0 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,0,0,0,0,0|1,0,2]=3 4 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.6 CC(=O)N1CC=CCC1 11a_100000698166_100015343762 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.6 CC(=O)N1CC=CCC1 1626a_100000698166_100015343762 [0,0,0,0,0,0|2,0,2]=4 16 B9R1.6 CC(=O)N1CC=CCC1 240690a_100000698166_100015343762 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.6 CC(=O)N1CC=CCC1 527a_100000698166_100103153847 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [0,0,0,0,0,0|1,0,2]=3 28 B9R1.6 CN(C)C1CCCCC1 2230a_100000207522_200000210301 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.6 CN(C)C1CCCCC1 269982a_100000207522_200000210301 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.6 CN(C)C1CCCCC1 269982a_100102631434_100000210327 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.6 CN(C)C1CCCCC1 270004a_100102631434_100000210434 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.6 CN(C)C1CCCCC1 34a_100000207522_200000210301 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.6 CN(C)C1CCCOC1 269982a_100102631434_100000693364 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.6 CN(C)C1CCCOC1 270004a_100102631434_100000753404 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.6 CN(C)C1CCCSC1 270004a_100102631434_100000057913 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.6 CN(C)C1CCNCC1 270004a_100102631434_100015192401 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.6 CN(C)C1CCOCC1 2230a_100020587155_200000210301 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.6 CN(C)C1CCOCC1 269982a_100020587155_200000210301 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.6 CN(C)C1CCOCC1 269982a_100102631434_100011324220 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.6 CN(C)C1CCOCC1 270004a_100102631434_100011217826 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.6 CN(C)C1CCOCC1 34a_100020587155_200000210301 [0,0,0,0,0,0|4,0,0]=4 42 B9R1.6 CN(C)C1CCSCC1 2230a_100015184757_200000210301 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.6 CN(C)C1CCSCC1 269982a_100015184757_200000210301 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.6 CN(C)C1CCSCC1 269982a_100102631434_100000069128 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.6 CN(C)C1CCSCC1 270004a_100102631434_100000203788 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.6 CN(C)C1CCSCC1 34a_100015184757_200000210301 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.6 CN([13CH3])C1CCCCC1 2230a_100000207522_200025704644 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.6 CN([13CH3])C1CCCCC1 269982a_100000207522_200025704644 [0,0,0,0,0,0|3,0,0]=3 49 B9R1.6 CN([13CH3])C1CCCCC1 34a_100000207522_200025704644 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.6 CN([13CH3])C1CCOCC1 2230a_100020587155_200025704644 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.6 CN([13CH3])C1CCOCC1 269982a_100020587155_200025704644 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.6 CN([13CH3])C1CCOCC1 34a_100020587155_200025704644 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.6 CN([13CH3])C1CCSCC1 2230a_100015184757_200025704644 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.6 CN([13CH3])C1CCSCC1 269982a_100015184757_200025704644 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.6 CN([13CH3])C1CCSCC1 34a_100015184757_200025704644 [0,0,0,0,0,0|4,0,0]=4 56 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,0,0,0|1,0,2]=3 57 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [0,0,0,0,0,0|2,0,2]=4 58 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,0,0,0,0,0|2,0,2]=4 59 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,0,0,0,0|1,0,0]=1 60 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,0,0,0,0|2,0,0]=2 61 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,0,0,0,0,0|2,0,0]=2 62 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,0,0,0,0,0|2,0,0]=2 63 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,0,0,0,0,0|2,0,0]=2 64 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,0,0,0,0,0|3,0,0]=3 65 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [0,0,0,0,0,0|3,0,0]=3 66 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [0,0,0,0,0,0|1,0,2]=3 67 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.2 CNC1CCNCC1 270004a_106832991635_100015192401 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,0,0,0,0,0|2,0,0]=3 89 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,0,0,0,0,0|2,0,0]=3 90 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,0,0,0,0,0|2,0,0]=3 91 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,0,0,0,0,0|2,0,0]=3 100 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,0,0,0,0,0|2,0,0]=3 101 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [1,0,0,0,0,0|3,0,0]=4 103 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [1,0,0,0,0,0|2,0,0]=3 105 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [1,0,0,0,0,0|2,0,0]=3 106 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [1,0,0,0,0,0|3,0,0]=4 107 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [1,0,0,0,0,0|3,0,0]=4 110 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [1,0,0,0,0,0|3,0,0]=4 111 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [1,0,0,0,0,0|3,0,0]=4 112 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,0,0,0,0,0|2,0,0]=3 113 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,0,0,0,0,0|2,0,0]=3 114 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [1,0,0,0,0,0|3,0,0]=4 115 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [1,0,0,0,0,0|3,0,0]=4 116 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [1,0,0,0,0,0|3,0,0]=4 117 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [1,0,0,0,0,0|3,0,0]=4 118 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,0,0,0,0,0|2,0,0]=3 121 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,0,0,0,0,0|2,0,0]=3 122 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [1,0,0,0,0,0|3,0,0]=4 123 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.13 C=C1CCC(CC1)C(=O)C 1458a_200000138047_200000210301 [0,1,0,0,0,0|1,0,1]=3 126 B10R1.13 C=C1CCC(CC1)C(=O)[13CH3] 1458a_200000138047_200025704644 [0,1,0,0,0,0|1,0,1]=3 127 B10R1.13 C=C1CCN(CC1)C(=O)C 11a_100000752442_100015343762 [0,1,0,0,0,0|2,0,1]=4 128 B10R1.13 C=C1CCN(CC1)C(=O)C 1626a_100000752442_100015343762 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.13 C=C1CCN(CC1)C(=O)C 240690a_100000752442_100015343762 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.13 C=C1CCN(CC1)C(=O)C 527a_100000752442_100103153847 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [0,1,0,0,0,0|1,0,2]=4 132 B10R1.13 CC(=O)C1CCC(=O)NC1 1458a_100000740907_200000210301 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,1,0,0,0,0|1,0,0]=2 134 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.13 CC(=O)C1CCN(CC1)C 1458a_100000743488_200000210301 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.13 CC(=O)N1CCC(CC1)C 240690a_100000188429_100015343762 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.13 CC(=O)N1CCC(CC1)C 527a_100000188429_100103153847 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.13 CC(=O)N1CCC(CC1)F 11a_100015193889_100015343762 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.13 CC(=O)N1CCC(CC1)F 1626a_100015193889_100015343762 [0,1,0,0,0,0|2,0,0]=3 140 B10R1.13 CC(=O)N1CCC(CC1)F 240690a_100015193889_100015343762 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.13 CC(=O)N1CCC(CC1)F 527a_100015193889_100103153847 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.13 CC(=O)N1CCC(CC1)O 240690a_100025773856_100015343762 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.13 CC(=O)N1CCC(CC1)O 527a_100025773856_100103153847 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.13 CC(=O)N1CCN(CC1)C 11a_100000188432_100015343762 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.13 CC(=O)N1CCN(CC1)C 2230a_100000210354_200000210301 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.13 CC(=O)N1CCN(CC1)C 240690a_100000188432_100015343762 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.13 CC(=O)N1CCN(CC1)C 269982a_100000210354_200000210301 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.13 CC(=O)N1CCN(CC1)C 527a_100000188432_100103153847 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.13 CC(=O)N1CCN(CC1)[13CH3] 2230a_100000210354_200025704644 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.13 CC(=O)N1CCN(CC1)[13CH3] 269982a_100000210354_200025704644 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.13 CC(=O)N1CCS(=O)CC1 240690a_100000752083_100015343762 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.13 CC(=O)N1CCS(=O)CC1 527a_100000752083_100103153847 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,1,0,0,0,0|1,0,0]=2 154 B10R1.13 CC(O)C1CCN(CC1)C 2230a_100011728446_200000210301 [0,1,0,0,0,0|2,0,1]=4 155 B10R1.13 CC(O)C1CCN(CC1)C 269982a_100011728446_200000210301 [0,1,0,0,0,0|2,0,1]=4 156 B10R1.13 CC(O)C1CCN(CC1)C 34a_100011728446_200000210301 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 2230a_100011728446_200025704644 [0,1,0,0,0,0|2,0,1]=4 158 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 269982a_100011728446_200025704644 [0,1,0,0,0,0|2,0,1]=4 159 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 34a_100011728446_200025704644 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [0,1,0,0,0,0|1,0,2]=4 161 B10R1.13 CC1CCC(CC1)N(C)C 269982a_100102631434_200011216234 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.13 CC1CCC(CC1)N(C)C 270004a_100102631434_100000185489 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.13 CN(C)C1CCC(CC1)O 270004a_100102631434_100000764474 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.13 CN(C)[C@H]1CC[C@H](CC1)O 2230a_100020636401_200000210301 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.13 CN(C)[C@H]1CC[C@H](CC1)O 269982a_100020636401_200000210301 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.13 CN([13CH3])[C@H]1CC[C@H](CC1)O 2230a_100020636401_200025704644 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.13 CN([13CH3])[C@H]1CC[C@H](CC1)O 269982a_100020636401_200025704644 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.13 CN1CCC(CC1)C(=O)N 2230a_100000210938_200000210301 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.13 CN1CCC(CC1)C(=O)N 269982a_100000210938_200000210301 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.13 CN1CCC(CC1)C(=O)N 34a_100000210938_200000210301 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,1,0,0,0,0|1,0,0]=2 172 B10R1.13 CN1CCC(CC1)C(=O)[13CH3] 1458a_100000743488_200025704644 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.13 CN1CCC(CC1)C(=S)N 2230a_200011935123_200000210301 [0,1,0,0,0,0|2,1,0]=4 174 B10R1.13 CN1CCC(CC1)C(=S)N 269982a_200011935123_200000210301 [0,1,0,0,0,0|2,1,0]=4 175 B10R1.13 CN1CCC(CC1)[N+](=O)[O-] 2230a_100138415460_200000210301 [0,1,0,0,0,0|2,0,1]=4 176 B10R1.13 CN1CCC(CC1)[N+](=O)[O-] 269982a_100138415460_200000210301 [0,1,0,0,0,0|2,0,1]=4 177 B10R1.13 CN1CCN(CC1)C(=O)N 269982a_100000737871_200000210301 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,1,0,0,0,0|1,0,0]=2 179 B10R1.13 [13CH3]C(=O)C1CCC(=O)NC1 1458a_100000740907_200025704644 [0,1,0,0,0,0|2,0,1]=4 180 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,1,0,0,0,0|1,0,0]=2 181 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 2230a_100000210938_200025704644 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 269982a_100000210938_200025704644 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 34a_100000210938_200025704644 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,1,0,0,0,0|1,0,0]=2 185 B10R1.13 [13CH3]N1CCC(CC1)C(=S)N 2230a_200011935123_200025704644 [0,1,0,0,0,0|2,1,0]=4 186 B10R1.13 [13CH3]N1CCC(CC1)C(=S)N 269982a_200011935123_200025704644 [0,1,0,0,0,0|2,1,0]=4 187 B10R1.13 [13CH3]N1CCC(CC1)[N+](=O)[O-] 2230a_100138415460_200025704644 [0,1,0,0,0,0|2,0,1]=4 188 B10R1.13 [13CH3]N1CCC(CC1)[N+](=O)[O-] 269982a_100138415460_200025704644 [0,1,0,0,0,0|2,0,1]=4 189 B10R1.13 [13CH3]N1CCN(CC1)C(=O)N 269982a_100000737871_200025704644 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.15 C#CC(=O)C1C=CCCC1 1458a_100000211873_100000751183 [0,1,0,0,0,0|1,0,2]=4 191 B10R1.15 C#CC(=O)C1CCCCC1 1458a_100000211873_100000210327 [0,1,0,0,0,0|1,0,0]=2 192 B10R1.15 C#CC(=O)C1CCCOC1 1458a_100000211873_100000693364 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.15 C#CC(=O)C1CCOCC1 1458a_100000211873_100011324220 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.15 C=CC(=O)C1C=CCCC1 1458a_100000185746_100000751183 [0,1,0,0,0,0|1,0,2]=4 195 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [0,1,0,0,0,0|1,0,0]=2 196 B10R1.15 C=CC(=O)C1CCCOC1 1458a_100000185746_100000693364 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.15 C=CC(=O)C1CCOCC1 1458a_100000185746_100011324220 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.15 C=CC(=O)N1CCCOC1 240690a_100000131196_200121576911 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.15 C=CC(=O)N1CCOCC1 1626a_100015191051_100000185746 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.15 C=CC(=O)N1CCOCC1 240690a_100015191051_200121576911 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.15 C=CC(=O)N1CCSCC1 240690a_100000737611_200121576911 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.15 CC(O[13CH3])C1CCCCC1 34a_100011216961_200025704644 [0,1,0,0,0,0|1,0,1]=3 203 B10R1.15 CC(O[13CH3])C1CCCCC1 7a_100011216961_200025704644 [0,1,0,0,0,0|1,0,1]=3 204 B10R1.15 CC(O[13CH3])C1CCCNC1 34a_100000740858_200025704644 [0,1,0,0,0,0|2,0,1]=4 205 B10R1.15 CC(O[13CH3])C1CCNCC1 34a_100011728446_200025704644 [0,1,0,0,0,0|2,0,1]=4 206 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [0,1,0,0,0,0|1,0,2]=4 207 B10R1.15 CCC(=O)C1C=CCCC1 1458a_100000210414_100000751183 [0,1,0,0,0,0|1,0,2]=4 208 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,1,0,0,0,0|1,0,0]=2 209 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,1,0,0,0,0|1,0,0]=2 210 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000195482_100000210202 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000210414_100011324220 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.15 CCC(=O)C1COCCO1 1458a_100000045528_100000210202 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.15 CCC(=O)C1SCCCS1 1458a_100000028545_100000210202 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.15 CCC(=O)N1CCCOC1 11a_100000131196_100000210414 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.15 CCC(=O)N1CCCOC1 240690a_100000131196_100000210414 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.15 CCC(=O)N1CCOCC1 11a_100015191051_100000210414 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.15 CCC(=O)N1CCOCC1 1626a_100015191051_100000210414 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.15 CCC(=O)N1CCOCC1 240690a_100015191051_100000210414 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.15 CCC(=O)N1CCOCC1 527a_100015191051_100000210414 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.15 CCC(=O)N1CCSCC1 11a_100000737611_100000210414 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.15 CCC(=O)N1CCSCC1 240690a_100000737611_100000210414 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.15 CCC(=O)N1CCSCC1 527a_100000737611_100000210414 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.15 CCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210202 [0,1,0,0,0,0|1,0,2]=4 228 B10R1.15 CCN(C)C1CCCCC1 2230a_100000201195_200000210301 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.15 CCN(C)C1CCCCC1 2230a_100000207522_100000210202 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.15 CCN(C)C1CCCCC1 269982a_100000201195_200000210301 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.15 CCN(C)C1CCCCC1 269982a_100000207522_100000204670 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.15 CCN(C)C1CCCCC1 269982a_100000225621_100000210327 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.15 CCN(C)C1CCCCC1 34a_100000201195_200000210301 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.15 CCN(C)C1CCCCC1 34a_100000207522_100000210202 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.15 CCN([13CH3])C1CCCCC1 2230a_100000201195_200025704644 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.15 CCN([13CH3])C1CCCCC1 269982a_100000201195_200025704644 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.15 CCN([13CH3])C1CCCCC1 34a_100000201195_200025704644 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.15 CN(CF)C1CCCCC1 269982a_100000207522_100015361967 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.15 CN(CF)C1CCCCC1 34a_100000207522_100015361967 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.15 CNC(=O)C1=CCCCC1 11a_106832991635_100000765259 [0,1,0,0,0,0|1,0,2]=4 241 B10R1.15 CNC(=O)C1=CCCCC1 1626a_100102657272_100000765259 [0,1,0,0,0,0|1,0,2]=4 242 B10R1.15 CNC(=O)C1=CCCCC1 240690a_100102657272_100000765259 [0,1,0,0,0,0|1,0,2]=4 243 B10R1.15 CNC(=O)C1=CCCCC1 527a_100102657272_100000765259 [0,1,0,0,0,0|1,0,2]=4 244 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [0,1,0,0,0,0|1,0,0]=2 245 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [0,1,0,0,0,0|1,0,0]=2 246 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [0,1,0,0,0,0|1,0,0]=2 247 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [0,1,0,0,0,0|1,0,0]=2 248 B10R1.15 CNC(=O)C1CCCCO1 11a_106832991635_100000748299 [0,1,0,0,0,0|2,0,0]=3 249 B10R1.15 CNC(=O)C1CCCCO1 1626a_100102657272_100000748299 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.15 CNC(=O)C1CCCCO1 240690a_100102657272_100000748299 [0,1,0,0,0,0|2,0,0]=3 251 B10R1.15 CNC(=O)C1CCCCO1 527a_100102657272_100000748299 [0,1,0,0,0,0|2,0,0]=3 252 B10R1.15 CNC(=O)C1CCCOC1 11a_106832991635_100000741522 [0,1,0,0,0,0|2,0,0]=3 253 B10R1.15 CNC(=O)C1CCCOC1 1626a_100102657272_100000741522 [0,1,0,0,0,0|2,0,0]=3 254 B10R1.15 CNC(=O)C1CCCOC1 240690a_100102657272_100000741522 [0,1,0,0,0,0|2,0,0]=3 255 B10R1.15 CNC(=O)C1CCCOC1 527a_100102657272_100000741522 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.15 CNC(=O)C1CCOCC1 11a_106832991635_100000195482 [0,1,0,0,0,0|2,0,0]=3 257 B10R1.15 CNC(=O)C1CCOCC1 1626a_100102657272_100000195482 [0,1,0,0,0,0|2,0,0]=3 258 B10R1.15 CNC(=O)C1CCOCC1 240690a_100102657272_100000195482 [0,1,0,0,0,0|2,0,0]=3 259 B10R1.15 CNC(=O)C1CCOCC1 527a_100102657272_100000195482 [0,1,0,0,0,0|2,0,0]=3 260 B10R1.15 CNC(=O)C1CCSCC1 11a_106832991635_100000755232 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.15 CNC(=O)C1CCSCC1 1626a_100102657272_100000755232 [0,1,0,0,0,0|2,0,0]=3 262 B10R1.15 CNC(=O)C1CCSCC1 240690a_100102657272_100000755232 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.15 CNC(=O)C1CCSCC1 527a_100102657272_100000755232 [0,1,0,0,0,0|2,0,0]=3 264 B10R1.15 CNC(=O)C1COCCO1 11a_106832991635_100000045528 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.15 CNC(=O)C1COCCO1 1626a_100102657272_100000045528 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.15 CNC(=O)C1COCCO1 240690a_100102657272_100000045528 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.15 CNC(=O)C1COCCO1 527a_100102657272_100000045528 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.15 CNC(=O)C1SCCCS1 11a_106832991635_100000028545 [0,1,0,0,0,0|3,0,0]=4 269 B10R1.15 CNC(=O)C1SCCCS1 1626a_100102657272_100000028545 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.15 CNC(=O)C1SCCCS1 240690a_100102657272_100000028545 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.15 CNC(=O)C1SCCCS1 527a_100102657272_100000028545 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.15 CNC(=O)N1CCCOC1 2708a_100102657272_100000131196 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.15 CNC(=O)N1CCCOC1 273464a_100102657272_100000131196 [0,1,0,0,0,0|3,0,0]=4 274 B10R1.15 CNC(=O)N1CCOCC1 2708a_100102657272_100015191051 [0,1,0,0,0,0|3,0,0]=4 275 B10R1.15 CNC(=O)N1CCOCC1 273464a_100102657272_100015191051 [0,1,0,0,0,0|3,0,0]=4 276 B10R1.15 CNC(=O)N1CCSCC1 2708a_100102657272_100000737611 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.15 CNC(=O)N1CCSCC1 273464a_100102657272_100000737611 [0,1,0,0,0,0|3,0,0]=4 278 B10R1.15 CNC(=O)[C@H]1CC=CCC1 11a_106832991635_100009820709 [0,1,0,0,0,0|1,0,2]=4 279 B10R1.15 CNC(=O)[C@H]1CC=CCC1 1626a_100102657272_100009820709 [0,1,0,0,0,0|1,0,2]=4 280 B10R1.15 CNC(=O)[C@H]1CC=CCC1 240690a_100102657272_100009820709 [0,1,0,0,0,0|1,0,2]=4 281 B10R1.15 CNC(=O)[C@H]1CC=CCC1 527a_100102657272_100009820709 [0,1,0,0,0,0|1,0,2]=4 282 B10R1.15 CNC(C)C1CCCCC1 269862a_106832991636_100000210989 [0,1,0,0,0,0|2,0,1]=4 283 B10R1.15 CN[C@H](C)C1CCCCC1 2230a_100025707633_200000210301 [0,1,0,0,0,0|2,0,1]=4 284 B10R1.15 CN[C@H](C)C1CCCCC1 34a_100025707633_200000210301 [0,1,0,0,0,0|2,0,1]=4 285 B10R1.15 COC(C)C1CCCCC1 34a_100011216961_200000210301 [0,1,0,0,0,0|1,0,1]=3 286 B10R1.15 COC(C)C1CCCCC1 7a_100011216961_200000210301 [0,1,0,0,0,0|1,0,1]=3 287 B10R1.15 COC(C)C1CCCNC1 34a_100000740858_200000210301 [0,1,0,0,0,0|2,0,1]=4 288 B10R1.15 COC(C)C1CCNCC1 34a_100011728446_200000210301 [0,1,0,0,0,0|2,0,1]=4 289 B10R1.15 CO[C@H](C)C1CCOCC1 34a_100000703848_200000210301 [0,1,0,0,0,0|2,0,1]=4 290 B10R1.15 CO[C@H](C)C1CCOCC1 7a_100000703848_200000210301 [0,1,0,0,0,0|2,0,1]=4 291 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 2230a_100025707633_200025704644 [0,1,0,0,0,0|2,0,1]=4 292 B10R1.15 C[C@@H](N[13CH3])C1CCCCC1 34a_100025707633_200025704644 [0,1,0,0,0,0|2,0,1]=4 293 B10R1.15 C[C@@H](O[13CH3])C1CCOCC1 34a_100000703848_200025704644 [0,1,0,0,0,0|2,0,1]=4 294 B10R1.15 C[C@@H](O[13CH3])C1CCOCC1 7a_100000703848_200025704644 [0,1,0,0,0,0|2,0,1]=4 295 B10R1.15 O=C(CF)C1=CCCCC1 1458a_100000765259_100015361967 [0,1,0,0,0,0|1,0,2]=4 296 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,1,0,0,0,0|1,0,0]=2 297 B10R1.15 O=C(CF)C1CCCCO1 1458a_100000748299_100015361967 [0,1,0,0,0,0|2,0,0]=3 298 B10R1.15 O=C(CF)C1CCCOC1 1458a_100000741522_100015361967 [0,1,0,0,0,0|2,0,0]=3 299 B10R1.15 O=C(CF)C1CCOCC1 1458a_100000195482_100015361967 [0,1,0,0,0,0|2,0,0]=3 300 B10R1.15 O=C(CF)C1CCSCC1 1458a_100000755232_100015361967 [0,1,0,0,0,0|2,0,0]=3 301 B10R1.15 O=C(CF)C1COCCO1 1458a_100000045528_100015361967 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.15 O=C(CF)C1SCCCS1 1458a_100000028545_100015361967 [0,1,0,0,0,0|3,0,0]=4 303 B10R1.15 O=C(CF)[C@H]1CC=CCC1 1458a_100009820709_100015361967 [0,1,0,0,0,0|1,0,2]=4 304 B10R1.15 O=C(CO)C1C=CCCC1 1458a_100000210174_100000751183 [0,1,0,0,0,0|0,0,2]=3 305 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,0,0,0|0,0,0]=1 306 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [0,1,0,0,0,0|1,0,0]=2 307 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [0,1,0,0,0,0|1,0,0]=2 308 B10R1.15 O=C(CO)N1CC=CCC1 240690a_100000698166_100000210174 [0,1,0,0,0,0|1,0,2]=4 309 B10R1.15 O=C(CO)N1CC=CCC1 527a_100000698166_100000210174 [0,1,0,0,0,0|1,0,2]=4 310 B10R1.15 O=C(CO)N1CCCOC1 240690a_100000131196_100000210174 [0,1,0,0,0,0|2,0,0]=3 311 B10R1.15 O=C(CO)N1CCOCC1 240690a_100015191051_100000210174 [0,1,0,0,0,0|2,0,0]=3 312 B10R1.15 O=C(CO)N1CCOCC1 527a_100015191051_100000210174 [0,1,0,0,0,0|2,0,0]=3 313 B10R1.15 O=C(CO)N1CCSCC1 240690a_100000737611_100000210174 [0,1,0,0,0,0|2,0,0]=3 314 B10R1.15 O=C(CO)N1CCSCC1 527a_100000737611_100000210174 [0,1,0,0,0,0|2,0,0]=3 315 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,1,0,0,0,0|1,0,1]=3 316 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,1,0,0,0,0|1,0,0]=2 317 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,1,0,0,0,0|1,0,0]=2 318 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [0,1,0,0,0,0|2,0,1]=4 319 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [0,1,0,0,0,0|2,0,1]=4 320 B10R1.61 CC(=O)C1COCCC1=O 1458a_100000070787_100012180262 [0,1,0,0,0,0|2,0,1]=4 321 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,1,0,0,0,0|2,0,0]=3 322 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,1,0,0,0,0|2,0,0]=3 323 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,1,0,0,0,0|2,0,0]=3 324 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,1,0,0,0,0|2,0,0]=3 325 B10R1.61 CC(=O)N1CCOC[C@@H]1C 11a_100009815349_100015343762 [0,1,0,0,0,0|3,0,0]=4 326 B10R1.61 CC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100015343762 [0,1,0,0,0,0|3,0,0]=4 327 B10R1.61 CC(=O)N1CCOC[C@@H]1C 527a_100009815349_100103153847 [0,1,0,0,0,0|3,0,0]=4 328 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [0,1,0,0,0,0|2,0,0]=3 329 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,1,0,0,0,0|1,0,0]=2 330 B10R1.61 CC1CCCCC1N(C)C 270004a_100102631434_100000210921 [0,1,0,0,0,0|3,0,0]=4 331 B10R1.61 CN(C)C1CCCCC1F 269982a_100102631434_100015423560 [0,1,0,0,0,0|3,0,0]=4 332 B10R1.61 CN(C)C1CCCCC1O 269982a_100102631434_100000038908 [0,1,0,0,0,0|3,0,0]=4 333 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1O 269982a_100000708425_200000210301 [0,1,0,0,0,0|3,0,0]=4 334 B10R1.61 CN([13CH3])[C@@H]1CCCC[C@H]1O 269982a_100000708425_200025704644 [0,1,0,0,0,0|3,0,0]=4 335 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [0,1,0,0,0,0|2,0,0]=3 336 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [0,1,0,0,0,0|2,0,0]=3 337 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [0,1,0,0,0,0|2,0,0]=3 338 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,1,0,0,0,0|1,0,0]=2 339 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [0,1,0,0,0,0|2,0,0]=3 340 B10R1.61 CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000210301 [0,1,0,0,0,0|2,0,0]=3 341 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [0,1,0,0,0,0|2,0,0]=3 342 B10R1.61 CN1CSCCC1C(=O)O 269956a_100015185162_200000210301 [0,1,0,0,0,0|2,0,0]=3 343 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,1,0,0,0,0|1,0,0]=2 344 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [0,1,0,0,0,0|2,0,1]=4 345 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [0,1,0,0,0,0|2,0,0]=3 346 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [0,1,0,0,0,0|2,0,0]=3 347 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [0,1,0,0,0,0|2,0,0]=3 348 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,1,0,0,0,0|1,0,0]=2 349 B10R1.61 [13CH3]N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200025704644 [0,1,0,0,0,0|2,0,0]=3 350 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [0,1,0,0,0,0|2,0,0]=3 351 B10R1.61 [13CH3]N1CSCCC1C(=O)O 269956a_100015185162_200025704644 [0,1,0,0,0,0|2,0,0]=3 352 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,1,0,0,0,0|1,0,0]=2 353 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,1,0,0,0,0|1,0,0]=2 354 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,1,0,0,0,0|2,0,0]=3 355 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,1,0,0,0,0|2,0,1]=4 356 B10R1.113 CC(=O)C1CN(CCO1)C 1458a_100011543126_200000210301 [0,1,0,0,0,0|3,0,0]=4 357 B10R1.113 CC(=O)N1CCCC(C1)F 11a_100000697950_100015343762 [0,1,0,0,0,0|2,0,0]=3 358 B10R1.113 CC(=O)N1CCCC(C1)F 1626a_100000697950_100015343762 [0,1,0,0,0,0|2,0,0]=3 359 B10R1.113 CC(=O)N1CCCC(C1)F 240690a_100000697950_100015343762 [0,1,0,0,0,0|2,0,0]=3 360 B10R1.113 CC(=O)N1CCCC(C1)F 527a_100000697950_100103153847 [0,1,0,0,0,0|2,0,0]=3 361 B10R1.113 CC(=O)N1CCCC(C1)O 240690a_100000211013_100015343762 [0,1,0,0,0,0|2,0,0]=3 362 B10R1.113 CC(=O)N1CCCC(C1)O 527a_100000211013_100103153847 [0,1,0,0,0,0|2,0,0]=3 363 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100015343762 [0,1,0,0,0,0|2,0,0]=3 364 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100015343762 [0,1,0,0,0,0|2,0,0]=3 365 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100103153847 [0,1,0,0,0,0|2,0,0]=3 366 B10R1.113 CC(=O)N1CCOC(C1)C 11a_100000729577_100015343762 [0,1,0,0,0,0|3,0,0]=4 367 B10R1.113 CC(=O)N1CCOC(C1)C 1626a_100000729577_100015343762 [0,1,0,0,0,0|3,0,0]=4 368 B10R1.113 CC(=O)N1CCOC(C1)C 240690a_100000729577_100015343762 [0,1,0,0,0,0|3,0,0]=4 369 B10R1.113 CC(=O)N1CCOC(C1)C 527a_100000729577_100103153847 [0,1,0,0,0,0|3,0,0]=4 370 B10R1.113 CC(=O)N1CCOC(C1)O 11a_100000688207_100015343762 [0,1,0,0,0,0|3,0,0]=4 371 B10R1.113 CC(=O)N1CCOC(C1)O 240690a_100000688207_100015343762 [0,1,0,0,0,0|3,0,0]=4 372 B10R1.113 CC(=O)N1CCOC(C1)O 527a_100000688207_100103153847 [0,1,0,0,0,0|3,0,0]=4 373 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,1,0,0,0,0|2,0,1]=4 374 B10R1.113 CC(O)C1CCCN(C1)C 2230a_100000740858_200000210301 [0,1,0,0,0,0|2,0,1]=4 375 B10R1.113 CC(O)C1CCCN(C1)C 269982a_100000740858_200000210301 [0,1,0,0,0,0|2,0,1]=4 376 B10R1.113 CC(O)C1CCCN(C1)C 34a_100000740858_200000210301 [0,1,0,0,0,0|2,0,1]=4 377 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 2230a_100000740858_200025704644 [0,1,0,0,0,0|2,0,1]=4 378 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 269982a_100000740858_200025704644 [0,1,0,0,0,0|2,0,1]=4 379 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 34a_100000740858_200025704644 [0,1,0,0,0,0|2,0,1]=4 380 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,1,0,0,0,0|1,0,0]=2 381 B10R1.113 CC1CCCC(C1)N(C)C 270004a_100102631434_100000183594 [0,1,0,0,0,0|3,0,0]=4 382 B10R1.113 CN(C)C1CCCC(C1)O 270004a_100102631434_100012613340 [0,1,0,0,0,0|3,0,0]=4 383 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [0,1,0,0,0,0|2,0,0]=3 384 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [0,1,0,0,0,0|2,0,0]=3 385 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [0,1,0,0,0,0|2,0,0]=3 386 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,1,0,0,0,0|2,0,0]=3 387 B10R1.113 CN1CCOC(C1)C(=O)N 2230a_100000748043_200000210301 [0,1,0,0,0,0|3,0,0]=4 388 B10R1.113 CN1CCOC(C1)C(=O)N 34a_100000748043_200000210301 [0,1,0,0,0,0|3,0,0]=4 389 B10R1.113 CN1CCOC(C1)C(=O)[13CH3] 1458a_100011543126_200025704644 [0,1,0,0,0,0|3,0,0]=4 390 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,1,0,0,0,0|1,0,0]=2 391 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,1,0,0,0,0|2,0,1]=4 392 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,1,0,0,0,0|2,0,1]=4 393 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [0,1,0,0,0,0|2,0,0]=3 394 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [0,1,0,0,0,0|2,0,0]=3 395 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [0,1,0,0,0,0|2,0,0]=3 396 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 2230a_100000748043_200025704644 [0,1,0,0,0,0|3,0,0]=4 397 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 34a_100000748043_200025704644 [0,1,0,0,0,0|3,0,0]=4 398 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [0,1,0,0,0,0|1,0,0]=2 399 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [0,1,0,0,0,0|1,0,0]=2 400 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [0,1,0,0,0,0|1,0,0]=2 401 B10R1.363 CC(=O)C1(CCOCC1)C 1458a_100000749465_200000210301 [0,1,0,0,0,0|2,0,0]=3 402 B10R1.363 CC(=O)C1(CCOCC1)F 1458a_100009845733_200000210301 [0,1,0,0,0,0|2,0,0]=3 403 B10R1.363 CC(=O)C1(CCOCC1)O 1458a_100000751969_200000210301 [0,1,0,0,0,0|2,0,0]=3 404 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [0,1,0,0,0,0|1,0,0]=2 405 B10R1.363 CC1(CCOCC1)C(=O)[13CH3] 1458a_100000749465_200025704644 [0,1,0,0,0,0|2,0,0]=3 406 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [0,1,0,0,0,0|1,0,0]=2 407 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [0,1,0,0,0,0|1,0,0]=2 408 B10R1.363 [13CH3]C(=O)C1(CCOCC1)F 1458a_100009845733_200025704644 [0,1,0,0,0,0|2,0,0]=3 409 B10R1.363 [13CH3]C(=O)C1(CCOCC1)O 1458a_100000751969_200025704644 [0,1,0,0,0,0|2,0,0]=3 410 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [0,0,1,0,0,0|1,0,2]=4 411 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [0,0,1,0,0,0|1,0,2]=4 412 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [0,0,1,0,0,0|1,0,2]=4 413 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [0,0,1,0,0,0|1,0,2]=4 414 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [0,0,1,0,0,0|1,0,2]=4 415 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [0,0,1,0,0,0|3,0,0]=4 416 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [0,0,1,0,0,0|3,0,0]=4 417 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [0,0,1,0,0,0|3,0,0]=4 418 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [0,0,1,0,0,0|3,0,0]=4 419 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [0,0,1,0,0,0|3,0,0]=4 420 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [0,0,1,0,0,0|3,0,0]=4 421 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [0,0,1,0,0,0|3,0,0]=4 422 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [0,0,1,0,0,0|3,0,0]=4 423 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [0,0,1,0,0,0|3,0,0]=4 424 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [0,0,1,0,0,0|3,0,0]=4 425 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [0,0,1,0,0,0|3,0,0]=4 426 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [0,0,1,0,0,0|3,0,0]=4 427 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [0,0,1,0,0,0|3,0,0]=4 428 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [0,0,1,0,0,0|3,0,0]=4 429 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [0,0,1,0,0,0|3,0,0]=4 430 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [0,0,1,0,0,0|3,0,0]=4 431 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [0,0,1,0,0,0|3,0,0]=4 432 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [0,0,1,0,0,0|3,0,0]=4 433 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [0,0,1,0,0,0|3,0,0]=4 434 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,0,1,0,0,0|1,0,2]=4 435 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,0,1,0,0,0|1,0,2]=4 436 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,0,1,0,0,0|1,0,2]=4 437 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,0,1,0,0,0|1,0,2]=4 438 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [0,0,1,0,0,0|1,0,2]=4 439 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [0,0,1,0,0,0|2,0,1]=4 440 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,0,1,0,0,0|2,0,0]=3 441 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,0,1,0,0,0|2,0,0]=3 442 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,0,1,0,0,0|2,0,0]=3 443 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,0,1,0,0,0|2,0,0]=3 444 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,0,1,0,0,0|2,0,0]=3 445 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [0,0,1,0,0,0|3,0,0]=4 446 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [0,0,1,0,0,0|3,0,0]=4 447 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,0,1,0,0,0|3,0,0]=4 448 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,0,1,0,0,0|3,0,0]=4 449 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,0,1,0,0,0|3,0,0]=4 450 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,0,1,0,0,0|3,0,0]=4 451 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,0,1,0,0,0|3,0,0]=4 452 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,0,1,0,0,0|3,0,0]=4 453 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,0,1,0,0,0|3,0,0]=4 454 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,0,1,0,0,0|3,0,0]=4 455 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,0,1,0,0,0|3,0,0]=4 456 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,0,1,0,0,0|3,0,0]=4 457 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,0,1,0,0,0|3,0,0]=4 458 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,0,1,0,0,0|3,0,0]=4 459 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,0,1,0,0,0|3,0,0]=4 460 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,0,1,0,0,0|3,0,0]=4 461 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,0,1,0,0,0|3,0,0]=4 462 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,0,1,0,0,0|3,0,0]=4 463 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [0,0,1,0,0,0|3,0,0]=4 464 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [0,0,1,0,0,0|3,0,0]=4 465 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,0,1,0,0,0|3,0,0]=4 466 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,0,1,0,0,0|3,0,0]=4 467 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,0,1,0,0,0|3,0,0]=4 468 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,0,1,0,0,0|3,0,0]=4 469 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,0,1,0,0,0|1,0,2]=4 470 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,0,1,0,0,0|1,0,2]=4 471 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,0,1,0,0,0|1,0,2]=4 472 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,0,1,0,0,0|1,0,2]=4 473 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,0,1,0,0,0|1,0,2]=4 474 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,0,1,0,0,0|1,0,0]=2 475 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,0,1,0,0,0|1,0,0]=2 476 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,0,1,0,0,0|1,0,0]=2 477 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [0,0,1,0,0,0|3,0,0]=4 478 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [0,0,1,0,0,0|3,0,0]=4 479 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [0,0,1,0,0,0|3,0,0]=4 480 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [0,0,1,0,0,0|3,0,0]=4 481 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [0,0,1,0,0,0|3,0,0]=4 482 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [0,0,1,0,0,0|3,0,0]=4 483 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,0,1,0,0,0|2,0,0]=3 484 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,0,1,0,0,0|2,0,0]=3 485 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,0,1,0,0,0|2,0,0]=3 486 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,0,1,0,0,0|2,0,0]=3 487 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,0,1,0,0,0|2,0,0]=3 488 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,0,1,0,0,0|2,0,0]=3 489 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,0,1,0,0,0|2,0,0]=3 490 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,0,1,0,0,0|1,0,0]=2 491 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [0,0,1,0,0,0|2,0,1]=4 492 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [0,0,1,0,0,0|2,0,1]=4 493 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [0,0,1,0,0,0|2,0,1]=4 494 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [0,0,1,0,0,0|2,0,1]=4 495 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [0,0,1,0,0,0|2,0,1]=4 496 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [0,0,1,0,0,0|2,0,1]=4 497 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [0,0,1,0,0,0|3,0,0]=4 498 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,0,1,0,0,0|2,0,0]=3 499 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,0,1,0,0,0|2,0,0]=3 500 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,0,1,0,0,0|2,0,0]=3 501 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,0,1,0,0,0|2,0,0]=3 502 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,0,1,0,0,0|2,0,0]=3 503 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,0,1,0,0,0|2,0,0]=3 504 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,0,1,0,0,0|1,0,1]=3 505 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [0,0,1,0,0,0|2,0,1]=4 506 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [0,0,1,0,0,0|2,0,1]=4 507 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [0,0,1,0,0,0|2,0,1]=4 508 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [0,0,1,0,0,0|2,0,1]=4 509 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [0,0,1,0,0,0|2,0,1]=4 510 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,0,1,0,0,0|2,0,0]=3 511 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,0,1,0,0,0|2,0,0]=3 512 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,0,1,0,0,0|2,0,0]=3 513 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,0,1,0,0,0|2,0,0]=3 514 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,0,1,0,0,0|1,0,1]=3 515 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,0,1,0,0,0|1,0,1]=3 516 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [0,0,1,0,0,0|2,0,1]=4 517 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [0,0,1,0,0,0|2,0,1]=4 518 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [0,0,1,0,0,0|2,0,1]=4 519 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [0,0,1,0,0,0|2,0,1]=4 520 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [0,0,1,0,0,0|2,0,1]=4 521 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [0,0,1,0,0,0|2,0,1]=4 522 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,0,1,0,0,0|2,0,0]=3 523 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,0,1,0,0,0|2,0,0]=3 524 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,0,1,0,0,0|2,0,0]=3 525 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,0,1,0,0,0|2,0,0]=3 526 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,0,1,0,0,0|2,0,0]=3 527 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,0,1,0,0,0|2,0,0]=3 528 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,0,1,0,0,0|2,0,0]=3 529 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [0,0,1,0,0,0|2,0,1]=4 530 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [0,0,1,0,0,0|3,0,0]=4 531 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,0,1,0,0,0|2,0,0]=3 532 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,0,1,0,0,0|2,0,0]=3 533 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,0,1,0,0,0|2,0,0]=3 534 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,0,1,0,0,0|2,0,0]=3 535 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [0,0,1,0,0,0|2,0,1]=4 536 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [0,0,1,0,0,0|2,0,1]=4 537 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,0,1,0,0,0|3,0,0]=4 538 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,0,1,0,0,0|3,0,0]=4 539 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,0,1,0,0,0|2,0,0]=3 540 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [0,0,1,0,0,0|2,0,1]=4 541 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [0,0,1,0,0,0|3,0,0]=4 542 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [0,0,1,0,0,0|3,0,0]=4 543 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [0,0,1,0,0,0|3,0,0]=4 544 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [0,0,1,0,0,0|3,0,0]=4 545 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [0,0,1,0,0,0|3,0,0]=4 546 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,0,1,0,0,0|2,0,0]=3 547 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,0,1,0,0,0|2,0,0]=3 548 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,0,1,0,0,0|2,0,0]=3 549 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,0,1,0,0,0|2,0,0]=3 550 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,0,1,0,0,0|2,0,0]=3 551 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [0,0,1,0,0,0|2,0,1]=4 552 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [0,0,1,0,0,0|2,0,1]=4 553 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [0,0,1,0,0,0|3,0,0]=4 554 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [0,0,1,0,0,0|3,0,0]=4 555 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [0,0,1,0,0,0|3,0,0]=4 556 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [0,0,1,0,0,0|3,0,0]=4 557 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [0,0,1,0,0,0|3,0,0]=4 558 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [0,0,1,0,0,0|3,0,0]=4 559 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [0,0,1,0,0,0|3,0,0]=4 560 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [0,0,1,0,0,0|3,0,0]=4 561 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [0,0,1,0,0,0|3,0,0]=4 562 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,0,1,0,0,0|2,0,0]=3 563 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [0,0,1,0,0,0|3,0,0]=4 564 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [0,0,1,0,0,0|3,0,0]=4 565 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [0,0,1,0,0,0|2,0,1]=4 566 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [0,0,1,0,0,0|2,0,1]=4 567 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,0,1,0,0,0|2,0,0]=3 568 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,0,1,0,0,0|2,0,0]=3 569 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,0,1,0,0,0|2,0,0]=3 570 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,0,1,0,0,0|2,0,0]=3 571 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [0,0,1,0,0,0|2,0,1]=4 572 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [0,0,1,0,0,0|2,0,1]=4 573 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [0,0,1,0,0,0|3,0,0]=4 574 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [0,0,1,0,0,0|3,0,0]=4 575 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [0,0,1,0,0,0|3,0,0]=4 576 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [0,0,1,0,0,0|3,0,0]=4 577 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [0,0,1,0,0,0|3,0,0]=4 578 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [0,0,1,0,0,0|3,0,0]=4 579 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [0,0,1,0,0,0|3,0,0]=4 580 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [0,0,1,0,0,0|3,0,0]=4 581 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [0,0,1,0,0,0|3,0,0]=4 582 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [0,0,1,0,0,0|3,0,0]=4 583 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [0,0,1,0,0,0|3,0,0]=4 584 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [0,0,1,0,0,0|3,0,0]=4 585 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [0,0,1,0,0,0|2,0,1]=4 586 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [0,0,1,0,0,0|2,0,1]=4 587 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [0,0,1,0,0,0|2,0,1]=4 588 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,0,1,0,0,0|2,0,0]=3 589 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,0,1,0,0,0|2,0,0]=3 590 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,0,1,0,0,0|2,0,0]=3 591 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [0,0,1,0,0,0|3,0,0]=4 592 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [0,0,1,0,0,0|3,0,0]=4 593 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [0,0,1,0,0,0|3,0,0]=4 594 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,0,1,0,0,0|3,0,0]=4 595 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,0,1,0,0,0|3,0,0]=4 596 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,0,1,0,0,0|3,0,0]=4 597 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [0,0,1,0,0,0|3,0,0]=4 598 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [0,0,1,0,0,0|3,0,0]=4 599 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [0,0,1,0,0,0|3,0,0]=4 600 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,0,1,0,0,0|2,0,0]=3 601 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [0,0,1,0,0,0|2,0,1]=4 602 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,0,1,0,0,0|2,0,0]=3 603 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,0,1,0,0,0|2,0,0]=3 604 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,0,1,0,0,0|2,0,0]=3 605 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,0,1,0,0,0|2,0,0]=3 606 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [0,0,1,0,0,0|2,0,1]=4 607 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [0,0,1,0,0,0|2,0,1]=4 608 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [0,0,1,0,0,0|3,0,0]=4 609 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [0,0,1,0,0,0|3,0,0]=4 610 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [0,0,1,0,0,0|3,0,0]=4 611 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [0,0,1,0,0,0|3,0,0]=4 612 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [0,0,1,0,0,0|3,0,0]=4 613 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,0,1,0,0,0|3,0,0]=4 614 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,0,1,0,0,0|3,0,0]=4 615 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,0,1,0,0,0|3,0,0]=4 616 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,0,1,0,0,0|2,0,0]=3 617 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,0,1,0,0,0|3,0,0]=4 618 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,0,1,0,0,0|3,0,0]=4 619 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [0,0,1,0,0,0|3,0,0]=4 620 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [0,0,1,0,0,0|3,0,0]=4 621 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,0,1,0,0,0|3,0,0]=4 622 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [0,0,1,0,0,0|2,0,1]=4 623 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [0,0,1,0,0,0|3,0,0]=4 624 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [0,0,1,0,0,0|3,0,0]=4 625 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [0,0,1,0,0,0|2,0,1]=4 626 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [0,0,1,0,0,0|2,0,1]=4 627 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [0,0,1,0,0,0|3,0,0]=4 628 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,0,1,0,0,0|3,0,0]=4 629 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,0,1,0,0,0|3,0,0]=4 630 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [0,0,1,0,0,0|3,0,0]=4 631 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [0,0,1,0,0,0|3,0,0]=4 632 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [0,0,1,0,0,0|2,0,1]=4 633 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [0,0,1,0,0,0|2,0,1]=4 634 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,0,1,0,0,0|2,0,0]=3 635 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,0,1,0,0,0|2,0,0]=3 636 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,0,1,0,0,0|3,0,0]=4 637 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,0,1,0,0,0|3,0,0]=4 638 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,0,1,0,0,0|3,0,0]=4 639 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,0,1,0,0,0|3,0,0]=4 640 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,0,1,0,0,0|3,0,0]=4 641 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,0,1,0,0,0|3,0,0]=4 642 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,0,1,0,0,0|3,0,0]=4 643 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,0,1,0,0,0|3,0,0]=4 644 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [0,0,1,0,0,0|3,0,0]=4 645 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [0,0,1,0,0,0|3,0,0]=4 646 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,0,1,0,0,0|2,0,0]=3 647 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,0,1,0,0,0|3,0,0]=4 648 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [0,0,1,0,0,0|3,0,0]=4 649 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [0,0,1,0,0,0|3,0,0]=4 650 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [0,0,1,0,0,0|3,0,0]=4 651 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [0,0,1,0,0,0|3,0,0]=4 652 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [0,0,1,0,0,0|2,0,1]=4 653 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,0,1,0,0,0|3,0,0]=4 654 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,0,1,0,0,0|3,0,0]=4 655 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,0,1,0,0,0|2,0,1]=4 656 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,0,1,0,0,0|2,0,1]=4 657 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [0,0,1,0,0,0|3,0,0]=4 658 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [0,0,1,0,0,0|3,0,0]=4 659 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [0,0,1,0,0,0|3,0,0]=4 660 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,0,1,0,0,0|3,0,0]=4 661 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,0,1,0,0,0|3,0,0]=4 662 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [0,0,1,0,0,0|3,0,0]=4 663 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [0,0,1,0,0,0|3,0,0]=4 664 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [0,0,1,0,0,0|2,0,1]=4 665 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [0,0,1,0,0,0|3,0,0]=4 666 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [0,0,1,0,0,0|3,0,0]=4 667 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [0,0,1,0,0,0|3,0,0]=4 668 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [0,0,1,0,0,0|3,0,0]=4 669 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,0,1,0,0,0|3,0,0]=4 670 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,0,1,0,0,0|3,0,0]=4 671 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [0,0,1,0,0,0|3,0,0]=4 672 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [0,0,1,0,0,0|3,0,0]=4 673 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [0,0,1,0,0,0|3,0,0]=4 674 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [0,0,1,0,0,0|3,0,0]=4 675 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [0,0,1,0,0,0|3,0,0]=4 676 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [0,0,1,0,0,0|3,0,0]=4 677 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [0,0,1,0,0,0|3,0,0]=4 678 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,0,1,0,0,0|3,0,0]=4 679 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,0,1,0,0,0|3,0,0]=4 680 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [0,0,1,0,0,0|3,0,0]=4 681 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [0,0,1,0,0,0|3,0,0]=4 682 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [0,0,1,0,0,0|3,0,0]=4 683 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,0,1,0,0,0|3,0,0]=4 684 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [0,0,1,0,0,0|3,0,0]=4 685 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [0,0,1,0,0,0|3,0,0]=4 686 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [0,0,1,0,0,0|3,0,0]=4 687 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [0,0,1,0,0,0|3,0,0]=4 688 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [0,0,1,0,0,0|3,0,0]=4 689 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [0,0,1,0,0,0|3,0,0]=4 690 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [0,0,1,0,0,0|3,0,0]=4 691 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [0,0,1,0,0,0|3,0,0]=4 692 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [0,0,1,0,0,0|2,0,1]=4 693 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [0,0,1,0,0,0|3,0,0]=4 694 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,0,1,0,0,0|2,0,0]=3 695 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,0,1,0,0,0|2,0,0]=3 696 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [0,0,1,0,0,0|3,0,0]=4 697 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [0,0,1,0,0,0|3,0,0]=4 698 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [0,0,1,0,0,0|2,0,1]=4 699 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [0,0,1,0,0,0|2,0,1]=4 700 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [0,0,1,0,0,0|2,0,1]=4 701 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [0,0,1,0,0,0|2,0,1]=4 702 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [0,0,1,0,0,0|2,0,1]=4 703 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [0,0,1,0,0,0|2,0,1]=4 704 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [0,0,1,0,0,0|2,0,1]=4 705 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [0,0,1,0,0,0|2,0,1]=4 706 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,0,1,0,0,0|2,0,0]=3 707 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,0,1,0,0,0|3,0,0]=4 708 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,0,1,0,0,0|2,0,0]=3 709 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,0,1,0,0,0|2,0,0]=3 710 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,0,1,0,0,0|2,0,0]=3 711 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,0,1,0,0,0|2,0,0]=3 712 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [0,0,1,0,0,0|2,0,1]=4 713 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [0,0,1,0,0,0|2,0,1]=4 714 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [0,0,1,0,0,0|2,0,1]=4 715 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [0,0,1,0,0,0|2,0,1]=4 716 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [0,0,1,0,0,0|3,0,0]=4 717 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [0,0,1,0,0,0|3,0,0]=4 718 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [0,0,1,0,0,0|1,0,2]=4 719 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [0,0,1,0,0,0|3,0,0]=4 720 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [0,0,1,0,0,0|1,0,2]=4 721 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [0,0,1,0,0,0|3,0,0]=4 722 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [0,0,1,0,0,0|3,0,0]=4 723 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,0,1,0,0,0|3,0,0]=4 724 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,0,1,0,0,0|3,0,0]=4 725 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,0,1,0,0,0|3,0,0]=4 726 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,0,1,0,0,0|3,0,0]=4 727 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,0,1,0,0,0|3,0,0]=4 728 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,0,1,0,0,0|3,0,0]=4 729 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,0,1,0,0,0|3,0,0]=4 730 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,0,1,0,0,0|3,0,0]=4 731 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,0,1,0,0,0|3,0,0]=4 732 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,0,1,0,0,0|2,0,0]=3 733 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [0,0,1,0,0,0|3,0,0]=4 734 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [0,0,1,0,0,0|3,0,0]=4 735 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [0,0,1,0,0,0|3,0,0]=4 736 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [0,0,1,0,0,0|3,0,0]=4 737 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,0,1,0,0,0|3,0,0]=4 738 B8R0.8 CC(SCCF)C(=O)N 62a_100000702099_100011217306 [0,0,1,0,0,0|3,0,0]=4 739 B8R0.8 CC(SCCF)C(=O)N 62a_100011217306_100000702099 [0,0,1,0,0,0|3,0,0]=4 740 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [0,0,1,0,0,0|3,0,0]=4 741 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [0,0,1,0,0,0|3,0,0]=4 742 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,0,1,0,0,0|1,0,2]=4 743 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,0,1,0,0,0|1,0,2]=4 744 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,0,1,0,0,0|1,0,0]=2 745 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,0,1,0,0,0|1,0,0]=2 746 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,0,1,0,0,0|1,0,0]=2 747 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [0,0,1,0,0,0|3,0,0]=4 748 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [0,0,1,0,0,0|3,0,0]=4 749 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [0,0,1,0,0,0|3,0,0]=4 750 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,0,1,0,0,0|2,0,0]=3 751 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,0,1,0,0,0|2,0,0]=3 752 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,0,1,0,0,0|2,0,0]=3 753 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,0,1,0,0,0|2,0,0]=3 754 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,0,1,0,0,0|2,0,0]=3 755 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,0,1,0,0,0|2,0,0]=3 756 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,0,1,0,0,0|1,0,0]=2 757 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,0,1,0,0,0|2,0,0]=3 758 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,0,1,0,0,0|2,0,0]=3 759 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,0,1,0,0,0|2,0,0]=3 760 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,0,1,0,0,0|2,0,0]=3 761 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,0,1,0,0,0|3,0,0]=4 762 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,0,1,0,0,0|2,0,1]=4 763 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,0,1,0,0,0|1,0,1]=3 764 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,0,1,0,0,0|2,0,0]=3 765 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,0,1,0,0,0|2,0,0]=3 766 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,0,1,0,0,0|2,0,0]=3 767 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,0,1,0,0,0|2,0,0]=3 768 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,0,1,0,0,0|2,0,0]=3 769 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,0,1,0,0,0|2,0,0]=3 770 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,0,1,0,0,0|3,0,0]=4 771 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,0,1,0,0,0|3,0,0]=4 772 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,0,1,0,0,0|2,0,1]=4 773 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,0,1,0,0,0|2,0,1]=4 774 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,0,1,0,0,0|1,0,0]=2 775 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,0,1,0,0,0|2,0,0]=3 776 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,0,1,0,0,0|2,0,0]=3 777 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,0,1,0,0,0|2,0,0]=3 778 B8R0.8 CCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210202 [0,0,1,0,0,0|2,0,1]=4 779 B8R0.8 CCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210202 [0,0,1,0,0,0|2,0,1]=4 780 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,0,1,0,0,0|3,0,0]=4 781 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [0,0,1,0,0,0|3,0,0]=4 782 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [0,0,1,0,0,0|3,0,0]=4 783 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [0,0,1,0,0,0|3,0,0]=4 784 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [0,0,1,0,0,0|3,0,0]=4 785 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,0,1,0,0,0|2,0,0]=3 786 B8R0.8 COCN[C@H](C)C(=O)N 2230a_100000119354_100000766300 [0,0,1,0,0,0|3,0,0]=4 787 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [0,0,1,0,0,0|3,0,0]=4 788 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [0,0,1,0,0,0|3,0,0]=4 789 B8R0.8 COCSC(C)C(=O)N 62a_100000702099_100000766300 [0,0,1,0,0,0|3,0,0]=4 790 B8R0.8 COCSC(C)C(=O)N 62a_100000766300_100000702099 [0,0,1,0,0,0|3,0,0]=4 791 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,0,1,0,0,0|3,0,0]=4 792 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,0,1,0,0,0|3,0,0]=4 793 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [0,0,1,0,0,0|3,0,0]=4 794 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [0,0,1,0,0,0|3,0,0]=4 795 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [0,0,1,0,0,0|3,0,0]=4 796 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [0,0,1,0,0,0|3,0,0]=4 797 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,0,1,0,0,0|2,0,0]=3 798 B8R0.8 CSCN[C@H](C)C(=O)N 2230a_100000119354_100011218213 [0,0,1,0,0,0|3,0,0]=4 799 B8R0.8 CSCN[C@H](C)C(=O)N 34a_100000119354_100011218213 [0,0,1,0,0,0|3,0,0]=4 800 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,0,1,0,0,0|3,0,0]=4 801 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [0,0,1,0,0,0|3,0,0]=4 802 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,0,1,0,0,0|3,0,0]=4 803 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,0,1,0,0,0|3,0,0]=4 804 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [0,0,1,0,0,0|3,0,0]=4 805 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [0,0,1,0,0,0|3,0,0]=4 806 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [0,0,1,0,0,0|3,0,0]=4 807 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [0,0,1,0,0,0|3,0,0]=4 808 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [0,0,1,0,0,0|3,0,0]=4 809 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [0,0,1,0,0,0|3,0,0]=4 810 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [0,0,1,0,0,0|3,0,0]=4 811 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [0,0,1,0,0,0|3,0,0]=4 812 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [0,0,1,0,0,0|3,0,0]=4 813 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [0,0,1,0,0,0|3,0,0]=4 814 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [0,0,1,0,0,0|2,0,1]=4 815 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [0,0,1,0,0,0|2,0,1]=4 816 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,0,1,0,0,0|2,0,0]=3 817 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,0,1,0,0,0|2,0,0]=3 818 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [0,0,1,0,0,0|2,0,1]=4 819 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [0,0,1,0,0,0|2,0,1]=4 820 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,0,1,0,0,0|3,0,0]=4 821 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [0,0,1,0,0,0|1,0,2]=4 822 B8R0.15 CCC(NCF)C(=O)N 34a_100000733705_100015361967 [0,0,1,0,0,0|3,0,0]=4 823 B8R0.15 CCC(SCF)C(=O)N 62a_100000750255_100015361967 [0,0,1,0,0,0|3,0,0]=4 824 B8R0.15 CCC(SCF)C(=O)N 62a_100015361967_100000750255 [0,0,1,0,0,0|3,0,0]=4 825 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,0,1,0,0,0|1,0,0]=2 826 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,0,1,0,0,0|1,0,0]=2 827 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,0,1,0,0,0|1,0,0]=2 828 B8R0.15 CCCC(CC)N(C)C 269982a_100102631434_100011219200 [0,0,1,0,0,0|3,0,0]=4 829 B8R0.15 CCCC(CC)N(C)C 270004a_100102631434_100000687865 [0,0,1,0,0,0|3,0,0]=4 830 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [0,0,1,0,0,0|2,0,0]=3 831 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [0,0,1,0,0,0|2,0,0]=3 832 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [0,0,1,0,0,0|2,0,0]=3 833 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [0,0,1,0,0,0|2,0,0]=3 834 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [0,0,1,0,0,0|2,0,0]=3 835 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [0,0,1,0,0,0|2,0,0]=3 836 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [0,0,1,0,0,0|2,0,0]=3 837 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [0,0,1,0,0,0|2,0,0]=3 838 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [0,0,1,0,0,0|2,0,0]=3 839 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [0,0,1,0,0,0|2,0,0]=3 840 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,0,1,0,0,0|1,0,0]=2 841 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [0,0,1,0,0,0|2,0,0]=3 842 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [0,0,1,0,0,0|2,0,0]=3 843 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,0,1,0,0,0|1,0,0]=2 844 B8R0.15 CCN(CCO)C(=O)C 240690a_100000210973_100015343762 [0,0,1,0,0,0|3,0,0]=4 845 B8R0.15 CCN(CCO)C(=O)C 527a_100000210973_100103153847 [0,0,1,0,0,0|3,0,0]=4 846 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [0,0,1,0,0,0|2,0,0]=3 847 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [0,0,1,0,0,0|2,0,0]=3 848 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [0,0,1,0,0,0|2,0,0]=3 849 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,0,1,0,0,0|2,0,0]=3 850 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210202 [0,0,1,0,0,0|2,0,1]=4 851 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210202 [0,0,1,0,0,0|2,0,1]=4 852 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [0,0,1,0,0,0|3,0,0]=4 853 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [0,0,1,0,0,0|3,0,0]=4 854 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,0,1,0,0,0|1,0,0]=2 855 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [0,0,1,0,0,0|2,0,0]=3 856 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [0,0,1,0,0,0|2,0,0]=3 857 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [0,0,1,0,0,0|2,0,0]=3 858 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [0,0,1,0,0,0|2,0,0]=3 859 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [0,0,1,0,0,0|2,0,0]=3 860 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [0,0,1,0,0,0|2,0,0]=3 861 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,0,1,0,0,0|2,0,0]=3 862 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,0,1,0,0,0|2,0,0]=3 863 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [0,0,1,0,0,0|2,0,0]=3 864 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [0,0,1,0,0,0|2,0,0]=3 865 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [0,0,1,0,0,0|3,0,0]=4 866 B10R2.62 CN1CC2CCC1CC2 2230a_100000750499_200000210301 [0,0,0,1,0,0|3,0,0]=4 867 B10R2.62 CN1CC2CCC1CC2 269982a_100000750499_200000210301 [0,0,0,1,0,0|3,0,0]=4 868 B10R2.62 CN1CC2CCC1CC2 34a_100000750499_200000210301 [0,0,0,1,0,0|3,0,0]=4 869 B10R2.62 [13CH3]N1CC2CCC1CC2 2230a_100000750499_200025704644 [0,0,0,1,0,0|3,0,0]=4 870 B10R2.62 [13CH3]N1CC2CCC1CC2 269982a_100000750499_200025704644 [0,0,0,1,0,0|3,0,0]=4 871 B10R2.62 [13CH3]N1CC2CCC1CC2 34a_100000750499_200025704644 [0,0,0,1,0,0|3,0,0]=4 872 B10R2.351 CC(=O)C1C2C1COC2 1458a_100000138910_200000210301 [0,0,0,1,0,0|2,0,0]=3 873 B10R2.351 [13CH3]C(=O)C1C2C1COC2 1458a_100000138910_200025704644 [0,0,0,1,0,0|2,0,0]=3 874 B10R2.355 CN(C)C1CCC2C1C2 270004a_100102631434_100000692480 [0,0,0,1,0,0|3,0,0]=4 875 B10R2.357 CC(=O)N1CC2CC2C1 11a_100000741873_100015343762 [0,0,0,1,0,0|2,0,0]=3 876 B10R2.357 CC(=O)N1CC2CC2C1 1626a_100000741873_100015343762 [0,0,0,1,0,0|2,0,0]=3 877 B10R2.357 CC(=O)N1CC2CC2C1 240690a_100000741873_100015343762 [0,0,0,1,0,0|2,0,0]=3 878 B10R2.357 CC(=O)N1CC2CC2C1 527a_100000741873_100103153847 [0,0,0,1,0,0|2,0,0]=3 879 B10R2.357 CN(C)C1CC2CC2C1 270004a_100102631434_100010340937 [0,0,0,1,0,0|3,0,0]=4 880 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,0,0,1,0|1,0,2]=4 881 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,0,0,0,1,0|1,0,2]=4 882 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,0,0,0,1,0|1,0,0]=2 883 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,0,0,0,1,0|1,0,0]=2 884 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,0,0,0,1,0|2,0,0]=3 885 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,0,0,0,1,0|2,0,0]=3 886 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,0,0,0,1,0|2,0,0]=3 887 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,0,0,0,1,0|2,0,0]=3 888 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,0,0,0,1,0|2,0,0]=3 889 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [0,0,0,0,1,0|3,0,0]=4 890 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [0,0,0,0,1,0|3,0,0]=4 891 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [0,0,0,0,1,0|3,0,0]=4 892 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,0,0,0,1,0|2,0,0]=3 893 B8R1.7 CN(C)C1CCCC1 2230a_100000207505_200000210301 [0,0,0,0,1,0|3,0,0]=4 894 B8R1.7 CN(C)C1CCCC1 2230a_100102631434_100000179811 [0,0,0,0,1,0|3,0,0]=4 895 B8R1.7 CN(C)C1CCCC1 269982a_100000207505_200000210301 [0,0,0,0,1,0|3,0,0]=4 896 B8R1.7 CN(C)C1CCCC1 269982a_100102631434_100000179811 [0,0,0,0,1,0|3,0,0]=4 897 B8R1.7 CN(C)C1CCCC1 270004a_100102631434_100000210133 [0,0,0,0,1,0|3,0,0]=4 898 B8R1.7 CN(C)C1CCCC1 34a_100000207505_200000210301 [0,0,0,0,1,0|3,0,0]=4 899 B8R1.7 CN([13CH3])C1CCCC1 2230a_100000207505_200025704644 [0,0,0,0,1,0|3,0,0]=4 900 B8R1.7 CN([13CH3])C1CCCC1 269982a_100000207505_200025704644 [0,0,0,0,1,0|3,0,0]=4 901 B8R1.7 CN([13CH3])C1CCCC1 34a_100000207505_200025704644 [0,0,0,0,1,0|3,0,0]=4 902 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,0,0,1,0|1,0,2]=4 903 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,0,0,0,1,0|1,0,2]=4 904 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,0,0,0,1,0|1,0,0]=2 905 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,0,0,0,1,0|2,0,0]=3 906 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,0,0,0,1,0|2,0,0]=3 907 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,0,0,0,1,0|2,0,0]=3 908 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [0,0,0,0,0,1|1,0,1]=3 909 B10R1.18 CC(=O)C=C1CCOCC1 1458a_100000761426_200000210301 [0,0,0,0,0,1|2,0,1]=4 910 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [0,0,0,0,0,1|1,0,2]=4 911 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,0,0,0,0,1|1,0,0]=2 912 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,0,0,0,0,1|1,0,0]=2 913 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,0,0,0,0,1|2,0,0]=3 914 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,0,0,0,0,1|2,0,0]=3 915 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,0,0,0,0,1|2,0,0]=3 916 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,0,0,0,0,1|2,0,0]=3 917 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [0,0,0,0,0,1|2,0,0]=3 918 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [0,0,0,0,0,1|2,0,0]=3 919 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [0,0,0,0,0,1|2,0,0]=3 920 B10R1.18 CC(=O)CN1CCOCC1 1458a_100000740321_200000210301 [0,0,0,0,0,1|3,0,0]=4 921 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,0,0,0,0,1|1,0,0]=2 922 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,0,0,0,0,1|1,0,0]=2 923 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,0,0,0,0,1|1,0,0]=2 924 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,0,0,0,0,1|1,0,0]=2 925 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [0,0,0,0,0,1|2,0,0]=3 926 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [0,0,0,0,0,1|2,0,0]=3 927 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [0,0,0,0,0,1|2,0,0]=3 928 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [0,0,0,0,0,1|2,0,0]=3 929 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [0,0,0,0,0,1|2,0,0]=3 930 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [0,0,0,0,0,1|2,0,0]=3 931 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [0,0,0,0,0,1|2,0,0]=3 932 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [0,0,0,0,0,1|2,0,0]=3 933 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [0,0,0,0,0,1|2,0,0]=3 934 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [0,0,0,0,0,1|2,0,0]=3 935 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [0,0,0,0,0,1|2,0,0]=3 936 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [0,0,0,0,0,1|2,0,0]=3 937 B10R1.18 CC(C)NC1CCCCC1 2230a_100000182618_100000210206 [0,0,0,0,0,1|2,0,1]=4 938 B10R1.18 CC(C)NC1CCCCC1 34a_100000182618_100000210206 [0,0,0,0,0,1|2,0,1]=4 939 B10R1.18 CC(C)NC1CCCCC1 34a_100138425928_100000210327 [0,0,0,0,0,1|2,0,1]=4 940 B10R1.18 CC(C)OC1CCCCC1 34a_100000210231_100000210206 [0,0,0,0,0,1|2,0,1]=4 941 B10R1.18 CC(C)OC1CCCCC1 34a_100000212225_100000210327 [0,0,0,0,0,1|2,0,1]=4 942 B10R1.18 CC(C)OC1CCCCC1 7a_100000210231_100000210206 [0,0,0,0,0,1|2,0,1]=4 943 B10R1.18 CC(C)SC1CCCCC1 62a_100000210206_100000210327 [0,0,0,0,0,1|2,0,1]=4 944 B10R1.18 CC(C)SC1CCCCC1 62a_100000210327_100000210206 [0,0,0,0,0,1|2,0,1]=4 945 B10R1.18 CN(C)CC1CCCCC1 2230a_100000736448_200000210301 [0,0,0,0,0,1|3,0,0]=4 946 B10R1.18 CN(C)CC1CCCCC1 2230a_100102631434_100000211423 [0,0,0,0,0,1|3,0,0]=4 947 B10R1.18 CN(C)CC1CCCCC1 269982a_100000736448_200000210301 [0,0,0,0,0,1|3,0,0]=4 948 B10R1.18 CN(C)CC1CCCCC1 269982a_100102631434_100000211423 [0,0,0,0,0,1|3,0,0]=4 949 B10R1.18 CN(C)CC1CCCCC1 34a_100000736448_200000210301 [0,0,0,0,0,1|3,0,0]=4 950 B10R1.18 CN([13CH3])CC1CCCCC1 2230a_100000736448_200025704644 [0,0,0,0,0,1|3,0,0]=4 951 B10R1.18 CN([13CH3])CC1CCCCC1 269982a_100000736448_200025704644 [0,0,0,0,0,1|3,0,0]=4 952 B10R1.18 CN([13CH3])CC1CCCCC1 34a_100000736448_200025704644 [0,0,0,0,0,1|3,0,0]=4 953 B10R1.18 NC(=O)CN1CCCOC1 2230a_100000131196_100000747473 [0,0,0,0,0,1|3,0,0]=4 954 B10R1.18 NC(=O)CN1CCCOC1 269982a_100000131196_100000187820 [0,0,0,0,0,1|3,0,0]=4 955 B10R1.18 NC(=O)CN1CCCOC1 34a_100000131196_100000187820 [0,0,0,0,0,1|3,0,0]=4 956 B10R1.18 NC(=O)CN1CCOCC1 2230a_100015191051_100000747473 [0,0,0,0,0,1|3,0,0]=4 957 B10R1.18 NC(=O)CN1CCOCC1 269982a_100015191051_100000187820 [0,0,0,0,0,1|3,0,0]=4 958 B10R1.18 NC(=O)CN1CCOCC1 34a_100015191051_100000187820 [0,0,0,0,0,1|3,0,0]=4 959 B10R1.18 NC(=O)CN1CCSCC1 2230a_100000737611_100000747473 [0,0,0,0,0,1|3,0,0]=4 960 B10R1.18 NC(=O)CN1CCSCC1 269982a_100000737611_100000187820 [0,0,0,0,0,1|3,0,0]=4 961 B10R1.18 O=C([O-])CN1CCCOC1 269982a_100000131196_100020667443 [0,0,0,0,0,1|2,0,1]=4 962 B10R1.18 O=C([O-])CN1CCCOC1 34a_100000131196_100020667443 [0,0,0,0,0,1|2,0,1]=4 963 B10R1.18 O=C([O-])CN1CCOCC1 269982a_100015191051_100020667443 [0,0,0,0,0,1|2,0,1]=4 964 B10R1.18 O=C([O-])CN1CCOCC1 34a_100015191051_100020667443 [0,0,0,0,0,1|2,0,1]=4 965 B10R1.18 O=C([O-])CN1CCSCC1 269982a_100000737611_100020667443 [0,0,0,0,0,1|2,0,1]=4 966 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [0,0,0,0,0,1|1,0,1]=3 967 B10R1.18 [13CH3]C(=O)C=C1CCOCC1 1458a_100000761426_200025704644 [0,0,0,0,0,1|2,0,1]=4 968 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [0,0,0,0,0,1|1,0,2]=4 969 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,0,0,0,0,1|1,0,0]=2 970 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,0,0,0,0,1|2,0,0]=3 971 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,0,0,0,0,1|2,0,0]=3 972 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [0,0,0,0,0,1|2,0,0]=3 973 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [0,0,0,0,0,1|2,0,0]=3 974 B10R1.18 [13CH3]C(=O)CN1CCOCC1 1458a_100000740321_200025704644 [0,0,0,0,0,1|3,0,0]=4 975 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [0,0,0,0,0,1|1,0,1]=3 976 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,0,0,0,0,1|1,0,0]=2 977 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,0,0,0,0,1|1,0,0]=2 978 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,0,0,0,0,1|2,0,0]=3 979 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,0,0,0,0,1|2,0,0]=3 980 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,0,0,0,0,1|2,0,0]=3 981 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,0,0,0,0,1|2,0,0]=3 982 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [0,0,0,0,0,1|2,0,0]=3 983 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [0,0,0,0,0,1|2,0,0]=3 984 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [0,0,0,0,0,1|2,0,0]=3 985 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [0,0,0,0,0,1|2,0,0]=3 986 B10R1.348 CN(C)C1CCCCCC1 2230a_100015185097_200000210301 [0,0,0,0,0,1|3,0,0]=4 987 B10R1.348 CN(C)C1CCCCCC1 269982a_100015185097_200000210301 [0,0,0,0,0,1|3,0,0]=4 988 B10R1.348 CN(C)C1CCCCCC1 269982a_100102631434_100011217769 [0,0,0,0,0,1|3,0,0]=4 989 B10R1.348 CN(C)C1CCCCCC1 270004a_100102631434_100000210131 [0,0,0,0,0,1|3,0,0]=4 990 B10R1.348 CN(C)C1CCCCCC1 34a_100015185097_200000210301 [0,0,0,0,0,1|3,0,0]=4 991 B10R1.348 CN(C)C1CCCNCC1 270004a_100102631434_100015187895 [0,0,0,0,0,1|3,0,0]=4 992 B10R1.348 CN([13CH3])C1CCCCCC1 2230a_100015185097_200025704644 [0,0,0,0,0,1|3,0,0]=4 993 B10R1.348 CN([13CH3])C1CCCCCC1 269982a_100015185097_200025704644 [0,0,0,0,0,1|3,0,0]=4 994 B10R1.348 CN([13CH3])C1CCCCCC1 34a_100015185097_200025704644 [0,0,0,0,0,1|3,0,0]=4 995 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [0,0,0,0,0,1|1,0,1]=3 996 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,0,0,0,0,1|1,0,0]=2 997 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,0,1,0,0,0|2,0,0]=4 998 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,0,1,0,0,0|2,0,0]=4 999 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,0,1,0,0,0|2,0,0]=4 1000 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,0,1,0,0,0|2,0,0]=4 1001 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,0,1,0,0,0|2,0,0]=4 1002 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,0,1,0,0,0|2,0,0]=4 1003 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,0,1,0,0,0|2,0,0]=4 1004 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,1,0,0,0|2,0,0]=4 1005 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,1,0,0,0|2,0,0]=4 1006 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,1,0,0,0|2,0,0]=4 1007 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,1,0,0,0|2,0,0]=4 1008 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,1,0,0,0|2,0,0]=4 1009 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,0,1,0,0,0|2,0,0]=4 1010 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,0,1,0,0,0|2,0,0]=4 1011 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,0,1,0,0,0|2,0,0]=4 1012 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,0,1,0,0,0|2,0,0]=4 1013 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,0,1,0,0,0|2,0,0]=4 1014 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,0,1,0,0,0|2,0,0]=4 1015 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,0,1,0,0,0|2,0,0]=4 1016 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,0,1,0,0,0|2,0,0]=4 1017 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,0,1,0,0,0|2,0,0]=4 1018 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,0,1,0,0,0|2,0,0]=4 1019 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,0,1,0,0,0|2,0,0]=4 1020 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,0,1,0,0,0|2,0,0]=4 1021 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,0,1,0,0,0|2,0,0]=4 1022 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,0,1,0,0,0|2,0,0]=4 1023 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,0,1,0,0,0|2,0,0]=4 1024 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,0,1,0,0,0|2,0,0]=4 1025 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,0,1,0,0,0|2,0,0]=4 1026 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,0,1,0,0,0|2,0,0]=4 1027 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,0,1,0,0,0|2,0,0]=4 1028 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,0,1,0,0,0|2,0,0]=4 1029 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,1,0,0,0|2,0,0]=4 1030 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,1,0,0,0|2,0,0]=4 1031 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,1,0,0,0|2,0,0]=4 1032 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,0,1,0,0,0|2,0,0]=4 1033 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,0,1,0,0,0|2,0,0]=4 1034 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,1,0,0,0|2,0,0]=4 1035 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,1,0,0,0|2,0,0]=4 1036 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,1,0,0,0|2,0,0]=4 1037 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,1,0,0,0|2,0,0]=4 1038 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,1,0,0,0|2,0,0]=4 1039 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,1,0,0,0|2,0,0]=4 1040 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,1,0,0,0|2,0,0]=4 1041 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,1,0,0,0|2,0,0]=4 1042 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,1,0,0,0|2,0,0]=4 1043 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,1,0,0,0|2,0,0]=4 1044 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,1,0,0,0|2,0,0]=4 1045 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,1,0,0,0|2,0,0]=4 1046 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,1,0,0,0|2,0,0]=4 1047 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,1,0,0,0|2,0,0]=4 1048 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,0,1,0,0,0|1,0,0]=3 1049 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,0,1,0,0,0|1,0,0]=3 1050 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,0,1,0,0,0|1,0,1]=4 1051 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,0,1,0,0,0|1,0,1]=4 1052 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,0,1,0,0,0|1,0,1]=4 1053 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,0,1,0,0,0|1,0,1]=4 1054 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,1,0,0,0|1,0,0]=3 1055 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,1,0,0,0|1,0,0]=3 1056 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,0,1,0,0,0|1,0,1]=4 1057 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,0,1,0,0,0|1,0,1]=4 1058 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,0,1,0,0,0|1,0,0]=3 1059 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,0,1,0,0,0|1,0,0]=3 1060 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,0,1,0,0,0|1,0,1]=4 1061 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,0,1,0,0,0|1,0,1]=4 1062 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,0,1,0,0,0|1,0,1]=4 1063 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,0,1,0,0,0|1,0,1]=4 1064 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,0,1,0,0,0|1,0,1]=4 1065 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,0,1,0,0,0|1,0,0]=3 1066 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,0,1,0,0,0|1,0,1]=4 1067 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,0,1,0,0,0|1,0,1]=4 1068 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,0,1,0,0,0|1,0,1]=4 1069 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,0,1,0,0,0|1,0,1]=4 1070 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [1,0,1,0,0,0|2,0,0]=4 1071 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [1,0,1,0,0,0|2,0,0]=4 1072 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,0,1,0,0,0|1,0,0]=3 1073 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,0,1,0,0,0|1,0,0]=3 1074 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,0,1,0,0,0|1,0,1]=4 1075 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,0,1,0,0,0|1,0,1]=4 1076 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,1,0,0,0|1,0,0]=3 1077 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,1,0,0,0|1,0,0]=3 1078 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,0,1,0,0,0|1,0,1]=4 1079 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,0,1,0,0,0|1,0,1]=4 1080 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,0,1,0,0,0|1,0,1]=4 1081 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,0,1,0,0,0|1,0,1]=4 1082 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,0,1,0,0,0|1,0,1]=4 1083 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,0,1,0,0,0|1,0,1]=4 1084 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [1,0,1,0,0,0|2,0,0]=4 1085 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [1,0,1,0,0,0|2,0,0]=4 1086 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [1,0,1,0,0,0|2,0,0]=4 1087 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [1,0,1,0,0,0|2,0,0]=4 1088 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,1,0,0,0|1,0,0]=3 1089 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,1,0,0,0|1,0,0]=3 1090 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,0,1,0,0,0|1,0,1]=4 1091 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,0,1,0,0,0|1,0,1]=4 1092 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [1,0,1,0,0,0|2,0,0]=4 1093 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [1,0,1,0,0,0|2,0,0]=4 1094 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [1,0,1,0,0,0|2,0,0]=4 1095 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [1,0,1,0,0,0|2,0,0]=4 1096 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [1,0,1,0,0,0|2,0,0]=4 1097 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [1,0,1,0,0,0|2,0,0]=4 1098 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [1,0,1,0,0,0|2,0,0]=4 1099 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [1,0,1,0,0,0|2,0,0]=4 1100 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [1,0,1,0,0,0|2,0,0]=4 1101 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [1,0,1,0,0,0|2,0,0]=4 1102 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [1,0,1,0,0,0|2,0,0]=4 1103 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [1,0,1,0,0,0|2,0,0]=4 1104 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [1,0,1,0,0,0|2,0,0]=4 1105 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [1,0,1,0,0,0|2,0,0]=4 1106 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [1,0,1,0,0,0|2,0,0]=4 1107 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [1,0,1,0,0,0|2,0,0]=4 1108 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [1,0,1,0,0,0|2,0,0]=4 1109 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,0,1,0,0,0|1,0,1]=4 1110 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,0,1,0,0,0|1,0,1]=4 1111 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,1,0,0,0|1,0,0]=3 1112 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,1,0,0,0|1,0,0]=3 1113 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,0,1,0,0,0|1,0,1]=4 1114 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,0,1,0,0,0|1,0,1]=4 1115 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,1,0,0,0|2,0,0]=4 1116 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,1,0,0,0|2,0,0]=4 1117 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,1,0,0,0|2,0,0]=4 1118 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,1,0,0,0|2,0,0]=4 1119 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,1,0,0,0|2,0,0]=4 1120 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,1,0,0,0|2,0,0]=4 1121 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,1,0,0,0|2,0,0]=4 1122 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,1,0,0,0|1,0,0]=3 1123 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,1,0,0,0|1,0,0]=3 1124 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,1,0,0,0|1,0,0]=3 1125 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,1,0,0,0|2,0,0]=4 1126 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,1,0,0,0|2,0,0]=4 1127 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,1,0,0,0|2,0,0]=4 1128 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,1,0,0,0|2,0,0]=4 1129 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,1,0,0,0|2,0,0]=4 1130 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,1,0,0,0|1,0,0]=3 1131 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,1,0,0,0|2,0,0]=4 1132 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,1,0,0,0|2,0,0]=4 1133 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,1,0,0,0|2,0,0]=4 1134 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,1,0,0,0|2,0,0]=4 1135 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,1,0,0,0|1,0,1]=4 1136 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,1,0,0,0|2,0,0]=4 1137 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,1,0,0,0|2,0,0]=4 1138 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,1,0,0,0|2,0,0]=4 1139 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,1,0,0,0|2,0,0]=4 1140 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,1,0,0,0|1,0,1]=4 1141 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,1,0,0,0|1,0,1]=4 1142 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,1,0,0,0|2,0,0]=4 1143 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,1,0,0,0|2,0,0]=4 1144 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,1,0,0,0|2,0,0]=4 1145 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,1,0,0,0|2,0,0]=4 1146 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,1,0,0,0|2,0,0]=4 1147 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,1,0,0,0|2,0,0]=4 1148 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,1,0,0,0|2,0,0]=4 1149 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,1,0,0,0|2,0,0]=4 1150 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,1,0,0,0|2,0,0]=4 1151 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,1,0,0,0|2,0,0]=4 1152 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,1,0,0,0|2,0,0]=4 1153 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,1,0,0,0|2,0,0]=4 1154 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,1,0,0,0|2,0,0]=4 1155 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,1,0,0,0|2,0,0]=4 1156 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,1,0,0,0|2,0,0]=4 1157 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,1,0,0,0|2,0,0]=4 1158 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,1,0,0,0|2,0,0]=4 1159 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,1,0,0,0|2,0,0]=4 1160 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,1,0,0,0|2,0,0]=4 1161 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,1,0,0,0|2,0,0]=4 1162 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,1,0,0,0|2,0,0]=4 1163 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,1,0,0,0|2,0,0]=4 1164 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,1,0,0,0|2,0,0]=4 1165 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,1,0,0,0|2,0,0]=4 1166 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,1,0,0,0|2,0,0]=4 1167 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,1,0,0,0|2,0,0]=4 1168 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,1,0,0,0|2,0,0]=4 1169 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,1,0,0,0|2,0,0]=4 1170 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,1,0,0,0|2,0,0]=4 1171 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,1,0,0,0|2,0,0]=4 1172 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,1,0,0,0|2,0,0]=4 1173 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,1,0,0,0|2,0,0]=4 1174 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,1,0,0,0|2,0,0]=4 1175 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,1,0,0,0|2,0,0]=4 1176 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,1,0,0,0|2,0,0]=4 1177 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,1,0,0,0|2,0,0]=4 1178 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,1,0,0,0|2,0,0]=4 1179 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,1,0,0,0|2,0,0]=4 1180 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,1,0,0,0|2,0,0]=4 1181 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,1,0,0,0|2,0,0]=4 1182 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,1,0,0,0|2,0,0]=4 1183 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,1,0,0,0|2,0,0]=4 1184 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,1,0,0,0|2,0,0]=4 1185 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [1,0,1,0,0,0|2,0,0]=4 1186 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [1,0,1,0,0,0|2,0,0]=4 1187 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [1,0,1,0,0,0|2,0,0]=4 1188 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [1,0,1,0,0,0|2,0,0]=4 1189 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [1,0,1,0,0,0|1,0,1]=4 1190 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [1,0,1,0,0,0|1,0,1]=4 1191 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,0,1,0,0,0|2,0,0]=4 1192 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,0,1,0,0,0|2,0,0]=4 1193 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,0,1,0,0,0|2,0,0]=4 1194 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,0,1,0,0,0|2,0,0]=4 1195 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,0,1,0,0,0|2,0,0]=4 1196 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,0,1,0,0,0|2,0,0]=4 1197 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,0,1,0,0,0|2,0,0]=4 1198 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,0,1,0,0,0|2,0,0]=4 1199 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,0,1,0,0,0|2,0,0]=4 1200 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,0,1,0,0,0|2,0,0]=4 1201 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,0,1,0,0,0|2,0,0]=4 1202 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,0,1,0,0,0|2,0,0]=4 1203 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,0,1,0,0,0|2,0,0]=4 1204 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,0,1,0,0,0|2,0,0]=4 1205 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,0,1,0,0,0|2,0,0]=4 1206 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [1,0,1,0,0,0|1,0,1]=4 1207 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [1,0,1,0,0,0|1,0,1]=4 1208 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [1,0,1,0,0,0|1,0,1]=4 1209 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [1,0,1,0,0,0|1,0,1]=4 1210 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [1,0,1,0,0,0|1,0,1]=4 1211 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [1,0,1,0,0,0|1,0,1]=4 1212 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [1,0,1,0,0,0|1,0,1]=4 1213 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [1,0,1,0,0,0|1,0,1]=4 1214 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [1,0,1,0,0,0|1,0,1]=4 1215 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [1,0,1,0,0,0|1,0,1]=4 1216 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [1,0,1,0,0,0|1,0,1]=4 1217 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [1,0,1,0,0,0|1,0,1]=4 1218 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,0,1,0,0,0|2,0,0]=4 1219 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,0,1,0,0,0|2,0,0]=4 1220 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,0,1,0,0,0|2,0,0]=4 1221 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,0,1,0,0,0|1,0,0]=3 1222 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,0,1,0,0,0|1,0,0]=3 1223 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,0,1,0,0,0|1,0,0]=3 1224 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,0,1,0,0,0|1,0,0]=3 1225 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,0,1,0,0,0|2,0,0]=4 1226 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,0,1,0,0,0|2,0,0]=4 1227 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,0,1,0,0,0|2,0,0]=4 1228 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,0,1,0,0,0|2,0,0]=4 1229 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,0,1,0,0,0|2,0,0]=4 1230 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,0,1,0,0,0|2,0,0]=4 1231 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,0,1,0,0,0|2,0,0]=4 1232 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [1,0,1,0,0,0|2,0,0]=4 1233 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,0,1,0,0,0|1,0,0]=3 1234 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [1,0,1,0,0,0|2,0,0]=4 1235 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [1,0,1,0,0,0|2,0,0]=4 1236 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,0,1,0,0,0|2,0,0]=4 1237 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,0,1,0,0,0|2,0,0]=4 1238 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [1,0,1,0,0,0|2,0,0]=4 1239 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,0,1,0,0,0|2,0,0]=4 1240 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [1,0,1,0,0,0|1,0,1]=4 1241 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [1,0,1,0,0,0|2,0,0]=4 1242 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [1,0,1,0,0,0|2,0,0]=4 1243 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,0,1,0,0,0|2,0,0]=4 1244 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,0,1,0,0,0|2,0,0]=4 1245 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,0,1,0,0,0|2,0,0]=4 1246 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [1,0,1,0,0,0|2,0,0]=4 1247 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [1,0,1,0,0,0|2,0,0]=4 1248 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,0,1,0,0,0|2,0,0]=4 1249 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,0,1,0,0,0|1,0,0]=3 1250 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,0,1,0,0,0|2,0,0]=4 1251 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,0,1,0,0,0|2,0,0]=4 1252 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,0,1,0,0,0|2,0,0]=4 1253 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,0,1,0,0,0|2,0,0]=4 1254 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,0,1,0,0,0|2,0,0]=4 1255 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,0,1,0,0,0|2,0,0]=4 1256 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,0,1,0,0,0|2,0,0]=4 1257 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,0,1,0,0,0|2,0,0]=4 1258 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [1,0,1,0,0,0|2,0,0]=4 1259 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,0,1,0,0,0|2,0,0]=4 1260 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [1,0,1,0,0,0|2,0,0]=4 1261 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [1,0,1,0,0,0|2,0,0]=4 1262 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [1,0,1,0,0,0|2,0,0]=4 1263 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [1,0,1,0,0,0|2,0,0]=4 1264 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [1,0,1,0,0,0|2,0,0]=4 1265 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [1,0,1,0,0,0|2,0,0]=4 1266 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [1,0,1,0,0,0|2,0,0]=4 1267 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [1,0,1,0,0,0|2,0,0]=4 1268 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [1,0,1,0,0,0|2,0,0]=4 1269 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [1,0,1,0,0,0|2,0,0]=4 1270 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [1,0,1,0,0,0|2,0,0]=4 1271 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [1,0,1,0,0,0|2,0,0]=4 1272 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [1,0,1,0,0,0|2,0,0]=4 1273 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [1,0,1,0,0,0|2,0,0]=4 1274 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [1,0,1,0,0,0|2,0,0]=4 1275 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [1,0,1,0,0,0|2,0,0]=4 1276 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [1,0,1,0,0,0|2,0,0]=4 1277 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [1,0,1,0,0,0|2,0,0]=4 1278 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [1,0,1,0,0,0|1,0,1]=4 1279 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [1,0,1,0,0,0|1,0,1]=4 1280 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [1,0,1,0,0,0|1,0,1]=4 1281 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [1,0,1,0,0,0|1,0,1]=4 1282 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [1,0,1,0,0,0|1,0,1]=4 1283 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [1,0,1,0,0,0|1,0,0]=3 1284 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [1,0,1,0,0,0|1,0,0]=3 1285 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [1,0,1,0,0,0|1,0,0]=3 1286 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [1,0,1,0,0,0|2,0,0]=4 1287 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [1,0,1,0,0,0|2,0,0]=4 1288 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [1,0,1,0,0,0|2,0,0]=4 1289 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [1,0,1,0,0,0|2,0,0]=4 1290 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [1,0,1,0,0,0|2,0,0]=4 1291 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [1,0,1,0,0,0|2,0,0]=4 1292 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [1,0,1,0,0,0|2,0,0]=4 1293 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [1,0,1,0,0,0|2,0,0]=4 1294 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [1,0,1,0,0,0|2,0,0]=4 1295 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [1,0,1,0,0,0|2,0,0]=4 1296 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [1,0,1,0,0,0|2,0,0]=4 1297 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [1,0,1,0,0,0|2,0,0]=4 1298 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [1,0,1,0,0,0|2,0,0]=4 1299 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [1,0,1,0,0,0|2,0,0]=4 1300 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [1,0,1,0,0,0|2,0,0]=4 1301 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [1,0,1,0,0,0|2,0,0]=4 1302 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [1,0,1,0,0,0|2,0,0]=4 1303 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [1,0,1,0,0,0|2,0,0]=4 1304 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [1,0,1,0,0,0|1,0,0]=3 1305 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [1,0,1,0,0,0|1,0,0]=3 1306 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [1,0,1,0,0,0|2,0,0]=4 1307 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [1,0,1,0,0,0|2,0,0]=4 1308 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [0,1,1,0,0,0|1,0,1]=4 1309 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,1,1,0,0,0|1,0,1]=4 1310 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,1,1,0,0,0|1,0,1]=4 1311 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,1,1,0,0,0|1,0,1]=4 1312 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,1,1,0,0,0|2,0,0]=4 1313 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,1,1,0,0,0|2,0,0]=4 1314 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,1,1,0,0,0|2,0,0]=4 1315 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,1,1,0,0,0|2,0,0]=4 1316 B9R0.1 CCC(C)CNCC(=O)N 2230a_100000711301_100000748023 [0,1,1,0,0,0|2,0,0]=4 1317 B9R0.1 CCC(C)CNCC(=O)N 2230a_100020588543_100000747473 [0,1,1,0,0,0|2,0,0]=4 1318 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,1,1,0,0,0|1,0,0]=3 1319 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [0,1,1,0,0,0|2,0,0]=4 1320 B9R0.1 CCC(C)CSCC(=O)N 62a_100000747473_100000748023 [0,1,1,0,0,0|2,0,0]=4 1321 B9R0.1 CCC(C)CSCC(=O)N 62a_100000748023_100000747473 [0,1,1,0,0,0|2,0,0]=4 1322 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100000748023_100020667443 [0,1,1,0,0,0|1,0,1]=4 1323 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100020667443_100000748023 [0,1,1,0,0,0|1,0,1]=4 1324 B9R0.1 CCC(C)NCCC(=O)N 2230a_100000209981_100000744528 [0,1,1,0,0,0|2,0,0]=4 1325 B9R0.1 CCC(C)NOCC(=O)O 269956a_100000106656_100000758301 [0,1,1,0,0,0|2,0,0]=4 1326 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,1,1,0,0,0|2,0,0]=4 1327 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,1,1,0,0,0|2,0,0]=4 1328 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,1,1,0,0,0|2,0,0]=4 1329 B9R0.1 CCC(C)OCCC(=O)N 34a_100000757172_100011215416 [0,1,1,0,0,0|2,0,0]=4 1330 B9R0.1 CCC(C)OCCC(=O)N 7a_100000210228_100000744528 [0,1,1,0,0,0|2,0,0]=4 1331 B9R0.1 CCC(C)OCCC(=O)N 7a_100000757172_100000758301 [0,1,1,0,0,0|2,0,0]=4 1332 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,1,1,0,0,0|2,0,0]=4 1333 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,1,1,0,0,0|2,0,0]=4 1334 B9R0.1 CCC(C)SCCC(=O)N 62a_100000744528_100000758301 [0,1,1,0,0,0|2,0,0]=4 1335 B9R0.1 CCC(C)SCCC(=O)N 62a_100000758301_100000744528 [0,1,1,0,0,0|2,0,0]=4 1336 B9R0.1 CCC(O)CNCC(=O)N 2230a_100000711301_100011218378 [0,1,1,0,0,0|2,0,0]=4 1337 B9R0.1 CCC(O)CNCC(=O)N 2230a_100011218483_100000747473 [0,1,1,0,0,0|2,0,0]=4 1338 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [0,1,1,0,0,0|1,0,0]=3 1339 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [0,1,1,0,0,0|2,0,0]=4 1340 B9R0.1 CCC(O)CSCC(=O)N 62a_100000747473_100011218378 [0,1,1,0,0,0|2,0,0]=4 1341 B9R0.1 CCC(O)CSCC(=O)N 62a_100011218378_100000747473 [0,1,1,0,0,0|2,0,0]=4 1342 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100011218378_100020667443 [0,1,1,0,0,0|1,0,1]=4 1343 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100020667443_100011218378 [0,1,1,0,0,0|1,0,1]=4 1344 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,1,1,0,0,0|2,0,0]=4 1345 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,1,1,0,0,0|2,0,0]=4 1346 B9R0.1 CCN(C)CCCC(=O)N 269982a_100000225621_100102525003 [0,1,1,0,0,0|2,0,0]=4 1347 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [0,1,1,0,0,0|1,0,0]=3 1348 B9R0.1 CC[C@H](C)CNCC(=O)N 2230a_100000711301_100009816398 [0,1,1,0,0,0|2,0,0]=4 1349 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,1,1,0,0,0|1,0,0]=3 1350 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [0,1,1,0,0,0|2,0,0]=4 1351 B9R0.1 CC[C@H](C)COCC(=O)N 7a_100009816381_100000187820 [0,1,1,0,0,0|2,0,0]=4 1352 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100000747473_100009816398 [0,1,1,0,0,0|2,0,0]=4 1353 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100009816398_100000747473 [0,1,1,0,0,0|2,0,0]=4 1354 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100009816398_100020667443 [0,1,1,0,0,0|1,0,1]=4 1355 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100020667443_100009816398 [0,1,1,0,0,0|1,0,1]=4 1356 B9R0.1 CN(CF)CCCC(=O)O 269956a_100000719178_100015361967 [0,1,1,0,0,0|2,0,0]=4 1357 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [0,1,1,0,0,0|1,0,1]=4 1358 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [0,1,1,0,0,0|2,0,0]=4 1359 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [0,1,1,0,0,0|2,0,0]=4 1360 B9R0.1 O=C(O)CNC[C@@H](O)CF 269956a_100016091260_100015614560 [0,1,1,0,0,0|2,0,0]=4 1361 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [0,1,1,0,0,0|2,0,0]=4 1362 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [0,1,1,0,0,0|1,0,1]=4 1363 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [0,1,1,0,0,0|1,0,1]=4 1364 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [0,1,1,0,0,0|1,0,1]=4 1365 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [0,1,1,0,0,0|0,0,2]=4 1366 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [0,1,1,0,0,0|2,0,0]=4 1367 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [0,1,1,0,0,0|2,0,0]=4 1368 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [0,1,1,0,0,0|2,0,0]=4 1369 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [0,1,1,0,0,0|2,0,0]=4 1370 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [0,1,1,0,0,0|2,0,0]=4 1371 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [0,1,1,0,0,0|2,0,0]=4 1372 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [0,1,1,0,0,0|2,0,0]=4 1373 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [0,1,1,0,0,0|2,0,0]=4 1374 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [0,1,1,0,0,0|2,0,0]=4 1375 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [0,1,1,0,0,0|2,0,0]=4 1376 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [0,1,1,0,0,0|2,0,0]=4 1377 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [0,1,1,0,0,0|2,0,0]=4 1378 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [0,1,1,0,0,0|2,0,0]=4 1379 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [0,1,1,0,0,0|2,0,0]=4 1380 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [0,1,1,0,0,0|2,0,0]=4 1381 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [0,1,1,0,0,0|2,0,0]=4 1382 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [0,1,1,0,0,0|2,0,0]=4 1383 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [0,1,1,0,0,0|2,0,0]=4 1384 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [0,1,1,0,0,0|2,0,0]=4 1385 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [0,1,1,0,0,0|2,0,0]=4 1386 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,1,1,0,0,0|1,0,1]=4 1387 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,1,1,0,0,0|1,0,1]=4 1388 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,1,1,0,0,0|1,0,1]=4 1389 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [0,1,1,0,0,0|0,0,2]=4 1390 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [0,1,1,0,0,0|1,0,1]=4 1391 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,1,1,0,0,0|1,0,0]=3 1392 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,1,1,0,0,0|1,0,0]=3 1393 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,1,1,0,0,0|1,0,0]=3 1394 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,1,1,0,0,0|2,0,0]=4 1395 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,1,1,0,0,0|2,0,0]=4 1396 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,1,1,0,0,0|2,0,0]=4 1397 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,1,1,0,0,0|2,0,0]=4 1398 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [0,1,1,0,0,0|2,0,0]=4 1399 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [0,1,1,0,0,0|2,0,0]=4 1400 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [0,1,1,0,0,0|2,0,0]=4 1401 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [0,1,1,0,0,0|2,0,0]=4 1402 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,1,1,0,0,0|2,0,0]=4 1403 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,1,1,0,0,0|2,0,0]=4 1404 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,1,1,0,0,0|2,0,0]=4 1405 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,1,1,0,0,0|2,0,0]=4 1406 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,1,1,0,0,0|2,0,0]=4 1407 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,1,1,0,0,0|2,0,0]=4 1408 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,1,1,0,0,0|2,0,0]=4 1409 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,1,1,0,0,0|2,0,0]=4 1410 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,1,1,0,0,0|2,0,0]=4 1411 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,1,1,0,0,0|2,0,0]=4 1412 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,1,1,0,0,0|2,0,0]=4 1413 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,1,1,0,0,0|2,0,0]=4 1414 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,1,1,0,0,0|2,0,0]=4 1415 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,1,1,0,0,0|2,0,0]=4 1416 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [0,1,1,0,0,0|2,0,0]=4 1417 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [0,1,1,0,0,0|2,0,0]=4 1418 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,1,1,0,0,0|2,0,0]=4 1419 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,1,1,0,0,0|2,0,0]=4 1420 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,1,1,0,0,0|2,0,0]=4 1421 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,1,1,0,0,0|2,0,0]=4 1422 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,1,1,0,0,0|2,0,0]=4 1423 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,1,1,0,0,0|2,0,0]=4 1424 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,1,1,0,0,0|2,0,0]=4 1425 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,1,1,0,0,0|2,0,0]=4 1426 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,1,1,0,0,0|2,0,0]=4 1427 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [0,1,1,0,0,0|0,0,2]=4 1428 B9R0.2 CCC#CCNCC(=O)O 269956a_100016091260_100009813939 [0,1,1,0,0,0|0,0,2]=4 1429 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,1,1,0,0,0|1,0,1]=4 1430 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,1,1,0,0,0|1,0,1]=4 1431 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,1,1,0,0,0|1,0,1]=4 1432 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,1,1,0,0,0|1,0,1]=4 1433 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,1,1,0,0,0|1,0,1]=4 1434 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,1,1,0,0,0|1,0,1]=4 1435 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,1,1,0,0,0|1,0,0]=3 1436 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,1,1,0,0,0|1,0,0]=3 1437 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,1,1,0,0,0|1,0,0]=3 1438 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,1,1,0,0,0|1,0,0]=3 1439 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,1,1,0,0,0|1,0,0]=3 1440 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,1,1,0,0,0|1,0,0]=3 1441 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,1,1,0,0,0|1,0,0]=3 1442 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [0,1,1,0,0,0|1,0,0]=3 1443 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [0,1,1,0,0,0|1,0,0]=3 1444 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,1,1,0,0,0|0,0,0]=2 1445 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [0,1,1,0,0,0|1,0,1]=4 1446 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [0,1,1,0,0,0|1,0,1]=4 1447 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [0,1,1,0,0,0|1,0,1]=4 1448 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [0,1,1,0,0,0|1,0,1]=4 1449 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,1,1,0,0,0|2,0,0]=4 1450 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,1,1,0,0,0|1,0,0]=3 1451 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,1,1,0,0,0|1,0,0]=3 1452 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,1,1,0,0,0|1,0,0]=3 1453 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,1,1,0,0,0|0,0,1]=3 1454 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [0,1,1,0,0,0|1,0,1]=4 1455 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [0,1,1,0,0,0|1,0,1]=4 1456 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [0,1,1,0,0,0|1,0,1]=4 1457 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [0,1,1,0,0,0|1,0,1]=4 1458 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [0,1,1,0,0,0|1,0,1]=4 1459 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,1,1,0,0,0|1,0,0]=3 1460 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,1,1,0,0,0|1,0,0]=3 1461 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,1,1,0,0,0|0,0,1]=3 1462 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,1,1,0,0,0|0,0,1]=3 1463 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [0,1,1,0,0,0|1,0,1]=4 1464 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [0,1,1,0,0,0|1,0,1]=4 1465 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [0,1,1,0,0,0|1,0,1]=4 1466 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [0,1,1,0,0,0|1,0,1]=4 1467 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [0,1,1,0,0,0|1,0,1]=4 1468 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,1,1,0,0,0|1,0,0]=3 1469 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,1,1,0,0,0|1,0,0]=3 1470 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,1,1,0,0,0|1,0,0]=3 1471 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [0,1,1,0,0,0|1,0,1]=4 1472 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [0,1,1,0,0,0|1,0,1]=4 1473 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [0,1,1,0,0,0|1,0,1]=4 1474 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [0,1,1,0,0,0|1,0,0]=3 1475 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,1,1,0,0,0|1,0,0]=3 1476 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,1,1,0,0,0|1,0,0]=3 1477 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,1,1,0,0,0|1,0,0]=3 1478 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,1,1,0,0,0|1,0,0]=3 1479 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,1,1,0,0,0|1,0,0]=3 1480 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,1,1,0,0,0|1,0,0]=3 1481 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,1,1,0,0,0|1,0,0]=3 1482 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,1,1,0,0,0|1,0,0]=3 1483 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [0,1,1,0,0,0|1,0,1]=4 1484 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [0,1,1,0,0,0|1,0,1]=4 1485 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,1,1,0,0,0|2,0,0]=4 1486 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,1,1,0,0,0|1,0,0]=3 1487 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,1,1,0,0,0|1,0,0]=3 1488 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,1,1,0,0,0|1,0,0]=3 1489 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,1,1,0,0,0|1,0,0]=3 1490 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [0,1,1,0,0,0|1,0,1]=4 1491 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [0,1,1,0,0,0|1,0,1]=4 1492 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,1,1,0,0,0|2,0,0]=4 1493 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,1,1,0,0,0|2,0,0]=4 1494 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,1,1,0,0,0|1,0,0]=3 1495 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,1,1,0,0,0|2,0,0]=4 1496 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,1,1,0,0,0|2,0,0]=4 1497 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [0,1,1,0,0,0|2,0,0]=4 1498 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,1,1,0,0,0|1,0,0]=3 1499 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,1,1,0,0,0|1,0,0]=3 1500 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,1,1,0,0,0|1,0,0]=3 1501 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,1,1,0,0,0|1,0,0]=3 1502 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [0,1,1,0,0,0|1,0,1]=4 1503 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [0,1,1,0,0,0|1,0,1]=4 1504 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,1,1,0,0,0|2,0,0]=4 1505 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,1,1,0,0,0|2,0,0]=4 1506 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,1,1,0,0,0|2,0,0]=4 1507 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,1,1,0,0,0|2,0,0]=4 1508 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [0,1,1,0,0,0|2,0,0]=4 1509 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,1,1,0,0,0|2,0,0]=4 1510 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [0,1,1,0,0,0|2,0,0]=4 1511 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [0,1,1,0,0,0|2,0,0]=4 1512 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,1,1,0,0,0|1,0,0]=3 1513 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,1,1,0,0,0|1,0,0]=3 1514 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,1,1,0,0,0|1,0,0]=3 1515 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,1,1,0,0,0|1,0,0]=3 1516 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [0,1,1,0,0,0|1,0,1]=4 1517 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [0,1,1,0,0,0|1,0,1]=4 1518 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,1,1,0,0,0|2,0,0]=4 1519 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,1,1,0,0,0|2,0,0]=4 1520 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,1,1,0,0,0|2,0,0]=4 1521 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,1,1,0,0,0|2,0,0]=4 1522 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,1,1,0,0,0|2,0,0]=4 1523 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [0,1,1,0,0,0|2,0,0]=4 1524 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [0,1,1,0,0,0|2,0,0]=4 1525 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,1,1,0,0,0|2,0,0]=4 1526 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,1,1,0,0,0|2,0,0]=4 1527 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,1,1,0,0,0|2,0,0]=4 1528 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,1,1,0,0,0|2,0,0]=4 1529 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [0,1,1,0,0,0|1,0,1]=4 1530 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,1,1,0,0,0|1,0,0]=3 1531 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,1,1,0,0,0|2,0,0]=4 1532 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,1,1,0,0,0|2,0,0]=4 1533 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [0,1,1,0,0,0|2,0,0]=4 1534 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [0,1,1,0,0,0|1,0,0]=3 1535 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [0,1,1,0,0,0|1,0,1]=4 1536 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,1,1,0,0,0|1,0,0]=3 1537 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,1,1,0,0,0|1,0,0]=3 1538 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,1,1,0,0,0|1,0,0]=3 1539 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [0,1,1,0,0,0|1,0,1]=4 1540 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [0,1,1,0,0,0|1,0,1]=4 1541 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,1,1,0,0,0|2,0,0]=4 1542 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,1,1,0,0,0|2,0,0]=4 1543 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,1,1,0,0,0|2,0,0]=4 1544 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,1,1,0,0,0|2,0,0]=4 1545 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,1,1,0,0,0|2,0,0]=4 1546 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,1,1,0,0,0|2,0,0]=4 1547 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,1,1,0,0,0|2,0,0]=4 1548 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [0,1,1,0,0,0|2,0,0]=4 1549 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [0,1,1,0,0,0|2,0,0]=4 1550 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [0,1,1,0,0,0|2,0,0]=4 1551 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [0,1,1,0,0,0|1,0,0]=3 1552 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [0,1,1,0,0,0|1,0,1]=4 1553 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [0,1,1,0,0,0|2,0,0]=4 1554 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [0,1,1,0,0,0|2,0,0]=4 1555 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [0,1,1,0,0,0|2,0,0]=4 1556 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [0,1,1,0,0,0|2,0,0]=4 1557 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [0,1,1,0,0,0|1,0,1]=4 1558 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [0,1,1,0,0,0|2,0,0]=4 1559 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [0,1,1,0,0,0|2,0,0]=4 1560 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [0,1,1,0,0,0|1,0,1]=4 1561 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [0,1,1,0,0,0|1,0,1]=4 1562 B9R0.2 CCOCNOCC(=O)O 269956a_100000106656_100000739092 [0,1,1,0,0,0|2,0,0]=4 1563 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [0,1,1,0,0,0|2,0,0]=4 1564 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [0,1,1,0,0,0|2,0,0]=4 1565 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [0,1,1,0,0,0|2,0,0]=4 1566 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [0,1,1,0,0,0|2,0,0]=4 1567 B9R0.2 CCSCCCCB(O)O 62a_100000210202_200009817182 [0,1,1,0,0,0|1,0,1]=4 1568 B9R0.2 CCSCCCCB(O)O 62a_200009817182_100000210202 [0,1,1,0,0,0|1,0,1]=4 1569 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,1,1,0,0,0|1,0,0]=3 1570 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,1,1,0,0,0|1,0,0]=3 1571 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,1,1,0,0,0|2,0,0]=4 1572 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,1,1,0,0,0|2,0,0]=4 1573 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,1,1,0,0,0|2,0,0]=4 1574 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,1,1,0,0,0|2,0,0]=4 1575 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [0,1,1,0,0,0|2,0,0]=4 1576 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [0,1,1,0,0,0|2,0,0]=4 1577 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [0,1,1,0,0,0|1,0,0]=3 1578 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [0,1,1,0,0,0|2,0,0]=4 1579 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [0,1,1,0,0,0|2,0,0]=4 1580 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [0,1,1,0,0,0|2,0,0]=4 1581 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [0,1,1,0,0,0|2,0,0]=4 1582 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [0,1,1,0,0,0|2,0,0]=4 1583 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [0,1,1,0,0,0|1,0,1]=4 1584 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [0,1,1,0,0,0|2,0,0]=4 1585 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [0,1,1,0,0,0|2,0,0]=4 1586 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [0,1,1,0,0,0|1,0,1]=4 1587 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [0,1,1,0,0,0|1,0,1]=4 1588 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [0,1,1,0,0,0|1,0,1]=4 1589 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [0,1,1,0,0,0|1,0,1]=4 1590 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [0,1,1,0,0,0|1,0,1]=4 1591 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [0,1,1,0,0,0|1,0,0]=3 1592 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [0,1,1,0,0,0|1,0,0]=3 1593 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [0,1,1,0,0,0|1,0,0]=3 1594 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,1,1,0,0,0|2,0,0]=4 1595 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,1,1,0,0,0|2,0,0]=4 1596 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,1,1,0,0,0|2,0,0]=4 1597 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,1,1,0,0,0|2,0,0]=4 1598 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,1,1,0,0,0|2,0,0]=4 1599 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,1,1,0,0,0|2,0,0]=4 1600 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,1,1,0,0,0|2,0,0]=4 1601 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [0,1,1,0,0,0|2,0,0]=4 1602 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [0,1,1,0,0,0|1,0,1]=4 1603 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [0,1,1,0,0,0|1,0,1]=4 1604 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,1,1,0,0,0|1,0,0]=3 1605 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,1,1,0,0,0|1,0,0]=3 1606 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,1,1,0,0,0|1,0,0]=3 1607 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,1,1,0,0,0|1,0,0]=3 1608 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,1,1,0,0,0|1,0,0]=3 1609 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,1,1,0,0,0|0,0,1]=3 1610 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,1,1,0,0,0|2,0,0]=4 1611 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,1,1,0,0,0|2,0,0]=4 1612 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,1,1,0,0,0|2,0,0]=4 1613 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,1,1,0,0,0|2,0,0]=4 1614 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [0,1,1,0,0,0|2,0,0]=4 1615 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [0,1,1,0,0,0|2,0,0]=4 1616 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [0,1,1,0,0,0|1,0,0]=3 1617 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [0,1,1,0,0,0|1,0,1]=4 1618 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [0,1,1,0,0,0|2,0,0]=4 1619 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [0,1,1,0,0,0|2,0,0]=4 1620 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [0,1,1,0,0,0|1,0,1]=4 1621 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [0,1,1,0,0,0|2,0,0]=4 1622 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [0,1,1,0,0,0|2,0,0]=4 1623 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [0,1,1,0,0,0|1,0,1]=4 1624 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [0,1,1,0,0,0|1,0,1]=4 1625 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [0,1,1,0,0,0|2,0,0]=4 1626 B9R0.2 COCCNOCC(=O)O 269956a_100000106656_100000233755 [0,1,1,0,0,0|2,0,0]=4 1627 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [0,1,1,0,0,0|2,0,0]=4 1628 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [0,1,1,0,0,0|2,0,0]=4 1629 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [0,1,1,0,0,0|2,0,0]=4 1630 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [0,1,1,0,0,0|2,0,0]=4 1631 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [0,1,1,0,0,0|2,0,0]=4 1632 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [0,1,1,0,0,0|2,0,0]=4 1633 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [0,1,1,0,0,0|2,0,0]=4 1634 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [0,1,1,0,0,0|2,0,0]=4 1635 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,1,1,0,0,0|2,0,0]=4 1636 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,1,1,0,0,0|2,0,0]=4 1637 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [0,1,1,0,0,0|2,0,0]=4 1638 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [0,1,1,0,0,0|2,0,0]=4 1639 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,1,1,0,0,0|2,0,0]=4 1640 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,1,1,0,0,0|2,0,0]=4 1641 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [0,1,1,0,0,0|2,0,0]=4 1642 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [0,1,1,0,0,0|2,0,0]=4 1643 B9R0.2 CSCCCCCB(O)O 62a_200000210301_200009817188 [0,1,1,0,0,0|1,0,1]=4 1644 B9R0.2 CSCCCCCB(O)O 62a_200009817188_200000210301 [0,1,1,0,0,0|1,0,1]=4 1645 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,1,1,0,0,0|1,0,0]=3 1646 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,1,1,0,0,0|1,0,0]=3 1647 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,1,1,0,0,0|2,0,0]=4 1648 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,1,1,0,0,0|2,0,0]=4 1649 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,1,1,0,0,0|2,0,0]=4 1650 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,1,1,0,0,0|2,0,0]=4 1651 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [0,1,1,0,0,0|2,0,0]=4 1652 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [0,1,1,0,0,0|2,0,0]=4 1653 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [0,1,1,0,0,0|2,0,0]=4 1654 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [0,1,1,0,0,0|1,0,1]=4 1655 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [0,1,1,0,0,0|2,0,0]=4 1656 B9R0.2 CSCCNOCC(=O)O 269956a_100000106656_100000212216 [0,1,1,0,0,0|2,0,0]=4 1657 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [0,1,1,0,0,0|2,0,0]=4 1658 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [0,1,1,0,0,0|2,0,0]=4 1659 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [0,1,1,0,0,0|2,0,0]=4 1660 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [0,1,1,0,0,0|2,0,0]=4 1661 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [0,1,1,0,0,0|2,0,0]=4 1662 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [0,1,1,0,0,0|2,0,0]=4 1663 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [0,1,1,0,0,0|2,0,0]=4 1664 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,1,1,0,0,0|2,0,0]=4 1665 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,1,1,0,0,0|2,0,0]=4 1666 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [0,1,1,0,0,0|2,0,0]=4 1667 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [0,1,1,0,0,0|2,0,0]=4 1668 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [0,1,1,0,0,0|2,0,0]=4 1669 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [0,1,1,0,0,0|2,0,0]=4 1670 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,1,1,0,0,0|2,0,0]=4 1671 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,1,1,0,0,0|2,0,0]=4 1672 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [0,1,1,0,0,0|2,0,0]=4 1673 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [0,1,1,0,0,0|2,0,0]=4 1674 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [0,1,1,0,0,0|1,0,1]=4 1675 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [0,1,1,0,0,0|2,0,0]=4 1676 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [0,1,1,0,0,0|2,0,0]=4 1677 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [0,1,1,0,0,0|2,0,0]=4 1678 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [0,1,1,0,0,0|2,0,0]=4 1679 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [0,1,1,0,0,0|2,0,0]=4 1680 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [0,1,1,0,0,0|2,0,0]=4 1681 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [0,1,1,0,0,0|2,0,0]=4 1682 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [0,1,1,0,0,0|2,0,0]=4 1683 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [0,1,1,0,0,0|2,0,0]=4 1684 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [0,1,1,0,0,0|2,0,0]=4 1685 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [0,1,1,0,0,0|2,0,0]=4 1686 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [0,1,1,0,0,0|2,0,0]=4 1687 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [0,1,1,0,0,0|2,0,0]=4 1688 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [0,1,1,0,0,0|2,0,0]=4 1689 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [0,1,1,0,0,0|2,0,0]=4 1690 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [0,1,1,0,0,0|2,0,0]=4 1691 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [0,1,1,0,0,0|2,0,0]=4 1692 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [0,1,1,0,0,0|2,0,0]=4 1693 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [0,1,1,0,0,0|2,0,0]=4 1694 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [0,1,1,0,0,0|2,0,0]=4 1695 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [0,1,1,0,0,0|2,0,0]=4 1696 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [0,1,1,0,0,0|2,0,0]=4 1697 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [0,1,1,0,0,0|2,0,0]=4 1698 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [0,1,1,0,0,0|2,0,0]=4 1699 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [0,1,1,0,0,0|2,0,0]=4 1700 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [0,1,1,0,0,0|2,0,0]=4 1701 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [0,1,1,0,0,0|2,0,0]=4 1702 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [0,1,1,0,0,0|2,0,0]=4 1703 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [0,1,1,0,0,0|2,0,0]=4 1704 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [0,1,1,0,0,0|2,0,0]=4 1705 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [0,1,1,0,0,0|2,0,0]=4 1706 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [0,1,1,0,0,0|2,0,0]=4 1707 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [0,1,1,0,0,0|2,0,0]=4 1708 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [0,1,1,0,0,0|2,0,0]=4 1709 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [0,1,1,0,0,0|2,0,0]=4 1710 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [0,1,1,0,0,0|2,0,0]=4 1711 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [0,1,1,0,0,0|2,0,0]=4 1712 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [0,1,1,0,0,0|2,0,0]=4 1713 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [0,1,1,0,0,0|2,0,0]=4 1714 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [0,1,1,0,0,0|2,0,0]=4 1715 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [0,1,1,0,0,0|1,0,1]=4 1716 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [0,1,1,0,0,0|2,0,0]=4 1717 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [0,1,1,0,0,0|2,0,0]=4 1718 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [0,1,1,0,0,0|1,0,0]=3 1719 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [0,1,1,0,0,0|1,0,0]=3 1720 B9R0.2 O=C(O)COCCNCF 269956a_100000700818_100015361967 [0,1,1,0,0,0|2,0,0]=4 1721 B9R0.2 O=C(O)CONCCCF 269956a_100000106656_100011934791 [0,1,1,0,0,0|2,0,0]=4 1722 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [0,1,1,0,0,0|2,0,0]=4 1723 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [0,1,1,0,0,0|1,0,1]=4 1724 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [0,1,1,0,0,0|1,0,1]=4 1725 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [0,1,1,0,0,0|1,0,1]=4 1726 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [0,1,1,0,0,0|1,0,1]=4 1727 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [0,1,1,0,0,0|1,0,1]=4 1728 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [0,1,1,0,0,0|1,0,1]=4 1729 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [0,1,1,0,0,0|1,0,1]=4 1730 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [0,1,1,0,0,0|1,0,1]=4 1731 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [0,1,1,0,0,0|1,0,1]=4 1732 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [0,1,1,0,0,0|1,0,1]=4 1733 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,1,1,0,0,0|1,0,0]=3 1734 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,1,1,0,0,0|1,0,0]=3 1735 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,1,1,0,0,0|1,0,0]=3 1736 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,1,1,0,0,0|0,0,1]=3 1737 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200009817188_200025704644 [0,1,1,0,0,0|1,0,1]=4 1738 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200025704644_200009817188 [0,1,1,0,0,0|1,0,1]=4 1739 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,1,1,0,0,0|1,0,0]=3 1740 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,1,1,0,0,0|1,0,0]=3 1741 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,1,1,0,0,0|1,0,1]=4 1742 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,1,1,0,0,0|1,0,1]=4 1743 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [0,1,1,0,0,0|0,0,2]=4 1744 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,1,1,0,0,0|2,0,0]=4 1745 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,1,1,0,0,0|2,0,0]=4 1746 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,1,1,0,0,0|2,0,0]=4 1747 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,1,1,0,0,0|2,0,0]=4 1748 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [0,1,1,0,0,0|2,0,0]=4 1749 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [0,1,1,0,0,0|2,0,0]=4 1750 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [0,1,1,0,0,0|2,0,0]=4 1751 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,1,1,0,0,0|1,0,0]=3 1752 B9R0.4 CCCCN(C)CC(=O)[O-] 269982a_100000207549_100020667443 [0,1,1,0,0,0|1,0,1]=4 1753 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [0,1,1,0,0,0|1,0,0]=3 1754 B9R0.4 CCOCN(C)CC(=O)O 269956a_100000746989_100000739092 [0,1,1,0,0,0|2,0,0]=4 1755 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [0,1,1,0,0,0|2,0,0]=4 1756 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [0,1,1,0,0,0|2,0,0]=4 1757 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [0,1,1,0,0,0|2,0,0]=4 1758 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [0,1,1,0,0,0|2,0,0]=4 1759 B9R0.4 O=C(O)CC(O)CNCF 269956a_100011218706_100015361967 [0,1,1,0,0,0|2,0,0]=4 1760 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,1,1,0,0,0|1,0,0]=3 1761 B9R0.46 C#CC(=O)CCCCCF 1458a_100000211873_100000729378 [0,1,1,0,0,0|2,0,0]=4 1762 B9R0.46 C#CC(=O)CCCCCO 1458a_100000211873_100000746330 [0,1,1,0,0,0|2,0,0]=4 1763 B9R0.46 C#CC(=O)CCCCOC 1458a_100000211873_100000755781 [0,1,1,0,0,0|2,0,0]=4 1764 B9R0.46 C#CC(=O)CCCOCC 1458a_100000211873_100012232248 [0,1,1,0,0,0|2,0,0]=4 1765 B9R0.46 C#CC(=O)CCOCCC 1458a_100000211873_100011215938 [0,1,1,0,0,0|2,0,0]=4 1766 B9R0.46 C#CC(=O)COCCCC 1458a_100000211873_100011995733 [0,1,1,0,0,0|2,0,0]=4 1767 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [0,1,1,0,0,0|0,0,2]=4 1768 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,1,1,0,0,0|1,0,0]=3 1769 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [0,1,1,0,0,0|2,0,0]=4 1770 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [0,1,1,0,0,0|2,0,0]=4 1771 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [0,1,1,0,0,0|2,0,0]=4 1772 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [0,1,1,0,0,0|2,0,0]=4 1773 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [0,1,1,0,0,0|2,0,0]=4 1774 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [0,1,1,0,0,0|2,0,0]=4 1775 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [0,1,1,0,0,0|2,0,0]=4 1776 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [0,1,1,0,0,0|2,0,0]=4 1777 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [0,1,1,0,0,0|0,0,2]=4 1778 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,1,1,0,0,0|0,0,2]=4 1779 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,1,1,0,0,0|2,0,0]=4 1780 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,1,1,0,0,0|2,0,0]=4 1781 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,1,1,0,0,0|2,0,0]=4 1782 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,1,1,0,0,0|2,0,0]=4 1783 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,1,1,0,0,0|1,0,0]=3 1784 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,1,1,0,0,0|1,0,0]=3 1785 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,1,1,0,0,0|1,0,0]=3 1786 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,1,1,0,0,0|0,0,0]=2 1787 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,1,1,0,0,0|1,0,0]=3 1788 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,1,1,0,0,0|1,0,0]=3 1789 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,1,1,0,0,0|1,0,0]=3 1790 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,1,1,0,0,0|1,0,0]=3 1791 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [0,1,1,0,0,0|1,0,1]=4 1792 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [0,1,1,0,0,0|1,0,1]=4 1793 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [0,1,1,0,0,0|1,0,1]=4 1794 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [0,1,1,0,0,0|1,0,1]=4 1795 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [0,1,1,0,0,0|1,0,1]=4 1796 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,1,1,0,0,0|2,0,0]=4 1797 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,1,1,0,0,0|2,0,0]=4 1798 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,1,1,0,0,0|2,0,0]=4 1799 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,1,1,0,0,0|2,0,0]=4 1800 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,1,1,0,0,0|1,0,0]=3 1801 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,1,1,0,0,0|1,0,0]=3 1802 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,1,1,0,0,0|2,0,0]=4 1803 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,1,1,0,0,0|2,0,0]=4 1804 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,1,1,0,0,0|2,0,0]=4 1805 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,1,1,0,0,0|2,0,0]=4 1806 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,1,1,0,0,0|2,0,0]=4 1807 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,1,1,0,0,0|2,0,0]=4 1808 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,1,1,0,0,0|2,0,0]=4 1809 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [0,1,1,0,0,0|2,0,0]=4 1810 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [0,1,1,0,0,0|2,0,0]=4 1811 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [0,1,1,0,0,0|2,0,0]=4 1812 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,1,1,0,0,0|1,0,0]=3 1813 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,1,1,0,0,0|1,0,0]=3 1814 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [0,1,1,0,0,0|2,0,0]=4 1815 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,1,1,0,0,0|2,0,0]=4 1816 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,1,1,0,0,0|2,0,0]=4 1817 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,1,1,0,0,0|2,0,0]=4 1818 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,1,1,0,0,0|2,0,0]=4 1819 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,1,1,0,0,0|2,0,0]=4 1820 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,1,1,0,0,0|1,0,0]=3 1821 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [0,1,1,0,0,0|2,0,0]=4 1822 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [0,1,1,0,0,0|2,0,0]=4 1823 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [0,1,1,0,0,0|2,0,0]=4 1824 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [0,1,1,0,0,0|2,0,0]=4 1825 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [0,1,1,0,0,0|2,0,0]=4 1826 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [0,1,1,0,0,0|2,0,0]=4 1827 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [0,1,1,0,0,0|2,0,0]=4 1828 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,1,1,0,0,0|1,0,0]=3 1829 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,1,1,0,0,0|1,0,0]=3 1830 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,1,1,0,0,0|2,0,0]=4 1831 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,1,1,0,0,0|2,0,0]=4 1832 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,1,1,0,0,0|2,0,0]=4 1833 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,1,1,0,0,0|2,0,0]=4 1834 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,1,1,0,0,0|2,0,0]=4 1835 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,1,1,0,0,0|2,0,0]=4 1836 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,1,1,0,0,0|2,0,0]=4 1837 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,1,1,0,0,0|2,0,0]=4 1838 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,1,1,0,0,0|2,0,0]=4 1839 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,1,1,0,0,0|2,0,0]=4 1840 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,1,1,0,0,0|1,0,0]=3 1841 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,1,1,0,0,0|1,0,0]=3 1842 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [0,1,1,0,0,0|2,0,0]=4 1843 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [0,1,1,0,0,0|2,0,0]=4 1844 B9R0.46 CCCOCCC(=NO)N 34a_100000749954_100000210303 [0,1,1,0,0,0|2,0,0]=4 1845 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,1,1,0,0,0|2,0,0]=4 1846 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,1,1,0,0,0|1,0,0]=3 1847 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [0,1,1,0,0,0|2,0,0]=4 1848 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [0,1,1,0,0,0|2,0,0]=4 1849 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,1,1,0,0,0|1,0,0]=3 1850 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,1,1,0,0,0|2,0,0]=4 1851 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,1,1,0,0,0|2,0,0]=4 1852 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,1,1,0,0,0|1,0,0]=3 1853 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,1,1,0,0,0|1,0,0]=3 1854 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [0,1,1,0,0,0|2,0,0]=4 1855 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [0,1,1,0,0,0|2,0,0]=4 1856 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [0,1,1,0,0,0|2,0,0]=4 1857 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [0,1,1,0,0,0|2,0,0]=4 1858 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,1,1,0,0,0|1,0,0]=3 1859 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,1,1,0,0,0|2,0,0]=4 1860 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,1,1,0,0,0|1,0,0]=3 1861 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [0,1,1,0,0,0|2,0,0]=4 1862 B9R0.46 CCOCCCC(=O)NN 34a_100000211488_100000210202 [0,1,1,0,0,0|2,0,0]=4 1863 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,1,1,0,0,0|1,0,0]=3 1864 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,1,1,0,0,0|2,0,0]=4 1865 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,1,1,0,0,0|2,0,0]=4 1866 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [0,1,1,0,0,0|2,0,0]=4 1867 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [0,1,1,0,0,0|2,0,0]=4 1868 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [0,1,1,0,0,0|2,0,0]=4 1869 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [0,1,1,0,0,0|2,0,0]=4 1870 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [0,1,1,0,0,0|2,0,0]=4 1871 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [0,1,1,0,0,0|2,0,0]=4 1872 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,1,1,0,0,0|1,0,0]=3 1873 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,1,1,0,0,0|1,0,0]=3 1874 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,1,1,0,0,0|2,0,0]=4 1875 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,1,1,0,0,0|2,0,0]=4 1876 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,1,1,0,0,0|2,0,0]=4 1877 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,1,1,0,0,0|1,0,0]=3 1878 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,1,1,0,0,0|1,0,0]=3 1879 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,1,1,0,0,0|1,0,0]=3 1880 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [0,1,1,0,0,0|2,0,0]=4 1881 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [0,1,1,0,0,0|2,0,0]=4 1882 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [0,1,1,0,0,0|2,0,0]=4 1883 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,1,1,0,0,0|1,0,0]=3 1884 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,1,1,0,0,0|1,0,0]=3 1885 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,1,1,0,0,0|1,0,0]=3 1886 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,1,1,0,0,0|1,0,0]=3 1887 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,1,1,0,0,0|1,0,0]=3 1888 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,1,1,0,0,0|1,0,0]=3 1889 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [0,1,1,0,0,0|2,0,0]=4 1890 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [0,1,1,0,0,0|2,0,0]=4 1891 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [0,1,1,0,0,0|2,0,0]=4 1892 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [0,1,1,0,0,0|2,0,0]=4 1893 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [0,1,1,0,0,0|2,0,0]=4 1894 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [0,1,1,0,0,0|2,0,0]=4 1895 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [0,1,1,0,0,0|2,0,0]=4 1896 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [0,1,1,0,0,0|2,0,0]=4 1897 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [0,1,1,0,0,0|2,0,0]=4 1898 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [0,1,1,0,0,0|2,0,0]=4 1899 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [0,1,1,0,0,0|2,0,0]=4 1900 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [0,1,1,0,0,0|2,0,0]=4 1901 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [0,1,1,0,0,0|2,0,0]=4 1902 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [0,1,1,0,0,0|2,0,0]=4 1903 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [0,1,1,0,0,0|2,0,0]=4 1904 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [0,1,1,0,0,0|2,0,0]=4 1905 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [0,1,1,0,0,0|2,0,0]=4 1906 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [0,1,1,0,0,0|2,0,0]=4 1907 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [0,1,1,0,0,0|2,0,0]=4 1908 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [0,1,1,0,0,0|2,0,0]=4 1909 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [0,1,1,0,0,0|2,0,0]=4 1910 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [0,1,1,0,0,0|2,0,0]=4 1911 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [0,1,1,0,0,0|2,0,0]=4 1912 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [0,1,1,0,0,0|2,0,0]=4 1913 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [0,1,1,0,0,0|2,0,0]=4 1914 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [0,1,1,0,0,0|2,0,0]=4 1915 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [0,1,1,0,0,0|2,0,0]=4 1916 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [0,1,1,0,0,0|2,0,0]=4 1917 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [0,1,1,0,0,0|2,0,0]=4 1918 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [0,1,1,0,0,0|2,0,0]=4 1919 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [0,1,1,0,0,0|2,0,0]=4 1920 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [0,1,1,0,0,0|2,0,0]=4 1921 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,1,1,0,0,0|1,0,0]=3 1922 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,1,1,0,0,0|1,0,0]=3 1923 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,1,1,0,0,0|1,0,0]=3 1924 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,1,1,0,0,0|1,0,0]=3 1925 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,1,1,0,0,0|2,0,0]=4 1926 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,1,1,0,0,0|2,0,0]=4 1927 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [0,1,1,0,0,0|2,0,0]=4 1928 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [0,1,1,0,0,0|2,0,0]=4 1929 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [0,1,1,0,0,0|2,0,0]=4 1930 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [0,1,1,0,0,0|2,0,0]=4 1931 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [0,1,1,0,0,0|2,0,0]=4 1932 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [0,1,1,0,0,0|2,0,0]=4 1933 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [0,1,1,0,0,0|2,0,0]=4 1934 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,1,1,0,0,0|2,0,0]=4 1935 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,1,1,0,0,0|2,0,0]=4 1936 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [0,1,1,0,0,0|1,0,1]=4 1937 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,1,1,0,0,0|2,0,0]=4 1938 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,1,1,0,0,0|1,0,0]=3 1939 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,1,1,0,0,0|1,0,0]=3 1940 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [0,1,1,0,0,0|2,0,0]=4 1941 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,1,1,0,0,0|2,0,0]=4 1942 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,1,1,0,0,0|2,0,0]=4 1943 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,1,1,0,0,0|2,0,0]=4 1944 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,1,1,0,0,0|2,0,0]=4 1945 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,1,1,0,0,0|1,0,0]=3 1946 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,1,1,0,0,0|1,0,0]=3 1947 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,1,1,0,0,0|1,0,0]=3 1948 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,1,1,0,0,0|2,0,0]=4 1949 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,1,1,0,0,0|2,0,0]=4 1950 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,1,1,0,0,0|2,0,0]=4 1951 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,1,1,0,0,0|2,0,0]=4 1952 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,1,1,0,0,0|2,0,0]=4 1953 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,1,1,0,0,0|2,0,0]=4 1954 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [0,1,1,0,0,0|2,0,0]=4 1955 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [0,1,1,0,0,0|2,0,0]=4 1956 B9R0.47 CCCCNC(F)C(=O)N 2230a_100000102301_100009813875 [0,1,1,0,0,0|2,0,0]=4 1957 B9R0.47 CCCCNC(F)C(=O)N 7a_106832991798_100009813875 [0,1,1,0,0,0|2,0,0]=4 1958 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,1,1,0,0,0|1,0,0]=3 1959 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [0,1,1,0,0,0|2,0,0]=4 1960 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [0,1,1,0,0,0|2,0,0]=4 1961 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,1,1,0,0,0|2,0,0]=4 1962 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,1,1,0,0,0|2,0,0]=4 1963 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [0,1,1,0,0,0|2,0,0]=4 1964 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [0,1,1,0,0,0|2,0,0]=4 1965 B9R0.47 CCCCOC(F)C(=O)N 34a_100000210227_100009813875 [0,1,1,0,0,0|2,0,0]=4 1966 B9R0.47 CCCCOC(F)C(=O)N 7a_100000210227_100009813875 [0,1,1,0,0,0|2,0,0]=4 1967 B9R0.47 CCCCOC(F)C(=O)[O-] 34a_100000210227_100020610796 [0,1,1,0,0,0|1,0,1]=4 1968 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [0,1,1,0,0,0|1,0,1]=4 1969 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [0,1,1,0,0,0|2,0,0]=4 1970 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [0,1,1,0,0,0|2,0,0]=4 1971 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,1,1,0,0,0|2,0,0]=4 1972 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,1,1,0,0,0|2,0,0]=4 1973 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,1,1,0,0,0|2,0,0]=4 1974 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,1,1,0,0,0|2,0,0]=4 1975 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,1,1,0,0,0|2,0,0]=4 1976 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,1,1,0,0,0|2,0,0]=4 1977 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [0,1,1,0,0,0|2,0,0]=4 1978 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [0,1,1,0,0,0|2,0,0]=4 1979 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [0,1,1,0,0,0|1,0,1]=4 1980 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [0,1,1,0,0,0|1,0,1]=4 1981 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,1,1,0,0,0|1,0,0]=3 1982 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,1,1,0,0,0|1,0,0]=3 1983 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,1,1,0,0,0|2,0,0]=4 1984 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,1,1,0,0,0|2,0,0]=4 1985 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,1,1,0,0,0|2,0,0]=4 1986 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [0,1,1,0,0,0|2,0,0]=4 1987 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,1,1,0,0,0|2,0,0]=4 1988 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,1,1,0,0,0|2,0,0]=4 1989 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [0,1,1,0,0,0|2,0,0]=4 1990 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,1,1,0,0,0|2,0,0]=4 1991 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,1,1,0,0,0|2,0,0]=4 1992 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,1,1,0,0,0|2,0,0]=4 1993 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [0,1,1,0,0,0|2,0,0]=4 1994 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [0,1,1,0,0,0|2,0,0]=4 1995 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,1,1,0,0,0|2,0,0]=4 1996 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,1,1,0,0,0|2,0,0]=4 1997 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [0,1,1,0,0,0|2,0,0]=4 1998 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,1,1,0,0,0|1,0,1]=4 1999 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000711301_100000766640 [0,1,1,0,0,0|2,0,0]=4 2000 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000741246_100000747473 [0,1,1,0,0,0|2,0,0]=4 2001 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,1,1,0,0,0|1,0,0]=3 2002 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,1,1,0,0,0|2,0,0]=4 2003 B9R0.48 CCCC(C)OCC(=O)N 34a_100000764384_100000187820 [0,1,1,0,0,0|2,0,0]=4 2004 B9R0.48 CCCC(C)OCC(=O)N 7a_100000764384_100000187820 [0,1,1,0,0,0|2,0,0]=4 2005 B9R0.48 CCCC(C)OCC(=O)[O-] 34a_100000764384_100020667443 [0,1,1,0,0,0|1,0,1]=4 2006 B9R0.48 CCCC(C)SCC(=O)N 62a_100000747473_100000766640 [0,1,1,0,0,0|2,0,0]=4 2007 B9R0.48 CCCC(C)SCC(=O)N 62a_100000766640_100000747473 [0,1,1,0,0,0|2,0,0]=4 2008 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100000766640_100020667443 [0,1,1,0,0,0|1,0,1]=4 2009 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100020667443_100000766640 [0,1,1,0,0,0|1,0,1]=4 2010 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,1,1,0,0,0|2,0,0]=4 2011 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000730477_100000210303 [0,1,1,0,0,0|2,0,0]=4 2012 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000747261_100000744528 [0,1,1,0,0,0|2,0,0]=4 2013 B9R0.48 CCCN(C)CCC(=O)N 269982a_100000747261_100000744528 [0,1,1,0,0,0|2,0,0]=4 2014 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [0,1,1,0,0,0|2,0,0]=4 2015 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [0,1,1,0,0,0|1,0,1]=4 2016 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,1,1,0,0,0|1,0,1]=4 2017 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,1,1,0,0,0|1,0,0]=3 2018 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,1,1,0,0,0|1,0,0]=3 2019 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [0,1,1,0,0,0|2,0,0]=4 2020 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [0,1,1,0,0,0|2,0,0]=4 2021 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [0,1,1,0,0,0|2,0,0]=4 2022 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [0,1,1,0,0,0|2,0,0]=4 2023 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [0,1,1,0,0,0|2,0,0]=4 2024 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [0,1,1,0,0,0|2,0,0]=4 2025 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [0,1,1,0,0,0|2,0,0]=4 2026 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,1,1,0,0,0|1,0,1]=4 2027 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [0,1,1,0,0,0|2,0,0]=4 2028 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [0,1,1,0,0,0|2,0,0]=4 2029 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [0,1,1,0,0,0|2,0,0]=4 2030 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [0,1,1,0,0,0|2,0,0]=4 2031 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [0,1,1,0,0,0|2,0,0]=4 2032 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [0,1,1,0,0,0|2,0,0]=4 2033 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [0,1,1,0,0,0|2,0,0]=4 2034 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [0,1,1,0,0,0|2,0,0]=4 2035 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [0,1,1,0,0,0|2,0,0]=4 2036 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [0,1,1,0,0,0|2,0,0]=4 2037 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [0,1,1,0,0,0|2,0,0]=4 2038 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [0,1,1,0,0,0|2,0,0]=4 2039 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [0,1,1,0,0,0|2,0,0]=4 2040 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [0,1,1,0,0,0|2,0,0]=4 2041 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [0,1,1,0,0,0|2,0,0]=4 2042 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [0,1,1,0,0,0|2,0,0]=4 2043 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [0,1,1,0,0,0|2,0,0]=4 2044 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [0,1,1,0,0,0|2,0,0]=4 2045 B9R0.55 CC(Br)CCOCC(=O)N 34a_100009893172_100000187820 [0,1,1,0,0,0|2,0,0]=4 2046 B9R0.55 CC(Br)CCOCC(=O)[O-] 34a_100009893172_100020667443 [0,1,1,0,0,0|1,0,1]=4 2047 B9R0.55 CC(Br)COCCC(=O)N 34a_100012180447_100000731001 [0,1,1,0,0,0|2,0,0]=4 2048 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,1,1,0,0,0|1,0,0]=3 2049 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [0,1,1,0,0,0|2,0,0]=4 2050 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,1,1,0,0,0|1,0,0]=3 2051 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [0,1,1,0,0,0|2,0,0]=4 2052 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [0,1,1,0,0,0|2,0,0]=4 2053 B9R0.55 CC(C)CCOCC(=O)[O-] 34a_100000210254_100020667443 [0,1,1,0,0,0|1,0,1]=4 2054 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [0,1,1,0,0,0|2,0,0]=4 2055 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [0,1,1,0,0,0|2,0,0]=4 2056 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [0,1,1,0,0,0|1,0,1]=4 2057 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [0,1,1,0,0,0|1,0,1]=4 2058 B9R0.55 CC(C)CNCCC(=O)N 2230a_100000210953_100000744528 [0,1,1,0,0,0|2,0,0]=4 2059 B9R0.55 CC(C)CNCCC(=O)N 34a_100000210953_100000731001 [0,1,1,0,0,0|2,0,0]=4 2060 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [0,1,1,0,0,0|2,0,0]=4 2061 B9R0.55 CC(C)COCCC(=O)N 34a_100000210257_100000731001 [0,1,1,0,0,0|2,0,0]=4 2062 B9R0.55 CC(C)COCCC(=O)N 34a_100000757172_100000210624 [0,1,1,0,0,0|2,0,0]=4 2063 B9R0.55 CC(C)COCCC(=O)N 7a_100000757172_100000210760 [0,1,1,0,0,0|2,0,0]=4 2064 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [0,1,1,0,0,0|2,0,0]=4 2065 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [0,1,1,0,0,0|2,0,0]=4 2066 B9R0.55 CC(C)NCCCC(=O)N 34a_100000739312_100000210206 [0,1,1,0,0,0|2,0,0]=4 2067 B9R0.55 CC(C)NCCCC(=O)N 34a_100138425928_100102525003 [0,1,1,0,0,0|2,0,0]=4 2068 B9R0.55 CC(C)OCCCC(=O)N 34a_100000212225_100102525003 [0,1,1,0,0,0|2,0,0]=4 2069 B9R0.55 CC(C)OCNCC(=O)O 269956a_100016091260_100000709892 [0,1,1,0,0,0|2,0,0]=4 2070 B9R0.55 CC(C)SCCCC(=O)N 62a_100000210206_100102525003 [0,1,1,0,0,0|2,0,0]=4 2071 B9R0.55 CC(C)SCCCC(=O)N 62a_100102525003_100000210206 [0,1,1,0,0,0|2,0,0]=4 2072 B9R0.55 CC(F)COCCC(=O)N 34a_100015925927_100000731001 [0,1,1,0,0,0|2,0,0]=4 2073 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [0,1,1,0,0,0|2,0,0]=4 2074 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [0,1,1,0,0,0|2,0,0]=4 2075 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [0,1,1,0,0,0|1,0,0]=3 2076 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [0,1,1,0,0,0|2,0,0]=4 2077 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [0,1,1,0,0,0|2,0,0]=4 2078 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [0,1,1,0,0,0|1,0,1]=4 2079 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [0,1,1,0,0,0|1,0,1]=4 2080 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [0,1,1,0,0,0|2,0,0]=4 2081 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [0,1,1,0,0,0|2,0,0]=4 2082 B9R0.55 CC(O)CNOCC(=O)O 269956a_100000106656_100011218427 [0,1,1,0,0,0|2,0,0]=4 2083 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [0,1,1,0,0,0|2,0,0]=4 2084 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [0,1,1,0,0,0|2,0,0]=4 2085 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [0,1,1,0,0,0|2,0,0]=4 2086 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [0,1,1,0,0,0|2,0,0]=4 2087 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [0,1,1,0,0,0|2,0,0]=4 2088 B9R0.55 C[C@@H](Cl)COCCC(=O)N 34a_100016084084_100000731001 [0,1,1,0,0,0|2,0,0]=4 2089 B9R0.55 C[C@@H](N)CCOCC(=O)N 34a_100000706166_100000187820 [0,1,1,0,0,0|2,0,0]=4 2090 B9R0.55 C[C@@H](N)CCOCC(=O)[O-] 34a_100000706166_100020667443 [0,1,1,0,0,0|1,0,1]=4 2091 B9R0.55 C[C@@H](N)COCCC(=O)N 34a_100000737577_100000731001 [0,1,1,0,0,0|2,0,0]=4 2092 B9R0.55 C[C@@H](O)CNOCC(=O)O 269956a_100000106656_100009817552 [0,1,1,0,0,0|2,0,0]=4 2093 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [0,1,1,0,0,0|2,0,0]=4 2094 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [0,1,1,0,0,0|2,0,0]=4 2095 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [0,1,1,0,0,0|2,0,0]=4 2096 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [0,1,1,0,0,0|2,0,0]=4 2097 B9R0.6 CC(C(=O)O)N(C)CCF 269956a_100000749554_100011217306 [0,1,1,0,0,0|2,0,0]=4 2098 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100000749554_100000211926 [0,1,1,0,0,0|2,0,0]=4 2099 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100011300695_200000210301 [0,1,1,0,0,0|2,0,0]=4 2100 B9R0.6 CC(C(=O)O)N([13CH3])CCO 269956a_100011300695_200025704644 [0,1,1,0,0,0|2,0,0]=4 2101 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [0,1,1,0,0,0|1,0,1]=4 2102 B9R0.6 CCCC(=O)C(C)C(=O)N 1458a_100000211992_100000702099 [0,1,1,0,0,0|1,0,1]=4 2103 B9R0.6 CCCN(C)C(C)C(=O)C 2230a_100000747261_100009814033 [0,1,1,0,0,0|2,0,0]=4 2104 B9R0.6 CCCN(C)C(C)C(=O)C 269982a_100000747261_100009814033 [0,1,1,0,0,0|2,0,0]=4 2105 B9R0.6 CCCN(C)C(C)C(=O)N 2230a_100000747261_100000702099 [0,1,1,0,0,0|2,0,0]=4 2106 B9R0.6 CCCN(C)C(C)C(=O)N 269982a_100000747261_100000184083 [0,1,1,0,0,0|2,0,0]=4 2107 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [0,1,1,0,0,0|1,0,0]=3 2108 B9R0.6 COCN(C)C(C)C(=O)O 269956a_100000749554_100000766300 [0,1,1,0,0,0|2,0,0]=4 2109 B9R0.6 CSCN(C)C(C)C(=O)O 269956a_100000749554_100011218213 [0,1,1,0,0,0|2,0,0]=4 2110 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [0,1,1,0,0,0|1,0,1]=4 2111 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,1,1,0,0,0|1,0,0]=3 2112 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,1,1,0,0,0|2,0,0]=4 2113 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,1,1,0,0,0|2,0,0]=4 2114 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,1,1,0,0,0|2,0,0]=4 2115 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,1,1,0,0,0|2,0,0]=4 2116 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,1,1,0,0,0|2,0,0]=4 2117 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,1,1,0,0,0|2,0,0]=4 2118 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,1,1,0,0,0|2,0,0]=4 2119 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [0,1,1,0,0,0|2,0,0]=4 2120 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [0,1,1,0,0,0|2,0,0]=4 2121 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,1,1,0,0,0|2,0,0]=4 2122 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,1,1,0,0,0|2,0,0]=4 2123 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,1,1,0,0,0|2,0,0]=4 2124 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,1,1,0,0,0|2,0,0]=4 2125 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,1,1,0,0,0|2,0,0]=4 2126 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,1,1,0,0,0|2,0,0]=4 2127 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,1,1,0,0,0|2,0,0]=4 2128 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,1,1,0,0,0|2,0,0]=4 2129 B9R0.7 CC(Br)COC(C)C(=O)N 34a_100012180447_100000702099 [0,1,1,0,0,0|2,0,0]=4 2130 B9R0.7 CC(C)CNC(C)C(=O)N 2230a_100000210953_100000702099 [0,1,1,0,0,0|2,0,0]=4 2131 B9R0.7 CC(C)CNC(C)C(=O)N 34a_100000210953_100000702099 [0,1,1,0,0,0|2,0,0]=4 2132 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,1,1,0,0,0|1,0,0]=3 2133 B9R0.7 CC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000210760 [0,1,1,0,0,0|2,0,0]=4 2134 B9R0.7 CC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000210432 [0,1,1,0,0,0|2,0,0]=4 2135 B9R0.7 CC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000210624 [0,1,1,0,0,0|2,0,0]=4 2136 B9R0.7 CC(C)COC(C)C(=O)N 34a_100000210257_100000702099 [0,1,1,0,0,0|2,0,0]=4 2137 B9R0.7 CC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210760 [0,1,1,0,0,0|1,0,1]=4 2138 B9R0.7 CC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000210624 [0,1,1,0,0,0|2,0,0]=4 2139 B9R0.7 CC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000210760 [0,1,1,0,0,0|2,0,0]=4 2140 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [0,1,1,0,0,0|2,0,0]=4 2141 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [0,1,1,0,0,0|2,0,0]=4 2142 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,1,1,0,0,0|1,0,0]=3 2143 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,1,1,0,0,0|2,0,0]=4 2144 B9R0.7 CC(F)COC(C)C(=O)N 34a_100015925927_100000702099 [0,1,1,0,0,0|2,0,0]=4 2145 B9R0.7 CC(O)CNC(C)C(=O)N 2230a_100000210904_100000702099 [0,1,1,0,0,0|2,0,0]=4 2146 B9R0.7 CC(O)CNC(C)C(=O)N 34a_100000210904_100000702099 [0,1,1,0,0,0|2,0,0]=4 2147 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,1,1,0,0,0|1,0,0]=3 2148 B9R0.7 CC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218427 [0,1,1,0,0,0|2,0,0]=4 2149 B9R0.7 CC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218427 [0,1,1,0,0,0|2,0,0]=4 2150 B9R0.7 CC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218427 [0,1,1,0,0,0|1,0,1]=4 2151 B9R0.7 CC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218427 [0,1,1,0,0,0|2,0,0]=4 2152 B9R0.7 CC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218427 [0,1,1,0,0,0|2,0,0]=4 2153 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100000702099_100011218427 [0,1,1,0,0,0|2,0,0]=4 2154 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100011218427_100000702099 [0,1,1,0,0,0|2,0,0]=4 2155 B9R0.7 CC(OC[C@@H](C)Cl)C(=O)N 34a_100016084084_100000702099 [0,1,1,0,0,0|2,0,0]=4 2156 B9R0.7 CC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000702099 [0,1,1,0,0,0|2,0,0]=4 2157 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100000702099_100009817552 [0,1,1,0,0,0|2,0,0]=4 2158 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000702099 [0,1,1,0,0,0|2,0,0]=4 2159 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 2230a_100000119354_100009817552 [0,1,1,0,0,0|2,0,0]=4 2160 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 34a_100000119354_100009817552 [0,1,1,0,0,0|2,0,0]=4 2161 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 34a_100000731257_100009817552 [0,1,1,0,0,0|2,0,0]=4 2162 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 7a_100000731257_100009817552 [0,1,1,0,0,0|2,0,0]=4 2163 B9R0.7 C[C@H](NCC(F)F)C(=O)O 269956a_100000743915_100011934356 [0,1,1,0,0,0|2,0,0]=4 2164 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,1,1,0,0,0|1,0,0]=3 2165 B9R0.7 C[C@H](OC[C@@H](C)O)C(=O)[O-] 7a_217856618621_100009817552 [0,1,1,0,0,0|1,0,1]=4 2166 B9R0.8 C#CC(=O)C(C)CCCC 1458a_100000211873_200011215066 [0,1,1,0,0,0|1,0,0]=3 2167 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,1,1,0,0,0|1,0,0]=3 2168 B9R0.8 C=CC(=O)N(C)CCCC 1626a_100000207549_100000185746 [0,1,1,0,0,0|2,0,0]=4 2169 B9R0.8 C=CC(=O)N(C)CCCC 240690a_100000207549_200121576911 [0,1,1,0,0,0|2,0,0]=4 2170 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,1,1,0,0,0|1,0,0]=3 2171 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,1,1,0,0,0|1,0,0]=3 2172 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [0,1,1,0,0,0|1,0,0]=3 2173 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,1,1,0,0,0|0,0,0]=2 2174 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,1,1,0,0,0|1,0,0]=3 2175 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,1,1,0,0,0|1,0,0]=3 2176 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,1,1,0,0,0|1,0,0]=3 2177 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,1,1,0,0,0|1,0,0]=3 2178 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,1,1,0,0,0|2,0,0]=4 2179 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [0,1,1,0,0,0|2,0,0]=4 2180 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,1,1,0,0,0|2,0,0]=4 2181 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,1,1,0,0,0|2,0,0]=4 2182 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [0,1,1,0,0,0|2,0,0]=4 2183 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [0,1,1,0,0,0|2,0,0]=4 2184 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [0,1,1,0,0,0|2,0,0]=4 2185 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [0,1,1,0,0,0|2,0,0]=4 2186 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [0,1,1,0,0,0|1,0,0]=3 2187 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [0,1,1,0,0,0|1,0,0]=3 2188 B9R0.8 CCCCN(C)C(=O)NC 2708a_100102657272_100000207549 [0,1,1,0,0,0|2,0,0]=4 2189 B9R0.8 CCCCN(C)C(=O)NC 273464a_100102657272_100000207549 [0,1,1,0,0,0|2,0,0]=4 2190 B9R0.8 CCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210303 [0,1,1,0,0,0|2,0,0]=4 2191 B9R0.8 CCCN[C@H](C)C(=O)NC 34a_100000684985_100000210303 [0,1,1,0,0,0|2,0,0]=4 2192 B9R0.8 CCCOC(C)C(=O)NC 34a_100000210258_100000731044 [0,1,1,0,0,0|2,0,0]=4 2193 B9R0.8 CCCOC(C)C(=O)NN 34a_100000725659_100000210303 [0,1,1,0,0,0|2,0,0]=4 2194 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,1,1,0,0,0|1,0,0]=3 2195 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,1,1,0,0,0|1,0,0]=3 2196 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,1,1,0,0,0|2,0,0]=4 2197 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,1,1,0,0,0|2,0,0]=4 2198 B9R0.8 CCCSC(C)C(=O)NC 62a_100000209862_100000210303 [0,1,1,0,0,0|2,0,0]=4 2199 B9R0.8 CCCSC(C)C(=O)NC 62a_100000210303_100000731044 [0,1,1,0,0,0|2,0,0]=4 2200 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,1,1,0,0,0|1,0,0]=3 2201 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,1,1,0,0,0|1,0,0]=3 2202 B9R0.8 CCNCC(C)C(=O)NC 2230a_100015187722_100000210202 [0,1,1,0,0,0|2,0,0]=4 2203 B9R0.8 CCNCC(C)C(=O)NC 34a_100015187722_100000210202 [0,1,1,0,0,0|2,0,0]=4 2204 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,1,1,0,0,0|1,0,0]=3 2205 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,1,1,0,0,0|1,0,0]=3 2206 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,1,1,0,0,0|1,0,0]=3 2207 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,1,1,0,0,0|2,0,0]=4 2208 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,1,1,0,0,0|2,0,0]=4 2209 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [0,1,1,0,0,0|1,0,0]=3 2210 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [0,1,1,0,0,0|1,0,0]=3 2211 B9R0.8 CN(CCCO)C(=O)CO 240690a_100000213112_100000210174 [0,1,1,0,0,0|2,0,0]=4 2212 B9R0.8 CN(CCCO)C(=O)CO 527a_100000213112_100000210174 [0,1,1,0,0,0|2,0,0]=4 2213 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,1,1,0,0,0|1,0,0]=3 2214 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,1,1,0,0,0|1,0,0]=3 2215 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,1,1,0,0,0|1,0,0]=3 2216 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,1,1,0,0,0|1,0,0]=3 2217 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,1,1,0,0,0|1,0,0]=3 2218 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,1,1,0,0,0|1,0,0]=3 2219 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,1,1,0,0,0|1,0,0]=3 2220 B9R0.8 COC(=O)C(C)COCF 34a_100000749362_100015361967 [0,1,1,0,0,0|2,0,0]=4 2221 B9R0.8 COC(=O)C(C)COCF 7a_100000749362_100015361967 [0,1,1,0,0,0|2,0,0]=4 2222 B9R0.8 COC(=O)C(C)CSCF 62a_100000698445_100015361967 [0,1,1,0,0,0|2,0,0]=4 2223 B9R0.8 COC(=O)C(C)CSCF 62a_100015361967_100000698445 [0,1,1,0,0,0|2,0,0]=4 2224 B9R0.8 COC(=O)C(C)NCCF 34a_100000724931_100000211248 [0,1,1,0,0,0|2,0,0]=4 2225 B9R0.8 COC(=O)C(C)NCCO 2230a_100016997473_100000211248 [0,1,1,0,0,0|2,0,0]=4 2226 B9R0.8 COC(=O)C(C)NCCO 34a_100016990907_100000211248 [0,1,1,0,0,0|2,0,0]=4 2227 B9R0.8 COC(=O)C(C)OCCBr 34a_100000211926_100000211248 [0,1,1,0,0,0|2,0,0]=4 2228 B9R0.8 COC(=O)C(C)OCCF 34a_100011215400_100011217306 [0,1,1,0,0,0|2,0,0]=4 2229 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [0,1,1,0,0,0|2,0,0]=4 2230 B9R0.8 COC(=O)C(C)OCCO 34a_100011215400_100000211926 [0,1,1,0,0,0|2,0,0]=4 2231 B9R0.8 COC(=O)C(C)OCSC 34a_100011215400_100011218213 [0,1,1,0,0,0|2,0,0]=4 2232 B9R0.8 COC(=O)C(C)SCCF 62a_100000211248_100011217306 [0,1,1,0,0,0|2,0,0]=4 2233 B9R0.8 COC(=O)C(C)SCCF 62a_100011217306_100000211248 [0,1,1,0,0,0|2,0,0]=4 2234 B9R0.8 COC(=O)C(C)SCCO 62a_100000211248_100000211926 [0,1,1,0,0,0|2,0,0]=4 2235 B9R0.8 COC(=O)C(C)SCCO 62a_100000211926_100000211248 [0,1,1,0,0,0|2,0,0]=4 2236 B9R0.8 COC(=O)C(C)SCSC 62a_100000211248_100011218213 [0,1,1,0,0,0|2,0,0]=4 2237 B9R0.8 COC(=O)C(C)SCSC 62a_100011218213_100000211248 [0,1,1,0,0,0|2,0,0]=4 2238 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,1,1,0,0,0|1,0,0]=3 2239 B9R0.8 COCCN(C)C(=O)CO 240690a_100000743101_100000210174 [0,1,1,0,0,0|2,0,0]=4 2240 B9R0.8 COCCN(C)C(=O)CO 527a_100000743101_100000210174 [0,1,1,0,0,0|2,0,0]=4 2241 B9R0.8 COCSC(C)C(=O)OC 62a_100000211248_100000766300 [0,1,1,0,0,0|2,0,0]=4 2242 B9R0.8 COCSC(C)C(=O)OC 62a_100000766300_100000211248 [0,1,1,0,0,0|2,0,0]=4 2243 B9R0.8 CSCCN(C)C(=O)CO 240690a_100000686725_100000210174 [0,1,1,0,0,0|2,0,0]=4 2244 B9R0.8 CSCCN(C)C(=O)CO 527a_100000686725_100000210174 [0,1,1,0,0,0|2,0,0]=4 2245 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [0,1,1,0,0,0|1,0,1]=4 2246 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [0,1,1,0,0,0|1,0,0]=3 2247 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [0,1,1,0,0,0|1,0,0]=3 2248 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [0,1,1,0,0,0|1,0,0]=3 2249 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [0,1,1,0,0,0|1,0,0]=3 2250 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [0,1,1,0,0,0|1,0,0]=3 2251 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [0,1,1,0,0,0|1,0,0]=3 2252 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [0,1,1,0,0,0|1,0,0]=3 2253 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [0,1,1,0,0,0|1,0,0]=3 2254 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [0,1,1,0,0,0|1,0,0]=3 2255 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [0,1,1,0,0,0|1,0,0]=3 2256 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [0,1,1,0,0,0|1,0,0]=3 2257 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [0,1,1,0,0,0|2,0,0]=4 2258 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [0,1,1,0,0,0|2,0,0]=4 2259 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [0,1,1,0,0,0|2,0,0]=4 2260 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [0,1,1,0,0,0|2,0,0]=4 2261 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [0,1,1,0,0,0|1,0,0]=3 2262 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [0,1,1,0,0,0|1,0,0]=3 2263 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [0,1,1,0,0,0|1,0,0]=3 2264 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [0,1,1,0,0,0|1,0,0]=3 2265 B9R0.13 CCCNC(CC)C(=O)N 2230a_100000733705_100000210303 [0,1,1,0,0,0|2,0,0]=4 2266 B9R0.13 CCCNC(CC)C(=O)N 34a_100000733705_100000210303 [0,1,1,0,0,0|2,0,0]=4 2267 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [0,1,1,0,0,0|1,0,0]=3 2268 B9R0.13 CCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210303 [0,1,1,0,0,0|2,0,0]=4 2269 B9R0.13 CCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210303 [0,1,1,0,0,0|2,0,0]=4 2270 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [0,1,1,0,0,0|1,0,0]=3 2271 B9R0.13 CCCOC(CC)C(=O)N 34a_100000210258_100000750255 [0,1,1,0,0,0|2,0,0]=4 2272 B9R0.13 CCCSC(CC)C(=O)N 62a_100000210303_100000750255 [0,1,1,0,0,0|2,0,0]=4 2273 B9R0.13 CCCSC(CC)C(=O)N 62a_100000750255_100000210303 [0,1,1,0,0,0|2,0,0]=4 2274 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [0,1,1,0,0,0|2,0,0]=4 2275 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [0,1,1,0,0,0|2,0,0]=4 2276 B9R0.13 CC[C@@H](NCOC)C(=O)O 269956a_100000747097_100000766300 [0,1,1,0,0,0|2,0,0]=4 2277 B9R0.13 CC[C@@H](NCSC)C(=O)O 269956a_100000747097_100011218213 [0,1,1,0,0,0|2,0,0]=4 2278 B9R0.13 CN[C@@H](CCSC)C(=O)N 2230a_100000119342_200000210301 [0,1,1,0,0,0|2,0,0]=4 2279 B9R0.13 CN[C@@H](CCSC)C(=O)N 34a_100000119342_200000210301 [0,1,1,0,0,0|2,0,0]=4 2280 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [0,1,1,0,0,0|1,0,0]=3 2281 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [0,1,1,0,0,0|1,0,0]=3 2282 B9R0.13 COCNC(CO)C(=O)O 269956a_100000187304_100000766300 [0,1,1,0,0,0|2,0,0]=4 2283 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 2230a_100000119342_200025704644 [0,1,1,0,0,0|2,0,0]=4 2284 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 34a_100000119342_200025704644 [0,1,1,0,0,0|2,0,0]=4 2285 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [0,1,1,0,0,0|1,0,0]=3 2286 B9R0.13 CSCNC(CO)C(=O)O 269956a_100000187304_100011218213 [0,1,1,0,0,0|2,0,0]=4 2287 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [0,1,1,0,0,0|1,0,0]=3 2288 B9R0.13 O=C(O)C(CO)NCCF 269956a_100000187304_100011217306 [0,1,1,0,0,0|2,0,0]=4 2289 B9R0.13 O=C(O)C(CO)NCCO 269956a_100000187304_100000211926 [0,1,1,0,0,0|2,0,0]=4 2290 B9R0.42 CCC(C)CN(C)C(=O)C 11a_100000753921_100015343762 [0,1,1,0,0,0|2,0,0]=4 2291 B9R0.42 CCC(C)CN(C)C(=O)C 1626a_100000753921_100015343762 [0,1,1,0,0,0|2,0,0]=4 2292 B9R0.42 CCC(C)CN(C)C(=O)C 240690a_100000753921_100015343762 [0,1,1,0,0,0|2,0,0]=4 2293 B9R0.42 CCC(C)CN(C)C(=O)C 527a_100000753921_100103153847 [0,1,1,0,0,0|2,0,0]=4 2294 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [0,1,1,0,0,0|2,0,0]=4 2295 B9R0.42 CCC(C)NC(C)C(=O)N 2230a_100000209981_100000702099 [0,1,1,0,0,0|2,0,0]=4 2296 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,1,1,0,0,0|1,0,0]=3 2297 B9R0.42 CCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000758301 [0,1,1,0,0,0|2,0,0]=4 2298 B9R0.42 CCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011215416 [0,1,1,0,0,0|2,0,0]=4 2299 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [0,1,1,0,0,0|2,0,0]=4 2300 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [0,1,1,0,0,0|2,0,0]=4 2301 B9R0.42 CCC(C)OC(C)C(=O)N 7a_100000210228_100000702099 [0,1,1,0,0,0|2,0,0]=4 2302 B9R0.42 CCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000758301 [0,1,1,0,0,0|1,0,1]=4 2303 B9R0.42 CCC(C)O[C@H](C)C(=O)N 34a_100000731257_100011215416 [0,1,1,0,0,0|2,0,0]=4 2304 B9R0.42 CCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000758301 [0,1,1,0,0,0|2,0,0]=4 2305 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [0,1,1,0,0,0|2,0,0]=4 2306 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [0,1,1,0,0,0|2,0,0]=4 2307 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000702099_100000758301 [0,1,1,0,0,0|2,0,0]=4 2308 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000758301_100000702099 [0,1,1,0,0,0|2,0,0]=4 2309 B9R0.42 CCN(C)CC(C)C(=O)C 1458a_200015185930_200000210301 [0,1,1,0,0,0|2,0,0]=4 2310 B9R0.42 CCN(C)CC(C)C(=O)[13CH3] 1458a_200015185930_200025704644 [0,1,1,0,0,0|2,0,0]=4 2311 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [0,1,1,0,0,0|2,0,0]=4 2312 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,1,1,0,0,0|2,0,0]=4 2313 B9R0.51 CC(C)(CNCF)C(=O)O 269956a_100000693527_100015361967 [0,1,1,0,0,0|2,0,0]=4 2314 B9R0.51 CCCCC(C)(C)C(=O)C 1458a_100011216040_200000210301 [0,1,1,0,0,0|1,0,0]=3 2315 B9R0.51 CCCCC(C)(C)C(=O)[13CH3] 1458a_100011216040_200025704644 [0,1,1,0,0,0|1,0,0]=3 2316 B9R0.51 CCCCC(C)(O)C(=O)C 1458a_100000137666_200000210301 [0,1,1,0,0,0|1,0,0]=3 2317 B9R0.51 CCCCC(C)(O)C(=O)[13CH3] 1458a_100000137666_200025704644 [0,1,1,0,0,0|1,0,0]=3 2318 B9R0.51 CCCCC(F)(F)C(=O)C 1458a_100000100317_200000210301 [0,1,1,0,0,0|2,0,0]=4 2319 B9R0.51 CCCCC(F)(F)C(=O)[13CH3] 1458a_100000100317_200025704644 [0,1,1,0,0,0|2,0,0]=4 2320 B9R0.51 CCCNC(C)(C)C(=O)N 2230a_100000743658_100000210303 [0,1,1,0,0,0|2,0,0]=4 2321 B9R0.51 CCCNC(C)(C)C(=O)N 34a_100000743658_100000210303 [0,1,1,0,0,0|2,0,0]=4 2322 B9R0.51 CCCOC(C)(C)C(=O)C 34a_100000747739_100000210303 [0,1,1,0,0,0|2,0,0]=4 2323 B9R0.51 CCCOC(C)(C)C(=O)C 7a_100000747739_100000210303 [0,1,1,0,0,0|2,0,0]=4 2324 B9R0.51 CCCOC(C)(C)C(=O)N 34a_100000210258_100000702505 [0,1,1,0,0,0|2,0,0]=4 2325 B9R0.51 CCCOC(C)(C)C(=O)N 34a_100011626353_100000210303 [0,1,1,0,0,0|2,0,0]=4 2326 B9R0.51 CCCOC(C)(C)C(=O)N 7a_100011626353_100000210303 [0,1,1,0,0,0|2,0,0]=4 2327 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000075568_100000210303 [0,1,1,0,0,0|2,0,0]=4 2328 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000210303_100000075568 [0,1,1,0,0,0|2,0,0]=4 2329 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000210303_100000702505 [0,1,1,0,0,0|2,0,0]=4 2330 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000702505_100000210303 [0,1,1,0,0,0|2,0,0]=4 2331 B9R0.51 CCNCC(C)(C)C(=O)N 2230a_100000740840_100000210202 [0,1,1,0,0,0|2,0,0]=4 2332 B9R0.51 CCNCC(C)(C)C(=O)N 34a_100000740840_100000210202 [0,1,1,0,0,0|2,0,0]=4 2333 B9R0.51 CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210202 [0,1,1,0,0,0|1,0,0]=3 2334 B9R0.51 CCNCC(F)(F)C(=O)O 269956a_100000734215_100000210202 [0,1,1,0,0,0|2,0,0]=4 2335 B9R0.51 CCNOC(C)(C)C(=O)O 269956a_100016989451_100000210202 [0,1,1,0,0,0|2,0,0]=4 2336 B9R0.51 CCOCC(C)(C)C(=O)N 34a_100121572206_200009895572 [0,1,1,0,0,0|2,0,0]=4 2337 B9R0.51 CCSCC(C)(C)C(=O)N 62a_100000210202_200009895572 [0,1,1,0,0,0|2,0,0]=4 2338 B9R0.51 CCSCC(C)(C)C(=O)N 62a_200009895572_100000210202 [0,1,1,0,0,0|2,0,0]=4 2339 B9R0.12 C#CC(=O)C(CC)CCC 1458a_100000211873_100011219200 [0,1,1,0,0,0|1,0,0]=3 2340 B9R0.12 C=CC(=O)C(CC)CCC 1458a_100000185746_100011219200 [0,1,1,0,0,0|1,0,0]=3 2341 B9R0.12 C=CC(=O)N(CC)CCC 1626a_100000226822_100000185746 [0,1,1,0,0,0|2,0,0]=4 2342 B9R0.12 C=CC(=O)N(CC)CCC 240690a_100000226822_200121576911 [0,1,1,0,0,0|2,0,0]=4 2343 B9R0.12 CCC(OCF)C(=O)OC 34a_100000695916_100015361967 [0,1,1,0,0,0|2,0,0]=4 2344 B9R0.12 CCC(OCF)C(=O)OC 7a_100000695916_100015361967 [0,1,1,0,0,0|2,0,0]=4 2345 B9R0.12 CCC(SCF)C(=O)OC 62a_100000235869_100015361967 [0,1,1,0,0,0|2,0,0]=4 2346 B9R0.12 CCC(SCF)C(=O)OC 62a_100015361967_100000235869 [0,1,1,0,0,0|2,0,0]=4 2347 B9R0.12 CCCC(CC)C(=O)CC 1458a_100000210414_100011219200 [0,1,1,0,0,0|1,0,0]=3 2348 B9R0.12 CCCC(CC)C(=O)CC 1458a_100011416436_100000210202 [0,1,1,0,0,0|1,0,0]=3 2349 B9R0.12 CCCC(CC)C(=O)CF 1458a_100011416436_100015361967 [0,1,1,0,0,0|1,0,0]=3 2350 B9R0.12 CCCC(CC)C(=O)CO 1458a_100000210174_100011219200 [0,1,1,0,0,0|0,0,0]=2 2351 B9R0.12 CCCC(CC)C(=O)NC 11a_106832991635_100011416436 [0,1,1,0,0,0|1,0,0]=3 2352 B9R0.12 CCCC(CC)C(=O)NC 1626a_100102657272_100011416436 [0,1,1,0,0,0|1,0,0]=3 2353 B9R0.12 CCCC(CC)C(=O)NC 240690a_100102657272_100011416436 [0,1,1,0,0,0|1,0,0]=3 2354 B9R0.12 CCCC(CC)C(=O)NC 527a_100102657272_100011416436 [0,1,1,0,0,0|1,0,0]=3 2355 B9R0.12 CCCC(NC)C(=O)NC 2230a_106256046333_200000210301 [0,1,1,0,0,0|2,0,0]=4 2356 B9R0.12 CCCC(NC)C(=O)NC 34a_106256046333_200000210301 [0,1,1,0,0,0|2,0,0]=4 2357 B9R0.12 CCCC(NC)C(=O)OC 2230a_106832991635_200009843822 [0,1,1,0,0,0|1,0,0]=3 2358 B9R0.12 CCCC(NC)C(=O)OC 34a_100102657272_200009843822 [0,1,1,0,0,0|1,0,0]=3 2359 B9R0.12 CCCC(NC)C(=O)OC 7a_106832991635_200009843822 [0,1,1,0,0,0|1,0,0]=3 2360 B9R0.12 CCCC(N[13CH3])C(=O)NC 2230a_106256046333_200025704644 [0,1,1,0,0,0|2,0,0]=4 2361 B9R0.12 CCCC(N[13CH3])C(=O)NC 34a_106256046333_200025704644 [0,1,1,0,0,0|2,0,0]=4 2362 B9R0.12 CCCC(OC)C(=O)OC 34a_100138415774_200009843822 [0,1,1,0,0,0|1,0,0]=3 2363 B9R0.12 CCCC(SC)C(=O)OC 62a_200000210301_200009843822 [0,1,1,0,0,0|1,0,0]=3 2364 B9R0.12 CCCC(SC)C(=O)OC 62a_200009843822_200000210301 [0,1,1,0,0,0|1,0,0]=3 2365 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200009843822_200025704644 [0,1,1,0,0,0|1,0,0]=3 2366 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200025704644_200009843822 [0,1,1,0,0,0|1,0,0]=3 2367 B9R0.12 CCCN(CC)C(=O)CC 11a_100000226822_100000210414 [0,1,1,0,0,0|2,0,0]=4 2368 B9R0.12 CCCN(CC)C(=O)CC 1626a_100000226822_100000210414 [0,1,1,0,0,0|2,0,0]=4 2369 B9R0.12 CCCN(CC)C(=O)CC 240690a_100000226822_100000210414 [0,1,1,0,0,0|2,0,0]=4 2370 B9R0.12 CCCN(CC)C(=O)CC 527a_100000226822_100000210414 [0,1,1,0,0,0|2,0,0]=4 2371 B9R0.12 CCCN(CC)C(=O)CO 240690a_100000226822_100000210174 [0,1,1,0,0,0|1,0,0]=3 2372 B9R0.12 CCCN(CC)C(=O)CO 527a_100000226822_100000210174 [0,1,1,0,0,0|1,0,0]=3 2373 B9R0.12 CCCN(CC)C(=O)NC 2708a_100102657272_100000226822 [0,1,1,0,0,0|2,0,0]=4 2374 B9R0.12 CCCN(CC)C(=O)NC 273464a_100102657272_100000226822 [0,1,1,0,0,0|2,0,0]=4 2375 B9R0.12 CCN(CCO)C(=O)CO 240690a_100000210973_100000210174 [0,1,1,0,0,0|2,0,0]=4 2376 B9R0.12 CCN(CCO)C(=O)CO 527a_100000210973_100000210174 [0,1,1,0,0,0|2,0,0]=4 2377 B9R0.12 CCNC(CC)C(=O)OC 2230a_100015525214_100000235869 [0,1,1,0,0,0|1,0,0]=3 2378 B9R0.12 CCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000210202 [0,1,1,0,0,0|2,0,0]=4 2379 B9R0.12 CCN[C@@H](CC)C(=O)NC 34a_106657271573_100000210202 [0,1,1,0,0,0|2,0,0]=4 2380 B9R0.12 CCOC(CC)C(=O)CC 34a_200011218131_100000210202 [0,1,1,0,0,0|2,0,0]=4 2381 B9R0.12 CCOC(CC)C(=O)CC 7a_200011218131_100000210202 [0,1,1,0,0,0|2,0,0]=4 2382 B9R0.12 CCOC(CC)C(=O)OC 34a_100000695916_100000210202 [0,1,1,0,0,0|1,0,0]=3 2383 B9R0.12 CCOC(CC)C(=O)OC 34a_100121572206_100000235869 [0,1,1,0,0,0|1,0,0]=3 2384 B9R0.12 CCOC(CC)C(=O)OC 7a_100000695916_100000210202 [0,1,1,0,0,0|1,0,0]=3 2385 B9R0.12 CCOC(CN)C(=O)OC 34a_100000695228_100000210202 [0,1,1,0,0,0|2,0,0]=4 2386 B9R0.12 CCOC(CO)C(=O)OC 34a_100121572206_100012276630 [0,1,1,0,0,0|2,0,0]=4 2387 B9R0.12 CCOC(OC)C(=O)OC 34a_100000036821_100000210202 [0,1,1,0,0,0|2,0,0]=4 2388 B9R0.12 CCOC(OC)C(=O)OC 34a_100121572206_100000101307 [0,1,1,0,0,0|2,0,0]=4 2389 B9R0.12 CCSC(CC)C(=O)OC 62a_100000210202_100000235869 [0,1,1,0,0,0|1,0,0]=3 2390 B9R0.12 CCSC(CC)C(=O)OC 62a_100000235869_100000210202 [0,1,1,0,0,0|1,0,0]=3 2391 B9R0.12 CCSC(CO)C(=O)OC 62a_100000210202_100012276630 [0,1,1,0,0,0|2,0,0]=4 2392 B9R0.12 CCSC(CO)C(=O)OC 62a_100012276630_100000210202 [0,1,1,0,0,0|2,0,0]=4 2393 B9R0.12 CCSC(OC)C(=O)OC 62a_100000101307_100000210202 [0,1,1,0,0,0|2,0,0]=4 2394 B9R0.12 CCSC(OC)C(=O)OC 62a_100000210202_100000101307 [0,1,1,0,0,0|2,0,0]=4 2395 B9R0.12 CNC(COC)C(=O)OC 34a_100102657272_100000717350 [0,1,1,0,0,0|2,0,0]=4 2396 B9R0.12 COCC(OC)C(=O)OC 34a_100138415774_100000717350 [0,1,1,0,0,0|2,0,0]=4 2397 B9R0.12 COCC(SC)C(=O)OC 62a_100000717350_200000210301 [0,1,1,0,0,0|2,0,0]=4 2398 B9R0.12 COCC(SC)C(=O)OC 62a_200000210301_100000717350 [0,1,1,0,0,0|2,0,0]=4 2399 B9R0.12 COCC(S[13CH3])C(=O)OC 62a_100000717350_200025704644 [0,1,1,0,0,0|2,0,0]=4 2400 B9R0.12 COCC(S[13CH3])C(=O)OC 62a_200025704644_100000717350 [0,1,1,0,0,0|2,0,0]=4 2401 B9R0.15 CCCC(CCC)C(=O)C 1458a_100000070787_200011218217 [0,1,1,0,0,0|1,0,0]=3 2402 B9R0.15 CCCC(CCC)C(=O)C 1458a_100011215354_200000210301 [0,1,1,0,0,0|1,0,0]=3 2403 B9R0.15 CCCC(CCC)C(=O)[13CH3] 1458a_100011215354_200025704644 [0,1,1,0,0,0|1,0,0]=3 2404 B9R0.15 CCCC(OCC)C(=O)N 34a_100011626294_100000210202 [0,1,1,0,0,0|1,0,0]=3 2405 B9R0.15 CCCC(OCC)C(=O)N 7a_100011626294_100000210202 [0,1,1,0,0,0|1,0,0]=3 2406 B9R0.15 CCCC(OCF)C(=O)N 34a_100011626294_100015361967 [0,1,1,0,0,0|2,0,0]=4 2407 B9R0.15 CCCC(OCF)C(=O)N 7a_100011626294_100015361967 [0,1,1,0,0,0|2,0,0]=4 2408 B9R0.15 CCCN(CCC)C(=O)C 11a_100000210455_100015343762 [0,1,1,0,0,0|2,0,0]=4 2409 B9R0.15 CCCN(CCC)C(=O)C 1626a_100000210455_100015343762 [0,1,1,0,0,0|2,0,0]=4 2410 B9R0.15 CCCN(CCC)C(=O)C 240690a_100000210455_100015343762 [0,1,1,0,0,0|2,0,0]=4 2411 B9R0.15 CCCN(CCC)C(=O)C 527a_100000210455_100103153847 [0,1,1,0,0,0|2,0,0]=4 2412 B9R0.15 CCCN(CCO)C(=O)C 240690a_100000211420_100015343762 [0,1,1,0,0,0|2,0,0]=4 2413 B9R0.15 CCC[C@H](NCC)C(=O)N 2230a_100000729256_100000210202 [0,1,1,0,0,0|1,0,0]=3 2414 B9R0.15 CCC[C@H](NCC)C(=O)N 34a_100000729256_100000210202 [0,1,1,0,0,0|1,0,0]=3 2415 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [0,1,1,0,0,0|0,0,0]=2 2416 B9R0.15 CCC[C@H](NCF)C(=O)N 34a_100000729256_100015361967 [0,1,1,0,0,0|2,0,0]=4 2417 B9R0.15 CCC[C@H](NCF)C(=O)O 269956a_100000750406_100015361967 [0,1,1,0,0,0|1,0,0]=3 2418 B9R0.15 CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210202 [0,1,1,0,0,0|1,0,0]=3 2419 B9R0.15 CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210202 [0,1,1,0,0,0|1,0,0]=3 2420 B9R0.15 CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210202 [0,1,1,0,0,0|1,0,0]=3 2421 B9R0.15 CCOC(OCC)C(=O)C 1458a_100000082760_200000210301 [0,1,1,0,0,0|2,0,0]=4 2422 B9R0.15 CCOC(OCC)C(=O)[13CH3] 1458a_100000082760_200025704644 [0,1,1,0,0,0|2,0,0]=4 2423 B9R0.15 COC[C@@H](NCF)C(=O)O 269956a_100011998655_100015361967 [0,1,1,0,0,0|2,0,0]=4 2424 B9R0.15 CSC[C@H](NCF)C(=O)O 269956a_100011421858_100015361967 [0,1,1,0,0,0|2,0,0]=4 2425 B9R0.15 C[Se]C[C@H](NCF)C(=O)O 269956a_100015254316_100015361967 [0,1,1,0,0,0|2,0,0]=4 2426 B9R0.29 CCC(=O)C(CC)C(=O)N 1458a_100000210414_100000750255 [0,1,1,0,0,0|1,0,1]=4 2427 B9R0.29 CCC(C(=O)C)N(C)CC 1458a_100011345578_200000210301 [0,1,1,0,0,0|2,0,0]=4 2428 B9R0.29 CCC(C(=O)N)N(C)CC 2230a_100000225621_100000750255 [0,1,1,0,0,0|2,0,0]=4 2429 B9R0.29 CCC(C(=O)N)N(C)CC 269982a_100000225621_100000750255 [0,1,1,0,0,0|2,0,0]=4 2430 B9R0.29 CCC(C(=O)[13CH3])N(C)CC 1458a_100011345578_200025704644 [0,1,1,0,0,0|2,0,0]=4 2431 B9R0.29 CCC(C)N(CC)C(=O)C 11a_100000732650_100015343762 [0,1,1,0,0,0|2,0,0]=4 2432 B9R0.29 CCC(C)N(CC)C(=O)C 1626a_100000732650_100015343762 [0,1,1,0,0,0|2,0,0]=4 2433 B9R0.29 CCC(C)N(CC)C(=O)C 240690a_100000732650_100015343762 [0,1,1,0,0,0|2,0,0]=4 2434 B9R0.29 CCC(C)N(CC)C(=O)C 527a_100000732650_100103153847 [0,1,1,0,0,0|2,0,0]=4 2435 B9R0.29 CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210202 [0,1,1,0,0,0|2,0,0]=4 2436 B9R0.29 CC[C@@H](C(=O)N)N(C)CC 2230a_103436537554_100000210202 [0,1,1,0,0,0|2,0,0]=4 2437 B9R0.29 CC[C@@H](C(=O)N)N(C)CC 269982a_103436537554_100000204670 [0,1,1,0,0,0|2,0,0]=4 2438 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O 269956a_100009815163_200000210301 [0,1,1,0,0,0|1,0,0]=3 2439 B9R0.29 CC[C@H](C)[C@@H](N[13CH3])C(=O)O 269956a_100009815163_200025704644 [0,1,1,0,0,0|1,0,0]=3 2440 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)N 2230a_100000758034_200000210301 [0,1,1,0,0,0|2,0,0]=4 2441 B9R0.29 CC[C@H](C)[C@H](N[13CH3])C(=O)N 2230a_100000758034_200025704644 [0,1,1,0,0,0|2,0,0]=4 2442 B9R0.29 CN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_200000210301 [0,1,1,0,0,0|2,0,0]=4 2443 B9R0.29 CO[C@H](C)[C@H](N[13CH3])C(=O)O 269956a_100015335849_200025704644 [0,1,1,0,0,0|2,0,0]=4 2444 B9R0.33 CC(C)[C@@H](NCF)C(=O)O 269956a_100000745019_100015361967 [0,1,1,0,0,0|2,0,0]=4 2445 B9R0.33 CC(O)C(NCF)C(=O)O 269956a_100000185852_100015361967 [0,1,1,0,0,0|2,0,0]=4 2446 B9R0.33 CCCN(C(=O)C)C(C)C 11a_106256033942_100015343762 [0,1,1,0,0,0|2,0,0]=4 2447 B9R0.33 CCCN(C(=O)C)C(C)C 1626a_106256033942_100015343762 [0,1,1,0,0,0|2,0,0]=4 2448 B9R0.33 CCCN(C(=O)C)C(C)C 240690a_106256033942_100015343762 [0,1,1,0,0,0|2,0,0]=4 2449 B9R0.33 CCCN(C(=O)C)C(C)C 527a_106256033942_100103153847 [0,1,1,0,0,0|2,0,0]=4 2450 B9R0.33 CCNC(C(=O)O)C(C)O 269956a_100000185852_100000210202 [0,1,1,0,0,0|1,0,0]=3 2451 B9R0.33 CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210202 [0,1,1,0,0,0|1,0,0]=3 2452 B9R0.33 CCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000210202 [0,1,1,0,0,0|2,0,0]=4 2453 B9R0.33 CCOC(C(=O)N)C(C)C 34a_100121572206_100000230017 [0,1,1,0,0,0|2,0,0]=4 2454 B9R0.33 CCSC(C(=O)C)C(C)C 1458a_100000750736_200000210301 [0,1,1,0,0,0|2,0,0]=4 2455 B9R0.33 CCSC(C(=O)N)C(C)C 62a_100000210202_100000230017 [0,1,1,0,0,0|2,0,0]=4 2456 B9R0.33 CCSC(C(=O)N)C(C)C 62a_100000230017_100000210202 [0,1,1,0,0,0|2,0,0]=4 2457 B9R0.33 CCSC(C(=O)[13CH3])C(C)C 1458a_100000750736_200025704644 [0,1,1,0,0,0|2,0,0]=4 2458 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 2230a_100016989234_200025704644 [0,1,1,0,0,0|2,0,0]=4 2459 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 34a_100016989234_200025704644 [0,1,1,0,0,0|2,0,0]=4 2460 B9R0.39 CC(C)NC(CO)C(=O)O 269956a_100000187304_100000210206 [0,1,1,0,0,0|2,0,0]=4 2461 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100000733705_100000210206 [0,1,1,0,0,0|2,0,0]=4 2462 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100138425928_100000750255 [0,1,1,0,0,0|2,0,0]=4 2463 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100000733705_100000210206 [0,1,1,0,0,0|2,0,0]=4 2464 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100138425928_100000750255 [0,1,1,0,0,0|2,0,0]=4 2465 B9R0.39 CCC(OC(C)C)C(=O)N 34a_100000212225_100000750255 [0,1,1,0,0,0|2,0,0]=4 2466 B9R0.39 CCC(SC(C)C)C(=O)N 62a_100000210206_100000750255 [0,1,1,0,0,0|2,0,0]=4 2467 B9R0.39 CCC(SC(C)C)C(=O)N 62a_100000750255_100000210206 [0,1,1,0,0,0|2,0,0]=4 2468 B9R0.39 CCN(CC(C)C)C(=O)C 11a_100000738554_100015343762 [0,1,1,0,0,0|2,0,0]=4 2469 B9R0.39 CCN(CC(C)C)C(=O)C 1626a_100000738554_100015343762 [0,1,1,0,0,0|2,0,0]=4 2470 B9R0.39 CCN(CC(C)C)C(=O)C 240690a_100000738554_100015343762 [0,1,1,0,0,0|2,0,0]=4 2471 B9R0.39 CCN(CC(C)C)C(=O)C 527a_100000738554_100103153847 [0,1,1,0,0,0|2,0,0]=4 2472 B9R0.39 CCN(C[C@H](C)O)C(=O)C 240690a_100000729506_100015343762 [0,1,1,0,0,0|2,0,0]=4 2473 B9R0.39 CCN(C[C@H](C)O)C(=O)C 527a_100000729506_100103153847 [0,1,1,0,0,0|2,0,0]=4 2474 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [0,1,1,0,0,0|1,0,0]=3 2475 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_200000210301 [0,1,1,0,0,0|2,0,0]=4 2476 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_200000210301 [0,1,1,0,0,0|2,0,0]=4 2477 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [0,1,1,0,0,0|2,0,0]=4 2478 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [0,1,1,0,0,0|2,0,0]=4 2479 B9R0.74 CCC(C)(NCF)C(=O)O 269956a_100025756313_100015361967 [0,1,1,0,0,0|2,0,0]=4 2480 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_100000070787_200000040151 [0,1,1,0,0,0|1,0,0]=3 2481 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_200000724995_200000210301 [0,1,1,0,0,0|1,0,0]=3 2482 B9R0.74 CCCC(C)(CC)C(=O)[13CH3] 1458a_200000724995_200025704644 [0,1,1,0,0,0|1,0,0]=3 2483 B9R0.74 CCNC(C)(CC)C(=O)O 269956a_100025756313_100000210202 [0,1,1,0,0,0|1,0,0]=3 2484 B9R1.1 CC1CCC(CC1)O[13CH3] 34a_100000210714_200025704644 [1,1,0,0,0,0|2,0,0]=4 2485 B9R1.1 CC1CCC(CC1)O[13CH3] 7a_100000210714_200025704644 [1,1,0,0,0,0|2,0,0]=4 2486 B9R1.1 CC1CCC(CC1)S[13CH3] 62a_200025704644_200011216234 [1,1,0,0,0,0|2,0,0]=4 2487 B9R1.1 CN1CCC(CC1)CO 2230a_100000738675_200000210301 [1,1,0,0,0,0|1,0,1]=4 2488 B9R1.1 CN1CCC(CC1)CO 269982a_100000738675_200000210301 [1,1,0,0,0,0|1,0,1]=4 2489 B9R1.1 CN1CCC(CC1)CO 34a_100000738675_200000210301 [1,1,0,0,0,0|1,0,1]=4 2490 B9R1.1 CNC1CCC(CC1)C 270004a_106832991635_100000185489 [1,1,0,0,0,0|2,0,0]=4 2491 B9R1.1 CNC1CCC(CC1)C 34a_100102657272_200011216234 [1,1,0,0,0,0|2,0,0]=4 2492 B9R1.1 CNC1CCC(CC1)O 270004a_106832991635_100000764474 [1,1,0,0,0,0|2,0,0]=4 2493 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 2230a_100020625639_200000210301 [1,1,0,0,0,0|2,0,0]=4 2494 B9R1.1 CN[C@H]1CC[C@@H](CC1)C 34a_100020625639_200000210301 [1,1,0,0,0,0|2,0,0]=4 2495 B9R1.1 COC1CCC(CC1)C 34a_100000210714_200000210301 [1,1,0,0,0,0|2,0,0]=4 2496 B9R1.1 COC1CCC(CC1)C 34a_100138415774_200011216234 [1,1,0,0,0,0|2,0,0]=4 2497 B9R1.1 COC1CCC(CC1)C 7a_100000210714_200000210301 [1,1,0,0,0,0|2,0,0]=4 2498 B9R1.1 CO[C@H]1CC[C@H](CC1)N 34a_100020628982_200000210301 [1,1,0,0,0,0|2,0,0]=4 2499 B9R1.1 CSC1CCC(CC1)C 62a_200000210301_200011216234 [1,1,0,0,0,0|2,0,0]=4 2500 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 2230a_100020625639_200025704644 [1,1,0,0,0,0|2,0,0]=4 2501 B9R1.1 C[C@H]1CC[C@@H](CC1)N[13CH3] 34a_100020625639_200025704644 [1,1,0,0,0,0|2,0,0]=4 2502 B9R1.1 [13CH3]N1CCC(CC1)CO 2230a_100000738675_200025704644 [1,1,0,0,0,0|1,0,1]=4 2503 B9R1.1 [13CH3]N1CCC(CC1)CO 269982a_100000738675_200025704644 [1,1,0,0,0,0|1,0,1]=4 2504 B9R1.1 [13CH3]N1CCC(CC1)CO 34a_100000738675_200025704644 [1,1,0,0,0,0|1,0,1]=4 2505 B9R1.1 [13CH3]O[C@H]1CC[C@H](CC1)N 34a_100020628982_200025704644 [1,1,0,0,0,0|2,0,0]=4 2506 B9R1.2 CC1CCCC(C1)N[13CH3] 2230a_100011194320_200025704644 [1,1,0,0,0,0|2,0,0]=4 2507 B9R1.2 CC1CCCC(C1)N[13CH3] 34a_100011194320_200025704644 [1,1,0,0,0,0|2,0,0]=4 2508 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [1,1,0,0,0,0|2,0,0]=4 2509 B9R1.2 CN1CCCC(C1)CO 2230a_100000211344_200000210301 [1,1,0,0,0,0|1,0,1]=4 2510 B9R1.2 CN1CCCC(C1)CO 269982a_100000211344_200000210301 [1,1,0,0,0,0|1,0,1]=4 2511 B9R1.2 CN1CCCC(C1)CO 34a_100000211344_200000210301 [1,1,0,0,0,0|1,0,1]=4 2512 B9R1.2 CNC1CCCC(C1)C 2230a_100011194320_200000210301 [1,1,0,0,0,0|2,0,0]=4 2513 B9R1.2 CNC1CCCC(C1)C 270004a_106832991635_100000183594 [1,1,0,0,0,0|2,0,0]=4 2514 B9R1.2 CNC1CCCC(C1)C 34a_100011194320_200000210301 [1,1,0,0,0,0|2,0,0]=4 2515 B9R1.2 CNC1CCCC(C1)O 2230a_100015190357_200000210301 [1,1,0,0,0,0|2,0,0]=4 2516 B9R1.2 CNC1CCCC(C1)O 270004a_106832991635_100012613340 [1,1,0,0,0,0|2,0,0]=4 2517 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [1,1,0,0,0,0|2,0,0]=4 2518 B9R1.2 [13CH3]N1CCCC(C1)CO 2230a_100000211344_200025704644 [1,1,0,0,0,0|1,0,1]=4 2519 B9R1.2 [13CH3]N1CCCC(C1)CO 269982a_100000211344_200025704644 [1,1,0,0,0,0|1,0,1]=4 2520 B9R1.2 [13CH3]N1CCCC(C1)CO 34a_100000211344_200025704644 [1,1,0,0,0,0|1,0,1]=4 2521 B9R1.2 [13CH3]NC1CCCC(C1)O 2230a_100015190357_200025704644 [1,1,0,0,0,0|2,0,0]=4 2522 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [1,1,0,0,0,0|1,0,1]=4 2523 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [1,1,0,0,0,0|1,0,1]=4 2524 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [1,1,0,0,0,0|1,0,1]=4 2525 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [1,1,0,0,0,0|1,0,1]=4 2526 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [1,1,0,0,0,0|1,0,1]=4 2527 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [1,1,0,0,0,0|1,0,1]=4 2528 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [1,1,0,0,0,0|1,0,1]=4 2529 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [1,1,0,0,0,0|1,0,1]=4 2530 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [1,1,0,0,0,0|1,0,1]=4 2531 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [1,1,0,0,0,0|1,0,1]=4 2532 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [1,1,0,0,0,0|1,0,1]=4 2533 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [1,1,0,0,0,0|1,0,1]=4 2534 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [1,1,0,0,0,0|1,0,1]=4 2535 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [1,1,0,0,0,0|1,0,1]=4 2536 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [1,1,0,0,0,0|0,0,1]=3 2537 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [1,1,0,0,0,0|0,0,1]=3 2538 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [1,1,0,0,0,0|0,0,1]=3 2539 B9R1.8 COCC1CCCCN1 34a_100000210821_200000210301 [1,1,0,0,0,0|1,0,1]=4 2540 B9R1.8 COCC1CCCCO1 34a_100000211370_200000210301 [1,1,0,0,0,0|1,0,1]=4 2541 B9R1.8 COCC1CCCCO1 34a_100138415774_100000211543 [1,1,0,0,0,0|1,0,1]=4 2542 B9R1.8 COCC1CCCCO1 7a_100000211370_200000210301 [1,1,0,0,0,0|1,0,1]=4 2543 B9R1.8 COCC1CCCNC1 34a_100000211344_200000210301 [1,1,0,0,0,0|1,0,1]=4 2544 B9R1.8 COCC1CCCOC1 34a_100000741520_200000210301 [1,1,0,0,0,0|1,0,1]=4 2545 B9R1.8 COCC1CCCOC1 34a_100138415774_100000741521 [1,1,0,0,0,0|1,0,1]=4 2546 B9R1.8 COCC1CCNCC1 34a_100000738675_200000210301 [1,1,0,0,0,0|1,0,1]=4 2547 B9R1.8 COCC1CCOCC1 34a_100000749013_200000210301 [1,1,0,0,0,0|1,0,1]=4 2548 B9R1.8 COCC1CCOCC1 34a_100138415774_100000754603 [1,1,0,0,0,0|1,0,1]=4 2549 B9R1.8 COCC1CCSCC1 34a_100000070558_200000210301 [1,1,0,0,0,0|1,0,1]=4 2550 B9R1.8 COCC1CCSCC1 7a_100000070558_200000210301 [1,1,0,0,0,0|1,0,1]=4 2551 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [1,1,0,0,0,0|0,1,1]=4 2552 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [1,1,0,0,0,0|0,1,1]=4 2553 B9R1.8 FCNC1CCCCC1 34a_100000182618_100015361967 [1,1,0,0,0,0|1,0,1]=4 2554 B9R1.8 FCOC1CCCCC1 34a_100000210231_100015361967 [1,1,0,0,0,0|1,0,1]=4 2555 B9R1.8 FCOC1CCCCC1 7a_100000210231_100015361967 [1,1,0,0,0,0|1,0,1]=4 2556 B9R1.8 FCSC1CCCCC1 62a_100000210327_100015361967 [1,1,0,0,0,0|1,0,1]=4 2557 B9R1.8 FCSC1CCCCC1 62a_100015361967_100000210327 [1,1,0,0,0,0|1,0,1]=4 2558 B9R1.8 O=CCN1CCCOC1 2230a_100000131196_200015260668 [1,1,0,0,0,0|2,0,0]=4 2559 B9R1.8 O=CCN1CCCOC1 269982a_100000131196_200015260668 [1,1,0,0,0,0|2,0,0]=4 2560 B9R1.8 O=CCN1CCCOC1 34a_100000131196_200009817547 [1,1,0,0,0,0|2,0,0]=4 2561 B9R1.8 O=CCN1CCOCC1 2230a_100015191051_200015260668 [1,1,0,0,0,0|2,0,0]=4 2562 B9R1.8 O=CCN1CCOCC1 269982a_100015191051_200015260668 [1,1,0,0,0,0|2,0,0]=4 2563 B9R1.8 O=CCN1CCOCC1 34a_100015191051_200009817547 [1,1,0,0,0,0|2,0,0]=4 2564 B9R1.8 O=CCN1CCSCC1 2230a_100000737611_200015260668 [1,1,0,0,0,0|2,0,0]=4 2565 B9R1.8 O=CCN1CCSCC1 269982a_100000737611_200015260668 [1,1,0,0,0,0|2,0,0]=4 2566 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [1,1,0,0,0,0|1,0,1]=4 2567 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [1,1,0,0,0,0|1,0,1]=4 2568 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [1,1,0,0,0,0|0,0,1]=3 2569 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [1,1,0,0,0,0|0,0,1]=3 2570 B9R1.8 [13CH3]OCC1CCCCN1 34a_100000210821_200025704644 [1,1,0,0,0,0|1,0,1]=4 2571 B9R1.8 [13CH3]OCC1CCCCO1 34a_100000211370_200025704644 [1,1,0,0,0,0|1,0,1]=4 2572 B9R1.8 [13CH3]OCC1CCCCO1 7a_100000211370_200025704644 [1,1,0,0,0,0|1,0,1]=4 2573 B9R1.8 [13CH3]OCC1CCCNC1 34a_100000211344_200025704644 [1,1,0,0,0,0|1,0,1]=4 2574 B9R1.8 [13CH3]OCC1CCCOC1 34a_100000741520_200025704644 [1,1,0,0,0,0|1,0,1]=4 2575 B9R1.8 [13CH3]OCC1CCNCC1 34a_100000738675_200025704644 [1,1,0,0,0,0|1,0,1]=4 2576 B9R1.8 [13CH3]OCC1CCOCC1 34a_100000749013_200025704644 [1,1,0,0,0,0|1,0,1]=4 2577 B9R1.8 [13CH3]OCC1CCSCC1 34a_100000070558_200025704644 [1,1,0,0,0,0|1,0,1]=4 2578 B9R1.8 [13CH3]OCC1CCSCC1 7a_100000070558_200025704644 [1,1,0,0,0,0|1,0,1]=4 2579 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [1,1,0,0,0,0|0,1,1]=4 2580 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [1,1,0,0,0,0|0,1,1]=4 2581 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [1,1,0,0,0,0|2,0,0]=4 2582 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [1,1,0,0,0,0|2,0,0]=4 2583 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [1,1,0,0,0,0|2,0,0]=4 2584 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [1,1,0,0,0,0|2,0,0]=4 2585 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [1,1,0,0,0,0|1,0,1]=4 2586 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [1,1,0,0,0,0|1,0,1]=4 2587 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [1,1,0,0,0,0|1,0,1]=4 2588 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [1,1,0,0,0,0|2,0,0]=4 2589 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [1,1,0,0,0,0|2,0,0]=4 2590 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [1,1,0,0,0,0|2,0,0]=4 2591 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [1,1,0,0,0,0|2,0,0]=4 2592 B9R1.15 CNC1CCCCC1F 34a_100102657272_100015423560 [1,1,0,0,0,0|2,0,0]=4 2593 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [1,1,0,0,0,0|2,0,0]=4 2594 B9R1.15 CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200000210301 [1,1,0,0,0,0|2,0,0]=4 2595 B9R1.15 CN[C@@H]1CCCC[C@H]1F 34a_100015195156_200000210301 [1,1,0,0,0,0|2,0,0]=4 2596 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [1,1,0,0,0,0|2,0,0]=4 2597 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [1,1,0,0,0,0|2,0,0]=4 2598 B9R1.15 COC1CCCCC1Cl 34a_100000038908_200000210301 [1,1,0,0,0,0|2,0,0]=4 2599 B9R1.15 COC1CCCCC1Cl 7a_100000038908_200000210301 [1,1,0,0,0,0|2,0,0]=4 2600 B9R1.15 COC1CCCCC1F 34a_100138415774_100015423560 [1,1,0,0,0,0|2,0,0]=4 2601 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [1,1,0,0,0,0|2,0,0]=4 2602 B9R1.15 CO[C@@H]1CCCC[C@H]1F 34a_100009816020_200000210301 [1,1,0,0,0,0|2,0,0]=4 2603 B9R1.15 CO[C@@H]1CCCC[C@H]1F 7a_100009816020_200000210301 [1,1,0,0,0,0|2,0,0]=4 2604 B9R1.15 CO[C@H]1CCCC[C@H]1N 34a_100015191688_200000210301 [1,1,0,0,0,0|2,0,0]=4 2605 B9R1.15 CSC1CCCCC1F 62a_100015423560_200000210301 [1,1,0,0,0,0|2,0,0]=4 2606 B9R1.15 CSC1CCCCC1F 62a_200000210301_100015423560 [1,1,0,0,0,0|2,0,0]=4 2607 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [1,1,0,0,0,0|2,0,0]=4 2608 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [1,1,0,0,0,0|2,0,0]=4 2609 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [1,1,0,0,0,0|1,0,1]=4 2610 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [1,1,0,0,0,0|1,0,1]=4 2611 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [1,1,0,0,0,0|1,0,1]=4 2612 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 2230a_100015195156_200025704644 [1,1,0,0,0,0|2,0,0]=4 2613 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 34a_100015195156_200025704644 [1,1,0,0,0,0|2,0,0]=4 2614 B9R1.15 [13CH3]OC1CCCCC1Cl 34a_100000038908_200025704644 [1,1,0,0,0,0|2,0,0]=4 2615 B9R1.15 [13CH3]OC1CCCCC1Cl 7a_100000038908_200025704644 [1,1,0,0,0,0|2,0,0]=4 2616 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 34a_100009816020_200025704644 [1,1,0,0,0,0|2,0,0]=4 2617 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 7a_100009816020_200025704644 [1,1,0,0,0,0|2,0,0]=4 2618 B9R1.15 [13CH3]O[C@H]1CCCC[C@H]1N 34a_100015191688_200025704644 [1,1,0,0,0,0|2,0,0]=4 2619 B9R1.15 [13CH3]SC1CCCCC1F 62a_100015423560_200025704644 [1,1,0,0,0,0|2,0,0]=4 2620 B9R1.15 [13CH3]SC1CCCCC1F 62a_200025704644_100015423560 [1,1,0,0,0,0|2,0,0]=4 2621 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [1,1,0,0,0,0|2,0,0]=4 2622 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [1,1,0,0,0,0|2,0,0]=4 2623 B9R1.118 CC1(CCCCC1)N[13CH3] 2230a_100000741114_200025704644 [1,1,0,0,0,0|2,0,0]=4 2624 B9R1.118 CC1(CCCCC1)N[13CH3] 34a_100000741114_200025704644 [1,1,0,0,0,0|2,0,0]=4 2625 B9R1.118 CC1(CCCCC1)O[13CH3] 34a_100011215885_200025704644 [1,1,0,0,0,0|2,0,0]=4 2626 B9R1.118 CC1(CCCCC1)O[13CH3] 7a_100011215885_200025704644 [1,1,0,0,0,0|2,0,0]=4 2627 B9R1.118 CNC1(CCCCC1)C 2230a_100000741114_200000210301 [1,1,0,0,0,0|2,0,0]=4 2628 B9R1.118 CNC1(CCCCC1)C 34a_100000741114_200000210301 [1,1,0,0,0,0|2,0,0]=4 2629 B9R1.118 COC1(CCCCC1)C 34a_100011215885_200000210301 [1,1,0,0,0,0|2,0,0]=4 2630 B9R1.118 COC1(CCCCC1)C 7a_100011215885_200000210301 [1,1,0,0,0,0|2,0,0]=4 2631 B9R1.11 C#CC(=O)C1CCCC1 1458a_100000211873_100000179811 [0,1,0,0,1,0|1,0,0]=3 2632 B9R1.11 C#CC(=O)C1CCOC1 1458a_100000211873_100000690089 [0,1,0,0,1,0|2,0,0]=4 2633 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [0,1,0,0,1,0|1,0,0]=3 2634 B9R1.11 C=CC(=O)C1CCOC1 1458a_100000185746_100000690089 [0,1,0,0,1,0|2,0,0]=4 2635 B9R1.11 C=CC(=O)N1CCCC1 240690a_100000188435_200121576911 [0,1,0,0,1,0|2,0,0]=4 2636 B9R1.11 CC(O[13CH3])C1CCCC1 34a_100011216366_200025704644 [0,1,0,0,1,0|1,0,1]=4 2637 B9R1.11 CC(O[13CH3])C1CCCC1 7a_100011216366_200025704644 [0,1,0,0,1,0|1,0,1]=4 2638 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [0,1,0,0,1,0|1,0,0]=3 2639 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [0,1,0,0,1,0|1,0,0]=3 2640 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [0,1,0,0,1,0|2,0,0]=4 2641 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [0,1,0,0,1,0|2,0,0]=4 2642 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [0,1,0,0,1,0|2,0,0]=4 2643 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,1,0,0,1,0|2,0,0]=4 2644 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,1,0,0,1,0|2,0,0]=4 2645 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [0,1,0,0,1,0|2,0,0]=4 2646 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [0,1,0,0,1,0|1,0,0]=3 2647 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [0,1,0,0,1,0|1,0,0]=3 2648 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [0,1,0,0,1,0|1,0,0]=3 2649 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [0,1,0,0,1,0|1,0,0]=3 2650 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [0,1,0,0,1,0|2,0,0]=4 2651 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [0,1,0,0,1,0|2,0,0]=4 2652 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [0,1,0,0,1,0|2,0,0]=4 2653 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [0,1,0,0,1,0|2,0,0]=4 2654 B9R1.11 CNC(=O)C1CCOC1 11a_106832991635_100011219752 [0,1,0,0,1,0|2,0,0]=4 2655 B9R1.11 CNC(=O)C1CCOC1 1626a_100102657272_100011219752 [0,1,0,0,1,0|2,0,0]=4 2656 B9R1.11 CNC(=O)C1CCOC1 240690a_100102657272_100011219752 [0,1,0,0,1,0|2,0,0]=4 2657 B9R1.11 CNC(=O)C1CCOC1 527a_100102657272_100011219752 [0,1,0,0,1,0|2,0,0]=4 2658 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [0,1,0,0,1,0|2,0,0]=4 2659 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [0,1,0,0,1,0|2,0,0]=4 2660 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [0,1,0,0,1,0|2,0,0]=4 2661 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [0,1,0,0,1,0|2,0,0]=4 2662 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [0,1,0,0,1,0|2,0,0]=4 2663 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [0,1,0,0,1,0|2,0,0]=4 2664 B9R1.11 COC(C)C1CCCC1 34a_100011216366_200000210301 [0,1,0,0,1,0|1,0,1]=4 2665 B9R1.11 COC(C)C1CCCC1 7a_100011216366_200000210301 [0,1,0,0,1,0|1,0,1]=4 2666 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [0,1,0,0,1,0|1,0,0]=3 2667 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [0,1,0,0,1,0|2,0,0]=4 2668 B9R1.11 O=C(CF)C1CCOC1 1458a_100011219752_100015361967 [0,1,0,0,1,0|2,0,0]=4 2669 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [0,1,0,0,1,0|2,0,0]=4 2670 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,1,0,0,1,0|0,0,0]=2 2671 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [0,1,0,0,1,0|1,0,0]=3 2672 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,1,0,0,1,0|1,0,0]=3 2673 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,1,0,0,1,0|1,0,0]=3 2674 B9R1.11 O=C(CO)N1CCSC1 240690a_100011215254_100000210174 [0,1,0,0,1,0|2,0,0]=4 2675 B9R1.11 O=C(CO)N1CCSC1 527a_100011215254_100000210174 [0,1,0,0,1,0|2,0,0]=4 2676 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,1,0,0,1,0|1,0,0]=3 2677 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,1,0,0,1,0|2,0,0]=4 2678 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,1,0,0,1,0|2,0,0]=4 2679 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,1,0,0,1,0|2,0,0]=4 2680 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [0,1,0,0,1,0|2,0,0]=4 2681 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [0,1,0,0,1,0|2,0,0]=4 2682 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [0,1,0,0,1,0|2,0,0]=4 2683 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [0,1,0,0,1,0|2,0,0]=4 2684 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,1,0,0,1,0|2,0,0]=4 2685 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,1,0,0,1,0|2,0,0]=4 2686 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,1,0,0,1,0|2,0,0]=4 2687 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [0,1,0,0,1,0|2,0,0]=4 2688 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [0,1,0,0,1,0|2,0,0]=4 2689 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [0,1,0,0,1,0|2,0,0]=4 2690 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,1,0,0,1,0|2,0,0]=4 2691 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,1,0,0,1,0|1,0,0]=3 2692 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [0,1,0,0,1,0|2,0,0]=4 2693 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [0,1,0,0,1,0|2,0,0]=4 2694 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [0,1,0,0,1,0|2,0,0]=4 2695 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,1,0,0,1,0|1,0,1]=4 2696 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,1,0,0,1,0|1,0,0]=3 2697 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,1,0,0,1,0|2,0,0]=4 2698 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,1,0,0,1,0|2,0,0]=4 2699 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,1,0,0,1,0|2,0,0]=4 2700 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,1,0,0,1,0|2,0,0]=4 2701 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,1,0,0,1,0|2,0,0]=4 2702 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,1,0,0,1,0|2,0,0]=4 2703 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,1,0,0,1,0|1,0,0]=3 2704 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [0,1,0,0,1,0|2,0,0]=4 2705 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,1,0,0,1,0|1,0,0]=3 2706 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,1,0,0,1,0|2,0,0]=4 2707 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,1,0,0,1,0|2,0,0]=4 2708 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [0,1,0,0,1,0|2,0,0]=4 2709 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [0,1,0,0,1,0|2,0,0]=4 2710 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,1,0,0,1,0|1,0,0]=3 2711 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,1,0,0,1,0|2,0,0]=4 2712 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [0,1,0,0,1,0|2,0,0]=4 2713 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,1,0,0,1,0|1,0,0]=3 2714 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [0,1,0,0,1,0|1,0,0]=3 2715 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,1,0,0,1,0|2,0,0]=4 2716 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,1,0,0,1,0|1,0,0]=3 2717 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,1,0,0,1,0|2,0,0]=4 2718 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [0,1,0,0,1,0|1,0,0]=3 2719 B11R1.20 CC(=O)C=C1CCC(CC1)C 1458a_100000756110_200000210301 [0,1,0,0,0,1|1,0,1]=4 2720 B11R1.20 CC(=O)CC1CCC(CC1)C 1458a_100011215564_200000210301 [0,1,0,0,0,1|1,0,0]=3 2721 B11R1.20 CC(=O)CC1CCC(CC1)O 1458a_100012184027_200000210301 [0,1,0,0,0,1|1,0,0]=3 2722 B11R1.20 CC(=O)CC1CCN(CC1)C 1458a_100000700355_200000210301 [0,1,0,0,0,1|2,0,0]=4 2723 B11R1.20 CC(=O)CN1CCC(CC1)C 1458a_100000238061_200000210301 [0,1,0,0,0,1|2,0,0]=4 2724 B11R1.20 CC(=O)NC1CCN(CC1)C 11a_100000198570_100015343762 [0,1,0,0,0,1|2,0,0]=4 2725 B11R1.20 CC(=O)NC1CCN(CC1)C 2230a_100000747453_200000210301 [0,1,0,0,0,1|2,0,0]=4 2726 B11R1.20 CC(=O)NC1CCN(CC1)C 240690a_100000198570_100015343762 [0,1,0,0,0,1|2,0,0]=4 2727 B11R1.20 CC(=O)NC1CCN(CC1)C 269982a_100000747453_200000210301 [0,1,0,0,0,1|2,0,0]=4 2728 B11R1.20 CC(=O)NC1CCN(CC1)C 527a_100000198570_100103153847 [0,1,0,0,0,1|2,0,0]=4 2729 B11R1.20 CC(=O)NC1CCN(CC1)[13CH3] 2230a_100000747453_200025704644 [0,1,0,0,0,1|2,0,0]=4 2730 B11R1.20 CC(=O)NC1CCN(CC1)[13CH3] 269982a_100000747453_200025704644 [0,1,0,0,0,1|2,0,0]=4 2731 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 1626a_100020625639_100015343762 [0,1,0,0,0,1|1,0,0]=3 2732 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 240690a_100020625639_100015343762 [0,1,0,0,0,1|1,0,0]=3 2733 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 527a_100020625639_100103153847 [0,1,0,0,0,1|1,0,0]=3 2734 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O 1626a_100020628982_100015343762 [0,1,0,0,0,1|1,0,0]=3 2735 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O 240690a_100020628982_100015343762 [0,1,0,0,0,1|1,0,0]=3 2736 B11R1.20 CC1CCC(=CC(=O)[13CH3])CC1 1458a_100000756110_200025704644 [0,1,0,0,0,1|1,0,1]=4 2737 B11R1.20 CC1CCC(CC1)CC(=O)[13CH3] 1458a_100011215564_200025704644 [0,1,0,0,0,1|1,0,0]=3 2738 B11R1.20 CC1CCN(CC1)CC(=O)N 2230a_100000188429_100000747473 [0,1,0,0,0,1|2,0,0]=4 2739 B11R1.20 CC1CCN(CC1)CC(=O)N 269982a_100000188429_100000187820 [0,1,0,0,0,1|2,0,0]=4 2740 B11R1.20 CC1CCN(CC1)CC(=O)N 34a_100000188429_100000187820 [0,1,0,0,0,1|2,0,0]=4 2741 B11R1.20 CC1CCN(CC1)CC(=O)[13CH3] 1458a_100000238061_200025704644 [0,1,0,0,0,1|2,0,0]=4 2742 B11R1.20 CC1CCN(CC1)CC(=O)[O-] 269982a_100000188429_100020667443 [0,1,0,0,0,1|1,0,1]=4 2743 B11R1.20 CC1CCN(CC1)CC(=O)[O-] 34a_100000188429_100020667443 [0,1,0,0,0,1|1,0,1]=4 2744 B11R1.20 CN1CCC(CC1)CC(=O)N 2230a_100011221598_200000210301 [0,1,0,0,0,1|2,0,0]=4 2745 B11R1.20 CN1CCC(CC1)CC(=O)N 34a_100011221598_200000210301 [0,1,0,0,0,1|2,0,0]=4 2746 B11R1.20 CN1CCC(CC1)CC(=O)[13CH3] 1458a_100000700355_200025704644 [0,1,0,0,0,1|2,0,0]=4 2747 B11R1.20 CN1CCC(CC1)NC(=O)N 2230a_100000751166_200000210301 [0,1,0,0,0,1|2,0,0]=4 2748 B11R1.20 NC(=O)CN1CCC(CC1)F 2230a_100015193889_100000747473 [0,1,0,0,0,1|2,0,0]=4 2749 B11R1.20 NC(=O)CN1CCC(CC1)F 269982a_100015193889_100000187820 [0,1,0,0,0,1|2,0,0]=4 2750 B11R1.20 NC(=O)CN1CCC(CC1)F 34a_100015193889_100000187820 [0,1,0,0,0,1|2,0,0]=4 2751 B11R1.20 NC(=O)CN1CCC(CC1)O 2230a_100025773856_100000747473 [0,1,0,0,0,1|2,0,0]=4 2752 B11R1.20 NC(=O)CN1CCC(CC1)O 269982a_100025773856_100000187820 [0,1,0,0,0,1|2,0,0]=4 2753 B11R1.20 O=C([O-])CN1CCC(CC1)F 269982a_100015193889_100020667443 [0,1,0,0,0,1|1,0,1]=4 2754 B11R1.20 O=C([O-])CN1CCC(CC1)F 34a_100015193889_100020667443 [0,1,0,0,0,1|1,0,1]=4 2755 B11R1.20 O=C([O-])CN1CCC(CC1)O 269982a_100025773856_100020667443 [0,1,0,0,0,1|1,0,1]=4 2756 B11R1.20 [13CH3]C(=O)CC1CCC(CC1)O 1458a_100012184027_200025704644 [0,1,0,0,0,1|1,0,0]=3 2757 B11R1.20 [13CH3]N1CCC(CC1)CC(=O)N 2230a_100011221598_200025704644 [0,1,0,0,0,1|2,0,0]=4 2758 B11R1.20 [13CH3]N1CCC(CC1)CC(=O)N 34a_100011221598_200025704644 [0,1,0,0,0,1|2,0,0]=4 2759 B11R1.20 [13CH3]N1CCC(CC1)NC(=O)N 2230a_100000751166_200025704644 [0,1,0,0,0,1|2,0,0]=4 2760 B11R1.36 C=C(C)C(=O)C1CCCCC1 1458a_100000185857_100000210327 [0,1,0,0,0,1|2,0,0]=4 2761 B11R1.36 CC(=O)C(=O)N1CCCCC1 1458a_200011297168_200000210301 [0,1,0,0,0,1|2,0,0]=4 2762 B11R1.36 CC(=O)C(C)C1CCCCC1 1458a_100011435303_200000210301 [0,1,0,0,0,1|1,0,0]=3 2763 B11R1.36 CC(=O)C(O)C1CCCCC1 1458a_100000242593_200000210301 [0,1,0,0,0,1|1,0,0]=3 2764 B11R1.36 CC(=O)N(C)C1CCCCC1 11a_100000207522_100015343762 [0,1,0,0,0,1|1,0,0]=3 2765 B11R1.36 CC(=O)N(C)C1CCCCC1 1626a_100000207522_100015343762 [0,1,0,0,0,1|1,0,0]=3 2766 B11R1.36 CC(=O)N(C)C1CCCCC1 240690a_100000207522_100015343762 [0,1,0,0,0,1|1,0,0]=3 2767 B11R1.36 CC(=O)N(C)C1CCCCC1 527a_100000207522_100103153847 [0,1,0,0,0,1|1,0,0]=3 2768 B11R1.36 CC(=O)N(C)C1CCOCC1 11a_100020587155_100015343762 [0,1,0,0,0,1|2,0,0]=4 2769 B11R1.36 CC(=O)N(C)C1CCOCC1 1626a_100020587155_100015343762 [0,1,0,0,0,1|2,0,0]=4 2770 B11R1.36 CC(=O)N(C)C1CCOCC1 240690a_100020587155_100015343762 [0,1,0,0,0,1|2,0,0]=4 2771 B11R1.36 CC(=O)N(C)C1CCOCC1 527a_100020587155_100103153847 [0,1,0,0,0,1|2,0,0]=4 2772 B11R1.36 CC(=O)N(C)C1CCSCC1 11a_100015184757_100015343762 [0,1,0,0,0,1|2,0,0]=4 2773 B11R1.36 CC(=O)N(C)C1CCSCC1 240690a_100015184757_100015343762 [0,1,0,0,0,1|2,0,0]=4 2774 B11R1.36 CC(=O)N(C)C1CCSCC1 527a_100015184757_100103153847 [0,1,0,0,0,1|2,0,0]=4 2775 B11R1.36 CC(C(=O)[13CH3])C1CCCCC1 1458a_100011435303_200025704644 [0,1,0,0,0,1|1,0,0]=3 2776 B11R1.36 C[C@@H](O)C(=O)C1CCCCC1 1458a_100000717761_100000210327 [0,1,0,0,0,1|1,0,1]=4 2777 B11R1.36 C[C@H](O)C(=O)C1CCCCC1 1458a_217856618621_100000210327 [0,1,0,0,0,1|1,0,1]=4 2778 B11R1.36 O=C(C(O)O)C1CCCCC1 1458a_100000233687_100000210327 [0,1,0,0,0,1|0,0,2]=4 2779 B11R1.36 [13CH3]C(=O)C(=O)N1CCCCC1 1458a_200011297168_200025704644 [0,1,0,0,0,1|2,0,0]=4 2780 B11R1.36 [13CH3]C(=O)C(O)C1CCCCC1 1458a_100000242593_200025704644 [0,1,0,0,0,1|1,0,0]=3 2781 B11R1.40 C#CC(=O)CC1CCCCC1 1458a_100000211873_100000211423 [0,1,0,0,0,1|1,0,0]=3 2782 B11R1.40 C#CC(=O)CC1CCCCO1 1458a_100000211873_100000211543 [0,1,0,0,0,1|2,0,0]=4 2783 B11R1.40 C#CC(=O)CC1CCCOC1 1458a_100000211873_100000741521 [0,1,0,0,0,1|2,0,0]=4 2784 B11R1.40 C#CC(=O)CC1CCOCC1 1458a_100000211873_100000754603 [0,1,0,0,0,1|2,0,0]=4 2785 B11R1.40 C=CC(=O)CC1CCCCC1 1458a_100000185746_100000211423 [0,1,0,0,0,1|1,0,0]=3 2786 B11R1.40 C=CC(=O)CC1CCCCO1 1458a_100000185746_100000211543 [0,1,0,0,0,1|2,0,0]=4 2787 B11R1.40 C=CC(=O)CC1CCCOC1 1458a_100000185746_100000741521 [0,1,0,0,0,1|2,0,0]=4 2788 B11R1.40 C=CC(=O)CC1CCOCC1 1458a_100000185746_100000754603 [0,1,0,0,0,1|2,0,0]=4 2789 B11R1.40 C=CC(=O)NC1CCCCC1 1626a_100000182618_100000185746 [0,1,0,0,0,1|1,0,0]=3 2790 B11R1.40 C=CC(=O)NC1CCCCC1 240690a_100000182618_200121576911 [0,1,0,0,0,1|1,0,0]=3 2791 B11R1.40 C=CC(=O)NC1CCCOC1 1626a_100000719290_100000185746 [0,1,0,0,0,1|2,0,0]=4 2792 B11R1.40 C=CC(=O)NC1CCCOC1 240690a_100000719290_200121576911 [0,1,0,0,0,1|2,0,0]=4 2793 B11R1.40 C=CC(=O)NC1CCOCC1 1626a_100000741149_100000185746 [0,1,0,0,0,1|2,0,0]=4 2794 B11R1.40 C=CC(=O)NC1CCOCC1 240690a_100000741149_200121576911 [0,1,0,0,0,1|2,0,0]=4 2795 B11R1.40 C=CC(=O)NC1CCSCC1 1626a_100000748639_100000185746 [0,1,0,0,0,1|2,0,0]=4 2796 B11R1.40 C=CC(=O)NC1CCSCC1 240690a_100000748639_200121576911 [0,1,0,0,0,1|2,0,0]=4 2797 B11R1.40 CC(CO)NC1CCCCC1 2230a_100000182618_100012180447 [0,1,0,0,0,1|1,0,1]=4 2798 B11R1.40 CC(CO)NC1CCCCC1 34a_100000182618_100012180447 [0,1,0,0,0,1|1,0,1]=4 2799 B11R1.40 CC(CO)OC1CCCCC1 34a_100000210231_100012180447 [0,1,0,0,0,1|1,0,1]=4 2800 B11R1.40 CC(CO)OC1CCCCC1 7a_100000210231_100012180447 [0,1,0,0,0,1|1,0,1]=4 2801 B11R1.40 CC(CO)SC1CCCCC1 62a_100012180447_100000210327 [0,1,0,0,0,1|1,0,1]=4 2802 B11R1.40 CCC(=O)C=C1CCCCC1 1458a_100000743792_100000210202 [0,1,0,0,0,1|1,0,1]=4 2803 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000210414_100000211423 [0,1,0,0,0,1|1,0,0]=3 2804 B11R1.40 CCC(=O)CC1CCCCC1 1458a_100000211666_100000210202 [0,1,0,0,0,1|1,0,0]=3 2805 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000210414_100000211543 [0,1,0,0,0,1|2,0,0]=4 2806 B11R1.40 CCC(=O)CC1CCCCO1 1458a_100000238585_100000210202 [0,1,0,0,0,1|2,0,0]=4 2807 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000210414_100000741521 [0,1,0,0,0,1|2,0,0]=4 2808 B11R1.40 CCC(=O)CC1CCCOC1 1458a_100000741523_100000210202 [0,1,0,0,0,1|2,0,0]=4 2809 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000210414_100000754603 [0,1,0,0,0,1|2,0,0]=4 2810 B11R1.40 CCC(=O)CC1CCOCC1 1458a_100000757261_100000210202 [0,1,0,0,0,1|2,0,0]=4 2811 B11R1.40 CCC(=O)CN1CCCCC1 1458a_100000740322_100000210202 [0,1,0,0,0,1|2,0,0]=4 2812 B11R1.40 CCC(=O)NC1CCCCC1 11a_100000182618_100000210414 [0,1,0,0,0,1|1,0,0]=3 2813 B11R1.40 CCC(=O)NC1CCCCC1 1626a_100000182618_100000210414 [0,1,0,0,0,1|1,0,0]=3 2814 B11R1.40 CCC(=O)NC1CCCCC1 240690a_100000182618_100000210414 [0,1,0,0,0,1|1,0,0]=3 2815 B11R1.40 CCC(=O)NC1CCCCC1 527a_100000182618_100000210414 [0,1,0,0,0,1|1,0,0]=3 2816 B11R1.40 CCC(=O)NC1CCCOC1 11a_100000719290_100000210414 [0,1,0,0,0,1|2,0,0]=4 2817 B11R1.40 CCC(=O)NC1CCCOC1 1626a_100000719290_100000210414 [0,1,0,0,0,1|2,0,0]=4 2818 B11R1.40 CCC(=O)NC1CCCOC1 240690a_100000719290_100000210414 [0,1,0,0,0,1|2,0,0]=4 2819 B11R1.40 CCC(=O)NC1CCCOC1 527a_100000719290_100000210414 [0,1,0,0,0,1|2,0,0]=4 2820 B11R1.40 CCC(=O)NC1CCOCC1 11a_100000741149_100000210414 [0,1,0,0,0,1|2,0,0]=4 2821 B11R1.40 CCC(=O)NC1CCOCC1 1626a_100000741149_100000210414 [0,1,0,0,0,1|2,0,0]=4 2822 B11R1.40 CCC(=O)NC1CCOCC1 240690a_100000741149_100000210414 [0,1,0,0,0,1|2,0,0]=4 2823 B11R1.40 CCC(=O)NC1CCOCC1 527a_100000741149_100000210414 [0,1,0,0,0,1|2,0,0]=4 2824 B11R1.40 CCC(=O)NC1CCSCC1 11a_100000748639_100000210414 [0,1,0,0,0,1|2,0,0]=4 2825 B11R1.40 CCC(=O)NC1CCSCC1 1626a_100000748639_100000210414 [0,1,0,0,0,1|2,0,0]=4 2826 B11R1.40 CCC(=O)NC1CCSCC1 240690a_100000748639_100000210414 [0,1,0,0,0,1|2,0,0]=4 2827 B11R1.40 CCC(=O)NC1CCSCC1 527a_100000748639_100000210414 [0,1,0,0,0,1|2,0,0]=4 2828 B11R1.40 CNC(=O)C=C1CCCCC1 11a_106832991635_100000743792 [0,1,0,0,0,1|1,0,1]=4 2829 B11R1.40 CNC(=O)C=C1CCCCC1 1626a_100102657272_100000743792 [0,1,0,0,0,1|1,0,1]=4 2830 B11R1.40 CNC(=O)C=C1CCCCC1 240690a_100102657272_100000743792 [0,1,0,0,0,1|1,0,1]=4 2831 B11R1.40 CNC(=O)CC1CCCCC1 11a_106832991635_100000211666 [0,1,0,0,0,1|1,0,0]=3 2832 B11R1.40 CNC(=O)CC1CCCCC1 1626a_100102657272_100000211666 [0,1,0,0,0,1|1,0,0]=3 2833 B11R1.40 CNC(=O)CC1CCCCC1 240690a_100102657272_100000211666 [0,1,0,0,0,1|1,0,0]=3 2834 B11R1.40 CNC(=O)CC1CCCCC1 527a_100102657272_100000211666 [0,1,0,0,0,1|1,0,0]=3 2835 B11R1.40 CNC(=O)CC1CCCCO1 11a_106832991635_100000238585 [0,1,0,0,0,1|2,0,0]=4 2836 B11R1.40 CNC(=O)CC1CCCCO1 1626a_100102657272_100000238585 [0,1,0,0,0,1|2,0,0]=4 2837 B11R1.40 CNC(=O)CC1CCCCO1 240690a_100102657272_100000238585 [0,1,0,0,0,1|2,0,0]=4 2838 B11R1.40 CNC(=O)CC1CCCCO1 527a_100102657272_100000238585 [0,1,0,0,0,1|2,0,0]=4 2839 B11R1.40 CNC(=O)CC1CCCOC1 11a_106832991635_100000741523 [0,1,0,0,0,1|2,0,0]=4 2840 B11R1.40 CNC(=O)CC1CCCOC1 1626a_100102657272_100000741523 [0,1,0,0,0,1|2,0,0]=4 2841 B11R1.40 CNC(=O)CC1CCCOC1 240690a_100102657272_100000741523 [0,1,0,0,0,1|2,0,0]=4 2842 B11R1.40 CNC(=O)CC1CCCOC1 527a_100102657272_100000741523 [0,1,0,0,0,1|2,0,0]=4 2843 B11R1.40 CNC(=O)CC1CCOCC1 11a_106832991635_100000757261 [0,1,0,0,0,1|2,0,0]=4 2844 B11R1.40 CNC(=O)CC1CCOCC1 1626a_100102657272_100000757261 [0,1,0,0,0,1|2,0,0]=4 2845 B11R1.40 CNC(=O)CC1CCOCC1 240690a_100102657272_100000757261 [0,1,0,0,0,1|2,0,0]=4 2846 B11R1.40 CNC(=O)CC1CCOCC1 527a_100102657272_100000757261 [0,1,0,0,0,1|2,0,0]=4 2847 B11R1.40 CNC(=O)CN1CCCCC1 11a_106832991635_100000740322 [0,1,0,0,0,1|2,0,0]=4 2848 B11R1.40 CNC(=O)CN1CCCCC1 240690a_100102657272_100000740322 [0,1,0,0,0,1|2,0,0]=4 2849 B11R1.40 CNC(=O)CN1CCCCC1 527a_100102657272_100000740322 [0,1,0,0,0,1|2,0,0]=4 2850 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100000182618_106832991635 [0,1,0,0,0,1|1,0,0]=3 2851 B11R1.40 CNC(=O)NC1CCCCC1 2708a_100102657272_100000182618 [0,1,0,0,0,1|1,0,0]=3 2852 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100000182618_100102657272 [0,1,0,0,0,1|1,0,0]=3 2853 B11R1.40 CNC(=O)NC1CCCCC1 273464a_100102657272_100000182618 [0,1,0,0,0,1|1,0,0]=3 2854 B11R1.40 CNC(=O)NC1CCCOC1 2708a_100000719290_106832991635 [0,1,0,0,0,1|2,0,0]=4 2855 B11R1.40 CNC(=O)NC1CCCOC1 2708a_100102657272_100000719290 [0,1,0,0,0,1|2,0,0]=4 2856 B11R1.40 CNC(=O)NC1CCCOC1 273464a_100000719290_100102657272 [0,1,0,0,0,1|2,0,0]=4 2857 B11R1.40 CNC(=O)NC1CCCOC1 273464a_100102657272_100000719290 [0,1,0,0,0,1|2,0,0]=4 2858 B11R1.40 CNC(=O)NC1CCCOC1 512a_100000719290_100102657272 [0,1,0,0,0,1|2,0,0]=4 2859 B11R1.40 CNC(=O)NC1CCCOC1 512a_106832991638_100000719290 [0,1,0,0,0,1|2,0,0]=4 2860 B11R1.40 CNC(=O)NC1CCOCC1 2708a_100000741149_106832991635 [0,1,0,0,0,1|2,0,0]=4 2861 B11R1.40 CNC(=O)NC1CCOCC1 2708a_100102657272_100000741149 [0,1,0,0,0,1|2,0,0]=4 2862 B11R1.40 CNC(=O)NC1CCOCC1 273464a_100000741149_100102657272 [0,1,0,0,0,1|2,0,0]=4 2863 B11R1.40 CNC(=O)NC1CCOCC1 273464a_100102657272_100000741149 [0,1,0,0,0,1|2,0,0]=4 2864 B11R1.40 CNC(=O)NC1CCOCC1 512a_100000741149_100102657272 [0,1,0,0,0,1|2,0,0]=4 2865 B11R1.40 CNC(=O)NC1CCOCC1 512a_106832991638_100000741149 [0,1,0,0,0,1|2,0,0]=4 2866 B11R1.40 CNC(=O)NC1CCSCC1 2708a_100000748639_106832991635 [0,1,0,0,0,1|2,0,0]=4 2867 B11R1.40 CNC(=O)NC1CCSCC1 2708a_100102657272_100000748639 [0,1,0,0,0,1|2,0,0]=4 2868 B11R1.40 CNC(=O)NC1CCSCC1 273464a_100000748639_100102657272 [0,1,0,0,0,1|2,0,0]=4 2869 B11R1.40 CNC(=O)NC1CCSCC1 273464a_100102657272_100000748639 [0,1,0,0,0,1|2,0,0]=4 2870 B11R1.40 CNC(=O)NC1CCSCC1 512a_100000748639_100102657272 [0,1,0,0,0,1|2,0,0]=4 2871 B11R1.40 CNC(=O)NC1CCSCC1 512a_106832991638_100000748639 [0,1,0,0,0,1|2,0,0]=4 2872 B11R1.40 COC(=O)CN1CCCOC1 2230a_100000131196_100000747449 [0,1,0,0,0,1|2,0,0]=4 2873 B11R1.40 COC(=O)CN1CCCOC1 269982a_100000131196_100000747449 [0,1,0,0,0,1|2,0,0]=4 2874 B11R1.40 COC(=O)CN1CCCOC1 34a_100000131196_100000747449 [0,1,0,0,0,1|2,0,0]=4 2875 B11R1.40 COC(=O)CN1CCOCC1 2230a_100015191051_100000747449 [0,1,0,0,0,1|2,0,0]=4 2876 B11R1.40 COC(=O)CN1CCOCC1 269982a_100015191051_100000747449 [0,1,0,0,0,1|2,0,0]=4 2877 B11R1.40 COC(=O)CN1CCOCC1 34a_100015191051_100000747449 [0,1,0,0,0,1|2,0,0]=4 2878 B11R1.40 COC(=O)CN1CCSCC1 2230a_100000737611_100000747449 [0,1,0,0,0,1|2,0,0]=4 2879 B11R1.40 COC(=O)CN1CCSCC1 269982a_100000737611_100000747449 [0,1,0,0,0,1|2,0,0]=4 2880 B11R1.40 COC(C)SC1CCCCC1 62a_100000210327_100009879195 [0,1,0,0,0,1|1,0,1]=4 2881 B11R1.40 COC(C)SC1CCCCC1 62a_100009879195_100000210327 [0,1,0,0,0,1|1,0,1]=4 2882 B11R1.40 C[C@H](CO)NC1CCCCC1 270004a_100000737577_100000210434 [0,1,0,0,0,1|1,0,1]=4 2883 B11R1.40 C[C@H](CO)SC1CCCCC1 62a_100000210327_100016084084 [0,1,0,0,0,1|1,0,1]=4 2884 B11R1.40 C[C@H](CO)SC1CCCCC1 62a_100016084084_100000210327 [0,1,0,0,0,1|1,0,1]=4 2885 B11R1.40 O=C(C=C1CCCCC1)CF 1458a_100000743792_100015361967 [0,1,0,0,0,1|1,0,1]=4 2886 B11R1.40 O=C(CF)CC1CCCCC1 1458a_100000211666_100015361967 [0,1,0,0,0,1|1,0,0]=3 2887 B11R1.40 O=C(CF)CC1CCCCO1 1458a_100000238585_100015361967 [0,1,0,0,0,1|2,0,0]=4 2888 B11R1.40 O=C(CF)CC1CCCOC1 1458a_100000741523_100015361967 [0,1,0,0,0,1|2,0,0]=4 2889 B11R1.40 O=C(CF)CC1CCOCC1 1458a_100000757261_100015361967 [0,1,0,0,0,1|2,0,0]=4 2890 B11R1.40 O=C(CF)CN1CCCCC1 1458a_100000740322_100015361967 [0,1,0,0,0,1|2,0,0]=4 2891 B11R1.40 O=C(CO)CC1CCCCC1 1458a_100000210174_100000211423 [0,1,0,0,0,1|0,0,0]=2 2892 B11R1.40 O=C(CO)CC1CCCCO1 1458a_100000210174_100000211543 [0,1,0,0,0,1|1,0,0]=3 2893 B11R1.40 O=C(CO)CC1CCCOC1 1458a_100000210174_100000741521 [0,1,0,0,0,1|1,0,0]=3 2894 B11R1.40 O=C(CO)CC1CCOCC1 1458a_100000210174_100000754603 [0,1,0,0,0,1|1,0,0]=3 2895 B11R1.40 O=C(CO)NC1CCCCC1 240690a_100000182618_100000210174 [0,1,0,0,0,1|0,0,0]=2 2896 B11R1.40 O=C(CO)NC1CCCCC1 527a_100000182618_100000210174 [0,1,0,0,0,1|0,0,0]=2 2897 B11R1.40 O=C(CO)NC1CCCOC1 240690a_100000719290_100000210174 [0,1,0,0,0,1|1,0,0]=3 2898 B11R1.40 O=C(CO)NC1CCCOC1 527a_100000719290_100000210174 [0,1,0,0,0,1|1,0,0]=3 2899 B11R1.40 O=C(CO)NC1CCOCC1 240690a_100000741149_100000210174 [0,1,0,0,0,1|1,0,0]=3 2900 B11R1.40 O=C(CO)NC1CCOCC1 527a_100000741149_100000210174 [0,1,0,0,0,1|1,0,0]=3 2901 B11R1.40 O=C(CO)NC1CCSCC1 240690a_100000748639_100000210174 [0,1,0,0,0,1|1,0,0]=3 2902 B11R1.40 O=C(CO)NC1CCSCC1 527a_100000748639_100000210174 [0,1,0,0,0,1|1,0,0]=3 2903 B11R1.86 CC(=O)CC1CCCCN1C 1458a_100000070787_100015185383 [0,1,0,0,0,1|2,0,0]=4 2904 B11R1.86 CC(=O)NC1CCCCC1C 11a_100000211402_100015343762 [0,1,0,0,0,1|1,0,0]=3 2905 B11R1.86 CC(=O)NC1CCCCC1C 1626a_100000211402_100015343762 [0,1,0,0,0,1|1,0,0]=3 2906 B11R1.86 CC(=O)NC1CCCCC1C 240690a_100000211402_100015343762 [0,1,0,0,0,1|1,0,0]=3 2907 B11R1.86 CC(=O)NC1CCCCC1C 527a_100000211402_100103153847 [0,1,0,0,0,1|1,0,0]=3 2908 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 240690a_100015191688_100015343762 [0,1,0,0,0,1|1,0,0]=3 2909 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1O 527a_100015191688_100103153847 [0,1,0,0,0,1|1,0,0]=3 2910 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 11a_100015195156_100015343762 [0,1,0,0,0,1|1,0,0]=3 2911 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 1626a_100015195156_100015343762 [0,1,0,0,0,1|1,0,0]=3 2912 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 240690a_100015195156_100015343762 [0,1,0,0,0,1|1,0,0]=3 2913 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F 527a_100015195156_100103153847 [0,1,0,0,0,1|1,0,0]=3 2914 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 11a_100016994285_100015343762 [0,1,0,0,0,1|2,0,0]=4 2915 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 240690a_100016994285_100015343762 [0,1,0,0,0,1|2,0,0]=4 2916 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 527a_100016994285_100103153847 [0,1,0,0,0,1|2,0,0]=4 2917 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 11a_100016994078_100015343762 [0,1,0,0,0,1|2,0,0]=4 2918 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 1626a_100016994078_100015343762 [0,1,0,0,0,1|2,0,0]=4 2919 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 240690a_100016994078_100015343762 [0,1,0,0,0,1|2,0,0]=4 2920 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F 527a_100016994078_100103153847 [0,1,0,0,0,1|2,0,0]=4 2921 B11R1.86 CC(=O)N[C@H]1COCC[C@@H]1O 11a_100015739063_100015343762 [0,1,0,0,0,1|2,0,0]=4 2922 B11R1.86 CC(=O)N[C@H]1COCC[C@@H]1O 240690a_100015739063_100015343762 [0,1,0,0,0,1|2,0,0]=4 2923 B11R1.86 CC1CCCCN1CC(=O)N 2230a_100000211376_100000747473 [0,1,0,0,0,1|2,0,0]=4 2924 B11R1.86 CC1CCCCN1CC(=O)N 269982a_100000211376_100000187820 [0,1,0,0,0,1|2,0,0]=4 2925 B11R1.86 CC1CCCCN1CC(=O)N 34a_100000211376_100000187820 [0,1,0,0,0,1|2,0,0]=4 2926 B11R1.86 CC1CCCCN1CC(=O)[O-] 269982a_100000211376_100020667443 [0,1,0,0,0,1|1,0,1]=4 2927 B11R1.86 CC1CCCCN1CC(=O)[O-] 34a_100000211376_100020667443 [0,1,0,0,0,1|1,0,1]=4 2928 B11R1.86 CN1CCCCC1CC(=O)N 2230a_100015184752_200000210301 [0,1,0,0,0,1|2,0,0]=4 2929 B11R1.86 CN1CCCCC1CC(=O)N 269982a_100015184752_200000210301 [0,1,0,0,0,1|2,0,0]=4 2930 B11R1.86 CN1CCCCC1CC(=O)N 34a_100015184752_200000210301 [0,1,0,0,0,1|2,0,0]=4 2931 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 2230a_100015184752_200025704644 [0,1,0,0,0,1|2,0,0]=4 2932 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 269982a_100015184752_200025704644 [0,1,0,0,0,1|2,0,0]=4 2933 B11R1.86 [13CH3]N1CCCCC1CC(=O)N 34a_100015184752_200025704644 [0,1,0,0,0,1|2,0,0]=4 2934 B11R1.157 CC(=O)CC1CCCC(C1)C 1458a_100000748788_200000210301 [0,1,0,0,0,1|1,0,0]=3 2935 B11R1.157 CC(=O)CC1CCCN(C1)C 1458a_100000070787_100015183302 [0,1,0,0,0,1|2,0,0]=4 2936 B11R1.157 CC(=O)NC1CCCC(C1)C 11a_100011194320_100015343762 [0,1,0,0,0,1|1,0,0]=3 2937 B11R1.157 CC(=O)NC1CCCC(C1)C 1626a_100011194320_100015343762 [0,1,0,0,0,1|1,0,0]=3 2938 B11R1.157 CC(=O)NC1CCCC(C1)C 240690a_100011194320_100015343762 [0,1,0,0,0,1|1,0,0]=3 2939 B11R1.157 CC(=O)NC1CCCC(C1)C 527a_100011194320_100103153847 [0,1,0,0,0,1|1,0,0]=3 2940 B11R1.157 CC(=O)NC1CCCC(C1)O 1626a_100015190357_100015343762 [0,1,0,0,0,1|1,0,0]=3 2941 B11R1.157 CC(=O)NC1CCCC(C1)O 240690a_100015190357_100015343762 [0,1,0,0,0,1|1,0,0]=3 2942 B11R1.157 CC(=O)NC1CCCN(C1)C 2230a_106657272119_200000210301 [0,1,0,0,0,1|2,0,0]=4 2943 B11R1.157 CC(=O)NC1CCCN(C1)C 269982a_106657272119_200000210301 [0,1,0,0,0,1|2,0,0]=4 2944 B11R1.157 CC(=O)NC1CCCN(C1)[13CH3] 2230a_106657272119_200025704644 [0,1,0,0,0,1|2,0,0]=4 2945 B11R1.157 CC(=O)NC1CCCN(C1)[13CH3] 269982a_106657272119_200025704644 [0,1,0,0,0,1|2,0,0]=4 2946 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C 240690a_100016992120_100015343762 [0,1,0,0,0,1|2,0,0]=4 2947 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C 527a_100016992120_100103153847 [0,1,0,0,0,1|2,0,0]=4 2948 B11R1.157 CC1CCCC(C1)CC(=O)[13CH3] 1458a_100000748788_200025704644 [0,1,0,0,0,1|1,0,0]=3 2949 B11R1.157 CN1CCCC(C1)CC(=O)O 269956a_100015207179_200000210301 [0,1,0,0,0,1|1,0,0]=3 2950 B11R1.157 CN1CCOC(C1)CC(=O)O 269956a_100015183369_200000210301 [0,1,0,0,0,1|2,0,0]=4 2951 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 2230a_100000717927_100000747473 [0,1,0,0,0,1|2,0,0]=4 2952 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 269982a_100000717927_100000187820 [0,1,0,0,0,1|2,0,0]=4 2953 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 34a_100000717927_100000187820 [0,1,0,0,0,1|2,0,0]=4 2954 B11R1.157 C[C@H]1CCCN(C1)CC(=O)[O-] 269982a_100000717927_100020667443 [0,1,0,0,0,1|1,0,1]=4 2955 B11R1.157 C[C@H]1CCCN(C1)CC(=O)[O-] 34a_100000717927_100020667443 [0,1,0,0,0,1|1,0,1]=4 2956 B11R1.157 NC(=O)CN1CCCC(C1)F 2230a_100000697950_100000747473 [0,1,0,0,0,1|2,0,0]=4 2957 B11R1.157 NC(=O)CN1CCCC(C1)F 269982a_100000697950_100000187820 [0,1,0,0,0,1|2,0,0]=4 2958 B11R1.157 NC(=O)CN1CCCC(C1)F 34a_100000697950_100000187820 [0,1,0,0,0,1|2,0,0]=4 2959 B11R1.157 NC(=O)CN1CCCC(C1)O 2230a_100000211013_100000747473 [0,1,0,0,0,1|2,0,0]=4 2960 B11R1.157 NC(=O)CN1CCCC(C1)O 269982a_100000211013_100000187820 [0,1,0,0,0,1|2,0,0]=4 2961 B11R1.157 O=C([O-])CN1CCCC(C1)F 269982a_100000697950_100020667443 [0,1,0,0,0,1|1,0,1]=4 2962 B11R1.157 O=C([O-])CN1CCCC(C1)F 34a_100000697950_100020667443 [0,1,0,0,0,1|1,0,1]=4 2963 B11R1.157 O=C([O-])CN1CCCC(C1)O 269982a_100000211013_100020667443 [0,1,0,0,0,1|1,0,1]=4 2964 B11R1.157 [13CH3]N1CCCC(C1)CC(=O)O 269956a_100015207179_200025704644 [0,1,0,0,0,1|1,0,0]=3 2965 B11R1.157 [13CH3]N1CCOC(C1)CC(=O)O 269956a_100015183369_200025704644 [0,1,0,0,0,1|2,0,0]=4 2966 B11R1.509 CS(=O)(=O)NC1CCCCC1 40a_100000182618_100000738038 [0,1,0,0,0,1|1,0,1]=4 2967 B11R1.928 CC(=O)CC1(CCCCC1)O 1458a_100000755886_200000210301 [0,1,0,0,0,1|1,0,0]=3 2968 B11R1.928 CC(=O)NC1(CCCCC1)C 11a_100000741114_100015343762 [0,1,0,0,0,1|1,0,0]=3 2969 B11R1.928 CC(=O)NC1(CCCCC1)C 1626a_100000741114_100015343762 [0,1,0,0,0,1|1,0,0]=3 2970 B11R1.928 CC(=O)NC1(CCCCC1)C 240690a_100000741114_100015343762 [0,1,0,0,0,1|1,0,0]=3 2971 B11R1.928 CC(=O)NC1(CCCCC1)C 527a_100000741114_100103153847 [0,1,0,0,0,1|1,0,0]=3 2972 B11R1.928 CC(=O)NC1(CCOCC1)C 11a_100000692449_100015343762 [0,1,0,0,0,1|2,0,0]=4 2973 B11R1.928 CC(=O)NC1(CCOCC1)C 1626a_100000692449_100015343762 [0,1,0,0,0,1|2,0,0]=4 2974 B11R1.928 CC(=O)NC1(CCOCC1)C 240690a_100000692449_100015343762 [0,1,0,0,0,1|2,0,0]=4 2975 B11R1.928 CC(=O)NC1(CCOCC1)C 527a_100000692449_100103153847 [0,1,0,0,0,1|2,0,0]=4 2976 B11R1.928 [13CH3]C(=O)CC1(CCCCC1)O 1458a_100000755886_200025704644 [0,1,0,0,0,1|1,0,0]=3 2977 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [0,1,0,0,0,1|1,0,0]=3 2978 B11R1.143 CC(=O)C1CCCCCN1C 1458a_100015187800_200000210301 [0,1,0,0,0,1|1,0,0]=3 2979 B11R1.143 CC(=O)C1CCCCNC1=O 1458a_100000070787_100000735217 [0,1,0,0,0,1|1,0,1]=4 2980 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [0,1,0,0,0,1|0,0,0]=2 2981 B11R1.143 CN1CCCCCC1C(=O)[13CH3] 1458a_100015187800_200025704644 [0,1,0,0,0,1|1,0,0]=3 2982 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [0,1,0,0,0,1|0,0,0]=2 2983 B11R1.497 CC(=O)N1CCCCC(C1)O 240690a_100025706797_100015343762 [0,1,0,0,0,1|2,0,0]=4 2984 B11R1.497 CC(=O)N1CCOC[C@@H](C1)O 11a_100016073750_100015343762 [0,1,0,0,0,1|2,0,0]=4 2985 B11R1.497 CC(=O)N1CCOC[C@@H](C1)O 240690a_100016073750_100015343762 [0,1,0,0,0,1|2,0,0]=4 2986 B11R1.565 CC(=O)N1CCCC(CC1)C 11a_100025706717_100015343762 [0,1,0,0,0,1|2,0,0]=4 2987 B11R1.565 CC(=O)N1CCCC(CC1)C 1626a_100025706717_100015343762 [0,1,0,0,0,1|2,0,0]=4 2988 B11R1.565 CC(=O)N1CCCC(CC1)C 240690a_100025706717_100015343762 [0,1,0,0,0,1|2,0,0]=4 2989 B11R1.565 CC(=O)N1CCCC(CC1)C 527a_100025706717_100103153847 [0,1,0,0,0,1|2,0,0]=4 2990 B11R1.565 CC(=O)N1CCCC(CC1)O 240690a_100015186869_100015343762 [0,1,0,0,0,1|2,0,0]=4 2991 B11R1.565 CC(=O)N1CCCC(CC1)O 527a_100015186869_100103153847 [0,1,0,0,0,1|2,0,0]=4 2992 B11R1.565 CC(=O)N1CCCN(CC1)C 2230a_100000233754_200000210301 [0,1,0,0,0,1|2,0,0]=4 2993 B11R1.565 CC(=O)N1CCCN(CC1)C 240690a_100000211313_100015343762 [0,1,0,0,0,1|2,0,0]=4 2994 B11R1.565 CC(=O)N1CCCN(CC1)C 269982a_100000233754_200000210301 [0,1,0,0,0,1|2,0,0]=4 2995 B11R1.565 CC(=O)N1CCCN(CC1)[13CH3] 2230a_100000233754_200025704644 [0,1,0,0,0,1|2,0,0]=4 2996 B11R1.565 CC(=O)N1CCCN(CC1)[13CH3] 269982a_100000233754_200025704644 [0,1,0,0,0,1|2,0,0]=4 2997 B11R1.565 CN1CCCC(CC1)C(=O)O 269956a_100000134118_200000210301 [0,1,0,0,0,1|0,0,0]=2 2998 B11R1.565 [13CH3]N1CCCC(CC1)C(=O)O 269956a_100000134118_200025704644 [0,1,0,0,0,1|0,0,0]=2 2999 B11R1.852 C#CC(=O)C1CCCCCC1 1458a_100000211873_100011217769 [0,1,0,0,0,1|1,0,0]=3 3000 B11R1.852 C=CC(=O)C1CCCCCC1 1458a_100000185746_100011217769 [0,1,0,0,0,1|1,0,0]=3 3001 B11R1.852 C=CC(=O)N1CCCCCC1 1626a_100000185865_100000185746 [0,1,0,0,0,1|2,0,0]=4 3002 B11R1.852 C=CC(=O)N1CCCCCC1 240690a_100000185865_200121576911 [0,1,0,0,0,1|2,0,0]=4 3003 B11R1.852 C=CC(=O)N1CCCOCC1 1626a_100000685342_100000185746 [0,1,0,0,0,1|2,0,0]=4 3004 B11R1.852 C=CC(=O)N1CCCOCC1 240690a_100000685342_200121576911 [0,1,0,0,0,1|2,0,0]=4 3005 B11R1.852 CCC(=O)C1CCC=CCC1 1458a_100000048548_100000210202 [0,1,0,0,0,1|1,0,1]=4 3006 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [0,1,0,0,0,1|1,0,0]=3 3007 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [0,1,0,0,0,1|1,0,0]=3 3008 B11R1.852 CCC(=O)N1CCCCCC1 11a_100000185865_100000210414 [0,1,0,0,0,1|2,0,0]=4 3009 B11R1.852 CCC(=O)N1CCCCCC1 1626a_100000185865_100000210414 [0,1,0,0,0,1|2,0,0]=4 3010 B11R1.852 CCC(=O)N1CCCCCC1 240690a_100000185865_100000210414 [0,1,0,0,0,1|2,0,0]=4 3011 B11R1.852 CCC(=O)N1CCCCCC1 527a_100000185865_100000210414 [0,1,0,0,0,1|2,0,0]=4 3012 B11R1.852 CCC(=O)N1CCCOCC1 11a_100000685342_100000210414 [0,1,0,0,0,1|2,0,0]=4 3013 B11R1.852 CCC(=O)N1CCCOCC1 1626a_100000685342_100000210414 [0,1,0,0,0,1|2,0,0]=4 3014 B11R1.852 CCC(=O)N1CCCOCC1 240690a_100000685342_100000210414 [0,1,0,0,0,1|2,0,0]=4 3015 B11R1.852 CCC(=O)N1CCCOCC1 527a_100000685342_100000210414 [0,1,0,0,0,1|2,0,0]=4 3016 B11R1.852 CNC(=O)C1CCC=CCC1 11a_106832991635_100000048548 [0,1,0,0,0,1|1,0,1]=4 3017 B11R1.852 CNC(=O)C1CCC=CCC1 1626a_100102657272_100000048548 [0,1,0,0,0,1|1,0,1]=4 3018 B11R1.852 CNC(=O)C1CCC=CCC1 240690a_100102657272_100000048548 [0,1,0,0,0,1|1,0,1]=4 3019 B11R1.852 CNC(=O)C1CCC=CCC1 527a_100102657272_100000048548 [0,1,0,0,0,1|1,0,1]=4 3020 B11R1.852 CNC(=O)C1CCCCCC1 11a_106832991635_100000749507 [0,1,0,0,0,1|1,0,0]=3 3021 B11R1.852 CNC(=O)C1CCCCCC1 1626a_100102657272_100000749507 [0,1,0,0,0,1|1,0,0]=3 3022 B11R1.852 CNC(=O)C1CCCCCC1 240690a_100102657272_100000749507 [0,1,0,0,0,1|1,0,0]=3 3023 B11R1.852 CNC(=O)C1CCCCCC1 527a_100102657272_100000749507 [0,1,0,0,0,1|1,0,0]=3 3024 B11R1.852 CNC(=O)N1CCCCCC1 2708a_100102657272_100000185865 [0,1,0,0,0,1|2,0,0]=4 3025 B11R1.852 CNC(=O)N1CCCCCC1 273464a_100102657272_100000185865 [0,1,0,0,0,1|2,0,0]=4 3026 B11R1.852 CNC(=O)N1CCCOCC1 2708a_100102657272_100000685342 [0,1,0,0,0,1|2,0,0]=4 3027 B11R1.852 CNC(=O)N1CCCOCC1 273464a_100102657272_100000685342 [0,1,0,0,0,1|2,0,0]=4 3028 B11R1.852 O=C(CF)C1CCC=CCC1 1458a_100000048548_100015361967 [0,1,0,0,0,1|1,0,1]=4 3029 B11R1.852 O=C(CF)C1CCCCCC1 1458a_100000749507_100015361967 [0,1,0,0,0,1|1,0,0]=3 3030 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [0,1,0,0,0,1|0,0,0]=2 3031 B11R1.852 O=C(CO)N1CCCCCC1 240690a_100000185865_100000210174 [0,1,0,0,0,1|1,0,0]=3 3032 B11R1.852 O=C(CO)N1CCCCCC1 527a_100000185865_100000210174 [0,1,0,0,0,1|1,0,0]=3 3033 B11R1.852 O=C(CO)N1CCCOCC1 240690a_100000685342_100000210174 [0,1,0,0,0,1|1,0,0]=3 3034 B11R1.852 O=C(CO)N1CCCOCC1 527a_100000685342_100000210174 [0,1,0,0,0,1|1,0,0]=3 3035 B11R1.3 C#CC1CCN(CC1)C(=O)C 11a_100016991398_100015343762 [0,2,0,0,0,0|2,0,0]=4 3036 B11R1.3 C#CC1CCN(CC1)C(=O)C 1626a_100016991398_100015343762 [0,2,0,0,0,0|2,0,0]=4 3037 B11R1.3 C#CC1CCN(CC1)C(=O)C 240690a_100016991398_100015343762 [0,2,0,0,0,0|2,0,0]=4 3038 B11R1.3 C#CC1CCN(CC1)C(=O)C 527a_100016991398_100103153847 [0,2,0,0,0,0|2,0,0]=4 3039 B11R1.3 CC(=O)C1CCC(CC1)CO 1458a_100011217856_200000210301 [0,2,0,0,0,0|1,0,0]=3 3040 B11R1.3 CC(=O)N1CCC(CC1)C#N 11a_100000747632_100015343762 [0,2,0,0,0,0|2,0,0]=4 3041 B11R1.3 CC(=O)N1CCC(CC1)C#N 1626a_100000747632_100015343762 [0,2,0,0,0,0|2,0,0]=4 3042 B11R1.3 CC(=O)N1CCC(CC1)C#N 240690a_100000747632_100015343762 [0,2,0,0,0,0|2,0,0]=4 3043 B11R1.3 CC(=O)N1CCC(CC1)C#N 527a_100000747632_100103153847 [0,2,0,0,0,0|2,0,0]=4 3044 B11R1.3 CC(=O)N1CCC(CC1)CF 11a_100015203933_100015343762 [0,2,0,0,0,0|2,0,0]=4 3045 B11R1.3 CC(=O)N1CCC(CC1)CF 1626a_100015203933_100015343762 [0,2,0,0,0,0|2,0,0]=4 3046 B11R1.3 CC(=O)N1CCC(CC1)CF 240690a_100015203933_100015343762 [0,2,0,0,0,0|2,0,0]=4 3047 B11R1.3 CC(=O)N1CCC(CC1)CF 527a_100015203933_100103153847 [0,2,0,0,0,0|2,0,0]=4 3048 B11R1.3 CC(=O)N1CCC(CC1)CO 240690a_100000738675_100015343762 [0,2,0,0,0,0|2,0,0]=4 3049 B11R1.3 CC(=O)N1CCC(CC1)CO 527a_100000738675_100103153847 [0,2,0,0,0,0|2,0,0]=4 3050 B11R1.3 CC(=O)N1CCC(CC1)N[13CH3] 2230a_100000203771_200025704644 [0,2,0,0,0,0|2,0,0]=4 3051 B11R1.3 CC(=O)N1CCC(CC1)O[13CH3] 7a_100000194330_200025704644 [0,2,0,0,0,0|2,0,0]=4 3052 B11R1.3 CC(=O)N1CCC(CC1)S[13CH3] 62a_200025704644_100011863393 [0,2,0,0,0,0|2,0,0]=4 3053 B11R1.3 CC(=O)[C@H]1CC[C@@H](CC1)C#N 1458a_100132307125_200000210301 [0,2,0,0,0,0|1,0,0]=3 3054 B11R1.3 CCC1CCN(CC1)C(=O)C 11a_100000754474_100015343762 [0,2,0,0,0,0|2,0,0]=4 3055 B11R1.3 CCC1CCN(CC1)C(=O)C 1626a_100000754474_100015343762 [0,2,0,0,0,0|2,0,0]=4 3056 B11R1.3 CCC1CCN(CC1)C(=O)C 240690a_100000754474_100015343762 [0,2,0,0,0,0|2,0,0]=4 3057 B11R1.3 CCC1CCN(CC1)C(=O)C 527a_100000754474_100103153847 [0,2,0,0,0,0|2,0,0]=4 3058 B11R1.3 CCN1CCC(CC1)C(=O)C 1458a_100015186486_200000210301 [0,2,0,0,0,0|2,0,0]=4 3059 B11R1.3 CCN1CCC(CC1)C(=O)N 2230a_100000210938_100000210202 [0,2,0,0,0,0|2,0,0]=4 3060 B11R1.3 CCN1CCC(CC1)C(=O)N 269982a_100000210938_100000204670 [0,2,0,0,0,0|2,0,0]=4 3061 B11R1.3 CCN1CCC(CC1)C(=O)N 34a_100000210938_100000210202 [0,2,0,0,0,0|2,0,0]=4 3062 B11R1.3 CCN1CCC(CC1)C(=O)O 269956a_100000210459_100000210202 [0,2,0,0,0,0|1,0,0]=3 3063 B11R1.3 CCN1CCC(CC1)C(=O)[13CH3] 1458a_100015186486_200025704644 [0,2,0,0,0,0|2,0,0]=4 3064 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)C 1458a_100000709782_200000210301 [0,2,0,0,0,0|1,0,0]=3 3065 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100000709782_200025704644 [0,2,0,0,0,0|1,0,0]=3 3066 B11R1.3 CNC1CCC(CC1)C(=O)N 270004a_106832991635_200000102705 [0,2,0,0,0,0|1,0,0]=3 3067 B11R1.3 CNC1CCN(CC1)C(=O)C 2230a_100000203771_200000210301 [0,2,0,0,0,0|2,0,0]=4 3068 B11R1.3 CNC1CCN(CC1)C(=O)C 270004a_106832991635_100000162417 [0,2,0,0,0,0|2,0,0]=4 3069 B11R1.3 CN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_200000210301 [0,2,0,0,0,0|0,0,0]=2 3070 B11R1.3 COC1CCC(CC1)C(=O)C 1458a_100011215563_200000210301 [0,2,0,0,0,0|1,0,0]=3 3071 B11R1.3 COC1CCC(CC1)C(=O)[13CH3] 1458a_100011215563_200025704644 [0,2,0,0,0,0|1,0,0]=3 3072 B11R1.3 COC1CCN(CC1)C(=O)C 11a_100000234800_100015343762 [0,2,0,0,0,0|2,0,0]=4 3073 B11R1.3 COC1CCN(CC1)C(=O)C 1626a_100000234800_100015343762 [0,2,0,0,0,0|2,0,0]=4 3074 B11R1.3 COC1CCN(CC1)C(=O)C 240690a_100000234800_100015343762 [0,2,0,0,0,0|2,0,0]=4 3075 B11R1.3 COC1CCN(CC1)C(=O)C 527a_100000234800_100103153847 [0,2,0,0,0,0|2,0,0]=4 3076 B11R1.3 COC1CCN(CC1)C(=O)C 7a_100000194330_200000210301 [0,2,0,0,0,0|2,0,0]=4 3077 B11R1.3 CSC1CCN(CC1)C(=O)C 11a_100015202541_100015343762 [0,2,0,0,0,0|2,0,0]=4 3078 B11R1.3 CSC1CCN(CC1)C(=O)C 1626a_100015202541_100015343762 [0,2,0,0,0,0|2,0,0]=4 3079 B11R1.3 CSC1CCN(CC1)C(=O)C 240690a_100015202541_100015343762 [0,2,0,0,0,0|2,0,0]=4 3080 B11R1.3 CSC1CCN(CC1)C(=O)C 527a_100015202541_100103153847 [0,2,0,0,0,0|2,0,0]=4 3081 B11R1.3 CSC1CCN(CC1)C(=O)C 62a_200000210301_100011863393 [0,2,0,0,0,0|2,0,0]=4 3082 B11R1.3 NC(=O)C1CCN(CC1)CF 269982a_100000210938_100015361967 [0,2,0,0,0,0|2,0,0]=4 3083 B11R1.3 NC(=O)C1CCN(CC1)CF 34a_100000210938_100015361967 [0,2,0,0,0,0|2,0,0]=4 3084 B11R1.3 O=C(O)C1CCN(CC1)CF 269956a_100000210459_100015361967 [0,2,0,0,0,0|1,0,0]=3 3085 B11R1.3 [13CH3]C(=O)C1CCC(CC1)CO 1458a_100011217856_200025704644 [0,2,0,0,0,0|1,0,0]=3 3086 B11R1.3 [13CH3]C(=O)[C@H]1CC[C@@H](CC1)C#N 1458a_100132307125_200025704644 [0,2,0,0,0,0|1,0,0]=3 3087 B11R1.3 [13CH3]N[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_200025704644 [0,2,0,0,0,0|0,0,0]=2 3088 B11R1.21 CC(=O)N1CCC(C(C1)C)O 240690a_100011998114_100015343762 [0,2,0,0,0,0|2,0,0]=4 3089 B11R1.21 CC(=O)N1CCC(C(C1)C)O 527a_100011998114_100103153847 [0,2,0,0,0,0|2,0,0]=4 3090 B11R1.21 CC(=O)N1CCC(C(C1)O)C 11a_100000696640_100015343762 [0,2,0,0,0,0|2,0,0]=4 3091 B11R1.21 CC(=O)N1CCC(C(C1)O)C 240690a_100000696640_100015343762 [0,2,0,0,0,0|2,0,0]=4 3092 B11R1.21 CC(=O)N1CCC(C(C1)O)C 527a_100000696640_100103153847 [0,2,0,0,0,0|2,0,0]=4 3093 B11R1.21 CC(=O)N1CC[C@H]([C@H](C1)F)O 240690a_200016994291_100015343762 [0,2,0,0,0,0|2,0,0]=4 3094 B11R1.21 CC(=O)N1CC[C@H]([C@H](C1)F)O 527a_200016994291_100103153847 [0,2,0,0,0,0|2,0,0]=4 3095 B11R1.21 CC(=O)N1CC[C@H]([C@H](C1)O)O 11a_100000690696_100015343762 [0,2,0,0,0,0|2,0,0]=4 3096 B11R1.21 CC(=O)N1CC[C@H]([C@H](C1)O)O 240690a_100000690696_100015343762 [0,2,0,0,0,0|2,0,0]=4 3097 B11R1.21 CC(=O)N1CC[C@H]([C@H](C1)O)O 527a_100000690696_100103153847 [0,2,0,0,0,0|2,0,0]=4 3098 B11R1.22 C#CC(=O)C1CCC(CC1)C 1458a_100000211873_200011216234 [0,2,0,0,0,0|1,0,0]=3 3099 B11R1.22 C=C1CCC(CC1)C(=O)CC 1458a_200000138047_100000210202 [0,2,0,0,0,0|1,0,1]=4 3100 B11R1.22 C=C1CCC(CC1)C(=O)CF 1458a_200000138047_100015361967 [0,2,0,0,0,0|1,0,1]=4 3101 B11R1.22 C=C1CCC(CC1)C(=O)NC 11a_106832991635_200000138047 [0,2,0,0,0,0|1,0,1]=4 3102 B11R1.22 C=C1CCC(CC1)C(=O)NC 1626a_100102657272_200000138047 [0,2,0,0,0,0|1,0,1]=4 3103 B11R1.22 C=C1CCC(CC1)C(=O)NC 240690a_100102657272_200000138047 [0,2,0,0,0,0|1,0,1]=4 3104 B11R1.22 C=C1CCC(CC1)C(=O)NC 527a_100102657272_200000138047 [0,2,0,0,0,0|1,0,1]=4 3105 B11R1.22 C=C1CCN(CC1)C(=O)CO 240690a_100000752442_100000210174 [0,2,0,0,0,0|1,0,1]=4 3106 B11R1.22 C=C1CCN(CC1)C(=O)CO 527a_100000752442_100000210174 [0,2,0,0,0,0|1,0,1]=4 3107 B11R1.22 C=CC(=O)C1CCC(CC1)C 1458a_100000185746_200011216234 [0,2,0,0,0,0|1,0,0]=3 3108 B11R1.22 C=CC(=O)N1CCC(CC1)C 240690a_100000188429_200121576911 [0,2,0,0,0,0|2,0,0]=4 3109 B11R1.22 C=CC(=O)N1CCC(CC1)F 1626a_100015193889_100000185746 [0,2,0,0,0,0|2,0,0]=4 3110 B11R1.22 C=CC(=O)N1CCC(CC1)F 240690a_100015193889_200121576911 [0,2,0,0,0,0|2,0,0]=4 3111 B11R1.22 C=CC(=O)N1CCC(CC1)O 240690a_100025773856_200121576911 [0,2,0,0,0,0|2,0,0]=4 3112 B11R1.22 CC1CCC(CC1)C(=O)CO 1458a_100000210174_200011216234 [0,2,0,0,0,0|0,0,0]=2 3113 B11R1.22 CC1CCN(CC1)C(=O)CO 240690a_100000188429_100000210174 [0,2,0,0,0,0|1,0,0]=3 3114 B11R1.22 CC1CCN(CC1)C(=O)CO 527a_100000188429_100000210174 [0,2,0,0,0,0|1,0,0]=3 3115 B11R1.22 CCC(=O)C1CCC(CC1)C 1458a_100000210414_200011216234 [0,2,0,0,0,0|1,0,0]=3 3116 B11R1.22 CCC(=O)C1CCC(CC1)O 1458a_100000743365_100000210202 [0,2,0,0,0,0|1,0,0]=3 3117 B11R1.22 CCC(=O)C1CCN(CC1)C 1458a_100000743488_100000210202 [0,2,0,0,0,0|2,0,0]=4 3118 B11R1.22 CCC(=O)N1CCC(CC1)C 240690a_100000188429_100000210414 [0,2,0,0,0,0|2,0,0]=4 3119 B11R1.22 CCC(=O)N1CCC(CC1)C 527a_100000188429_100000210414 [0,2,0,0,0,0|2,0,0]=4 3120 B11R1.22 CCC(=O)N1CCC(CC1)F 11a_100015193889_100000210414 [0,2,0,0,0,0|2,0,0]=4 3121 B11R1.22 CCC(=O)N1CCC(CC1)F 1626a_100015193889_100000210414 [0,2,0,0,0,0|2,0,0]=4 3122 B11R1.22 CCC(=O)N1CCC(CC1)F 240690a_100015193889_100000210414 [0,2,0,0,0,0|2,0,0]=4 3123 B11R1.22 CCC(=O)N1CCC(CC1)F 527a_100015193889_100000210414 [0,2,0,0,0,0|2,0,0]=4 3124 B11R1.22 CCC(=O)N1CCC(CC1)O 240690a_100025773856_100000210414 [0,2,0,0,0,0|2,0,0]=4 3125 B11R1.22 CCC(=O)N1CCC(CC1)O 527a_100025773856_100000210414 [0,2,0,0,0,0|2,0,0]=4 3126 B11R1.22 CCC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000210202 [0,2,0,0,0,0|1,0,0]=3 3127 B11R1.22 CN1CCC(CC1)C(=O)CF 1458a_100000743488_100015361967 [0,2,0,0,0,0|2,0,0]=4 3128 B11R1.22 CN1CCN(CC1)C(=O)CO 240690a_100000188432_100000210174 [0,2,0,0,0,0|2,0,0]=4 3129 B11R1.22 CN1CCN(CC1)C(=O)CO 527a_100000188432_100000210174 [0,2,0,0,0,0|2,0,0]=4 3130 B11R1.22 CNC(=O)C1CCC(CC1)O 1626a_100102657272_100000743365 [0,2,0,0,0,0|1,0,0]=3 3131 B11R1.22 CNC(=O)C1CCC(CC1)O 240690a_100102657272_100000743365 [0,2,0,0,0,0|1,0,0]=3 3132 B11R1.22 CNC(=O)C1CCC(CC1)O 527a_100102657272_100000743365 [0,2,0,0,0,0|1,0,0]=3 3133 B11R1.22 CNC(=O)C1CCN(CC1)C 2230a_100000746005_200000210301 [0,2,0,0,0,0|2,0,0]=4 3134 B11R1.22 CNC(=O)C1CCN(CC1)C 240690a_100102657272_100000743488 [0,2,0,0,0,0|2,0,0]=4 3135 B11R1.22 CNC(=O)C1CCN(CC1)C 269982a_100000746005_200000210301 [0,2,0,0,0,0|2,0,0]=4 3136 B11R1.22 CNC(=O)C1CCN(CC1)C 34a_100000746005_200000210301 [0,2,0,0,0,0|2,0,0]=4 3137 B11R1.22 CNC(=O)C1CCN(CC1)C 527a_100102657272_100000743488 [0,2,0,0,0,0|2,0,0]=4 3138 B11R1.22 CNC(=O)C1CCN(CC1)[13CH3] 2230a_100000746005_200025704644 [0,2,0,0,0,0|2,0,0]=4 3139 B11R1.22 CNC(=O)C1CCN(CC1)[13CH3] 269982a_100000746005_200025704644 [0,2,0,0,0,0|2,0,0]=4 3140 B11R1.22 CNC(=O)C1CCN(CC1)[13CH3] 34a_100000746005_200025704644 [0,2,0,0,0,0|2,0,0]=4 3141 B11R1.22 CNC(=O)N1CCC(CC1)C 2708a_100102657272_100000188429 [0,2,0,0,0,0|2,0,0]=4 3142 B11R1.22 CNC(=O)N1CCC(CC1)C 273464a_100102657272_100000188429 [0,2,0,0,0,0|2,0,0]=4 3143 B11R1.22 CNC(=O)N1CCC(CC1)F 2708a_100102657272_100015193889 [0,2,0,0,0,0|2,0,0]=4 3144 B11R1.22 CNC(=O)N1CCC(CC1)F 273464a_100102657272_100015193889 [0,2,0,0,0,0|2,0,0]=4 3145 B11R1.22 CNC(=O)N1CCC(CC1)O 2708a_100102657272_100025773856 [0,2,0,0,0,0|2,0,0]=4 3146 B11R1.22 CNC(=O)N1CCC(CC1)O 273464a_100102657272_100025773856 [0,2,0,0,0,0|2,0,0]=4 3147 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 11a_106832991635_100009815934 [0,2,0,0,0,0|1,0,0]=3 3148 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 1626a_100102657272_100009815934 [0,2,0,0,0,0|1,0,0]=3 3149 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 240690a_100102657272_100009815934 [0,2,0,0,0,0|1,0,0]=3 3150 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)C 527a_100102657272_100009815934 [0,2,0,0,0,0|1,0,0]=3 3151 B11R1.22 COC(=O)C1CCN(CC1)C 2230a_100000212072_200000210301 [0,2,0,0,0,0|1,0,0]=3 3152 B11R1.22 COC(=O)C1CCN(CC1)C 269982a_100000212072_200000210301 [0,2,0,0,0,0|1,0,0]=3 3153 B11R1.22 COC(=O)C1CCN(CC1)[13CH3] 2230a_100000212072_200025704644 [0,2,0,0,0,0|1,0,0]=3 3154 B11R1.22 COC(=O)C1CCN(CC1)[13CH3] 269982a_100000212072_200025704644 [0,2,0,0,0,0|1,0,0]=3 3155 B11R1.22 COC(=O)N1CCN(CC1)C 2230a_100000742817_200000210301 [0,2,0,0,0,0|2,0,0]=4 3156 B11R1.22 COC(=O)N1CCN(CC1)C 269982a_100000742817_200000210301 [0,2,0,0,0,0|2,0,0]=4 3157 B11R1.22 COC(=O)N1CCN(CC1)[13CH3] 2230a_100000742817_200025704644 [0,2,0,0,0,0|2,0,0]=4 3158 B11R1.22 COC(=O)N1CCN(CC1)[13CH3] 269982a_100000742817_200025704644 [0,2,0,0,0,0|2,0,0]=4 3159 B11R1.22 C[C@H]1CC[C@@H](CC1)C(=O)CF 1458a_100009815934_100015361967 [0,2,0,0,0,0|1,0,0]=3 3160 B11R1.22 O=C(CF)C1CCC(CC1)O 1458a_100000743365_100015361967 [0,2,0,0,0,0|1,0,0]=3 3161 B11R1.22 O=C(CO)N1CCC(CC1)F 240690a_100015193889_100000210174 [0,2,0,0,0,0|1,0,0]=3 3162 B11R1.22 O=C(CO)N1CCC(CC1)F 527a_100015193889_100000210174 [0,2,0,0,0,0|1,0,0]=3 3163 B11R1.22 O=C(CO)N1CCC(CC1)O 240690a_100025773856_100000210174 [0,2,0,0,0,0|1,0,0]=3 3164 B11R1.22 O=C(CO)N1CCC(CC1)O 527a_100025773856_100000210174 [0,2,0,0,0,0|1,0,0]=3 3165 B11R1.22 O=C(CO)N1CCS(=O)CC1 240690a_100000752083_100000210174 [0,2,0,0,0,0|2,0,0]=4 3166 B11R1.22 O=C(CO)N1CCS(=O)CC1 527a_100000752083_100000210174 [0,2,0,0,0,0|2,0,0]=4 3167 B11R1.166 CN1CC(CCC1C(=O)O)O 269956a_100000089875_200000210301 [0,2,0,0,0,0|1,0,0]=3 3168 B11R1.166 [13CH3]N1CC(CCC1C(=O)O)O 269956a_100000089875_200025704644 [0,2,0,0,0,0|1,0,0]=3 3169 B11R1.220 CC(=O)C1(CCN(CC1)C)O 1458a_100015186493_200000210301 [0,2,0,0,0,0|2,0,0]=4 3170 B11R1.220 CC1(CCN(CC1)[13CH3])C(=O)O 269956a_100000699452_200025704644 [0,2,0,0,0,0|1,0,0]=3 3171 B11R1.220 CN1CCC(CC1)(C)C(=O)O 269956a_100000699452_200000210301 [0,2,0,0,0,0|1,0,0]=3 3172 B11R1.220 CN1CCC(CC1)(F)C(=O)O 269956a_100020586884_200000210301 [0,2,0,0,0,0|1,0,0]=3 3173 B11R1.220 CN1CCC(CC1)(O)C(=O)[13CH3] 1458a_100015186493_200025704644 [0,2,0,0,0,0|2,0,0]=4 3174 B11R1.220 [13CH3]N1CCC(CC1)(F)C(=O)O 269956a_100020586884_200025704644 [0,2,0,0,0,0|1,0,0]=3 3175 B11R1.727 CC(=O)C1CCC(CC1)(F)F 1458a_100000070787_100009865109 [0,2,0,0,0,0|1,0,0]=3 3176 B11R1.727 CC(=O)C1CCC(CC1)(F)F 1458a_100000752077_200000210301 [0,2,0,0,0,0|1,0,0]=3 3177 B11R1.727 CC(=O)C1CCS(=O)(=O)CC1 1458a_100000755231_200000210301 [0,2,0,0,0,0|2,0,0]=4 3178 B11R1.727 CC(=O)N1CCC(CC1)(C)C 11a_100000750138_100015343762 [0,2,0,0,0,0|2,0,0]=4 3179 B11R1.727 CC(=O)N1CCC(CC1)(C)C 1626a_100000750138_100015343762 [0,2,0,0,0,0|2,0,0]=4 3180 B11R1.727 CC(=O)N1CCC(CC1)(C)C 240690a_100000750138_100015343762 [0,2,0,0,0,0|2,0,0]=4 3181 B11R1.727 CC(=O)N1CCC(CC1)(C)C 527a_100000750138_100103153847 [0,2,0,0,0,0|2,0,0]=4 3182 B11R1.727 CC(=O)N1CCC(CC1)(C)O 240690a_100000690209_100015343762 [0,2,0,0,0,0|2,0,0]=4 3183 B11R1.727 CC(=O)N1CCC(CC1)(C)O 527a_100000690209_100103153847 [0,2,0,0,0,0|2,0,0]=4 3184 B11R1.727 CC(=O)N1CCC(CC1)(F)F 11a_100000724815_100015343762 [0,2,0,0,0,0|2,0,0]=4 3185 B11R1.727 CC(=O)N1CCC(CC1)(F)F 240690a_100000724815_100015343762 [0,2,0,0,0,0|2,0,0]=4 3186 B11R1.727 CC(=O)N1CCC(CC1)(F)F 527a_100000724815_100103153847 [0,2,0,0,0,0|2,0,0]=4 3187 B11R1.727 [13CH3]C(=O)C1CCC(CC1)(F)F 1458a_100000752077_200025704644 [0,2,0,0,0,0|1,0,0]=3 3188 B11R1.727 [13CH3]C(=O)C1CCS(=O)(=O)CC1 1458a_100000755231_200025704644 [0,2,0,0,0,0|2,0,0]=4 3189 B11R1.7 CNS(=O)(=O)C1CCCCC1 270084a_100102657272_100011219266 [0,2,0,0,0,0|1,0,1]=4 3190 B11R1.7 CNS(=O)(=O)C1CCCCC1 274078a_100102657272_100011219266 [0,2,0,0,0,0|1,0,1]=4 3191 B11R1.12 CCC(OC)C1CCCCC1 34a_100011215090_200000210301 [0,2,0,0,0,0|1,0,1]=4 3192 B11R1.12 CCC(OC)C1CCCCC1 7a_100011215090_200000210301 [0,2,0,0,0,0|1,0,1]=4 3193 B11R1.12 CCC(O[13CH3])C1CCCCC1 34a_100011215090_200025704644 [0,2,0,0,0,0|1,0,1]=4 3194 B11R1.12 CCC(O[13CH3])C1CCCCC1 7a_100011215090_200025704644 [0,2,0,0,0,0|1,0,1]=4 3195 B11R1.12 CN[C@@H](CO)C1CCCCC1 2230a_100009817630_200000210301 [0,2,0,0,0,0|1,0,1]=4 3196 B11R1.12 CN[C@@H](CO)C1CCCCC1 34a_100009817630_200000210301 [0,2,0,0,0,0|1,0,1]=4 3197 B11R1.12 [13CH3]N[C@@H](CO)C1CCCCC1 2230a_100009817630_200025704644 [0,2,0,0,0,0|1,0,1]=4 3198 B11R1.12 [13CH3]N[C@@H](CO)C1CCCCC1 34a_100009817630_200025704644 [0,2,0,0,0,0|1,0,1]=4 3199 B11R1.16 C#CCC(=O)C1CCCCC1 1458a_100000210647_100000184674 [0,2,0,0,0,0|1,0,0]=3 3200 B11R1.16 C#CCC(=O)C1CCCCC1 1458a_100011220946_100000210327 [0,2,0,0,0,0|1,0,0]=3 3201 B11R1.16 C#CCC(=O)C1CCCCO1 1458a_100000748299_100000184674 [0,2,0,0,0,0|2,0,0]=4 3202 B11R1.16 C#CCC(=O)C1CCCOC1 1458a_100000741522_100000184674 [0,2,0,0,0,0|2,0,0]=4 3203 B11R1.16 C#CCC(=O)C1CCCOC1 1458a_100011220946_100000693364 [0,2,0,0,0,0|2,0,0]=4 3204 B11R1.16 C#CCC(=O)C1CCOCC1 1458a_100000195482_100000184674 [0,2,0,0,0,0|2,0,0]=4 3205 B11R1.16 C#CCC(=O)C1CCOCC1 1458a_100011220946_100011324220 [0,2,0,0,0,0|2,0,0]=4 3206 B11R1.16 C#CCC(=O)C1CCSCC1 1458a_100000755232_100000184674 [0,2,0,0,0,0|2,0,0]=4 3207 B11R1.16 C=CCC(=O)C1CCCCC1 1458a_100000210193_100000210327 [0,2,0,0,0,0|1,0,0]=3 3208 B11R1.16 C=CCC(=O)C1CCCCC1 1458a_100000210647_100000210623 [0,2,0,0,0,0|1,0,0]=3 3209 B11R1.16 C=CCC(=O)C1CCCCO1 1458a_100000748299_100000210623 [0,2,0,0,0,0|2,0,0]=4 3210 B11R1.16 C=CCC(=O)C1CCCOC1 1458a_100000210193_100000693364 [0,2,0,0,0,0|2,0,0]=4 3211 B11R1.16 C=CCC(=O)C1CCCOC1 1458a_100000741522_100000210623 [0,2,0,0,0,0|2,0,0]=4 3212 B11R1.16 C=CCC(=O)C1CCOCC1 1458a_100000195482_100000210623 [0,2,0,0,0,0|2,0,0]=4 3213 B11R1.16 C=CCC(=O)C1CCOCC1 1458a_100000210193_100011324220 [0,2,0,0,0,0|2,0,0]=4 3214 B11R1.16 C=CCC(=O)C1CCSCC1 1458a_100000755232_100000210623 [0,2,0,0,0,0|2,0,0]=4 3215 B11R1.16 CC#CC(=O)C1CCCCC1 1458a_100000763181_100000210327 [0,2,0,0,0,0|1,0,0]=3 3216 B11R1.16 CC#CC(=O)C1CCCOC1 1458a_100000763181_100000693364 [0,2,0,0,0,0|2,0,0]=4 3217 B11R1.16 CC#CC(=O)C1CCOCC1 1458a_100000763181_100011324220 [0,2,0,0,0,0|2,0,0]=4 3218 B11R1.16 CC(OCF)C1CCCCC1 34a_100011216961_100015361967 [0,2,0,0,0,0|1,0,1]=4 3219 B11R1.16 CC(OCF)C1CCCCC1 7a_100011216961_100015361967 [0,2,0,0,0,0|1,0,1]=4 3220 B11R1.16 CC=CC(=O)C1CCCCC1 1458a_100000210699_100000210327 [0,2,0,0,0,0|1,0,0]=3 3221 B11R1.16 CC=CC(=O)C1CCCOC1 1458a_100000210699_100000693364 [0,2,0,0,0,0|2,0,0]=4 3222 B11R1.16 CC=CC(=O)C1CCOCC1 1458a_100000210699_100011324220 [0,2,0,0,0,0|2,0,0]=4 3223 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000210647_100000210303 [0,2,0,0,0,0|1,0,0]=3 3224 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000211992_100000210327 [0,2,0,0,0,0|1,0,0]=3 3225 B11R1.16 CCCC(=O)C1CCCCO1 1458a_100000748299_100000210303 [0,2,0,0,0,0|2,0,0]=4 3226 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000211992_100000693364 [0,2,0,0,0,0|2,0,0]=4 3227 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000741522_100000210303 [0,2,0,0,0,0|2,0,0]=4 3228 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000195482_100000210303 [0,2,0,0,0,0|2,0,0]=4 3229 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000211992_100011324220 [0,2,0,0,0,0|2,0,0]=4 3230 B11R1.16 CCCC(=O)C1CCSCC1 1458a_100000755232_100000210303 [0,2,0,0,0,0|2,0,0]=4 3231 B11R1.16 CCNC(=O)C1CCCCC1 11a_100015525214_100000210647 [0,2,0,0,0,0|1,0,0]=3 3232 B11R1.16 CCNC(=O)C1CCCCC1 240690a_100015525214_100000210647 [0,2,0,0,0,0|1,0,0]=3 3233 B11R1.16 CCNC(=O)C1CCCCC1 527a_100015525214_100000210647 [0,2,0,0,0,0|1,0,0]=3 3234 B11R1.16 CCNC(=O)C1CCCCO1 11a_100015525214_100000748299 [0,2,0,0,0,0|2,0,0]=4 3235 B11R1.16 CCNC(=O)C1CCCCO1 240690a_100015525214_100000748299 [0,2,0,0,0,0|2,0,0]=4 3236 B11R1.16 CCNC(=O)C1CCCCO1 527a_100015525214_100000748299 [0,2,0,0,0,0|2,0,0]=4 3237 B11R1.16 CCNC(=O)C1CCCOC1 11a_100015525214_100000741522 [0,2,0,0,0,0|2,0,0]=4 3238 B11R1.16 CCNC(=O)C1CCCOC1 240690a_100015525214_100000741522 [0,2,0,0,0,0|2,0,0]=4 3239 B11R1.16 CCNC(=O)C1CCCOC1 527a_100015525214_100000741522 [0,2,0,0,0,0|2,0,0]=4 3240 B11R1.16 CCNC(=O)C1CCOCC1 11a_100015525214_100000195482 [0,2,0,0,0,0|2,0,0]=4 3241 B11R1.16 CCNC(=O)C1CCOCC1 240690a_100015525214_100000195482 [0,2,0,0,0,0|2,0,0]=4 3242 B11R1.16 CCNC(=O)C1CCOCC1 527a_100015525214_100000195482 [0,2,0,0,0,0|2,0,0]=4 3243 B11R1.16 CCNC(=O)C1CCSCC1 11a_100015525214_100000755232 [0,2,0,0,0,0|2,0,0]=4 3244 B11R1.16 CCNC(=O)C1CCSCC1 240690a_100015525214_100000755232 [0,2,0,0,0,0|2,0,0]=4 3245 B11R1.16 CCNC(=O)C1CCSCC1 527a_100015525214_100000755232 [0,2,0,0,0,0|2,0,0]=4 3246 B11R1.16 CCOC(C)C1CCCCC1 34a_100011216961_100000210202 [0,2,0,0,0,0|1,0,1]=4 3247 B11R1.16 CCOC(C)C1CCCCC1 7a_100011216961_100000210202 [0,2,0,0,0,0|1,0,1]=4 3248 B11R1.16 CN(CC=O)C1CCCCC1 2230a_100000207522_200015260668 [0,2,0,0,0,0|2,0,0]=4 3249 B11R1.16 CN(CC=O)C1CCCCC1 269982a_100000207522_200015260668 [0,2,0,0,0,0|2,0,0]=4 3250 B11R1.16 CN(CC=O)C1CCCCC1 34a_100000207522_200009817547 [0,2,0,0,0,0|2,0,0]=4 3251 B11R1.16 CN(CCO)C1CCCCC1 2230a_100000200466_200000210301 [0,2,0,0,0,0|2,0,0]=4 3252 B11R1.16 CN(CCO)C1CCCCC1 2230a_100000207522_100000211926 [0,2,0,0,0,0|2,0,0]=4 3253 B11R1.16 CN(CCO)C1CCCCC1 269982a_100000200466_200000210301 [0,2,0,0,0,0|2,0,0]=4 3254 B11R1.16 CN(CCO)C1CCCCC1 269982a_100000207522_100000211926 [0,2,0,0,0,0|2,0,0]=4 3255 B11R1.16 CN(CCO)C1CCCCC1 269982a_100000210263_100000210327 [0,2,0,0,0,0|2,0,0]=4 3256 B11R1.16 CN(CCO)C1CCCCC1 270004a_100000210263_100000210434 [0,2,0,0,0,0|2,0,0]=4 3257 B11R1.16 CN(CCO)C1CCCCC1 34a_100000200466_200000210301 [0,2,0,0,0,0|2,0,0]=4 3258 B11R1.16 CN(CCO)C1CCCCC1 34a_100000207522_100000211926 [0,2,0,0,0,0|2,0,0]=4 3259 B11R1.16 CNCC(=O)C1CCCCC1 2230a_106832991635_100000241979 [0,2,0,0,0,0|1,0,0]=3 3260 B11R1.16 CNCC(=O)C1CCCCC1 34a_100102657272_100000241979 [0,2,0,0,0,0|1,0,0]=3 3261 B11R1.16 CNCC(=O)C1CCCCC1 7a_106832991635_100000241979 [0,2,0,0,0,0|1,0,0]=3 3262 B11R1.16 CNCC(=O)C1CCOCC1 2230a_106832991635_100000689883 [0,2,0,0,0,0|2,0,0]=4 3263 B11R1.16 CNCC(=O)C1CCOCC1 34a_100102657272_100000689883 [0,2,0,0,0,0|2,0,0]=4 3264 B11R1.16 CNCC(=O)C1CCOCC1 7a_106832991635_100000689883 [0,2,0,0,0,0|2,0,0]=4 3265 B11R1.16 CNCC(=O)N1CCCCC1 2230a_100000751303_200000210301 [0,2,0,0,0,0|2,0,0]=4 3266 B11R1.16 CNCC(=O)N1CCCCC1 2230a_106832991635_100000183409 [0,2,0,0,0,0|2,0,0]=4 3267 B11R1.16 CNCC(=O)N1CCCCC1 34a_100102657272_100000183409 [0,2,0,0,0,0|2,0,0]=4 3268 B11R1.16 CNCC(=O)N1CCCCC1 7a_106832991635_100000183409 [0,2,0,0,0,0|2,0,0]=4 3269 B11R1.16 CNNC(=O)C1CCCCC1 22a_100016993582_100000210647 [0,2,0,0,0,0|1,0,0]=3 3270 B11R1.16 CNNC(=O)C1CCCCO1 22a_100016993582_100000748299 [0,2,0,0,0,0|2,0,0]=4 3271 B11R1.16 CNNC(=O)C1CCCOC1 22a_100016993582_100000741522 [0,2,0,0,0,0|2,0,0]=4 3272 B11R1.16 CNNC(=O)C1CCOCC1 22a_100016993582_100000195482 [0,2,0,0,0,0|2,0,0]=4 3273 B11R1.16 CNNC(=O)C1CCSCC1 22a_100016993582_100000755232 [0,2,0,0,0,0|2,0,0]=4 3274 B11R1.16 COCC(=O)C1C=CCCC1 1458a_100000210968_100000751183 [0,2,0,0,0,0|0,0,2]=4 3275 B11R1.16 COCC(=O)C1CCCCC1 1458a_100000210968_100000210327 [0,2,0,0,0,0|0,0,0]=2 3276 B11R1.16 COCC(=O)C1CCCCC1 34a_100138415774_100000241979 [0,2,0,0,0,0|0,0,0]=2 3277 B11R1.16 COCC(=O)C1CCCOC1 1458a_100000210968_100000693364 [0,2,0,0,0,0|1,0,0]=3 3278 B11R1.16 COCC(=O)C1CCOCC1 1458a_100000210968_100011324220 [0,2,0,0,0,0|1,0,0]=3 3279 B11R1.16 COCC(=O)C1CCOCC1 34a_100138415774_100000689883 [0,2,0,0,0,0|1,0,0]=3 3280 B11R1.16 COCC(=O)N1CCCCC1 34a_100138415774_100000183409 [0,2,0,0,0,0|1,0,0]=3 3281 B11R1.16 COCC(=O)N1CCCCC1 7a_100011315646_200000210301 [0,2,0,0,0,0|1,0,0]=3 3282 B11R1.16 COCC(=O)N1CCCOC1 11a_100000131196_100000210968 [0,2,0,0,0,0|2,0,0]=4 3283 B11R1.16 COCC(=O)N1CCCOC1 240690a_100000131196_100000210968 [0,2,0,0,0,0|2,0,0]=4 3284 B11R1.16 COCC(=O)N1CCOCC1 11a_100015191051_100000210968 [0,2,0,0,0,0|2,0,0]=4 3285 B11R1.16 COCC(=O)N1CCOCC1 1626a_100015191051_100000210968 [0,2,0,0,0,0|2,0,0]=4 3286 B11R1.16 COCC(=O)N1CCOCC1 240690a_100015191051_100000210968 [0,2,0,0,0,0|2,0,0]=4 3287 B11R1.16 COCC(=O)N1CCOCC1 34a_100138415774_100000183410 [0,2,0,0,0,0|2,0,0]=4 3288 B11R1.16 COCC(=O)N1CCOCC1 527a_100015191051_100000210968 [0,2,0,0,0,0|2,0,0]=4 3289 B11R1.16 COCC(=O)N1CCOCC1 7a_100000752472_200000210301 [0,2,0,0,0,0|2,0,0]=4 3290 B11R1.16 COCC(=O)N1CCSCC1 11a_100000737611_100000210968 [0,2,0,0,0,0|2,0,0]=4 3291 B11R1.16 COCC(=O)N1CCSCC1 240690a_100000737611_100000210968 [0,2,0,0,0,0|2,0,0]=4 3292 B11R1.16 COCC(=O)N1CCSCC1 527a_100000737611_100000210968 [0,2,0,0,0,0|2,0,0]=4 3293 B11R1.16 COCN(C)C1CCCCC1 2230a_100000207522_100000766300 [0,2,0,0,0,0|2,0,0]=4 3294 B11R1.16 COCN(C)C1CCCCC1 269982a_100000207522_100000766300 [0,2,0,0,0,0|2,0,0]=4 3295 B11R1.16 COC[C@H](N)C1CCCCC1 34a_100009817630_200000210301 [0,2,0,0,0,0|1,0,1]=4 3296 B11R1.16 CSCC(=O)C1CCCCC1 1458a_100000184570_100000210327 [0,2,0,0,0,0|0,1,0]=3 3297 B11R1.16 CSCC(=O)C1CCCCC1 62a_100000241979_200000210301 [0,2,0,0,0,0|0,1,0]=3 3298 B11R1.16 CSCC(=O)C1CCCCC1 62a_200000210301_100000241979 [0,2,0,0,0,0|0,1,0]=3 3299 B11R1.16 CSCC(=O)C1CCCOC1 1458a_100000184570_100000693364 [0,2,0,0,0,0|1,1,0]=4 3300 B11R1.16 CSCC(=O)C1CCOCC1 1458a_100000184570_100011324220 [0,2,0,0,0,0|1,1,0]=4 3301 B11R1.16 CSCC(=O)C1CCOCC1 62a_100000689883_200000210301 [0,2,0,0,0,0|1,1,0]=4 3302 B11R1.16 CSCC(=O)C1CCOCC1 62a_200000210301_100000689883 [0,2,0,0,0,0|1,1,0]=4 3303 B11R1.16 CSCC(=O)N1CCCCC1 62a_100000183409_200000210301 [0,2,0,0,0,0|1,1,0]=4 3304 B11R1.16 CSCC(=O)N1CCCCC1 62a_200000210301_100000183409 [0,2,0,0,0,0|1,1,0]=4 3305 B11R1.16 N#CCC(=O)C1CCCCC1 1458a_100000210647_100011214920 [0,2,0,0,0,0|1,0,0]=3 3306 B11R1.16 N#CCC(=O)C1CCCCC1 1458a_100051588842_100000210327 [0,2,0,0,0,0|1,0,0]=3 3307 B11R1.16 N#CCC(=O)C1CCCCO1 1458a_100000748299_100011214920 [0,2,0,0,0,0|2,0,0]=4 3308 B11R1.16 N#CCC(=O)C1CCCOC1 1458a_100000741522_100011214920 [0,2,0,0,0,0|2,0,0]=4 3309 B11R1.16 N#CCC(=O)C1CCCOC1 1458a_100051588842_100000693364 [0,2,0,0,0,0|2,0,0]=4 3310 B11R1.16 N#CCC(=O)C1CCOCC1 1458a_100000195482_100011214920 [0,2,0,0,0,0|2,0,0]=4 3311 B11R1.16 N#CCC(=O)C1CCOCC1 1458a_100051588842_100011324220 [0,2,0,0,0,0|2,0,0]=4 3312 B11R1.16 N#CCC(=O)C1CCSCC1 1458a_100000755232_100011214920 [0,2,0,0,0,0|2,0,0]=4 3313 B11R1.16 O=C(C=CBr)C1CCCCC1 1458a_100016273825_100000210327 [0,2,0,0,0,0|1,0,0]=3 3314 B11R1.16 O=C(C=CBr)C1CCCOC1 1458a_100016273825_100000693364 [0,2,0,0,0,0|2,0,0]=4 3315 B11R1.16 O=C(C=CBr)C1CCOCC1 1458a_100016273825_100011324220 [0,2,0,0,0,0|2,0,0]=4 3316 B11R1.16 O=C(C=CCl)C1CCCCC1 1458a_200016279998_100000210327 [0,2,0,0,0,0|1,0,0]=3 3317 B11R1.16 O=C(C=CCl)C1CCCOC1 1458a_200016279998_100000693364 [0,2,0,0,0,0|2,0,0]=4 3318 B11R1.16 O=C(C=CCl)C1CCOCC1 1458a_200016279998_100011324220 [0,2,0,0,0,0|2,0,0]=4 3319 B11R1.16 O=C(C=CI)C1CCCCC1 1458a_100016256311_100000210327 [0,2,0,0,0,0|1,0,0]=3 3320 B11R1.16 O=C(C=CI)C1CCCOC1 1458a_100016256311_100000693364 [0,2,0,0,0,0|2,0,0]=4 3321 B11R1.16 O=C(C=CI)C1CCOCC1 1458a_100016256311_100011324220 [0,2,0,0,0,0|2,0,0]=4 3322 B11R1.16 O=C(CCF)C1CCCCC1 1458a_100000210647_100011217306 [0,2,0,0,0,0|1,0,0]=3 3323 B11R1.16 O=C(CCF)C1CCCCO1 1458a_100000748299_100011217306 [0,2,0,0,0,0|2,0,0]=4 3324 B11R1.16 O=C(CCF)C1CCCOC1 1458a_100000741522_100011217306 [0,2,0,0,0,0|2,0,0]=4 3325 B11R1.16 O=C(CCF)C1CCOCC1 1458a_100000195482_100011217306 [0,2,0,0,0,0|2,0,0]=4 3326 B11R1.16 O=C(CCF)C1CCSCC1 1458a_100000755232_100011217306 [0,2,0,0,0,0|2,0,0]=4 3327 B11R1.16 O=C(CCO)C1=CCCCC1 1458a_100000765259_100000211926 [0,2,0,0,0,0|0,0,2]=4 3328 B11R1.16 O=C(CCO)C1C=CCCC1 1458a_100011216618_100000751183 [0,2,0,0,0,0|0,0,2]=4 3329 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100000210647_100000211926 [0,2,0,0,0,0|0,0,0]=2 3330 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100011216618_100000210327 [0,2,0,0,0,0|0,0,0]=2 3331 B11R1.16 O=C(CCO)C1CCCCO1 1458a_100000748299_100000211926 [0,2,0,0,0,0|1,0,0]=3 3332 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100000741522_100000211926 [0,2,0,0,0,0|1,0,0]=3 3333 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100011216618_100000693364 [0,2,0,0,0,0|1,0,0]=3 3334 B11R1.16 O=C(CCO)C1CCOCC1 1458a_100000195482_100000211926 [0,2,0,0,0,0|1,0,0]=3 3335 B11R1.16 O=C(CCO)C1CCOCC1 1458a_100011216618_100011324220 [0,2,0,0,0,0|1,0,0]=3 3336 B11R1.16 O=C(CCO)C1CCSCC1 1458a_100000755232_100000211926 [0,2,0,0,0,0|1,0,0]=3 3337 B11R1.16 O=C(CCO)C1COCCO1 1458a_100000045528_100000211926 [0,2,0,0,0,0|2,0,0]=4 3338 B11R1.16 O=C(CCO)C1SCCCS1 1458a_100000028545_100000211926 [0,2,0,0,0,0|2,0,0]=4 3339 B11R1.16 O=C(CCO)N1CCCOC1 240690a_100000131196_100011216618 [0,2,0,0,0,0|2,0,0]=4 3340 B11R1.16 O=C(CCO)N1CCOCC1 240690a_100015191051_100011216618 [0,2,0,0,0,0|2,0,0]=4 3341 B11R1.16 O=C(CCO)N1CCSCC1 240690a_100000737611_100011216618 [0,2,0,0,0,0|2,0,0]=4 3342 B11R1.16 O=C(CCO)[C@H]1CC=CCC1 1458a_100009820709_100000211926 [0,2,0,0,0,0|0,0,2]=4 3343 B11R1.16 [13CH3]N(CCO)C1CCCCC1 2230a_100000200466_200025704644 [0,2,0,0,0,0|2,0,0]=4 3344 B11R1.16 [13CH3]N(CCO)C1CCCCC1 269982a_100000200466_200025704644 [0,2,0,0,0,0|2,0,0]=4 3345 B11R1.16 [13CH3]N(CCO)C1CCCCC1 34a_100000200466_200025704644 [0,2,0,0,0,0|2,0,0]=4 3346 B11R1.16 [13CH3]NCC(=O)N1CCCCC1 2230a_100000751303_200025704644 [0,2,0,0,0,0|2,0,0]=4 3347 B11R1.16 [13CH3]OCC(=O)N1CCCCC1 7a_100011315646_200025704644 [0,2,0,0,0,0|1,0,0]=3 3348 B11R1.16 [13CH3]OCC(=O)N1CCOCC1 7a_100000752472_200025704644 [0,2,0,0,0,0|2,0,0]=4 3349 B11R1.16 [13CH3]OC[C@H](N)C1CCCCC1 34a_100009817630_200025704644 [0,2,0,0,0,0|1,0,1]=4 3350 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_100000241979_200025704644 [0,2,0,0,0,0|0,1,0]=3 3351 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_200025704644_100000241979 [0,2,0,0,0,0|0,1,0]=3 3352 B11R1.16 [13CH3]SCC(=O)C1CCOCC1 62a_100000689883_200025704644 [0,2,0,0,0,0|1,1,0]=4 3353 B11R1.16 [13CH3]SCC(=O)C1CCOCC1 62a_200025704644_100000689883 [0,2,0,0,0,0|1,1,0]=4 3354 B11R1.16 [13CH3]SCC(=O)N1CCCCC1 62a_100000183409_200025704644 [0,2,0,0,0,0|1,1,0]=4 3355 B11R1.16 [13CH3]SCC(=O)N1CCCCC1 62a_200025704644_100000183409 [0,2,0,0,0,0|1,1,0]=4 3356 B11R1.23 C=CC(=O)N1CCCC(C1)F 1626a_100000697950_100000185746 [0,2,0,0,0,0|2,0,0]=4 3357 B11R1.23 C=CC(=O)N1CCCC(C1)F 240690a_100000697950_200121576911 [0,2,0,0,0,0|2,0,0]=4 3358 B11R1.23 C=CC(=O)N1CCCC(C1)O 240690a_100000211013_200121576911 [0,2,0,0,0,0|2,0,0]=4 3359 B11R1.23 C=CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_200121576911 [0,2,0,0,0,0|2,0,0]=4 3360 B11R1.23 CC1CCCC(C1)C(=O)CF 1458a_100011215569_100015361967 [0,2,0,0,0,0|1,0,0]=3 3361 B11R1.23 CC1CN(CCO1)C(=O)CO 240690a_100000729577_100000210174 [0,2,0,0,0,0|2,0,0]=4 3362 B11R1.23 CC1CN(CCO1)C(=O)CO 527a_100000729577_100000210174 [0,2,0,0,0,0|2,0,0]=4 3363 B11R1.23 CCC(=O)C1CCCC(C1)C 1458a_100011215569_100000210202 [0,2,0,0,0,0|1,0,0]=3 3364 B11R1.23 CCC(=O)C1CCCC(C1)O 1458a_100000707227_100000210202 [0,2,0,0,0,0|1,0,0]=3 3365 B11R1.23 CCC(=O)C1CCCN(C1)C 1458a_100015257587_100000210202 [0,2,0,0,0,0|2,0,0]=4 3366 B11R1.23 CCC(=O)N1CCCC(C1)F 11a_100000697950_100000210414 [0,2,0,0,0,0|2,0,0]=4 3367 B11R1.23 CCC(=O)N1CCCC(C1)F 1626a_100000697950_100000210414 [0,2,0,0,0,0|2,0,0]=4 3368 B11R1.23 CCC(=O)N1CCCC(C1)F 240690a_100000697950_100000210414 [0,2,0,0,0,0|2,0,0]=4 3369 B11R1.23 CCC(=O)N1CCCC(C1)F 527a_100000697950_100000210414 [0,2,0,0,0,0|2,0,0]=4 3370 B11R1.23 CCC(=O)N1CCCC(C1)O 240690a_100000211013_100000210414 [0,2,0,0,0,0|2,0,0]=4 3371 B11R1.23 CCC(=O)N1CCCC(C1)O 527a_100000211013_100000210414 [0,2,0,0,0,0|2,0,0]=4 3372 B11R1.23 CCC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100000210414 [0,2,0,0,0,0|2,0,0]=4 3373 B11R1.23 CCC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100000210414 [0,2,0,0,0,0|2,0,0]=4 3374 B11R1.23 CCC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100000210414 [0,2,0,0,0,0|2,0,0]=4 3375 B11R1.23 CN1CCCC(C1)C(=O)CF 1458a_100015257587_100015361967 [0,2,0,0,0,0|2,0,0]=4 3376 B11R1.23 CNC(=O)C1CCCC(C1)C 11a_106832991635_100011215569 [0,2,0,0,0,0|1,0,0]=3 3377 B11R1.23 CNC(=O)C1CCCC(C1)C 1626a_100102657272_100011215569 [0,2,0,0,0,0|1,0,0]=3 3378 B11R1.23 CNC(=O)C1CCCC(C1)C 240690a_100102657272_100011215569 [0,2,0,0,0,0|1,0,0]=3 3379 B11R1.23 CNC(=O)C1CCCC(C1)C 527a_100102657272_100011215569 [0,2,0,0,0,0|1,0,0]=3 3380 B11R1.23 CNC(=O)C1CCCC(C1)O 1626a_100102657272_100000707227 [0,2,0,0,0,0|1,0,0]=3 3381 B11R1.23 CNC(=O)C1CCCC(C1)O 240690a_100102657272_100000707227 [0,2,0,0,0,0|1,0,0]=3 3382 B11R1.23 CNC(=O)C1CCCN(C1)C 11a_106832991635_100015257587 [0,2,0,0,0,0|2,0,0]=4 3383 B11R1.23 CNC(=O)C1CCCN(C1)C 2230a_100000754358_200000210301 [0,2,0,0,0,0|2,0,0]=4 3384 B11R1.23 CNC(=O)C1CCCN(C1)C 240690a_100102657272_100015257587 [0,2,0,0,0,0|2,0,0]=4 3385 B11R1.23 CNC(=O)C1CCCN(C1)C 269982a_100000754358_200000210301 [0,2,0,0,0,0|2,0,0]=4 3386 B11R1.23 CNC(=O)C1CCCN(C1)C 34a_100000754358_200000210301 [0,2,0,0,0,0|2,0,0]=4 3387 B11R1.23 CNC(=O)C1CCCN(C1)[13CH3] 2230a_100000754358_200025704644 [0,2,0,0,0,0|2,0,0]=4 3388 B11R1.23 CNC(=O)C1CCCN(C1)[13CH3] 269982a_100000754358_200025704644 [0,2,0,0,0,0|2,0,0]=4 3389 B11R1.23 CNC(=O)C1CCCN(C1)[13CH3] 34a_100000754358_200025704644 [0,2,0,0,0,0|2,0,0]=4 3390 B11R1.23 CNC(=O)N1CCCC(C1)F 2708a_100102657272_100000697950 [0,2,0,0,0,0|2,0,0]=4 3391 B11R1.23 CNC(=O)N1CCCC(C1)F 273464a_100102657272_100000697950 [0,2,0,0,0,0|2,0,0]=4 3392 B11R1.23 CNC(=O)N1CCCC(C1)O 2708a_100102657272_100000211013 [0,2,0,0,0,0|2,0,0]=4 3393 B11R1.23 CNC(=O)N1CCCC(C1)O 273464a_100102657272_100000211013 [0,2,0,0,0,0|2,0,0]=4 3394 B11R1.23 CNC(=O)N1CCC[C@@H](C1)C 2708a_100102657272_100000717927 [0,2,0,0,0,0|2,0,0]=4 3395 B11R1.23 CNC(=O)N1CCC[C@@H](C1)C 273464a_100102657272_100000717927 [0,2,0,0,0,0|2,0,0]=4 3396 B11R1.23 COC(=O)C1CN(CCO1)C 2230a_100000751517_200000210301 [0,2,0,0,0,0|2,0,0]=4 3397 B11R1.23 COC(=O)C1CN(CCO1)C 269982a_100000751517_200000210301 [0,2,0,0,0,0|2,0,0]=4 3398 B11R1.23 COC(=O)C1CN(CCO1)C 34a_100000751517_200000210301 [0,2,0,0,0,0|2,0,0]=4 3399 B11R1.23 COC(=O)C1CN(CCO1)[13CH3] 2230a_100000751517_200025704644 [0,2,0,0,0,0|2,0,0]=4 3400 B11R1.23 COC(=O)C1CN(CCO1)[13CH3] 269982a_100000751517_200025704644 [0,2,0,0,0,0|2,0,0]=4 3401 B11R1.23 COC(=O)C1CN(CCO1)[13CH3] 34a_100000751517_200025704644 [0,2,0,0,0,0|2,0,0]=4 3402 B11R1.23 COC(=O)[C@H]1CCCN(C1)C 2230a_100016988859_200000210301 [0,2,0,0,0,0|1,0,0]=3 3403 B11R1.23 COC(=O)[C@H]1CCCN(C1)C 269982a_100016988859_200000210301 [0,2,0,0,0,0|1,0,0]=3 3404 B11R1.23 COC(=O)[C@H]1CCCN(C1)[13CH3] 2230a_100016988859_200025704644 [0,2,0,0,0,0|1,0,0]=3 3405 B11R1.23 COC(=O)[C@H]1CCCN(C1)[13CH3] 269982a_100016988859_200025704644 [0,2,0,0,0,0|1,0,0]=3 3406 B11R1.23 C[C@H]1CCCN(C1)C(=O)CO 240690a_100000717927_100000210174 [0,2,0,0,0,0|1,0,0]=3 3407 B11R1.23 C[C@H]1CCCN(C1)C(=O)CO 527a_100000717927_100000210174 [0,2,0,0,0,0|1,0,0]=3 3408 B11R1.23 O=C(CF)C1CCCC(C1)O 1458a_100000707227_100015361967 [0,2,0,0,0,0|1,0,0]=3 3409 B11R1.23 O=C(CO)N1CCCC(C1)F 240690a_100000697950_100000210174 [0,2,0,0,0,0|1,0,0]=3 3410 B11R1.23 O=C(CO)N1CCCC(C1)F 527a_100000697950_100000210174 [0,2,0,0,0,0|1,0,0]=3 3411 B11R1.23 O=C(CO)N1CCCC(C1)O 240690a_100000211013_100000210174 [0,2,0,0,0,0|1,0,0]=3 3412 B11R1.23 O=C(CO)N1CCCC(C1)O 527a_100000211013_100000210174 [0,2,0,0,0,0|1,0,0]=3 3413 B11R1.23 O=C(CO)N1CCOC(C1)O 240690a_100000688207_100000210174 [0,2,0,0,0,0|2,0,0]=4 3414 B11R1.23 O=C(CO)N1CCOC(C1)O 527a_100000688207_100000210174 [0,2,0,0,0,0|2,0,0]=4 3415 B11R1.222 C#CC(=O)C1CCCCC1=O 1458a_100000211873_100000204591 [0,2,0,0,0,0|1,0,1]=4 3416 B11R1.222 C=CC(=O)C1CCCCC1=O 1458a_100000185746_100000204591 [0,2,0,0,0,0|1,0,1]=4 3417 B11R1.222 C=CC(=O)N1CCCCC1C 1626a_100000211376_100000185746 [0,2,0,0,0,0|2,0,0]=4 3418 B11R1.222 C=CC(=O)N1CCCCC1C 240690a_100000211376_200121576911 [0,2,0,0,0,0|2,0,0]=4 3419 B11R1.222 CC1CCCCC1C(=O)CF 1458a_100011215568_100015361967 [0,2,0,0,0,0|1,0,0]=3 3420 B11R1.222 CC1CCCCN1C(=O)CO 240690a_100000211376_100000210174 [0,2,0,0,0,0|1,0,0]=3 3421 B11R1.222 CC1CCCCN1C(=O)CO 527a_100000211376_100000210174 [0,2,0,0,0,0|1,0,0]=3 3422 B11R1.222 CCC(=O)C1CCCCC1=O 1458a_100000210414_100000204591 [0,2,0,0,0,0|1,0,1]=4 3423 B11R1.222 CCC(=O)C1CCCCC1C 1458a_100011215568_100000210202 [0,2,0,0,0,0|1,0,0]=3 3424 B11R1.222 CCC(=O)C1CCCCC1O 1458a_100011803323_100000210202 [0,2,0,0,0,0|1,0,0]=3 3425 B11R1.222 CCC(=O)N1CCCCC1C 11a_100000211376_100000210414 [0,2,0,0,0,0|2,0,0]=4 3426 B11R1.222 CCC(=O)N1CCCCC1C 1626a_100000211376_100000210414 [0,2,0,0,0,0|2,0,0]=4 3427 B11R1.222 CCC(=O)N1CCCCC1C 240690a_100000211376_100000210414 [0,2,0,0,0,0|2,0,0]=4 3428 B11R1.222 CCC(=O)N1CCCCC1C 527a_100000211376_100000210414 [0,2,0,0,0,0|2,0,0]=4 3429 B11R1.222 CCC(=O)[C@H]1CCCCN1C 1458a_100000767060_100000210202 [0,2,0,0,0,0|2,0,0]=4 3430 B11R1.222 CN1CCCC[C@@H]1C(=O)CF 1458a_100000767060_100015361967 [0,2,0,0,0,0|2,0,0]=4 3431 B11R1.222 CNC(=O)C1CCCCC1C 11a_106832991635_100011215568 [0,2,0,0,0,0|1,0,0]=3 3432 B11R1.222 CNC(=O)C1CCCCC1C 1626a_100102657272_100011215568 [0,2,0,0,0,0|1,0,0]=3 3433 B11R1.222 CNC(=O)C1CCCCC1C 240690a_100102657272_100011215568 [0,2,0,0,0,0|1,0,0]=3 3434 B11R1.222 CNC(=O)C1CCCCC1C 527a_100102657272_100011215568 [0,2,0,0,0,0|1,0,0]=3 3435 B11R1.222 CNC(=O)C1CCCCN1C 2230a_100011209383_200000210301 [0,2,0,0,0,0|2,0,0]=4 3436 B11R1.222 CNC(=O)C1CCCCN1C 269982a_100011209383_200000210301 [0,2,0,0,0,0|2,0,0]=4 3437 B11R1.222 CNC(=O)C1CCCCN1C 34a_100011209383_200000210301 [0,2,0,0,0,0|2,0,0]=4 3438 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 2230a_100011209383_200025704644 [0,2,0,0,0,0|2,0,0]=4 3439 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 269982a_100011209383_200025704644 [0,2,0,0,0,0|2,0,0]=4 3440 B11R1.222 CNC(=O)C1CCCCN1[13CH3] 34a_100011209383_200025704644 [0,2,0,0,0,0|2,0,0]=4 3441 B11R1.222 CNC(=O)N1CCCCC1C 2708a_100102657272_100000211376 [0,2,0,0,0,0|2,0,0]=4 3442 B11R1.222 CNC(=O)N1CCCCC1C 273464a_100102657272_100000211376 [0,2,0,0,0,0|2,0,0]=4 3443 B11R1.222 CNC(=O)[C@H]1CCCCN1C 11a_106832991635_100000767060 [0,2,0,0,0,0|2,0,0]=4 3444 B11R1.222 CNC(=O)[C@H]1CCCCN1C 1626a_100102657272_100000767060 [0,2,0,0,0,0|2,0,0]=4 3445 B11R1.222 CNC(=O)[C@H]1CCCCN1C 240690a_100102657272_100000767060 [0,2,0,0,0,0|2,0,0]=4 3446 B11R1.222 CNC(=O)[C@H]1CCCCN1C 527a_100102657272_100000767060 [0,2,0,0,0,0|2,0,0]=4 3447 B11R1.222 COC(=O)C1CCCCN1C 2230a_100000734855_200000210301 [0,2,0,0,0,0|1,0,0]=3 3448 B11R1.222 COC(=O)C1CCCCN1C 269982a_100000734855_200000210301 [0,2,0,0,0,0|1,0,0]=3 3449 B11R1.222 COC(=O)C1CCCCN1C 34a_100000734855_200000210301 [0,2,0,0,0,0|1,0,0]=3 3450 B11R1.222 COC(=O)C1CCCCN1[13CH3] 2230a_100000734855_200025704644 [0,2,0,0,0,0|1,0,0]=3 3451 B11R1.222 COC(=O)C1CCCCN1[13CH3] 269982a_100000734855_200025704644 [0,2,0,0,0,0|1,0,0]=3 3452 B11R1.222 COC(=O)C1CCCCN1[13CH3] 34a_100000734855_200025704644 [0,2,0,0,0,0|1,0,0]=3 3453 B11R1.222 COC(=O)C1COCCN1C 2230a_100000765174_200000210301 [0,2,0,0,0,0|2,0,0]=4 3454 B11R1.222 COC(=O)C1COCCN1C 34a_100000765174_200000210301 [0,2,0,0,0,0|2,0,0]=4 3455 B11R1.222 COC(=O)C1COCCN1[13CH3] 2230a_100000765174_200025704644 [0,2,0,0,0,0|2,0,0]=4 3456 B11R1.222 COC(=O)C1COCCN1[13CH3] 34a_100000765174_200025704644 [0,2,0,0,0,0|2,0,0]=4 3457 B11R1.222 C[C@H]1COCCN1C(=O)CO 240690a_100009815349_100000210174 [0,2,0,0,0,0|2,0,0]=4 3458 B11R1.222 C[C@H]1COCCN1C(=O)CO 527a_100009815349_100000210174 [0,2,0,0,0,0|2,0,0]=4 3459 B11R1.222 O=C(CF)C1CCCCC1O 1458a_100011803323_100015361967 [0,2,0,0,0,0|1,0,0]=3 3460 B11R1.222 O=C(CO)C1CCCCC1=O 1458a_100000210174_100000204591 [0,2,0,0,0,0|0,0,1]=3 3461 B11R1.222 O=C(CO)C1CCCNC1=O 1458a_100000210174_100000687798 [0,2,0,0,0,0|1,0,1]=4 3462 B11R1.222 O=C(CO)C1COCCC1=O 1458a_100000210174_100012180262 [0,2,0,0,0,0|1,0,1]=4 3463 B11R1.878 CC1(CCCCC1)C(=O)CF 1458a_100000762840_100015361967 [0,2,0,0,0,0|1,0,0]=3 3464 B11R1.878 CC1(CCOCC1)C(=O)CF 1458a_100000749465_100015361967 [0,2,0,0,0,0|2,0,0]=4 3465 B11R1.878 CCC(=O)C1(CCCCC1)C 1458a_100000762840_100000210202 [0,2,0,0,0,0|1,0,0]=3 3466 B11R1.878 CCC(=O)C1(CCCCC1)F 1458a_100000069003_100000210202 [0,2,0,0,0,0|1,0,0]=3 3467 B11R1.878 CCC(=O)C1(CCCCC1)O 1458a_100000242742_100000210202 [0,2,0,0,0,0|1,0,0]=3 3468 B11R1.878 CCC(=O)C1(CCOCC1)C 1458a_100000749465_100000210202 [0,2,0,0,0,0|2,0,0]=4 3469 B11R1.878 CCC(=O)C1(CCOCC1)F 1458a_100009845733_100000210202 [0,2,0,0,0,0|2,0,0]=4 3470 B11R1.878 CCC(=O)C1(CCOCC1)O 1458a_100000751969_100000210202 [0,2,0,0,0,0|2,0,0]=4 3471 B11R1.878 CNC(=O)C1(CCCCC1)C 11a_106832991635_100000762840 [0,2,0,0,0,0|1,0,0]=3 3472 B11R1.878 CNC(=O)C1(CCCCC1)C 1626a_100102657272_100000762840 [0,2,0,0,0,0|1,0,0]=3 3473 B11R1.878 CNC(=O)C1(CCCCC1)C 240690a_100102657272_100000762840 [0,2,0,0,0,0|1,0,0]=3 3474 B11R1.878 CNC(=O)C1(CCCCC1)C 527a_100102657272_100000762840 [0,2,0,0,0,0|1,0,0]=3 3475 B11R1.878 CNC(=O)C1(CCCCC1)F 11a_106832991635_100000069003 [0,2,0,0,0,0|1,0,0]=3 3476 B11R1.878 CNC(=O)C1(CCCCC1)F 1626a_100102657272_100000069003 [0,2,0,0,0,0|1,0,0]=3 3477 B11R1.878 CNC(=O)C1(CCCCC1)F 240690a_100102657272_100000069003 [0,2,0,0,0,0|1,0,0]=3 3478 B11R1.878 CNC(=O)C1(CCCCC1)F 527a_100102657272_100000069003 [0,2,0,0,0,0|1,0,0]=3 3479 B11R1.878 CNC(=O)C1(CCCCC1)O 240690a_100102657272_100000242742 [0,2,0,0,0,0|1,0,0]=3 3480 B11R1.878 CNC(=O)C1(CCOCC1)C 11a_106832991635_100000749465 [0,2,0,0,0,0|2,0,0]=4 3481 B11R1.878 CNC(=O)C1(CCOCC1)C 1626a_100102657272_100000749465 [0,2,0,0,0,0|2,0,0]=4 3482 B11R1.878 CNC(=O)C1(CCOCC1)C 240690a_100102657272_100000749465 [0,2,0,0,0,0|2,0,0]=4 3483 B11R1.878 CNC(=O)C1(CCOCC1)C 527a_100102657272_100000749465 [0,2,0,0,0,0|2,0,0]=4 3484 B11R1.878 CNC(=O)C1(CCOCC1)F 11a_106832991635_100009845733 [0,2,0,0,0,0|2,0,0]=4 3485 B11R1.878 CNC(=O)C1(CCOCC1)F 1626a_100102657272_100009845733 [0,2,0,0,0,0|2,0,0]=4 3486 B11R1.878 CNC(=O)C1(CCOCC1)F 240690a_100102657272_100009845733 [0,2,0,0,0,0|2,0,0]=4 3487 B11R1.878 CNC(=O)C1(CCOCC1)F 527a_100102657272_100009845733 [0,2,0,0,0,0|2,0,0]=4 3488 B11R1.878 CNC(=O)C1(CCOCC1)O 240690a_100102657272_100000751969 [0,2,0,0,0,0|2,0,0]=4 3489 B11R1.878 O=C(CF)C1(CCCCC1)F 1458a_100000069003_100015361967 [0,2,0,0,0,0|1,0,0]=3 3490 B11R1.878 O=C(CF)C1(CCCCC1)O 1458a_100000242742_100015361967 [0,2,0,0,0,0|1,0,0]=3 3491 B11R1.878 O=C(CF)C1(CCOCC1)F 1458a_100009845733_100015361967 [0,2,0,0,0,0|2,0,0]=4 3492 B11R1.878 O=C(CF)C1(CCOCC1)O 1458a_100000751969_100015361967 [0,2,0,0,0,0|2,0,0]=4 3493 B11R1.53 C#CC1CCCCN1C(=O)C 11a_200020621307_100015343762 [0,2,0,0,0,0|2,0,0]=4 3494 B11R1.53 C#CC1CCCCN1C(=O)C 1626a_200020621307_100015343762 [0,2,0,0,0,0|2,0,0]=4 3495 B11R1.53 C#CC1CCCCN1C(=O)C 240690a_200020621307_100015343762 [0,2,0,0,0,0|2,0,0]=4 3496 B11R1.53 C#CC1CCCCN1C(=O)C 527a_200020621307_100103153847 [0,2,0,0,0,0|2,0,0]=4 3497 B11R1.53 CC(=O)N1CCCCC1C#N 11a_100016989756_100015343762 [0,2,0,0,0,0|2,0,0]=4 3498 B11R1.53 CC(=O)N1CCCCC1C#N 1626a_100016989756_100015343762 [0,2,0,0,0,0|2,0,0]=4 3499 B11R1.53 CC(=O)N1CCCCC1C#N 240690a_100016989756_100015343762 [0,2,0,0,0,0|2,0,0]=4 3500 B11R1.53 CC(=O)N1CCCCC1CO 240690a_100000210821_100015343762 [0,2,0,0,0,0|2,0,0]=4 3501 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [0,2,0,0,0,0|2,0,0]=4 3502 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [0,2,0,0,0,0|2,0,0]=4 3503 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [0,2,0,0,0,0|2,0,0]=4 3504 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [0,2,0,0,0,0|2,0,0]=4 3505 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [0,2,0,0,0,0|2,0,0]=4 3506 B11R1.53 CCN1CCCCC1C(=O)N 2230a_100000181395_100000210202 [0,2,0,0,0,0|2,0,0]=4 3507 B11R1.53 CCN1CCCCC1C(=O)N 269982a_100000181395_100000204670 [0,2,0,0,0,0|2,0,0]=4 3508 B11R1.53 CCN1CCCCC1C(=O)N 34a_100000181395_100000210202 [0,2,0,0,0,0|2,0,0]=4 3509 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [0,2,0,0,0,0|2,0,0]=4 3510 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [0,2,0,0,0,0|1,0,0]=3 3511 B11R1.53 CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210202 [0,2,0,0,0,0|2,0,0]=4 3512 B11R1.53 CCN1CCSCC1C(=O)O 269956a_100011346106_100000210202 [0,2,0,0,0,0|2,0,0]=4 3513 B11R1.53 CCN1CSCCC1C(=O)O 269956a_100015185162_100000210202 [0,2,0,0,0,0|2,0,0]=4 3514 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [0,2,0,0,0,0|0,0,0]=2 3515 B11R1.53 NC(=O)C1CCCCN1CF 269982a_100000181395_100015361967 [0,2,0,0,0,0|2,0,0]=4 3516 B11R1.53 NC(=O)C1CCCCN1CF 34a_100000181395_100015361967 [0,2,0,0,0,0|2,0,0]=4 3517 B11R1.53 O=C(O)C1CCSCN1CF 269956a_100015185162_100015361967 [0,2,0,0,0,0|2,0,0]=4 3518 B11R1.53 O=C(O)C1CSCCN1CF 269956a_100011346106_100015361967 [0,2,0,0,0,0|2,0,0]=4 3519 B11R1.53 O=C(O)[C@H]1CCCCN1CF 269956a_100000763471_100015361967 [0,2,0,0,0,0|1,0,0]=3 3520 B11R1.53 O=C(O)[C@H]1COCCN1CF 269956a_100016993156_100015361967 [0,2,0,0,0,0|2,0,0]=4 3521 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [0,2,0,0,0,0|0,0,0]=2 3522 B11R1.156 CC(=O)N1C(CCCC1C)C 11a_100000210447_100015343762 [0,2,0,0,0,0|2,0,0]=4 3523 B11R1.156 CC(=O)N1C(CCCC1C)C 240690a_100000210447_100015343762 [0,2,0,0,0,0|2,0,0]=4 3524 B11R1.159 CC1CCCC(N1C)C(=O)O 269956a_100000704260_200000210301 [0,2,0,0,0,0|1,0,0]=3 3525 B11R1.159 CC1CCCC(N1[13CH3])C(=O)O 269956a_100000704260_200025704644 [0,2,0,0,0,0|1,0,0]=3 3526 B11R1.167 CN1CCN(C(C1)C(=O)O)C 269956a_100020626280_200000210301 [0,2,0,0,0,0|2,0,0]=4 3527 B11R1.167 CN1CCN(C(C1)C(=O)O)[13CH3] 269956a_100020626280_200025704644 [0,2,0,0,0,0|2,0,0]=4 3528 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)C 269956a_100009817619_200000210301 [0,2,0,0,0,0|1,0,0]=3 3529 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)[13CH3] 269956a_100009817619_200025704644 [0,2,0,0,0,0|1,0,0]=3 3530 B11R1.520 CC1(CCCCN1[13CH3])C(=O)O 269956a_100000698061_200025704644 [0,2,0,0,0,0|1,0,0]=3 3531 B11R1.520 CN1CCCCC1(C)C(=O)O 269956a_100000698061_200000210301 [0,2,0,0,0,0|1,0,0]=3 3532 B11R1.74 CC(=O)N1CC(CC(C1)C)C 11a_100000210448_100015343762 [0,2,0,0,0,0|2,0,0]=4 3533 B11R1.74 CC(=O)N1CC(CC(C1)C)C 240690a_100000210448_100015343762 [0,2,0,0,0,0|2,0,0]=4 3534 B11R1.74 CC(=O)N1CC(CC(C1)C)C 527a_100000210448_100103153847 [0,2,0,0,0,0|2,0,0]=4 3535 B11R1.266 C#CC1CCCN(C1)C(=O)C 11a_100015191679_100015343762 [0,2,0,0,0,0|2,0,0]=4 3536 B11R1.266 C#CC1CCCN(C1)C(=O)C 1626a_100015191679_100015343762 [0,2,0,0,0,0|2,0,0]=4 3537 B11R1.266 C#CC1CCCN(C1)C(=O)C 240690a_100015191679_100015343762 [0,2,0,0,0,0|2,0,0]=4 3538 B11R1.266 C#CC1CCCN(C1)C(=O)C 527a_100015191679_100103153847 [0,2,0,0,0,0|2,0,0]=4 3539 B11R1.266 CC(=O)N1CCCC(C1)C#N 11a_100016989302_100015343762 [0,2,0,0,0,0|2,0,0]=4 3540 B11R1.266 CC(=O)N1CCCC(C1)C#N 1626a_100016989302_100015343762 [0,2,0,0,0,0|2,0,0]=4 3541 B11R1.266 CC(=O)N1CCCC(C1)C#N 240690a_100016989302_100015343762 [0,2,0,0,0,0|2,0,0]=4 3542 B11R1.266 CC(=O)N1CCCC(C1)C#N 527a_100016989302_100103153847 [0,2,0,0,0,0|2,0,0]=4 3543 B11R1.266 CC(=O)N1CCCC(C1)CF 11a_100016992999_100015343762 [0,2,0,0,0,0|2,0,0]=4 3544 B11R1.266 CC(=O)N1CCCC(C1)CF 1626a_100016992999_100015343762 [0,2,0,0,0,0|2,0,0]=4 3545 B11R1.266 CC(=O)N1CCCC(C1)CF 240690a_100016992999_100015343762 [0,2,0,0,0,0|2,0,0]=4 3546 B11R1.266 CC(=O)N1CCCC(C1)CF 527a_100016992999_100103153847 [0,2,0,0,0,0|2,0,0]=4 3547 B11R1.266 CC(=O)N1CCCC(C1)CO 240690a_100000211344_100015343762 [0,2,0,0,0,0|2,0,0]=4 3548 B11R1.266 CC(=O)N1CCCC(C1)CO 527a_100000211344_100103153847 [0,2,0,0,0,0|2,0,0]=4 3549 B11R1.266 CC(=O)N1CCCC(C1)O[13CH3] 7a_200011196156_200025704644 [0,2,0,0,0,0|2,0,0]=4 3550 B11R1.266 CCN1CCCC(C1)C(=O)C 1458a_100000743261_200000210301 [0,2,0,0,0,0|2,0,0]=4 3551 B11R1.266 CCN1CCCC(C1)C(=O)N 2230a_100000195536_100000210202 [0,2,0,0,0,0|2,0,0]=4 3552 B11R1.266 CCN1CCCC(C1)C(=O)N 269982a_100000195536_100000204670 [0,2,0,0,0,0|2,0,0]=4 3553 B11R1.266 CCN1CCCC(C1)C(=O)N 34a_100000195536_100000210202 [0,2,0,0,0,0|2,0,0]=4 3554 B11R1.266 CCN1CCCC(C1)C(=O)[13CH3] 1458a_100000743261_200025704644 [0,2,0,0,0,0|2,0,0]=4 3555 B11R1.266 CNC1CCCC(C1)C(=O)N 2230a_100000749473_200000210301 [0,2,0,0,0,0|1,0,0]=3 3556 B11R1.266 CNC1CCCC(C1)C(=O)N 34a_100000749473_200000210301 [0,2,0,0,0,0|1,0,0]=3 3557 B11R1.266 CNC1CCCC(C1)C(=O)O 269956a_100011216634_200000210301 [0,2,0,0,0,0|0,0,0]=2 3558 B11R1.266 COC1CCCC(C1)C(=O)C 1458a_100011215561_200000210301 [0,2,0,0,0,0|1,0,0]=3 3559 B11R1.266 COC1CCCC(C1)C(=O)[13CH3] 1458a_100011215561_200025704644 [0,2,0,0,0,0|1,0,0]=3 3560 B11R1.266 COC1CCCN(C1)C(=O)C 11a_100000695604_100015343762 [0,2,0,0,0,0|2,0,0]=4 3561 B11R1.266 COC1CCCN(C1)C(=O)C 1626a_100000695604_100015343762 [0,2,0,0,0,0|2,0,0]=4 3562 B11R1.266 COC1CCCN(C1)C(=O)C 240690a_100000695604_100015343762 [0,2,0,0,0,0|2,0,0]=4 3563 B11R1.266 COC1CCCN(C1)C(=O)C 527a_100000695604_100103153847 [0,2,0,0,0,0|2,0,0]=4 3564 B11R1.266 COC1CCCN(C1)C(=O)C 7a_200011196156_200000210301 [0,2,0,0,0,0|2,0,0]=4 3565 B11R1.266 NC(=O)C1CCCN(C1)CF 269982a_100000195536_100015361967 [0,2,0,0,0,0|2,0,0]=4 3566 B11R1.266 NC(=O)C1CCCN(C1)CF 34a_100000195536_100015361967 [0,2,0,0,0,0|2,0,0]=4 3567 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 2230a_100000749473_200025704644 [0,2,0,0,0,0|1,0,0]=3 3568 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 34a_100000749473_200025704644 [0,2,0,0,0,0|1,0,0]=3 3569 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)O 269956a_100011216634_200025704644 [0,2,0,0,0,0|0,0,0]=2 3570 B11R1.730 CC(=O)C1CCOC(C1)(C)C 1458a_100000070787_100010191092 [0,2,0,0,0,0|2,0,0]=4 3571 B11R1.730 CC(=O)N1CCCC(C1)(C)C 11a_100000716857_100015343762 [0,2,0,0,0,0|2,0,0]=4 3572 B11R1.730 CC(=O)N1CCCC(C1)(C)C 1626a_100000716857_100015343762 [0,2,0,0,0,0|2,0,0]=4 3573 B11R1.730 CC(=O)N1CCCC(C1)(C)C 240690a_100000716857_100015343762 [0,2,0,0,0,0|2,0,0]=4 3574 B11R1.730 CC(=O)N1CCCC(C1)(C)C 527a_100000716857_100103153847 [0,2,0,0,0,0|2,0,0]=4 3575 B11R1.730 CC(=O)N1CCCC(C1)(C)O 11a_100000695535_100015343762 [0,2,0,0,0,0|2,0,0]=4 3576 B11R1.730 CC(=O)N1CCCC(C1)(C)O 240690a_100000695535_100015343762 [0,2,0,0,0,0|2,0,0]=4 3577 B11R1.730 CC(=O)N1CCCC(C1)(C)O 527a_100000695535_100103153847 [0,2,0,0,0,0|2,0,0]=4 3578 B11R1.730 CC(=O)N1CCCC(C1)(F)F 11a_100000732682_100015343762 [0,2,0,0,0,0|2,0,0]=4 3579 B11R1.730 CC(=O)N1CCCC(C1)(F)F 1626a_100000732682_100015343762 [0,2,0,0,0,0|2,0,0]=4 3580 B11R1.730 CC(=O)N1CCCC(C1)(F)F 240690a_100000732682_100015343762 [0,2,0,0,0,0|2,0,0]=4 3581 B11R1.730 CC(=O)N1CCCC(C1)(F)F 527a_100000732682_100103153847 [0,2,0,0,0,0|2,0,0]=4 3582 B11R1.730 CC(=O)[C@@H]1CCCS(=O)(=O)C1 1458a_200009923180_200000210301 [0,2,0,0,0,0|2,0,0]=4 3583 B11R1.730 [13CH3]C(=O)[C@@H]1CCCS(=O)(=O)C1 1458a_200009923180_200025704644 [0,2,0,0,0,0|2,0,0]=4 3584 B11R1.1074 CC(=O)C1(CCCCC1)C#N 1458a_100000745063_200000210301 [0,2,0,0,0,0|1,0,0]=3 3585 B11R1.1074 CC(=O)C1(CCOCC1)C#N 1458a_100000754344_200000210301 [0,2,0,0,0,0|2,0,0]=4 3586 B11R1.1074 CC(=O)C1(CCOCC1)CO 1458a_100012175746_200000210301 [0,2,0,0,0,0|2,0,0]=4 3587 B11R1.1074 CNC1(CCCCC1)C(=O)N 2230a_100000746659_200000210301 [0,2,0,0,0,0|1,0,0]=3 3588 B11R1.1074 CNC1(CCCCC1)C(=O)N 34a_100000746659_200000210301 [0,2,0,0,0,0|1,0,0]=3 3589 B11R1.1074 CNC1(CCCCC1)C(=O)O 269956a_100000185090_200000210301 [0,2,0,0,0,0|0,0,0]=2 3590 B11R1.1074 CNC1(CCOCC1)C(=O)O 269956a_100015194771_200000210301 [0,2,0,0,0,0|1,0,0]=3 3591 B11R1.1074 [13CH3]C(=O)C1(CCCCC1)C#N 1458a_100000745063_200025704644 [0,2,0,0,0,0|1,0,0]=3 3592 B11R1.1074 [13CH3]C(=O)C1(CCOCC1)C#N 1458a_100000754344_200025704644 [0,2,0,0,0,0|2,0,0]=4 3593 B11R1.1074 [13CH3]C(=O)C1(CCOCC1)CO 1458a_100012175746_200025704644 [0,2,0,0,0,0|2,0,0]=4 3594 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)N 2230a_100000746659_200025704644 [0,2,0,0,0,0|1,0,0]=3 3595 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)N 34a_100000746659_200025704644 [0,2,0,0,0,0|1,0,0]=3 3596 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)O 269956a_100000185090_200025704644 [0,2,0,0,0,0|0,0,0]=2 3597 B11R1.1074 [13CH3]NC1(CCOCC1)C(=O)O 269956a_100015194771_200025704644 [0,2,0,0,0,0|1,0,0]=3 3598 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,0,1,1,0,0|2,0,0]=4 3599 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,0,1,1,0,0|2,0,0]=4 3600 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,0,1,1,0,0|2,0,0]=4 3601 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [0,0,1,1,0,0|2,0,0]=4 3602 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [0,0,1,1,0,0|2,0,0]=4 3603 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [0,0,1,1,0,0|2,0,0]=4 3604 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,0,1,1,0,0|2,0,0]=4 3605 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [0,0,1,1,0,0|2,0,0]=4 3606 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [0,0,1,1,0,0|2,0,0]=4 3607 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [0,0,1,1,0,0|2,0,0]=4 3608 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [0,0,1,1,0,0|2,0,0]=4 3609 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,0,1,1,0,0|2,0,0]=4 3610 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,0,1,1,0,0|2,0,0]=4 3611 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,0,1,1,0,0|2,0,0]=4 3612 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,0,1,1,0,0|2,0,0]=4 3613 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,0,1,1,0,0|2,0,0]=4 3614 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,0,1,1,0,0|2,0,0]=4 3615 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,0,1,1,0,0|2,0,0]=4 3616 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,0,1,1,0,0|2,0,0]=4 3617 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [0,0,1,1,0,0|2,0,0]=4 3618 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [0,0,1,1,0,0|2,0,0]=4 3619 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [0,0,1,1,0,0|2,0,0]=4 3620 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [0,0,1,1,0,0|2,0,0]=4 3621 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,0,1,1,0,0|2,0,0]=4 3622 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,0,1,1,0,0|2,0,0]=4 3623 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,0,1,1,0,0|2,0,0]=4 3624 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,0,1,1,0,0|2,0,0]=4 3625 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,0,1,1,0,0|2,0,0]=4 3626 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,0,1,1,0,0|2,0,0]=4 3627 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [0,0,1,1,0,0|2,0,0]=4 3628 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [0,0,1,1,0,0|2,0,0]=4 3629 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [0,0,1,1,0,0|2,0,0]=4 3630 B9R1.9 CCNCC1CC(=O)C1 2230a_100015525214_100009874392 [0,0,1,1,0,0|2,0,0]=4 3631 B9R1.9 CCOCC1CC(=O)C1 34a_100000101936_100000210202 [0,0,1,1,0,0|2,0,0]=4 3632 B9R1.9 CCSCC1CC(=O)C1 62a_100000210202_100009874392 [0,0,1,1,0,0|2,0,0]=4 3633 B9R1.9 CCSCC1CC(=O)C1 62a_100009874392_100000210202 [0,0,1,1,0,0|2,0,0]=4 3634 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,0,1,1,0,0|1,0,0]=3 3635 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,0,1,1,0,0|1,0,0]=3 3636 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,1,1,0,0|2,0,0]=4 3637 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [0,0,1,1,0,0|2,0,0]=4 3638 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [0,0,1,1,0,0|2,0,0]=4 3639 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,0,1,1,0,0|2,0,0]=4 3640 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,0,1,1,0,0|2,0,0]=4 3641 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,0,1,1,0,0|2,0,0]=4 3642 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,0,1,1,0,0|2,0,0]=4 3643 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,0,1,1,0,0|2,0,0]=4 3644 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [0,0,1,1,0,0|2,0,0]=4 3645 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [0,0,1,1,0,0|2,0,0]=4 3646 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [0,0,1,1,0,0|1,0,1]=4 3647 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,0,1,1,0,0|1,0,0]=3 3648 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [0,0,1,1,0,0|2,0,0]=4 3649 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,0,1,1,0,0|2,0,0]=4 3650 B9R1.67 CC1CCN1CC(=O)N 269982a_100000755817_100000187820 [0,0,1,1,0,0|2,0,0]=4 3651 B9R1.67 CC1CCN1CC(=O)N 34a_100000755817_100000187820 [0,0,1,1,0,0|2,0,0]=4 3652 B9R1.67 CC1CCN1CC(=O)[O-] 269982a_100000755817_100020667443 [0,0,1,1,0,0|1,0,1]=4 3653 B9R1.67 CC1CCN1CC(=O)[O-] 34a_100000755817_100020667443 [0,0,1,1,0,0|1,0,1]=4 3654 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [0,0,1,1,0,0|2,0,0]=4 3655 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [0,0,1,1,0,0|2,0,0]=4 3656 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [0,0,1,1,0,0|2,0,0]=4 3657 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [0,0,1,1,0,0|2,0,0]=4 3658 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [0,0,1,1,0,0|2,0,0]=4 3659 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [0,0,1,1,0,0|2,0,0]=4 3660 B9R1.84 NC(=O)CCN1CCC1 269982a_100000754969_100000744528 [0,0,1,1,0,0|2,0,0]=4 3661 B9R1.84 NC(=O)CNC1CCC1 2230a_100000749019_100000747473 [0,0,1,1,0,0|2,0,0]=4 3662 B9R1.84 NC(=O)CNC1CCC1 34a_100000749019_100000187820 [0,0,1,1,0,0|2,0,0]=4 3663 B9R1.84 NC(=O)COC1CCC1 34a_100000748187_100000187820 [0,0,1,1,0,0|2,0,0]=4 3664 B9R1.84 NC(=O)CSC1CCC1 62a_100000747473_100000749161 [0,0,1,1,0,0|2,0,0]=4 3665 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [0,0,1,1,0,0|1,0,0]=3 3666 B9R1.84 O=C(O)CNC1COC1 269956a_100016091260_100009818527 [0,0,1,1,0,0|2,0,0]=4 3667 B9R1.84 O=C([O-])CNC1CCC1 34a_100000749019_100020667443 [0,0,1,1,0,0|1,0,1]=4 3668 B9R1.84 O=C([O-])COC1CCC1 34a_100000748187_100020667443 [0,0,1,1,0,0|1,0,1]=4 3669 B9R1.84 O=C([O-])CSC1CCC1 62a_100020667443_100000749161 [0,0,1,1,0,0|1,0,1]=4 3670 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [0,0,1,1,0,0|2,0,0]=4 3671 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [0,0,1,1,0,0|2,0,0]=4 3672 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [0,0,1,1,0,0|2,0,0]=4 3673 B9R1.85 CC(=O)COCC1CC1 34a_100000211253_100000742324 [0,0,1,1,0,0|2,0,0]=4 3674 B9R1.85 CC(=O)CSCC1CC1 1458a_200011316215_200000210301 [0,0,1,1,0,0|2,0,0]=4 3675 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [0,0,1,1,0,0|2,0,0]=4 3676 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [0,0,1,1,0,0|2,0,0]=4 3677 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [0,0,1,1,0,0|2,0,0]=4 3678 B9R1.85 NC(=O)CCNC1CC1 34a_100000212008_100000731001 [0,0,1,1,0,0|2,0,0]=4 3679 B9R1.85 NC(=O)CCOC1CC1 34a_100000757172_100000211595 [0,0,1,1,0,0|2,0,0]=4 3680 B9R1.85 NC(=O)CCSC1CC1 62a_100000744528_100000211595 [0,0,1,1,0,0|2,0,0]=4 3681 B9R1.85 NC(=O)CNCC1CC1 2230a_100000711301_100000742324 [0,0,1,1,0,0|2,0,0]=4 3682 B9R1.85 NC(=O)CNCC1CC1 2230a_100000735609_100000747473 [0,0,1,1,0,0|2,0,0]=4 3683 B9R1.85 NC(=O)CNCC1CC1 34a_100000735609_100000187820 [0,0,1,1,0,0|2,0,0]=4 3684 B9R1.85 NC(=O)COCC1CC1 34a_100000211283_100000187820 [0,0,1,1,0,0|2,0,0]=4 3685 B9R1.85 NC(=O)CSCC1CC1 62a_100000747473_100000742324 [0,0,1,1,0,0|2,0,0]=4 3686 B9R1.85 NC(=O)CSCC1CC1 62a_100000756562_100000747473 [0,0,1,1,0,0|2,0,0]=4 3687 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [0,0,1,1,0,0|1,0,0]=3 3688 B9R1.85 O=C(O)CNCC1CO1 269956a_100016091260_102125554688 [0,0,1,1,0,0|2,0,0]=4 3689 B9R1.85 O=C(O)CNCC1CS1 269956a_100016091260_100000031435 [0,0,1,1,0,0|2,0,0]=4 3690 B9R1.85 O=C(O)CNC[C@@H]1CO1 269956a_100016091260_100000745022 [0,0,1,1,0,0|2,0,0]=4 3691 B9R1.85 O=C(O)CONC1CC1 269956a_100000106656_100000211595 [0,0,1,1,0,0|2,0,0]=4 3692 B9R1.85 O=C([O-])CNCC1CC1 34a_100000735609_100020667443 [0,0,1,1,0,0|1,0,1]=4 3693 B9R1.85 O=C([O-])COCC1CC1 34a_100000211283_100020667443 [0,0,1,1,0,0|1,0,1]=4 3694 B9R1.85 O=C([O-])CSCC1CC1 62a_100000756562_100020667443 [0,0,1,1,0,0|1,0,1]=4 3695 B9R1.85 O=C([O-])CSCC1CC1 62a_100020667443_100000742324 [0,0,1,1,0,0|1,0,1]=4 3696 B9R1.85 [13CH3]C(=O)CSCC1CC1 1458a_200011316215_200025704644 [0,0,1,1,0,0|2,0,0]=4 3697 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,0,1,1,0,0|1,0,0]=3 3698 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [0,0,1,1,0,0|2,0,0]=4 3699 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,0,1,1,0,0|2,0,0]=4 3700 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,0,1,1,0,0|2,0,0]=4 3701 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,0,1,1,0,0|2,0,0]=4 3702 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,0,1,1,0,0|2,0,0]=4 3703 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,0,1,1,0,0|2,0,0]=4 3704 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,0,1,1,0,0|2,0,0]=4 3705 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,0,1,1,0,0|2,0,0]=4 3706 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,0,1,1,0,0|2,0,0]=4 3707 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,0,1,1,0,0|2,0,0]=4 3708 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [0,0,1,1,0,0|2,0,0]=4 3709 B9R1.95 CCC1CN(C1)C(=O)C 11a_100015205115_100015343762 [0,0,1,1,0,0|2,0,0]=4 3710 B9R1.95 CCC1CN(C1)C(=O)C 1626a_100015205115_100015343762 [0,0,1,1,0,0|2,0,0]=4 3711 B9R1.95 CCC1CN(C1)C(=O)C 240690a_100015205115_100015343762 [0,0,1,1,0,0|2,0,0]=4 3712 B9R1.95 CCC1CN(C1)C(=O)C 527a_100015205115_100103153847 [0,0,1,1,0,0|2,0,0]=4 3713 B9R1.95 CCN1CC(C1)C(=O)N 34a_100025753142_100000210202 [0,0,1,1,0,0|2,0,0]=4 3714 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,0,1,1,0,0|1,0,0]=3 3715 B9R1.95 COC1CC(C1)C(=O)C 1458a_100011999411_200000210301 [0,0,1,1,0,0|2,0,0]=4 3716 B9R1.95 COC1CC(C1)C(=O)[13CH3] 1458a_100011999411_200025704644 [0,0,1,1,0,0|2,0,0]=4 3717 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [0,0,1,1,0,0|2,0,0]=4 3718 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,0,1,1,0,0|1,0,0]=3 3719 B9R1.110 CC(=O)C(C)N1CCC1 269982a_100000754969_100009814033 [0,0,1,1,0,0|2,0,0]=4 3720 B9R1.110 CC(=O)N(C)C1CCC1 11a_100000758072_100015343762 [0,0,1,1,0,0|2,0,0]=4 3721 B9R1.110 CC(=O)N(C)C1CCC1 1626a_100000758072_100015343762 [0,0,1,1,0,0|2,0,0]=4 3722 B9R1.110 CC(=O)N(C)C1CCC1 240690a_100000758072_100015343762 [0,0,1,1,0,0|2,0,0]=4 3723 B9R1.110 CC(=O)N(C)C1CCC1 527a_100000758072_100103153847 [0,0,1,1,0,0|2,0,0]=4 3724 B9R1.110 CC(C(=O)N)N1CCC1 269982a_100000754969_100000184083 [0,0,1,1,0,0|2,0,0]=4 3725 B9R1.112 CC(=O)C(C)OC1CC1 34a_100000212229_100000211595 [0,0,1,1,0,0|2,0,0]=4 3726 B9R1.112 CC(=O)C(C)SC1CC1 62a_100009814033_100000211595 [0,0,1,1,0,0|2,0,0]=4 3727 B9R1.112 CC(=O)N(C)CC1CC1 11a_100000741881_100015343762 [0,0,1,1,0,0|2,0,0]=4 3728 B9R1.112 CC(=O)N(C)CC1CC1 1626a_100000741881_100015343762 [0,0,1,1,0,0|2,0,0]=4 3729 B9R1.112 CC(=O)N(C)CC1CC1 240690a_100000741881_100015343762 [0,0,1,1,0,0|2,0,0]=4 3730 B9R1.112 CC(=O)N(C)CC1CC1 527a_100000741881_100103153847 [0,0,1,1,0,0|2,0,0]=4 3731 B9R1.112 CC(NC1CC1)C(=O)N 34a_100000212008_100000702099 [0,0,1,1,0,0|2,0,0]=4 3732 B9R1.112 CC(SC1CC1)C(=O)N 62a_100000702099_100000211595 [0,0,1,1,0,0|2,0,0]=4 3733 B9R1.112 C[C@@H](NC1CC1)C(=O)N 34a_100000119354_100000211595 [0,0,1,1,0,0|2,0,0]=4 3734 B9R1.112 C[C@@H](OC1CC1)C(=O)N 34a_100000731257_100000211595 [0,0,1,1,0,0|2,0,0]=4 3735 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,0,1,1,0,0|1,0,0]=3 3736 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [0,0,1,1,0,0|1,0,0]=3 3737 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [0,0,1,1,0,0|1,0,0]=3 3738 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [0,0,1,1,0,0|1,0,0]=3 3739 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [0,0,1,1,0,0|1,0,0]=3 3740 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [0,0,1,1,0,0|1,0,0]=3 3741 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [0,0,1,1,0,0|1,0,0]=3 3742 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [0,0,1,1,0,0|1,0,0]=3 3743 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [0,0,1,1,0,0|1,0,0]=3 3744 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [0,0,1,1,0,0|2,0,0]=4 3745 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [0,0,1,1,0,0|2,0,0]=4 3746 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [0,0,1,1,0,0|2,0,0]=4 3747 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [0,0,1,1,0,0|1,0,0]=3 3748 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [0,0,1,1,0,0|2,0,0]=4 3749 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [0,0,1,1,0,0|2,0,0]=4 3750 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [0,0,1,1,0,0|1,0,0]=3 3751 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [0,0,1,1,0,0|2,0,0]=4 3752 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [0,0,1,1,0,0|2,0,0]=4 3753 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [0,0,1,1,0,0|2,0,0]=4 3754 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [0,0,1,1,0,0|1,0,0]=3 3755 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [0,0,1,1,0,0|1,0,0]=3 3756 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [0,0,1,1,0,0|2,0,0]=4 3757 B9R1.33 O=C1OCCC1SCF 62a_100000211211_100015361967 [0,0,1,1,0,0|2,0,0]=4 3758 B9R1.33 O=C1OCCC1SCF 62a_100015361967_100000211211 [0,0,1,1,0,0|2,0,0]=4 3759 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [0,0,1,1,0,0|2,0,0]=4 3760 B9R1.116 CCN(C(=O)C)C1CC1 11a_100000738653_100015343762 [0,0,1,1,0,0|2,0,0]=4 3761 B9R1.116 CCN(C(=O)C)C1CC1 1626a_100000738653_100015343762 [0,0,1,1,0,0|2,0,0]=4 3762 B9R1.116 CCN(C(=O)C)C1CC1 240690a_100000738653_100015343762 [0,0,1,1,0,0|2,0,0]=4 3763 B9R1.116 CCN(C(=O)C)C1CC1 527a_100000738653_100103153847 [0,0,1,1,0,0|2,0,0]=4 3764 B9R1.119 CCC1(CCC1)C(=O)C 1458a_100000685558_200000210301 [0,0,1,1,0,0|1,0,0]=3 3765 B9R1.119 CCC1(CCC1)C(=O)[13CH3] 1458a_100000685558_200025704644 [0,0,1,1,0,0|1,0,0]=3 3766 B9R1.119 CCC1(COC1)C(=O)C 1458a_100000139254_200000210301 [0,0,1,1,0,0|2,0,0]=4 3767 B9R1.119 CCC1(COC1)C(=O)[13CH3] 1458a_100000139254_200025704644 [0,0,1,1,0,0|2,0,0]=4 3768 B9R1.119 CNC1(CCC1)C(=O)O 269956a_100000688724_200000210301 [0,0,1,1,0,0|1,0,0]=3 3769 B9R1.119 [13CH3]NC1(CCC1)C(=O)O 269956a_100000688724_200025704644 [0,0,1,1,0,0|1,0,0]=3 3770 B9R1.179 CCNC1(CC1)C(=O)N 2230a_100000687655_100000210202 [0,0,1,1,0,0|2,0,0]=4 3771 B9R1.179 CCNC1(CC1)C(=O)O 269956a_100000746478_100000210202 [0,0,1,1,0,0|1,0,0]=3 3772 B9R1.179 CCOC1(CC1)C(=O)C 1458a_100011094191_200000210301 [0,0,1,1,0,0|2,0,0]=4 3773 B9R1.179 CCOC1(CC1)C(=O)N 34a_100121572206_100010760883 [0,0,1,1,0,0|2,0,0]=4 3774 B9R1.179 CCOC1(CC1)C(=O)[13CH3] 1458a_100011094191_200025704644 [0,0,1,1,0,0|2,0,0]=4 3775 B9R1.179 CCSC1(CC1)C(=O)C 62a_100000086384_100000210202 [0,0,1,1,0,0|2,0,0]=4 3776 B9R1.179 CCSC1(CC1)C(=O)C 62a_100000210202_100000086384 [0,0,1,1,0,0|2,0,0]=4 3777 B9R1.179 CCSC1(CC1)C(=O)N 62a_100000210202_100010760883 [0,0,1,1,0,0|2,0,0]=4 3778 B9R1.179 CCSC1(CC1)C(=O)N 62a_100010760883_100000210202 [0,0,1,1,0,0|2,0,0]=4 3779 B9R1.179 CNCC1(CC1)C(=O)O 269956a_100000703410_200000210301 [0,0,1,1,0,0|1,0,0]=3 3780 B9R1.179 COCC1(CC1)C(=O)N 34a_100000117830_200000210301 [0,0,1,1,0,0|2,0,0]=4 3781 B9R1.179 COCC1(CC1)C(=O)N 7a_100000117830_200000210301 [0,0,1,1,0,0|2,0,0]=4 3782 B9R1.179 O=C(O)C1(CC1)NCF 269956a_100000746478_100015361967 [0,0,1,1,0,0|2,0,0]=4 3783 B9R1.179 [13CH3]NCC1(CC1)C(=O)O 269956a_100000703410_200025704644 [0,0,1,1,0,0|1,0,0]=3 3784 B9R1.179 [13CH3]OCC1(CC1)C(=O)N 34a_100000117830_200025704644 [0,0,1,1,0,0|2,0,0]=4 3785 B9R1.179 [13CH3]OCC1(CC1)C(=O)N 7a_100000117830_200025704644 [0,0,1,1,0,0|2,0,0]=4 3786 B9R2.24 CN1C2CCC1CC2 2230a_100000735658_200000210301 [1,0,0,1,0,0|2,0,0]=4 3787 B9R2.24 CN1C2CCC1CC2 269982a_100000735658_200000210301 [1,0,0,1,0,0|2,0,0]=4 3788 B9R2.24 CN1C2CCC1CC2 34a_100000735658_200000210301 [1,0,0,1,0,0|2,0,0]=4 3789 B9R2.24 [13CH3]N1C2CCC1CC2 2230a_100000735658_200025704644 [1,0,0,1,0,0|2,0,0]=4 3790 B9R2.24 [13CH3]N1C2CCC1CC2 269982a_100000735658_200025704644 [1,0,0,1,0,0|2,0,0]=4 3791 B9R2.24 [13CH3]N1C2CCC1CC2 34a_100000735658_200025704644 [1,0,0,1,0,0|2,0,0]=4 3792 B9R2.47 CNC1CC2CC2C1 270004a_106832991635_100010340937 [1,0,0,1,0,0|2,0,0]=4 3793 B9R2.70 CNC1CCC2C1C2 269862a_106832991636_100000692480 [1,0,0,1,0,0|2,0,0]=4 3794 B9R2.70 CNC1CCC2C1C2 270004a_106832991635_100000692480 [1,0,0,1,0,0|2,0,0]=4 3795 B9R2.70 COC1CCC2C1C2 34a_200012295571_200000210301 [1,0,0,1,0,0|2,0,0]=4 3796 B9R2.70 [13CH3]OC1CCC2C1C2 34a_200012295571_200025704644 [1,0,0,1,0,0|2,0,0]=4 3797 B11R2.824 CC(=O)N1C2CCC1CC2 11a_100000735658_100015343762 [0,0,0,1,0,1|1,0,0]=3 3798 B11R2.824 CC(=O)N1C2CCC1CC2 1626a_100000735658_100015343762 [0,0,0,1,0,1|1,0,0]=3 3799 B11R2.824 CC(=O)N1C2CCC1CC2 240690a_100000735658_100015343762 [0,0,0,1,0,1|1,0,0]=3 3800 B11R2.824 CC(=O)N1C2CCC1CC2 527a_100000735658_100103153847 [0,0,0,1,0,1|1,0,0]=3 3801 B11R2.860 CC(=O)NC1C2C1COC2 11a_100000702821_100015343762 [0,0,0,1,0,1|2,0,0]=4 3802 B11R2.860 CC(=O)NC1C2C1COC2 240690a_100000702821_100015343762 [0,0,0,1,0,1|2,0,0]=4 3803 B11R2.860 CC(=O)NC1C2C1COC2 527a_100000702821_100103153847 [0,0,0,1,0,1|2,0,0]=4 3804 B11R2.934 NC(=O)CN1CC2CC2C1 2230a_100000741873_100000747473 [0,0,0,1,0,1|2,0,0]=4 3805 B11R2.934 NC(=O)CN1CC2CC2C1 269982a_100000741873_100000187820 [0,0,0,1,0,1|2,0,0]=4 3806 B11R2.934 NC(=O)CN1CC2CC2C1 34a_100000741873_100000187820 [0,0,0,1,0,1|2,0,0]=4 3807 B11R2.934 O=C([O-])CN1CC2CC2C1 269982a_100000741873_100020667443 [0,0,0,1,0,1|1,0,1]=4 3808 B11R2.934 O=C([O-])CN1CC2CC2C1 34a_100000741873_100020667443 [0,0,0,1,0,1|1,0,1]=4 3809 B11R2.1852 CC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200000210301 [0,0,0,1,0,1|1,0,0]=3 3810 B11R2.1852 [13CH3]C(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200025704644 [0,0,0,1,0,1|1,0,0]=3 3811 B11R2.700 CN1C[C@@H]2[C@H](C1)[C@H]2C(=O)N 2230a_100121570788_200000210301 [0,1,0,1,0,0|2,0,0]=4 3812 B11R2.700 CN1C[C@@H]2[C@H](C1)[C@H]2C(=O)N 269982a_100121570788_200000210301 [0,1,0,1,0,0|2,0,0]=4 3813 B11R2.700 CN1C[C@@H]2[C@H](C1)[C@H]2C(=O)N 34a_100121570788_200000210301 [0,1,0,1,0,0|2,0,0]=4 3814 B11R2.700 [13CH3]N1C[C@@H]2[C@H](C1)[C@H]2C(=O)N 2230a_100121570788_200025704644 [0,1,0,1,0,0|2,0,0]=4 3815 B11R2.700 [13CH3]N1C[C@@H]2[C@H](C1)[C@H]2C(=O)N 269982a_100121570788_200025704644 [0,1,0,1,0,0|2,0,0]=4 3816 B11R2.700 [13CH3]N1C[C@@H]2[C@H](C1)[C@H]2C(=O)N 34a_100121570788_200025704644 [0,1,0,1,0,0|2,0,0]=4 3817 B11R2.905 CCC(=O)C1C2C1COC2 1458a_100000138910_100000210202 [0,1,0,1,0,0|2,0,0]=4 3818 B11R2.905 CNC(=O)C1C2C1COC2 11a_106832991635_100000138910 [0,1,0,1,0,0|2,0,0]=4 3819 B11R2.905 CNC(=O)C1C2C1COC2 1626a_100102657272_100000138910 [0,1,0,1,0,0|2,0,0]=4 3820 B11R2.905 CNC(=O)C1C2C1COC2 240690a_100102657272_100000138910 [0,1,0,1,0,0|2,0,0]=4 3821 B11R2.905 CNC(=O)C1C2C1COC2 527a_100102657272_100000138910 [0,1,0,1,0,0|2,0,0]=4 3822 B11R2.905 O=C(CF)C1C2C1COC2 1458a_100000138910_100015361967 [0,1,0,1,0,0|2,0,0]=4 3823 B11R2.914 C=CC(=O)N1CC2CC2C1 1626a_100000741873_100000185746 [0,1,0,1,0,0|2,0,0]=4 3824 B11R2.914 C=CC(=O)N1CC2CC2C1 240690a_100000741873_200121576911 [0,1,0,1,0,0|2,0,0]=4 3825 B11R2.914 CCC(=O)N1CC2CC2C1 11a_100000741873_100000210414 [0,1,0,1,0,0|2,0,0]=4 3826 B11R2.914 CCC(=O)N1CC2CC2C1 1626a_100000741873_100000210414 [0,1,0,1,0,0|2,0,0]=4 3827 B11R2.914 CCC(=O)N1CC2CC2C1 240690a_100000741873_100000210414 [0,1,0,1,0,0|2,0,0]=4 3828 B11R2.914 CCC(=O)N1CC2CC2C1 527a_100000741873_100000210414 [0,1,0,1,0,0|2,0,0]=4 3829 B11R2.914 CNC(=O)N1CC2CC2C1 2708a_100102657272_100000741873 [0,1,0,1,0,0|2,0,0]=4 3830 B11R2.914 CNC(=O)N1CC2CC2C1 273464a_100102657272_100000741873 [0,1,0,1,0,0|2,0,0]=4 3831 B11R2.914 O=C(CO)N1CC2CC2C1 240690a_100000741873_100000210174 [0,1,0,1,0,0|1,0,0]=3 3832 B11R2.914 O=C(CO)N1CC2CC2C1 527a_100000741873_100000210174 [0,1,0,1,0,0|1,0,0]=3 3833 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000070787_100000727232 [0,1,0,1,0,0|1,0,0]=3 3834 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000181847_200000210301 [0,1,0,1,0,0|1,0,0]=3 3835 B11R2.845 CC(=O)N1CC2CCC1C2 11a_100000743476_100015343762 [0,1,0,1,0,0|2,0,0]=4 3836 B11R2.845 CC(=O)N1CC2CCC1C2 1626a_100000743476_100015343762 [0,1,0,1,0,0|2,0,0]=4 3837 B11R2.845 CC(=O)N1CC2CCC1C2 240690a_100000743476_100015343762 [0,1,0,1,0,0|2,0,0]=4 3838 B11R2.845 CC(=O)N1CC2CCC1C2 527a_100000743476_100103153847 [0,1,0,1,0,0|2,0,0]=4 3839 B11R2.845 [13CH3]C(=O)C1CC2CCC1C2 1458a_100000181847_200025704644 [0,1,0,1,0,0|1,0,0]=3 3840 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [1,0,0,0,1,0|2,0,0]=4 3841 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [1,0,0,0,1,0|2,0,0]=4 3842 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [1,0,0,0,1,0|2,0,0]=4 3843 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [1,0,0,0,1,0|2,0,0]=4 3844 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [1,0,0,0,1,0|2,0,0]=4 3845 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [1,0,0,0,1,0|2,0,0]=4 3846 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [1,0,0,0,1,0|2,0,0]=4 3847 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [1,0,0,0,1,0|2,0,0]=4 3848 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [1,0,0,0,1,0|2,0,0]=4 3849 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [1,0,0,0,1,0|2,0,0]=4 3850 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [1,0,0,0,1,0|2,0,0]=4 3851 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [1,0,0,0,1,0|2,0,0]=4 3852 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [1,0,0,0,1,0|2,0,0]=4 3853 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [1,0,0,0,1,0|2,0,0]=4 3854 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [1,0,0,0,1,0|2,0,0]=4 3855 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [1,0,0,0,1,0|2,0,0]=4 3856 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [1,0,0,0,1,0|2,0,0]=4 3857 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,0,0,2,0|1,0,0]=3 3858 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,0,0,2,0|1,0,0]=3 3859 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,0,0,0,2,0|2,0,0]=4 3860 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,0,0,0,2,0|2,0,0]=4 3861 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,0,0,0,2,0|2,0,0]=4 3862 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,0,0,0,2,0|2,0,0]=4 3863 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,0,0,0,2,0|2,0,0]=4 3864 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,0,0,0,2,0|2,0,0]=4 3865 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,0,0,2,0|1,0,0]=3 3866 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,0,0,0,2,0|2,0,0]=4 3867 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,0,0,0,2,0|2,0,0]=4 3868 B9R0.14 CCC(COC)NC(=O)C 11a_100000757820_100015343762 [0,0,1,0,0,1|2,0,0]=4 3869 B9R0.14 CCC(COC)NC(=O)C 1626a_100000757820_100015343762 [0,0,1,0,0,1|2,0,0]=4 3870 B9R0.14 CCC(COC)NC(=O)C 240690a_100000757820_100015343762 [0,0,1,0,0,1|2,0,0]=4 3871 B9R0.14 CCC(COC)NC(=O)C 527a_100000757820_100103153847 [0,0,1,0,0,1|2,0,0]=4 3872 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [0,0,1,0,0,1|1,0,0]=3 3873 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [0,0,1,0,0,1|1,0,0]=3 3874 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [0,0,1,0,0,1|1,0,0]=3 3875 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [0,0,1,0,0,1|1,0,0]=3 3876 B9R0.14 CCCN(CC)CC(=O)N 2230a_100000226822_100000747473 [0,0,1,0,0,1|2,0,0]=4 3877 B9R0.14 CCCN(CC)CC(=O)N 269982a_100000226822_100000187820 [0,0,1,0,0,1|2,0,0]=4 3878 B9R0.14 CCCN(CC)CC(=O)O 269956a_100000746405_100000210207 [0,0,1,0,0,1|1,0,0]=3 3879 B9R0.14 CCCN(CC)CC(=O)[O-] 269982a_100000226822_100020667443 [0,0,1,0,0,1|1,0,1]=4 3880 B9R0.14 CCC[C@@H](CO)NC(=O)C 240690a_100000732646_100015343762 [0,0,1,0,0,1|2,0,0]=4 3881 B9R0.14 CCC[C@@H](CO)NC(=O)C 527a_100000732646_100103153847 [0,0,1,0,0,1|2,0,0]=4 3882 B9R0.14 CCN(CCF)CC(=O)O 269956a_100000746405_100011217306 [0,0,1,0,0,1|2,0,0]=4 3883 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000746405_100000211926 [0,0,1,0,0,1|2,0,0]=4 3884 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000747938_100000210202 [0,0,1,0,0,1|2,0,0]=4 3885 B9R0.14 CCN(COC)CC(=O)O 269956a_100000746405_100000766300 [0,0,1,0,0,1|2,0,0]=4 3886 B9R0.14 CCN(CSC)CC(=O)O 269956a_100000746405_100011218213 [0,0,1,0,0,1|2,0,0]=4 3887 B9R0.14 CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210202 [0,0,1,0,0,1|1,0,0]=3 3888 B9R0.14 CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210202 [0,0,1,0,0,1|2,0,0]=4 3889 B9R0.14 CC[C@H](CC(=O)O)NCF 269956a_100016995926_100015361967 [0,0,1,0,0,1|2,0,0]=4 3890 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [1,0,0,0,0,1|2,0,0]=4 3891 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [1,0,0,0,0,1|2,0,0]=4 3892 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [1,0,0,0,0,1|2,0,0]=4 3893 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [1,0,0,0,0,1|2,0,0]=4 3894 B9R1.89 CNC1CCCNCC1 270004a_106832991635_100015187895 [1,0,0,0,0,1|2,0,0]=4 3895 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [1,0,0,0,0,1|2,0,0]=4 3896 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [1,0,0,0,0,1|2,0,0]=4 3897 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [1,0,0,0,0,1|2,0,0]=4 3898 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [1,0,0,0,0,1|2,0,0]=4 3899 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [1,0,0,0,0,1|2,0,0]=4 3900 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [1,0,0,0,0,1|2,0,0]=4 3901 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [1,0,0,0,0,1|2,0,0]=4 3902 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [1,0,0,0,0,1|2,0,0]=4 3903 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [1,0,0,0,0,1|2,0,0]=4 3904 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [1,0,0,0,0,1|2,0,0]=4 3905 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [1,0,0,0,0,1|2,0,0]=4 3906 B11R1.91 C=C(C)CNC1CCCCC1 2230a_100000182618_100000748629 [0,0,0,0,0,2|2,0,0]=4 3907 B11R1.91 C=C(C)CNC1CCCCC1 34a_100000182618_100000748629 [0,0,0,0,0,2|2,0,0]=4 3908 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210231_100000748629 [0,0,0,0,0,2|2,0,0]=4 3909 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210245_100000210327 [0,0,0,0,0,2|2,0,0]=4 3910 B11R1.91 C=C(C)COC1CCCCC1 7a_100000210231_100000748629 [0,0,0,0,0,2|2,0,0]=4 3911 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000210327_100000211660 [0,0,0,0,0,2|2,0,0]=4 3912 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000748629_100000210327 [0,0,0,0,0,2|2,0,0]=4 3913 B11R1.91 C=C(F)CNC1CCCCC1 2230a_100000182618_100009893438 [0,0,0,0,0,2|2,0,0]=4 3914 B11R1.91 C=C(F)CNC1CCCCC1 34a_100000182618_100009893438 [0,0,0,0,0,2|2,0,0]=4 3915 B11R1.91 C=C(F)COC1CCCCC1 34a_100000210231_100009893438 [0,0,0,0,0,2|2,0,0]=4 3916 B11R1.91 C=C(F)COC1CCCCC1 34a_200010262243_100000210327 [0,0,0,0,0,2|2,0,0]=4 3917 B11R1.91 C=C(F)COC1CCCCC1 7a_100000210231_100000042424 [0,0,0,0,0,2|2,0,0]=4 3918 B11R1.91 C=C(F)CSC1CCCCC1 62a_100000042424_100000210327 [0,0,0,0,0,2|2,0,0]=4 3919 B11R1.91 C=C(F)CSC1CCCCC1 62a_100000210327_100000042424 [0,0,0,0,0,2|2,0,0]=4 3920 B11R1.91 CC(=O)C=CC1CCCCC1 1458a_100102566626_200000210301 [0,0,0,0,0,2|1,0,0]=3 3921 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [0,0,0,0,0,2|1,0,0]=3 3922 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [0,0,0,0,0,2|1,0,0]=3 3923 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [0,0,0,0,0,2|2,0,0]=4 3924 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [0,0,0,0,0,2|2,0,0]=4 3925 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [0,0,0,0,0,2|2,0,0]=4 3926 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [0,0,0,0,0,2|1,0,0]=3 3927 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [0,0,0,0,0,2|1,0,0]=3 3928 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [0,0,0,0,0,2|1,0,0]=3 3929 B11R1.91 CC(=O)COC1CCCOC1 34a_100000211253_100000693364 [0,0,0,0,0,2|2,0,0]=4 3930 B11R1.91 CC(=O)COC1CCSCC1 34a_100000211253_100000069128 [0,0,0,0,0,2|2,0,0]=4 3931 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [0,0,0,0,0,2|1,0,0]=3 3932 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [0,0,0,0,0,2|1,0,0]=3 3933 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [0,0,0,0,0,2|1,0,0]=3 3934 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [0,0,0,0,0,2|1,0,0]=3 3935 B11R1.91 CC(=O)NCC1CCCCO1 11a_100000174945_100015343762 [0,0,0,0,0,2|2,0,0]=4 3936 B11R1.91 CC(=O)NCC1CCCCO1 1626a_100000174945_100015343762 [0,0,0,0,0,2|2,0,0]=4 3937 B11R1.91 CC(=O)NCC1CCCCO1 240690a_100000174945_100015343762 [0,0,0,0,0,2|2,0,0]=4 3938 B11R1.91 CC(=O)NCC1CCCCO1 527a_100000174945_100103153847 [0,0,0,0,0,2|2,0,0]=4 3939 B11R1.91 CC(=O)NCC1CCCOC1 11a_100000720124_100015343762 [0,0,0,0,0,2|2,0,0]=4 3940 B11R1.91 CC(=O)NCC1CCCOC1 1626a_100000720124_100015343762 [0,0,0,0,0,2|2,0,0]=4 3941 B11R1.91 CC(=O)NCC1CCCOC1 240690a_100000720124_100015343762 [0,0,0,0,0,2|2,0,0]=4 3942 B11R1.91 CC(=O)NCC1CCCOC1 527a_100000720124_100103153847 [0,0,0,0,0,2|2,0,0]=4 3943 B11R1.91 CC(=O)NCC1CCOCC1 11a_100000746373_100015343762 [0,0,0,0,0,2|2,0,0]=4 3944 B11R1.91 CC(=O)NCC1CCOCC1 1626a_100000746373_100015343762 [0,0,0,0,0,2|2,0,0]=4 3945 B11R1.91 CC(=O)NCC1CCOCC1 240690a_100000746373_100015343762 [0,0,0,0,0,2|2,0,0]=4 3946 B11R1.91 CC(=O)NCC1CCOCC1 527a_100000746373_100103153847 [0,0,0,0,0,2|2,0,0]=4 3947 B11R1.91 CC(=O)NCC1CCSCC1 11a_100015188806_100015343762 [0,0,0,0,0,2|2,0,0]=4 3948 B11R1.91 CC(=O)NCC1CCSCC1 240690a_100015188806_100015343762 [0,0,0,0,0,2|2,0,0]=4 3949 B11R1.91 CC(=O)NCC1CCSCC1 527a_100015188806_100103153847 [0,0,0,0,0,2|2,0,0]=4 3950 B11R1.91 CC(=O)NN=C1CCCCC1 4a_100000189765_100000210434 [0,0,0,0,0,2|1,0,1]=4 3951 B11R1.91 CC(=O)NNC1CCCCC1 22a_100000709804_100000070787 [0,0,0,0,0,2|1,0,0]=3 3952 B11R1.91 CC(=O)NNC1CCOCC1 22a_100000687383_100000070787 [0,0,0,0,0,2|2,0,0]=4 3953 B11R1.91 CC(O)CNC1CCCCC1 2230a_100000182618_100011218427 [0,0,0,0,0,2|1,0,1]=4 3954 B11R1.91 CC(O)CNC1CCCCC1 270004a_100000210904_100000210434 [0,0,0,0,0,2|1,0,1]=4 3955 B11R1.91 CC(O)CNC1CCCCC1 34a_100000182618_100011218427 [0,0,0,0,0,2|1,0,1]=4 3956 B11R1.91 CC(O)CNC1CCCCC1 34a_100000210904_100000210327 [0,0,0,0,0,2|1,0,1]=4 3957 B11R1.91 CC(O)COC1CCCCC1 34a_100000210231_100011218427 [0,0,0,0,0,2|1,0,1]=4 3958 B11R1.91 CC(O)COC1CCCCC1 7a_100000210231_100011218427 [0,0,0,0,0,2|1,0,1]=4 3959 B11R1.91 CC(O)CSC1CCCCC1 62a_100000210327_100011218427 [0,0,0,0,0,2|1,0,1]=4 3960 B11R1.91 CC(O)CSC1CCCCC1 62a_100011218427_100000210327 [0,0,0,0,0,2|1,0,1]=4 3961 B11R1.91 C[C@@H](O)CNC1CCCCC1 2230a_100000182618_100009817552 [0,0,0,0,0,2|1,0,1]=4 3962 B11R1.91 C[C@@H](O)CNC1CCCCC1 34a_100000182618_100009817552 [0,0,0,0,0,2|1,0,1]=4 3963 B11R1.91 C[C@@H](O)COC1CCCCC1 34a_100000210231_100009817552 [0,0,0,0,0,2|1,0,1]=4 3964 B11R1.91 C[C@@H](O)COC1CCCCC1 7a_100000210231_100009817552 [0,0,0,0,0,2|1,0,1]=4 3965 B11R1.91 C[C@@H](O)CSC1CCCCC1 62a_100000210327_100009817552 [0,0,0,0,0,2|1,0,1]=4 3966 B11R1.91 C[C@@H](O)CSC1CCCCC1 62a_100009817552_100000210327 [0,0,0,0,0,2|1,0,1]=4 3967 B11R1.91 NC(=O)CNC1CCCCC1 2230a_100000182618_100000747473 [0,0,0,0,0,2|1,0,0]=3 3968 B11R1.91 NC(=O)CNC1CCCCC1 34a_100000182618_100000187820 [0,0,0,0,0,2|1,0,0]=3 3969 B11R1.91 NC(=O)CNC1CCCOC1 2230a_100000719290_100000747473 [0,0,0,0,0,2|2,0,0]=4 3970 B11R1.91 NC(=O)CNC1CCCOC1 34a_100000719290_100000187820 [0,0,0,0,0,2|2,0,0]=4 3971 B11R1.91 NC(=O)CNC1CCOCC1 2230a_100000741149_100000747473 [0,0,0,0,0,2|2,0,0]=4 3972 B11R1.91 NC(=O)CNC1CCOCC1 34a_100000741149_100000187820 [0,0,0,0,0,2|2,0,0]=4 3973 B11R1.91 NC(=O)CNC1CCSCC1 2230a_100000748639_100000747473 [0,0,0,0,0,2|2,0,0]=4 3974 B11R1.91 NC(=O)CNC1CCSCC1 34a_100000748639_100000187820 [0,0,0,0,0,2|2,0,0]=4 3975 B11R1.91 NC(=O)COC1CCCCC1 34a_100000210231_100000187820 [0,0,0,0,0,2|1,0,0]=3 3976 B11R1.91 NC(=O)COC1CCCCC1 7a_100000210231_100000187820 [0,0,0,0,0,2|1,0,0]=3 3977 B11R1.91 NC(=O)COC1CCCCO1 34a_100000033831_100000187820 [0,0,0,0,0,2|2,0,0]=4 3978 B11R1.91 NC(=O)COC1CCCOC1 34a_100000754041_100000187820 [0,0,0,0,0,2|2,0,0]=4 3979 B11R1.91 NC(=O)COC1CCCSC1 7a_100015962668_100000187820 [0,0,0,0,0,2|2,0,0]=4 3980 B11R1.91 NC(=O)COC1CCOCC1 34a_100000744328_100000187820 [0,0,0,0,0,2|2,0,0]=4 3981 B11R1.91 NC(=O)COC1CCSCC1 34a_100000731022_100000187820 [0,0,0,0,0,2|2,0,0]=4 3982 B11R1.91 NC(=O)COC1CCSCC1 7a_100000731022_100000187820 [0,0,0,0,0,2|2,0,0]=4 3983 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000210327_100000747473 [0,0,0,0,0,2|1,0,0]=3 3984 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000747473_100000210327 [0,0,0,0,0,2|1,0,0]=3 3985 B11R1.91 NC(=O)CSC1CCCOC1 62a_100000747473_100000693364 [0,0,0,0,0,2|2,0,0]=4 3986 B11R1.91 NC(=O)CSC1CCOCC1 62a_100000747473_100011324220 [0,0,0,0,0,2|2,0,0]=4 3987 B11R1.91 NC(=O)CSC1CCSCC1 62a_100000747473_100000069128 [0,0,0,0,0,2|2,0,0]=4 3988 B11R1.91 O=C(O)CNC1C=CCCC1 269956a_100016091260_100000751183 [0,0,0,0,0,2|0,0,2]=4 3989 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [0,0,0,0,0,2|0,0,0]=2 3990 B11R1.91 O=C(O)CNC1CCCOC1 269956a_100016091260_100000693364 [0,0,0,0,0,2|1,0,0]=3 3991 B11R1.91 O=C(O)CNC1CCOCC1 269956a_100016091260_100011324220 [0,0,0,0,0,2|1,0,0]=3 3992 B11R1.91 O=C(O)CNC1CCSCC1 269956a_100016091260_100000069128 [0,0,0,0,0,2|1,0,0]=3 3993 B11R1.91 O=C([O-])CNC1CCCCC1 34a_100000182618_100020667443 [0,0,0,0,0,2|0,0,1]=3 3994 B11R1.91 O=C([O-])CNC1CCCOC1 34a_100000719290_100020667443 [0,0,0,0,0,2|1,0,1]=4 3995 B11R1.91 O=C([O-])CNC1CCOCC1 34a_100000741149_100020667443 [0,0,0,0,0,2|1,0,1]=4 3996 B11R1.91 O=C([O-])CNC1CCSCC1 34a_100000748639_100020667443 [0,0,0,0,0,2|1,0,1]=4 3997 B11R1.91 O=C([O-])COC1CCCCC1 34a_100000210231_100020667443 [0,0,0,0,0,2|0,0,1]=3 3998 B11R1.91 O=C([O-])COC1CCCCO1 34a_100000033831_100020667443 [0,0,0,0,0,2|1,0,1]=4 3999 B11R1.91 O=C([O-])COC1CCCOC1 34a_100000754041_100020667443 [0,0,0,0,0,2|1,0,1]=4 4000 B11R1.91 O=C([O-])COC1CCOCC1 34a_100000744328_100020667443 [0,0,0,0,0,2|1,0,1]=4 4001 B11R1.91 O=C([O-])COC1CCSCC1 34a_100000731022_100020667443 [0,0,0,0,0,2|1,0,1]=4 4002 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100000210327_100020667443 [0,0,0,0,0,2|0,0,1]=3 4003 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100020667443_100000210327 [0,0,0,0,0,2|0,0,1]=3 4004 B11R1.91 O=C([O-])CSC1CCCOC1 62a_100020667443_100000693364 [0,0,0,0,0,2|1,0,1]=4 4005 B11R1.91 O=C([O-])CSC1CCOCC1 62a_100020667443_100011324220 [0,0,0,0,0,2|1,0,1]=4 4006 B11R1.91 O=C([O-])CSC1CCSCC1 62a_100020667443_100000069128 [0,0,0,0,0,2|1,0,1]=4 4007 B11R1.91 O=[N+]([O-])CNC1CCCCC1 34a_100000182618_100000761209 [0,0,0,0,0,2|1,0,1]=4 4008 B11R1.91 O=[N+]([O-])COC1CCCCC1 34a_100000210231_100000761209 [0,0,0,0,0,2|1,0,1]=4 4009 B11R1.91 O=[N+]([O-])CSC1CCCCC1 62a_100000210327_100000761209 [0,0,0,0,0,2|1,0,1]=4 4010 B11R1.91 [13CH3]C(=O)C=CC1CCCCC1 1458a_100102566626_200025704644 [0,0,0,0,0,2|1,0,0]=3 4011 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [0,0,0,0,0,2|1,0,0]=3 4012 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [0,0,0,0,0,2|2,0,0]=4 4013 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [0,0,0,0,0,2|1,0,0]=3 4014 B11R1.742 CC(=O)C=C1CCCCCC1 1458a_100011240665_200000210301 [0,0,0,0,0,2|1,0,1]=4 4015 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,0,0,0,0,2|1,0,0]=3 4016 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,0,0,0,0,2|1,0,0]=3 4017 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [0,0,0,0,0,2|2,0,0]=4 4018 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [0,0,0,0,0,2|1,0,0]=3 4019 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [0,0,0,0,0,2|1,0,0]=3 4020 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [0,0,0,0,0,2|1,0,0]=3 4021 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [0,0,0,0,0,2|1,0,0]=3 4022 B11R1.742 NC(=O)CN1CCCCCC1 2230a_100000185865_100000747473 [0,0,0,0,0,2|2,0,0]=4 4023 B11R1.742 NC(=O)CN1CCCCCC1 269982a_100000185865_100000187820 [0,0,0,0,0,2|2,0,0]=4 4024 B11R1.742 NC(=O)CN1CCCCCC1 34a_100000185865_100000187820 [0,0,0,0,0,2|2,0,0]=4 4025 B11R1.742 NC(=O)CN1CCCOCC1 2230a_100000685342_100000747473 [0,0,0,0,0,2|2,0,0]=4 4026 B11R1.742 NC(=O)CN1CCCOCC1 269982a_100000685342_100000187820 [0,0,0,0,0,2|2,0,0]=4 4027 B11R1.742 NC(=O)CN1CCCOCC1 34a_100000685342_100000187820 [0,0,0,0,0,2|2,0,0]=4 4028 B11R1.742 O=C([O-])CN1CCCCCC1 269982a_100000185865_100020667443 [0,0,0,0,0,2|1,0,1]=4 4029 B11R1.742 O=C([O-])CN1CCCCCC1 34a_100000185865_100020667443 [0,0,0,0,0,2|1,0,1]=4 4030 B11R1.742 O=C([O-])CN1CCCOCC1 269982a_100000685342_100020667443 [0,0,0,0,0,2|1,0,1]=4 4031 B11R1.742 O=C([O-])CN1CCCOCC1 34a_100000685342_100020667443 [0,0,0,0,0,2|1,0,1]=4 4032 B11R1.742 [13CH3]C(=O)C=C1CCCCCC1 1458a_100011240665_200025704644 [0,0,0,0,0,2|1,0,1]=4 4033 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,0,0,0,0,2|1,0,0]=3 4034 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [0,0,0,0,0,2|2,0,0]=4 4035 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [0,0,0,0,0,2|1,0,0]=3 4036 B11R1.706 CC(=O)N1CCCCCCC1 11a_100000211400_100015343762 [0,0,0,0,0,2|2,0,0]=4 4037 B11R1.706 CC(=O)N1CCCCCCC1 1626a_100000211400_100015343762 [0,0,0,0,0,2|2,0,0]=4 4038 B11R1.706 CC(=O)N1CCCCCCC1 240690a_100000211400_100015343762 [0,0,0,0,0,2|2,0,0]=4 4039 B11R1.706 CC(=O)N1CCCCCCC1 527a_100000211400_100103153847 [0,0,0,0,0,2|2,0,0]=4