0,0,1,0,0,0|1,0,1]=3 460 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [0,0,1,0,0,0|1,0,0]=2 461 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [0,0,1,0,0,0|1,0,0]=2 462 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [0,0,1,0,0,0|1,0,0]=2 463 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [0,0,1,0,0,0|1,0,0]=2 464 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [0,0,1,0,0,0|1,0,0]=2 465 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [0,0,1,0,0,0|1,0,0]=2 466 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [0,0,1,0,0,0|1,0,0]=2 467 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [0,0,1,0,0,0|2,0,1]=4 468 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [0,0,1,0,0,0|2,0,0]=3 469 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [0,0,1,0,0,0|2,0,0]=3 470 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [0,0,1,0,0,0|2,0,0]=3 471 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [0,0,1,0,0,0|2,0,0]=3 472 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [0,0,1,0,0,0|2,0,0]=3 473 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [0,0,1,0,0,0|2,0,0]=3 474 B6R0.4 CC(C)SCC#N 62a_100000210206_100011215382 [0,0,1,0,0,0|2,0,1]=4 475 B6R0.4 CC(C)SCC#N 62a_100011215382_100000210206 [0,0,1,0,0,0|2,0,1]=4 476 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [0,0,1,0,0,0|2,0,1]=4 477 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [0,0,1,0,0,0|2,0,1]=4 478 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [0,0,1,0,0,0|2,0,0]=3 479 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [0,0,1,0,0,0|2,0,0]=3 480 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [0,0,1,0,0,0|2,0,0]=3 481 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [0,0,1,0,0,0|2,0,0]=3 482 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [0,0,1,0,0,0|3,0,0]=4 483 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [0,0,1,0,0,0|2,0,0]=3 484 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [0,0,1,0,0,0|2,0,0]=3 485 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [0,0,1,0,0,0|2,0,0]=3 486 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [0,0,1,0,0,0|3,0,0]=4 487 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [0,0,1,0,0,0|3,0,0]=4 488 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [0,0,1,0,0,0|3,0,0]=4 489 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [0,0,1,0,0,0|1,0,1]=3 490 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,0,1,0,0,0|1,0,1]=3 491 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,0,1,0,0,0|1,0,1]=3 492 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,0,1,0,0,0|1,0,1]=3 493 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [0,0,1,0,0,0|2,0,0]=3 494 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [0,0,1,0,0,0|2,0,0]=3 495 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [0,0,1,0,0,0|2,0,0]=3 496 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [0,0,1,0,0,0|2,0,0]=3 497 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [0,0,1,0,0,0|2,0,0]=3 498 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [0,0,1,0,0,0|2,0,0]=3 499 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,0,1,0,0,0|1,0,1]=3 500 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,0,1,0,0,0|1,0,1]=3 501 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,0,1,0,0,0|1,0,1]=3 502 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,0,1,0,0,0|1,0,1]=3 503 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [0,0,1,0,0,0|0,0,0]=1 504 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [0,0,1,0,0,0|0,0,0]=1 505 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [0,0,1,0,0,0|1,0,0]=2 506 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [0,0,1,0,0,0|1,0,0]=2 507 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [0,0,1,0,0,0|1,0,0]=2 508 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [0,0,1,0,0,0|1,0,0]=2 509 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,0,1,0,0,0|2,0,1]=4 510 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,0,1,0,0,0|2,0,1]=4 511 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [0,0,1,0,0,0|2,0,0]=3 512 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [0,0,1,0,0,0|2,0,0]=3 513 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [0,0,1,0,0,0|2,0,0]=3 514 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [0,0,1,0,0,0|2,0,0]=3 515 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [0,0,1,0,0,0|2,0,0]=3 516 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [0,0,1,0,0,0|2,0,0]=3 517 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [0,0,1,0,0,0|2,0,0]=3 518 B6R0.4 CCNCC(F)F 2230a_100015525214_100011934356 [0,0,1,0,0,0|3,0,0]=4 519 B6R0.4 CCNCC(F)F 34a_100000765723_100000210202 [0,0,1,0,0,0|3,0,0]=4 520 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [0,0,1,0,0,0|2,0,0]=3 521 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,0,1,0,0,0|2,0,1]=4 522 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,0,1,0,0,0|2,0,1]=4 523 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,0,1,0,0,0|2,0,1]=4 524 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,0,1,0,0,0|2,0,1]=4 525 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,0,1,0,0,0|2,0,1]=4 526 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [0,0,1,0,0,0|2,0,0]=3 527 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [0,0,1,0,0,0|2,0,0]=3 528 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [0,0,1,0,0,0|2,0,0]=3 529 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [0,0,1,0,0,0|2,0,0]=3 530 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,0,1,0,0,0|2,0,0]=3 531 B6R0.4 CCOCC(F)F 34a_100000743014_100000210202 [0,0,1,0,0,0|3,0,0]=4 532 B6R0.4 CCOCC(F)F 34a_100121572206_100011934356 [0,0,1,0,0,0|3,0,0]=4 533 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [0,0,1,0,0,0|3,0,0]=4 534 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [0,0,1,0,0,0|2,0,0]=3 535 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [0,0,1,0,0,0|1,0,0]=2 536 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,0,1,0,0,0|2,0,0]=3 537 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,0,1,0,0,0|2,0,1]=4 538 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,0,1,0,0,0|2,0,1]=4 539 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,0,1,0,0,0|2,0,1]=4 540 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,0,1,0,0,0|2,0,1]=4 541 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [0,0,1,0,0,0|2,0,0]=3 542 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [0,0,1,0,0,0|2,0,0]=3 543 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [0,0,1,0,0,0|2,0,0]=3 544 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [0,0,1,0,0,0|2,0,0]=3 545 B6R0.4 CCSCC(F)F 62a_100000210202_100011934356 [0,0,1,0,0,0|3,0,0]=4 546 B6R0.4 CCSCC(F)F 62a_100011934356_100000210202 [0,0,1,0,0,0|3,0,0]=4 547 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [0,0,1,0,0,0|2,0,0]=3 548 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [0,0,1,0,0,0|2,0,0]=3 549 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [0,0,1,0,0,0|3,0,0]=4 550 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [0,0,1,0,0,0|3,0,0]=4 551 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [0,0,1,0,0,0|3,0,0]=4 552 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [0,0,1,0,0,0|3,0,0]=4 553 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [0,0,1,0,0,0|3,0,0]=4 554 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [0,0,1,0,0,0|3,0,0]=4 555 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [0,0,1,0,0,0|3,0,0]=4 556 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [0,0,1,0,0,0|3,0,0]=4 557 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [0,0,1,0,0,0|3,0,0]=4 558 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [0,0,1,0,0,0|2,0,1]=4 559 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [0,0,1,0,0,0|2,0,1]=4 560 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [0,0,1,0,0,0|2,0,1]=4 561 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [0,0,1,0,0,0|2,0,1]=4 562 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,0,1,0,0,0|2,0,1]=4 563 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,0,1,0,0,0|2,0,1]=4 564 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,0,1,0,0,0|2,0,1]=4 565 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,0,1,0,0,0|2,0,1]=4 566 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [0,0,1,0,0,0|2,0,0]=3 567 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [0,0,1,0,0,0|2,0,0]=3 568 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [0,0,1,0,0,0|2,0,0]=3 569 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [0,0,1,0,0,0|2,0,0]=3 570 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [0,0,1,0,0,0|2,0,0]=3 571 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [0,0,1,0,0,0|2,0,0]=3 572 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [0,0,1,0,0,0|2,0,0]=3 573 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [0,0,1,0,0,0|2,0,0]=3 574 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [0,0,1,0,0,0|3,0,0]=4 575 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [0,0,1,0,0,0|2,0,0]=3 576 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [0,0,1,0,0,0|2,0,0]=3 577 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [0,0,1,0,0,0|2,0,1]=4 578 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [0,0,1,0,0,0|2,0,1]=4 579 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,0,1,0,0,0|2,0,1]=4 580 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,0,1,0,0,0|2,0,1]=4 581 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,0,1,0,0,0|2,0,1]=4 582 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,0,1,0,0,0|2,0,1]=4 583 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,0,1,0,0,0|2,0,1]=4 584 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,0,1,0,0,0|2,0,1]=4 585 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,0,1,0,0,0|2,0,1]=4 586 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,0,1,0,0,0|2,0,1]=4 587 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [0,0,1,0,0,0|2,0,0]=3 588 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [0,0,1,0,0,0|2,0,0]=3 589 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [0,0,1,0,0,0|2,0,0]=3 590 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [0,0,1,0,0,0|2,0,0]=3 591 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,0,1,0,0,0|2,0,0]=3 592 B6R0.4 COCCC(F)F 34a_100103093639_200000210301 [0,0,1,0,0,0|3,0,0]=4 593 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [0,0,1,0,0,0|3,0,0]=4 594 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [0,0,1,0,0,0|3,0,0]=4 595 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [0,0,1,0,0,0|3,0,0]=4 596 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [0,0,1,0,0,0|3,0,0]=4 597 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [0,0,1,0,0,0|3,0,0]=4 598 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [0,0,1,0,0,0|3,0,0]=4 599 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [0,0,1,0,0,0|1,0,0]=2 600 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [0,0,1,0,0,0|1,0,0]=2 601 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [0,0,1,0,0,0|2,0,0]=3 602 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [0,0,1,0,0,0|2,0,0]=3 603 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [0,0,1,0,0,0|2,0,0]=3 604 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [0,0,1,0,0,0|2,0,1]=4 605 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [0,0,1,0,0,0|2,0,1]=4 606 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,0,1,0,0,0|2,0,1]=4 607 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,0,1,0,0,0|2,0,1]=4 608 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,0,1,0,0,0|2,0,1]=4 609 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,0,1,0,0,0|2,0,1]=4 610 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,0,1,0,0,0|2,0,1]=4 611 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,0,1,0,0,0|2,0,1]=4 612 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,0,1,0,0,0|2,0,1]=4 613 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [0,0,1,0,0,0|2,0,0]=3 614 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [0,0,1,0,0,0|2,0,0]=3 615 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [0,0,1,0,0,0|2,0,0]=3 616 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [0,0,1,0,0,0|2,0,0]=3 617 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [0,0,1,0,0,0|3,0,0]=4 618 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [0,0,1,0,0,0|3,0,0]=4 619 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [0,0,1,0,0,0|3,0,0]=4 620 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [0,0,1,0,0,0|3,0,0]=4 621 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [0,0,1,0,0,0|3,0,0]=4 622 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [0,0,1,0,0,0|3,0,0]=4 623 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [0,0,1,0,0,0|3,0,0]=4 624 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [0,0,1,0,0,0|1,0,0]=2 625 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [0,0,1,0,0,0|1,0,0]=2 626 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [0,0,1,0,0,0|2,0,0]=3 627 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [0,0,1,0,0,0|2,0,0]=3 628 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [0,0,1,0,0,0|2,0,0]=3 629 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [0,0,1,0,0,0|2,0,0]=3 630 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [0,0,1,0,0,0|2,0,0]=3 631 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [0,0,1,0,0,0|3,0,0]=4 632 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [0,0,1,0,0,0|1,0,0]=2 633 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [0,0,1,0,0,0|2,0,0]=3 634 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [0,0,1,0,0,0|3,0,0]=4 635 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [0,0,1,0,0,0|3,0,0]=4 636 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,0,1,0,0,0|2,0,1]=4 637 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,0,1,0,0,0|2,0,1]=4 638 B6R0.4 [13CH3]OCCC(F)F 34a_100103093639_200025704644 [0,0,1,0,0,0|3,0,0]=4 639 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,0,1,0,0,0|2,0,1]=4 640 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,0,1,0,0,0|2,0,1]=4 641 B6R0.6 C#CCCCNC 2230a_106832991635_100000731252 [0,0,1,0,0,0|2,0,1]=4 642 B6R0.6 C#CCCCNC 34a_100000718082_200000210301 [0,0,1,0,0,0|2,0,1]=4 643 B6R0.6 C#CCCCNC 34a_100102657272_100000695029 [0,0,1,0,0,0|2,0,1]=4 644 B6R0.6 C#CCCCNC 7a_106832991635_100011215417 [0,0,1,0,0,0|2,0,1]=4 645 B6R0.6 C#CCCCN[13CH3] 34a_100000718082_200025704644 [0,0,1,0,0,0|2,0,1]=4 646 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [0,0,1,0,0,0|2,0,1]=4 647 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [0,0,1,0,0,0|2,0,1]=4 648 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [0,0,1,0,0,0|2,0,1]=4 649 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [0,0,1,0,0,0|2,0,1]=4 650 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [0,0,1,0,0,0|2,0,1]=4 651 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [0,0,1,0,0,0|2,0,1]=4 652 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [0,0,1,0,0,0|2,0,1]=4 653 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [0,0,1,0,0,0|2,0,1]=4 654 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [0,0,1,0,0,0|2,0,1]=4 655 B6R0.6 C#CCCNCC 2230a_100015525214_100000688953 [0,0,1,0,0,0|0,0,2]=3 656 B6R0.6 C#CCCNCC 34a_100000755551_100000210202 [0,0,1,0,0,0|0,0,2]=3 657 B6R0.6 C#CCCNCF 34a_100000755551_100015361967 [0,0,1,0,0,0|1,0,2]=4 658 B6R0.6 C#CCCOCC 34a_100011215631_100000210202 [0,0,1,0,0,0|1,0,2]=4 659 B6R0.6 C#CCCOCC 34a_100121572206_100000688953 [0,0,1,0,0,0|1,0,2]=4 660 B6R0.6 C#CCCSCC 62a_100000210202_100000688953 [0,0,1,0,0,0|1,0,2]=4 661 B6R0.6 C#CCCSCC 62a_100000688953_100000210202 [0,0,1,0,0,0|1,0,2]=4 662 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [0,0,1,0,0,0|2,0,1]=4 663 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [0,0,1,0,0,0|2,0,1]=4 664 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [0,0,1,0,0,0|2,0,1]=4 665 B6R0.6 C#CCOCCN 34a_100000210304_100000184674 [0,0,1,0,0,0|1,0,2]=4 666 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [0,0,1,0,0,0|2,0,1]=4 667 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [0,0,1,0,0,0|2,0,1]=4 668 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [0,0,1,0,0,0|2,0,1]=4 669 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [0,0,1,0,0,0|1,0,2]=4 670 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [0,0,1,0,0,0|1,0,2]=4 671 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [0,0,1,0,0,0|1,0,2]=4 672 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [0,0,1,0,0,0|1,0,2]=4 673 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [0,0,1,0,0,0|2,0,1]=4 674 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [0,0,1,0,0,0|2,0,1]=4 675 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [0,0,1,0,0,0|2,0,1]=4 676 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [0,0,1,0,0,0|2,0,1]=4 677 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [0,0,1,0,0,0|2,0,1]=4 678 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [0,0,1,0,0,0|2,0,1]=4 679 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [0,0,1,0,0,0|2,0,1]=4 680 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [0,0,1,0,0,0|2,0,1]=4 681 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [0,0,1,0,0,0|2,0,1]=4 682 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [0,0,1,0,0,0|2,0,1]=4 683 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [0,0,1,0,0,0|2,0,1]=4 684 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [0,0,1,0,0,0|2,0,1]=4 685 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [0,0,1,0,0,0|2,0,1]=4 686 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [0,0,1,0,0,0|2,0,1]=4 687 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [0,0,1,0,0,0|2,0,1]=4 688 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [0,0,1,0,0,0|2,0,1]=4 689 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [0,0,1,0,0,0|0,0,2]=3 690 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [0,0,1,0,0,0|0,0,2]=3 691 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [0,0,1,0,0,0|1,0,2]=4 692 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [0,0,1,0,0,0|1,0,2]=4 693 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [0,0,1,0,0,0|1,0,2]=4 694 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [0,0,1,0,0,0|1,0,2]=4 695 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,0,1,0,0,0|2,0,1]=4 696 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,0,1,0,0,0|2,0,1]=4 697 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,0,1,0,0,0|2,0,1]=4 698 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [0,0,1,0,0,0|1,0,2]=4 699 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,0,1,0,0,0|2,0,1]=4 700 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,0,1,0,0,0|2,0,1]=4 701 B6R0.6 CC#CCCOC 34a_100000750427_200000210301 [0,0,1,0,0,0|2,0,1]=4 702 B6R0.6 CC#CCCO[13CH3] 34a_100000750427_200025704644 [0,0,1,0,0,0|2,0,1]=4 703 B6R0.6 CC#CCNCC 2230a_100000685387_100000210202 [0,0,1,0,0,0|0,0,2]=3 704 B6R0.6 CC#CCNCC 2230a_100015525214_100000748600 [0,0,1,0,0,0|0,0,2]=3 705 B6R0.6 CC#CCNCC 34a_100000685387_100000210202 [0,0,1,0,0,0|0,0,2]=3 706 B6R0.6 CC#CCNCF 34a_100000685387_100015361967 [0,0,1,0,0,0|1,0,2]=4 707 B6R0.6 CC#CCOCC 34a_100000761923_100000210202 [0,0,1,0,0,0|1,0,2]=4 708 B6R0.6 CC#CCOCC 34a_100121572206_100000748600 [0,0,1,0,0,0|1,0,2]=4 709 B6R0.6 CC#CCSCC 62a_100000210202_100000748600 [0,0,1,0,0,0|1,0,2]=4 710 B6R0.6 CC#CCSCC 62a_100000748600_100000210202 [0,0,1,0,0,0|1,0,2]=4 711 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [0,0,1,0,0,0|2,0,1]=4 712 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [0,0,1,0,0,0|2,0,1]=4 713 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [0,0,1,0,0,0|2,0,1]=4 714 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [0,0,1,0,0,0|2,0,1]=4 715 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [0,0,1,0,0,0|2,0,1]=4 716 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [0,0,1,0,0,0|2,0,1]=4 717 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [0,0,1,0,0,0|2,0,1]=4 718 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [0,0,1,0,0,0|2,0,1]=4 719 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [0,0,1,0,0,0|2,0,1]=4 720 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [0,0,1,0,0,0|2,0,1]=4 721 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [0,0,1,0,0,0|0,0,2]=3 722 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [0,0,1,0,0,0|1,0,2]=4 723 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [0,0,1,0,0,0|1,0,2]=4 724 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [0,0,1,0,0,0|1,0,2]=4 725 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [0,0,1,0,0,0|1,0,2]=4 726 B6R0.6 CCC#CCNC 2230a_106832991635_100009813939 [0,0,1,0,0,0|2,0,1]=4 727 B6R0.6 CCC#CCNC 34a_100102657272_100009813939 [0,0,1,0,0,0|2,0,1]=4 728 B6R0.6 CCC#CCNC 7a_106832991635_100009813939 [0,0,1,0,0,0|2,0,1]=4 729 B6R0.6 CCC#CCOC 34a_100000032950_200000210301 [0,0,1,0,0,0|2,0,1]=4 730 B6R0.6 CCC#CCOC 34a_100138415774_100009813939 [0,0,1,0,0,0|2,0,1]=4 731 B6R0.6 CCC#CCO[13CH3] 34a_100000032950_200025704644 [0,0,1,0,0,0|2,0,1]=4 732 B6R0.6 CCC#CCSC 62a_100009813939_200000210301 [0,0,1,0,0,0|2,0,1]=4 733 B6R0.6 CCC#CCSC 62a_200000210301_100009813939 [0,0,1,0,0,0|2,0,1]=4 734 B6R0.6 CCC#CCS[13CH3] 62a_100009813939_200025704644 [0,0,1,0,0,0|2,0,1]=4 735 B6R0.6 CCC#CCS[13CH3] 62a_200025704644_100009813939 [0,0,1,0,0,0|2,0,1]=4 736 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [0,0,1,0,0,0|1,0,1]=3 737 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [0,0,1,0,0,0|2,0,0]=3 738 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [0,0,1,0,0,0|2,0,0]=3 739 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [0,0,1,0,0,0|2,0,0]=3 740 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [0,0,1,0,0,0|2,0,0]=3 741 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [0,0,1,0,0,0|2,0,0]=3 742 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [0,0,1,0,0,0|2,0,0]=3 743 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [0,0,1,0,0,0|2,0,0]=3 744 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [0,0,1,0,0,0|2,0,0]=3 745 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [0,0,1,0,0,0|2,0,0]=3 746 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [0,0,1,0,0,0|2,0,0]=3 747 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [0,0,1,0,0,0|2,0,0]=3 748 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [0,0,1,0,0,0|2,0,0]=3 749 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [0,0,1,0,0,0|2,0,0]=3 750 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [0,0,1,0,0,0|2,0,0]=3 751 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [0,0,1,0,0,0|0,0,0]=1 752 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [0,0,1,0,0,0|0,0,0]=1 753 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [0,0,1,0,0,0|0,0,0]=1 754 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [0,0,1,0,0,0|1,0,0]=2 755 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [0,0,1,0,0,0|1,0,0]=2 756 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [0,0,1,0,0,0|1,0,0]=2 757 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [0,0,1,0,0,0|1,0,0]=2 758 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [0,0,1,0,0,0|2,0,0]=3 759 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [0,0,1,0,0,0|2,0,0]=3 760 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [0,0,1,0,0,0|1,0,0]=2 761 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [0,0,1,0,0,0|1,0,0]=2 762 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [0,0,1,0,0,0|2,0,0]=3 763 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [0,0,1,0,0,0|2,0,0]=3 764 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [0,0,1,0,0,0|2,0,0]=3 765 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [0,0,1,0,0,0|2,0,0]=3 766 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [0,0,1,0,0,0|2,0,0]=3 767 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,0,1,0,0,0|2,0,1]=4 768 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [0,0,1,0,0,0|2,0,0]=3 769 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [0,0,1,0,0,0|2,0,0]=3 770 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [0,0,1,0,0,0|2,0,0]=3 771 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [0,0,1,0,0,0|1,0,0]=2 772 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [0,0,1,0,0,0|2,0,0]=3 773 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [0,0,1,0,0,0|3,0,0]=4 774 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [0,0,1,0,0,0|1,0,2]=4 775 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [0,0,1,0,0,0|1,0,2]=4 776 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,0,1,0,0,0|2,0,1]=4 777 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,0,1,0,0,0|2,0,1]=4 778 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [0,0,1,0,0,0|2,0,0]=3 779 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [0,0,1,0,0,0|2,0,0]=3 780 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [0,0,1,0,0,0|2,0,0]=3 781 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [0,0,1,0,0,0|2,0,0]=3 782 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [0,0,1,0,0,0|2,0,0]=3 783 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [0,0,1,0,0,0|3,0,0]=4 784 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [0,0,1,0,0,0|3,0,0]=4 785 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [0,0,1,0,0,0|3,0,0]=4 786 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [0,0,1,0,0,0|3,0,0]=4 787 B6R0.6 CCNCCC#N 2230a_100015525214_100011215226 [0,0,1,0,0,0|1,0,1]=3 788 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [0,0,1,0,0,0|1,0,0]=2 789 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [0,0,1,0,0,0|1,0,0]=2 790 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [0,0,1,0,0,0|1,0,0]=2 791 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [0,0,1,0,0,0|1,0,0]=2 792 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [0,0,1,0,0,0|1,0,0]=2 793 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [0,0,1,0,0,0|1,0,0]=2 794 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [0,0,1,0,0,0|1,0,0]=2 795 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [0,0,1,0,0,0|1,0,0]=2 796 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [0,0,1,0,0,0|2,0,0]=3 797 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [0,0,1,0,0,0|2,0,0]=3 798 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [0,0,1,0,0,0|2,0,0]=3 799 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [0,0,1,0,0,0|2,0,0]=3 800 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [0,0,1,0,0,0|1,0,0]=2 801 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [0,0,1,0,0,0|2,0,0]=3 802 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [0,0,1,0,0,0|2,0,0]=3 803 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [0,0,1,0,0,0|2,0,0]=3 804 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [0,0,1,0,0,0|2,0,0]=3 805 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [0,0,1,0,0,0|2,0,0]=3 806 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [0,0,1,0,0,0|2,0,0]=3 807 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [0,0,1,0,0,0|2,0,0]=3 808 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [0,0,1,0,0,0|2,0,0]=3 809 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [0,0,1,0,0,0|2,0,0]=3 810 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [0,0,1,0,0,0|2,0,0]=3 811 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [0,0,1,0,0,0|2,0,0]=3 812 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [0,0,1,0,0,0|2,0,0]=3 813 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [0,0,1,0,0,0|2,0,0]=3 814 B6R0.6 CCOCCON 34a_100000700252_100000210202 [0,0,1,0,0,0|2,0,0]=3 815 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [0,0,1,0,0,0|2,0,0]=3 816 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [0,0,1,0,0,0|2,0,0]=3 817 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [0,0,1,0,0,0|2,0,0]=3 818 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [0,0,1,0,0,0|2,0,0]=3 819 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [0,0,1,0,0,0|2,0,0]=3 820 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [0,0,1,0,0,0|2,0,0]=3 821 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [0,0,1,0,0,0|2,0,0]=3 822 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [0,0,1,0,0,0|2,0,0]=3 823 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [0,0,1,0,0,0|2,0,0]=3 824 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [0,0,1,0,0,0|2,0,0]=3 825 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [0,0,1,0,0,0|2,0,0]=3 826 B6R0.6 CCOCSCF 62a_100000739092_100015361967 [0,0,1,0,0,0|3,0,0]=4 827 B6R0.6 CCOCSCF 62a_100015361967_100000739092 [0,0,1,0,0,0|3,0,0]=4 828 B6R0.6 CCSCCC#N 62a_100000210202_100011215226 [0,0,1,0,0,0|1,0,2]=4 829 B6R0.6 CCSCCC#N 62a_100011215226_100000210202 [0,0,1,0,0,0|1,0,2]=4 830 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [0,0,1,0,0,0|2,0,0]=3 831 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [0,0,1,0,0,0|2,0,0]=3 832 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [0,0,1,0,0,0|2,0,0]=3 833 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [0,0,1,0,0,0|2,0,0]=3 834 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [0,0,1,0,0,0|2,0,0]=3 835 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [0,0,1,0,0,0|2,0,0]=3 836 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [0,0,1,0,0,0|2,0,0]=3 837 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [0,0,1,0,0,0|2,0,0]=3 838 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [0,0,1,0,0,0|2,0,0]=3 839 B6R0.6 CCSCCOC 34a_100000212035_200000210301 [0,0,1,0,0,0|2,0,0]=3 840 B6R0.6 CCSCCOC 34a_100138415774_100000757381 [0,0,1,0,0,0|2,0,0]=3 841 B6R0.6 CCSCCOC 62a_100000210202_100000233755 [0,0,1,0,0,0|2,0,0]=3 842 B6R0.6 CCSCCOC 62a_100000233755_100000210202 [0,0,1,0,0,0|2,0,0]=3 843 B6R0.6 CCSCCOC 7a_100000212035_200000210301 [0,0,1,0,0,0|2,0,0]=3 844 B6R0.6 CCSCCO[13CH3] 34a_100000212035_200025704644 [0,0,1,0,0,0|2,0,0]=3 845 B6R0.6 CCSCCO[13CH3] 7a_100000212035_200025704644 [0,0,1,0,0,0|2,0,0]=3 846 B6R0.6 CCSCCSC 62a_100000210202_100000751147 [0,0,1,0,0,0|2,0,0]=3 847 B6R0.6 CCSCCSC 62a_100000212216_100000210202 [0,0,1,0,0,0|2,0,0]=3 848 B6R0.6 CCSCCSC 62a_100000757381_200000210301 [0,0,1,0,0,0|2,0,0]=3 849 B6R0.6 CCSCCSC 62a_200000210301_100000757381 [0,0,1,0,0,0|2,0,0]=3 850 B6R0.6 CCSCCS[13CH3] 62a_100000757381_200025704644 [0,0,1,0,0,0|2,0,0]=3 851 B6R0.6 CCSCCS[13CH3] 62a_200025704644_100000757381 [0,0,1,0,0,0|2,0,0]=3 852 B6R0.6 CNCCCC#N 2230a_106832991635_100000687738 [0,0,1,0,0,0|1,0,2]=4 853 B6R0.6 CNCCCC#N 7a_106832991635_100000687738 [0,0,1,0,0,0|1,0,2]=4 854 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [0,0,1,0,0,0|2,0,1]=4 855 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [0,0,1,0,0,0|2,0,1]=4 856 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [0,0,1,0,0,0|2,0,0]=3 857 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [0,0,1,0,0,0|2,0,0]=3 858 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [0,0,1,0,0,0|2,0,0]=3 859 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [0,0,1,0,0,0|2,0,0]=3 860 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [0,0,1,0,0,0|2,0,0]=3 861 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [0,0,1,0,0,0|2,0,0]=3 862 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [0,0,1,0,0,0|2,0,0]=3 863 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [0,0,1,0,0,0|2,0,0]=3 864 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [0,0,1,0,0,0|3,0,0]=4 865 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [0,0,1,0,0,0|3,0,0]=4 866 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [0,0,1,0,0,0|3,0,0]=4 867 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [0,0,1,0,0,0|3,0,0]=4 868 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [0,0,1,0,0,0|3,0,0]=4 869 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [0,0,1,0,0,0|3,0,0]=4 870 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [0,0,1,0,0,0|3,0,0]=4 871 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [0,0,1,0,0,0|2,0,0]=3 872 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [0,0,1,0,0,0|2,0,0]=3 873 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [0,0,1,0,0,0|2,0,0]=3 874 B6R0.6 COCCCCF 34a_100011995726_200000210301 [0,0,1,0,0,0|2,0,0]=3 875 B6R0.6 COCCCCF 34a_100138415774_100000729493 [0,0,1,0,0,0|2,0,0]=3 876 B6R0.6 COCCCCF 7a_100011995726_200000210301 [0,0,1,0,0,0|2,0,0]=3 877 B6R0.6 COCCCCI 34a_200012148704_200000210301 [0,0,1,0,0,0|2,0,0]=3 878 B6R0.6 COCCCCN 34a_100000750430_200000210301 [0,0,1,0,0,0|1,0,0]=2 879 B6R0.6 COCCCCO 34a_100138415774_100011216708 [0,0,1,0,0,0|2,0,0]=3 880 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [0,0,1,0,0,0|3,0,0]=4 881 B6R0.6 COCCCOC 34a_100000740835_200000210301 [0,0,1,0,0,0|3,0,0]=4 882 B6R0.6 COCCCOC 34a_100138415774_100000740836 [0,0,1,0,0,0|3,0,0]=4 883 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [0,0,1,0,0,0|3,0,0]=4 884 B6R0.6 COCCCSC 34a_100000690336_200000210301 [0,0,1,0,0,0|3,0,0]=4 885 B6R0.6 COCCCSC 62a_100000709357_200000210301 [0,0,1,0,0,0|3,0,0]=4 886 B6R0.6 COCCCSC 62a_200000210301_100000709357 [0,0,1,0,0,0|3,0,0]=4 887 B6R0.6 COCCCSC 7a_100000690336_200000210301 [0,0,1,0,0,0|3,0,0]=4 888 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [0,0,1,0,0,0|3,0,0]=4 889 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [0,0,1,0,0,0|3,0,0]=4 890 B6R0.6 COCCOCF 34a_100000210237_100015361967 [0,0,1,0,0,0|3,0,0]=4 891 B6R0.6 COCCSCF 62a_100000233755_100015361967 [0,0,1,0,0,0|3,0,0]=4 892 B6R0.6 COCCSCF 62a_100015361967_100000233755 [0,0,1,0,0,0|3,0,0]=4 893 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [0,0,1,0,0,0|3,0,0]=4 894 B6R0.6 COCSCCF 62a_100000766300_100011217306 [0,0,1,0,0,0|3,0,0]=4 895 B6R0.6 COCSCCF 62a_100011217306_100000766300 [0,0,1,0,0,0|3,0,0]=4 896 B6R0.6 COCSCCO 62a_100000211926_100000766300 [0,0,1,0,0,0|3,0,0]=4 897 B6R0.6 COCSCCO 62a_100000766300_100000211926 [0,0,1,0,0,0|3,0,0]=4 898 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [0,0,1,0,0,0|1,0,2]=4 899 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [0,0,1,0,0,0|1,0,2]=4 900 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [0,0,1,0,0,0|2,0,1]=4 901 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [0,0,1,0,0,0|2,0,1]=4 902 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [0,0,1,0,0,0|2,0,0]=3 903 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [0,0,1,0,0,0|2,0,0]=3 904 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [0,0,1,0,0,0|2,0,0]=3 905 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [0,0,1,0,0,0|2,0,0]=3 906 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [0,0,1,0,0,0|3,0,0]=4 907 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [0,0,1,0,0,0|3,0,0]=4 908 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [0,0,1,0,0,0|3,0,0]=4 909 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [0,0,1,0,0,0|3,0,0]=4 910 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [0,0,1,0,0,0|3,0,0]=4 911 B6R0.6 CSCCSCF 62a_100000212216_100015361967 [0,0,1,0,0,0|3,0,0]=4 912 B6R0.6 CSCCSCF 62a_100015361967_100000751147 [0,0,1,0,0,0|3,0,0]=4 913 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [0,0,1,0,0,0|3,0,0]=4 914 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [0,0,1,0,0,0|3,0,0]=4 915 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [0,0,1,0,0,0|3,0,0]=4 916 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [0,0,1,0,0,0|3,0,0]=4 917 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [0,0,1,0,0,0|2,0,0]=3 918 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [0,0,1,0,0,0|3,0,0]=4 919 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [0,0,1,0,0,0|3,0,0]=4 920 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [0,0,1,0,0,0|3,0,0]=4 921 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [0,0,1,0,0,0|3,0,0]=4 922 B6R0.6 FCCCNCF 34a_100015189416_100015361967 [0,0,1,0,0,0|2,0,0]=3 923 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [0,0,1,0,0,0|3,0,0]=4 924 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [0,0,1,0,0,0|3,0,0]=4 925 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [0,0,1,0,0,0|3,0,0]=4 926 B6R0.6 FCCNCCF 34a_100000724931_100011217306 [0,0,1,0,0,0|3,0,0]=4 927 B6R0.6 FCCOCCBr 34a_100000211926_100011217306 [0,0,1,0,0,0|3,0,0]=4 928 B6R0.6 FCCSCCF 62a_100011217306_100011217306 [0,0,1,0,0,0|3,0,0]=4 929 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [0,0,1,0,0,0|3,0,0]=4 930 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [0,0,1,0,0,0|3,0,0]=4 931 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [0,0,1,0,0,0|2,0,0]=3 932 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [0,0,1,0,0,0|2,0,1]=4 933 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [0,0,1,0,0,0|2,0,0]=3 934 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [0,0,1,0,0,0|2,0,0]=3 935 B6R0.6 NOCCOCF 34a_100000700252_100015361967 [0,0,1,0,0,0|3,0,0]=4 936 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [0,0,1,0,0,0|3,0,0]=4 937 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [0,0,1,0,0,0|3,0,0]=4 938 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [0,0,1,0,0,0|3,0,0]=4 939 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [0,0,1,0,0,0|3,0,0]=4 940 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [0,0,1,0,0,0|3,0,0]=4 941 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [0,0,1,0,0,0|3,0,0]=4 942 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [0,0,1,0,0,0|3,0,0]=4 943 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [0,0,1,0,0,0|3,0,0]=4 944 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [0,0,1,0,0,0|3,0,0]=4 945 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [0,0,1,0,0,0|3,0,0]=4 946 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [0,0,1,0,0,0|3,0,0]=4 947 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [0,0,1,0,0,0|2,0,0]=3 948 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [0,0,1,0,0,0|2,0,0]=3 949 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [0,0,1,0,0,0|2,0,0]=3 950 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [0,0,1,0,0,0|2,0,0]=3 951 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [0,0,1,0,0,0|2,0,0]=3 952 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [0,0,1,0,0,0|2,0,0]=3 953 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [0,0,1,0,0,0|2,0,0]=3 954 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [0,0,1,0,0,0|2,0,0]=3 955 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [0,0,1,0,0,0|1,0,0]=2 956 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [0,0,1,0,0,0|1,0,2]=4 957 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [0,0,1,0,0,0|1,0,2]=4 958 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [0,0,1,0,0,0|2,0,1]=4 959 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [0,0,1,0,0,0|2,0,1]=4 960 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [0,0,1,0,0,0|2,0,0]=3 961 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [0,0,1,0,0,0|2,0,0]=3 962 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [0,0,1,0,0,0|2,0,0]=3 963 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [0,0,1,0,0,0|2,0,0]=3 964 B8R2.18 CN1CC2CC2C1 2230a_100000741873_200000210301 [0,0,0,1,0,0|2,0,0]=3 965 B8R2.18 CN1CC2CC2C1 269982a_100000741873_200000210301 [0,0,0,1,0,0|2,0,0]=3 966 B8R2.18 CN1CC2CC2C1 34a_100000741873_200000210301 [0,0,0,1,0,0|2,0,0]=3 967 B8R2.18 [13CH3]N1CC2CC2C1 2230a_100000741873_200025704644 [0,0,0,1,0,0|2,0,0]=3 968 B8R2.18 [13CH3]N1CC2CC2C1 269982a_100000741873_200025704644 [0,0,0,1,0,0|2,0,0]=3 969 B8R2.18 [13CH3]N1CC2CC2C1 34a_100000741873_200025704644 [0,0,0,1,0,0|2,0,0]=3 970 B6R1.2 CN1CC=CC1 269982a_100015195280_200000210301 [0,0,0,0,1,0|1,0,2]=4 971 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [0,0,0,0,1,0|1,0,0]=2 972 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [0,0,0,0,1,0|1,0,0]=2 973 B6R1.2 CN1CCSC1 2230a_100011215254_200000210301 [0,0,0,0,1,0|2,0,0]=3 974 B6R1.2 CN1CCSC1 269982a_100011215254_200000210301 [0,0,0,0,1,0|2,0,0]=3 975 B6R1.2 [13CH3]N1CC=CC1 269982a_100015195280_200025704644 [0,0,0,0,1,0|1,0,2]=4 976 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [0,0,0,0,1,0|1,0,0]=2 977 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [0,0,0,0,1,0|1,0,0]=2 978 B6R1.2 [13CH3]N1CCSC1 2230a_100011215254_200025704644 [0,0,0,0,1,0|2,0,0]=3 979 B6R1.2 [13CH3]N1CCSC1 269982a_100011215254_200025704644 [0,0,0,0,1,0|2,0,0]=3 980 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [0,0,0,0,0,1|2,0,0]=3 981 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [0,0,0,0,0,1|2,0,0]=3 982 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [0,0,0,0,0,1|2,0,0]=3 983 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [0,0,0,0,0,1|2,0,0]=3 984 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [0,0,0,0,0,1|2,0,0]=3 985 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [0,0,0,0,0,1|2,0,0]=3 986 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [0,0,0,0,0,1|2,0,0]=3 987 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [0,0,0,0,0,1|2,0,0]=3 988 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [0,0,0,0,0,1|2,0,0]=3 989 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [0,0,0,0,0,1|2,0,0]=3 990 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [0,0,0,0,0,1|2,0,0]=3 991 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [0,0,0,0,0,1|2,0,0]=3 992 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,0,1,0,0,0|2,0,0]=4 993 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,0,1,0,0,0|1,0,0]=3 994 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,0,1,0,0,0|1,0,0]=3 995 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,0,1,0,0,0|1,0,0]=3 996 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,0,1,0,0,0|1,0,0]=3 997 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,0,1,0,0,0|1,0,0]=3 998 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,0,1,0,0,0|1,0,0]=3 999 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,0,1,0,0,0|2,0,0]=4 1000 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [1,0,1,0,0,0|2,0,0]=4 1001 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [1,0,1,0,0,0|2,0,0]=4 1002 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,0,1,0,0,0|2,0,0]=4 1003 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,0,1,0,0,0|2,0,0]=4 1004 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,0,1,0,0,0|2,0,0]=4 1005 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,0,1,0,0,0|2,0,0]=4 1006 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,0,1,0,0,0|2,0,0]=4 1007 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,1,0,0,0|1,0,1]=4 1008 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,1,0,0,0|1,0,1]=4 1009 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,1,0,0,0|1,0,1]=4 1010 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,0,1,0,0,0|1,0,0]=3 1011 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,0,1,0,0,0|1,0,0]=3 1012 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,0,1,0,0,0|1,0,0]=3 1013 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,0,1,0,0,0|1,0,0]=3 1014 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,0,1,0,0,0|1,0,0]=3 1015 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,0,1,0,0,0|1,0,0]=3 1016 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,1,0,0,0|1,0,1]=4 1017 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,1,0,0,0|1,0,1]=4 1018 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,1,0,0,0|1,0,1]=4 1019 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,0,1,0,0,0|0,0,0]=2 1020 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,0,1,0,0,0|0,0,0]=2 1021 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,0,1,0,0,0|0,0,0]=2 1022 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,0,1,0,0,0|1,0,0]=3 1023 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,0,1,0,0,0|1,0,0]=3 1024 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,0,1,0,0,0|1,0,0]=3 1025 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,0,1,0,0,0|1,0,0]=3 1026 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [1,0,1,0,0,0|2,0,0]=4 1027 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [1,0,1,0,0,0|2,0,0]=4 1028 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [1,0,1,0,0,0|2,0,0]=4 1029 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [1,0,1,0,0,0|2,0,0]=4 1030 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [1,0,1,0,0,0|2,0,0]=4 1031 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [1,0,1,0,0,0|2,0,0]=4 1032 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [1,0,1,0,0,0|2,0,0]=4 1033 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [1,0,1,0,0,0|2,0,0]=4 1034 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,0,1,0,0,0|1,0,0]=3 1035 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,0,1,0,0,0|1,0,0]=3 1036 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,0,1,0,0,0|1,0,0]=3 1037 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,0,1,0,0,0|1,0,0]=3 1038 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,0,1,0,0,0|1,0,0]=3 1039 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,0,1,0,0,0|1,0,0]=3 1040 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,0,1,0,0,0|2,0,0]=4 1041 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,0,1,0,0,0|2,0,0]=4 1042 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,0,1,0,0,0|2,0,0]=4 1043 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,0,1,0,0,0|2,0,0]=4 1044 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,0,1,0,0,0|2,0,0]=4 1045 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,0,1,0,0,0|2,0,0]=4 1046 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,0,1,0,0,0|2,0,0]=4 1047 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,0,1,0,0,0|2,0,0]=4 1048 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,0,1,0,0,0|2,0,0]=4 1049 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,0,1,0,0,0|1,0,0]=3 1050 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,0,1,0,0,0|1,0,0]=3 1051 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,0,1,0,0,0|2,0,0]=4 1052 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,0,1,0,0,0|2,0,0]=4 1053 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,0,1,0,0,0|2,0,0]=4 1054 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,0,1,0,0,0|2,0,0]=4 1055 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,0,1,0,0,0|2,0,0]=4 1056 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,0,1,0,0,0|1,0,0]=3 1057 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,0,1,0,0,0|2,0,0]=4 1058 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,0,1,0,0,0|1,0,0]=3 1059 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,0,1,0,0,0|1,0,0]=3 1060 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,0,1,0,0,0|2,0,0]=4 1061 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,0,1,0,0,0|2,0,0]=4 1062 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [1,0,1,0,0,0|2,0,0]=4 1063 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [1,0,1,0,0,0|2,0,0]=4 1064 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,0,1,0,0,0|2,0,0]=4 1065 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,0,1,0,0,0|2,0,0]=4 1066 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,0,1,0,0,0|2,0,0]=4 1067 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,0,1,0,0,0|1,0,0]=3 1068 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,0,1,0,0,0|2,0,0]=4 1069 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,0,1,0,0,0|2,0,0]=4 1070 B5R0.2 C#CCCNC 2230a_106832991635_100000688953 [1,0,1,0,0,0|0,0,2]=4 1071 B5R0.2 C#CCCNC 34a_100000755551_200000210301 [1,0,1,0,0,0|0,0,2]=4 1072 B5R0.2 C#CCCNC 34a_100102657272_100000688953 [1,0,1,0,0,0|0,0,2]=4 1073 B5R0.2 C#CCCNC 7a_106832991635_100000688953 [1,0,1,0,0,0|0,0,2]=4 1074 B5R0.2 C#CCCN[13CH3] 34a_100000755551_200025704644 [1,0,1,0,0,0|0,0,2]=4 1075 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [1,0,1,0,0,0|0,0,2]=4 1076 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [1,0,1,0,0,0|0,0,2]=4 1077 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,0,1,0,0,0|0,0,2]=4 1078 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,0,1,0,0,0|0,0,2]=4 1079 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,0,1,0,0,0|0,0,2]=4 1080 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,0,1,0,0,0|0,0,2]=4 1081 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,0,1,0,0,0|0,0,2]=4 1082 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,0,1,0,0,0|0,0,2]=4 1083 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,0,1,0,0,0|0,0,2]=4 1084 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,1,0,0,0|0,0,2]=4 1085 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,1,0,0,0|0,0,2]=4 1086 B5R0.2 CC#CCNC 2230a_100000685387_200000210301 [1,0,1,0,0,0|0,0,2]=4 1087 B5R0.2 CC#CCNC 2230a_106832991635_100000748600 [1,0,1,0,0,0|0,0,2]=4 1088 B5R0.2 CC#CCNC 34a_100000685387_200000210301 [1,0,1,0,0,0|0,0,2]=4 1089 B5R0.2 CC#CCNC 34a_100102657272_100000748600 [1,0,1,0,0,0|0,0,2]=4 1090 B5R0.2 CC#CCNC 7a_106832991635_100000748600 [1,0,1,0,0,0|0,0,2]=4 1091 B5R0.2 CC#CCN[13CH3] 2230a_100000685387_200025704644 [1,0,1,0,0,0|0,0,2]=4 1092 B5R0.2 CC#CCN[13CH3] 34a_100000685387_200025704644 [1,0,1,0,0,0|0,0,2]=4 1093 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,0,1,0,0,0|0,0,2]=4 1094 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,0,1,0,0,0|0,0,2]=4 1095 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,0,1,0,0,0|0,0,2]=4 1096 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,1,0,0,0|1,0,1]=4 1097 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,1,0,0,0|0,0,0]=2 1098 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,1,0,0,0|0,0,0]=2 1099 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,1,0,0,0|0,0,0]=2 1100 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,1,0,0,0|0,0,0]=2 1101 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,1,0,0,0|0,0,0]=2 1102 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,1,0,0,0|0,0,0]=2 1103 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,1,0,0,0|0,0,0]=2 1104 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,1,0,0,0|1,0,0]=3 1105 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,1,0,0,0|1,0,0]=3 1106 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,1,0,0,0|1,0,0]=3 1107 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,1,0,0,0|1,0,0]=3 1108 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,1,0,0,0|1,0,0]=3 1109 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,1,0,0,0|1,0,0]=3 1110 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,1,0,0,0|1,0,0]=3 1111 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,1,0,0,0|1,0,0]=3 1112 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,1,0,0,0|1,0,0]=3 1113 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,0,1,0,0,0|0,0,0]=2 1114 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,0,1,0,0,0|1,0,0]=3 1115 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,0,1,0,0,0|1,0,0]=3 1116 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,0,1,0,0,0|2,0,0]=4 1117 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,0,1,0,0,0|1,0,0]=3 1118 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,0,1,0,0,0|1,0,0]=3 1119 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,0,1,0,0,0|2,0,0]=4 1120 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,0,1,0,0,0|2,0,0]=4 1121 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [1,0,1,0,0,0|1,0,1]=4 1122 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,1,0,0,0|1,0,1]=4 1123 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,0,1,0,0,0|1,0,0]=3 1124 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,0,1,0,0,0|1,0,0]=3 1125 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,0,1,0,0,0|1,0,0]=3 1126 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,0,1,0,0,0|1,0,0]=3 1127 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,0,1,0,0,0|1,0,0]=3 1128 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,0,1,0,0,0|1,0,0]=3 1129 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,0,1,0,0,0|1,0,0]=3 1130 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,0,1,0,0,0|2,0,0]=4 1131 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,0,1,0,0,0|2,0,0]=4 1132 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,0,1,0,0,0|1,0,0]=3 1133 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,0,1,0,0,0|2,0,0]=4 1134 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,0,1,0,0,0|2,0,0]=4 1135 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,0,1,0,0,0|2,0,0]=4 1136 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,0,1,0,0,0|2,0,0]=4 1137 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,0,1,0,0,0|2,0,0]=4 1138 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,0,1,0,0,0|2,0,0]=4 1139 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,0,1,0,0,0|2,0,0]=4 1140 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,0,1,0,0,0|2,0,0]=4 1141 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,0,1,0,0,0|2,0,0]=4 1142 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,0,1,0,0,0|2,0,0]=4 1143 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,0,1,0,0,0|2,0,0]=4 1144 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,0,1,0,0,0|2,0,0]=4 1145 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,0,1,0,0,0|2,0,0]=4 1146 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,0,1,0,0,0|2,0,0]=4 1147 B5R0.2 CNCCC#N 2230a_106832991635_100011215226 [1,0,1,0,0,0|1,0,1]=4 1148 B5R0.2 CNCCC#N 7a_106832991635_100000184422 [1,0,1,0,0,0|1,0,1]=4 1149 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,0,1,0,0,0|1,0,0]=3 1150 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,0,1,0,0,0|1,0,0]=3 1151 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,0,1,0,0,0|1,0,0]=3 1152 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,0,1,0,0,0|1,0,0]=3 1153 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,0,1,0,0,0|1,0,0]=3 1154 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,0,1,0,0,0|1,0,0]=3 1155 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,0,1,0,0,0|1,0,0]=3 1156 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,0,1,0,0,0|1,0,0]=3 1157 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,0,1,0,0,0|1,0,0]=3 1158 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,0,1,0,0,0|1,0,0]=3 1159 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,0,1,0,0,0|1,0,0]=3 1160 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,0,1,0,0,0|1,0,0]=3 1161 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [1,0,1,0,0,0|1,0,0]=3 1162 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [1,0,1,0,0,0|1,0,0]=3 1163 B5R0.2 CNCCSC 34a_100102657272_100000212216 [1,0,1,0,0,0|1,0,0]=3 1164 B5R0.2 CNCCSC 7a_106832991635_100000212216 [1,0,1,0,0,0|1,0,0]=3 1165 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,0,1,0,0,0|2,0,0]=4 1166 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,0,1,0,0,0|2,0,0]=4 1167 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,0,1,0,0,0|2,0,0]=4 1168 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,0,1,0,0,0|2,0,0]=4 1169 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,0,1,0,0,0|1,0,0]=3 1170 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,0,1,0,0,0|2,0,0]=4 1171 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,0,1,0,0,0|1,0,0]=3 1172 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,0,1,0,0,0|2,0,0]=4 1173 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,0,1,0,0,0|2,0,0]=4 1174 B5R0.2 COCCON 34a_100000700252_200000210301 [1,0,1,0,0,0|2,0,0]=4 1175 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,0,1,0,0,0|2,0,0]=4 1176 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,0,1,0,0,0|2,0,0]=4 1177 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,0,1,0,0,0|2,0,0]=4 1178 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,0,1,0,0,0|2,0,0]=4 1179 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,0,1,0,0,0|2,0,0]=4 1180 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,0,1,0,0,0|2,0,0]=4 1181 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,0,1,0,0,0|2,0,0]=4 1182 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,0,1,0,0,0|2,0,0]=4 1183 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,0,1,0,0,0|2,0,0]=4 1184 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,0,1,0,0,0|2,0,0]=4 1185 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,0,1,0,0,0|2,0,0]=4 1186 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,0,1,0,0,0|2,0,0]=4 1187 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [1,0,1,0,0,0|1,0,0]=3 1188 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,0,1,0,0,0|2,0,0]=4 1189 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,0,1,0,0,0|2,0,0]=4 1190 B5R0.2 CSCCSC 62a_100000212216_200000210301 [1,0,1,0,0,0|2,0,0]=4 1191 B5R0.2 CSCCSC 62a_200000210301_100000751147 [1,0,1,0,0,0|2,0,0]=4 1192 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [1,0,1,0,0,0|2,0,0]=4 1193 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [1,0,1,0,0,0|2,0,0]=4 1194 B5R0.2 FCCNCF 34a_100000724931_100015361967 [1,0,1,0,0,0|2,0,0]=4 1195 B5R0.2 NCCOCF 34a_100000210304_100015361967 [1,0,1,0,0,0|2,0,0]=4 1196 B5R0.2 OCCNCF 34a_100016990907_100015361967 [1,0,1,0,0,0|2,0,0]=4 1197 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,0,1,0,0,0|1,0,0]=3 1198 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,0,1,0,0,0|1,0,0]=3 1199 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,0,1,0,0,0|2,0,0]=4 1200 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,0,1,0,0,0|2,0,0]=4 1201 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,0,1,0,0,0|2,0,0]=4 1202 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,0,1,0,0,0|1,0,0]=3 1203 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,0,1,0,0,0|2,0,0]=4 1204 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,0,1,0,0,0|2,0,0]=4 1205 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,0,1,0,0,0|2,0,0]=4 1206 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,0,1,0,0,0|2,0,0]=4 1207 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,0,1,0,0,0|2,0,0]=4 1208 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [1,0,1,0,0,0|0,0,2]=4 1209 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [1,0,1,0,0,0|0,0,2]=4 1210 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [1,0,1,0,0,0|0,0,2]=4 1211 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [1,0,1,0,0,0|0,0,2]=4 1212 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [1,0,1,0,0,0|0,0,2]=4 1213 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [1,0,1,0,0,0|1,0,1]=4 1214 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,0,1,0,0,0|2,0,0]=4 1215 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,0,1,0,0,0|2,0,0]=4 1216 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,0,1,0,0,0|2,0,0]=4 1217 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,0,1,0,0,0|2,0,0]=4 1218 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,1,0,0,0|1,0,1]=4 1219 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,1,0,0,0|1,0,1]=4 1220 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,1,0,0,0|1,0,1]=4 1221 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,1,0,0,0|1,0,1]=4 1222 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,1,0,0,0|1,0,1]=4 1223 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,0,1,0,0,0|0,0,0]=2 1224 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,0,1,0,0,0|0,0,0]=2 1225 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,0,1,0,0,0|0,0,0]=2 1226 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,0,1,0,0,0|0,0,0]=2 1227 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,0,1,0,0,0|0,0,0]=2 1228 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,1,0,0,0|1,0,0]=3 1229 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,1,0,0,0|1,0,0]=3 1230 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,1,0,0,0|1,0,0]=3 1231 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,0,1,0,0,0|1,0,0]=3 1232 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,0,1,0,0,0|1,0,0]=3 1233 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,0,1,0,0,0|1,0,0]=3 1234 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,0,1,0,0,0|1,0,0]=3 1235 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,1,0,0,0|1,0,0]=3 1236 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,1,0,0,0|1,0,0]=3 1237 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,1,0,0,0|1,0,0]=3 1238 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,1,0,0,0|1,0,0]=3 1239 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,1,0,0,0|1,0,0]=3 1240 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [1,0,1,0,0,0|2,0,0]=4 1241 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,1,0,0,0|1,0,0]=3 1242 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,1,0,0,0|1,0,0]=3 1243 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,1,0,0,0|1,0,0]=3 1244 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [1,0,1,0,0,0|1,0,1]=4 1245 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [1,0,1,0,0,0|1,0,1]=4 1246 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [1,0,1,0,0,0|1,0,1]=4 1247 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,0,1,0,0,0|1,0,0]=3 1248 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,0,1,0,0,0|1,0,0]=3 1249 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,0,1,0,0,0|1,0,0]=3 1250 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,0,1,0,0,0|1,0,0]=3 1251 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,0,1,0,0,0|2,0,0]=4 1252 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,0,1,0,0,0|2,0,0]=4 1253 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,0,1,0,0,0|2,0,0]=4 1254 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,0,1,0,0,0|2,0,0]=4 1255 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,0,1,0,0,0|2,0,0]=4 1256 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,0,1,0,0,0|2,0,0]=4 1257 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,0,1,0,0,0|2,0,0]=4 1258 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,0,1,0,0,0|2,0,0]=4 1259 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,0,1,0,0,0|2,0,0]=4 1260 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,0,1,0,0,0|2,0,0]=4 1261 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,0,1,0,0,0|2,0,0]=4 1262 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,0,1,0,0,0|1,0,0]=3 1263 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,0,1,0,0,0|2,0,0]=4 1264 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,0,1,0,0,0|2,0,0]=4 1265 B7R0.2 C#CC(C)NC(C)C 2230a_100000707721_100000210206 [0,1,1,0,0,0|0,0,2]=4 1266 B7R0.2 C#CC(C)NC(C)C 34a_100000707721_100000210206 [0,1,1,0,0,0|0,0,2]=4 1267 B7R0.2 C#CC(C)NC(C)C 34a_100138425928_200000035995 [0,1,1,0,0,0|0,0,2]=4 1268 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,1,1,0,0,0|1,0,1]=4 1269 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,1,1,0,0,0|1,0,1]=4 1270 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,1,1,0,0,0|1,0,1]=4 1271 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,1,1,0,0,0|1,0,1]=4 1272 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,1,1,0,0,0|1,0,1]=4 1273 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,1,1,0,0,0|1,0,1]=4 1274 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [0,1,1,0,0,0|0,0,0]=2 1275 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,1,1,0,0,0|1,0,0]=3 1276 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,1,1,0,0,0|1,0,0]=3 1277 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,1,1,0,0,0|1,0,0]=3 1278 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,1,1,0,0,0|1,0,0]=3 1279 B7R0.2 CC(C)NC(C)C#N 2230a_100000737613_100000210206 [0,1,1,0,0,0|1,0,1]=4 1280 B7R0.2 CC(C)NC(C)C#N 2230a_100138425928_100000184139 [0,1,1,0,0,0|1,0,1]=4 1281 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [0,1,1,0,0,0|1,0,0]=3 1282 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [0,1,1,0,0,0|1,0,0]=3 1283 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [0,1,1,0,0,0|1,0,0]=3 1284 B7R0.2 CC(C)OC(C)CF 34a_100016041109_100000210206 [0,1,1,0,0,0|2,0,0]=4 1285 B7R0.2 CC(C)OC(C)CF 7a_100016041109_100000210206 [0,1,1,0,0,0|2,0,0]=4 1286 B7R0.2 CC(C)OC(C)CN 34a_100000210904_100000210206 [0,1,1,0,0,0|2,0,0]=4 1287 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,1,1,0,0,0|2,0,0]=4 1288 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [0,1,1,0,0,0|2,0,0]=4 1289 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [0,1,1,0,0,0|2,0,0]=4 1290 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [0,1,1,0,0,0|2,0,0]=4 1291 B7R0.2 CC(CN(C)C)S[13CH3] 62a_100020606517_200025704644 [0,1,1,0,0,0|2,0,0]=4 1292 B7R0.2 CC(CN(C)C)S[13CH3] 62a_200025704644_100020606517 [0,1,1,0,0,0|2,0,0]=4 1293 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [0,1,1,0,0,0|1,0,1]=4 1294 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [0,1,1,0,0,0|1,0,1]=4 1295 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [0,1,1,0,0,0|1,0,1]=4 1296 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [0,1,1,0,0,0|1,0,1]=4 1297 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,1,1,0,0,0|1,0,1]=4 1298 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,1,1,0,0,0|1,0,1]=4 1299 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,1,1,0,0,0|1,0,1]=4 1300 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,1,1,0,0,0|2,0,0]=4 1301 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,1,1,0,0,0|2,0,0]=4 1302 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,1,1,0,0,0|2,0,0]=4 1303 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,1,1,0,0,0|2,0,0]=4 1304 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,1,1,0,0,0|2,0,0]=4 1305 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,1,1,0,0,0|2,0,0]=4 1306 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,1,1,0,0,0|2,0,0]=4 1307 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,1,1,0,0,0|0,0,1]=3 1308 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,1,1,0,0,0|0,0,1]=3 1309 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,1,1,0,0,0|0,0,1]=3 1310 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,1,1,0,0,0|0,0,1]=3 1311 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,1,1,0,0,0|0,0,0]=2 1312 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,1,1,0,0,0|0,0,0]=2 1313 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,1,1,0,0,0|0,0,0]=2 1314 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,1,1,0,0,0|1,0,0]=3 1315 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,1,1,0,0,0|1,0,0]=3 1316 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,1,1,0,0,0|1,0,0]=3 1317 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,1,1,0,0,0|1,0,0]=3 1318 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [0,1,1,0,0,0|2,0,0]=4 1319 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [0,1,1,0,0,0|2,0,0]=4 1320 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [0,1,1,0,0,0|2,0,0]=4 1321 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [0,1,1,0,0,0|2,0,0]=4 1322 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [0,1,1,0,0,0|2,0,0]=4 1323 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [0,1,1,0,0,0|2,0,0]=4 1324 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [0,1,1,0,0,0|2,0,0]=4 1325 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [0,1,1,0,0,0|2,0,0]=4 1326 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [0,1,1,0,0,0|2,0,0]=4 1327 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [0,1,1,0,0,0|2,0,0]=4 1328 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [0,1,1,0,0,0|2,0,0]=4 1329 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [0,1,1,0,0,0|2,0,0]=4 1330 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [0,1,1,0,0,0|2,0,0]=4 1331 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [0,1,1,0,0,0|2,0,0]=4 1332 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [0,1,1,0,0,0|2,0,0]=4 1333 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [0,1,1,0,0,0|2,0,0]=4 1334 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [0,1,1,0,0,0|2,0,0]=4 1335 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [0,1,1,0,0,0|2,0,0]=4 1336 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,1,1,0,0,0|1,0,1]=4 1337 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,1,1,0,0,0|2,0,0]=4 1338 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,1,1,0,0,0|2,0,0]=4 1339 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [0,1,1,0,0,0|1,0,1]=4 1340 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [0,1,1,0,0,0|1,0,1]=4 1341 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [0,1,1,0,0,0|1,0,1]=4 1342 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [0,1,1,0,0,0|1,0,1]=4 1343 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [0,1,1,0,0,0|1,0,1]=4 1344 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [0,1,1,0,0,0|0,0,0]=2 1345 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [0,1,1,0,0,0|0,0,0]=2 1346 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [0,1,1,0,0,0|0,0,0]=2 1347 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [0,1,1,0,0,0|0,0,0]=2 1348 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,1,1,0,0,0|1,0,0]=3 1349 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,1,1,0,0,0|1,0,0]=3 1350 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,1,1,0,0,0|1,0,0]=3 1351 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [0,1,1,0,0,0|2,0,0]=4 1352 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [0,1,1,0,0,0|2,0,0]=4 1353 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,1,1,0,0,0|1,0,0]=3 1354 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,1,1,0,0,0|1,0,0]=3 1355 B7R0.2 CSC(C)CN(C)C 62a_100020606517_200000210301 [0,1,1,0,0,0|2,0,0]=4 1356 B7R0.2 CSC(C)CN(C)C 62a_200000210301_100020606517 [0,1,1,0,0,0|2,0,0]=4 1357 B7R0.3 C#CC(C)NCCC 2230a_100000707721_100000210303 [0,1,1,0,0,0|0,0,2]=4 1358 B7R0.3 C#CC(C)NCCC 34a_100000707721_100000210303 [0,1,1,0,0,0|0,0,2]=4 1359 B7R0.3 C#CC(C)NCCF 2230a_100000707721_100011217306 [0,1,1,0,0,0|0,0,2]=4 1360 B7R0.3 C#CC(C)NCCF 34a_100000707721_100011217306 [0,1,1,0,0,0|0,0,2]=4 1361 B7R0.3 C#CC(C)NCCF 34a_100000724931_200000035995 [0,1,1,0,0,0|0,0,2]=4 1362 B7R0.3 C#CC(C)NCCO 2230a_100000707721_100000211926 [0,1,1,0,0,0|0,0,2]=4 1363 B7R0.3 C#CC(C)NCCO 34a_100000707721_100000211926 [0,1,1,0,0,0|0,0,2]=4 1364 B7R0.3 C#CC(C)NCCO 34a_100016990907_200000035995 [0,1,1,0,0,0|0,0,2]=4 1365 B7R0.3 C#CC(C)NCOC 2230a_100000707721_100000766300 [0,1,1,0,0,0|0,0,2]=4 1366 B7R0.3 C#CC(C)NCSC 2230a_100000707721_100011218213 [0,1,1,0,0,0|0,0,2]=4 1367 B7R0.3 C#CC(C)NCSC 34a_100000707721_100011218213 [0,1,1,0,0,0|0,0,2]=4 1368 B7R0.3 C#CC(C)OCCC 34a_100000210258_200000035995 [0,1,1,0,0,0|1,0,1]=4 1369 B7R0.3 C#CC(C)SCCC 62a_200000035995_100000210303 [0,1,1,0,0,0|1,0,1]=4 1370 B7R0.3 C#CCNC(C)CC 2230a_100000209981_100000038162 [0,1,1,0,0,0|0,0,1]=3 1371 B7R0.3 C#CCNC(C)CC 34a_100000212058_100011215416 [0,1,1,0,0,0|0,0,1]=3 1372 B7R0.3 C#CCNC(C)CO 34a_100000212058_100012180447 [0,1,1,0,0,0|1,0,1]=4 1373 B7R0.3 C#CCN[C@H](C)CO 2230a_100000737577_100000038162 [0,1,1,0,0,0|1,0,1]=4 1374 B7R0.3 C#CCOC(C)CC 34a_100000210247_100011215416 [0,1,1,0,0,0|1,0,1]=4 1375 B7R0.3 C#CCOC(C)CC 7a_100000210228_100000038162 [0,1,1,0,0,0|1,0,1]=4 1376 B7R0.3 C#CCSC(C)CC 62a_100000038162_100000758301 [0,1,1,0,0,0|1,0,1]=4 1377 B7R0.3 C#C[C@@H](C)OCCC 34a_100009815206_100000210303 [0,1,1,0,0,0|1,0,1]=4 1378 B7R0.3 C#C[C@@H](C)OCCC 7a_100009815206_100000210303 [0,1,1,0,0,0|1,0,1]=4 1379 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [0,1,1,0,0,0|1,0,1]=4 1380 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [0,1,1,0,0,0|1,0,1]=4 1381 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [0,1,1,0,0,0|1,0,1]=4 1382 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [0,1,1,0,0,0|1,0,1]=4 1383 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [0,1,1,0,0,0|0,0,1]=3 1384 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,1,1,0,0,0|1,0,1]=4 1385 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,1,1,0,0,0|1,0,1]=4 1386 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,1,1,0,0,0|1,0,1]=4 1387 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,1,1,0,0,0|1,0,1]=4 1388 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [0,1,1,0,0,0|0,0,1]=3 1389 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [0,1,1,0,0,0|0,0,1]=3 1390 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [0,1,1,0,0,0|1,0,1]=4 1391 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [0,1,1,0,0,0|1,0,1]=4 1392 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,1,1,0,0,0|1,0,1]=4 1393 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,1,1,0,0,0|1,0,1]=4 1394 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [0,1,1,0,0,0|1,0,1]=4 1395 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [0,1,1,0,0,0|1,0,1]=4 1396 B7R0.3 CC(C#N)NCCF 2230a_100000737613_100011217306 [0,1,1,0,0,0|1,0,1]=4 1397 B7R0.3 CC(C#N)NCCO 2230a_100000737613_100000211926 [0,1,1,0,0,0|1,0,1]=4 1398 B7R0.3 CC(C#N)NCCO 2230a_100016997473_100000184139 [0,1,1,0,0,0|1,0,1]=4 1399 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,1,1,0,0,0|1,0,0]=3 1400 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,1,1,0,0,0|1,0,0]=3 1401 B7R0.3 CC(CF)OCCF 34a_100016041109_100011217306 [0,1,1,0,0,0|2,0,0]=4 1402 B7R0.3 CC(CF)OCCF 7a_100016041109_100011217306 [0,1,1,0,0,0|2,0,0]=4 1403 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [0,1,1,0,0,0|2,0,0]=4 1404 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [0,1,1,0,0,0|2,0,0]=4 1405 B7R0.3 CC(CN)OCCF 34a_100000210904_100011217306 [0,1,1,0,0,0|2,0,0]=4 1406 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [0,1,1,0,0,0|2,0,0]=4 1407 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [0,1,1,0,0,0|2,0,0]=4 1408 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [0,1,1,0,0,0|2,0,0]=4 1409 B7R0.3 CC(CO)CNCF 34a_100000744482_100015361967 [0,1,1,0,0,0|2,0,0]=4 1410 B7R0.3 CC(CO)NCCF 34a_100000724931_100012180447 [0,1,1,0,0,0|1,0,0]=3 1411 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [0,1,1,0,0,0|1,0,0]=3 1412 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [0,1,1,0,0,0|1,0,0]=3 1413 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [0,1,1,0,0,0|2,0,0]=4 1414 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [0,1,1,0,0,0|2,0,0]=4 1415 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [0,1,1,0,0,0|2,0,0]=4 1416 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [0,1,1,0,0,0|2,0,0]=4 1417 B7R0.3 CC=NNC(C)CC 4a_100000718999_200000210099 [0,1,1,0,0,0|0,0,1]=3 1418 B7R0.3 CCC#CC(C)OC 34a_100000033903_200000210301 [0,1,1,0,0,0|1,0,1]=4 1419 B7R0.3 CCC#CC(C)OC 7a_100000033903_200000210301 [0,1,1,0,0,0|1,0,1]=4 1420 B7R0.3 CCC#CC(C)O[13CH3] 34a_100000033903_200025704644 [0,1,1,0,0,0|1,0,1]=4 1421 B7R0.3 CCC#CC(C)O[13CH3] 7a_100000033903_200025704644 [0,1,1,0,0,0|1,0,1]=4 1422 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,1,1,0,0,0|1,0,1]=4 1423 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,1,1,0,0,0|1,0,1]=4 1424 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,1,1,0,0,0|1,0,1]=4 1425 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,1,1,0,0,0|1,0,1]=4 1426 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,1,1,0,0,0|1,0,1]=4 1427 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,1,1,0,0,0|1,0,1]=4 1428 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,1,1,0,0,0|1,0,0]=3 1429 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,1,1,0,0,0|1,0,0]=3 1430 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,1,1,0,0,0|1,0,0]=3 1431 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,1,1,0,0,0|1,0,0]=3 1432 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [0,1,1,0,0,0|2,0,0]=4 1433 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [0,1,1,0,0,0|2,0,0]=4 1434 B7R0.3 CCC(C)NCC#N 2230a_100000209981_100011215382 [0,1,1,0,0,0|0,0,1]=3 1435 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,1,1,0,0,0|0,0,1]=3 1436 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [0,1,1,0,0,0|0,0,0]=2 1437 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [0,1,1,0,0,0|0,0,0]=2 1438 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,1,1,0,0,0|0,0,0]=2 1439 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,1,1,0,0,0|0,0,0]=2 1440 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,1,1,0,0,0|0,0,0]=2 1441 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,1,1,0,0,0|0,0,0]=2 1442 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,1,1,0,0,0|0,0,0]=2 1443 B7R0.3 CCC(C)OCC#N 7a_100000210228_100011215382 [0,1,1,0,0,0|1,0,1]=4 1444 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,1,1,0,0,0|1,0,1]=4 1445 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,1,1,0,0,0|1,0,0]=3 1446 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,1,1,0,0,0|1,0,0]=3 1447 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,1,1,0,0,0|1,0,0]=3 1448 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,1,1,0,0,0|1,0,0]=3 1449 B7R0.3 CCC(C)SCC#N 62a_100000758301_100011215382 [0,1,1,0,0,0|1,0,1]=4 1450 B7R0.3 CCC(C)SCC#N 62a_100011215382_100000758301 [0,1,1,0,0,0|1,0,1]=4 1451 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,1,1,0,0,0|1,0,1]=4 1452 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,1,1,0,0,0|1,0,1]=4 1453 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [0,1,1,0,0,0|1,0,0]=3 1454 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [0,1,1,0,0,0|1,0,0]=3 1455 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,1,1,0,0,0|1,0,0]=3 1456 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,1,1,0,0,0|1,0,0]=3 1457 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [0,1,1,0,0,0|1,0,0]=3 1458 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [0,1,1,0,0,0|1,0,0]=3 1459 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,1,1,0,0,0|1,0,0]=3 1460 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,1,1,0,0,0|1,0,0]=3 1461 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,1,1,0,0,0|1,0,1]=4 1462 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,1,1,0,0,0|1,0,1]=4 1463 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,1,1,0,0,0|1,0,1]=4 1464 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,1,1,0,0,0|1,0,1]=4 1465 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,1,1,0,0,0|0,0,0]=2 1466 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,1,1,0,0,0|0,0,0]=2 1467 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,1,1,0,0,0|0,0,0]=2 1468 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,1,1,0,0,0|0,0,0]=2 1469 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,1,1,0,0,0|0,0,0]=2 1470 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,1,1,0,0,0|0,0,0]=2 1471 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,1,1,0,0,0|1,0,0]=3 1472 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,1,1,0,0,0|1,0,0]=3 1473 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,1,1,0,0,0|1,0,0]=3 1474 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,1,1,0,0,0|1,0,0]=3 1475 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,1,1,0,0,0|1,0,0]=3 1476 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,1,1,0,0,0|1,0,0]=3 1477 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,1,1,0,0,0|1,0,0]=3 1478 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,1,1,0,0,0|1,0,0]=3 1479 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,1,1,0,0,0|1,0,0]=3 1480 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [0,1,1,0,0,0|2,0,0]=4 1481 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [0,1,1,0,0,0|2,0,0]=4 1482 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [0,1,1,0,0,0|2,0,0]=4 1483 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [0,1,1,0,0,0|2,0,0]=4 1484 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [0,1,1,0,0,0|2,0,0]=4 1485 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [0,1,1,0,0,0|2,0,0]=4 1486 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [0,1,1,0,0,0|2,0,0]=4 1487 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [0,1,1,0,0,0|2,0,0]=4 1488 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,1,1,0,0,0|1,0,1]=4 1489 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,1,1,0,0,0|1,0,1]=4 1490 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,1,1,0,0,0|1,0,1]=4 1491 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,1,1,0,0,0|1,0,1]=4 1492 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,1,1,0,0,0|1,0,1]=4 1493 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,1,1,0,0,0|1,0,1]=4 1494 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,1,1,0,0,0|1,0,1]=4 1495 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,1,1,0,0,0|1,0,1]=4 1496 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,1,1,0,0,0|1,0,1]=4 1497 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,1,1,0,0,0|1,0,1]=4 1498 B7R0.3 CCCNC(C)C#N 2230a_100000737613_100000210303 [0,1,1,0,0,0|1,0,1]=4 1499 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,1,1,0,0,0|0,0,0]=2 1500 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [0,1,1,0,0,0|1,0,0]=3 1501 B7R0.3 CCCOC(C)C#N 34a_100011218135_100000210303 [0,1,1,0,0,0|2,0,0]=4 1502 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,1,1,0,0,0|1,0,0]=3 1503 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,1,1,0,0,0|1,0,0]=3 1504 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [0,1,1,0,0,0|2,0,0]=4 1505 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [0,1,1,0,0,0|2,0,0]=4 1506 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [0,1,1,0,0,0|2,0,0]=4 1507 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,1,1,0,0,0|2,0,0]=4 1508 B7R0.3 CCCSC(C)C#N 62a_100000210303_100000703298 [0,1,1,0,0,0|2,0,0]=4 1509 B7R0.3 CCCSC(C)C#N 62a_100000703298_100000210303 [0,1,1,0,0,0|2,0,0]=4 1510 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,1,1,0,0,0|1,0,0]=3 1511 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,1,1,0,0,0|1,0,0]=3 1512 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [0,1,1,0,0,0|2,0,0]=4 1513 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [0,1,1,0,0,0|1,0,0]=3 1514 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [0,1,1,0,0,0|1,0,0]=3 1515 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [0,1,1,0,0,0|2,0,0]=4 1516 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [0,1,1,0,0,0|2,0,0]=4 1517 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [0,1,1,0,0,0|2,0,0]=4 1518 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [0,1,1,0,0,0|2,0,0]=4 1519 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [0,1,1,0,0,0|2,0,0]=4 1520 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [0,1,1,0,0,0|2,0,0]=4 1521 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [0,1,1,0,0,0|2,0,0]=4 1522 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [0,1,1,0,0,0|2,0,0]=4 1523 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [0,1,1,0,0,0|2,0,0]=4 1524 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [0,1,1,0,0,0|2,0,0]=4 1525 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [0,1,1,0,0,0|2,0,0]=4 1526 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [0,1,1,0,0,0|2,0,0]=4 1527 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [0,1,1,0,0,0|2,0,0]=4 1528 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [0,1,1,0,0,0|2,0,0]=4 1529 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [0,1,1,0,0,0|2,0,0]=4 1530 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [0,1,1,0,0,0|2,0,0]=4 1531 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [0,1,1,0,0,0|2,0,0]=4 1532 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [0,1,1,0,0,0|2,0,0]=4 1533 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [0,1,1,0,0,0|2,0,0]=4 1534 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [0,1,1,0,0,0|2,0,0]=4 1535 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,1,1,0,0,0|1,0,1]=4 1536 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,1,1,0,0,0|1,0,1]=4 1537 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,1,1,0,0,0|0,0,0]=2 1538 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,1,1,0,0,0|0,0,0]=2 1539 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,1,1,0,0,0|0,0,0]=2 1540 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [0,1,1,0,0,0|1,0,0]=3 1541 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [0,1,1,0,0,0|1,0,0]=3 1542 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [0,1,1,0,0,0|1,0,0]=3 1543 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [0,1,1,0,0,0|2,0,0]=4 1544 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,1,1,0,0,0|0,0,0]=2 1545 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [0,1,1,0,0,0|1,0,0]=3 1546 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [0,1,1,0,0,0|1,0,0]=3 1547 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [0,1,1,0,0,0|2,0,0]=4 1548 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [0,1,1,0,0,0|2,0,0]=4 1549 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [0,1,1,0,0,0|2,0,0]=4 1550 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [0,1,1,0,0,0|2,0,0]=4 1551 B7R0.3 CCNN=C(C)CF 4a_100000756455_100000039719 [0,1,1,0,0,0|1,0,1]=4 1552 B7R0.3 CCNN=C(C)CO 4a_100000756455_100000211253 [0,1,1,0,0,0|1,0,1]=4 1553 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,1,1,0,0,0|1,0,1]=4 1554 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,1,1,0,0,0|1,0,1]=4 1555 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,1,1,0,0,0|1,0,1]=4 1556 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,1,1,0,0,0|1,0,1]=4 1557 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,1,1,0,0,0|1,0,1]=4 1558 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,1,1,0,0,0|1,0,1]=4 1559 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,1,1,0,0,0|1,0,1]=4 1560 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,1,1,0,0,0|1,0,0]=3 1561 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [0,1,1,0,0,0|2,0,0]=4 1562 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,1,1,0,0,0|1,0,0]=3 1563 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,1,1,0,0,0|1,0,0]=3 1564 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,1,1,0,0,0|1,0,0]=3 1565 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,1,1,0,0,0|1,0,0]=3 1566 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,1,1,0,0,0|1,0,0]=3 1567 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,1,1,0,0,0|2,0,0]=4 1568 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [0,1,1,0,0,0|2,0,0]=4 1569 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,1,1,0,0,0|1,0,0]=3 1570 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,1,1,0,0,0|1,0,0]=3 1571 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,1,1,0,0,0|2,0,0]=4 1572 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,1,1,0,0,0|1,0,1]=4 1573 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,1,1,0,0,0|1,0,1]=4 1574 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,1,1,0,0,0|1,0,1]=4 1575 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,1,1,0,0,0|1,0,1]=4 1576 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,1,1,0,0,0|1,0,1]=4 1577 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,1,1,0,0,0|1,0,1]=4 1578 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,1,1,0,0,0|1,0,0]=3 1579 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,1,1,0,0,0|1,0,0]=3 1580 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [0,1,1,0,0,0|0,0,0]=2 1581 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [0,1,1,0,0,0|2,0,0]=4 1582 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [0,1,1,0,0,0|2,0,0]=4 1583 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,1,1,0,0,0|1,0,0]=3 1584 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,1,1,0,0,0|1,0,0]=3 1585 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [0,1,1,0,0,0|2,0,0]=4 1586 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [0,1,1,0,0,0|2,0,0]=4 1587 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [0,1,1,0,0,0|2,0,0]=4 1588 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [0,1,1,0,0,0|2,0,0]=4 1589 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [0,1,1,0,0,0|2,0,0]=4 1590 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,1,1,0,0,0|1,0,1]=4 1591 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,1,1,0,0,0|1,0,1]=4 1592 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,1,1,0,0,0|1,0,1]=4 1593 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,1,1,0,0,0|1,0,1]=4 1594 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,1,1,0,0,0|1,0,1]=4 1595 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,1,1,0,0,0|1,0,1]=4 1596 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,1,1,0,0,0|1,0,1]=4 1597 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,1,1,0,0,0|1,0,1]=4 1598 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,1,1,0,0,0|1,0,1]=4 1599 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,1,1,0,0,0|1,0,1]=4 1600 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,1,1,0,0,0|1,0,1]=4 1601 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,1,1,0,0,0|1,0,1]=4 1602 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,1,1,0,0,0|1,0,1]=4 1603 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,1,1,0,0,0|1,0,1]=4 1604 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,1,1,0,0,0|1,0,1]=4 1605 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,1,1,0,0,0|1,0,1]=4 1606 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,1,1,0,0,0|1,0,1]=4 1607 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [0,1,1,0,0,0|0,0,0]=2 1608 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [0,1,1,0,0,0|0,0,0]=2 1609 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,1,1,0,0,0|1,0,1]=4 1610 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,1,1,0,0,0|1,0,1]=4 1611 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,1,1,0,0,0|1,0,1]=4 1612 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,1,1,0,0,0|1,0,1]=4 1613 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,1,1,0,0,0|1,0,1]=4 1614 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [0,1,1,0,0,0|2,0,0]=4 1615 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [0,1,1,0,0,0|2,0,0]=4 1616 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,1,1,0,0,0|1,0,0]=3 1617 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,1,1,0,0,0|1,0,0]=3 1618 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,1,1,0,0,0|1,0,0]=3 1619 B7R0.3 COC(C)COCF 34a_100000690652_100015361967 [0,1,1,0,0,0|2,0,0]=4 1620 B7R0.3 COC(C)SCCF 62a_100009879195_100011217306 [0,1,1,0,0,0|2,0,0]=4 1621 B7R0.3 COC(C)SCCF 62a_100011217306_100009879195 [0,1,1,0,0,0|2,0,0]=4 1622 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [0,1,1,0,0,0|2,0,0]=4 1623 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [0,1,1,0,0,0|2,0,0]=4 1624 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [0,1,1,0,0,0|2,0,0]=4 1625 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [0,1,1,0,0,0|2,0,0]=4 1626 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,1,1,0,0,0|1,0,0]=3 1627 B7R0.3 COCNC(C)C#N 2230a_100000737613_100000766300 [0,1,1,0,0,0|1,0,1]=4 1628 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [0,1,1,0,0,0|1,0,0]=3 1629 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [0,1,1,0,0,0|2,0,0]=4 1630 B7R0.3 COCSC(C)OC 62a_100000766300_100009879195 [0,1,1,0,0,0|2,0,0]=4 1631 B7R0.3 COCSC(C)OC 62a_100009879195_100000766300 [0,1,1,0,0,0|2,0,0]=4 1632 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [0,1,1,0,0,0|2,0,0]=4 1633 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [0,1,1,0,0,0|2,0,0]=4 1634 B7R0.3 CSCNC(C)C#N 2230a_100000737613_100011218213 [0,1,1,0,0,0|1,0,1]=4 1635 B7R0.3 CSCN[C@H](C)CO 2230a_100000737577_100011218213 [0,1,1,0,0,0|1,0,0]=3 1636 B7R0.3 CSCOC(C)CF 34a_100016041109_100011218213 [0,1,1,0,0,0|2,0,0]=4 1637 B7R0.3 CSCOC(C)CN 34a_100000210904_100011218213 [0,1,1,0,0,0|2,0,0]=4 1638 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [0,1,1,0,0,0|2,0,0]=4 1639 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [0,1,1,0,0,0|2,0,0]=4 1640 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [0,1,1,0,0,0|2,0,0]=4 1641 B7R0.3 C[C@H](CO)NCC#N 2230a_100000737577_100011215382 [0,1,1,0,0,0|1,0,1]=4 1642 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,1,1,0,0,0|1,0,1]=4 1643 B7R0.3 C[C@H](CO)NCCF 2230a_100000737577_100011217306 [0,1,1,0,0,0|1,0,0]=3 1644 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [0,1,1,0,0,0|1,0,0]=3 1645 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [0,1,1,0,0,0|2,0,0]=4 1646 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [0,1,1,0,0,0|2,0,0]=4 1647 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [0,1,1,0,0,0|2,0,0]=4 1648 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [0,1,1,0,0,0|2,0,0]=4 1649 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,1,1,0,0,0|0,0,1]=3 1650 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,1,1,0,0,0|2,0,0]=4 1651 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,1,1,0,0,0|2,0,0]=4 1652 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,1,1,0,0,0|2,0,0]=4 1653 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [0,1,1,0,0,0|2,0,0]=4 1654 B7R0.5 CC(CC#N)N(C)C 2230a_100102631434_100009813641 [0,1,1,0,0,0|1,0,1]=4 1655 B7R0.5 CC(CC#N)N(C)C 269982a_100102631434_100009813641 [0,1,1,0,0,0|1,0,1]=4 1656 B7R0.5 CC(CCO)N(C)C 2230a_100000731037_200000210301 [0,1,1,0,0,0|1,0,0]=3 1657 B7R0.5 CC(CCO)N(C)C 2230a_100102631434_100009893172 [0,1,1,0,0,0|1,0,0]=3 1658 B7R0.5 CC(CCO)N(C)C 269982a_100000731037_200000210301 [0,1,1,0,0,0|1,0,0]=3 1659 B7R0.5 CC(CCO)N(C)C 269982a_100102631434_100009893172 [0,1,1,0,0,0|1,0,0]=3 1660 B7R0.5 CC(CCO)N(C)[13CH3] 2230a_100000731037_200025704644 [0,1,1,0,0,0|1,0,0]=3 1661 B7R0.5 CC(CCO)N(C)[13CH3] 269982a_100000731037_200025704644 [0,1,1,0,0,0|1,0,0]=3 1662 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [0,1,1,0,0,0|1,0,1]=4 1663 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [0,1,1,0,0,0|1,0,1]=4 1664 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [0,1,1,0,0,0|1,0,1]=4 1665 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [0,1,1,0,0,0|1,0,1]=4 1666 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,1,1,0,0,0|1,0,0]=3 1667 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,1,1,0,0,0|1,0,0]=3 1668 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,1,1,0,0,0|1,0,0]=3 1669 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [0,1,1,0,0,0|0,0,0]=2 1670 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [0,1,1,0,0,0|0,0,0]=2 1671 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [0,1,1,0,0,0|0,0,0]=2 1672 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,1,1,0,0,0|2,0,0]=4 1673 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,1,1,0,0,0|2,0,0]=4 1674 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,1,1,0,0,0|2,0,0]=4 1675 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,1,1,0,0,0|2,0,0]=4 1676 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [0,1,1,0,0,0|2,0,0]=4 1677 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [0,1,1,0,0,0|2,0,0]=4 1678 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [0,1,1,0,0,0|2,0,0]=4 1679 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [0,1,1,0,0,0|2,0,0]=4 1680 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [0,1,1,0,0,0|2,0,0]=4 1681 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [0,1,1,0,0,0|2,0,0]=4 1682 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [0,1,1,0,0,0|2,0,0]=4 1683 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,1,1,0,0,0|2,0,0]=4 1684 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,1,1,0,0,0|2,0,0]=4 1685 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [0,1,1,0,0,0|1,0,1]=4 1686 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [0,1,1,0,0,0|1,0,1]=4 1687 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [0,1,1,0,0,0|1,0,1]=4 1688 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [0,1,1,0,0,0|1,0,1]=4 1689 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [0,1,1,0,0,0|1,0,1]=4 1690 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [0,1,1,0,0,0|1,0,1]=4 1691 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [0,1,1,0,0,0|1,0,1]=4 1692 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [0,1,1,0,0,0|1,0,1]=4 1693 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,1,1,0,0,0|0,0,1]=3 1694 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,1,1,0,0,0|1,0,1]=4 1695 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,1,1,0,0,0|0,0,0]=2 1696 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,1,1,0,0,0|1,0,1]=4 1697 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,1,1,0,0,0|1,0,1]=4 1698 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,1,1,0,0,0|1,0,1]=4 1699 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,1,1,0,0,0|1,0,1]=4 1700 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,1,1,0,0,0|1,0,1]=4 1701 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,1,1,0,0,0|1,0,1]=4 1702 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,1,1,0,0,0|1,0,0]=3 1703 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,1,1,0,0,0|1,0,1]=4 1704 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,1,1,0,0,0|1,0,1]=4 1705 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,1,1,0,0,0|1,0,1]=4 1706 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,1,1,0,0,0|1,0,1]=4 1707 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,1,1,0,0,0|2,0,0]=4 1708 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,1,1,0,0,0|2,0,0]=4 1709 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,1,1,0,0,0|2,0,0]=4 1710 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,1,1,0,0,0|2,0,0]=4 1711 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,1,1,0,0,0|2,0,0]=4 1712 B7R0.5 COCC(C)N(C)C 2230a_100102631434_100000765312 [0,1,1,0,0,0|1,0,0]=3 1713 B7R0.5 COCC(C)N(C)C 269982a_100102631434_100000765312 [0,1,1,0,0,0|1,0,0]=3 1714 B7R0.5 COCC(C)N(C)C 270004a_100102631434_100000749346 [0,1,1,0,0,0|1,0,0]=3 1715 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,1,1,0,0,0|2,0,0]=4 1716 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,1,1,0,0,0|2,0,0]=4 1717 B7R0.5 CSCC(C)N(C)C 270004a_100102631434_100011216314 [0,1,1,0,0,0|1,0,0]=3 1718 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [0,1,1,0,0,0|1,0,1]=4 1719 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [0,1,1,0,0,0|1,0,1]=4 1720 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,1,1,0,0,0|1,0,1]=4 1721 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,1,1,0,0,0|1,0,1]=4 1722 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,1,1,0,0,0|1,0,1]=4 1723 B7R0.7 CC#CC(C)OCC 34a_100011216543_100000210202 [0,1,1,0,0,0|1,0,1]=4 1724 B7R0.7 CC(CCBr)OCF 34a_100012276601_100015361967 [0,1,1,0,0,0|2,0,0]=4 1725 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [0,1,1,0,0,0|2,0,0]=4 1726 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [0,1,1,0,0,0|2,0,0]=4 1727 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [0,1,1,0,0,0|2,0,0]=4 1728 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,1,1,0,0,0|1,0,1]=4 1729 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,1,1,0,0,0|1,0,1]=4 1730 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,1,1,0,0,0|1,0,1]=4 1731 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,1,1,0,0,0|1,0,1]=4 1732 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,1,1,0,0,0|1,0,1]=4 1733 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,1,1,0,0,0|1,0,1]=4 1734 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,1,1,0,0,0|0,0,0]=2 1735 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,1,1,0,0,0|0,0,0]=2 1736 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,1,1,0,0,0|0,0,0]=2 1737 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,1,1,0,0,0|0,0,0]=2 1738 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,1,1,0,0,0|1,0,0]=3 1739 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,1,1,0,0,0|1,0,0]=3 1740 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,1,1,0,0,0|1,0,0]=3 1741 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,1,1,0,0,0|1,0,0]=3 1742 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,1,1,0,0,0|1,0,0]=3 1743 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,1,1,0,0,0|1,0,0]=3 1744 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,1,1,0,0,0|1,0,0]=3 1745 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,1,1,0,0,0|1,0,0]=3 1746 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,1,1,0,0,0|1,0,0]=3 1747 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,1,1,0,0,0|0,0,0]=2 1748 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,1,1,0,0,0|0,0,0]=2 1749 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,1,1,0,0,0|0,0,0]=2 1750 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,1,1,0,0,0|1,0,0]=3 1751 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,1,1,0,0,0|1,0,0]=3 1752 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,1,1,0,0,0|1,0,0]=3 1753 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,1,1,0,0,0|1,0,0]=3 1754 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,1,1,0,0,0|1,0,0]=3 1755 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,1,1,0,0,0|1,0,0]=3 1756 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,1,1,0,0,0|1,0,0]=3 1757 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [0,1,1,0,0,0|1,0,0]=3 1758 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [0,1,1,0,0,0|1,0,0]=3 1759 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [0,1,1,0,0,0|2,0,0]=4 1760 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [0,1,1,0,0,0|2,0,0]=4 1761 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [0,1,1,0,0,0|2,0,0]=4 1762 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [0,1,1,0,0,0|2,0,0]=4 1763 B7R0.7 CCCN(C)CCF 2230a_100000747261_100011217306 [0,1,1,0,0,0|2,0,0]=4 1764 B7R0.7 CCCN(C)CCF 269982a_100000747261_100011217306 [0,1,1,0,0,0|2,0,0]=4 1765 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [0,1,1,0,0,0|2,0,0]=4 1766 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [0,1,1,0,0,0|2,0,0]=4 1767 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [0,1,1,0,0,0|2,0,0]=4 1768 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [0,1,1,0,0,0|2,0,0]=4 1769 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [0,1,1,0,0,0|2,0,0]=4 1770 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [0,1,1,0,0,0|2,0,0]=4 1771 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [0,1,1,0,0,0|2,0,0]=4 1772 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [0,1,1,0,0,0|2,0,0]=4 1773 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [0,1,1,0,0,0|2,0,0]=4 1774 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [0,1,1,0,0,0|2,0,0]=4 1775 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [0,1,1,0,0,0|2,0,0]=4 1776 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [0,1,1,0,0,0|2,0,0]=4 1777 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [0,1,1,0,0,0|2,0,0]=4 1778 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [0,1,1,0,0,0|2,0,0]=4 1779 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,1,1,0,0,0|2,0,0]=4 1780 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,1,1,0,0,0|2,0,0]=4 1781 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,1,1,0,0,0|1,0,1]=4 1782 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,1,1,0,0,0|1,0,1]=4 1783 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,1,1,0,0,0|1,0,1]=4 1784 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,1,1,0,0,0|1,0,1]=4 1785 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,1,1,0,0,0|1,0,1]=4 1786 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,1,1,0,0,0|1,0,1]=4 1787 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,1,1,0,0,0|1,0,1]=4 1788 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,1,1,0,0,0|1,0,1]=4 1789 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,1,1,0,0,0|1,0,1]=4 1790 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,1,1,0,0,0|1,0,1]=4 1791 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,1,1,0,0,0|1,0,1]=4 1792 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,1,1,0,0,0|1,0,1]=4 1793 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,1,1,0,0,0|1,0,1]=4 1794 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,1,1,0,0,0|1,0,1]=4 1795 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,1,1,0,0,0|1,0,1]=4 1796 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,1,1,0,0,0|1,0,1]=4 1797 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,1,1,0,0,0|1,0,1]=4 1798 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,1,1,0,0,0|1,0,1]=4 1799 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,1,1,0,0,0|1,0,1]=4 1800 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,1,1,0,0,0|1,0,1]=4 1801 B7R0.7 CCNC(C)CC#N 2230a_100015525214_100009813641 [0,1,1,0,0,0|0,0,1]=3 1802 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,1,1,0,0,0|0,0,0]=2 1803 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,1,1,0,0,0|0,0,0]=2 1804 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,1,1,0,0,0|0,0,0]=2 1805 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,1,1,0,0,0|0,0,0]=2 1806 B7R0.7 CCN[C@@H](C)CC#N 2230a_100016994482_100000210202 [0,1,1,0,0,0|0,0,1]=3 1807 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,1,1,0,0,0|0,0,0]=2 1808 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,1,1,0,0,0|0,0,0]=2 1809 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,1,1,0,0,0|0,0,0]=2 1810 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,1,1,0,0,0|1,0,0]=3 1811 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,1,1,0,0,0|1,0,0]=3 1812 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,1,1,0,0,0|1,0,0]=3 1813 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,1,1,0,0,0|1,0,0]=3 1814 B7R0.7 CCSC(C)CC#N 62a_100000210202_100009813641 [0,1,1,0,0,0|1,0,1]=4 1815 B7R0.7 CCSC(C)CC#N 62a_100009813641_100000210202 [0,1,1,0,0,0|1,0,1]=4 1816 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,1,1,0,0,0|1,0,0]=3 1817 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,1,1,0,0,0|1,0,0]=3 1818 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,1,1,0,0,0|1,0,0]=3 1819 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,1,1,0,0,0|1,0,0]=3 1820 B7R0.7 CNCC(O)COC 2230a_100000756049_200000210301 [0,1,1,0,0,0|2,0,0]=4 1821 B7R0.7 CNCC(O)COC 34a_100000756049_200000210301 [0,1,1,0,0,0|2,0,0]=4 1822 B7R0.7 CNCC(O)COC 34a_100102657272_100011215053 [0,1,1,0,0,0|2,0,0]=4 1823 B7R0.7 CNCC(O)COC 7a_106832991635_100011215053 [0,1,1,0,0,0|2,0,0]=4 1824 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [0,1,1,0,0,0|2,0,0]=4 1825 B7R0.7 COCC(C)SCF 62a_100000765312_100015361967 [0,1,1,0,0,0|2,0,0]=4 1826 B7R0.7 COCC(C)SCF 62a_100015361967_100000765312 [0,1,1,0,0,0|2,0,0]=4 1827 B7R0.7 COCC(O)CN[13CH3] 2230a_100000756049_200025704644 [0,1,1,0,0,0|2,0,0]=4 1828 B7R0.7 COCC(O)CN[13CH3] 34a_100000756049_200025704644 [0,1,1,0,0,0|2,0,0]=4 1829 B7R0.7 COC[C@@H](C)OCF 34a_100011934205_100015361967 [0,1,1,0,0,0|2,0,0]=4 1830 B7R0.7 C[C@H](CCO)NCF 34a_100000706166_100015361967 [0,1,1,0,0,0|1,0,0]=3 1831 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [0,1,1,0,0,0|0,0,2]=4 1832 B7R0.10 C=CC(C)N(C)CC 269982a_100000225621_100011215867 [0,1,1,0,0,0|0,0,2]=4 1833 B7R0.10 CC(CO)N(C)CF 269982a_100000693034_100015361967 [0,1,1,0,0,0|2,0,0]=4 1834 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,1,0,0,0|1,0,0]=3 1835 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,1,0,0,0|1,0,0]=3 1836 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,1,1,0,0,0|0,0,1]=3 1837 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,1,1,0,0,0|0,0,1]=3 1838 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,1,1,0,0,0|1,0,1]=4 1839 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,1,1,0,0,0|1,0,1]=4 1840 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,1,1,0,0,0|1,0,1]=4 1841 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,1,1,0,0,0|1,0,1]=4 1842 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,1,1,0,0,0|1,0,1]=4 1843 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,1,1,0,0,0|1,0,1]=4 1844 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,1,1,0,0,0|2,0,0]=4 1845 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,1,1,0,0,0|1,0,1]=4 1846 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,1,1,0,0,0|1,0,1]=4 1847 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,1,1,0,0,0|1,0,1]=4 1848 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,1,1,0,0,0|1,0,1]=4 1849 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,1,1,0,0,0|2,0,0]=4 1850 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,1,0,0,0|2,0,0]=4 1851 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,1,1,0,0,0|1,0,1]=4 1852 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,1,1,0,0,0|1,0,1]=4 1853 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,1,1,0,0,0|1,0,1]=4 1854 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,1,1,0,0,0|1,0,1]=4 1855 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [0,1,1,0,0,0|0,0,0]=2 1856 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [0,1,1,0,0,0|0,0,0]=2 1857 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,1,1,0,0,0|1,0,0]=3 1858 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,1,1,0,0,0|1,0,0]=3 1859 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [0,1,1,0,0,0|0,0,0]=2 1860 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [0,1,1,0,0,0|0,0,0]=2 1861 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [0,1,1,0,0,0|0,0,0]=2 1862 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [0,1,1,0,0,0|0,0,0]=2 1863 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [0,1,1,0,0,0|0,0,0]=2 1864 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [0,1,1,0,0,0|0,0,0]=2 1865 B7R0.10 CCC(C)N(C)CF 269982a_100000741768_100015361967 [0,1,1,0,0,0|1,0,0]=3 1866 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [0,1,1,0,0,0|0,0,0]=2 1867 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [0,1,1,0,0,0|0,0,0]=2 1868 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,1,1,0,0,0|1,0,1]=4 1869 B7R0.10 CCN(C)C(C)C#N 2230a_100000225621_100000184139 [0,1,1,0,0,0|1,0,1]=4 1870 B7R0.10 CCN(C)C(C)C#N 269982a_100000225621_100000703298 [0,1,1,0,0,0|1,0,1]=4 1871 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [0,1,1,0,0,0|1,0,0]=3 1872 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [0,1,1,0,0,0|1,0,0]=3 1873 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [0,1,1,0,0,0|1,0,0]=3 1874 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [0,1,1,0,0,0|1,0,0]=3 1875 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [0,1,1,0,0,0|1,0,0]=3 1876 B7R0.10 CCN(C)C(C)OC 269982a_100000225621_100009879195 [0,1,1,0,0,0|1,0,0]=3 1877 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [0,1,1,0,0,0|1,0,0]=3 1878 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [0,1,1,0,0,0|1,0,0]=3 1879 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [0,1,1,0,0,0|1,0,0]=3 1880 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [0,1,1,0,0,0|1,0,1]=4 1881 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [0,1,1,0,0,0|1,0,1]=4 1882 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [0,1,1,0,0,0|1,0,1]=4 1883 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [0,1,1,0,0,0|1,0,1]=4 1884 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [0,1,1,0,0,0|1,0,1]=4 1885 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [0,1,1,0,0,0|1,0,1]=4 1886 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [0,1,1,0,0,0|1,0,1]=4 1887 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,1,1,0,0,0|1,0,1]=4 1888 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,1,1,0,0,0|1,0,1]=4 1889 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,1,1,0,0,0|1,0,1]=4 1890 B7R0.11 C#CC(C)(C)NCC 34a_100000054563_100000210202 [0,1,1,0,0,0|0,0,2]=4 1891 B7R0.11 CC(C)(CCBr)O[13CH3] 7a_100000702414_200025704644 [0,1,1,0,0,0|2,0,0]=4 1892 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [0,1,1,0,0,0|2,0,0]=4 1893 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [0,1,1,0,0,0|2,0,0]=4 1894 B7R0.11 CCC(C)(C)OCF 7a_100000210230_100015361967 [0,1,1,0,0,0|2,0,0]=4 1895 B7R0.11 CCC(C)(C)SCF 62a_100000032637_100015361967 [0,1,1,0,0,0|2,0,0]=4 1896 B7R0.11 CCC(C)(C)SCF 62a_100015361967_100000032637 [0,1,1,0,0,0|2,0,0]=4 1897 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [0,1,1,0,0,0|1,0,0]=3 1898 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [0,1,1,0,0,0|1,0,0]=3 1899 B7R0.11 CCCS(=O)(=O)NC 270084a_100102657272_100000211391 [0,1,1,0,0,0|2,0,0]=4 1900 B7R0.11 CCCS(=O)(=O)NC 274078a_100102657272_100000211391 [0,1,1,0,0,0|2,0,0]=4 1901 B7R0.11 CCCS(=O)(=O)NC 40a_100102657272_100000054278 [0,1,1,0,0,0|2,0,0]=4 1902 B7R0.11 CCNC(C)(C)CC 2230a_100000211385_100000210202 [0,1,1,0,0,0|0,0,0]=2 1903 B7R0.11 CCNC(C)(C)CO 2230a_100000210608_100000210202 [0,1,1,0,0,0|1,0,0]=3 1904 B7R0.11 CCNS(=O)(=O)CC 270084a_100015525214_100000211323 [0,1,1,0,0,0|2,0,0]=4 1905 B7R0.11 CCNS(=O)(=O)CC 274078a_100015525214_100000211323 [0,1,1,0,0,0|2,0,0]=4 1906 B7R0.11 CCNS(=O)(=O)CC 40a_100015525214_100000053943 [0,1,1,0,0,0|2,0,0]=4 1907 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [0,1,1,0,0,0|1,0,0]=3 1908 B7R0.11 CCOC(C)(C)CCl 7a_100000764493_100000210202 [0,1,1,0,0,0|2,0,0]=4 1909 B7R0.11 CCSC(C)(C)CC 62a_100000032637_100000210202 [0,1,1,0,0,0|1,0,0]=3 1910 B7R0.11 CCSC(C)(C)CC 62a_100000210202_100000032637 [0,1,1,0,0,0|1,0,0]=3 1911 B7R0.11 CNC(C)(C)COC 2230a_100000752728_200000210301 [0,1,1,0,0,0|1,0,0]=3 1912 B7R0.11 CNC(C)(C)CSC 2230a_100000759623_200000210301 [0,1,1,0,0,0|1,0,0]=3 1913 B7R0.11 CNC(C)(C)CSC 7a_100000759623_200000210301 [0,1,1,0,0,0|1,0,0]=3 1914 B7R0.11 CNCC(C)(C)OC 2230a_100000763424_200000210301 [0,1,1,0,0,0|2,0,0]=4 1915 B7R0.11 CNCC(C)(C)OC 34a_100102657272_100000701081 [0,1,1,0,0,0|2,0,0]=4 1916 B7R0.11 CNCC(C)(C)SC 270004a_106832991635_100009845794 [0,1,1,0,0,0|2,0,0]=4 1917 B7R0.11 COC(C)(C)CCBr 7a_100000702414_200000210301 [0,1,1,0,0,0|2,0,0]=4 1918 B7R0.11 COC(C)(C)CN[13CH3] 2230a_100000763424_200025704644 [0,1,1,0,0,0|2,0,0]=4 1919 B7R0.11 COC(C)(C)CSC 62a_100000701081_200000210301 [0,1,1,0,0,0|2,0,0]=4 1920 B7R0.11 COC(C)(C)CSC 62a_200000210301_100000701081 [0,1,1,0,0,0|2,0,0]=4 1921 B7R0.11 COC(C)(C)CS[13CH3] 62a_100000701081_200025704644 [0,1,1,0,0,0|2,0,0]=4 1922 B7R0.11 COC(C)(C)CS[13CH3] 62a_200025704644_100000701081 [0,1,1,0,0,0|2,0,0]=4 1923 B7R0.11 COCC(C)(C)N[13CH3] 2230a_100000752728_200025704644 [0,1,1,0,0,0|1,0,0]=3 1924 B7R0.11 COCC(C)(C)OC 34a_100138415774_100000701081 [0,1,1,0,0,0|2,0,0]=4 1925 B7R0.11 CSCC(C)(C)N[13CH3] 2230a_100000759623_200025704644 [0,1,1,0,0,0|1,0,0]=3 1926 B7R0.11 CSCC(C)(C)N[13CH3] 7a_100000759623_200025704644 [0,1,1,0,0,0|1,0,0]=3 1927 B7R0.12 C#CC(CC)OCC 34a_100000758843_100000210202 [0,1,1,0,0,0|1,0,1]=4 1928 B7R0.12 C#CC(CC)OCC 7a_100000758843_100000210202 [0,1,1,0,0,0|1,0,1]=4 1929 B7R0.12 C#CC(CCC)OC 34a_200011217317_200000210301 [0,1,1,0,0,0|1,0,1]=4 1930 B7R0.12 C#CC(CCC)OC 7a_200011217317_200000210301 [0,1,1,0,0,0|1,0,1]=4 1931 B7R0.12 C#CC(CCC)O[13CH3] 34a_200011217317_200025704644 [0,1,1,0,0,0|1,0,1]=4 1932 B7R0.12 C#CC(CCC)O[13CH3] 7a_200011217317_200025704644 [0,1,1,0,0,0|1,0,1]=4 1933 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [0,1,1,0,0,0|1,0,1]=4 1934 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [0,1,1,0,0,0|1,0,1]=4 1935 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [0,1,1,0,0,0|1,0,1]=4 1936 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [0,1,1,0,0,0|1,0,1]=4 1937 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [0,1,1,0,0,0|1,0,1]=4 1938 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [0,1,1,0,0,0|1,0,1]=4 1939 B7R0.12 C=CC[C@H](CO)NC 2230a_100020615467_200000210301 [0,1,1,0,0,0|0,0,2]=4 1940 B7R0.12 C=CC[C@H](CO)N[13CH3] 2230a_100020615467_200025704644 [0,1,1,0,0,0|0,0,2]=4 1941 B7R0.12 C=C[C@@H](CO)NCC 2230a_100016989147_100000210202 [0,1,1,0,0,0|0,0,2]=4 1942 B7R0.12 C=C[C@@H](CO)NCC 34a_100016989147_100000210202 [0,1,1,0,0,0|0,0,2]=4 1943 B7R0.12 CC#CC(CC)OC 34a_200011219922_200000210301 [0,1,1,0,0,0|1,0,1]=4 1944 B7R0.12 CC#CC(CC)OC 7a_200011219922_200000210301 [0,1,1,0,0,0|1,0,1]=4 1945 B7R0.12 CC#CC(CC)O[13CH3] 34a_200011219922_200025704644 [0,1,1,0,0,0|1,0,1]=4 1946 B7R0.12 CC#CC(CC)O[13CH3] 7a_200011219922_200025704644 [0,1,1,0,0,0|1,0,1]=4 1947 B7R0.12 CCC(CC)CNC 2230a_100102946423_200000210301 [0,1,1,0,0,0|2,0,0]=4 1948 B7R0.12 CCC(CC)CNC 2230a_106832991635_100011215472 [0,1,1,0,0,0|2,0,0]=4 1949 B7R0.12 CCC(CC)CNC 269862a_106832991636_100000211137 [0,1,1,0,0,0|2,0,0]=4 1950 B7R0.12 CCC(CC)CNC 270004a_106832991635_100000211137 [0,1,1,0,0,0|2,0,0]=4 1951 B7R0.12 CCC(CC)CNC 34a_100102657272_100011215472 [0,1,1,0,0,0|2,0,0]=4 1952 B7R0.12 CCC(CC)CNC 7a_106832991635_100011215472 [0,1,1,0,0,0|2,0,0]=4 1953 B7R0.12 CCC(CC)CN[13CH3] 2230a_100102946423_200025704644 [0,1,1,0,0,0|2,0,0]=4 1954 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [0,1,1,0,0,0|2,0,0]=4 1955 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [0,1,1,0,0,0|2,0,0]=4 1956 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [0,1,1,0,0,0|2,0,0]=4 1957 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [0,1,1,0,0,0|2,0,0]=4 1958 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [0,1,1,0,0,0|2,0,0]=4 1959 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [0,1,1,0,0,0|2,0,0]=4 1960 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [0,1,1,0,0,0|2,0,0]=4 1961 B7R0.12 CCC(CC)OCF 7a_100000688536_100015361967 [0,1,1,0,0,0|2,0,0]=4 1962 B7R0.12 CCC(CC)SCF 62a_100000210505_100015361967 [0,1,1,0,0,0|2,0,0]=4 1963 B7R0.12 CCC(CC)SCF 62a_100015361967_100000210505 [0,1,1,0,0,0|2,0,0]=4 1964 B7R0.12 CCC(COC)NC 2230a_100000757820_200000210301 [0,1,1,0,0,0|1,0,0]=3 1965 B7R0.12 CCC(COC)NC 270004a_106832991635_100000757811 [0,1,1,0,0,0|1,0,0]=3 1966 B7R0.12 CCC(COC)N[13CH3] 2230a_100000757820_200025704644 [0,1,1,0,0,0|1,0,0]=3 1967 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [0,1,1,0,0,0|2,0,0]=4 1968 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [0,1,1,0,0,0|2,0,0]=4 1969 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [0,1,1,0,0,0|2,0,0]=4 1970 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [0,1,1,0,0,0|2,0,0]=4 1971 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [0,1,1,0,0,0|2,0,0]=4 1972 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [0,1,1,0,0,0|2,0,0]=4 1973 B7R0.12 CCCC(C#N)OC 34a_100000686963_200000210301 [0,1,1,0,0,0|1,0,1]=4 1974 B7R0.12 CCCC(C#N)OC 7a_100000686963_200000210301 [0,1,1,0,0,0|1,0,1]=4 1975 B7R0.12 CCCC(C#N)O[13CH3] 34a_100000686963_200025704644 [0,1,1,0,0,0|1,0,1]=4 1976 B7R0.12 CCCC(C#N)O[13CH3] 7a_100000686963_200025704644 [0,1,1,0,0,0|1,0,1]=4 1977 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [0,1,1,0,0,0|0,0,0]=2 1978 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [0,1,1,0,0,0|0,0,0]=2 1979 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [0,1,1,0,0,0|0,0,0]=2 1980 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [0,1,1,0,0,0|0,0,0]=2 1981 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [0,1,1,0,0,0|1,0,0]=3 1982 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [0,1,1,0,0,0|1,0,0]=3 1983 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [0,1,1,0,0,0|1,0,0]=3 1984 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [0,1,1,0,0,0|1,0,0]=3 1985 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [0,1,1,0,0,0|1,0,0]=3 1986 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [0,1,1,0,0,0|1,0,0]=3 1987 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [0,1,1,0,0,0|1,0,0]=3 1988 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [0,1,1,0,0,0|1,0,0]=3 1989 B7R0.12 CCCN(CC)CC 2230a_100000226822_100000210202 [0,1,1,0,0,0|2,0,0]=4 1990 B7R0.12 CCCN(CC)CC 2230a_100000724800_100000210303 [0,1,1,0,0,0|2,0,0]=4 1991 B7R0.12 CCCN(CC)CC 269956a_100000042499_100000210207 [0,1,1,0,0,0|2,0,0]=4 1992 B7R0.12 CCCN(CC)CC 269982a_100000226822_100000204670 [0,1,1,0,0,0|2,0,0]=4 1993 B7R0.12 CCCN(CC)CC 269982a_100000724800_100000210303 [0,1,1,0,0,0|2,0,0]=4 1994 B7R0.12 CCCN(CC)CF 269982a_100000226822_100015361967 [0,1,1,0,0,0|2,0,0]=4 1995 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [0,1,1,0,0,0|0,0,0]=2 1996 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [0,1,1,0,0,0|0,0,0]=2 1997 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [0,1,1,0,0,0|0,0,0]=2 1998 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [0,1,1,0,0,0|0,0,0]=2 1999 B7R0.12 CCNC(CC)CC 2230a_100000199018_100000210202 [0,1,1,0,0,0|0,0,0]=2 2000 B7R0.12 CCNC(CC)CC 270004a_100015525214_100000210860 [0,1,1,0,0,0|0,0,0]=2 2001 B7R0.12 CCNC(CO)CO 2230a_100000759517_100000210202 [0,1,1,0,0,0|1,0,0]=3 2002 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [0,1,1,0,0,0|0,0,0]=2 2003 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [0,1,1,0,0,0|1,0,0]=3 2004 B7R0.12 CCOC(CCl)CCl 7a_100000737055_100000210202 [0,1,1,0,0,0|2,0,0]=4 2005 B7R0.12 CCOC(CF)CF 34a_100000032261_100000210202 [0,1,1,0,0,0|2,0,0]=4 2006 B7R0.12 CCOC(CF)CF 7a_100000032261_100000210202 [0,1,1,0,0,0|2,0,0]=4 2007 B7R0.12 CCOC(CN)CN 34a_100000031598_100000210202 [0,1,1,0,0,0|2,0,0]=4 2008 B7R0.12 CCO[C@@H](CF)CCl 34a_100015614560_100000210202 [0,1,1,0,0,0|2,0,0]=4 2009 B7R0.12 CCO[C@@H](CF)CCl 7a_100015614560_100000210202 [0,1,1,0,0,0|2,0,0]=4 2010 B7R0.12 CCSC(CC)CC 62a_100000210202_100000210505 [0,1,1,0,0,0|1,0,0]=3 2011 B7R0.12 CCSC(CC)CC 62a_100000210505_100000210202 [0,1,1,0,0,0|1,0,0]=3 2012 B7R0.12 CC[C@H](CC#N)NC 2230a_200009818565_200000210301 [0,1,1,0,0,0|1,0,1]=4 2013 B7R0.12 CC[C@H](CC#N)N[13CH3] 2230a_200009818565_200025704644 [0,1,1,0,0,0|1,0,1]=4 2014 B7R0.12 CNC(CO)COC 2230a_100000724102_200000210301 [0,1,1,0,0,0|1,0,0]=3 2015 B7R0.12 CNC(CO)COC 34a_100000724102_200000210301 [0,1,1,0,0,0|1,0,0]=3 2016 B7R0.12 CNCC(OC)OC 2230a_106832991635_100000751394 [0,1,1,0,0,0|2,0,0]=4 2017 B7R0.12 CNCC(OC)OC 270004a_106832991635_100000752162 [0,1,1,0,0,0|2,0,0]=4 2018 B7R0.12 CNCC(OC)OC 34a_100102657272_100000211822 [0,1,1,0,0,0|2,0,0]=4 2019 B7R0.12 CNCC(OC)OC 7a_106832991635_100000751394 [0,1,1,0,0,0|2,0,0]=4 2020 B7R0.12 COC(CO[13CH3])OC 34a_100011216393_200025704644 [0,1,1,0,0,0|2,0,0]=4 2021 B7R0.12 COC(CSC)OC 62a_100000751394_200000210301 [0,1,1,0,0,0|2,0,0]=4 2022 B7R0.12 COC(CSC)OC 62a_200000210301_100000751394 [0,1,1,0,0,0|2,0,0]=4 2023 B7R0.12 COC(CS[13CH3])OC 62a_100000751394_200025704644 [0,1,1,0,0,0|2,0,0]=4 2024 B7R0.12 COC(CS[13CH3])OC 62a_200025704644_100000751394 [0,1,1,0,0,0|2,0,0]=4 2025 B7R0.12 COCC(CCl)OC 34a_100011215053_200000210301 [0,1,1,0,0,0|2,0,0]=4 2026 B7R0.12 COCC(CCl)O[13CH3] 34a_100011215053_200025704644 [0,1,1,0,0,0|2,0,0]=4 2027 B7R0.12 COCC(CN)OC 34a_100000756049_200000210301 [0,1,1,0,0,0|2,0,0]=4 2028 B7R0.12 COCC(CN)O[13CH3] 34a_100000756049_200025704644 [0,1,1,0,0,0|2,0,0]=4 2029 B7R0.12 COCC(CO)N[13CH3] 2230a_100000724102_200025704644 [0,1,1,0,0,0|1,0,0]=3 2030 B7R0.12 COCC(CO)N[13CH3] 34a_100000724102_200025704644 [0,1,1,0,0,0|1,0,0]=3 2031 B7R0.12 COCC(OC)OC 34a_100011216393_200000210301 [0,1,1,0,0,0|2,0,0]=4 2032 B7R0.12 COCC(OC)OC 34a_100138415774_100000211822 [0,1,1,0,0,0|2,0,0]=4 2033 B7R0.4 C#CCCNC(C)C 2230a_100138425928_100000688953 [0,1,1,0,0,0|0,0,1]=3 2034 B7R0.4 C#CCCNC(C)C 34a_100000755551_100000210206 [0,1,1,0,0,0|0,0,1]=3 2035 B7R0.4 C#CCCNC(C)C 34a_100138425928_100000688953 [0,1,1,0,0,0|0,0,1]=3 2036 B7R0.4 C#CCCOC(C)C 34a_100000212225_100000688953 [0,1,1,0,0,0|1,0,1]=4 2037 B7R0.4 C#CCCOC(C)C 34a_100011215631_100000210206 [0,1,1,0,0,0|1,0,1]=4 2038 B7R0.4 C#CCCSC(C)C 62a_100000210206_100000688953 [0,1,1,0,0,0|1,0,1]=4 2039 B7R0.4 C#CCCSC(C)C 62a_100000688953_100000210206 [0,1,1,0,0,0|1,0,1]=4 2040 B7R0.4 C#CCNCC(C)C 2230a_100000210953_100000038162 [0,1,1,0,0,0|0,0,2]=4 2041 B7R0.4 C#CCNCC(C)C 34a_100000210953_100000184674 [0,1,1,0,0,0|0,0,2]=4 2042 B7R0.4 C#CCNCC(C)C 34a_100000212058_100000210624 [0,1,1,0,0,0|0,0,2]=4 2043 B7R0.4 C#CCOC[C@@H](C)N 34a_100000737577_100000184674 [0,1,1,0,0,0|0,0,2]=4 2044 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [0,1,1,0,0,0|0,0,1]=3 2045 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [0,1,1,0,0,0|1,0,1]=4 2046 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [0,1,1,0,0,0|1,0,1]=4 2047 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [0,1,1,0,0,0|1,0,1]=4 2048 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [0,1,1,0,0,0|1,0,1]=4 2049 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,1,1,0,0,0|1,0,1]=4 2050 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,1,1,0,0,0|1,0,1]=4 2051 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,1,1,0,0,0|1,0,1]=4 2052 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,1,1,0,0,0|1,0,1]=4 2053 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,1,1,0,0,0|1,0,1]=4 2054 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,1,1,0,0,0|1,0,1]=4 2055 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,1,1,0,0,0|1,0,1]=4 2056 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,1,1,0,0,0|1,0,1]=4 2057 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,1,1,0,0,0|1,0,1]=4 2058 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [0,1,1,0,0,0|0,0,1]=3 2059 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [0,1,1,0,0,0|0,0,1]=3 2060 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [0,1,1,0,0,0|0,0,1]=3 2061 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [0,1,1,0,0,0|1,0,1]=4 2062 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [0,1,1,0,0,0|1,0,1]=4 2063 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [0,1,1,0,0,0|1,0,1]=4 2064 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [0,1,1,0,0,0|1,0,1]=4 2065 B7R0.4 C=CCNCC(C)C 2230a_100000210953_100000210623 [0,1,1,0,0,0|0,0,2]=4 2066 B7R0.4 C=CCNCC(C)C 2230a_100020586998_100000210760 [0,1,1,0,0,0|0,0,2]=4 2067 B7R0.4 C=CCNCC(C)C 270004a_100020586998_100000210432 [0,1,1,0,0,0|0,0,2]=4 2068 B7R0.4 C=CCNCC(C)C 34a_100000210953_100015514636 [0,1,1,0,0,0|0,0,2]=4 2069 B7R0.4 C=CCOC[C@@H](C)N 34a_100000737577_100015514636 [0,1,1,0,0,0|0,0,2]=4 2070 B7R0.4 CC#CCNC(C)C 2230a_100000685387_100000210206 [0,1,1,0,0,0|0,0,1]=3 2071 B7R0.4 CC#CCNC(C)C 2230a_100138425928_100000748600 [0,1,1,0,0,0|0,0,1]=3 2072 B7R0.4 CC#CCNC(C)C 34a_100000685387_100000210206 [0,1,1,0,0,0|0,0,1]=3 2073 B7R0.4 CC#CCNC(C)C 34a_100138425928_100000748600 [0,1,1,0,0,0|0,0,1]=3 2074 B7R0.4 CC#CCOC(C)C 34a_100000212225_100000748600 [0,1,1,0,0,0|1,0,1]=4 2075 B7R0.4 CC#CCOC(C)C 34a_100000761923_100000210206 [0,1,1,0,0,0|1,0,1]=4 2076 B7R0.4 CC#CCSC(C)C 62a_100000210206_100000748600 [0,1,1,0,0,0|1,0,1]=4 2077 B7R0.4 CC#CCSC(C)C 62a_100000748600_100000210206 [0,1,1,0,0,0|1,0,1]=4 2078 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [0,1,1,0,0,0|1,0,1]=4 2079 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [0,1,1,0,0,0|1,0,1]=4 2080 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,1,1,0,0,0|1,0,1]=4 2081 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,1,1,0,0,0|1,0,1]=4 2082 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,1,1,0,0,0|1,0,1]=4 2083 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,1,1,0,0,0|1,0,1]=4 2084 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,1,1,0,0,0|1,0,1]=4 2085 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,1,1,0,0,0|1,0,1]=4 2086 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,1,1,0,0,0|1,0,1]=4 2087 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,1,1,0,0,0|1,0,1]=4 2088 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,1,1,0,0,0|1,0,1]=4 2089 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,1,1,0,0,0|1,0,1]=4 2090 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,1,1,0,0,0|1,0,1]=4 2091 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,1,1,0,0,0|1,0,1]=4 2092 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,1,1,0,0,0|1,0,1]=4 2093 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,1,1,0,0,0|1,0,1]=4 2094 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,1,1,0,0,0|1,0,1]=4 2095 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,1,1,0,0,0|1,0,1]=4 2096 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,1,1,0,0,0|1,0,1]=4 2097 B7R0.4 CC(Br)CCOCF 34a_100009893172_100015361967 [0,1,1,0,0,0|2,0,0]=4 2098 B7R0.4 CC(Br)COCCF 34a_100012180447_100011217306 [0,1,1,0,0,0|2,0,0]=4 2099 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [0,1,1,0,0,0|2,0,0]=4 2100 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [0,1,1,0,0,0|1,0,0]=3 2101 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [0,1,1,0,0,0|1,0,0]=3 2102 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [0,1,1,0,0,0|1,0,0]=3 2103 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [0,1,1,0,0,0|1,0,0]=3 2104 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [0,1,1,0,0,0|1,0,0]=3 2105 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [0,1,1,0,0,0|1,0,0]=3 2106 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [0,1,1,0,0,0|2,0,0]=4 2107 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [0,1,1,0,0,0|2,0,0]=4 2108 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [0,1,1,0,0,0|2,0,0]=4 2109 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [0,1,1,0,0,0|2,0,0]=4 2110 B7R0.4 CC(C)CNCC#N 2230a_100000210953_100011215382 [0,1,1,0,0,0|1,0,1]=4 2111 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,1,1,0,0,0|1,0,1]=4 2112 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,1,1,0,0,0|1,0,1]=4 2113 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [0,1,1,0,0,0|1,0,0]=3 2114 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [0,1,1,0,0,0|1,0,0]=3 2115 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [0,1,1,0,0,0|1,0,0]=3 2116 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [0,1,1,0,0,0|1,0,0]=3 2117 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [0,1,1,0,0,0|1,0,0]=3 2118 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [0,1,1,0,0,0|1,0,0]=3 2119 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [0,1,1,0,0,0|1,0,0]=3 2120 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [0,1,1,0,0,0|1,0,0]=3 2121 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [0,1,1,0,0,0|2,0,0]=4 2122 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [0,1,1,0,0,0|2,0,0]=4 2123 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [0,1,1,0,0,0|2,0,0]=4 2124 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [0,1,1,0,0,0|2,0,0]=4 2125 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [0,1,1,0,0,0|2,0,0]=4 2126 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [0,1,1,0,0,0|2,0,0]=4 2127 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [0,1,1,0,0,0|2,0,0]=4 2128 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [0,1,1,0,0,0|2,0,0]=4 2129 B7R0.4 CC(C)NCCC#N 2230a_100138425928_100011215226 [0,1,1,0,0,0|0,0,1]=3 2130 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [0,1,1,0,0,0|0,0,0]=2 2131 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [0,1,1,0,0,0|0,0,0]=2 2132 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [0,1,1,0,0,0|0,0,0]=2 2133 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [0,1,1,0,0,0|0,0,0]=2 2134 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [0,1,1,0,0,0|0,0,0]=2 2135 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [0,1,1,0,0,0|0,0,0]=2 2136 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [0,1,1,0,0,0|0,0,0]=2 2137 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [0,1,1,0,0,0|1,0,0]=3 2138 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [0,1,1,0,0,0|1,0,0]=3 2139 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [0,1,1,0,0,0|1,0,0]=3 2140 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [0,1,1,0,0,0|1,0,0]=3 2141 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [0,1,1,0,0,0|1,0,0]=3 2142 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [0,1,1,0,0,0|1,0,0]=3 2143 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [0,1,1,0,0,0|1,0,0]=3 2144 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [0,1,1,0,0,0|1,0,0]=3 2145 B7R0.4 CC(C)OCCON 34a_100000700252_100000210206 [0,1,1,0,0,0|2,0,0]=4 2146 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [0,1,1,0,0,0|1,0,0]=3 2147 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [0,1,1,0,0,0|1,0,0]=3 2148 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [0,1,1,0,0,0|1,0,0]=3 2149 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [0,1,1,0,0,0|1,0,0]=3 2150 B7R0.4 CC(C)OCSCF 62a_100000709892_100015361967 [0,1,1,0,0,0|2,0,0]=4 2151 B7R0.4 CC(C)OCSCF 62a_100015361967_100000709892 [0,1,1,0,0,0|2,0,0]=4 2152 B7R0.4 CC(C)SCCC#N 62a_100000210206_100011215226 [0,1,1,0,0,0|1,0,1]=4 2153 B7R0.4 CC(C)SCCC#N 62a_100011215226_100000210206 [0,1,1,0,0,0|1,0,1]=4 2154 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [0,1,1,0,0,0|1,0,0]=3 2155 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [0,1,1,0,0,0|1,0,0]=3 2156 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [0,1,1,0,0,0|1,0,0]=3 2157 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [0,1,1,0,0,0|1,0,0]=3 2158 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [0,1,1,0,0,0|1,0,0]=3 2159 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [0,1,1,0,0,0|1,0,0]=3 2160 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [0,1,1,0,0,0|1,0,0]=3 2161 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [0,1,1,0,0,0|1,0,0]=3 2162 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [0,1,1,0,0,0|1,0,0]=3 2163 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [0,1,1,0,0,0|1,0,0]=3 2164 B7R0.4 CC(F)COCCF 34a_100015925927_100011217306 [0,1,1,0,0,0|2,0,0]=4 2165 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [0,1,1,0,0,0|2,0,0]=4 2166 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,1,1,0,0,0|1,0,0]=3 2167 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,1,1,0,0,0|1,0,0]=3 2168 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [0,1,1,0,0,0|2,0,0]=4 2169 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [0,1,1,0,0,0|2,0,0]=4 2170 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [0,1,1,0,0,0|2,0,0]=4 2171 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [0,1,1,0,0,0|2,0,0]=4 2172 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [0,1,1,0,0,0|2,0,0]=4 2173 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [0,1,1,0,0,0|2,0,0]=4 2174 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [0,1,1,0,0,0|2,0,0]=4 2175 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [0,1,1,0,0,0|2,0,0]=4 2176 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [0,1,1,0,0,0|2,0,0]=4 2177 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [0,1,1,0,0,0|2,0,0]=4 2178 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [0,1,1,0,0,0|2,0,0]=4 2179 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [0,1,1,0,0,0|2,0,0]=4 2180 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [0,1,1,0,0,0|2,0,0]=4 2181 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [0,1,1,0,0,0|2,0,0]=4 2182 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [0,1,1,0,0,0|2,0,0]=4 2183 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [0,1,1,0,0,0|0,0,1]=3 2184 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [0,1,1,0,0,0|0,0,1]=3 2185 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [0,1,1,0,0,0|1,0,1]=4 2186 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [0,1,1,0,0,0|1,0,1]=4 2187 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [0,1,1,0,0,0|1,0,1]=4 2188 B7R0.4 CCC=NNC(C)C 4a_100000741168_100000210100 [0,1,1,0,0,0|0,0,1]=3 2189 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,1,1,0,0,0|1,0,1]=4 2190 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,1,1,0,0,0|1,0,1]=4 2191 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,1,1,0,0,0|1,0,1]=4 2192 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [0,1,1,0,0,0|2,0,0]=4 2193 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [0,1,1,0,0,0|2,0,0]=4 2194 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [0,1,1,0,0,0|2,0,0]=4 2195 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [0,1,1,0,0,0|2,0,0]=4 2196 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [0,1,1,0,0,0|2,0,0]=4 2197 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [0,1,1,0,0,0|2,0,0]=4 2198 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,1,1,0,0,0|1,0,1]=4 2199 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,1,1,0,0,0|1,0,1]=4 2200 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,1,1,0,0,0|1,0,1]=4 2201 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,1,1,0,0,0|1,0,1]=4 2202 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [0,1,1,0,0,0|0,0,0]=2 2203 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [0,1,1,0,0,0|0,0,0]=2 2204 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [0,1,1,0,0,0|0,0,0]=2 2205 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [0,1,1,0,0,0|0,0,0]=2 2206 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [0,1,1,0,0,0|1,0,0]=3 2207 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [0,1,1,0,0,0|1,0,0]=3 2208 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [0,1,1,0,0,0|1,0,0]=3 2209 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [0,1,1,0,0,0|1,0,0]=3 2210 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [0,1,1,0,0,0|1,0,0]=3 2211 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,1,1,0,0,0|1,0,1]=4 2212 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [0,1,1,0,0,0|0,0,0]=2 2213 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [0,1,1,0,0,0|0,0,0]=2 2214 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [0,1,1,0,0,0|0,0,0]=2 2215 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,1,1,0,0,0|1,0,0]=3 2216 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,1,1,0,0,0|1,0,0]=3 2217 B7R0.4 CCCNCC(F)F 34a_100000765723_100000210303 [0,1,1,0,0,0|2,0,0]=4 2218 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,1,1,0,0,0|1,0,1]=4 2219 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,1,1,0,0,0|1,0,1]=4 2220 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,1,1,0,0,0|1,0,1]=4 2221 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,1,1,0,0,0|1,0,1]=4 2222 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,1,1,0,0,0|1,0,1]=4 2223 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [0,1,1,0,0,0|1,0,0]=3 2224 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [0,1,1,0,0,0|1,0,0]=3 2225 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [0,1,1,0,0,0|1,0,0]=3 2226 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [0,1,1,0,0,0|1,0,0]=3 2227 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [0,1,1,0,0,0|1,0,0]=3 2228 B7R0.4 CCCOCC(F)F 34a_100000210258_100011934356 [0,1,1,0,0,0|2,0,0]=4 2229 B7R0.4 CCCOCC(F)F 34a_100000743014_100000210303 [0,1,1,0,0,0|2,0,0]=4 2230 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [0,1,1,0,0,0|1,0,0]=3 2231 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [0,1,1,0,0,0|0,0,0]=2 2232 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [0,1,1,0,0,0|1,0,0]=3 2233 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,1,1,0,0,0|1,0,1]=4 2234 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,1,1,0,0,0|1,0,1]=4 2235 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,1,1,0,0,0|1,0,1]=4 2236 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,1,1,0,0,0|1,0,1]=4 2237 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [0,1,1,0,0,0|1,0,0]=3 2238 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [0,1,1,0,0,0|1,0,0]=3 2239 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [0,1,1,0,0,0|1,0,0]=3 2240 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [0,1,1,0,0,0|1,0,0]=3 2241 B7R0.4 CCCSCC(F)F 62a_100000210303_100011934356 [0,1,1,0,0,0|2,0,0]=4 2242 B7R0.4 CCCSCC(F)F 62a_100011934356_100000210303 [0,1,1,0,0,0|2,0,0]=4 2243 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [0,1,1,0,0,0|1,0,0]=3 2244 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [0,1,1,0,0,0|1,0,0]=3 2245 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [0,1,1,0,0,0|1,0,1]=4 2246 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [0,1,1,0,0,0|1,0,1]=4 2247 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,1,1,0,0,0|1,0,1]=4 2248 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [0,1,1,0,0,0|1,0,0]=3 2249 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [0,1,1,0,0,0|1,0,0]=3 2250 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [0,1,1,0,0,0|1,0,0]=3 2251 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [0,1,1,0,0,0|1,0,0]=3 2252 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [0,1,1,0,0,0|1,0,0]=3 2253 B7R0.4 CCNN=CC(C)C 4a_100000756455_100000210432 [0,1,1,0,0,0|1,0,1]=4 2254 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [0,1,1,0,0,0|1,0,1]=4 2255 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [0,1,1,0,0,0|1,0,1]=4 2256 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,1,1,0,0,0|1,0,1]=4 2257 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,1,1,0,0,0|1,0,1]=4 2258 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,1,1,0,0,0|1,0,1]=4 2259 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,1,1,0,0,0|1,0,1]=4 2260 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,1,1,0,0,0|1,0,1]=4 2261 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,1,1,0,0,0|1,0,1]=4 2262 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,1,1,0,0,0|1,0,1]=4 2263 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,1,1,0,0,0|1,0,1]=4 2264 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [0,1,1,0,0,0|1,0,0]=3 2265 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [0,1,1,0,0,0|1,0,0]=3 2266 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [0,1,1,0,0,0|1,0,0]=3 2267 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [0,1,1,0,0,0|1,0,0]=3 2268 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,1,1,0,0,0|1,0,0]=3 2269 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [0,1,1,0,0,0|2,0,0]=4 2270 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [0,1,1,0,0,0|2,0,0]=4 2271 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [0,1,1,0,0,0|2,0,0]=4 2272 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [0,1,1,0,0,0|0,0,0]=2 2273 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [0,1,1,0,0,0|1,0,0]=3 2274 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [0,1,1,0,0,0|1,0,0]=3 2275 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [0,1,1,0,0,0|1,0,0]=3 2276 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [0,1,1,0,0,0|1,0,1]=4 2277 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [0,1,1,0,0,0|1,0,1]=4 2278 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,1,1,0,0,0|1,0,1]=4 2279 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,1,1,0,0,0|1,0,1]=4 2280 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,1,1,0,0,0|1,0,1]=4 2281 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,1,1,0,0,0|1,0,1]=4 2282 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,1,1,0,0,0|1,0,1]=4 2283 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,1,1,0,0,0|1,0,1]=4 2284 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,1,1,0,0,0|1,0,1]=4 2285 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [0,1,1,0,0,0|1,0,0]=3 2286 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [0,1,1,0,0,0|1,0,0]=3 2287 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [0,1,1,0,0,0|1,0,0]=3 2288 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [0,1,1,0,0,0|1,0,0]=3 2289 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [0,1,1,0,0,0|2,0,0]=4 2290 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [0,1,1,0,0,0|2,0,0]=4 2291 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [0,1,1,0,0,0|2,0,0]=4 2292 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [0,1,1,0,0,0|1,0,0]=3 2293 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [0,1,1,0,0,0|1,0,0]=3 2294 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [0,1,1,0,0,0|2,0,0]=4 2295 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [0,1,1,0,0,0|2,0,0]=4 2296 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [0,1,1,0,0,0|2,0,0]=4 2297 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [0,1,1,0,0,0|2,0,0]=4 2298 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [0,1,1,0,0,0|2,0,0]=4 2299 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [0,1,1,0,0,0|2,0,0]=4 2300 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [0,1,1,0,0,0|2,0,0]=4 2301 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [0,1,1,0,0,0|2,0,0]=4 2302 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [0,1,1,0,0,0|2,0,0]=4 2303 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [0,1,1,0,0,0|1,0,1]=4 2304 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [0,1,1,0,0,0|1,0,1]=4 2305 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [0,1,1,0,0,0|1,0,1]=4 2306 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,1,1,0,0,0|1,0,1]=4 2307 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,1,1,0,0,0|1,0,1]=4 2308 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,1,1,0,0,0|1,0,1]=4 2309 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,1,1,0,0,0|1,0,1]=4 2310 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,1,1,0,0,0|1,0,1]=4 2311 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [0,1,1,0,0,0|1,0,0]=3 2312 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [0,1,1,0,0,0|1,0,0]=3 2313 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [0,1,1,0,0,0|1,0,0]=3 2314 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [0,1,1,0,0,0|1,0,0]=3 2315 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [0,1,1,0,0,0|1,0,0]=3 2316 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,1,1,0,0,0|1,0,0]=3 2317 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,1,1,0,0,0|1,0,0]=3 2318 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,1,1,0,0,0|1,0,0]=3 2319 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [0,1,1,0,0,0|2,0,0]=4 2320 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [0,1,1,0,0,0|2,0,0]=4 2321 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,1,1,0,0,0|1,0,1]=4 2322 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,1,1,0,0,0|1,0,1]=4 2323 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,1,1,0,0,0|1,0,1]=4 2324 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [0,1,1,0,0,0|1,0,0]=3 2325 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [0,1,1,0,0,0|1,0,0]=3 2326 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [0,1,1,0,0,0|1,0,0]=3 2327 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [0,1,1,0,0,0|1,0,0]=3 2328 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [0,1,1,0,0,0|1,0,0]=3 2329 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [0,1,1,0,0,0|1,0,0]=3 2330 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [0,1,1,0,0,0|1,0,0]=3 2331 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [0,1,1,0,0,0|1,0,0]=3 2332 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [0,1,1,0,0,0|1,0,0]=3 2333 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [0,1,1,0,0,0|1,0,0]=3 2334 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [0,1,1,0,0,0|1,0,1]=4 2335 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,1,1,0,0,0|1,0,1]=4 2336 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,1,1,0,0,0|1,0,1]=4 2337 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,1,1,0,0,0|1,0,1]=4 2338 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,1,1,0,0,0|1,0,1]=4 2339 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,1,1,0,0,0|1,0,1]=4 2340 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,1,1,0,0,0|1,0,1]=4 2341 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,1,1,0,0,0|1,0,1]=4 2342 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [0,1,1,0,0,0|1,0,0]=3 2343 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [0,1,1,0,0,0|1,0,0]=3 2344 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [0,1,1,0,0,0|1,0,0]=3 2345 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,1,1,0,0,0|1,0,0]=3 2346 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [0,1,1,0,0,0|2,0,0]=4 2347 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [0,1,1,0,0,0|2,0,0]=4 2348 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [0,1,1,0,0,0|2,0,0]=4 2349 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [0,1,1,0,0,0|2,0,0]=4 2350 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [0,1,1,0,0,0|2,0,0]=4 2351 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [0,1,1,0,0,0|2,0,0]=4 2352 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,1,1,0,0,0|1,0,1]=4 2353 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,1,1,0,0,0|1,0,1]=4 2354 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,1,1,0,0,0|1,0,1]=4 2355 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,1,1,0,0,0|1,0,1]=4 2356 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [0,1,1,0,0,0|0,0,0]=2 2357 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [0,1,1,0,0,0|0,0,0]=2 2358 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [0,1,1,0,0,0|0,0,0]=2 2359 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [0,1,1,0,0,0|0,0,0]=2 2360 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [0,1,1,0,0,0|1,0,0]=3 2361 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [0,1,1,0,0,0|1,0,0]=3 2362 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [0,1,1,0,0,0|1,0,0]=3 2363 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [0,1,1,0,0,0|1,0,0]=3 2364 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [0,1,1,0,0,0|1,0,0]=3 2365 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [0,1,1,0,0,0|1,0,0]=3 2366 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [0,1,1,0,0,0|1,0,0]=3 2367 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [0,1,1,0,0,0|1,0,0]=3 2368 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [0,1,1,0,0,0|1,0,0]=3 2369 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [0,1,1,0,0,0|1,0,0]=3 2370 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [0,1,1,0,0,0|1,0,0]=3 2371 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [0,1,1,0,0,0|2,0,0]=4 2372 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [0,1,1,0,0,0|2,0,0]=4 2373 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [0,1,1,0,0,0|2,0,0]=4 2374 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [0,1,1,0,0,0|2,0,0]=4 2375 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [0,1,1,0,0,0|2,0,0]=4 2376 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [0,1,1,0,0,0|2,0,0]=4 2377 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [0,1,1,0,0,0|2,0,0]=4 2378 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [0,1,1,0,0,0|2,0,0]=4 2379 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [0,1,1,0,0,0|1,0,1]=4 2380 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [0,1,1,0,0,0|1,0,1]=4 2381 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,1,1,0,0,0|1,0,1]=4 2382 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,1,1,0,0,0|1,0,1]=4 2383 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,1,1,0,0,0|1,0,1]=4 2384 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,1,1,0,0,0|1,0,1]=4 2385 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,1,1,0,0,0|1,0,1]=4 2386 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,1,1,0,0,0|1,0,1]=4 2387 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [0,1,1,0,0,0|1,0,0]=3 2388 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [0,1,1,0,0,0|1,0,0]=3 2389 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,1,1,0,0,0|1,0,0]=3 2390 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,1,1,0,0,0|1,0,0]=3 2391 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [0,1,1,0,0,0|2,0,0]=4 2392 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,1,1,0,0,0|1,0,1]=4 2393 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,1,1,0,0,0|1,0,1]=4 2394 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,1,1,0,0,0|1,0,1]=4 2395 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,1,1,0,0,0|1,0,1]=4 2396 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,1,1,0,0,0|1,0,1]=4 2397 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,1,1,0,0,0|1,0,1]=4 2398 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [0,1,1,0,0,0|0,0,0]=2 2399 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [0,1,1,0,0,0|0,0,0]=2 2400 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [0,1,1,0,0,0|0,0,0]=2 2401 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [0,1,1,0,0,0|1,0,0]=3 2402 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [0,1,1,0,0,0|1,0,0]=3 2403 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [0,1,1,0,0,0|1,0,0]=3 2404 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [0,1,1,0,0,0|1,0,0]=3 2405 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [0,1,1,0,0,0|1,0,0]=3 2406 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [0,1,1,0,0,0|1,0,0]=3 2407 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [0,1,1,0,0,0|1,0,0]=3 2408 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [0,1,1,0,0,0|1,0,0]=3 2409 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [0,1,1,0,0,0|1,0,0]=3 2410 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [0,1,1,0,0,0|1,0,0]=3 2411 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [0,1,1,0,0,0|1,0,0]=3 2412 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [0,1,1,0,0,0|2,0,0]=4 2413 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [0,1,1,0,0,0|2,0,0]=4 2414 B7R0.4 CSCOCC(C)Br 34a_100012180447_100011218213 [0,1,1,0,0,0|2,0,0]=4 2415 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [0,1,1,0,0,0|2,0,0]=4 2416 B7R0.4 CSCOCC(C)F 34a_100015925927_100011218213 [0,1,1,0,0,0|2,0,0]=4 2417 B7R0.4 CSCOC[C@@H](C)Cl 34a_100016084084_100011218213 [0,1,1,0,0,0|2,0,0]=4 2418 B7R0.4 CSCOC[C@@H](C)N 34a_100000737577_100011218213 [0,1,1,0,0,0|1,0,0]=3 2419 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [0,1,1,0,0,0|2,0,0]=4 2420 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [0,1,1,0,0,0|2,0,0]=4 2421 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [0,1,1,0,0,0|2,0,0]=4 2422 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [0,1,1,0,0,0|2,0,0]=4 2423 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [0,1,1,0,0,0|2,0,0]=4 2424 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [0,1,1,0,0,0|2,0,0]=4 2425 B7R0.4 C[C@@H](Cl)COCCF 34a_100016084084_100011217306 [0,1,1,0,0,0|2,0,0]=4 2426 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [0,1,1,0,0,0|2,0,0]=4 2427 B7R0.4 C[C@@H](N)CCOCF 34a_100000706166_100015361967 [0,1,1,0,0,0|1,0,0]=3 2428 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [0,1,1,0,0,0|1,0,1]=4 2429 B7R0.4 C[C@@H](N)COCCF 34a_100000737577_100011217306 [0,1,1,0,0,0|1,0,0]=3 2430 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [0,1,1,0,0,0|1,0,0]=3 2431 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [0,1,1,0,0,0|2,0,0]=4 2432 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [0,1,1,0,0,0|2,0,0]=4 2433 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [0,1,1,0,0,0|2,0,0]=4 2434 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [0,1,1,0,0,0|2,0,0]=4 2435 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [0,1,1,0,0,0|2,0,0]=4 2436 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [0,1,1,0,0,0|2,0,0]=4 2437 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [0,1,1,0,0,0|2,0,0]=4 2438 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [0,1,1,0,0,0|2,0,0]=4 2439 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [0,1,1,0,0,0|2,0,0]=4 2440 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,1,1,0,0,0|1,0,1]=4 2441 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,1,1,0,0,0|1,0,1]=4 2442 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,1,1,0,0,0|1,0,1]=4 2443 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,1,1,0,0,0|1,0,1]=4 2444 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,1,1,0,0,0|0,0,1]=3 2445 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,1,1,0,0,0|0,0,1]=3 2446 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,1,1,0,0,0|1,0,1]=4 2447 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,1,1,0,0,0|1,0,1]=4 2448 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,1,1,0,0,0|1,0,1]=4 2449 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,1,1,0,0,0|1,0,1]=4 2450 B7R0.6 C=C(F)CNC(C)C 2230a_100138425928_100009893438 [0,1,1,0,0,0|0,0,2]=4 2451 B7R0.6 C=C(F)CNC(C)C 34a_100138425928_100009893438 [0,1,1,0,0,0|0,0,2]=4 2452 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,1,1,0,0,0|1,0,1]=4 2453 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,1,1,0,0,0|1,0,1]=4 2454 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,1,1,0,0,0|1,0,1]=4 2455 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,1,1,0,0,0|1,0,1]=4 2456 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,1,1,0,0,0|1,0,1]=4 2457 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,1,1,0,0,0|1,0,1]=4 2458 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,1,1,0,0,0|1,0,1]=4 2459 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,1,1,0,0,0|1,0,1]=4 2460 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,1,1,0,0,0|1,0,1]=4 2461 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,1,1,0,0,0|1,0,1]=4 2462 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,1,1,0,0,0|1,0,1]=4 2463 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,1,1,0,0,0|1,0,1]=4 2464 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,1,1,0,0,0|1,0,1]=4 2465 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,1,1,0,0,0|1,0,1]=4 2466 B7R0.6 CC(Br)COC(C)C 34a_100012180447_100000210206 [0,1,1,0,0,0|1,0,0]=3 2467 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,1,1,0,0,0|1,0,1]=4 2468 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [0,1,1,0,0,0|2,0,0]=4 2469 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [0,1,1,0,0,0|2,0,0]=4 2470 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [0,1,1,0,0,0|2,0,0]=4 2471 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [0,1,1,0,0,0|2,0,0]=4 2472 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [0,1,1,0,0,0|2,0,0]=4 2473 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [0,1,1,0,0,0|2,0,0]=4 2474 B7R0.6 CC(C)CNC(C)C 2230a_100000210953_100000210206 [0,1,1,0,0,0|0,0,0]=2 2475 B7R0.6 CC(C)CNC(C)C 2230a_100138425928_100000210760 [0,1,1,0,0,0|0,0,0]=2 2476 B7R0.6 CC(C)CNC(C)C 34a_100000210953_100000210206 [0,1,1,0,0,0|0,0,0]=2 2477 B7R0.6 CC(C)CNC(C)C 34a_100138425928_100000210624 [0,1,1,0,0,0|0,0,0]=2 2478 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [0,1,1,0,0,0|1,0,0]=3 2479 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [0,1,1,0,0,0|1,0,0]=3 2480 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [0,1,1,0,0,0|1,0,0]=3 2481 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [0,1,1,0,0,0|1,0,0]=3 2482 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,1,1,0,0,0|1,0,1]=4 2483 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,1,1,0,0,0|1,0,1]=4 2484 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,1,1,0,0,0|1,0,1]=4 2485 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,1,1,0,0,0|1,0,1]=4 2486 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,1,1,0,0,0|1,0,1]=4 2487 B7R0.6 CC(C)NCC(F)F 2230a_100138425928_100011934356 [0,1,1,0,0,0|1,0,0]=3 2488 B7R0.6 CC(C)NCC(F)F 34a_100000765723_100000210206 [0,1,1,0,0,0|1,0,0]=3 2489 B7R0.6 CC(C)NCC(F)F 34a_100138425928_100011934356 [0,1,1,0,0,0|1,0,0]=3 2490 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,1,1,0,0,0|0,0,0]=2 2491 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,1,1,0,0,0|0,0,0]=2 2492 B7R0.6 CC(C)NC[N+](=O)[O-] 34a_100138425928_100000761209 [0,1,1,0,0,0|2,0,0]=4 2493 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,1,1,0,0,0|1,0,1]=4 2494 B7R0.6 CC(C)OCC(F)F 34a_100000212225_100011934356 [0,1,1,0,0,0|2,0,0]=4 2495 B7R0.6 CC(C)OCC(F)F 34a_100000743014_100000210206 [0,1,1,0,0,0|2,0,0]=4 2496 B7R0.6 CC(C)OCN(C)C 2230a_100102631434_100000709892 [0,1,1,0,0,0|2,0,0]=4 2497 B7R0.6 CC(C)OCN(C)C 269982a_100102631434_100000709892 [0,1,1,0,0,0|2,0,0]=4 2498 B7R0.6 CC(C)OC[C@@H](C)Cl 34a_100016084084_100000210206 [0,1,1,0,0,0|1,0,0]=3 2499 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [0,1,1,0,0,0|1,0,0]=3 2500 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,1,1,0,0,0|1,0,0]=3 2501 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,1,1,0,0,0|1,0,1]=4 2502 B7R0.6 CC(C)SCC(F)F 62a_100000210206_100011934356 [0,1,1,0,0,0|2,0,0]=4 2503 B7R0.6 CC(C)SCC(F)F 62a_100011934356_100000210206 [0,1,1,0,0,0|2,0,0]=4 2504 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,1,1,0,0,0|1,0,0]=3 2505 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,1,1,0,0,0|1,0,0]=3 2506 B7R0.6 CC(F)COC(C)C 34a_100015925927_100000210206 [0,1,1,0,0,0|1,0,0]=3 2507 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [0,1,1,0,0,0|2,0,0]=4 2508 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [0,1,1,0,0,0|2,0,0]=4 2509 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,1,1,0,0,0|0,0,0]=2 2510 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,1,1,0,0,0|0,0,0]=2 2511 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,1,1,0,0,0|0,0,0]=2 2512 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,1,1,0,0,0|0,0,0]=2 2513 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,1,1,0,0,0|1,0,0]=3 2514 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,1,1,0,0,0|1,0,0]=3 2515 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,1,1,0,0,0|1,0,0]=3 2516 B7R0.8 C#CCNC(C)(C)C 2230a_100000715429_100000038162 [0,1,1,0,0,0|0,0,2]=4 2517 B7R0.8 C#CCNC(C)(C)C 34a_100000212058_100000210625 [0,1,1,0,0,0|0,0,2]=4 2518 B7R0.8 C=CCNC(C)(C)C 2230a_100000715429_100000210623 [0,1,1,0,0,0|0,0,2]=4 2519 B7R0.8 CC(C)(C)CCN[13CH3] 2230a_100000738805_200025704644 [0,1,1,0,0,0|2,0,0]=4 2520 B7R0.8 CC(C)(C)CCO[13CH3] 7a_100000765024_200025704644 [0,1,1,0,0,0|2,0,0]=4 2521 B7R0.8 CC(C)(C)CCS[13CH3] 62a_100000755188_200025704644 [0,1,1,0,0,0|2,0,0]=4 2522 B7R0.8 CC(C)(C)CCS[13CH3] 62a_200025704644_100000755188 [0,1,1,0,0,0|2,0,0]=4 2523 B7R0.8 CC(C)(C)NCC#N 2230a_100000715429_100011215382 [0,1,1,0,0,0|1,0,1]=4 2524 B7R0.8 CC(C)(C)NCC=O 2230a_100000715429_200015260668 [0,1,1,0,0,0|1,0,1]=4 2525 B7R0.8 CC(C)(C)NCCF 2230a_100000715429_100011217306 [0,1,1,0,0,0|1,0,0]=3 2526 B7R0.8 CC(C)(C)NCCF 34a_100000724931_100000210625 [0,1,1,0,0,0|1,0,0]=3 2527 B7R0.8 CC(C)(C)NCCO 2230a_100000715429_100000211926 [0,1,1,0,0,0|1,0,0]=3 2528 B7R0.8 CC(C)(C)NCCO 34a_100016990907_100000210625 [0,1,1,0,0,0|1,0,0]=3 2529 B7R0.8 CC(C)(C)OCCBr 34a_100000211926_100000210625 [0,1,1,0,0,0|2,0,0]=4 2530 B7R0.8 CC(C)(C)OCCF 34a_100015890283_100011217306 [0,1,1,0,0,0|2,0,0]=4 2531 B7R0.8 CC(C)(C)OCCF 7a_100015890283_100011217306 [0,1,1,0,0,0|2,0,0]=4 2532 B7R0.8 CC(C)(C)OCCN 34a_100000210304_100000210625 [0,1,1,0,0,0|2,0,0]=4 2533 B7R0.8 CC(C)(C)OCCO 34a_100015890283_100000211926 [0,1,1,0,0,0|2,0,0]=4 2534 B7R0.8 CC(C)(C)OCCO 7a_100015890283_100000211926 [0,1,1,0,0,0|2,0,0]=4 2535 B7R0.8 CC(C)(C)SCCF 62a_100000211941_100011217306 [0,1,1,0,0,0|2,0,0]=4 2536 B7R0.8 CC(C)(C)SCCF 62a_100011217306_100000211941 [0,1,1,0,0,0|2,0,0]=4 2537 B7R0.8 CC(C)(C)SCCO 62a_100000211926_100000211941 [0,1,1,0,0,0|2,0,0]=4 2538 B7R0.8 CC(C)(C)SCCO 62a_100000211941_100000211926 [0,1,1,0,0,0|2,0,0]=4 2539 B7R0.8 CC(C)(F)CCN[13CH3] 2230a_100016253952_200025704644 [0,1,1,0,0,0|2,0,0]=4 2540 B7R0.8 CC(C)(O)CCS[13CH3] 62a_100000702414_200025704644 [0,1,1,0,0,0|2,0,0]=4 2541 B7R0.8 CC(C)(O)CCS[13CH3] 62a_200025704644_100000702414 [0,1,1,0,0,0|2,0,0]=4 2542 B7R0.8 CC=NNC(C)(C)C 4a_100000725372_200000210099 [0,1,1,0,0,0|1,0,1]=4 2543 B7R0.8 CCCNC(C)(C)C 2230a_100000715429_100000210303 [0,1,1,0,0,0|0,0,0]=2 2544 B7R0.8 CCCNS(=O)(=O)C 40a_100020643023_100000738038 [0,1,1,0,0,0|2,0,0]=4 2545 B7R0.8 CCCOC(C)(C)C 34a_100000210258_100000210625 [0,1,1,0,0,0|1,0,0]=3 2546 B7R0.8 CCCOC(C)(C)C 34a_100015890283_100000210303 [0,1,1,0,0,0|1,0,0]=3 2547 B7R0.8 CCCOC(C)(C)C 7a_100015890283_100000210303 [0,1,1,0,0,0|1,0,0]=3 2548 B7R0.8 CCCSC(C)(C)C 62a_100000210303_100000211941 [0,1,1,0,0,0|1,0,0]=3 2549 B7R0.8 CCCSC(C)(C)C 62a_100000211941_100000210303 [0,1,1,0,0,0|1,0,0]=3 2550 B7R0.8 CCNCC(C)(C)C 2230a_100000743828_100000210202 [0,1,1,0,0,0|2,0,0]=4 2551 B7R0.8 CCNCC(C)(C)C 270004a_100015525214_100011204126 [0,1,1,0,0,0|2,0,0]=4 2552 B7R0.8 CCNCC(C)(C)F 2230a_100020643315_100000210202 [0,1,1,0,0,0|2,0,0]=4 2553 B7R0.8 CCNCC(C)(C)O 2230a_100000751335_100000210202 [0,1,1,0,0,0|2,0,0]=4 2554 B7R0.8 CCOCC(C)(C)C 34a_100121572206_100011219605 [0,1,1,0,0,0|2,0,0]=4 2555 B7R0.8 CCOCC(C)(C)F 34a_100000716592_100000210202 [0,1,1,0,0,0|2,0,0]=4 2556 B7R0.8 CCOCC(C)(C)F 34a_100121572206_100011997219 [0,1,1,0,0,0|2,0,0]=4 2557 B7R0.8 CCOCC(C)(C)O 34a_100121572206_100000764493 [0,1,1,0,0,0|2,0,0]=4 2558 B7R0.8 CCOCC(C)(F)F 34a_100000068830_100000210202 [0,1,1,0,0,0|2,0,0]=4 2559 B7R0.8 CCSCC(C)(C)C 62a_100000210202_100011219605 [0,1,1,0,0,0|2,0,0]=4 2560 B7R0.8 CCSCC(C)(C)C 62a_100011219605_100000210202 [0,1,1,0,0,0|2,0,0]=4 2561 B7R0.8 CCSCC(C)(C)F 62a_100000210202_100011997219 [0,1,1,0,0,0|2,0,0]=4 2562 B7R0.8 CCSCC(C)(C)F 62a_100011997219_100000210202 [0,1,1,0,0,0|2,0,0]=4 2563 B7R0.8 CCSCC(C)(C)O 62a_100000210202_100000764493 [0,1,1,0,0,0|2,0,0]=4 2564 B7R0.8 CCSCC(C)(C)O 62a_100000764493_100000210202 [0,1,1,0,0,0|2,0,0]=4 2565 B7R0.8 CNCCC(C)(C)C 2230a_100000738805_200000210301 [0,1,1,0,0,0|2,0,0]=4 2566 B7R0.8 CNCCC(C)(C)C 2230a_106832991635_100000755188 [0,1,1,0,0,0|2,0,0]=4 2567 B7R0.8 CNCCC(C)(C)C 34a_100102657272_100000755188 [0,1,1,0,0,0|2,0,0]=4 2568 B7R0.8 CNCCC(C)(C)C 7a_106832991635_100000755188 [0,1,1,0,0,0|2,0,0]=4 2569 B7R0.8 CNCCC(C)(C)F 2230a_100016253952_200000210301 [0,1,1,0,0,0|2,0,0]=4 2570 B7R0.8 CNCCC(C)(C)O 2230a_106832991635_100000702414 [0,1,1,0,0,0|2,0,0]=4 2571 B7R0.8 CNCCC(C)(C)O 34a_100102657272_100000702414 [0,1,1,0,0,0|2,0,0]=4 2572 B7R0.8 CNCCC(C)(C)O 7a_106832991635_100000702414 [0,1,1,0,0,0|2,0,0]=4 2573 B7R0.8 COCCC(C)(C)C 34a_100138415774_100000755188 [0,1,1,0,0,0|2,0,0]=4 2574 B7R0.8 COCCC(C)(C)C 7a_100000765024_200000210301 [0,1,1,0,0,0|2,0,0]=4 2575 B7R0.8 COCCC(C)(C)O 34a_100138415774_100000702414 [0,1,1,0,0,0|2,0,0]=4 2576 B7R0.8 COCNC(C)(C)C 2230a_100000715429_100000766300 [0,1,1,0,0,0|1,0,0]=3 2577 B7R0.8 COCSC(C)(C)C 62a_100000211941_100000766300 [0,1,1,0,0,0|2,0,0]=4 2578 B7R0.8 COCSC(C)(C)C 62a_100000766300_100000211941 [0,1,1,0,0,0|2,0,0]=4 2579 B7R0.8 CSCCC(C)(C)C 62a_100000755188_200000210301 [0,1,1,0,0,0|2,0,0]=4 2580 B7R0.8 CSCCC(C)(C)C 62a_200000210301_100000755188 [0,1,1,0,0,0|2,0,0]=4 2581 B7R0.8 CSCCC(C)(C)O 62a_100000702414_200000210301 [0,1,1,0,0,0|2,0,0]=4 2582 B7R0.8 CSCCC(C)(C)O 62a_200000210301_100000702414 [0,1,1,0,0,0|2,0,0]=4 2583 B7R0.8 CSCNC(C)(C)C 2230a_100000715429_100011218213 [0,1,1,0,0,0|1,0,0]=3 2584 B7R0.8 CSCOC(C)(C)C 34a_100015890283_100011218213 [0,1,1,0,0,0|2,0,0]=4 2585 B7R0.8 CSCSC(C)(C)C 62a_100000211941_100011218213 [0,1,1,0,0,0|2,0,0]=4 2586 B7R0.8 CSCSC(C)(C)C 62a_100011218213_100000211941 [0,1,1,0,0,0|2,0,0]=4 2587 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [0,1,1,0,0,0|0,0,2]=4 2588 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [0,1,1,0,0,0|0,0,2]=4 2589 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [0,1,1,0,0,0|0,0,2]=4 2590 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [0,1,1,0,0,0|0,0,2]=4 2591 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [0,1,1,0,0,0|0,0,2]=4 2592 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [0,1,1,0,0,0|0,0,2]=4 2593 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [0,1,1,0,0,0|0,0,2]=4 2594 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [0,1,1,0,0,0|1,0,1]=4 2595 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [0,1,1,0,0,0|1,0,1]=4 2596 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [0,1,1,0,0,0|1,0,1]=4 2597 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [0,1,1,0,0,0|1,0,1]=4 2598 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [0,1,1,0,0,0|1,0,1]=4 2599 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [0,1,1,0,0,0|1,0,1]=4 2600 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [0,1,1,0,0,0|1,0,1]=4 2601 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [0,1,1,0,0,0|1,0,1]=4 2602 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [0,1,1,0,0,0|1,0,1]=4 2603 B7R0.1 C#CCCCNCC 2230a_100015525214_100000731252 [0,1,1,0,0,0|0,0,1]=3 2604 B7R0.1 C#CCCCNCC 34a_100000718082_100000210202 [0,1,1,0,0,0|0,0,1]=3 2605 B7R0.1 C#CCCCNCF 34a_100000718082_100015361967 [0,1,1,0,0,0|1,0,1]=4 2606 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [0,1,1,0,0,0|1,0,1]=4 2607 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [0,1,1,0,0,0|1,0,1]=4 2608 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [0,1,1,0,0,0|1,0,1]=4 2609 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [0,1,1,0,0,0|1,0,1]=4 2610 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [0,1,1,0,0,0|1,0,1]=4 2611 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [0,1,1,0,0,0|0,0,2]=4 2612 B7R0.1 C#CCCNCCF 34a_100000724931_100000688953 [0,1,1,0,0,0|0,0,2]=4 2613 B7R0.1 C#CCCNCCF 34a_100000755551_100011217306 [0,1,1,0,0,0|0,0,2]=4 2614 B7R0.1 C#CCCNCCO 2230a_100016997473_100000688953 [0,1,1,0,0,0|0,0,2]=4 2615 B7R0.1 C#CCCNCCO 34a_100000755551_100000211926 [0,1,1,0,0,0|0,0,2]=4 2616 B7R0.1 C#CCCNCCO 34a_100016990907_100000688953 [0,1,1,0,0,0|0,0,2]=4 2617 B7R0.1 C#CCCNCSC 34a_100000755551_100011218213 [0,1,1,0,0,0|0,0,2]=4 2618 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [0,1,1,0,0,0|1,0,1]=4 2619 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [0,1,1,0,0,0|1,0,1]=4 2620 B7R0.1 C#CCCOCCN 34a_100000210304_100000688953 [0,1,1,0,0,0|0,0,2]=4 2621 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [0,1,1,0,0,0|1,0,1]=4 2622 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [0,1,1,0,0,0|1,0,1]=4 2623 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [0,1,1,0,0,0|0,0,1]=3 2624 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [0,1,1,0,0,0|0,0,1]=3 2625 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [0,1,1,0,0,0|0,0,1]=3 2626 B7R0.1 C#CCNCCCF 2230a_100015189416_100000038162 [0,1,1,0,0,0|1,0,1]=4 2627 B7R0.1 C#CCNCCCF 34a_100000212058_100011934791 [0,1,1,0,0,0|1,0,1]=4 2628 B7R0.1 C#CCNCCCF 34a_100015189416_100000184674 [0,1,1,0,0,0|1,0,1]=4 2629 B7R0.1 C#CCNCCCO 34a_100000212058_100000230001 [0,1,1,0,0,0|1,0,1]=4 2630 B7R0.1 C#CCNCCOC 2230a_100000209980_100000038162 [0,1,1,0,0,0|1,0,1]=4 2631 B7R0.1 C#CCNCCOC 34a_100000212058_100011201679 [0,1,1,0,0,0|1,0,1]=4 2632 B7R0.1 C#CCNCCSC 2230a_100020590264_100000038162 [0,1,1,0,0,0|1,0,1]=4 2633 B7R0.1 C#CCNCCSC 34a_100000212058_100000212216 [0,1,1,0,0,0|1,0,1]=4 2634 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [0,1,1,0,0,0|1,0,1]=4 2635 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [0,1,1,0,0,0|1,0,1]=4 2636 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [0,1,1,0,0,0|1,0,1]=4 2637 B7R0.1 C#CCOCCCN 34a_100000182051_100000184674 [0,1,1,0,0,0|0,0,2]=4 2638 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [0,1,1,0,0,0|1,0,1]=4 2639 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [0,1,1,0,0,0|1,0,1]=4 2640 B7R0.1 C/C=C/CNCCF 34a_100000724931_100102629194 [0,1,1,0,0,0|0,0,2]=4 2641 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [0,1,1,0,0,0|0,0,2]=4 2642 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [0,1,1,0,0,0|1,0,1]=4 2643 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [0,1,1,0,0,0|1,0,1]=4 2644 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [0,1,1,0,0,0|0,0,2]=4 2645 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [0,1,1,0,0,0|1,0,1]=4 2646 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [0,1,1,0,0,0|1,0,1]=4 2647 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [0,1,1,0,0,0|0,0,2]=4 2648 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [0,1,1,0,0,0|0,0,2]=4 2649 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [0,1,1,0,0,0|0,0,2]=4 2650 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [0,1,1,0,0,0|0,0,2]=4 2651 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [0,1,1,0,0,0|0,0,2]=4 2652 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [0,1,1,0,0,0|0,0,2]=4 2653 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [0,1,1,0,0,0|0,0,2]=4 2654 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [0,1,1,0,0,0|1,0,1]=4 2655 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [0,1,1,0,0,0|1,0,1]=4 2656 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [0,1,1,0,0,0|1,0,1]=4 2657 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [0,1,1,0,0,0|1,0,1]=4 2658 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [0,1,1,0,0,0|1,0,1]=4 2659 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [0,1,1,0,0,0|1,0,1]=4 2660 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [0,1,1,0,0,0|1,0,1]=4 2661 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [0,1,1,0,0,0|1,0,1]=4 2662 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [0,1,1,0,0,0|1,0,1]=4 2663 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [0,1,1,0,0,0|0,0,1]=3 2664 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [0,1,1,0,0,0|0,0,1]=3 2665 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [0,1,1,0,0,0|0,0,1]=3 2666 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [0,1,1,0,0,0|1,0,1]=4 2667 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [0,1,1,0,0,0|1,0,1]=4 2668 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [0,1,1,0,0,0|1,0,1]=4 2669 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [0,1,1,0,0,0|1,0,1]=4 2670 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [0,1,1,0,0,0|1,0,1]=4 2671 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [0,1,1,0,0,0|1,0,1]=4 2672 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [0,1,1,0,0,0|0,0,2]=4 2673 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [0,1,1,0,0,0|0,0,2]=4 2674 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [0,1,1,0,0,0|0,0,2]=4 2675 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [0,1,1,0,0,0|0,0,2]=4 2676 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [0,1,1,0,0,0|0,0,2]=4 2677 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [0,1,1,0,0,0|0,0,2]=4 2678 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [0,1,1,0,0,0|0,0,2]=4 2679 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [0,1,1,0,0,0|0,0,2]=4 2680 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,1,1,0,0,0|1,0,1]=4 2681 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,1,1,0,0,0|1,0,1]=4 2682 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [0,1,1,0,0,0|0,0,2]=4 2683 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,1,1,0,0,0|1,0,1]=4 2684 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,1,1,0,0,0|1,0,1]=4 2685 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [0,1,1,0,0,0|0,0,1]=3 2686 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [0,1,1,0,0,0|0,0,1]=3 2687 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [0,1,1,0,0,0|0,0,1]=3 2688 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [0,1,1,0,0,0|1,0,1]=4 2689 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [0,1,1,0,0,0|1,0,1]=4 2690 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [0,1,1,0,0,0|1,0,1]=4 2691 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [0,1,1,0,0,0|1,0,1]=4 2692 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [0,1,1,0,0,0|1,0,1]=4 2693 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [0,1,1,0,0,0|1,0,1]=4 2694 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [0,1,1,0,0,0|1,0,1]=4 2695 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [0,1,1,0,0,0|1,0,1]=4 2696 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [0,1,1,0,0,0|1,0,1]=4 2697 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [0,1,1,0,0,0|1,0,1]=4 2698 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [0,1,1,0,0,0|1,0,1]=4 2699 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [0,1,1,0,0,0|0,0,2]=4 2700 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [0,1,1,0,0,0|1,0,1]=4 2701 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [0,1,1,0,0,0|1,0,1]=4 2702 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [0,1,1,0,0,0|0,0,2]=4 2703 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [0,1,1,0,0,0|1,0,1]=4 2704 B7R0.1 CC#CCNCCC 2230a_100000685387_100000210303 [0,1,1,0,0,0|0,0,2]=4 2705 B7R0.1 CC#CCNCCC 34a_100000685387_100000210303 [0,1,1,0,0,0|0,0,2]=4 2706 B7R0.1 CC#CCNCCF 2230a_100000685387_100011217306 [0,1,1,0,0,0|0,0,2]=4 2707 B7R0.1 CC#CCNCCF 34a_100000685387_100011217306 [0,1,1,0,0,0|0,0,2]=4 2708 B7R0.1 CC#CCNCCF 34a_100000724931_100000748600 [0,1,1,0,0,0|0,0,2]=4 2709 B7R0.1 CC#CCNCCO 2230a_100000685387_100000211926 [0,1,1,0,0,0|0,0,2]=4 2710 B7R0.1 CC#CCNCCO 2230a_100016997473_100000748600 [0,1,1,0,0,0|0,0,2]=4 2711 B7R0.1 CC#CCNCCO 34a_100000685387_100000211926 [0,1,1,0,0,0|0,0,2]=4 2712 B7R0.1 CC#CCNCCO 34a_100016990907_100000748600 [0,1,1,0,0,0|0,0,2]=4 2713 B7R0.1 CC#CCNCOC 2230a_100000685387_100000766300 [0,1,1,0,0,0|0,0,2]=4 2714 B7R0.1 CC#CCNCSC 2230a_100000685387_100011218213 [0,1,1,0,0,0|0,0,2]=4 2715 B7R0.1 CC#CCNCSC 34a_100000685387_100011218213 [0,1,1,0,0,0|0,0,2]=4 2716 B7R0.1 CC#CCOCCC 34a_100000210258_100000748600 [0,1,1,0,0,0|1,0,1]=4 2717 B7R0.1 CC#CCOCCC 34a_100000761923_100000210303 [0,1,1,0,0,0|1,0,1]=4 2718 B7R0.1 CC#CCOCCN 34a_100000210304_100000748600 [0,1,1,0,0,0|0,0,2]=4 2719 B7R0.1 CC#CCSCCC 62a_100000210303_100000748600 [0,1,1,0,0,0|1,0,1]=4 2720 B7R0.1 CC#CCSCCC 62a_100000748600_100000210303 [0,1,1,0,0,0|1,0,1]=4 2721 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [0,1,1,0,0,0|0,0,2]=4 2722 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [0,1,1,0,0,0|0,0,2]=4 2723 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [0,1,1,0,0,0|0,0,2]=4 2724 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [0,1,1,0,0,0|1,0,1]=4 2725 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [0,1,1,0,0,0|1,0,1]=4 2726 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [0,1,1,0,0,0|1,0,1]=4 2727 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [0,1,1,0,0,0|1,0,1]=4 2728 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [0,1,1,0,0,0|1,0,1]=4 2729 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [0,1,1,0,0,0|1,0,1]=4 2730 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [0,1,1,0,0,0|1,0,1]=4 2731 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [0,1,1,0,0,0|1,0,1]=4 2732 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [0,1,1,0,0,0|1,0,1]=4 2733 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [0,1,1,0,0,0|0,0,1]=3 2734 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [0,1,1,0,0,0|1,0,1]=4 2735 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [0,1,1,0,0,0|1,0,1]=4 2736 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [0,1,1,0,0,0|1,0,1]=4 2737 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [0,1,1,0,0,0|1,0,1]=4 2738 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [0,1,1,0,0,0|1,0,1]=4 2739 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [0,1,1,0,0,0|1,0,1]=4 2740 B7R0.1 CC=CCNCCF 34a_100000724931_100000070051 [0,1,1,0,0,0|0,0,2]=4 2741 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [0,1,1,0,0,0|0,0,2]=4 2742 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [0,1,1,0,0,0|0,0,2]=4 2743 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [0,1,1,0,0,0|1,0,1]=4 2744 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [0,1,1,0,0,0|0,0,2]=4 2745 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [0,1,1,0,0,0|1,0,1]=4 2746 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [0,1,1,0,0,0|1,0,1]=4 2747 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [0,1,1,0,0,0|0,0,1]=3 2748 B7R0.1 CCC#CCCOC 34a_100000036655_200000210301 [0,1,1,0,0,0|1,0,1]=4 2749 B7R0.1 CCC#CCCOC 7a_100000036655_200000210301 [0,1,1,0,0,0|1,0,1]=4 2750 B7R0.1 CCC#CCCO[13CH3] 34a_100000036655_200025704644 [0,1,1,0,0,0|1,0,1]=4 2751 B7R0.1 CCC#CCCO[13CH3] 7a_100000036655_200025704644 [0,1,1,0,0,0|1,0,1]=4 2752 B7R0.1 CCC#CCNCC 2230a_100015525214_100009813939 [0,1,1,0,0,0|0,0,1]=3 2753 B7R0.1 CCC#CCOCC 34a_100000032950_100000210202 [0,1,1,0,0,0|1,0,1]=4 2754 B7R0.1 CCC#CCOCC 34a_100121572206_100009813939 [0,1,1,0,0,0|1,0,1]=4 2755 B7R0.1 CCC#CCSCC 62a_100000210202_100009813939 [0,1,1,0,0,0|1,0,1]=4 2756 B7R0.1 CCC#CCSCC 62a_100009813939_100000210202 [0,1,1,0,0,0|1,0,1]=4 2757 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [0,1,1,0,0,0|1,0,1]=4 2758 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [0,1,1,0,0,0|1,0,1]=4 2759 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [0,1,1,0,0,0|1,0,1]=4 2760 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [0,1,1,0,0,0|1,0,1]=4 2761 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [0,1,1,0,0,0|1,0,1]=4 2762 B7R0.1 CCC=NNCCO 4a_100000210001_100000210100 [0,1,1,0,0,0|1,0,1]=4 2763 B7R0.1 CCCC#CCOC 34a_100000034806_200000210301 [0,1,1,0,0,0|1,0,1]=4 2764 B7R0.1 CCCC#CCOC 7a_100000034806_200000210301 [0,1,1,0,0,0|1,0,1]=4 2765 B7R0.1 CCCC#CCO[13CH3] 34a_100000034806_200025704644 [0,1,1,0,0,0|1,0,1]=4 2766 B7R0.1 CCCC#CCO[13CH3] 7a_100000034806_200025704644 [0,1,1,0,0,0|1,0,1]=4 2767 B7R0.1 CCCC=NNCC 4a_100000756455_100000185831 [0,1,1,0,0,0|0,0,1]=3 2768 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [0,1,1,0,0,0|0,0,0]=2 2769 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [0,1,1,0,0,0|0,0,0]=2 2770 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [0,1,1,0,0,0|0,0,0]=2 2771 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [0,1,1,0,0,0|0,0,0]=2 2772 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [0,1,1,0,0,0|0,0,0]=2 2773 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [0,1,1,0,0,0|1,0,0]=3 2774 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [0,1,1,0,0,0|1,0,0]=3 2775 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [0,1,1,0,0,0|1,0,0]=3 2776 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [0,1,1,0,0,0|1,0,0]=3 2777 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [0,1,1,0,0,0|1,0,0]=3 2778 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [0,1,1,0,0,0|1,0,0]=3 2779 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [0,1,1,0,0,0|1,0,0]=3 2780 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [0,1,1,0,0,0|1,0,0]=3 2781 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [0,1,1,0,0,0|1,0,0]=3 2782 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [0,1,1,0,0,0|0,0,0]=2 2783 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [0,1,1,0,0,0|0,0,0]=2 2784 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [0,1,1,0,0,0|1,0,0]=3 2785 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [0,1,1,0,0,0|1,0,0]=3 2786 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [0,1,1,0,0,0|1,0,0]=3 2787 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [0,1,1,0,0,0|1,0,0]=3 2788 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [0,1,1,0,0,0|1,0,0]=3 2789 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [0,1,1,0,0,0|1,0,0]=3 2790 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [0,1,1,0,0,0|1,0,0]=3 2791 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [0,1,1,0,0,0|1,0,0]=3 2792 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [0,1,1,0,0,0|1,0,0]=3 2793 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [0,1,1,0,0,0|0,0,1]=3 2794 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [0,1,1,0,0,0|0,0,1]=3 2795 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [0,1,1,0,0,0|0,0,1]=3 2796 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [0,1,1,0,0,0|0,0,1]=3 2797 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [0,1,1,0,0,0|0,0,0]=2 2798 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [0,1,1,0,0,0|0,0,0]=2 2799 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [0,1,1,0,0,0|0,0,0]=2 2800 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [0,1,1,0,0,0|0,0,0]=2 2801 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [0,1,1,0,0,0|0,0,0]=2 2802 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [0,1,1,0,0,0|0,0,0]=2 2803 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [0,1,1,0,0,0|0,0,0]=2 2804 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [0,1,1,0,0,0|0,0,0]=2 2805 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [0,1,1,0,0,0|0,0,0]=2 2806 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [0,1,1,0,0,0|0,0,0]=2 2807 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [0,1,1,0,0,0|0,0,0]=2 2808 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [0,1,1,0,0,0|0,0,2]=4 2809 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [0,1,1,0,0,0|1,0,1]=4 2810 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [0,1,1,0,0,0|1,0,1]=4 2811 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [0,1,1,0,0,0|1,0,0]=3 2812 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [0,1,1,0,0,0|1,0,0]=3 2813 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [0,1,1,0,0,0|1,0,0]=3 2814 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [0,1,1,0,0,0|1,0,0]=3 2815 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [0,1,1,0,0,0|1,0,0]=3 2816 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [0,1,1,0,0,0|1,0,0]=3 2817 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [0,1,1,0,0,0|0,0,0]=2 2818 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [0,1,1,0,0,0|1,0,0]=3 2819 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [0,1,1,0,0,0|1,0,0]=3 2820 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [0,1,1,0,0,0|1,0,0]=3 2821 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [0,1,1,0,0,0|1,0,0]=3 2822 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [0,1,1,0,0,0|1,0,0]=3 2823 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [0,1,1,0,0,0|1,0,0]=3 2824 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [0,1,1,0,0,0|1,0,0]=3 2825 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [0,1,1,0,0,0|1,0,0]=3 2826 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [0,1,1,0,0,0|1,0,0]=3 2827 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [0,1,1,0,0,0|1,0,0]=3 2828 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [0,1,1,0,0,0|0,0,2]=4 2829 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [0,1,1,0,0,0|0,0,2]=4 2830 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [0,1,1,0,0,0|1,0,1]=4 2831 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [0,1,1,0,0,0|1,0,1]=4 2832 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [0,1,1,0,0,0|1,0,0]=3 2833 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [0,1,1,0,0,0|1,0,0]=3 2834 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [0,1,1,0,0,0|1,0,0]=3 2835 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [0,1,1,0,0,0|1,0,0]=3 2836 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [0,1,1,0,0,0|1,0,0]=3 2837 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [0,1,1,0,0,0|1,0,0]=3 2838 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [0,1,1,0,0,0|1,0,0]=3 2839 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [0,1,1,0,0,0|1,0,0]=3 2840 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [0,1,1,0,0,0|1,0,0]=3 2841 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [0,1,1,0,0,0|1,0,0]=3 2842 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [0,1,1,0,0,0|1,0,0]=3 2843 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [0,1,1,0,0,0|1,0,0]=3 2844 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [0,1,1,0,0,0|1,0,0]=3 2845 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [0,1,1,0,0,0|1,0,0]=3 2846 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [0,1,1,0,0,0|1,0,0]=3 2847 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [0,1,1,0,0,0|1,0,0]=3 2848 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [0,1,1,0,0,0|1,0,0]=3 2849 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [0,1,1,0,0,0|1,0,0]=3 2850 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [0,1,1,0,0,0|0,0,0]=2 2851 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [0,1,1,0,0,0|1,0,0]=3 2852 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [0,1,1,0,0,0|1,0,0]=3 2853 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [0,1,1,0,0,0|1,0,0]=3 2854 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [0,1,1,0,0,0|1,0,0]=3 2855 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [0,1,1,0,0,0|1,0,0]=3 2856 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [0,1,1,0,0,0|1,0,0]=3 2857 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [0,1,1,0,0,0|1,0,0]=3 2858 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [0,1,1,0,0,0|1,0,0]=3 2859 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [0,1,1,0,0,0|2,0,0]=4 2860 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [0,1,1,0,0,0|2,0,0]=4 2861 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [0,1,1,0,0,0|2,0,0]=4 2862 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [0,1,1,0,0,0|2,0,0]=4 2863 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [0,1,1,0,0,0|2,0,0]=4 2864 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [0,1,1,0,0,0|1,0,0]=3 2865 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [0,1,1,0,0,0|2,0,0]=4 2866 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [0,1,1,0,0,0|2,0,0]=4 2867 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [0,1,1,0,0,0|2,0,0]=4 2868 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [0,1,1,0,0,0|2,0,0]=4 2869 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [0,1,1,0,0,0|2,0,0]=4 2870 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [0,1,1,0,0,0|2,0,0]=4 2871 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [0,1,1,0,0,0|2,0,0]=4 2872 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [0,1,1,0,0,0|2,0,0]=4 2873 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [0,1,1,0,0,0|2,0,0]=4 2874 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [0,1,1,0,0,0|0,0,2]=4 2875 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [0,1,1,0,0,0|0,0,2]=4 2876 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [0,1,1,0,0,0|1,0,0]=3 2877 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [0,1,1,0,0,0|1,0,0]=3 2878 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [0,1,1,0,0,0|1,0,0]=3 2879 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [0,1,1,0,0,0|1,0,0]=3 2880 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [0,1,1,0,0,0|1,0,0]=3 2881 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [0,1,1,0,0,0|1,0,0]=3 2882 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [0,1,1,0,0,0|2,0,0]=4 2883 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [0,1,1,0,0,0|2,0,0]=4 2884 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [0,1,1,0,0,0|2,0,0]=4 2885 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [0,1,1,0,0,0|2,0,0]=4 2886 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [0,1,1,0,0,0|2,0,0]=4 2887 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [0,1,1,0,0,0|2,0,0]=4 2888 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [0,1,1,0,0,0|2,0,0]=4 2889 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [0,1,1,0,0,0|2,0,0]=4 2890 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [0,1,1,0,0,0|1,0,0]=3 2891 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [0,1,1,0,0,0|1,0,0]=3 2892 B7R0.1 CCNCC#CCO 2230a_100015525214_200000047223 [0,1,1,0,0,0|0,0,2]=4 2893 B7R0.1 CCNCCCC#N 2230a_100015525214_100000687738 [0,1,1,0,0,0|0,0,1]=3 2894 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [0,1,1,0,0,0|0,0,1]=3 2895 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [0,1,1,0,0,0|0,0,0]=2 2896 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [0,1,1,0,0,0|0,0,0]=2 2897 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [0,1,1,0,0,0|0,0,0]=2 2898 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [0,1,1,0,0,0|0,0,0]=2 2899 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [0,1,1,0,0,0|0,0,0]=2 2900 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [0,1,1,0,0,0|0,0,0]=2 2901 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [0,1,1,0,0,0|0,0,0]=2 2902 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [0,1,1,0,0,0|0,0,0]=2 2903 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [0,1,1,0,0,0|0,0,0]=2 2904 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [0,1,1,0,0,0|0,0,0]=2 2905 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [0,1,1,0,0,0|0,0,0]=2 2906 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [0,1,1,0,0,0|0,0,0]=2 2907 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [0,1,1,0,0,0|1,0,0]=3 2908 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [0,1,1,0,0,0|1,0,0]=3 2909 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [0,1,1,0,0,0|1,0,0]=3 2910 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [0,1,1,0,0,0|1,0,0]=3 2911 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [0,1,1,0,0,0|1,0,0]=3 2912 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [0,1,1,0,0,0|1,0,0]=3 2913 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [0,1,1,0,0,0|1,0,0]=3 2914 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [0,1,1,0,0,0|0,0,0]=2 2915 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [0,1,1,0,0,0|1,0,0]=3 2916 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [0,1,1,0,0,0|1,0,0]=3 2917 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [0,1,1,0,0,0|1,0,0]=3 2918 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [0,1,1,0,0,0|1,0,0]=3 2919 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [0,1,1,0,0,0|1,0,0]=3 2920 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [0,1,1,0,0,0|1,0,0]=3 2921 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [0,1,1,0,0,0|1,0,0]=3 2922 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [0,1,1,0,0,0|1,0,0]=3 2923 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [0,1,1,0,0,0|1,0,0]=3 2924 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [0,1,1,0,0,0|1,0,0]=3 2925 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [0,1,1,0,0,0|1,0,0]=3 2926 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [0,1,1,0,0,0|1,0,0]=3 2927 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [0,1,1,0,0,0|1,0,0]=3 2928 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [0,1,1,0,0,0|1,0,0]=3 2929 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [0,1,1,0,0,0|1,0,0]=3 2930 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [0,1,1,0,0,0|1,0,0]=3 2931 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [0,1,1,0,0,0|1,0,0]=3 2932 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [0,1,1,0,0,0|1,0,0]=3 2933 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [0,1,1,0,0,0|1,0,0]=3 2934 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [0,1,1,0,0,0|1,0,0]=3 2935 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [0,1,1,0,0,0|1,0,0]=3 2936 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [0,1,1,0,0,0|1,0,0]=3 2937 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [0,1,1,0,0,0|1,0,0]=3 2938 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [0,1,1,0,0,0|1,0,0]=3 2939 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [0,1,1,0,0,0|1,0,0]=3 2940 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [0,1,1,0,0,0|1,0,0]=3 2941 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [0,1,1,0,0,0|2,0,0]=4 2942 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [0,1,1,0,0,0|2,0,0]=4 2943 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [0,1,1,0,0,0|1,0,0]=3 2944 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [0,1,1,0,0,0|1,0,0]=3 2945 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [0,1,1,0,0,0|1,0,0]=3 2946 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [0,1,1,0,0,0|1,0,0]=3 2947 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [0,1,1,0,0,0|1,0,0]=3 2948 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [0,1,1,0,0,0|2,0,0]=4 2949 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [0,1,1,0,0,0|2,0,0]=4 2950 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [0,1,1,0,0,0|2,0,0]=4 2951 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [0,1,1,0,0,0|2,0,0]=4 2952 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [0,1,1,0,0,0|2,0,0]=4 2953 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [0,1,1,0,0,0|2,0,0]=4 2954 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [0,1,1,0,0,0|2,0,0]=4 2955 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [0,1,1,0,0,0|2,0,0]=4 2956 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [0,1,1,0,0,0|2,0,0]=4 2957 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [0,1,1,0,0,0|2,0,0]=4 2958 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [0,1,1,0,0,0|0,0,2]=4 2959 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [0,1,1,0,0,0|0,0,2]=4 2960 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [0,1,1,0,0,0|1,0,1]=4 2961 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [0,1,1,0,0,0|1,0,1]=4 2962 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [0,1,1,0,0,0|1,0,0]=3 2963 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [0,1,1,0,0,0|1,0,0]=3 2964 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [0,1,1,0,0,0|1,0,0]=3 2965 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [0,1,1,0,0,0|1,0,0]=3 2966 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [0,1,1,0,0,0|1,0,0]=3 2967 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [0,1,1,0,0,0|1,0,0]=3 2968 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [0,1,1,0,0,0|1,0,0]=3 2969 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [0,1,1,0,0,0|1,0,0]=3 2970 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [0,1,1,0,0,0|1,0,0]=3 2971 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [0,1,1,0,0,0|1,0,0]=3 2972 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [0,1,1,0,0,0|2,0,0]=4 2973 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [0,1,1,0,0,0|2,0,0]=4 2974 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [0,1,1,0,0,0|1,0,0]=3 2975 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [0,1,1,0,0,0|1,0,0]=3 2976 B7R0.1 CCSCCSCF 62a_100000757381_100015361967 [0,1,1,0,0,0|2,0,0]=4 2977 B7R0.1 CCSCCSCF 62a_100015361967_100000757381 [0,1,1,0,0,0|2,0,0]=4 2978 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [0,1,1,0,0,0|0,0,2]=4 2979 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [0,1,1,0,0,0|0,0,2]=4 2980 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [0,1,1,0,0,0|1,0,1]=4 2981 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [0,1,1,0,0,0|1,0,1]=4 2982 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [0,1,1,0,0,0|1,0,0]=3 2983 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [0,1,1,0,0,0|1,0,0]=3 2984 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [0,1,1,0,0,0|1,0,0]=3 2985 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [0,1,1,0,0,0|1,0,0]=3 2986 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [0,1,1,0,0,0|1,0,0]=3 2987 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [0,1,1,0,0,0|1,0,0]=3 2988 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [0,1,1,0,0,0|1,0,0]=3 2989 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [0,1,1,0,0,0|1,0,0]=3 2990 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [0,1,1,0,0,0|1,0,0]=3 2991 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [0,1,1,0,0,0|1,0,0]=3 2992 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [0,1,1,0,0,0|1,0,0]=3 2993 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [0,1,1,0,0,0|2,0,0]=4 2994 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [0,1,1,0,0,0|2,0,0]=4 2995 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [0,1,1,0,0,0|2,0,0]=4 2996 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [0,1,1,0,0,0|2,0,0]=4 2997 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [0,1,1,0,0,0|2,0,0]=4 2998 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [0,1,1,0,0,0|2,0,0]=4 2999 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [0,1,1,0,0,0|2,0,0]=4 3000 B7R0.1 CNCOCCOC 2230a_106832991635_100000231047 [0,1,1,0,0,0|2,0,0]=4 3001 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [0,1,1,0,0,0|1,0,0]=3 3002 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [0,1,1,0,0,0|1,0,0]=3 3003 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [0,1,1,0,0,0|1,0,0]=3 3004 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [0,1,1,0,0,0|1,0,0]=3 3005 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [0,1,1,0,0,0|1,0,0]=3 3006 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [0,1,1,0,0,0|1,0,0]=3 3007 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [0,1,1,0,0,0|1,0,0]=3 3008 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [0,1,1,0,0,0|0,0,0]=2 3009 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [0,1,1,0,0,0|1,0,0]=3 3010 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [0,1,1,0,0,0|2,0,0]=4 3011 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [0,1,1,0,0,0|2,0,0]=4 3012 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [0,1,1,0,0,0|2,0,0]=4 3013 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [0,1,1,0,0,0|2,0,0]=4 3014 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [0,1,1,0,0,0|2,0,0]=4 3015 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [0,1,1,0,0,0|2,0,0]=4 3016 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [0,1,1,0,0,0|2,0,0]=4 3017 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [0,1,1,0,0,0|2,0,0]=4 3018 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [0,1,1,0,0,0|2,0,0]=4 3019 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [0,1,1,0,0,0|1,0,0]=3 3020 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [0,1,1,0,0,0|2,0,0]=4 3021 B7R0.1 COCCCSCF 62a_100000709357_100015361967 [0,1,1,0,0,0|2,0,0]=4 3022 B7R0.1 COCCCSCF 62a_100015361967_100000709357 [0,1,1,0,0,0|2,0,0]=4 3023 B7R0.1 COCCNCC#N 2230a_100000209980_100011215382 [0,1,1,0,0,0|1,0,1]=4 3024 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [0,1,1,0,0,0|1,0,1]=4 3025 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [0,1,1,0,0,0|1,0,0]=3 3026 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [0,1,1,0,0,0|1,0,0]=3 3027 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [0,1,1,0,0,0|1,0,0]=3 3028 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [0,1,1,0,0,0|1,0,0]=3 3029 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [0,1,1,0,0,0|1,0,0]=3 3030 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [0,1,1,0,0,0|1,0,0]=3 3031 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [0,1,1,0,0,0|1,0,0]=3 3032 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [0,1,1,0,0,0|2,0,0]=4 3033 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [0,1,1,0,0,0|2,0,0]=4 3034 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [0,1,1,0,0,0|2,0,0]=4 3035 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [0,1,1,0,0,0|2,0,0]=4 3036 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [0,1,1,0,0,0|2,0,0]=4 3037 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [0,1,1,0,0,0|2,0,0]=4 3038 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [0,1,1,0,0,0|2,0,0]=4 3039 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [0,1,1,0,0,0|2,0,0]=4 3040 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [0,1,1,0,0,0|2,0,0]=4 3041 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [0,1,1,0,0,0|2,0,0]=4 3042 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [0,1,1,0,0,0|1,0,0]=3 3043 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [0,1,1,0,0,0|1,0,0]=3 3044 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [0,1,1,0,0,0|2,0,0]=4 3045 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [0,1,1,0,0,0|2,0,0]=4 3046 B7R0.1 COCCOCSC 34a_100000210237_100011218213 [0,1,1,0,0,0|2,0,0]=4 3047 B7R0.1 COCCOCSC 62a_100000231047_200000210301 [0,1,1,0,0,0|2,0,0]=4 3048 B7R0.1 COCCOCSC 62a_200000210301_100000231047 [0,1,1,0,0,0|2,0,0]=4 3049 B7R0.1 COCCOCS[13CH3] 62a_100000231047_200025704644 [0,1,1,0,0,0|2,0,0]=4 3050 B7R0.1 COCCOCS[13CH3] 62a_200025704644_100000231047 [0,1,1,0,0,0|2,0,0]=4 3051 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [0,1,1,0,0,0|2,0,0]=4 3052 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [0,1,1,0,0,0|2,0,0]=4 3053 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [0,1,1,0,0,0|2,0,0]=4 3054 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [0,1,1,0,0,0|2,0,0]=4 3055 B7R0.1 COCCSCOC 62a_100000233755_100000766300 [0,1,1,0,0,0|2,0,0]=4 3056 B7R0.1 COCCSCOC 62a_100000766300_100000233755 [0,1,1,0,0,0|2,0,0]=4 3057 B7R0.1 COCCSCSC 62a_100000233755_100011218213 [0,1,1,0,0,0|2,0,0]=4 3058 B7R0.1 COCCSCSC 62a_100011218213_100000233755 [0,1,1,0,0,0|2,0,0]=4 3059 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [0,1,1,0,0,0|1,0,0]=3 3060 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [0,1,1,0,0,0|1,0,0]=3 3061 B7R0.1 COCSCCCF 62a_100000766300_100011934791 [0,1,1,0,0,0|2,0,0]=4 3062 B7R0.1 COCSCCCF 62a_100011934791_100000766300 [0,1,1,0,0,0|2,0,0]=4 3063 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [0,1,1,0,0,0|2,0,0]=4 3064 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [0,1,1,0,0,0|2,0,0]=4 3065 B7R0.1 COCSCCSC 62a_100000212216_100000766300 [0,1,1,0,0,0|2,0,0]=4 3066 B7R0.1 COCSCCSC 62a_100000766300_100000751147 [0,1,1,0,0,0|2,0,0]=4 3067 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [0,1,1,0,0,0|0,0,2]=4 3068 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [0,1,1,0,0,0|0,0,2]=4 3069 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [0,1,1,0,0,0|1,0,1]=4 3070 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [0,1,1,0,0,0|1,0,1]=4 3071 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [0,1,1,0,0,0|1,0,0]=3 3072 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [0,1,1,0,0,0|1,0,0]=3 3073 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [0,1,1,0,0,0|1,0,0]=3 3074 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [0,1,1,0,0,0|1,0,0]=3 3075 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [0,1,1,0,0,0|2,0,0]=4 3076 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [0,1,1,0,0,0|2,0,0]=4 3077 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [0,1,1,0,0,0|2,0,0]=4 3078 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [0,1,1,0,0,0|2,0,0]=4 3079 B7R0.1 CSCCNCC#N 2230a_100020590264_100011215382 [0,1,1,0,0,0|1,0,1]=4 3080 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [0,1,1,0,0,0|1,0,1]=4 3081 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [0,1,1,0,0,0|1,0,0]=3 3082 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [0,1,1,0,0,0|1,0,0]=3 3083 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [0,1,1,0,0,0|1,0,0]=3 3084 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [0,1,1,0,0,0|1,0,0]=3 3085 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [0,1,1,0,0,0|1,0,0]=3 3086 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [0,1,1,0,0,0|1,0,0]=3 3087 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [0,1,1,0,0,0|2,0,0]=4 3088 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [0,1,1,0,0,0|2,0,0]=4 3089 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [0,1,1,0,0,0|2,0,0]=4 3090 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [0,1,1,0,0,0|1,0,0]=3 3091 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [0,1,1,0,0,0|2,0,0]=4 3092 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [0,1,1,0,0,0|2,0,0]=4 3093 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [0,1,1,0,0,0|2,0,0]=4 3094 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [0,1,1,0,0,0|2,0,0]=4 3095 B7R0.1 CSCCOCSC 34a_100000230434_100011218213 [0,1,1,0,0,0|2,0,0]=4 3096 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [0,1,1,0,0,0|2,0,0]=4 3097 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [0,1,1,0,0,0|2,0,0]=4 3098 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [0,1,1,0,0,0|2,0,0]=4 3099 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [0,1,1,0,0,0|2,0,0]=4 3100 B7R0.1 CSCCSCSC 62a_100000212216_100011218213 [0,1,1,0,0,0|2,0,0]=4 3101 B7R0.1 CSCCSCSC 62a_100011218213_100000751147 [0,1,1,0,0,0|2,0,0]=4 3102 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [0,1,1,0,0,0|1,0,0]=3 3103 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [0,1,1,0,0,0|1,0,0]=3 3104 B7R0.1 CSCOCCCBr 34a_100011217188_100011218213 [0,1,1,0,0,0|2,0,0]=4 3105 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [0,1,1,0,0,0|2,0,0]=4 3106 B7R0.1 CSCOCCCF 34a_100000759539_100011218213 [0,1,1,0,0,0|2,0,0]=4 3107 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [0,1,1,0,0,0|1,0,0]=3 3108 B7R0.1 CSCOCCON 34a_100000700252_100011218213 [0,1,1,0,0,0|2,0,0]=4 3109 B7R0.1 CSCSCCCF 62a_100011218213_100011934791 [0,1,1,0,0,0|2,0,0]=4 3110 B7R0.1 CSCSCCCF 62a_100011934791_100011218213 [0,1,1,0,0,0|2,0,0]=4 3111 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [0,1,1,0,0,0|2,0,0]=4 3112 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [0,1,1,0,0,0|2,0,0]=4 3113 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [0,1,1,0,0,0|2,0,0]=4 3114 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [0,1,1,0,0,0|2,0,0]=4 3115 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [0,1,1,0,0,0|2,0,0]=4 3116 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [0,1,1,0,0,0|2,0,0]=4 3117 B7R0.1 FCCCNCCF 2230a_100015189416_100011217306 [0,1,1,0,0,0|1,0,0]=3 3118 B7R0.1 FCCCNCCF 34a_100000724931_100011934791 [0,1,1,0,0,0|1,0,0]=3 3119 B7R0.1 FCCCNCCF 34a_100015189416_100011217306 [0,1,1,0,0,0|1,0,0]=3 3120 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [0,1,1,0,0,0|2,0,0]=4 3121 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [0,1,1,0,0,0|2,0,0]=4 3122 B7R0.1 FCCCSCCF 62a_100011217306_100011934791 [0,1,1,0,0,0|2,0,0]=4 3123 B7R0.1 FCCCSCCF 62a_100011934791_100011217306 [0,1,1,0,0,0|2,0,0]=4 3124 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [0,1,1,0,0,0|2,0,0]=4 3125 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [0,1,1,0,0,0|2,0,0]=4 3126 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [0,1,1,0,0,0|2,0,0]=4 3127 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [0,1,1,0,0,0|2,0,0]=4 3128 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [0,1,1,0,0,0|2,0,0]=4 3129 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [0,1,1,0,0,0|2,0,0]=4 3130 B7R0.1 N#CCCNCCO 2230a_100016997473_100011215226 [0,1,1,0,0,0|1,0,1]=4 3131 B7R0.1 N#CCNCCCF 2230a_100015189416_100011215382 [0,1,1,0,0,0|1,0,1]=4 3132 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [0,1,1,0,0,0|1,0,0]=3 3133 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [0,1,1,0,0,0|1,0,1]=4 3134 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [0,1,1,0,0,0|1,0,0]=3 3135 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [0,1,1,0,0,0|1,0,0]=3 3136 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [0,1,1,0,0,0|1,0,0]=3 3137 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [0,1,1,0,0,0|1,0,0]=3 3138 B7R0.1 NOCCOCCF 34a_100000700252_100011217306 [0,1,1,0,0,0|2,0,0]=4 3139 B7R0.1 NOCCOCCO 34a_100000700252_100000211926 [0,1,1,0,0,0|2,0,0]=4 3140 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [0,1,1,0,0,0|1,0,1]=4 3141 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [0,1,1,0,0,0|1,0,1]=4 3142 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [0,1,1,0,0,0|1,0,0]=3 3143 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [0,1,1,0,0,0|2,0,0]=4 3144 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [0,1,1,0,0,0|2,0,0]=4 3145 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [0,1,1,0,0,0|1,0,0]=3 3146 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [0,1,1,0,0,0|1,0,0]=3 3147 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [0,1,1,0,0,0|1,0,0]=3 3148 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [0,1,1,0,0,0|2,0,0]=4 3149 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [0,1,1,0,0,0|2,0,0]=4 3150 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [0,1,1,0,0,0|2,0,0]=4 3151 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [0,1,1,0,0,0|2,0,0]=4 3152 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [0,1,1,0,0,0|2,0,0]=4 3153 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [0,1,1,0,0,0|1,0,0]=3 3154 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [0,1,1,0,0,0|1,0,0]=3 3155 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [0,1,1,0,0,0|1,0,0]=3 3156 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [0,1,1,0,0,0|1,0,0]=3 3157 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [0,1,1,0,0,0|2,0,0]=4 3158 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [0,1,1,0,0,0|2,0,0]=4 3159 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [0,1,1,0,0,0|2,0,0]=4 3160 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [0,1,1,0,0,0|2,0,0]=4 3161 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [0,1,1,0,0,0|2,0,0]=4 3162 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [0,1,1,0,0,0|1,0,0]=3 3163 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [0,1,1,0,0,0|1,0,0]=3 3164 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [0,1,1,0,0,0|2,0,0]=4 3165 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [0,1,1,0,0,0|2,0,0]=4 3166 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [0,1,1,0,0,0|2,0,0]=4 3167 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [0,1,1,0,0,0|1,0,0]=3 3168 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [0,1,1,0,0,0|1,0,0]=3 3169 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [0,1,1,0,0,0|1,0,0]=3 3170 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [0,1,1,0,0,0|1,0,0]=3 3171 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [0,1,1,0,0,0|1,0,0]=3 3172 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [0,1,1,0,0,0|1,0,0]=3 3173 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [0,1,1,0,0,0|0,0,0]=2 3174 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [0,1,1,0,0,0|2,0,0]=4 3175 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [0,1,1,0,0,0|2,0,0]=4 3176 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [0,1,1,0,0,0|2,0,0]=4 3177 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [0,1,1,0,0,0|2,0,0]=4 3178 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [0,1,1,0,0,0|2,0,0]=4 3179 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [0,1,1,0,0,0|2,0,0]=4 3180 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [0,1,1,0,0,0|2,0,0]=4 3181 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [0,1,1,0,0,0|2,0,0]=4 3182 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [0,1,1,0,0,0|1,0,0]=3 3183 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [0,1,1,0,0,0|0,0,2]=4 3184 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [0,1,1,0,0,0|0,0,2]=4 3185 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [0,1,1,0,0,0|1,0,1]=4 3186 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [0,1,1,0,0,0|1,0,1]=4 3187 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [0,1,1,0,0,0|1,0,0]=3 3188 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [0,1,1,0,0,0|1,0,0]=3 3189 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [0,1,1,0,0,0|1,0,0]=3 3190 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [0,1,1,0,0,0|1,0,0]=3 3191 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [0,1,1,0,0,0|2,0,0]=4 3192 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [0,1,1,0,0,0|2,0,0]=4 3193 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [0,1,0,0,1,0|1,0,0]=3 3194 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [0,1,0,0,1,0|1,0,0]=3 3195 B7R1.1 CCN1CCSC1 2230a_100011215254_100000210202 [0,1,0,0,1,0|2,0,0]=4 3196 B7R1.1 CCN1CCSC1 269982a_100011215254_100000204670 [0,1,0,0,1,0|2,0,0]=4 3197 B7R1.1 CNC1CC=CC1 2230a_100015188752_200000210301 [0,1,0,0,1,0|0,0,2]=4 3198 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [0,1,0,0,1,0|0,0,0]=2 3199 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [0,1,0,0,1,0|0,0,0]=2 3200 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [0,1,0,0,1,0|0,0,0]=2 3201 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [0,1,0,0,1,0|0,0,0]=2 3202 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [0,1,0,0,1,0|0,0,0]=2 3203 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [0,1,0,0,1,0|0,0,0]=2 3204 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [0,1,0,0,1,0|1,0,0]=3 3205 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [0,1,0,0,1,0|1,0,0]=3 3206 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [0,1,0,0,1,0|1,0,0]=3 3207 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [0,1,0,0,1,0|1,0,0]=3 3208 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [0,1,0,0,1,0|1,0,0]=3 3209 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [0,1,0,0,1,0|1,0,0]=3 3210 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [0,1,0,0,1,0|1,0,0]=3 3211 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [0,1,0,0,1,0|1,0,0]=3 3212 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,1,0,0,1,0|0,0,0]=2 3213 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,1,0,0,1,0|0,0,0]=2 3214 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,1,0,0,1,0|0,0,0]=2 3215 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [0,1,0,0,1,0|1,0,0]=3 3216 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,1,0,0,1,0|1,0,0]=3 3217 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [0,1,0,0,1,0|1,0,0]=3 3218 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,1,0,0,1,0|1,0,0]=3 3219 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [0,1,0,0,1,0|0,0,0]=2 3220 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [0,1,0,0,1,0|0,0,0]=2 3221 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,1,0,0,1,0|1,0,0]=3 3222 B7R1.1 FCN1CCCC1 269982a_100000188435_100015361967 [0,1,0,0,1,0|1,0,0]=3 3223 B7R1.1 FCN1CCSC1 269982a_100011215254_100015361967 [0,1,0,0,1,0|2,0,0]=4 3224 B7R1.1 [13CH3]NC1CC=CC1 2230a_100015188752_200025704644 [0,1,0,0,1,0|0,0,2]=4 3225 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [0,1,0,0,1,0|0,0,0]=2 3226 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [0,1,0,0,1,0|0,0,0]=2 3227 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [0,1,0,0,1,0|1,0,0]=3 3228 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [0,1,0,0,1,0|1,0,0]=3 3229 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [0,1,0,0,1,0|1,0,0]=3 3230 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,1,0,0,1,0|0,0,0]=2 3231 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,1,0,0,1,0|0,0,0]=2 3232 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [0,1,0,0,1,0|1,0,0]=3 3233 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [0,1,0,0,1,0|1,0,0]=3 3234 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,1,0,0,1,0|1,0,0]=3 3235 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [0,1,0,0,1,0|0,0,0]=2 3236 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [0,1,0,0,1,0|0,0,0]=2 3237 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,1,0,0,1,0|1,0,0]=3 3238 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [0,1,0,0,1,0|1,0,0]=3 3239 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [0,1,0,0,1,0|1,0,0]=3 3240 B7R1.2 CN1CC[C@@H](C1)F 2230a_100015203821_200000210301 [0,1,0,0,1,0|1,0,0]=3 3241 B7R1.2 CN1CC[C@@H](C1)F 269982a_100015203821_200000210301 [0,1,0,0,1,0|1,0,0]=3 3242 B7R1.2 CN1CC[C@@H](C1)F 34a_100015203821_200000210301 [0,1,0,0,1,0|1,0,0]=3 3243 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,1,0,0,1,0|1,0,0]=3 3244 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,1,0,0,1,0|1,0,0]=3 3245 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,1,0,0,1,0|1,0,0]=3 3246 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,1,0,0,1,0|1,0,0]=3 3247 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,1,0,0,1,0|1,0,0]=3 3248 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,1,0,0,1,0|1,0,0]=3 3249 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [0,1,0,0,1,0|1,0,0]=3 3250 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [0,1,0,0,1,0|1,0,0]=3 3251 B7R1.2 [13CH3]N1CC[C@@H](C1)F 2230a_100015203821_200025704644 [0,1,0,0,1,0|1,0,0]=3 3252 B7R1.2 [13CH3]N1CC[C@@H](C1)F 269982a_100015203821_200025704644 [0,1,0,0,1,0|1,0,0]=3 3253 B7R1.2 [13CH3]N1CC[C@@H](C1)F 34a_100015203821_200025704644 [0,1,0,0,1,0|1,0,0]=3 3254 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [0,1,0,0,1,0|1,0,0]=3 3255 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [0,1,0,0,1,0|1,0,0]=3 3256 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [0,1,0,0,1,0|1,0,0]=3 3257 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [0,1,0,0,1,0|1,0,0]=3 3258 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [0,1,0,0,1,0|1,0,0]=3 3259 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [0,1,0,0,1,0|1,0,0]=3 3260 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,1,0,0,1,0|0,0,0]=2 3261 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,1,0,0,1,0|0,0,0]=2 3262 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,1,0,0,1,0|0,0,0]=2 3263 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,1,0,0,1,0|0,0,0]=2 3264 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,1,0,0,1,0|0,0,0]=2 3265 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,1,0,0,1,0|0,0,0]=2 3266 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,1,0,0,1,0|0,0,0]=2 3267 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,1,0,0,1,0|0,0,0]=2 3268 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,1,0,0,1,0|0,0,0]=2 3269 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,1,0,0,1,0|0,0,0]=2 3270 B9R1.48 CN1CCCCC(C1)O 2230a_100025706797_200000210301 [0,1,0,0,0,1|1,0,0]=3 3271 B9R1.48 CN1CCCCC(C1)O 269982a_100025706797_200000210301 [0,1,0,0,0,1|1,0,0]=3 3272 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,1,0,0,0,1|1,0,1]=4 3273 B9R1.48 CN1CCOC[C@@H](C1)O 2230a_100016073750_200000210301 [0,1,0,0,0,1|2,0,0]=4 3274 B9R1.48 CN1CCOC[C@@H](C1)O 269982a_100016073750_200000210301 [0,1,0,0,0,1|2,0,0]=4 3275 B9R1.48 [13CH3]N1CCCCC(C1)O 2230a_100025706797_200025704644 [0,1,0,0,0,1|1,0,0]=3 3276 B9R1.48 [13CH3]N1CCCCC(C1)O 269982a_100025706797_200025704644 [0,1,0,0,0,1|1,0,0]=3 3277 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,1,0,0,0,1|1,0,1]=4 3278 B9R1.48 [13CH3]N1CCOC[C@@H](C1)O 2230a_100016073750_200025704644 [0,1,0,0,0,1|2,0,0]=4 3279 B9R1.48 [13CH3]N1CCOC[C@@H](C1)O 269982a_100016073750_200025704644 [0,1,0,0,0,1|2,0,0]=4 3280 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [0,1,0,0,0,1|1,0,0]=3 3281 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [0,1,0,0,0,1|1,0,0]=3 3282 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [0,1,0,0,0,1|1,0,0]=3 3283 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [0,1,0,0,0,1|1,0,0]=3 3284 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [0,1,0,0,0,1|1,0,0]=3 3285 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [0,1,0,0,0,1|1,0,0]=3 3286 B9R1.49 CN1CCCC(CC1)O 2230a_100015186869_200000210301 [0,1,0,0,0,1|2,0,0]=4 3287 B9R1.49 CN1CCCC(CC1)O 269982a_100015186869_200000210301 [0,1,0,0,0,1|2,0,0]=4 3288 B9R1.49 CN1CCCN(CC1)C 2230a_100000211313_200000210301 [0,1,0,0,0,1|2,0,0]=4 3289 B9R1.49 CN1CCCN(CC1)C 269982a_100000211313_200000210301 [0,1,0,0,0,1|2,0,0]=4 3290 B9R1.49 CN1CCCN(CC1)[13CH3] 2230a_100000211313_200025704644 [0,1,0,0,0,1|2,0,0]=4 3291 B9R1.49 CN1CCCN(CC1)[13CH3] 269982a_100000211313_200025704644 [0,1,0,0,0,1|2,0,0]=4 3292 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,1,0,0,0,1|1,0,1]=4 3293 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,1,0,0,0,1|1,0,1]=4 3294 B9R1.49 [13CH3]N1CCCC(CC1)O 2230a_100015186869_200025704644 [0,1,0,0,0,1|2,0,0]=4 3295 B9R1.49 [13CH3]N1CCCC(CC1)O 269982a_100015186869_200025704644 [0,1,0,0,0,1|2,0,0]=4 3296 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,1,0,0,0,1|1,0,1]=4 3297 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,1,0,0,0,1|1,0,1]=4 3298 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [0,1,0,0,0,1|2,0,0]=4 3299 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [0,1,0,0,0,1|2,0,0]=4 3300 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [0,1,0,0,0,1|2,0,0]=4 3301 B9R1.89 CCN1CCCOCC1 2230a_100000685342_100000210202 [0,1,0,0,0,1|2,0,0]=4 3302 B9R1.89 CCN1CCCOCC1 269982a_100000685342_100000204670 [0,1,0,0,0,1|2,0,0]=4 3303 B9R1.89 CCN1CCCOCC1 34a_100000685342_100000210202 [0,1,0,0,0,1|2,0,0]=4 3304 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [0,1,0,0,0,1|1,0,0]=3 3305 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [0,1,0,0,0,1|1,0,0]=3 3306 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [0,1,0,0,0,1|1,0,0]=3 3307 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [0,1,0,0,0,1|1,0,0]=3 3308 B9R1.89 CNC1CCCNCC1 270004a_106832991635_100015187895 [0,1,0,0,0,1|1,0,0]=3 3309 B9R1.89 CNC1CSCCSC1 270004a_106832991635_100000068409 [0,1,0,0,0,1|2,0,0]=4 3310 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [0,1,0,0,0,1|1,0,0]=3 3311 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [0,1,0,0,0,1|1,0,0]=3 3312 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [0,1,0,0,0,1|1,0,0]=3 3313 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [0,1,0,0,0,1|1,0,0]=3 3314 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [0,1,0,0,0,1|1,0,0]=3 3315 B9R1.89 FCN1CCCCCC1 269982a_100000185865_100015361967 [0,1,0,0,0,1|2,0,0]=4 3316 B9R1.89 FCN1CCCCCC1 34a_100000185865_100015361967 [0,1,0,0,0,1|2,0,0]=4 3317 B9R1.89 FCN1CCCOCC1 269982a_100000685342_100015361967 [0,1,0,0,0,1|2,0,0]=4 3318 B9R1.89 FCN1CCCOCC1 34a_100000685342_100015361967 [0,1,0,0,0,1|2,0,0]=4 3319 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [0,1,0,0,0,1|1,0,0]=3 3320 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [0,1,0,0,0,1|1,0,0]=3 3321 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [0,1,0,0,0,1|1,0,0]=3 3322 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [0,1,0,0,0,1|1,0,0]=3 3323 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [0,1,0,0,0,1|1,0,0]=3 3324 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [0,1,0,0,0,1|1,0,0]=3 3325 B9R1.1 C#CC1CCN(CC1)C 2230a_100016991398_200000210301 [0,2,0,0,0,0|2,0,0]=4 3326 B9R1.1 C#CC1CCN(CC1)C 269982a_100016991398_200000210301 [0,2,0,0,0,0|2,0,0]=4 3327 B9R1.1 C#CC1CCN(CC1)C 34a_100016991398_200000210301 [0,2,0,0,0,0|2,0,0]=4 3328 B9R1.1 C#CC1CCN(CC1)[13CH3] 2230a_100016991398_200025704644 [0,2,0,0,0,0|2,0,0]=4 3329 B9R1.1 C#CC1CCN(CC1)[13CH3] 269982a_100016991398_200025704644 [0,2,0,0,0,0|2,0,0]=4 3330 B9R1.1 C#CC1CCN(CC1)[13CH3] 34a_100016991398_200025704644 [0,2,0,0,0,0|2,0,0]=4 3331 B9R1.1 C=C1CCC(CC1)NC 270004a_106832991635_100010272673 [0,2,0,0,0,0|1,0,1]=4 3332 B9R1.1 CC1CCC(CC1)O[13CH3] 34a_100000210714_200025704644 [0,2,0,0,0,0|1,0,0]=3 3333 B9R1.1 CC1CCC(CC1)O[13CH3] 7a_100000210714_200025704644 [0,2,0,0,0,0|1,0,0]=3 3334 B9R1.1 CC1CCC(CC1)S[13CH3] 62a_200025704644_200011216234 [0,2,0,0,0,0|1,0,0]=3 3335 B9R1.1 CC1CCN(CC1)CF 269982a_100000188429_100015361967 [0,2,0,0,0,0|2,0,0]=4 3336 B9R1.1 CC1CCN(CC1)CF 34a_100000188429_100015361967 [0,2,0,0,0,0|2,0,0]=4 3337 B9R1.1 CCC1CCN(CC1)C 2230a_100000754474_200000210301 [0,2,0,0,0,0|2,0,0]=4 3338 B9R1.1 CCC1CCN(CC1)C 269982a_100000754474_200000210301 [0,2,0,0,0,0|2,0,0]=4 3339 B9R1.1 CCC1CCN(CC1)C 34a_100000754474_200000210301 [0,2,0,0,0,0|2,0,0]=4 3340 B9R1.1 CCC1CCN(CC1)[13CH3] 2230a_100000754474_200025704644 [0,2,0,0,0,0|2,0,0]=4 3341 B9R1.1 CCC1CCN(CC1)[13CH3] 269982a_100000754474_200025704644 [0,2,0,0,0,0|2,0,0]=4 3342 B9R1.1 CCC1CCN(CC1)[13CH3] 34a_100000754474_200025704644 [0,2,0,0,0,0|2,0,0]=4 3343 B9R1.1 CCN1CCC(CC1)C 2230a_100000188429_100000210202 [0,2,0,0,0,0|2,0,0]=4 3344 B9R1.1 CCN1CCC(CC1)C 269982a_100000188429_100000204670 [0,2,0,0,0,0|2,0,0]=4 3345 B9R1.1 CCN1CCC(CC1)C 34a_100000188429_100000210202 [0,2,0,0,0,0|2,0,0]=4 3346 B9R1.1 CCN1CCC(CC1)F 2230a_100015193889_100000210202 [0,2,0,0,0,0|2,0,0]=4 3347 B9R1.1 CCN1CCC(CC1)F 269982a_100015193889_100000204670 [0,2,0,0,0,0|2,0,0]=4 3348 B9R1.1 CCN1CCC(CC1)F 34a_100015193889_100000210202 [0,2,0,0,0,0|2,0,0]=4 3349 B9R1.1 CCN1CCC(CC1)O 2230a_100025773856_100000210202 [0,2,0,0,0,0|2,0,0]=4 3350 B9R1.1 CCN1CCC(CC1)O 269982a_100025773856_100000204670 [0,2,0,0,0,0|2,0,0]=4 3351 B9R1.1 CN1CCC(CC1)C#N 2230a_100000747632_200000210301 [0,2,0,0,0,0|2,0,0]=4 3352 B9R1.1 CN1CCC(CC1)CF 2230a_100015203933_200000210301 [0,2,0,0,0,0|2,0,0]=4 3353 B9R1.1 CN1CCC(CC1)CF 269982a_100015203933_200000210301 [0,2,0,0,0,0|2,0,0]=4 3354 B9R1.1 CN1CCC(CC1)CF 34a_100015203933_200000210301 [0,2,0,0,0,0|2,0,0]=4 3355 B9R1.1 CN1CCC(CC1)CO 2230a_100000738675_200000210301 [0,2,0,0,0,0|2,0,0]=4 3356 B9R1.1 CN1CCC(CC1)CO 269982a_100000738675_200000210301 [0,2,0,0,0,0|2,0,0]=4 3357 B9R1.1 CN1CCC(CC1)CO 34a_100000738675_200000210301 [0,2,0,0,0,0|2,0,0]=4 3358 B9R1.1 CN1CCC(CC1)S[13CH3] 62a_200025704644_100011215917 [0,2,0,0,0,0|2,0,0]=4 3359 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [0,2,0,0,0,0|1,0,1]=4 3360 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [0,2,0,0,0,0|1,0,1]=4 3361 B9R1.1 CNC1CCC(CC1)C 270004a_106832991635_100000185489 [0,2,0,0,0,0|1,0,0]=3 3362 B9R1.1 CNC1CCC(CC1)C 34a_100102657272_200011216234 [0,2,0,0,0,0|1,0,0]=3 3363 B9R1.1 CNC1CCC(CC1)O 270004a_106832991635_100000764474 [0,2,0,0,0,0|1,0,0]=3 3364 B9R1.1 CNC1CCN(CC1)C 270004a_106832991635_100000210137 [0,2,0,0,0,0|2,0,0]=4 3365 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_200000210301 [0,2,0,0,0,0|1,0,0]=3 3366 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_200000210301 [0,2,0,0,0,0|1,0,0]=3 3367 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,2,0,0,0,0|1,0,1]=4 3368 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,2,0,0,0,0|1,0,1]=4 3369 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [0,2,0,0,0,0|1,0,1]=4 3370 B9R1.1 COC1CCC(CC1)C 34a_100000210714_200000210301 [0,2,0,0,0,0|1,0,0]=3 3371 B9R1.1 COC1CCC(CC1)C 34a_100138415774_200011216234 [0,2,0,0,0,0|1,0,0]=3 3372 B9R1.1 COC1CCC(CC1)C 7a_100000210714_200000210301 [0,2,0,0,0,0|1,0,0]=3 3373 B9R1.1 COC1CCN(CC1)C 2230a_100000234800_200000210301 [0,2,0,0,0,0|2,0,0]=4 3374 B9R1.1 COC1CCN(CC1)C 269982a_100000234800_200000210301 [0,2,0,0,0,0|2,0,0]=4 3375 B9R1.1 COC1CCN(CC1)C 34a_100000234800_200000210301 [0,2,0,0,0,0|2,0,0]=4 3376 B9R1.1 COC1CCN(CC1)[13CH3] 2230a_100000234800_200025704644 [0,2,0,0,0,0|2,0,0]=4 3377 B9R1.1 COC1CCN(CC1)[13CH3] 269982a_100000234800_200025704644 [0,2,0,0,0,0|2,0,0]=4 3378 B9R1.1 COC1CCN(CC1)[13CH3] 34a_100000234800_200025704644 [0,2,0,0,0,0|2,0,0]=4 3379 B9R1.1 CO[C@H]1CC[C@H](CC1)N 34a_100020628982_200000210301 [0,2,0,0,0,0|1,0,0]=3 3380 B9R1.1 CSC1CCC(CC1)C 62a_200000210301_200011216234 [0,2,0,0,0,0|1,0,0]=3 3381 B9R1.1 CSC1CCN(CC1)C 2230a_100015202541_200000210301 [0,2,0,0,0,0|2,0,0]=4 3382 B9R1.1 CSC1CCN(CC1)C 269982a_100015202541_200000210301 [0,2,0,0,0,0|2,0,0]=4 3383 B9R1.1 CSC1CCN(CC1)C 34a_100015202541_200000210301 [0,2,0,0,0,0|2,0,0]=4 3384 B9R1.1 CSC1CCN(CC1)C 62a_200000210301_100011215917 [0,2,0,0,0,0|2,0,0]=4 3385 B9R1.1 CSC1CCN(CC1)[13CH3] 2230a_100015202541_200025704644 [0,2,0,0,0,0|2,0,0]=4 3386 B9R1.1 CSC1CCN(CC1)[13CH3] 269982a_100015202541_200025704644 [0,2,0,0,0,0|2,0,0]=4 3387 B9R1.1 CSC1CCN(CC1)[13CH3] 34a_100015202541_200025704644 [0,2,0,0,0,0|2,0,0]=4 3388 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 2230a_100020625639_200025704644 [0,2,0,0,0,0|1,0,0]=3 3389 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 34a_100020625639_200025704644 [0,2,0,0,0,0|1,0,0]=3 3390 B9R1.1 FCN1CCC(CC1)F 269982a_100015193889_100015361967 [0,2,0,0,0,0|2,0,0]=4 3391 B9R1.1 FCN1CCC(CC1)F 34a_100015193889_100015361967 [0,2,0,0,0,0|2,0,0]=4 3392 B9R1.1 OC1CCN(CC1)CF 269982a_100025773856_100015361967 [0,2,0,0,0,0|2,0,0]=4 3393 B9R1.1 [13CH3]N1CCC(CC1)C#N 2230a_100000747632_200025704644 [0,2,0,0,0,0|2,0,0]=4 3394 B9R1.1 [13CH3]N1CCC(CC1)CF 2230a_100015203933_200025704644 [0,2,0,0,0,0|2,0,0]=4 3395 B9R1.1 [13CH3]N1CCC(CC1)CF 269982a_100015203933_200025704644 [0,2,0,0,0,0|2,0,0]=4 3396 B9R1.1 [13CH3]N1CCC(CC1)CF 34a_100015203933_200025704644 [0,2,0,0,0,0|2,0,0]=4 3397 B9R1.1 [13CH3]N1CCC(CC1)CO 2230a_100000738675_200025704644 [0,2,0,0,0,0|2,0,0]=4 3398 B9R1.1 [13CH3]N1CCC(CC1)CO 269982a_100000738675_200025704644 [0,2,0,0,0,0|2,0,0]=4 3399 B9R1.1 [13CH3]N1CCC(CC1)CO 34a_100000738675_200025704644 [0,2,0,0,0,0|2,0,0]=4 3400 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [0,2,0,0,0,0|1,0,1]=4 3401 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [0,2,0,0,0,0|1,0,1]=4 3402 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,2,0,0,0,0|1,0,1]=4 3403 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,2,0,0,0,0|1,0,1]=4 3404 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [0,2,0,0,0,0|1,0,1]=4 3405 B9R1.1 [13CH3]O[C@H]1CC[C@H](CC1)N 34a_100020628982_200025704644 [0,2,0,0,0,0|1,0,0]=3 3406 B9R1.2 C#CC1CCCN(C1)C 2230a_100015191679_200000210301 [0,2,0,0,0,0|2,0,0]=4 3407 B9R1.2 C#CC1CCCN(C1)C 269982a_100015191679_200000210301 [0,2,0,0,0,0|2,0,0]=4 3408 B9R1.2 C#CC1CCCN(C1)C 34a_100015191679_200000210301 [0,2,0,0,0,0|2,0,0]=4 3409 B9R1.2 C#CC1CCCN(C1)[13CH3] 2230a_100015191679_200025704644 [0,2,0,0,0,0|2,0,0]=4 3410 B9R1.2 C#CC1CCCN(C1)[13CH3] 269982a_100015191679_200025704644 [0,2,0,0,0,0|2,0,0]=4 3411 B9R1.2 C#CC1CCCN(C1)[13CH3] 34a_100015191679_200025704644 [0,2,0,0,0,0|2,0,0]=4 3412 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [0,2,0,0,0,0|1,0,1]=4 3413 B9R1.2 CC1CC(CCO1)O[13CH3] 34a_100011986385_200025704644 [0,2,0,0,0,0|1,0,0]=3 3414 B9R1.2 CC1CC(CCO1)O[13CH3] 7a_100011986385_200025704644 [0,2,0,0,0,0|1,0,0]=3 3415 B9R1.2 CC1CCCC(C1)N[13CH3] 2230a_100011194320_200025704644 [0,2,0,0,0,0|1,0,0]=3 3416 B9R1.2 CC1CCCC(C1)N[13CH3] 34a_100011194320_200025704644 [0,2,0,0,0,0|1,0,0]=3 3417 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [0,2,0,0,0,0|1,0,0]=3 3418 B9R1.2 CC1CN(CCO1)CF 269982a_100000729577_100015361967 [0,2,0,0,0,0|2,0,0]=4 3419 B9R1.2 CC1CN(CCO1)CF 34a_100000729577_100015361967 [0,2,0,0,0,0|2,0,0]=4 3420 B9R1.2 CCC1CN(CCO1)C 2230a_100000736320_200000210301 [0,2,0,0,0,0|2,0,0]=4 3421 B9R1.2 CCC1CN(CCO1)C 269982a_100000736320_200000210301 [0,2,0,0,0,0|2,0,0]=4 3422 B9R1.2 CCC1CN(CCO1)C 34a_100000736320_200000210301 [0,2,0,0,0,0|2,0,0]=4 3423 B9R1.2 CCC1CN(CCO1)[13CH3] 2230a_100000736320_200025704644 [0,2,0,0,0,0|2,0,0]=4 3424 B9R1.2 CCC1CN(CCO1)[13CH3] 269982a_100000736320_200025704644 [0,2,0,0,0,0|2,0,0]=4 3425 B9R1.2 CCC1CN(CCO1)[13CH3] 34a_100000736320_200025704644 [0,2,0,0,0,0|2,0,0]=4 3426 B9R1.2 CCN1CCCC(C1)F 2230a_100000697950_100000210202 [0,2,0,0,0,0|2,0,0]=4 3427 B9R1.2 CCN1CCCC(C1)F 269982a_100000697950_100000204670 [0,2,0,0,0,0|2,0,0]=4 3428 B9R1.2 CCN1CCCC(C1)F 34a_100000697950_100000210202 [0,2,0,0,0,0|2,0,0]=4 3429 B9R1.2 CCN1CCCC(C1)O 2230a_100000211013_100000210202 [0,2,0,0,0,0|2,0,0]=4 3430 B9R1.2 CCN1CCCC(C1)O 269982a_100000211013_100000204670 [0,2,0,0,0,0|2,0,0]=4 3431 B9R1.2 CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210202 [0,2,0,0,0,0|2,0,0]=4 3432 B9R1.2 CCN1CCC[C@@H](C1)C 269982a_100000717927_100000204670 [0,2,0,0,0,0|2,0,0]=4 3433 B9R1.2 CCN1CCC[C@@H](C1)C 34a_100000717927_100000210202 [0,2,0,0,0,0|2,0,0]=4 3434 B9R1.2 CCN1CCOC(C1)C 2230a_100000729577_100000210202 [0,2,0,0,0,0|2,0,0]=4 3435 B9R1.2 CCN1CCOC(C1)C 269982a_100000729577_100000204670 [0,2,0,0,0,0|2,0,0]=4 3436 B9R1.2 CCN1CCOC(C1)C 34a_100000729577_100000210202 [0,2,0,0,0,0|2,0,0]=4 3437 B9R1.2 CN1CCCC(C1)C#N 2230a_100016989302_200000210301 [0,2,0,0,0,0|2,0,0]=4 3438 B9R1.2 CN1CCCC(C1)C#N 269982a_206835378768_200000210301 [0,2,0,0,0,0|2,0,0]=4 3439 B9R1.2 CN1CCCC(C1)CF 2230a_100016992999_200000210301 [0,2,0,0,0,0|2,0,0]=4 3440 B9R1.2 CN1CCCC(C1)CF 269982a_100016992999_200000210301 [0,2,0,0,0,0|2,0,0]=4 3441 B9R1.2 CN1CCCC(C1)CF 34a_100016992999_200000210301 [0,2,0,0,0,0|2,0,0]=4 3442 B9R1.2 CN1CCCC(C1)CO 2230a_100000211344_200000210301 [0,2,0,0,0,0|2,0,0]=4 3443 B9R1.2 CN1CCCC(C1)CO 269982a_100000211344_200000210301 [0,2,0,0,0,0|2,0,0]=4 3444 B9R1.2 CN1CCCC(C1)CO 34a_100000211344_200000210301 [0,2,0,0,0,0|2,0,0]=4 3445 B9R1.2 CN1CCO[C@@H](C1)CO 2230a_100015189573_200000210301 [0,2,0,0,0,0|2,0,0]=4 3446 B9R1.2 CN1CCO[C@@H](C1)CO 269982a_100015189573_200000210301 [0,2,0,0,0,0|2,0,0]=4 3447 B9R1.2 CN1CCO[C@@H](C1)CO 34a_100015189573_200000210301 [0,2,0,0,0,0|2,0,0]=4 3448 B9R1.2 CNC1CCCC(C1)C 2230a_100011194320_200000210301 [0,2,0,0,0,0|1,0,0]=3 3449 B9R1.2 CNC1CCCC(C1)C 270004a_106832991635_100000183594 [0,2,0,0,0,0|1,0,0]=3 3450 B9R1.2 CNC1CCCC(C1)C 34a_100011194320_200000210301 [0,2,0,0,0,0|1,0,0]=3 3451 B9R1.2 CNC1CCCC(C1)O 2230a_100015190357_200000210301 [0,2,0,0,0,0|1,0,0]=3 3452 B9R1.2 CNC1CCCC(C1)O 270004a_106832991635_100012613340 [0,2,0,0,0,0|1,0,0]=3 3453 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,2,0,0,0,0|1,0,1]=4 3454 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,2,0,0,0,0|1,0,1]=4 3455 B9R1.2 CNC1CCN[C@@H](C1)C 270004a_106832991635_100016994030 [0,2,0,0,0,0|0,0,0]=2 3456 B9R1.2 CNC1CCOC(C1)C 270004a_106832991635_100000755752 [0,2,0,0,0,0|1,0,0]=3 3457 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [0,2,0,0,0,0|1,0,1]=4 3458 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,2,0,0,0,0|1,0,1]=4 3459 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [0,2,0,0,0,0|1,0,0]=3 3460 B9R1.2 COC1CCCN(C1)C 2230a_100000695604_200000210301 [0,2,0,0,0,0|2,0,0]=4 3461 B9R1.2 COC1CCCN(C1)C 269982a_100000695604_200000210301 [0,2,0,0,0,0|2,0,0]=4 3462 B9R1.2 COC1CCCN(C1)C 34a_100000695604_200000210301 [0,2,0,0,0,0|2,0,0]=4 3463 B9R1.2 COC1CCCN(C1)[13CH3] 2230a_100000695604_200025704644 [0,2,0,0,0,0|2,0,0]=4 3464 B9R1.2 COC1CCCN(C1)[13CH3] 269982a_100000695604_200025704644 [0,2,0,0,0,0|2,0,0]=4 3465 B9R1.2 COC1CCCN(C1)[13CH3] 34a_100000695604_200025704644 [0,2,0,0,0,0|2,0,0]=4 3466 B9R1.2 COC1CCOC(C1)C 34a_100011986385_200000210301 [0,2,0,0,0,0|1,0,0]=3 3467 B9R1.2 COC1CCOC(C1)C 7a_100011986385_200000210301 [0,2,0,0,0,0|1,0,0]=3 3468 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,2,0,0,0,0|1,0,1]=4 3469 B9R1.2 C[C@H]1CCCN(C1)CF 269982a_100000717927_100015361967 [0,2,0,0,0,0|2,0,0]=4 3470 B9R1.2 C[C@H]1CCCN(C1)CF 34a_100000717927_100015361967 [0,2,0,0,0,0|2,0,0]=4 3471 B9R1.2 FCN1CCCC(C1)F 269982a_100000697950_100015361967 [0,2,0,0,0,0|2,0,0]=4 3472 B9R1.2 FCN1CCCC(C1)F 34a_100000697950_100015361967 [0,2,0,0,0,0|2,0,0]=4 3473 B9R1.2 OC1CCCN(C1)CF 269982a_100000211013_100015361967 [0,2,0,0,0,0|2,0,0]=4 3474 B9R1.2 [13CH3]N1CCCC(C1)C#N 2230a_100016989302_200025704644 [0,2,0,0,0,0|2,0,0]=4 3475 B9R1.2 [13CH3]N1CCCC(C1)C#N 269982a_206835378768_200025704644 [0,2,0,0,0,0|2,0,0]=4 3476 B9R1.2 [13CH3]N1CCCC(C1)CF 2230a_100016992999_200025704644 [0,2,0,0,0,0|2,0,0]=4 3477 B9R1.2 [13CH3]N1CCCC(C1)CF 269982a_100016992999_200025704644 [0,2,0,0,0,0|2,0,0]=4 3478 B9R1.2 [13CH3]N1CCCC(C1)CF 34a_100016992999_200025704644 [0,2,0,0,0,0|2,0,0]=4 3479 B9R1.2 [13CH3]N1CCCC(C1)CO 2230a_100000211344_200025704644 [0,2,0,0,0,0|2,0,0]=4 3480 B9R1.2 [13CH3]N1CCCC(C1)CO 269982a_100000211344_200025704644 [0,2,0,0,0,0|2,0,0]=4 3481 B9R1.2 [13CH3]N1CCCC(C1)CO 34a_100000211344_200025704644 [0,2,0,0,0,0|2,0,0]=4 3482 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 2230a_100015189573_200025704644 [0,2,0,0,0,0|2,0,0]=4 3483 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 269982a_100015189573_200025704644 [0,2,0,0,0,0|2,0,0]=4 3484 B9R1.2 [13CH3]N1CCO[C@@H](C1)CO 34a_100015189573_200025704644 [0,2,0,0,0,0|2,0,0]=4 3485 B9R1.2 [13CH3]NC1CCCC(C1)O 2230a_100015190357_200025704644 [0,2,0,0,0,0|1,0,0]=3 3486 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,2,0,0,0,0|1,0,1]=4 3487 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,2,0,0,0,0|1,0,1]=4 3488 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,2,0,0,0,0|1,0,1]=4 3489 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,2,0,0,0,0|1,0,1]=4 3490 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,2,0,0,0,0|1,0,1]=4 3491 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,2,0,0,0,0|1,0,1]=4 3492 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,2,0,0,0,0|1,0,0]=3 3493 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,2,0,0,0,0|1,0,0]=3 3494 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,2,0,0,0,0|1,0,0]=3 3495 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,2,0,0,0,0|2,0,0]=4 3496 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,2,0,0,0,0|2,0,0]=4 3497 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,2,0,0,0,0|2,0,0]=4 3498 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,2,0,0,0,0|2,0,0]=4 3499 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,2,0,0,0,0|2,0,0]=4 3500 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,2,0,0,0,0|2,0,0]=4 3501 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [0,2,0,0,0,0|2,0,0]=4 3502 B9R1.6 CN(C)C1C=CCCC1 2230a_100102631434_100000751183 [0,2,0,0,0,0|1,0,1]=4 3503 B9R1.6 CN(C)C1C=CCCC1 269982a_100102631434_100000751183 [0,2,0,0,0,0|1,0,1]=4 3504 B9R1.6 CN(C)C1CCCCC1 2230a_100000207522_200000210301 [0,2,0,0,0,0|1,0,0]=3 3505 B9R1.6 CN(C)C1CCCCC1 269982a_100000207522_200000210301 [0,2,0,0,0,0|1,0,0]=3 3506 B9R1.6 CN(C)C1CCCCC1 269982a_100102631434_100000210327 [0,2,0,0,0,0|1,0,0]=3 3507 B9R1.6 CN(C)C1CCCCC1 270004a_100102631434_100000210434 [0,2,0,0,0,0|1,0,0]=3 3508 B9R1.6 CN(C)C1CCCCC1 34a_100000207522_200000210301 [0,2,0,0,0,0|1,0,0]=3 3509 B9R1.6 CN(C)C1CCCOC1 269982a_100102631434_100000693364 [0,2,0,0,0,0|2,0,0]=4 3510 B9R1.6 CN(C)C1CCCOC1 270004a_100102631434_100000753404 [0,2,0,0,0,0|2,0,0]=4 3511 B9R1.6 CN(C)C1CCCSC1 270004a_100102631434_100000057913 [0,2,0,0,0,0|2,0,0]=4 3512 B9R1.6 CN(C)C1CCNCC1 270004a_100102631434_100015192401 [0,2,0,0,0,0|2,0,0]=4 3513 B9R1.6 CN(C)C1CCOCC1 2230a_100020587155_200000210301 [0,2,0,0,0,0|2,0,0]=4 3514 B9R1.6 CN(C)C1CCOCC1 269982a_100020587155_200000210301 [0,2,0,0,0,0|2,0,0]=4 3515 B9R1.6 CN(C)C1CCOCC1 269982a_100102631434_100011324220 [0,2,0,0,0,0|2,0,0]=4 3516 B9R1.6 CN(C)C1CCOCC1 270004a_100102631434_100011217826 [0,2,0,0,0,0|2,0,0]=4 3517 B9R1.6 CN(C)C1CCOCC1 34a_100020587155_200000210301 [0,2,0,0,0,0|2,0,0]=4 3518 B9R1.6 CN(C)C1CCSCC1 2230a_100015184757_200000210301 [0,2,0,0,0,0|2,0,0]=4 3519 B9R1.6 CN(C)C1CCSCC1 269982a_100015184757_200000210301 [0,2,0,0,0,0|2,0,0]=4 3520 B9R1.6 CN(C)C1CCSCC1 269982a_100102631434_100000069128 [0,2,0,0,0,0|2,0,0]=4 3521 B9R1.6 CN(C)C1CCSCC1 270004a_100102631434_100000203788 [0,2,0,0,0,0|2,0,0]=4 3522 B9R1.6 CN(C)C1CCSCC1 34a_100015184757_200000210301 [0,2,0,0,0,0|2,0,0]=4 3523 B9R1.6 CN([13CH3])C1CCCCC1 2230a_100000207522_200025704644 [0,2,0,0,0,0|1,0,0]=3 3524 B9R1.6 CN([13CH3])C1CCCCC1 269982a_100000207522_200025704644 [0,2,0,0,0,0|1,0,0]=3 3525 B9R1.6 CN([13CH3])C1CCCCC1 34a_100000207522_200025704644 [0,2,0,0,0,0|1,0,0]=3 3526 B9R1.6 CN([13CH3])C1CCOCC1 2230a_100020587155_200025704644 [0,2,0,0,0,0|2,0,0]=4 3527 B9R1.6 CN([13CH3])C1CCOCC1 269982a_100020587155_200025704644 [0,2,0,0,0,0|2,0,0]=4 3528 B9R1.6 CN([13CH3])C1CCOCC1 34a_100020587155_200025704644 [0,2,0,0,0,0|2,0,0]=4 3529 B9R1.6 CN([13CH3])C1CCSCC1 2230a_100015184757_200025704644 [0,2,0,0,0,0|2,0,0]=4 3530 B9R1.6 CN([13CH3])C1CCSCC1 269982a_100015184757_200025704644 [0,2,0,0,0,0|2,0,0]=4 3531 B9R1.6 CN([13CH3])C1CCSCC1 34a_100015184757_200025704644 [0,2,0,0,0,0|2,0,0]=4 3532 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,2,0,0,0,0|1,0,1]=4 3533 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,2,0,0,0,0|1,0,0]=3 3534 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,2,0,0,0,0|1,0,0]=3 3535 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,2,0,0,0,0|2,0,0]=4 3536 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,2,0,0,0,0|2,0,0]=4 3537 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,2,0,0,0,0|2,0,0]=4 3538 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,2,0,0,0,0|2,0,0]=4 3539 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [0,2,0,0,0,0|2,0,0]=4 3540 B9R1.8 CCNC1C=CCCC1 2230a_100015525214_100000751183 [0,2,0,0,0,0|1,0,1]=4 3541 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [0,2,0,0,0,0|1,0,0]=3 3542 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [0,2,0,0,0,0|1,0,0]=3 3543 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [0,2,0,0,0,0|1,0,0]=3 3544 B9R1.8 CCNC1CCCOC1 2230a_100000719290_100000210202 [0,2,0,0,0,0|2,0,0]=4 3545 B9R1.8 CCNC1CCCOC1 270004a_100015525214_100000753404 [0,2,0,0,0,0|2,0,0]=4 3546 B9R1.8 CCNC1CCCOC1 34a_100000719290_100000210202 [0,2,0,0,0,0|2,0,0]=4 3547 B9R1.8 CCNC1CCCSC1 270004a_100015525214_100000057913 [0,2,0,0,0,0|2,0,0]=4 3548 B9R1.8 CCNC1CCNCC1 270004a_100015525214_100015192401 [0,2,0,0,0,0|2,0,0]=4 3549 B9R1.8 CCNC1CCOCC1 2230a_100000741149_100000210202 [0,2,0,0,0,0|2,0,0]=4 3550 B9R1.8 CCNC1CCOCC1 270004a_100015525214_100011217826 [0,2,0,0,0,0|2,0,0]=4 3551 B9R1.8 CCNC1CCOCC1 34a_100000741149_100000210202 [0,2,0,0,0,0|2,0,0]=4 3552 B9R1.8 CCNC1CCSCC1 2230a_100000748639_100000210202 [0,2,0,0,0,0|2,0,0]=4 3553 B9R1.8 CCNC1CCSCC1 270004a_100015525214_100000203788 [0,2,0,0,0,0|2,0,0]=4 3554 B9R1.8 CCNC1CCSCC1 34a_100000748639_100000210202 [0,2,0,0,0,0|2,0,0]=4 3555 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [0,2,0,0,0,0|1,0,1]=4 3556 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [0,2,0,0,0,0|1,0,0]=3 3557 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [0,2,0,0,0,0|1,0,0]=3 3558 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [0,2,0,0,0,0|1,0,0]=3 3559 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [0,2,0,0,0,0|1,0,0]=3 3560 B9R1.8 CCOC1CCCOC1 34a_100000754041_100000210202 [0,2,0,0,0,0|2,0,0]=4 3561 B9R1.8 CCOC1CCCOC1 34a_100121572206_100000693364 [0,2,0,0,0,0|2,0,0]=4 3562 B9R1.8 CCOC1CCCSC1 7a_100015962668_100000210202 [0,2,0,0,0,0|2,0,0]=4 3563 B9R1.8 CCOC1CCOCC1 34a_100000744328_100000210202 [0,2,0,0,0,0|2,0,0]=4 3564 B9R1.8 CCOC1CCSCC1 34a_100000731022_100000210202 [0,2,0,0,0,0|2,0,0]=4 3565 B9R1.8 CCOC1CCSCC1 34a_100121572206_100000069128 [0,2,0,0,0,0|2,0,0]=4 3566 B9R1.8 CCOC1CCSCC1 7a_100000731022_100000210202 [0,2,0,0,0,0|2,0,0]=4 3567 B9R1.8 CCSC1C=CCCC1 62a_100000210202_100000751183 [0,2,0,0,0,0|1,0,1]=4 3568 B9R1.8 CCSC1C=CCCC1 62a_100000751183_100000210202 [0,2,0,0,0,0|1,0,1]=4 3569 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [0,2,0,0,0,0|1,0,0]=3 3570 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [0,2,0,0,0,0|1,0,0]=3 3571 B9R1.8 CCSC1CCCOC1 62a_100000210202_100000693364 [0,2,0,0,0,0|2,0,0]=4 3572 B9R1.8 CCSC1CCOCC1 62a_100000210202_100011324220 [0,2,0,0,0,0|2,0,0]=4 3573 B9R1.8 CCSC1CCSCC1 62a_100000210202_100000069128 [0,2,0,0,0,0|2,0,0]=4 3574 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [0,2,0,0,0,0|1,0,0]=3 3575 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [0,2,0,0,0,0|1,0,0]=3 3576 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [0,2,0,0,0,0|1,0,0]=3 3577 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [0,2,0,0,0,0|1,0,0]=3 3578 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [0,2,0,0,0,0|1,0,0]=3 3579 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [0,2,0,0,0,0|1,0,0]=3 3580 B9R1.8 CNCC1CCCCO1 2230a_100000174945_200000210301 [0,2,0,0,0,0|1,0,0]=3 3581 B9R1.8 CNCC1CCCCO1 2230a_106832991635_100000211543 [0,2,0,0,0,0|1,0,0]=3 3582 B9R1.8 CNCC1CCCCO1 34a_100000174945_200000210301 [0,2,0,0,0,0|1,0,0]=3 3583 B9R1.8 CNCC1CCCCO1 34a_100102657272_100000211543 [0,2,0,0,0,0|1,0,0]=3 3584 B9R1.8 CNCC1CCCCO1 7a_106832991635_100000211543 [0,2,0,0,0,0|1,0,0]=3 3585 B9R1.8 CNCC1CCCOC1 2230a_100000720124_200000210301 [0,2,0,0,0,0|2,0,0]=4 3586 B9R1.8 CNCC1CCCOC1 2230a_106832991635_100000741521 [0,2,0,0,0,0|2,0,0]=4 3587 B9R1.8 CNCC1CCCOC1 34a_100000720124_200000210301 [0,2,0,0,0,0|2,0,0]=4 3588 B9R1.8 CNCC1CCCOC1 34a_100102657272_100000741521 [0,2,0,0,0,0|2,0,0]=4 3589 B9R1.8 CNCC1CCCOC1 7a_106832991635_100000741521 [0,2,0,0,0,0|2,0,0]=4 3590 B9R1.8 CNCC1CCOCC1 2230a_100000746373_200000210301 [0,2,0,0,0,0|2,0,0]=4 3591 B9R1.8 CNCC1CCOCC1 2230a_106832991635_100000754603 [0,2,0,0,0,0|2,0,0]=4 3592 B9R1.8 CNCC1CCOCC1 269862a_106832991636_100000749017 [0,2,0,0,0,0|2,0,0]=4 3593 B9R1.8 CNCC1CCOCC1 34a_100000746373_200000210301 [0,2,0,0,0,0|2,0,0]=4 3594 B9R1.8 CNCC1CCOCC1 34a_100102657272_100000754603 [0,2,0,0,0,0|2,0,0]=4 3595 B9R1.8 CNCC1CCOCC1 7a_106832991635_100000754603 [0,2,0,0,0,0|2,0,0]=4 3596 B9R1.8 CNCC1CCSCC1 2230a_100015188806_200000210301 [0,2,0,0,0,0|2,0,0]=4 3597 B9R1.8 CNCC1CCSCC1 269862a_106832991636_100000067145 [0,2,0,0,0,0|2,0,0]=4 3598 B9R1.8 CNCC1CCSCC1 270004a_106832991635_100000067145 [0,2,0,0,0,0|2,0,0]=4 3599 B9R1.8 CNCC1CCSCC1 34a_100015188806_200000210301 [0,2,0,0,0,0|2,0,0]=4 3600 B9R1.8 CNC[C@H]1COCCO1 2230a_100010981119_200000210301 [0,2,0,0,0,0|2,0,0]=4 3601 B9R1.8 CNC[C@H]1COCCO1 34a_100010981119_200000210301 [0,2,0,0,0,0|2,0,0]=4 3602 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [0,2,0,0,0,0|1,0,0]=3 3603 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [0,2,0,0,0,0|1,0,0]=3 3604 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [0,2,0,0,0,0|1,0,0]=3 3605 B9R1.8 COCC1CCCCN1 34a_100000210821_200000210301 [0,2,0,0,0,0|0,0,0]=2 3606 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [0,2,0,0,0,0|1,0,0]=3 3607 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [0,2,0,0,0,0|1,0,0]=3 3608 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [0,2,0,0,0,0|1,0,0]=3 3609 B9R1.8 COCC1CCCNC1 34a_100000211344_200000210301 [0,2,0,0,0,0|2,0,0]=4 3610 B9R1.8 COCC1CCCOC1 34a_100000741520_200000210301 [0,2,0,0,0,0|2,0,0]=4 3611 B9R1.8 COCC1CCCOC1 34a_100138415774_100000741521 [0,2,0,0,0,0|2,0,0]=4 3612 B9R1.8 COCC1CCNCC1 34a_100000738675_200000210301 [0,2,0,0,0,0|2,0,0]=4 3613 B9R1.8 COCC1CCOCC1 34a_100000749013_200000210301 [0,2,0,0,0,0|2,0,0]=4 3614 B9R1.8 COCC1CCOCC1 34a_100138415774_100000754603 [0,2,0,0,0,0|2,0,0]=4 3615 B9R1.8 COCC1CCSCC1 34a_100000070558_200000210301 [0,2,0,0,0,0|2,0,0]=4 3616 B9R1.8 COCC1CCSCC1 7a_100000070558_200000210301 [0,2,0,0,0,0|2,0,0]=4 3617 B9R1.8 COC[C@@H]1CNCCO1 34a_100015189573_200000210301 [0,2,0,0,0,0|2,0,0]=4 3618 B9R1.8 COC[C@@H]1COCCN1 34a_100000717676_200000210301 [0,2,0,0,0,0|1,0,0]=3 3619 B9R1.8 COC[C@H]1COCCO1 34a_100009875890_200000210301 [0,2,0,0,0,0|2,0,0]=4 3620 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [0,2,0,0,0,0|1,0,0]=3 3621 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [0,2,0,0,0,0|1,0,0]=3 3622 B9R1.8 CSCC1CCCCO1 62a_100000211543_200000210301 [0,2,0,0,0,0|1,0,0]=3 3623 B9R1.8 CSCC1CCCCO1 62a_200000210301_100000211543 [0,2,0,0,0,0|1,0,0]=3 3624 B9R1.8 CSCC1CCCOC1 62a_100000741521_200000210301 [0,2,0,0,0,0|2,0,0]=4 3625 B9R1.8 CSCC1CCCOC1 62a_200000210301_100000741521 [0,2,0,0,0,0|2,0,0]=4 3626 B9R1.8 CSCC1CCOCC1 62a_100000754603_200000210301 [0,2,0,0,0,0|2,0,0]=4 3627 B9R1.8 CSCC1CCOCC1 62a_200000210301_100000749018 [0,2,0,0,0,0|2,0,0]=4 3628 B9R1.8 FCNC1CCCCC1 34a_100000182618_100015361967 [0,2,0,0,0,0|1,0,0]=3 3629 B9R1.8 FCNC1CCCOC1 34a_100000719290_100015361967 [0,2,0,0,0,0|2,0,0]=4 3630 B9R1.8 FCNC1CCOCC1 34a_100000741149_100015361967 [0,2,0,0,0,0|2,0,0]=4 3631 B9R1.8 FCNC1CCSCC1 34a_100000748639_100015361967 [0,2,0,0,0,0|2,0,0]=4 3632 B9R1.8 FCOC1C=CCCC1 34a_100011215024_100015361967 [0,2,0,0,0,0|1,0,1]=4 3633 B9R1.8 FCOC1CCCCC1 34a_100000210231_100015361967 [0,2,0,0,0,0|1,0,0]=3 3634 B9R1.8 FCOC1CCCCC1 7a_100000210231_100015361967 [0,2,0,0,0,0|1,0,0]=3 3635 B9R1.8 FCOC1CCCCO1 34a_100000033831_100015361967 [0,2,0,0,0,0|1,0,0]=3 3636 B9R1.8 FCOC1CCCOC1 34a_100000754041_100015361967 [0,2,0,0,0,0|2,0,0]=4 3637 B9R1.8 FCOC1CCCSC1 7a_100015962668_100015361967 [0,2,0,0,0,0|2,0,0]=4 3638 B9R1.8 FCOC1CCOCC1 34a_100000744328_100015361967 [0,2,0,0,0,0|2,0,0]=4 3639 B9R1.8 FCOC1CCSCC1 34a_100000731022_100015361967 [0,2,0,0,0,0|2,0,0]=4 3640 B9R1.8 FCOC1CCSCC1 7a_100000731022_100015361967 [0,2,0,0,0,0|2,0,0]=4 3641 B9R1.8 FCSC1C=CCCC1 62a_100000751183_100015361967 [0,2,0,0,0,0|1,0,1]=4 3642 B9R1.8 FCSC1C=CCCC1 62a_100015361967_100000751183 [0,2,0,0,0,0|1,0,1]=4 3643 B9R1.8 FCSC1CCCCC1 62a_100000210327_100015361967 [0,2,0,0,0,0|1,0,0]=3 3644 B9R1.8 FCSC1CCCCC1 62a_100015361967_100000210327 [0,2,0,0,0,0|1,0,0]=3 3645 B9R1.8 FCSC1CCCOC1 62a_100015361967_100000693364 [0,2,0,0,0,0|2,0,0]=4 3646 B9R1.8 FCSC1CCOCC1 62a_100015361967_100011324220 [0,2,0,0,0,0|2,0,0]=4 3647 B9R1.8 FCSC1CCSCC1 62a_100015361967_100000069128 [0,2,0,0,0,0|2,0,0]=4 3648 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [0,2,0,0,0,0|1,0,0]=3 3649 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [0,2,0,0,0,0|1,0,0]=3 3650 B9R1.8 [13CH3]NCC1CCCCO1 2230a_100000174945_200025704644 [0,2,0,0,0,0|1,0,0]=3 3651 B9R1.8 [13CH3]NCC1CCCCO1 34a_100000174945_200025704644 [0,2,0,0,0,0|1,0,0]=3 3652 B9R1.8 [13CH3]NCC1CCCOC1 2230a_100000720124_200025704644 [0,2,0,0,0,0|2,0,0]=4 3653 B9R1.8 [13CH3]NCC1CCCOC1 34a_100000720124_200025704644 [0,2,0,0,0,0|2,0,0]=4 3654 B9R1.8 [13CH3]NCC1CCOCC1 2230a_100000746373_200025704644 [0,2,0,0,0,0|2,0,0]=4 3655 B9R1.8 [13CH3]NCC1CCOCC1 34a_100000746373_200025704644 [0,2,0,0,0,0|2,0,0]=4 3656 B9R1.8 [13CH3]NCC1CCSCC1 2230a_100015188806_200025704644 [0,2,0,0,0,0|2,0,0]=4 3657 B9R1.8 [13CH3]NCC1CCSCC1 34a_100015188806_200025704644 [0,2,0,0,0,0|2,0,0]=4 3658 B9R1.8 [13CH3]NC[C@H]1COCCO1 2230a_100010981119_200025704644 [0,2,0,0,0,0|2,0,0]=4 3659 B9R1.8 [13CH3]NC[C@H]1COCCO1 34a_100010981119_200025704644 [0,2,0,0,0,0|2,0,0]=4 3660 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [0,2,0,0,0,0|1,0,0]=3 3661 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [0,2,0,0,0,0|1,0,0]=3 3662 B9R1.8 [13CH3]OCC1CCCCN1 34a_100000210821_200025704644 [0,2,0,0,0,0|0,0,0]=2 3663 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [0,2,0,0,0,0|1,0,0]=3 3664 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [0,2,0,0,0,0|1,0,0]=3 3665 B9R1.8 [13CH3]OCC1CCCNC1 34a_100000211344_200025704644 [0,2,0,0,0,0|2,0,0]=4 3666 B9R1.8 [13CH3]OCC1CCCOC1 34a_100000741520_200025704644 [0,2,0,0,0,0|2,0,0]=4 3667 B9R1.8 [13CH3]OCC1CCNCC1 34a_100000738675_200025704644 [0,2,0,0,0,0|2,0,0]=4 3668 B9R1.8 [13CH3]OCC1CCOCC1 34a_100000749013_200025704644 [0,2,0,0,0,0|2,0,0]=4 3669 B9R1.8 [13CH3]OCC1CCSCC1 34a_100000070558_200025704644 [0,2,0,0,0,0|2,0,0]=4 3670 B9R1.8 [13CH3]OCC1CCSCC1 7a_100000070558_200025704644 [0,2,0,0,0,0|2,0,0]=4 3671 B9R1.8 [13CH3]OC[C@@H]1CNCCO1 34a_100015189573_200025704644 [0,2,0,0,0,0|2,0,0]=4 3672 B9R1.8 [13CH3]OC[C@@H]1COCCN1 34a_100000717676_200025704644 [0,2,0,0,0,0|1,0,0]=3 3673 B9R1.8 [13CH3]OC[C@H]1COCCO1 34a_100009875890_200025704644 [0,2,0,0,0,0|2,0,0]=4 3674 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [0,2,0,0,0,0|1,0,0]=3 3675 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [0,2,0,0,0,0|1,0,0]=3 3676 B9R1.8 [13CH3]SCC1CCCCO1 62a_100000211543_200025704644 [0,2,0,0,0,0|1,0,0]=3 3677 B9R1.8 [13CH3]SCC1CCCCO1 62a_200025704644_100000211543 [0,2,0,0,0,0|1,0,0]=3 3678 B9R1.8 [13CH3]SCC1CCCOC1 62a_100000741521_200025704644 [0,2,0,0,0,0|2,0,0]=4 3679 B9R1.8 [13CH3]SCC1CCCOC1 62a_200025704644_100000741521 [0,2,0,0,0,0|2,0,0]=4 3680 B9R1.8 [13CH3]SCC1CCOCC1 62a_100000754603_200025704644 [0,2,0,0,0,0|2,0,0]=4 3681 B9R1.8 [13CH3]SCC1CCOCC1 62a_200025704644_100000749018 [0,2,0,0,0,0|2,0,0]=4 3682 B9R1.15 C#CC1CCCCN1C 2230a_200020621307_200000210301 [0,2,0,0,0,0|0,0,1]=3 3683 B9R1.15 C#CC1CCCCN1C 269982a_200020621307_200000210301 [0,2,0,0,0,0|0,0,1]=3 3684 B9R1.15 C#CC1CCCCN1C 34a_200020621307_200000210301 [0,2,0,0,0,0|0,0,1]=3 3685 B9R1.15 C#CC1CCCCN1[13CH3] 2230a_200020621307_200025704644 [0,2,0,0,0,0|0,0,1]=3 3686 B9R1.15 C#CC1CCCCN1[13CH3] 269982a_200020621307_200025704644 [0,2,0,0,0,0|0,0,1]=3 3687 B9R1.15 C#CC1CCCCN1[13CH3] 34a_200020621307_200025704644 [0,2,0,0,0,0|0,0,1]=3 3688 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [0,2,0,0,0,0|1,0,0]=3 3689 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [0,2,0,0,0,0|1,0,0]=3 3690 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [0,2,0,0,0,0|1,0,0]=3 3691 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [0,2,0,0,0,0|1,0,0]=3 3692 B9R1.15 CC1CCCCN1CF 269982a_100000211376_100015361967 [0,2,0,0,0,0|0,0,0]=2 3693 B9R1.15 CC1CCCCN1CF 34a_100000211376_100015361967 [0,2,0,0,0,0|0,0,0]=2 3694 B9R1.15 CC1CCNCC1O[13CH3] 34a_100000696640_200025704644 [0,2,0,0,0,0|2,0,0]=4 3695 B9R1.15 CC1CNCCC1O[13CH3] 34a_100011998114_200025704644 [0,2,0,0,0,0|2,0,0]=4 3696 B9R1.15 CCC1CCCCN1C 2230a_100000210034_200000210301 [0,2,0,0,0,0|0,0,0]=2 3697 B9R1.15 CCC1CCCCN1C 269982a_100000210034_200000210301 [0,2,0,0,0,0|0,0,0]=2 3698 B9R1.15 CCC1CCCCN1C 34a_100000210034_200000210301 [0,2,0,0,0,0|0,0,0]=2 3699 B9R1.15 CCC1CCCCN1[13CH3] 2230a_100000210034_200025704644 [0,2,0,0,0,0|0,0,0]=2 3700 B9R1.15 CCC1CCCCN1[13CH3] 269982a_100000210034_200025704644 [0,2,0,0,0,0|0,0,0]=2 3701 B9R1.15 CCC1CCCCN1[13CH3] 34a_100000210034_200025704644 [0,2,0,0,0,0|0,0,0]=2 3702 B9R1.15 CCN1CCCCC1C 2230a_100000211376_100000210202 [0,2,0,0,0,0|0,0,0]=2 3703 B9R1.15 CCN1CCCCC1C 269982a_100000211376_100000204670 [0,2,0,0,0,0|0,0,0]=2 3704 B9R1.15 CCN1CCCCC1C 34a_100000211376_100000210202 [0,2,0,0,0,0|0,0,0]=2 3705 B9R1.15 CCN1CCOC[C@@H]1C 2230a_100009815349_100000210202 [0,2,0,0,0,0|1,0,0]=3 3706 B9R1.15 CCN1CCOC[C@@H]1C 269982a_100009815349_100000204670 [0,2,0,0,0,0|1,0,0]=3 3707 B9R1.15 CCN1CCOC[C@@H]1C 34a_100009815349_100000210202 [0,2,0,0,0,0|1,0,0]=3 3708 B9R1.15 CC[C@H]1COCCN1C 2230a_100016988097_200000210301 [0,2,0,0,0,0|1,0,0]=3 3709 B9R1.15 CC[C@H]1COCCN1C 269982a_100016988097_200000210301 [0,2,0,0,0,0|1,0,0]=3 3710 B9R1.15 CC[C@H]1COCCN1C 34a_100016988097_200000210301 [0,2,0,0,0,0|1,0,0]=3 3711 B9R1.15 CC[C@H]1COCCN1[13CH3] 2230a_100016988097_200025704644 [0,2,0,0,0,0|1,0,0]=3 3712 B9R1.15 CC[C@H]1COCCN1[13CH3] 269982a_100016988097_200025704644 [0,2,0,0,0,0|1,0,0]=3 3713 B9R1.15 CC[C@H]1COCCN1[13CH3] 34a_100016988097_200025704644 [0,2,0,0,0,0|1,0,0]=3 3714 B9R1.15 CN1CCCCC1C#N 34a_100016989756_200000210301 [0,2,0,0,0,0|0,0,1]=3 3715 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [0,2,0,0,0,0|0,0,0]=2 3716 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [0,2,0,0,0,0|0,0,0]=2 3717 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [0,2,0,0,0,0|0,0,0]=2 3718 B9R1.15 CN1CCOC[C@H]1CO 2230a_100000717676_200000210301 [0,2,0,0,0,0|1,0,0]=3 3719 B9R1.15 CN1CCOC[C@H]1CO 269982a_100000717676_200000210301 [0,2,0,0,0,0|1,0,0]=3 3720 B9R1.15 CN1CCOC[C@H]1CO 34a_100000717676_200000210301 [0,2,0,0,0,0|1,0,0]=3 3721 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [0,2,0,0,0,0|1,0,0]=3 3722 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [0,2,0,0,0,0|1,0,0]=3 3723 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [0,2,0,0,0,0|1,0,0]=3 3724 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [0,2,0,0,0,0|1,0,0]=3 3725 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [0,2,0,0,0,0|1,0,0]=3 3726 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [0,2,0,0,0,0|1,0,0]=3 3727 B9R1.15 CNC1CCCCC1F 34a_100102657272_100015423560 [0,2,0,0,0,0|1,0,0]=3 3728 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [0,2,0,0,0,0|1,0,0]=3 3729 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [0,2,0,0,0,0|1,0,1]=4 3730 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [0,2,0,0,0,0|1,0,1]=4 3731 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [0,2,0,0,0,0|1,0,1]=4 3732 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [0,2,0,0,0,0|1,0,1]=4 3733 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [0,2,0,0,0,0|1,0,1]=4 3734 B9R1.15 CNC1CCNCC1C 270004a_106832991635_100000703950 [0,2,0,0,0,0|2,0,0]=4 3735 B9R1.15 CNC1CCOCC1C 270004a_106832991635_100000755695 [0,2,0,0,0,0|2,0,0]=4 3736 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [0,2,0,0,0,0|2,0,0]=4 3737 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [0,2,0,0,0,0|2,0,0]=4 3738 B9R1.15 CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200000210301 [0,2,0,0,0,0|1,0,0]=3 3739 B9R1.15 CN[C@@H]1CCCC[C@H]1F 34a_100015195156_200000210301 [0,2,0,0,0,0|1,0,0]=3 3740 B9R1.15 CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200000210301 [0,2,0,0,0,0|2,0,0]=4 3741 B9R1.15 CN[C@H]1CCOC[C@@H]1F 2230a_100016994078_200000210301 [0,2,0,0,0,0|2,0,0]=4 3742 B9R1.15 CN[C@H]1CCOC[C@@H]1F 34a_100016994078_200000210301 [0,2,0,0,0,0|2,0,0]=4 3743 B9R1.15 CN[C@H]1COCC[C@@H]1O 2230a_100015739063_200000210301 [0,2,0,0,0,0|2,0,0]=4 3744 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [0,2,0,0,0,0|1,0,0]=3 3745 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [0,2,0,0,0,0|1,0,0]=3 3746 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [0,2,0,0,0,0|1,0,0]=3 3747 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [0,2,0,0,0,0|1,0,0]=3 3748 B9R1.15 COC1CCCCC1Cl 34a_100000038908_200000210301 [0,2,0,0,0,0|1,0,0]=3 3749 B9R1.15 COC1CCCCC1Cl 7a_100000038908_200000210301 [0,2,0,0,0,0|1,0,0]=3 3750 B9R1.15 COC1CCCCC1F 34a_100138415774_100015423560 [0,2,0,0,0,0|1,0,0]=3 3751 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [0,2,0,0,0,0|1,0,0]=3 3752 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [0,2,0,0,0,0|1,0,1]=4 3753 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [0,2,0,0,0,0|1,0,1]=4 3754 B9R1.15 COC1CCNCC1C 34a_100011998114_200000210301 [0,2,0,0,0,0|2,0,0]=4 3755 B9R1.15 COC1CNCCC1C 34a_100000696640_200000210301 [0,2,0,0,0,0|2,0,0]=4 3756 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [0,2,0,0,0,0|2,0,0]=4 3757 B9R1.15 CO[C@@H]1CCCC[C@H]1F 34a_100009816020_200000210301 [0,2,0,0,0,0|1,0,0]=3 3758 B9R1.15 CO[C@@H]1CCCC[C@H]1F 7a_100009816020_200000210301 [0,2,0,0,0,0|1,0,0]=3 3759 B9R1.15 CO[C@@H]1CCNC[C@@H]1F 34a_200016994291_200000210301 [0,2,0,0,0,0|2,0,0]=4 3760 B9R1.15 CO[C@H]1CCCC[C@H]1N 34a_100015191688_200000210301 [0,2,0,0,0,0|1,0,0]=3 3761 B9R1.15 CO[C@H]1CCOC[C@@H]1N 34a_100015739063_200000210301 [0,2,0,0,0,0|2,0,0]=4 3762 B9R1.15 CO[C@H]1COCC[C@H]1N 34a_100016994285_200000210301 [0,2,0,0,0,0|2,0,0]=4 3763 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [0,2,0,0,0,0|1,0,0]=3 3764 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [0,2,0,0,0,0|1,0,0]=3 3765 B9R1.15 CSC1CCCCC1F 62a_100015423560_200000210301 [0,2,0,0,0,0|1,0,0]=3 3766 B9R1.15 CSC1CCCCC1F 62a_200000210301_100015423560 [0,2,0,0,0,0|1,0,0]=3 3767 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [0,2,0,0,0,0|1,0,0]=3 3768 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [0,2,0,0,0,0|1,0,0]=3 3769 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [0,2,0,0,0,0|1,0,1]=4 3770 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [0,2,0,0,0,0|1,0,1]=4 3771 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [0,2,0,0,0,0|2,0,0]=4 3772 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [0,2,0,0,0,0|2,0,0]=4 3773 B9R1.15 C[C@H]1COCCN1CF 269982a_100009815349_100015361967 [0,2,0,0,0,0|1,0,0]=3 3774 B9R1.15 C[C@H]1COCCN1CF 34a_100009815349_100015361967 [0,2,0,0,0,0|1,0,0]=3 3775 B9R1.15 [13CH3]N1CCCCC1C#N 34a_100016989756_200025704644 [0,2,0,0,0,0|0,0,1]=3 3776 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [0,2,0,0,0,0|0,0,0]=2 3777 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [0,2,0,0,0,0|0,0,0]=2 3778 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [0,2,0,0,0,0|0,0,0]=2 3779 B9R1.15 [13CH3]N1CCOC[C@H]1CO 2230a_100000717676_200025704644 [0,2,0,0,0,0|1,0,0]=3 3780 B9R1.15 [13CH3]N1CCOC[C@H]1CO 269982a_100000717676_200025704644 [0,2,0,0,0,0|1,0,0]=3 3781 B9R1.15 [13CH3]N1CCOC[C@H]1CO 34a_100000717676_200025704644 [0,2,0,0,0,0|1,0,0]=3 3782 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [0,2,0,0,0,0|1,0,1]=4 3783 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [0,2,0,0,0,0|1,0,1]=4 3784 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 2230a_100015195156_200025704644 [0,2,0,0,0,0|1,0,0]=3 3785 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 34a_100015195156_200025704644 [0,2,0,0,0,0|1,0,0]=3 3786 B9R1.15 [13CH3]N[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200025704644 [0,2,0,0,0,0|2,0,0]=4 3787 B9R1.15 [13CH3]N[C@H]1CCOC[C@@H]1F 2230a_100016994078_200025704644 [0,2,0,0,0,0|2,0,0]=4 3788 B9R1.15 [13CH3]N[C@H]1CCOC[C@@H]1F 34a_100016994078_200025704644 [0,2,0,0,0,0|2,0,0]=4 3789 B9R1.15 [13CH3]N[C@H]1COCC[C@@H]1O 2230a_100015739063_200025704644 [0,2,0,0,0,0|2,0,0]=4 3790 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [0,2,0,0,0,0|1,0,0]=3 3791 B9R1.15 [13CH3]OC1CCCCC1Cl 34a_100000038908_200025704644 [0,2,0,0,0,0|1,0,0]=3 3792 B9R1.15 [13CH3]OC1CCCCC1Cl 7a_100000038908_200025704644 [0,2,0,0,0,0|1,0,0]=3 3793 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [0,2,0,0,0,0|1,0,1]=4 3794 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 34a_100009816020_200025704644 [0,2,0,0,0,0|1,0,0]=3 3795 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 7a_100009816020_200025704644 [0,2,0,0,0,0|1,0,0]=3 3796 B9R1.15 [13CH3]O[C@@H]1CCNC[C@@H]1F 34a_200016994291_200025704644 [0,2,0,0,0,0|2,0,0]=4 3797 B9R1.15 [13CH3]O[C@H]1CCCC[C@H]1N 34a_100015191688_200025704644 [0,2,0,0,0,0|1,0,0]=3 3798 B9R1.15 [13CH3]O[C@H]1CCOC[C@@H]1N 34a_100015739063_200025704644 [0,2,0,0,0,0|2,0,0]=4 3799 B9R1.15 [13CH3]O[C@H]1COCC[C@H]1N 34a_100016994285_200025704644 [0,2,0,0,0,0|2,0,0]=4 3800 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [0,2,0,0,0,0|1,0,0]=3 3801 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [0,2,0,0,0,0|1,0,0]=3 3802 B9R1.15 [13CH3]SC1CCCCC1F 62a_100015423560_200025704644 [0,2,0,0,0,0|1,0,0]=3 3803 B9R1.15 [13CH3]SC1CCCCC1F 62a_200025704644_100015423560 [0,2,0,0,0,0|1,0,0]=3 3804 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [0,2,0,0,0,0|1,0,0]=3 3805 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [0,2,0,0,0,0|1,0,0]=3 3806 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [0,2,0,0,0,0|1,0,1]=4 3807 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [0,2,0,0,0,0|1,0,1]=4 3808 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [0,2,0,0,0,0|2,0,0]=4 3809 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [0,2,0,0,0,0|2,0,0]=4 3810 B9R1.118 CC1(CCCCC1)N[13CH3] 2230a_100000741114_200025704644 [0,2,0,0,0,0|1,0,0]=3 3811 B9R1.118 CC1(CCCCC1)N[13CH3] 34a_100000741114_200025704644 [0,2,0,0,0,0|1,0,0]=3 3812 B9R1.118 CC1(CCCCC1)O[13CH3] 34a_100011215885_200025704644 [0,2,0,0,0,0|1,0,0]=3 3813 B9R1.118 CC1(CCCCC1)O[13CH3] 7a_100011215885_200025704644 [0,2,0,0,0,0|1,0,0]=3 3814 B9R1.118 CC1(CCOCC1)N[13CH3] 2230a_100000692449_200025704644 [0,2,0,0,0,0|2,0,0]=4 3815 B9R1.118 CC1(CCOCC1)N[13CH3] 34a_100000692449_200025704644 [0,2,0,0,0,0|2,0,0]=4 3816 B9R1.118 CC1(CCOCC1)O[13CH3] 34a_100011827762_200025704644 [0,2,0,0,0,0|2,0,0]=4 3817 B9R1.118 CC1(CCOCC1)O[13CH3] 7a_100011827762_200025704644 [0,2,0,0,0,0|2,0,0]=4 3818 B9R1.118 CC1(CCSCC1)O[13CH3] 34a_200011004327_200025704644 [0,2,0,0,0,0|2,0,0]=4 3819 B9R1.118 CC1(CCSCC1)O[13CH3] 7a_200011004327_200025704644 [0,2,0,0,0,0|2,0,0]=4 3820 B9R1.118 CNC1(CCCCC1)C 2230a_100000741114_200000210301 [0,2,0,0,0,0|1,0,0]=3 3821 B9R1.118 CNC1(CCCCC1)C 34a_100000741114_200000210301 [0,2,0,0,0,0|1,0,0]=3 3822 B9R1.118 CNC1(CCOCC1)C 2230a_100000692449_200000210301 [0,2,0,0,0,0|2,0,0]=4 3823 B9R1.118 CNC1(CCOCC1)C 34a_100000692449_200000210301 [0,2,0,0,0,0|2,0,0]=4 3824 B9R1.118 COC1(CCCCC1)C 34a_100011215885_200000210301 [0,2,0,0,0,0|1,0,0]=3 3825 B9R1.118 COC1(CCCCC1)C 7a_100011215885_200000210301 [0,2,0,0,0,0|1,0,0]=3 3826 B9R1.118 COC1(CCOCC1)C 34a_100011827762_200000210301 [0,2,0,0,0,0|2,0,0]=4 3827 B9R1.118 COC1(CCOCC1)C 7a_100011827762_200000210301 [0,2,0,0,0,0|2,0,0]=4 3828 B9R1.118 COC1(CCSCC1)C 34a_200011004327_200000210301 [0,2,0,0,0,0|2,0,0]=4 3829 B9R1.118 COC1(CCSCC1)C 7a_200011004327_200000210301 [0,2,0,0,0,0|2,0,0]=4 3830 B9R1.10 CC1(CCN(CC1)[13CH3])C 2230a_100000750138_200025704644 [0,2,0,0,0,0|2,0,0]=4 3831 B9R1.10 CC1(CCN(CC1)[13CH3])C 269982a_100000750138_200025704644 [0,2,0,0,0,0|2,0,0]=4 3832 B9R1.10 CC1(CCN(CC1)[13CH3])O 2230a_100000690209_200025704644 [0,2,0,0,0,0|2,0,0]=4 3833 B9R1.10 CC1(CCN(CC1)[13CH3])O 269982a_100000690209_200025704644 [0,2,0,0,0,0|2,0,0]=4 3834 B9R1.10 CN1CCC(CC1)(C)C 2230a_100000750138_200000210301 [0,2,0,0,0,0|2,0,0]=4 3835 B9R1.10 CN1CCC(CC1)(C)C 269982a_100000750138_200000210301 [0,2,0,0,0,0|2,0,0]=4 3836 B9R1.10 CN1CCC(CC1)(C)O 2230a_100000690209_200000210301 [0,2,0,0,0,0|2,0,0]=4 3837 B9R1.10 CN1CCC(CC1)(C)O 269982a_100000690209_200000210301 [0,2,0,0,0,0|2,0,0]=4 3838 B9R1.10 CN1CCC(CC1)(F)F 2230a_100000724815_200000210301 [0,2,0,0,0,0|2,0,0]=4 3839 B9R1.10 CN1CCC(CC1)(F)F 269982a_100000724815_200000210301 [0,2,0,0,0,0|2,0,0]=4 3840 B9R1.10 CN1CCC(CC1)(F)F 34a_100000724815_200000210301 [0,2,0,0,0,0|2,0,0]=4 3841 B9R1.10 CN1CCC(CC1)(O)O 269982a_100016987284_200000210301 [0,2,0,0,0,0|2,0,0]=4 3842 B9R1.10 [13CH3]N1CCC(CC1)(F)F 2230a_100000724815_200025704644 [0,2,0,0,0,0|2,0,0]=4 3843 B9R1.10 [13CH3]N1CCC(CC1)(F)F 269982a_100000724815_200025704644 [0,2,0,0,0,0|2,0,0]=4 3844 B9R1.10 [13CH3]N1CCC(CC1)(F)F 34a_100000724815_200025704644 [0,2,0,0,0,0|2,0,0]=4 3845 B9R1.10 [13CH3]N1CCC(CC1)(O)O 269982a_100016987284_200025704644 [0,2,0,0,0,0|2,0,0]=4 3846 B9R1.69 CC1CCN(CC1O)C 2230a_100000696640_200000210301 [0,2,0,0,0,0|2,0,0]=4 3847 B9R1.69 CC1CCN(CC1O)C 269982a_100000696640_200000210301 [0,2,0,0,0,0|2,0,0]=4 3848 B9R1.69 CC1CCN(CC1O)[13CH3] 2230a_100000696640_200025704644 [0,2,0,0,0,0|2,0,0]=4 3849 B9R1.69 CC1CCN(CC1O)[13CH3] 269982a_100000696640_200025704644 [0,2,0,0,0,0|2,0,0]=4 3850 B9R1.69 CC1CN(CCC1O)C 2230a_100011998114_200000210301 [0,2,0,0,0,0|2,0,0]=4 3851 B9R1.69 CC1CN(CCC1O)C 269982a_100011998114_200000210301 [0,2,0,0,0,0|2,0,0]=4 3852 B9R1.69 CC1CN(CCC1O)[13CH3] 2230a_100011998114_200025704644 [0,2,0,0,0,0|2,0,0]=4 3853 B9R1.69 CC1CN(CCC1O)[13CH3] 269982a_100011998114_200025704644 [0,2,0,0,0,0|2,0,0]=4 3854 B9R1.69 CN1CC[C@H]([C@H](C1)F)O 2230a_200016994291_200000210301 [0,2,0,0,0,0|2,0,0]=4 3855 B9R1.69 CN1CC[C@H]([C@H](C1)F)O 269982a_200016994291_200000210301 [0,2,0,0,0,0|2,0,0]=4 3856 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200000210301 [0,2,0,0,0,0|2,0,0]=4 3857 B9R1.69 CN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200000210301 [0,2,0,0,0,0|2,0,0]=4 3858 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 2230a_100016991869_200000210301 [0,2,0,0,0,0|1,0,0]=3 3859 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 269982a_100016991869_200000210301 [0,2,0,0,0,0|1,0,0]=3 3860 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)C 34a_100016991869_200000210301 [0,2,0,0,0,0|1,0,0]=3 3861 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 2230a_100016991869_200025704644 [0,2,0,0,0,0|1,0,0]=3 3862 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 269982a_100016991869_200025704644 [0,2,0,0,0,0|1,0,0]=3 3863 B9R1.69 C[C@@H]1CN([C@@H](CO1)C)[13CH3] 34a_100016991869_200025704644 [0,2,0,0,0,0|1,0,0]=3 3864 B9R1.69 C[C@H]1CN(CCN1C)C 2230a_100012002466_200000210301 [0,2,0,0,0,0|1,0,0]=3 3865 B9R1.69 C[C@H]1CN(CCN1C)C 2230a_100020603432_200000210301 [0,2,0,0,0,0|1,0,0]=3 3866 B9R1.69 C[C@H]1CN(CCN1C)C 269982a_100012002466_200000210301 [0,2,0,0,0,0|1,0,0]=3 3867 B9R1.69 C[C@H]1CN(CCN1C)C 269982a_100020603432_200000210301 [0,2,0,0,0,0|1,0,0]=3 3868 B9R1.69 C[C@H]1CN(CCN1C)[13CH3] 2230a_100020603432_200025704644 [0,2,0,0,0,0|1,0,0]=3 3869 B9R1.69 C[C@H]1CN(CCN1C)[13CH3] 269982a_100020603432_200025704644 [0,2,0,0,0,0|1,0,0]=3 3870 B9R1.69 C[C@H]1CN(CCN1[13CH3])C 2230a_100012002466_200025704644 [0,2,0,0,0,0|1,0,0]=3 3871 B9R1.69 C[C@H]1CN(CCN1[13CH3])C 269982a_100012002466_200025704644 [0,2,0,0,0,0|1,0,0]=3 3872 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)F)O 2230a_200016994291_200025704644 [0,2,0,0,0,0|2,0,0]=4 3873 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)F)O 269982a_200016994291_200025704644 [0,2,0,0,0,0|2,0,0]=4 3874 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 2230a_100000690696_200025704644 [0,2,0,0,0,0|2,0,0]=4 3875 B9R1.69 [13CH3]N1CC[C@H]([C@H](C1)O)O 269982a_100000690696_200025704644 [0,2,0,0,0,0|2,0,0]=4 3876 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,2,0,0,0,0|1,0,1]=4 3877 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,2,0,0,0,0|1,0,1]=4 3878 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,2,0,0,0,0|1,0,1]=4 3879 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,2,0,0,0,0|1,0,1]=4 3880 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,2,0,0,0,0|1,0,1]=4 3881 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,2,0,0,0,0|1,0,1]=4 3882 B9R1.3 CC1CCCC(N1C)C 2230a_100000210447_200000210301 [0,2,0,0,0,0|0,0,0]=2 3883 B9R1.3 CC1CCCC(N1C)C 269982a_100000210447_200000210301 [0,2,0,0,0,0|0,0,0]=2 3884 B9R1.3 CC1CCCC(N1C)C 34a_100000210447_200000210301 [0,2,0,0,0,0|0,0,0]=2 3885 B9R1.3 CC1CCCC(N1[13CH3])C 2230a_100000210447_200025704644 [0,2,0,0,0,0|0,0,0]=2 3886 B9R1.3 CC1CCCC(N1[13CH3])C 269982a_100000210447_200025704644 [0,2,0,0,0,0|0,0,0]=2 3887 B9R1.3 CC1CCCC(N1[13CH3])C 34a_100000210447_200025704644 [0,2,0,0,0,0|0,0,0]=2 3888 B9R1.3 C[C@@H]1COC[C@@H](N1C)C 2230a_100103153222_200000210301 [0,2,0,0,0,0|1,0,0]=3 3889 B9R1.3 C[C@@H]1COC[C@@H](N1C)C 269982a_100103153222_200000210301 [0,2,0,0,0,0|1,0,0]=3 3890 B9R1.3 C[C@@H]1COC[C@@H](N1C)C 34a_100103153222_200000210301 [0,2,0,0,0,0|1,0,0]=3 3891 B9R1.3 C[C@@H]1COC[C@@H](N1[13CH3])C 2230a_100103153222_200025704644 [0,2,0,0,0,0|1,0,0]=3 3892 B9R1.3 C[C@@H]1COC[C@@H](N1[13CH3])C 269982a_100103153222_200025704644 [0,2,0,0,0,0|1,0,0]=3 3893 B9R1.3 C[C@@H]1COC[C@@H](N1[13CH3])C 34a_100103153222_200025704644 [0,2,0,0,0,0|1,0,0]=3 3894 B9R1.34 CC1CC(CN(C1)C)C 2230a_100000210448_200000210301 [0,2,0,0,0,0|2,0,0]=4 3895 B9R1.34 CC1CC(CN(C1)C)C 269982a_100000210448_200000210301 [0,2,0,0,0,0|2,0,0]=4 3896 B9R1.34 CC1CC(CN(C1)C)C 34a_100000210448_200000210301 [0,2,0,0,0,0|2,0,0]=4 3897 B9R1.34 CC1CC(CN(C1)[13CH3])C 2230a_100000210448_200025704644 [0,2,0,0,0,0|2,0,0]=4 3898 B9R1.34 CC1CC(CN(C1)[13CH3])C 269982a_100000210448_200025704644 [0,2,0,0,0,0|2,0,0]=4 3899 B9R1.34 CC1CC(CN(C1)[13CH3])C 34a_100000210448_200025704644 [0,2,0,0,0,0|2,0,0]=4 3900 B9R1.34 CC1CN(CC(O1)C)C 2230a_100000210032_200000210301 [0,2,0,0,0,0|2,0,0]=4 3901 B9R1.34 CC1CN(CC(O1)C)C 269982a_100000210032_200000210301 [0,2,0,0,0,0|2,0,0]=4 3902 B9R1.34 CC1CN(CC(O1)C)C 34a_100000210032_200000210301 [0,2,0,0,0,0|2,0,0]=4 3903 B9R1.34 CC1CN(CC(O1)C)[13CH3] 2230a_100000210032_200025704644 [0,2,0,0,0,0|2,0,0]=4 3904 B9R1.34 CC1CN(CC(O1)C)[13CH3] 269982a_100000210032_200025704644 [0,2,0,0,0,0|2,0,0]=4 3905 B9R1.34 CC1CN(CC(O1)C)[13CH3] 34a_100000210032_200025704644 [0,2,0,0,0,0|2,0,0]=4 3906 B9R1.66 CC1(CCCN(C1)[13CH3])C 2230a_100000716857_200025704644 [0,2,0,0,0,0|2,0,0]=4 3907 B9R1.66 CC1(CCCN(C1)[13CH3])C 269982a_100000716857_200025704644 [0,2,0,0,0,0|2,0,0]=4 3908 B9R1.66 CC1(CCCN(C1)[13CH3])C 34a_100000716857_200025704644 [0,2,0,0,0,0|2,0,0]=4 3909 B9R1.66 CC1(CCCN(C1)[13CH3])O 2230a_100000695535_200025704644 [0,2,0,0,0,0|2,0,0]=4 3910 B9R1.66 CC1(CCCN(C1)[13CH3])O 269982a_100000695535_200025704644 [0,2,0,0,0,0|2,0,0]=4 3911 B9R1.66 CC1(CN(CCO1)[13CH3])C 2230a_100000738910_200025704644 [0,2,0,0,0,0|2,0,0]=4 3912 B9R1.66 CC1(CN(CCO1)[13CH3])C 269982a_100000738910_200025704644 [0,2,0,0,0,0|2,0,0]=4 3913 B9R1.66 CC1(CN(CCO1)[13CH3])C 34a_100000738910_200025704644 [0,2,0,0,0,0|2,0,0]=4 3914 B9R1.66 CN1CCCC(C1)(C)C 2230a_100000716857_200000210301 [0,2,0,0,0,0|2,0,0]=4 3915 B9R1.66 CN1CCCC(C1)(C)C 269982a_100000716857_200000210301 [0,2,0,0,0,0|2,0,0]=4 3916 B9R1.66 CN1CCCC(C1)(C)C 34a_100000716857_200000210301 [0,2,0,0,0,0|2,0,0]=4 3917 B9R1.66 CN1CCCC(C1)(C)O 2230a_100000695535_200000210301 [0,2,0,0,0,0|2,0,0]=4 3918 B9R1.66 CN1CCCC(C1)(C)O 269982a_100000695535_200000210301 [0,2,0,0,0,0|2,0,0]=4 3919 B9R1.66 CN1CCCC(C1)(F)F 2230a_100000732682_200000210301 [0,2,0,0,0,0|2,0,0]=4 3920 B9R1.66 CN1CCCC(C1)(F)F 269982a_100000732682_200000210301 [0,2,0,0,0,0|2,0,0]=4 3921 B9R1.66 CN1CCCC(C1)(F)F 34a_100000732682_200000210301 [0,2,0,0,0,0|2,0,0]=4 3922 B9R1.66 CN1CCOC(C1)(C)C 2230a_100000738910_200000210301 [0,2,0,0,0,0|2,0,0]=4 3923 B9R1.66 CN1CCOC(C1)(C)C 269982a_100000738910_200000210301 [0,2,0,0,0,0|2,0,0]=4 3924 B9R1.66 CN1CCOC(C1)(C)C 34a_100000738910_200000210301 [0,2,0,0,0,0|2,0,0]=4 3925 B9R1.66 [13CH3]N1CCCC(C1)(F)F 2230a_100000732682_200025704644 [0,2,0,0,0,0|2,0,0]=4 3926 B9R1.66 [13CH3]N1CCCC(C1)(F)F 269982a_100000732682_200025704644 [0,2,0,0,0,0|2,0,0]=4 3927 B9R1.66 [13CH3]N1CCCC(C1)(F)F 34a_100000732682_200025704644 [0,2,0,0,0,0|2,0,0]=4 3928 B9R1.40 CC1(COCCN1[13CH3])C 2230a_100000724681_200025704644 [0,2,0,0,0,0|1,0,0]=3 3929 B9R1.40 CC1(COCCN1[13CH3])C 269982a_100000724681_200025704644 [0,2,0,0,0,0|1,0,0]=3 3930 B9R1.40 CC1(COCCN1[13CH3])C 34a_100000724681_200025704644 [0,2,0,0,0,0|1,0,0]=3 3931 B9R1.40 CN1CCOCC1(C)C 2230a_100000724681_200000210301 [0,2,0,0,0,0|1,0,0]=3 3932 B9R1.40 CN1CCOCC1(C)C 269982a_100000724681_200000210301 [0,2,0,0,0,0|1,0,0]=3 3933 B9R1.40 CN1CCOCC1(C)C 34a_100000724681_200000210301 [0,2,0,0,0,0|1,0,0]=3 3934 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [0,0,1,1,0,0|2,0,0]=4 3935 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [0,0,1,1,0,0|2,0,0]=4 3936 B7R1.5 CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210202 [0,0,1,1,0,0|1,0,0]=3 3937 B7R1.5 CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210202 [0,0,1,1,0,0|1,0,0]=3 3938 B7R1.5 CCN[C@@H]1C[C@H]1F 34a_100025746932_100000210202 [0,0,1,1,0,0|1,0,0]=3 3939 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [0,0,1,1,0,0|2,0,0]=4 3940 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [0,0,1,1,0,0|2,0,0]=4 3941 B7R1.5 FCN[C@@H]1C[C@H]1F 34a_100025746932_100015361967 [0,0,1,1,0,0|2,0,0]=4 3942 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [0,0,1,1,0,0|2,0,0]=4 3943 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [0,0,1,1,0,0|0,0,0]=2 3944 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [0,0,1,1,0,0|0,0,0]=2 3945 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [0,0,1,1,0,0|0,0,0]=2 3946 B7R1.6 CCNC1COC1 2230a_100016991112_100000210202 [0,0,1,1,0,0|1,0,0]=3 3947 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [0,0,1,1,0,0|1,0,0]=3 3948 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [0,0,1,1,0,0|1,0,0]=3 3949 B7R1.6 CCOC1COC1 34a_100121572206_100009818527 [0,0,1,1,0,0|2,0,0]=4 3950 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [0,0,1,1,0,0|2,0,0]=4 3951 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [0,0,1,1,0,0|1,0,0]=3 3952 B7R1.6 CCSC1COC1 62a_100000210202_100009818527 [0,0,1,1,0,0|2,0,0]=4 3953 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [0,0,1,1,0,0|2,0,0]=4 3954 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [0,0,1,1,0,0|2,0,0]=4 3955 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [0,0,1,1,0,0|2,0,0]=4 3956 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [0,0,1,1,0,0|2,0,0]=4 3957 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [0,0,1,1,0,0|2,0,0]=4 3958 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [0,0,1,1,0,0|2,0,0]=4 3959 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [0,0,1,1,0,0|2,0,0]=4 3960 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [0,0,1,1,0,0|2,0,0]=4 3961 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [0,0,1,1,0,0|2,0,0]=4 3962 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [0,0,1,1,0,0|2,0,0]=4 3963 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [0,0,1,1,0,0|2,0,0]=4 3964 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [0,0,1,1,0,0|2,0,0]=4 3965 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [0,0,1,1,0,0|2,0,0]=4 3966 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [0,0,1,1,0,0|2,0,0]=4 3967 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [0,0,1,1,0,0|2,0,0]=4 3968 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [0,0,1,1,0,0|2,0,0]=4 3969 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [0,0,1,1,0,0|2,0,0]=4 3970 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [0,0,1,1,0,0|2,0,0]=4 3971 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [0,0,1,1,0,0|2,0,0]=4 3972 B7R1.6 FCNC1CCC1 34a_100000749019_100015361967 [0,0,1,1,0,0|1,0,0]=3 3973 B7R1.6 FCOC1CCC1 34a_100000748187_100015361967 [0,0,1,1,0,0|2,0,0]=4 3974 B7R1.6 FCSC1CCC1 62a_100015361967_100000749161 [0,0,1,1,0,0|2,0,0]=4 3975 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [0,0,1,1,0,0|2,0,0]=4 3976 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [0,0,1,1,0,0|2,0,0]=4 3977 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [0,0,1,1,0,0|2,0,0]=4 3978 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [0,0,1,1,0,0|2,0,0]=4 3979 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [0,0,1,1,0,0|2,0,0]=4 3980 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [0,0,1,1,0,0|2,0,0]=4 3981 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [0,0,1,1,0,0|2,0,0]=4 3982 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [0,0,1,1,0,0|2,0,0]=4 3983 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [0,0,1,1,0,0|2,0,0]=4 3984 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [0,0,1,1,0,0|2,0,0]=4 3985 B7R1.8 CC1CCN1CF 269982a_100000755817_100015361967 [0,0,1,1,0,0|1,0,0]=3 3986 B7R1.8 CC1CCN1CF 34a_100000755817_100015361967 [0,0,1,1,0,0|1,0,0]=3 3987 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [0,0,1,1,0,0|0,0,0]=2 3988 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [0,0,1,1,0,0|0,0,0]=2 3989 B7R1.10 C=C1CC(C1)NC 2230a_100132301982_200000210301 [0,0,1,1,0,0|0,0,2]=4 3990 B7R1.10 C=C1CC(C1)N[13CH3] 2230a_100132301982_200025704644 [0,0,1,1,0,0|0,0,2]=4 3991 B7R1.10 CCC1CN(C1)C 2230a_100015205115_200000210301 [0,0,1,1,0,0|2,0,0]=4 3992 B7R1.10 CCC1CN(C1)C 269982a_100015205115_200000210301 [0,0,1,1,0,0|2,0,0]=4 3993 B7R1.10 CCC1CN(C1)[13CH3] 2230a_100015205115_200025704644 [0,0,1,1,0,0|2,0,0]=4 3994 B7R1.10 CCC1CN(C1)[13CH3] 269982a_100015205115_200025704644 [0,0,1,1,0,0|2,0,0]=4 3995 B7R1.10 CCN1CC(C1)C 2230a_100000702820_100000210202 [0,0,1,1,0,0|2,0,0]=4 3996 B7R1.10 CCN1CC(C1)C 269982a_100000702820_100000204670 [0,0,1,1,0,0|2,0,0]=4 3997 B7R1.10 CCN1CC(C1)C 34a_100000702820_100000210202 [0,0,1,1,0,0|2,0,0]=4 3998 B7R1.10 CNC1CC(C1)F 2230a_100016993743_200000210301 [0,0,1,1,0,0|1,0,0]=3 3999 B7R1.10 CN[C@H]1C[C@@H](C1)O 2230a_100020629032_200000210301 [0,0,1,1,0,0|1,0,0]=3 4000 B7R1.10 COC1CN(C1)C 269982a_100000755009_200000210301 [0,0,1,1,0,0|2,0,0]=4 4001 B7R1.10 COC1CN(C1)[13CH3] 269982a_100000755009_200025704644 [0,0,1,1,0,0|2,0,0]=4 4002 B7R1.10 CSC1CN(C1)C 269982a_100016990038_200000210301 [0,0,1,1,0,0|2,0,0]=4 4003 B7R1.10 CSC1CN(C1)[13CH3] 269982a_100016990038_200025704644 [0,0,1,1,0,0|2,0,0]=4 4004 B7R1.10 [13CH3]NC1CC(C1)F 2230a_100016993743_200025704644 [0,0,1,1,0,0|1,0,0]=3 4005 B7R1.10 [13CH3]N[C@H]1C[C@@H](C1)O 2230a_100020629032_200025704644 [0,0,1,1,0,0|1,0,0]=3 4006 B7R1.21 CC1(CC1)CN[13CH3] 2230a_100000766693_200025704644 [0,0,1,1,0,0|2,0,0]=4 4007 B7R1.21 CC1(CC1)CO[13CH3] 7a_100000698024_200025704644 [0,0,1,1,0,0|2,0,0]=4 4008 B7R1.21 CC1(CC1)OCF 7a_100011725673_100015361967 [0,0,1,1,0,0|2,0,0]=4 4009 B7R1.21 CC1(CO1)CS[13CH3] 62a_100000760498_200025704644 [0,0,1,1,0,0|2,0,0]=4 4010 B7R1.21 CC1(CO1)CS[13CH3] 62a_200025704644_100000760498 [0,0,1,1,0,0|2,0,0]=4 4011 B7R1.21 CCNC1(CC1)C 2230a_100000757604_100000210202 [0,0,1,1,0,0|0,0,0]=2 4012 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [0,0,1,1,0,0|1,0,0]=3 4013 B7R1.21 CNCC1(CC1)C 2230a_100000766693_200000210301 [0,0,1,1,0,0|2,0,0]=4 4014 B7R1.21 CNCC1(CO1)C 34a_100102657272_100000760498 [0,0,1,1,0,0|2,0,0]=4 4015 B7R1.21 COCC1(CC1)C 7a_100000698024_200000210301 [0,0,1,1,0,0|2,0,0]=4 4016 B7R1.21 COCC1(CO1)C 34a_100138415774_100000760498 [0,0,1,1,0,0|2,0,0]=4 4017 B7R1.21 CSCC1(CO1)C 62a_100000760498_200000210301 [0,0,1,1,0,0|2,0,0]=4 4018 B7R1.21 CSCC1(CO1)C 62a_200000210301_100000760498 [0,0,1,1,0,0|2,0,0]=4 4019 B7R1.22 CC(N[13CH3])C1CC1 2230a_100000700016_200025704644 [0,0,1,1,0,0|0,0,0]=2 4020 B7R1.22 CC(N[13CH3])C1CC1 34a_100000700016_200025704644 [0,0,1,1,0,0|0,0,0]=2 4021 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [0,0,1,1,0,0|1,0,0]=3 4022 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [0,0,1,1,0,0|1,0,0]=3 4023 B7R1.22 CCN(C)C1CC1 2230a_100000226674_100000210202 [0,0,1,1,0,0|2,0,0]=4 4024 B7R1.22 CCN(C)C1CC1 2230a_100000738653_200000210301 [0,0,1,1,0,0|2,0,0]=4 4025 B7R1.22 CCN(C)C1CC1 269982a_100000225621_100000211595 [0,0,1,1,0,0|2,0,0]=4 4026 B7R1.22 CCN(C)C1CC1 269982a_100000226674_100000204670 [0,0,1,1,0,0|2,0,0]=4 4027 B7R1.22 CCN(C)C1CC1 269982a_100000738653_200000210301 [0,0,1,1,0,0|2,0,0]=4 4028 B7R1.22 CCN([13CH3])C1CC1 2230a_100000738653_200025704644 [0,0,1,1,0,0|2,0,0]=4 4029 B7R1.22 CCN([13CH3])C1CC1 269982a_100000738653_200025704644 [0,0,1,1,0,0|2,0,0]=4 4030 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [0,0,1,1,0,0|1,0,1]=4 4031 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [0,0,1,1,0,0|1,0,1]=4 4032 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [0,0,1,1,0,0|1,0,1]=4 4033 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [0,0,1,1,0,0|1,0,1]=4 4034 B7R1.22 CNC(C)C1CC1 2230a_100000700016_200000210301 [0,0,1,1,0,0|0,0,0]=2 4035 B7R1.22 CNC(C)C1CC1 269862a_106832991636_100000210639 [0,0,1,1,0,0|0,0,0]=2 4036 B7R1.22 CNC(C)C1CC1 34a_100000700016_200000210301 [0,0,1,1,0,0|0,0,0]=2 4037 B7R1.22 CNC(C)C1CO1 270004a_106832991635_100000031964 [0,0,1,1,0,0|1,0,0]=3 4038 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [0,0,1,1,0,0|1,0,0]=3 4039 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [0,0,1,1,0,0|1,0,0]=3 4040 B7R1.25 CC1(CCC1)N[13CH3] 2230a_100000692455_200025704644 [0,0,1,1,0,0|0,0,0]=2 4041 B7R1.25 CC1(CCC1)N[13CH3] 34a_100000692455_200025704644 [0,0,1,1,0,0|0,0,0]=2 4042 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [0,0,1,1,0,0|1,0,0]=3 4043 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [0,0,1,1,0,0|1,0,0]=3 4044 B7R1.25 CC1(COC1)N[13CH3] 2230a_100000732644_200025704644 [0,0,1,1,0,0|1,0,0]=3 4045 B7R1.25 CC1(CSC1)O[13CH3] 7a_100016018533_200025704644 [0,0,1,1,0,0|2,0,0]=4 4046 B7R1.25 CNC1(CCC1)C 2230a_100000692455_200000210301 [0,0,1,1,0,0|0,0,0]=2 4047 B7R1.25 CNC1(CCC1)C 34a_100000692455_200000210301 [0,0,1,1,0,0|0,0,0]=2 4048 B7R1.25 CNC1(COC1)C 2230a_100000732644_200000210301 [0,0,1,1,0,0|1,0,0]=3 4049 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [0,0,1,1,0,0|1,0,0]=3 4050 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [0,0,1,1,0,0|1,0,0]=3 4051 B7R1.25 COC1(CSC1)C 7a_100016018533_200000210301 [0,0,1,1,0,0|2,0,0]=4 4052 B7R1.7 BrCCOC1CC1 34a_100000211926_100000211595 [0,0,1,1,0,0|2,0,0]=4 4053 B7R1.7 C#CCNC1CC1 34a_100000212008_100000184674 [0,0,1,1,0,0|0,0,2]=4 4054 B7R1.7 C#CCNC1CC1 34a_100000212058_100000211595 [0,0,1,1,0,0|0,0,2]=4 4055 B7R1.7 C=CCNC1CC1 34a_100000212008_100015514636 [0,0,1,1,0,0|0,0,2]=4 4056 B7R1.7 CC=NNC1CC1 4a_100000701032_200000210099 [0,0,1,1,0,0|1,0,1]=4 4057 B7R1.7 CCCNC1CC1 34a_100000212008_100000210303 [0,0,1,1,0,0|0,0,0]=2 4058 B7R1.7 CCCOC1CC1 34a_100000210258_100000211595 [0,0,1,1,0,0|1,0,0]=3 4059 B7R1.7 CCCSC1CC1 62a_100000210303_100000211595 [0,0,1,1,0,0|1,0,0]=3 4060 B7R1.7 CCNCC1CC1 2230a_100000735609_100000210202 [0,0,1,1,0,0|2,0,0]=4 4061 B7R1.7 CCNCC1CC1 2230a_100015525214_100000742324 [0,0,1,1,0,0|2,0,0]=4 4062 B7R1.7 CCNCC1CC1 269862a_100015525214_100000741477 [0,0,1,1,0,0|2,0,0]=4 4063 B7R1.7 CCNCC1CC1 34a_100000735609_100000210202 [0,0,1,1,0,0|2,0,0]=4 4064 B7R1.7 CCNCC1CO1 2230a_100015525214_100011216344 [0,0,1,1,0,0|2,0,0]=4 4065 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [0,0,1,1,0,0|2,0,0]=4 4066 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [0,0,1,1,0,0|2,0,0]=4 4067 B7R1.7 CCOCC1CO1 34a_100121572206_102125554688 [0,0,1,1,0,0|2,0,0]=4 4068 B7R1.7 CCOC[C@@H]1CO1 34a_100000757423_100000210202 [0,0,1,1,0,0|2,0,0]=4 4069 B7R1.7 CCSCC1CC1 62a_100000210202_100000742324 [0,0,1,1,0,0|2,0,0]=4 4070 B7R1.7 CCSCC1CC1 62a_100000756562_100000210202 [0,0,1,1,0,0|2,0,0]=4 4071 B7R1.7 CCSCC1CO1 62a_100000210202_102125554688 [0,0,1,1,0,0|2,0,0]=4 4072 B7R1.7 CCSCC1CO1 62a_102125554688_100000210202 [0,0,1,1,0,0|2,0,0]=4 4073 B7R1.7 CCSCC1CS1 62a_100000031435_100000210202 [0,0,1,1,0,0|2,0,0]=4 4074 B7R1.7 CCSCC1CS1 62a_100000210202_100000031435 [0,0,1,1,0,0|2,0,0]=4 4075 B7R1.7 CCSC[C@@H]1CO1 62a_100000210202_100000745022 [0,0,1,1,0,0|2,0,0]=4 4076 B7R1.7 CCSC[C@@H]1CO1 62a_100000745022_100000210202 [0,0,1,1,0,0|2,0,0]=4 4077 B7R1.7 CNCCC1CC1 2230a_106832991635_100000694398 [0,0,1,1,0,0|2,0,0]=4 4078 B7R1.7 CNCCC1CC1 34a_100000764129_200000210301 [0,0,1,1,0,0|2,0,0]=4 4079 B7R1.7 CNCCC1CC1 34a_100102657272_100000694398 [0,0,1,1,0,0|2,0,0]=4 4080 B7R1.7 CNCCC1CC1 7a_106832991635_100000764125 [0,0,1,1,0,0|2,0,0]=4 4081 B7R1.7 CNCCC1CO1 2230a_106832991635_100000732470 [0,0,1,1,0,0|2,0,0]=4 4082 B7R1.7 CNCCC1CO1 34a_100102657272_100000732470 [0,0,1,1,0,0|2,0,0]=4 4083 B7R1.7 CNCCC1CO1 7a_106832991635_100000732470 [0,0,1,1,0,0|2,0,0]=4 4084 B7R1.7 COCCC1CC1 34a_100000754188_200000210301 [0,0,1,1,0,0|2,0,0]=4 4085 B7R1.7 COCCC1CC1 34a_100138415774_100000694398 [0,0,1,1,0,0|2,0,0]=4 4086 B7R1.7 COCCC1CC1 7a_100000754188_200000210301 [0,0,1,1,0,0|2,0,0]=4 4087 B7R1.7 COCCC1CO1 34a_100138415774_100000732470 [0,0,1,1,0,0|2,0,0]=4 4088 B7R1.7 COCC[C@@H]1CO1 34a_100009820653_200000210301 [0,0,1,1,0,0|2,0,0]=4 4089 B7R1.7 COCSC1CC1 62a_100000766300_100000211595 [0,0,1,1,0,0|2,0,0]=4 4090 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [0,0,1,1,0,0|2,0,0]=4 4091 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [0,0,1,1,0,0|2,0,0]=4 4092 B7R1.7 CSCCC1CO1 62a_100000732470_200000210301 [0,0,1,1,0,0|2,0,0]=4 4093 B7R1.7 CSCCC1CO1 62a_200000210301_100000732470 [0,0,1,1,0,0|2,0,0]=4 4094 B7R1.7 CSCNC1CC1 34a_100000212008_100011218213 [0,0,1,1,0,0|1,0,0]=3 4095 B7R1.7 CSCSC1CC1 62a_100011218213_100000211595 [0,0,1,1,0,0|2,0,0]=4 4096 B7R1.7 FCCNC1CC1 34a_100000212008_100011217306 [0,0,1,1,0,0|1,0,0]=3 4097 B7R1.7 FCCNC1CC1 34a_100000724931_100000211595 [0,0,1,1,0,0|1,0,0]=3 4098 B7R1.7 FCCSC1CC1 62a_100011217306_100000211595 [0,0,1,1,0,0|2,0,0]=4 4099 B7R1.7 NCCOC1CC1 34a_100000210304_100000211595 [0,0,1,1,0,0|2,0,0]=4 4100 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [0,0,1,1,0,0|1,0,1]=4 4101 B7R1.7 OCCNC1CC1 34a_100000212008_100000211926 [0,0,1,1,0,0|1,0,0]=3 4102 B7R1.7 OCCNC1CC1 34a_100016990907_100000211595 [0,0,1,1,0,0|1,0,0]=3 4103 B7R1.7 OCCSC1CC1 62a_100000211926_100000211595 [0,0,1,1,0,0|2,0,0]=4 4104 B7R1.7 [13CH3]NCCC1CC1 34a_100000764129_200025704644 [0,0,1,1,0,0|2,0,0]=4 4105 B7R1.7 [13CH3]OCCC1CC1 34a_100000754188_200025704644 [0,0,1,1,0,0|2,0,0]=4 4106 B7R1.7 [13CH3]OCCC1CC1 7a_100000754188_200025704644 [0,0,1,1,0,0|2,0,0]=4 4107 B7R1.7 [13CH3]OCC[C@@H]1CO1 34a_100009820653_200025704644 [0,0,1,1,0,0|2,0,0]=4 4108 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [0,0,1,1,0,0|2,0,0]=4 4109 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [0,0,1,1,0,0|2,0,0]=4 4110 B7R1.7 [13CH3]SCCC1CO1 62a_100000732470_200025704644 [0,0,1,1,0,0|2,0,0]=4 4111 B7R1.7 [13CH3]SCCC1CO1 62a_200025704644_100000732470 [0,0,1,1,0,0|2,0,0]=4 4112 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,0,1,1,0,0|1,0,1]=4 4113 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,0,1,1,0,0|1,0,1]=4 4114 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,1,1,0,0|1,0,1]=4 4115 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,1,1,0,0|1,0,1]=4 4116 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,0,1,1,0,0|1,0,1]=4 4117 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,0,1,1,0,0|1,0,1]=4 4118 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,0,1,1,0,0|1,0,1]=4 4119 B7R1.18 CC(C)N1CCC1 269982a_100000754969_100000210206 [0,0,1,1,0,0|0,0,0]=2 4120 B7R1.18 CN(C)C1CCC1 2230a_100000758072_200000210301 [0,0,1,1,0,0|2,0,0]=4 4121 B7R1.18 CN(C)C1CCC1 269982a_100000758072_200000210301 [0,0,1,1,0,0|2,0,0]=4 4122 B7R1.18 CN(C)C1CCC1 269982a_100102631434_100000749161 [0,0,1,1,0,0|2,0,0]=4 4123 B7R1.18 CN(C)C1CCC1 270004a_100102631434_100000241760 [0,0,1,1,0,0|2,0,0]=4 4124 B7R1.18 CN(C)C1CCC1 34a_100000758072_200000210301 [0,0,1,1,0,0|2,0,0]=4 4125 B7R1.18 CN([13CH3])C1CCC1 2230a_100000758072_200025704644 [0,0,1,1,0,0|2,0,0]=4 4126 B7R1.18 CN([13CH3])C1CCC1 269982a_100000758072_200025704644 [0,0,1,1,0,0|2,0,0]=4 4127 B7R1.18 CN([13CH3])C1CCC1 34a_100000758072_200025704644 [0,0,1,1,0,0|2,0,0]=4 4128 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,1,1,0,0|1,0,1]=4 4129 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,0,1,1,0,0|1,0,1]=4 4130 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,0,1,1,0,0|1,0,1]=4 4131 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [0,0,1,1,0,0|1,0,1]=4 4132 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [0,0,1,1,0,0|1,0,1]=4 4133 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [0,0,1,1,0,0|1,0,1]=4 4134 B7R1.20 CC(C)NC1CC1 34a_100000212008_100000210206 [0,0,1,1,0,0|0,0,0]=2 4135 B7R1.20 CC(C)NC1CC1 34a_100138425928_100000211595 [0,0,1,1,0,0|0,0,0]=2 4136 B7R1.20 CC(C)OC1CC1 34a_100000212225_100000211595 [0,0,1,1,0,0|1,0,0]=3 4137 B7R1.20 CC(C)SC1CC1 62a_100000210206_100000211595 [0,0,1,1,0,0|1,0,0]=3 4138 B7R1.20 CN(C)CC1CC1 2230a_100000741881_200000210301 [0,0,1,1,0,0|2,0,0]=4 4139 B7R1.20 CN(C)CC1CC1 2230a_100102631434_100000742324 [0,0,1,1,0,0|2,0,0]=4 4140 B7R1.20 CN(C)CC1CC1 269982a_100000741881_200000210301 [0,0,1,1,0,0|2,0,0]=4 4141 B7R1.20 CN(C)CC1CC1 269982a_100102631434_100000756562 [0,0,1,1,0,0|2,0,0]=4 4142 B7R1.20 CN([13CH3])CC1CC1 2230a_100000741881_200025704644 [0,0,1,1,0,0|2,0,0]=4 4143 B7R1.20 CN([13CH3])CC1CC1 269982a_100000741881_200025704644 [0,0,1,1,0,0|2,0,0]=4 4144 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,0,1,1,0,0|1,0,1]=4 4145 B9R2.24 CN1C2CCC1CC2 2230a_100000735658_200000210301 [0,1,0,1,0,0|1,0,0]=3 4146 B9R2.24 CN1C2CCC1CC2 269982a_100000735658_200000210301 [0,1,0,1,0,0|1,0,0]=3 4147 B9R2.24 CN1C2CCC1CC2 34a_100000735658_200000210301 [0,1,0,1,0,0|1,0,0]=3 4148 B9R2.24 [13CH3]N1C2CCC1CC2 2230a_100000735658_200025704644 [0,1,0,1,0,0|1,0,0]=3 4149 B9R2.24 [13CH3]N1C2CCC1CC2 269982a_100000735658_200025704644 [0,1,0,1,0,0|1,0,0]=3 4150 B9R2.24 [13CH3]N1C2CCC1CC2 34a_100000735658_200025704644 [0,1,0,1,0,0|1,0,0]=3 4151 B9R2.47 CCN1CC2CC2C1 2230a_100000741873_100000210202 [0,1,0,1,0,0|2,0,0]=4 4152 B9R2.47 CCN1CC2CC2C1 269982a_100000741873_100000204670 [0,1,0,1,0,0|2,0,0]=4 4153 B9R2.47 CCN1CC2CC2C1 34a_100000741873_100000210202 [0,1,0,1,0,0|2,0,0]=4 4154 B9R2.47 CNC1CC2CC2C1 270004a_106832991635_100010340937 [0,1,0,1,0,0|1,0,0]=3 4155 B9R2.47 FCN1CC2CC2C1 269982a_100000741873_100015361967 [0,1,0,1,0,0|2,0,0]=4 4156 B9R2.47 FCN1CC2CC2C1 34a_100000741873_100015361967 [0,1,0,1,0,0|2,0,0]=4 4157 B9R2.65 CNC1C2C1COC2 2230a_100000702821_200000210301 [0,1,0,1,0,0|2,0,0]=4 4158 B9R2.65 CNC1C2C1COC2 34a_100000702821_200000210301 [0,1,0,1,0,0|2,0,0]=4 4159 B9R2.65 [13CH3]NC1C2C1COC2 2230a_100000702821_200025704644 [0,1,0,1,0,0|2,0,0]=4 4160 B9R2.65 [13CH3]NC1C2C1COC2 34a_100000702821_200025704644 [0,1,0,1,0,0|2,0,0]=4 4161 B9R2.70 CNC1CCC2C1C2 269862a_106832991636_100000692480 [0,1,0,1,0,0|1,0,0]=3 4162 B9R2.70 CNC1CCC2C1C2 270004a_106832991635_100000692480 [0,1,0,1,0,0|1,0,0]=3 4163 B9R2.70 COC1CCC2C1C2 34a_200012295571_200000210301 [0,1,0,1,0,0|1,0,0]=3 4164 B9R2.70 [13CH3]OC1CCC2C1C2 34a_200012295571_200025704644 [0,1,0,1,0,0|1,0,0]=3 4165 B9R2.39 CN1CC2C=CC1C2 2230a_100000732668_200000210301 [0,1,0,1,0,0|0,0,2]=4 4166 B9R2.39 CN1CC2C=CC1C2 269982a_100000732668_200000210301 [0,1,0,1,0,0|0,0,2]=4 4167 B9R2.39 CN1CC2C=CC1C2 34a_100000732668_200000210301 [0,1,0,1,0,0|0,0,2]=4 4168 B9R2.39 CN1CC2CCC1C2 2230a_100000743476_200000210301 [0,1,0,1,0,0|0,0,0]=2 4169 B9R2.39 CN1CC2CCC1C2 269982a_100000743476_200000210301 [0,1,0,1,0,0|0,0,0]=2 4170 B9R2.39 CN1CC2CCC1C2 34a_100000743476_200000210301 [0,1,0,1,0,0|0,0,0]=2 4171 B9R2.39 CN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_200000210301 [0,1,0,1,0,0|1,0,0]=3 4172 B9R2.39 CN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_200000210301 [0,1,0,1,0,0|1,0,0]=3 4173 B9R2.39 CN1C[C@H]2C[C@@H]1CO2 34a_100016995552_200000210301 [0,1,0,1,0,0|1,0,0]=3 4174 B9R2.39 [13CH3]N1CC2C=CC1C2 2230a_100000732668_200025704644 [0,1,0,1,0,0|0,0,2]=4 4175 B9R2.39 [13CH3]N1CC2C=CC1C2 269982a_100000732668_200025704644 [0,1,0,1,0,0|0,0,2]=4 4176 B9R2.39 [13CH3]N1CC2C=CC1C2 34a_100000732668_200025704644 [0,1,0,1,0,0|0,0,2]=4 4177 B9R2.39 [13CH3]N1CC2CCC1C2 2230a_100000743476_200025704644 [0,1,0,1,0,0|0,0,0]=2 4178 B9R2.39 [13CH3]N1CC2CCC1C2 269982a_100000743476_200025704644 [0,1,0,1,0,0|0,0,0]=2 4179 B9R2.39 [13CH3]N1CC2CCC1C2 34a_100000743476_200025704644 [0,1,0,1,0,0|0,0,0]=2 4180 B9R2.39 [13CH3]N1C[C@H]2C[C@@H]1CO2 2230a_100016995552_200025704644 [0,1,0,1,0,0|1,0,0]=3 4181 B9R2.39 [13CH3]N1C[C@H]2C[C@@H]1CO2 269982a_100016995552_200025704644 [0,1,0,1,0,0|1,0,0]=3 4182 B9R2.39 [13CH3]N1C[C@H]2C[C@@H]1CO2 34a_100016995552_200025704644 [0,1,0,1,0,0|1,0,0]=3 4183 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [0,0,0,0,2,0|1,0,0]=3 4184 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [0,0,0,0,2,0|1,0,0]=3 4185 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [0,0,0,0,0,2|2,0,0]=4 4186 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [0,0,0,0,0,2|2,0,0]=4 4187 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [0,0,0,0,0,2|2,0,0]=4 4188 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [0,0,0,0,0,2|2,0,0]=4 4189 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [0,0,0,0,0,2|2,0,0]=4 4190 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [0,0,0,0,0,2|2,0,0]=4